NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
645757 | 6tr8 | 28052 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H1 MET 1 -5.781 26.687 32.030 2 HA MET 1 HA MET 1 -7.369 25.694 30.651 3 HB2 MET 1 HB3 MET 1 -9.797 25.968 31.056 4 HB3 MET 1 HB2 MET 1 -8.999 25.163 32.403 5 HG2 MET 1 HG3 MET 1 -8.909 27.311 33.633 6 HG3 MET 1 HG2 MET 1 -9.721 28.111 32.287 7 HE1 MET 1 HE1 MET 1 -13.035 26.346 31.971 8 HE2 MET 1 HE2 MET 1 -11.616 26.990 31.151 9 HE3 MET 1 HE3 MET 1 -12.620 28.058 32.125 10 H THR 2 H THR 2 -6.004 28.362 31.022 11 HA THR 2 HA THR 2 -7.754 30.300 29.763 12 HB THR 2 HB THR 2 -5.772 31.761 29.777 13 HG1 THR 2 HG1 THR 2 -4.228 30.137 29.387 14 HG21 THR 2 HG21 THR 2 -6.254 30.227 32.345 15 HG22 THR 2 HG22 THR 2 -7.091 31.685 31.813 16 HG23 THR 2 HG23 THR 2 -5.385 31.758 32.252 17 H ASN 3 H ASN 3 -6.945 31.465 27.773 18 HA ASN 3 HA ASN 3 -6.837 29.701 25.576 19 HB2 ASN 3 HB3 ASN 3 -7.622 32.117 25.590 20 HB3 ASN 3 HB2 ASN 3 -5.926 32.585 25.589 21 HD21 ASN 3 HD21 ASN 3 -6.129 33.552 23.458 22 HD22 ASN 3 HD22 ASN 3 -6.285 32.596 22.069 23 H PHE 4 H PHE 4 -5.194 28.500 24.877 24 HA PHE 4 HA PHE 4 -2.508 28.912 25.861 25 HB2 PHE 4 HB3 PHE 4 -3.687 26.885 23.957 26 HB3 PHE 4 HB2 PHE 4 -2.005 26.880 24.491 27 HD1 PHE 4 HD1 PHE 4 -5.520 26.480 25.564 28 HD2 PHE 4 HD2 PHE 4 -1.400 26.248 26.752 29 HE1 PHE 4 HE1 PHE 4 -6.185 25.299 27.640 30 HE2 PHE 4 HE2 PHE 4 -2.064 25.071 28.829 31 HZ PHE 4 HZ PHE 4 -4.457 24.595 29.274 32 H LYS 5 H LYS 5 -4.244 29.993 23.133 33 HA LYS 5 HA LYS 5 -2.248 30.021 21.133 34 HB2 LYS 5 HB3 LYS 5 -4.530 31.979 21.522 35 HB3 LYS 5 HB2 LYS 5 -3.650 31.693 20.026 36 HG2 LYS 5 HG3 LYS 5 -5.255 29.574 21.484 37 HG3 LYS 5 HG2 LYS 5 -5.870 30.520 20.133 38 HD2 LYS 5 HD3 LYS 5 -4.259 29.568 18.623 39 HD3 LYS 5 HD2 LYS 5 -3.372 28.814 19.947 40 HE2 LYS 5 HE3 LYS 5 -4.741 27.110 18.933 41 HE3 LYS 5 HE2 LYS 5 -5.439 27.515 20.505 42 HZ1 LYS 5 HZ1 LYS 5 -6.362 29.009 18.163 43 HZ2 LYS 5 HZ2 LYS 5 -7.209 28.556 19.564 44 HZ3 LYS 5 HZ3 LYS 5 -6.906 27.413 18.343 45 H LEU 6 H LEU 6 -3.036 32.232 23.736 46 HA LEU 6 HA LEU 6 -1.380 34.385 22.845 47 HB2 LEU 6 HB3 LEU 6 -2.527 33.829 25.593 48 HB3 LEU 6 HB2 LEU 6 -1.859 35.363 25.045 49 HG LEU 6 HG LEU 6 -4.265 33.973 23.813 50 HD11 LEU 6 HD11 LEU 6 -4.255 36.524 25.432 51 HD12 LEU 6 HD12 LEU 6 -4.520 34.942 26.168 52 HD13 LEU 6 HD13 LEU 6 -5.639 35.545 24.945 53 HD21 LEU 6 HD21 LEU 6 -4.549 36.351 22.801 54 HD22 LEU 6 HD22 LEU 6 -3.318 35.303 22.097 55 HD23 LEU 6 HD23 LEU 6 -2.849 36.580 23.221 56 H ILE 7 H ILE 7 -0.632 31.413 24.346 57 HA ILE 7 HA ILE 7 1.489 32.136 26.055 58 HB ILE 7 HB ILE 7 1.085 29.588 24.461 59 HG12 ILE 7 HG13 ILE 7 0.447 30.176 27.367 60 HG13 ILE 7 HG12 ILE 7 -0.745 30.278 26.076 61 HG21 ILE 7 HG21 ILE 7 2.940 30.291 26.762 62 HG22 ILE 7 HG22 ILE 7 3.385 29.644 25.184 63 HG23 ILE 7 HG23 ILE 7 2.536 28.625 26.344 64 HD11 ILE 7 HD11 ILE 7 -0.704 28.066 27.318 65 HD12 ILE 7 HD12 ILE 7 0.894 27.794 26.621 66 HD13 ILE 7 HD13 ILE 7 -0.514 27.939 25.569 67 H THR 8 H THR 8 3.658 32.347 25.741 68 HA THR 8 HA THR 8 4.525 33.207 23.119 69 HB THR 8 HB THR 8 6.610 33.806 24.288 70 HG1 THR 8 HG1 THR 8 7.035 33.043 26.188 71 HG21 THR 8 HG21 THR 8 5.609 35.444 25.904 72 HG22 THR 8 HG22 THR 8 4.054 34.643 25.675 73 HG23 THR 8 HG23 THR 8 4.836 35.454 24.318 74 H ASP 9 H ASP 9 6.610 32.434 22.241 75 HA ASP 9 HA ASP 9 6.569 29.651 21.842 76 HB2 ASP 9 HB3 ASP 9 8.664 31.741 21.238 77 HB3 ASP 9 HB2 ASP 9 8.837 30.056 20.765 78 H THR 10 H THR 10 8.573 31.689 23.938 79 HA THR 10 HA THR 10 10.399 29.700 24.766 80 HB THR 10 HB THR 10 9.436 32.141 26.294 81 HG1 THR 10 HG1 THR 10 11.699 31.767 24.627 82 HG21 THR 10 HG21 THR 10 12.105 30.736 26.540 83 HG22 THR 10 HG22 THR 10 10.738 30.304 27.567 84 HG23 THR 10 HG23 THR 10 11.403 31.937 27.623 85 H GLU 11 H GLU 11 7.292 30.771 26.123 86 HA GLU 11 HA GLU 11 7.285 29.161 28.427 87 HB2 GLU 11 HB3 GLU 11 5.042 30.244 26.729 88 HB3 GLU 11 HB2 GLU 11 4.764 29.389 28.239 89 HG2 GLU 11 HG3 GLU 11 6.553 31.818 28.013 90 HG3 GLU 11 HG2 GLU 11 4.845 31.922 28.424 91 H TRP 12 H TRP 12 6.233 28.485 25.102 92 HA TRP 12 HA TRP 12 5.073 25.951 25.617 93 HB2 TRP 12 HB3 TRP 12 6.172 27.292 23.166 94 HB3 TRP 12 HB2 TRP 12 5.711 25.595 23.108 95 HD1 TRP 12 HD1 TRP 12 4.305 28.942 22.658 96 HE1 TRP 12 HE1 TRP 12 1.729 28.852 22.634 97 HE3 TRP 12 HE3 TRP 12 3.574 24.259 24.550 98 HZ2 TRP 12 HZ2 TRP 12 -0.368 27.028 23.328 99 HZ3 TRP 12 HZ3 TRP 12 1.285 23.373 24.856 100 HH2 TRP 12 HH2 TRP 12 -0.685 24.743 24.247 101 H ARG 13 H ARG 13 8.381 26.942 24.796 102 HA ARG 13 HA ARG 13 9.461 24.350 24.425 103 HB2 ARG 13 HB3 ARG 13 10.741 26.963 25.245 104 HB3 ARG 13 HB2 ARG 13 11.658 25.494 24.908 105 HG2 ARG 13 HG3 ARG 13 10.755 25.412 22.637 106 HG3 ARG 13 HG2 ARG 13 9.747 26.821 22.966 107 HD2 ARG 13 HD3 ARG 13 11.747 27.524 21.759 108 HD3 ARG 13 HD2 ARG 13 11.798 28.157 23.402 109 HE ARG 13 HE ARG 13 13.124 25.635 23.257 110 HH11 ARG 13 HH11 ARG 13 13.544 29.012 22.418 111 HH12 ARG 13 HH12 ARG 13 15.272 28.937 22.503 112 HH21 ARG 13 HH21 ARG 13 15.372 25.584 23.359 113 HH22 ARG 13 HH22 ARG 13 16.297 27.011 23.031 114 H GLN 14 H GLN 14 9.137 26.421 27.255 115 HA GLN 14 HA GLN 14 10.373 24.419 28.995 116 HB2 GLN 14 HB3 GLN 14 9.895 26.175 30.801 117 HB3 GLN 14 HB2 GLN 14 11.078 26.595 29.568 118 HG2 GLN 14 HG3 GLN 14 9.857 28.338 28.842 119 HG3 GLN 14 HG2 GLN 14 8.382 27.394 28.764 120 HE21 GLN 14 HE21 GLN 14 8.666 30.150 29.740 121 HE22 GLN 14 HE22 GLN 14 8.132 30.137 31.348 122 H ARG 15 H ARG 15 7.466 24.487 27.662 123 HA ARG 15 HA ARG 15 5.928 23.846 30.098 124 HB2 ARG 15 HB3 ARG 15 5.257 24.883 27.391 125 HB3 ARG 15 HB2 ARG 15 4.075 23.808 28.129 126 HG2 ARG 15 HG3 ARG 15 3.785 25.250 29.999 127 HG3 ARG 15 HG2 ARG 15 5.209 26.206 29.587 128 HD2 ARG 15 HD3 ARG 15 4.126 27.016 27.572 129 HD3 ARG 15 HD2 ARG 15 2.735 25.976 27.853 130 HE ARG 15 HE ARG 15 3.358 28.476 29.226 131 HH11 ARG 15 HH11 ARG 15 1.430 25.547 29.225 132 HH12 ARG 15 HH12 ARG 15 0.211 26.214 30.258 133 HH21 ARG 15 HH21 ARG 15 1.748 29.300 30.565 134 HH22 ARG 15 HH22 ARG 15 0.391 28.320 31.009 135 H LEU 16 H LEU 16 6.819 22.617 26.907 136 HA LEU 16 HA LEU 16 6.151 19.897 27.810 137 HB2 LEU 16 HB3 LEU 16 5.392 19.568 25.298 138 HB3 LEU 16 HB2 LEU 16 4.274 20.149 26.515 139 HG LEU 16 HG LEU 16 4.878 22.523 25.777 140 HD11 LEU 16 HD11 LEU 16 5.928 22.777 23.582 141 HD12 LEU 16 HD12 LEU 16 6.123 21.028 23.455 142 HD13 LEU 16 HD13 LEU 16 7.012 21.929 24.684 143 HD21 LEU 16 HD21 LEU 16 2.819 22.065 24.910 144 HD22 LEU 16 HD22 LEU 16 3.313 20.515 24.236 145 HD23 LEU 16 HD23 LEU 16 3.678 22.010 23.375 146 H SER 17 H SER 17 6.852 18.282 26.037 147 HA SER 17 HA SER 17 9.647 18.235 25.948 148 HB2 SER 17 HB3 SER 17 7.983 16.302 25.723 149 HB3 SER 17 HB2 SER 17 7.850 16.762 24.026 150 HG SER 17 HG SER 17 10.286 16.183 25.370 151 H SER 18 H SER 18 11.069 18.289 24.110 152 HA SER 18 HA SER 18 10.791 20.581 22.512 153 HB2 SER 18 HB3 SER 18 12.590 18.175 22.188 154 HB3 SER 18 HB2 SER 18 12.734 19.647 21.232 155 HG SER 18 HG SER 18 14.008 19.380 23.300 156 H GLU 19 H GLU 19 10.153 17.175 21.850 157 HA GLU 19 HA GLU 19 9.539 17.503 19.093 158 HB2 GLU 19 HB3 GLU 19 8.334 15.275 19.400 159 HB3 GLU 19 HB2 GLU 19 10.054 15.291 19.767 160 HG2 GLU 19 HG3 GLU 19 8.259 15.883 22.066 161 HG3 GLU 19 HG2 GLU 19 8.156 14.249 21.427 162 H GLU 20 H GLU 20 7.553 17.556 22.031 163 HA GLU 20 HA GLU 20 5.019 17.722 20.862 164 HB2 GLU 20 HB3 GLU 20 6.107 18.840 23.453 165 HB3 GLU 20 HB2 GLU 20 4.399 18.867 23.021 166 HG2 GLU 20 HG3 GLU 20 6.032 16.321 23.068 167 HG3 GLU 20 HG2 GLU 20 5.149 16.907 24.471 168 H TYR 21 H TYR 21 7.441 20.203 21.591 169 HA TYR 21 HA TYR 21 5.888 22.497 21.188 170 HB2 TYR 21 HB3 TYR 21 8.124 22.524 22.201 171 HB3 TYR 21 HB2 TYR 21 8.846 22.034 20.674 172 HD1 TYR 21 HD1 TYR 21 7.425 24.823 22.591 173 HD2 TYR 21 HD2 TYR 21 8.883 23.582 18.744 174 HE1 TYR 21 HE1 TYR 21 7.585 27.195 21.878 175 HE2 TYR 21 HE2 TYR 21 9.046 25.952 18.039 176 HH TYR 21 HH TYR 21 7.565 28.303 19.152 177 H ARG 22 H ARG 22 8.017 20.827 18.785 178 HA ARG 22 HA ARG 22 7.153 22.552 16.654 179 HB2 ARG 22 HB3 ARG 22 8.582 21.277 15.221 180 HB3 ARG 22 HB2 ARG 22 9.413 21.440 16.762 181 HG2 ARG 22 HG3 ARG 22 8.642 19.154 17.395 182 HG3 ARG 22 HG2 ARG 22 7.869 18.998 15.809 183 HD2 ARG 22 HD3 ARG 22 10.823 19.544 16.220 184 HD3 ARG 22 HD2 ARG 22 10.143 17.948 15.913 185 HE ARG 22 HE ARG 22 9.207 19.609 13.881 186 HH11 ARG 22 HH11 ARG 22 12.318 18.465 15.022 187 HH12 ARG 22 HH12 ARG 22 13.053 18.552 13.456 188 HH21 ARG 22 HH21 ARG 22 10.202 19.706 11.865 189 HH22 ARG 22 HH22 ARG 22 11.863 19.249 11.684 190 H VAL 23 H VAL 23 6.391 19.288 17.663 191 HA VAL 23 HA VAL 23 4.802 18.512 15.487 192 HB VAL 23 HB VAL 23 4.927 17.637 18.379 193 HG11 VAL 23 HG11 VAL 23 3.285 16.532 16.101 194 HG12 VAL 23 HG12 VAL 23 2.770 16.913 17.745 195 HG13 VAL 23 HG13 VAL 23 3.802 15.514 17.448 196 HG21 VAL 23 HG21 VAL 23 5.888 16.309 15.829 197 HG22 VAL 23 HG22 VAL 23 6.240 15.808 17.482 198 HG23 VAL 23 HG23 VAL 23 6.907 17.314 16.854 199 H LEU 24 H LEU 24 3.884 19.999 18.588 200 HA LEU 24 HA LEU 24 1.093 20.093 18.001 201 HB2 LEU 24 HB3 LEU 24 2.792 21.548 20.038 202 HB3 LEU 24 HB2 LEU 24 1.036 21.681 19.963 203 HG LEU 24 HG LEU 24 2.468 19.018 20.199 204 HD11 LEU 24 HD11 LEU 24 3.052 20.234 22.173 205 HD12 LEU 24 HD12 LEU 24 1.717 19.173 22.623 206 HD13 LEU 24 HD13 LEU 24 1.423 20.889 22.335 207 HD21 LEU 24 HD21 LEU 24 0.232 18.732 19.420 208 HD22 LEU 24 HD22 LEU 24 -0.395 19.959 20.518 209 HD23 LEU 24 HD23 LEU 24 0.159 18.407 21.151 210 H ARG 25 H ARG 25 3.779 22.351 17.610 211 HA ARG 25 HA ARG 25 2.262 24.654 17.086 212 HB2 ARG 25 HB3 ARG 25 4.654 24.665 17.693 213 HB3 ARG 25 HB2 ARG 25 5.047 23.999 16.110 214 HG2 ARG 25 HG3 ARG 25 4.074 25.990 15.024 215 HG3 ARG 25 HG2 ARG 25 3.656 26.653 16.604 216 HD2 ARG 25 HD3 ARG 25 6.049 26.657 17.227 217 HD3 ARG 25 HD2 ARG 25 6.459 26.022 15.636 218 HE ARG 25 HE ARG 25 5.695 28.751 16.274 219 HH11 ARG 25 HH11 ARG 25 6.006 26.350 13.739 220 HH12 ARG 25 HH12 ARG 25 6.100 27.530 12.475 221 HH21 ARG 25 HH21 ARG 25 5.823 30.249 14.601 222 HH22 ARG 25 HH22 ARG 25 5.998 29.720 12.962 223 H GLU 26 H GLU 26 3.795 22.405 14.739 224 HA GLU 26 HA GLU 26 1.881 23.394 12.715 225 HB2 GLU 26 HB3 GLU 26 3.705 23.422 11.043 226 HB3 GLU 26 HB2 GLU 26 3.973 24.571 12.352 227 HG2 GLU 26 HG3 GLU 26 5.449 22.903 13.478 228 HG3 GLU 26 HG2 GLU 26 5.228 21.815 12.112 229 H ALA 27 H ALA 27 2.243 20.741 14.305 230 HA ALA 27 HA ALA 27 1.984 18.480 13.866 231 HB1 ALA 27 HB1 ALA 27 0.731 19.860 11.560 232 HB2 ALA 27 HB2 ALA 27 0.074 18.617 12.623 233 HB3 ALA 27 HB3 ALA 27 1.140 18.165 11.298 234 H GLY 28 H GLY 28 4.511 19.298 13.811 235 HA2 GLY 28 HA3 GLY 28 6.046 18.988 11.506 236 HA3 GLY 28 HA2 GLY 28 6.629 18.741 13.142 237 H THR 29 H THR 29 5.033 16.549 13.898 238 HA THR 29 HA THR 29 4.898 14.397 12.118 239 HB THR 29 HB THR 29 7.115 13.291 13.374 240 HG1 THR 29 HG1 THR 29 8.294 14.872 14.011 241 HG21 THR 29 HG21 THR 29 7.772 14.653 10.835 242 HG22 THR 29 HG22 THR 29 6.322 13.650 10.773 243 HG23 THR 29 HG23 THR 29 7.863 12.946 11.256 244 H GLU 30 H GLU 30 5.337 12.203 13.538 245 HA GLU 30 HA GLU 30 4.530 12.575 16.308 246 HB2 GLU 30 HB3 GLU 30 2.537 11.122 16.067 247 HB3 GLU 30 HB2 GLU 30 2.373 12.617 15.161 248 HG2 GLU 30 HG3 GLU 30 3.535 10.295 13.680 249 HG3 GLU 30 HG2 GLU 30 1.829 10.196 14.093 250 H ALA 31 H ALA 31 6.866 11.739 15.940 251 HA ALA 31 HA ALA 31 6.969 8.823 15.605 252 HB1 ALA 31 HB1 ALA 31 8.699 9.771 14.376 253 HB2 ALA 31 HB2 ALA 31 9.504 9.352 15.889 254 HB3 ALA 31 HB3 ALA 31 9.011 11.018 15.583 255 HA PRO 32 HA PRO 32 6.989 8.626 20.147 256 HB2 PRO 32 HB3 PRO 32 6.946 5.917 20.362 257 HB3 PRO 32 HB2 PRO 32 5.508 6.869 19.933 258 HG2 PRO 32 HG3 PRO 32 7.390 5.408 18.125 259 HG3 PRO 32 HG2 PRO 32 5.622 5.402 18.134 260 HD2 PRO 32 HD3 PRO 32 7.011 6.906 16.416 261 HD3 PRO 32 HD2 PRO 32 5.469 7.459 17.111 262 H HIS 33 H HIS 33 8.308 6.847 21.637 263 HA HIS 33 HA HIS 33 10.347 6.271 22.493 264 HB2 HIS 33 HB3 HIS 33 11.067 6.032 19.563 265 HB3 HIS 33 HB2 HIS 33 12.096 5.494 20.890 266 HD1 HIS 33 HD1 HIS 33 11.331 3.408 22.236 267 HD2 HIS 33 HD2 HIS 33 8.745 4.441 19.140 268 HE1 HIS 33 HE1 HIS 33 9.737 1.459 21.955 269 HE2 HIS 33 HE2 HIS 33 8.157 2.071 20.064 270 H THR 34 H THR 34 9.697 9.048 22.136 271 HA THR 34 HA THR 34 12.377 10.241 21.736 272 HB THR 34 HB THR 34 11.181 12.387 21.406 273 HG1 THR 34 HG1 THR 34 9.294 12.119 22.442 274 HG21 THR 34 HG21 THR 34 11.770 11.090 19.440 275 HG22 THR 34 HG22 THR 34 10.167 11.786 19.198 276 HG23 THR 34 HG23 THR 34 10.334 10.084 19.630 277 H GLY 35 H GLY 35 10.659 9.067 24.203 278 HA2 GLY 35 HA3 GLY 35 11.872 10.834 26.146 279 HA3 GLY 35 HA2 GLY 35 10.109 10.839 26.152 280 H GLU 36 H GLU 36 12.437 9.690 27.889 281 HA GLU 36 HA GLU 36 11.855 6.862 27.982 282 HB2 GLU 36 HB3 GLU 36 13.519 6.812 29.741 283 HB3 GLU 36 HB2 GLU 36 14.077 7.808 28.401 284 HG2 GLU 36 HG3 GLU 36 13.366 9.845 29.616 285 HG3 GLU 36 HG2 GLU 36 12.867 8.841 30.975 286 H TYR 37 H TYR 37 10.696 9.692 29.549 287 HA TYR 37 HA TYR 37 9.669 8.449 31.920 288 HB2 TYR 37 HB3 TYR 37 9.102 11.115 30.618 289 HB3 TYR 37 HB2 TYR 37 8.426 10.618 32.170 290 HD1 TYR 37 HD1 TYR 37 11.475 11.609 30.374 291 HD2 TYR 37 HD2 TYR 37 9.863 10.305 34.136 292 HE1 TYR 37 HE1 TYR 37 13.572 12.291 31.509 293 HE2 TYR 37 HE2 TYR 37 11.960 10.987 35.271 294 HH TYR 37 HH TYR 37 14.344 11.342 34.667 295 H THR 38 H THR 38 8.485 8.669 28.677 296 HA THR 38 HA THR 38 5.712 8.678 29.076 297 HB THR 38 HB THR 38 6.724 8.931 26.856 298 HG1 THR 38 HG1 THR 38 5.175 6.568 26.916 299 HG21 THR 38 HG21 THR 38 7.949 7.292 25.757 300 HG22 THR 38 HG22 THR 38 7.206 5.979 26.667 301 HG23 THR 38 HG23 THR 38 8.444 6.982 27.422 302 H ASN 39 H ASN 39 4.452 7.325 30.162 303 HA ASN 39 HA ASN 39 5.115 4.445 30.190 304 HB2 ASN 39 HB3 ASN 39 4.142 6.056 32.561 305 HB3 ASN 39 HB2 ASN 39 4.439 4.318 32.539 306 HD21 ASN 39 HD21 ASN 39 6.849 3.932 31.431 307 HD22 ASN 39 HD22 ASN 39 8.063 4.848 32.185 308 H THR 40 H THR 40 3.481 3.180 29.608 309 HA THR 40 HA THR 40 0.717 4.234 29.759 310 HB THR 40 HB THR 40 0.247 2.988 27.657 311 HG1 THR 40 HG1 THR 40 2.139 2.364 26.461 312 HG21 THR 40 HG21 THR 40 1.464 4.564 26.162 313 HG22 THR 40 HG22 THR 40 2.465 5.049 27.530 314 HG23 THR 40 HG23 THR 40 0.733 5.376 27.546 315 H THR 41 H THR 41 2.377 2.358 31.508 316 HA THR 41 HA THR 41 1.497 -0.297 31.229 317 HB THR 41 HB THR 41 2.243 1.207 33.759 318 HG1 THR 41 HG1 THR 41 3.803 1.154 32.029 319 HG21 THR 41 HG21 THR 41 1.114 -0.922 34.253 320 HG22 THR 41 HG22 THR 41 2.836 -1.049 34.611 321 HG23 THR 41 HG23 THR 41 2.187 -1.764 33.135 322 H THR 42 H THR 42 0.121 2.414 33.098 323 HA THR 42 HA THR 42 -2.174 0.801 33.894 324 HB THR 42 HB THR 42 -1.684 3.746 34.390 325 HG1 THR 42 HG1 THR 42 -0.758 3.083 36.300 326 HG21 THR 42 HG21 THR 42 -4.016 2.749 34.690 327 HG22 THR 42 HG22 THR 42 -3.323 3.524 36.112 328 HG23 THR 42 HG23 THR 42 -3.321 1.768 35.980 329 H GLU 43 H GLU 43 -4.264 1.094 33.176 330 HA GLU 43 HA GLU 43 -4.557 2.643 30.681 331 HB2 GLU 43 HB3 GLU 43 -6.043 0.227 31.738 332 HB3 GLU 43 HB2 GLU 43 -6.557 1.143 30.321 333 HG2 GLU 43 HG3 GLU 43 -4.480 0.658 29.174 334 HG3 GLU 43 HG2 GLU 43 -3.804 -0.087 30.617 335 H GLY 44 H GLY 44 -5.280 4.597 31.244 336 HA2 GLY 44 HA3 GLY 44 -7.763 4.730 32.828 337 HA3 GLY 44 HA2 GLY 44 -6.409 5.777 33.220 338 H ILE 45 H ILE 45 -6.221 7.661 32.242 339 HA ILE 45 HA ILE 45 -7.921 8.201 29.877 340 HB ILE 45 HB ILE 45 -7.385 9.995 32.262 341 HG12 ILE 45 HG13 ILE 45 -10.101 8.985 31.389 342 HG13 ILE 45 HG12 ILE 45 -9.076 7.952 32.379 343 HG21 ILE 45 HG21 ILE 45 -8.790 11.630 31.204 344 HG22 ILE 45 HG22 ILE 45 -9.274 10.497 29.943 345 HG23 ILE 45 HG23 ILE 45 -7.625 11.128 29.974 346 HD11 ILE 45 HD11 ILE 45 -9.613 10.809 33.172 347 HD12 ILE 45 HD12 ILE 45 -9.063 9.461 34.175 348 HD13 ILE 45 HD13 ILE 45 -10.731 9.511 33.597 349 H TYR 46 H TYR 46 -6.970 9.142 28.227 350 HA TYR 46 HA TYR 46 -4.151 9.610 28.187 351 HB2 TYR 46 HB3 TYR 46 -6.336 10.194 26.189 352 HB3 TYR 46 HB2 TYR 46 -4.626 10.456 25.862 353 HD1 TYR 46 HD1 TYR 46 -7.257 7.963 26.355 354 HD2 TYR 46 HD2 TYR 46 -3.074 8.583 25.695 355 HE1 TYR 46 HE1 TYR 46 -6.990 5.552 25.805 356 HE2 TYR 46 HE2 TYR 46 -2.793 6.181 25.138 357 HH TYR 46 HH TYR 46 -4.049 4.301 24.447 358 H SER 47 H SER 47 -3.053 11.597 28.040 359 HA SER 47 HA SER 47 -4.661 14.008 28.281 360 HB2 SER 47 HB3 SER 47 -3.310 14.836 30.187 361 HB3 SER 47 HB2 SER 47 -4.303 13.440 30.587 362 HG SER 47 HG SER 47 -2.005 13.409 31.249 363 H CYS 48 H CYS 48 -3.970 15.551 27.068 364 HA CYS 48 HA CYS 48 -1.774 15.419 25.338 365 HB2 CYS 48 HB3 CYS 48 -3.841 16.841 25.091 366 HB3 CYS 48 HB2 CYS 48 -3.220 17.896 26.342 367 H ARG 49 H ARG 49 0.348 15.767 25.716 368 HA ARG 49 HA ARG 49 1.358 16.345 28.288 369 HB2 ARG 49 HB3 ARG 49 2.459 15.300 26.065 370 HB3 ARG 49 HB2 ARG 49 3.043 16.952 25.892 371 HG2 ARG 49 HG3 ARG 49 3.367 15.382 28.460 372 HG3 ARG 49 HG2 ARG 49 4.568 15.341 27.173 373 HD2 ARG 49 HD3 ARG 49 4.451 17.962 27.350 374 HD3 ARG 49 HD2 ARG 49 3.766 17.635 28.941 375 HE ARG 49 HE ARG 49 6.222 16.197 28.386 376 HH11 ARG 49 HH11 ARG 49 4.827 19.134 29.694 377 HH12 ARG 49 HH12 ARG 49 6.223 19.507 30.649 378 HH21 ARG 49 HH21 ARG 49 8.017 16.726 29.635 379 HH22 ARG 49 HH22 ARG 49 8.013 18.153 30.615 380 H ALA 50 H ALA 50 0.560 18.352 25.541 381 HA ALA 50 HA ALA 50 1.907 20.715 26.179 382 HB1 ALA 50 HB1 ALA 50 -0.792 20.869 24.932 383 HB2 ALA 50 HB2 ALA 50 0.430 19.894 24.114 384 HB3 ALA 50 HB3 ALA 50 0.736 21.601 24.419 385 H CYS 51 H CYS 51 -1.486 19.835 26.948 386 HA CYS 51 HA CYS 51 -1.464 21.984 28.990 387 HB2 CYS 51 HB3 CYS 51 -4.061 21.865 28.585 388 HB3 CYS 51 HB2 CYS 51 -3.033 22.817 27.522 389 H GLY 52 H GLY 52 -2.603 18.741 28.205 390 HA2 GLY 52 HA3 GLY 52 -2.570 16.978 29.833 391 HA3 GLY 52 HA2 GLY 52 -2.812 18.180 31.093 392 H THR 53 H THR 53 -4.652 18.227 28.108 393 HA THR 53 HA THR 53 -7.125 18.066 29.605 394 HB THR 53 HB THR 53 -7.688 17.838 26.823 395 HG1 THR 53 HG1 THR 53 -5.474 18.361 26.520 396 HG21 THR 53 HG21 THR 53 -8.560 19.384 28.862 397 HG22 THR 53 HG22 THR 53 -8.884 19.724 27.167 398 HG23 THR 53 HG23 THR 53 -7.557 20.546 27.989 399 H GLU 54 H GLU 54 -8.838 16.528 29.253 400 HA GLU 54 HA GLU 54 -7.816 13.824 29.020 401 HB2 GLU 54 HB3 GLU 54 -10.659 14.772 29.463 402 HB3 GLU 54 HB2 GLU 54 -10.073 13.118 29.627 403 HG2 GLU 54 HG3 GLU 54 -8.509 13.882 31.408 404 HG3 GLU 54 HG2 GLU 54 -9.208 15.494 31.282 405 H LEU 55 H LEU 55 -7.147 14.288 26.791 406 HA LEU 55 HA LEU 55 -8.866 14.693 24.620 407 HB2 LEU 55 HB3 LEU 55 -6.138 13.524 25.020 408 HB3 LEU 55 HB2 LEU 55 -6.887 13.365 23.439 409 HG LEU 55 HG LEU 55 -7.177 15.856 23.382 410 HD11 LEU 55 HD11 LEU 55 -7.312 16.266 25.769 411 HD12 LEU 55 HD12 LEU 55 -6.056 17.250 25.033 412 HD13 LEU 55 HD13 LEU 55 -5.618 15.811 25.947 413 HD21 LEU 55 HD21 LEU 55 -4.766 16.439 23.220 414 HD22 LEU 55 HD22 LEU 55 -5.189 14.959 22.355 415 HD23 LEU 55 HD23 LEU 55 -4.388 14.868 23.926 416 H PHE 56 H PHE 56 -7.742 11.628 26.013 417 HA PHE 56 HA PHE 56 -10.009 10.281 24.731 418 HB2 PHE 56 HB3 PHE 56 -7.121 9.423 24.486 419 HB3 PHE 56 HB2 PHE 56 -8.483 8.367 24.122 420 HD1 PHE 56 HD1 PHE 56 -6.558 11.312 23.073 421 HD2 PHE 56 HD2 PHE 56 -9.979 8.855 22.230 422 HE1 PHE 56 HE1 PHE 56 -6.742 12.339 20.822 423 HE2 PHE 56 HE2 PHE 56 -10.163 9.881 19.980 424 HZ PHE 56 HZ PHE 56 -8.544 11.623 19.276 425 H ARG 57 H ARG 57 -10.560 8.240 25.696 426 HA ARG 57 HA ARG 57 -9.426 7.746 28.347 427 HB2 ARG 57 HB3 ARG 57 -11.179 9.072 29.045 428 HB3 ARG 57 HB2 ARG 57 -12.201 8.642 27.683 429 HG2 ARG 57 HG3 ARG 57 -12.909 6.697 28.657 430 HG3 ARG 57 HG2 ARG 57 -11.548 6.593 29.764 431 HD2 ARG 57 HD3 ARG 57 -12.429 8.440 31.074 432 HD3 ARG 57 HD2 ARG 57 -13.693 8.733 29.884 433 HE ARG 57 HE ARG 57 -13.970 6.087 30.757 434 HH11 ARG 57 HH11 ARG 57 -14.213 9.311 32.110 435 HH12 ARG 57 HH12 ARG 57 -15.375 8.845 33.307 436 HH21 ARG 57 HH21 ARG 57 -15.478 5.525 32.330 437 HH22 ARG 57 HH22 ARG 57 -16.084 6.718 33.429 438 H SER 58 H SER 58 -9.824 5.626 29.141 439 HA SER 58 HA SER 58 -9.439 3.608 27.268 440 HB2 SER 58 HB3 SER 58 -9.702 2.056 29.136 441 HB3 SER 58 HB2 SER 58 -8.751 3.460 29.614 442 HG SER 58 HG SER 58 -11.555 3.225 29.991 443 H THR 59 H THR 59 -12.462 4.922 28.372 444 HA THR 59 HA THR 59 -14.192 2.774 28.100 445 HB THR 59 HB THR 59 -14.849 5.026 28.935 446 HG1 THR 59 HG1 THR 59 -16.346 3.916 26.804 447 HG21 THR 59 HG21 THR 59 -15.151 6.880 27.563 448 HG22 THR 59 HG22 THR 59 -15.332 5.904 26.107 449 HG23 THR 59 HG23 THR 59 -13.733 6.151 26.807 450 H GLU 60 H GLU 60 -12.921 4.896 25.559 451 HA GLU 60 HA GLU 60 -14.147 3.130 23.524 452 HB2 GLU 60 HB3 GLU 60 -13.738 6.046 23.718 453 HB3 GLU 60 HB2 GLU 60 -13.265 5.377 22.161 454 HG2 GLU 60 HG3 GLU 60 -15.575 5.965 21.958 455 HG3 GLU 60 HG2 GLU 60 -15.534 4.210 22.114 456 H LYS 61 H LYS 61 -11.438 2.975 25.053 457 HA LYS 61 HA LYS 61 -9.545 3.089 22.822 458 HB2 LYS 61 HB3 LYS 61 -8.920 3.923 25.084 459 HB3 LYS 61 HB2 LYS 61 -9.089 2.284 25.703 460 HG2 LYS 61 HG3 LYS 61 -7.331 2.595 23.305 461 HG3 LYS 61 HG2 LYS 61 -6.735 3.320 24.793 462 HD2 LYS 61 HD3 LYS 61 -7.739 0.469 24.701 463 HD3 LYS 61 HD2 LYS 61 -6.065 0.884 24.340 464 HE2 LYS 61 HE3 LYS 61 -7.435 1.759 26.890 465 HE3 LYS 61 HE2 LYS 61 -6.551 0.239 26.763 466 HZ1 LYS 61 HZ1 LYS 61 -5.222 2.672 25.835 467 HZ2 LYS 61 HZ2 LYS 61 -4.566 1.293 26.578 468 HZ3 LYS 61 HZ3 LYS 61 -5.382 2.457 27.509 469 H PHE 62 H PHE 62 -8.962 1.377 21.652 470 HA PHE 62 HA PHE 62 -9.554 -1.327 22.721 471 HB2 PHE 62 HB3 PHE 62 -11.185 -0.565 20.964 472 HB3 PHE 62 HB2 PHE 62 -9.842 -0.509 19.823 473 HD1 PHE 62 HD1 PHE 62 -11.882 -2.724 21.985 474 HD2 PHE 62 HD2 PHE 62 -8.859 -2.526 18.940 475 HE1 PHE 62 HE1 PHE 62 -12.106 -5.164 21.604 476 HE2 PHE 62 HE2 PHE 62 -9.083 -4.967 18.559 477 HZ PHE 62 HZ PHE 62 -10.707 -6.285 19.891 478 H ASN 63 H ASN 63 -7.275 -1.133 23.420 479 HA ASN 63 HA ASN 63 -5.538 -2.599 21.750 480 HB2 ASN 63 HB3 ASN 63 -5.547 -0.140 20.760 481 HB3 ASN 63 HB2 ASN 63 -4.428 0.158 22.088 482 HD21 ASN 63 HD21 ASN 63 -3.892 0.030 19.110 483 HD22 ASN 63 HD22 ASN 63 -2.678 -1.144 18.934 484 H SER 64 H SER 64 -3.505 -3.074 22.761 485 HA SER 64 HA SER 64 -3.565 -2.646 25.671 486 HB2 SER 64 HB3 SER 64 -1.953 -4.559 23.964 487 HB3 SER 64 HB2 SER 64 -1.856 -4.453 25.719 488 HG SER 64 HG SER 64 -3.649 -5.735 24.187 489 H HIS 65 H HIS 65 -1.287 -2.543 22.944 490 HA HIS 65 HA HIS 65 -0.112 -0.088 23.743 491 HB2 HIS 65 HB3 HIS 65 2.156 -0.920 24.307 492 HB3 HIS 65 HB2 HIS 65 0.951 -1.407 25.494 493 HD1 HIS 65 HD1 HIS 65 2.976 -2.795 22.609 494 HD2 HIS 65 HD2 HIS 65 0.609 -4.184 25.747 495 HE1 HIS 65 HE1 HIS 65 3.275 -5.309 22.672 496 HE2 HIS 65 HE2 HIS 65 1.837 -6.171 24.580 497 H CYS 66 H CYS 66 0.844 0.834 22.027 498 HA CYS 66 HA CYS 66 2.234 -0.584 19.980 499 HB2 CYS 66 HB3 CYS 66 -0.108 -1.240 19.427 500 HB3 CYS 66 HB2 CYS 66 -0.502 0.467 19.223 501 HG CYS 66 HG CYS 66 1.722 0.209 17.435 502 H GLY 67 H GLY 67 3.182 0.823 18.435 503 HA2 GLY 67 HA3 GLY 67 3.798 3.421 19.361 504 HA3 GLY 67 HA2 GLY 67 4.164 2.794 17.756 505 H TRP 68 H TRP 68 1.580 2.275 16.835 506 HA TRP 68 HA TRP 68 0.247 4.904 16.860 507 HB2 TRP 68 HB3 TRP 68 0.830 3.208 14.414 508 HB3 TRP 68 HB2 TRP 68 -0.144 4.676 14.423 509 HD1 TRP 68 HD1 TRP 68 1.100 6.974 14.916 510 HE1 TRP 68 HE1 TRP 68 3.561 7.694 14.609 511 HE3 TRP 68 HE3 TRP 68 3.293 2.391 14.520 512 HZ2 TRP 68 HZ2 TRP 68 6.122 6.468 14.244 513 HZ3 TRP 68 HZ3 TRP 68 5.741 2.190 14.195 514 HH2 TRP 68 HH2 TRP 68 7.158 4.220 14.056 515 HA PRO 69 HA PRO 69 -2.815 1.444 17.540 516 HB2 PRO 69 HB3 PRO 69 -3.870 2.216 19.881 517 HB3 PRO 69 HB2 PRO 69 -2.290 1.409 19.808 518 HG2 PRO 69 HG3 PRO 69 -2.916 4.308 20.104 519 HG3 PRO 69 HG2 PRO 69 -1.705 3.328 20.947 520 HD2 PRO 69 HD3 PRO 69 -1.148 4.958 18.782 521 HD3 PRO 69 HD2 PRO 69 -0.168 3.557 19.250 522 H SER 70 H SER 70 -5.202 1.509 17.676 523 HA SER 70 HA SER 70 -6.292 4.047 16.619 524 HB2 SER 70 HB3 SER 70 -7.310 1.226 16.267 525 HB3 SER 70 HB2 SER 70 -8.078 2.670 15.628 526 HG SER 70 HG SER 70 -6.071 1.247 14.599 527 H PHE 71 H PHE 71 -8.274 4.816 17.412 528 HA PHE 71 HA PHE 71 -9.301 3.536 19.879 529 HB2 PHE 71 HB3 PHE 71 -8.853 6.503 19.489 530 HB3 PHE 71 HB2 PHE 71 -9.520 5.735 20.920 531 HD1 PHE 71 HD1 PHE 71 -6.487 6.488 19.022 532 HD2 PHE 71 HD2 PHE 71 -8.075 4.351 22.391 533 HE1 PHE 71 HE1 PHE 71 -4.195 6.209 19.923 534 HE2 PHE 71 HE2 PHE 71 -5.780 4.072 23.288 535 HZ PHE 71 HZ PHE 71 -3.843 5.000 22.058 536 H PHE 72 H PHE 72 -11.445 4.610 20.483 537 HA PHE 72 HA PHE 72 -13.035 5.052 18.038 538 HB2 PHE 72 HB3 PHE 72 -13.862 3.963 20.744 539 HB3 PHE 72 HB2 PHE 72 -14.991 4.351 19.451 540 HD1 PHE 72 HD1 PHE 72 -13.125 1.736 20.867 541 HD2 PHE 72 HD2 PHE 72 -14.261 3.346 17.045 542 HE1 PHE 72 HE1 PHE 72 -12.707 -0.466 19.807 543 HE2 PHE 72 HE2 PHE 72 -13.838 1.142 15.992 544 HZ PHE 72 HZ PHE 72 -13.061 -0.763 17.374 545 H SER 73 H SER 73 -15.292 6.232 19.379 546 HA SER 73 HA SER 73 -14.756 8.902 19.219 547 HB2 SER 73 HB3 SER 73 -17.013 7.868 19.420 548 HB3 SER 73 HB2 SER 73 -16.733 7.681 21.145 549 HG SER 73 HG SER 73 -17.459 9.875 19.730 550 HA PRO 74 HA PRO 74 -12.264 9.765 22.899 551 HB2 PRO 74 HB3 PRO 74 -12.332 12.478 22.884 552 HB3 PRO 74 HB2 PRO 74 -11.399 11.554 21.685 553 HG2 PRO 74 HG3 PRO 74 -14.111 12.781 21.427 554 HG3 PRO 74 HG2 PRO 74 -12.745 12.834 20.300 555 HD2 PRO 74 HD3 PRO 74 -14.812 11.117 19.962 556 HD3 PRO 74 HD2 PRO 74 -13.151 10.695 19.492 557 H LEU 75 H LEU 75 -12.480 11.181 24.984 558 HA LEU 75 HA LEU 75 -14.468 10.480 26.628 559 HB2 LEU 75 HB3 LEU 75 -12.847 12.993 26.437 560 HB3 LEU 75 HB2 LEU 75 -14.248 13.038 27.512 561 HG LEU 75 HG LEU 75 -13.281 10.716 28.376 562 HD11 LEU 75 HD11 LEU 75 -10.954 12.030 26.987 563 HD12 LEU 75 HD12 LEU 75 -11.477 10.366 26.899 564 HD13 LEU 75 HD13 LEU 75 -10.700 10.966 28.362 565 HD21 LEU 75 HD21 LEU 75 -12.245 13.480 29.054 566 HD22 LEU 75 HD22 LEU 75 -11.827 12.054 30.005 567 HD23 LEU 75 HD23 LEU 75 -13.509 12.566 29.873 568 H ALA 76 H ALA 76 -14.716 13.655 24.938 569 HA ALA 76 HA ALA 76 -17.561 13.174 24.458 570 HB1 ALA 76 HB1 ALA 76 -17.010 14.261 26.833 571 HB2 ALA 76 HB2 ALA 76 -18.435 14.717 25.897 572 HB3 ALA 76 HB3 ALA 76 -16.993 15.732 25.859 573 H GLY 77 H GLY 77 -14.704 14.324 23.315 574 HA2 GLY 77 HA3 GLY 77 -14.251 15.409 21.307 575 HA3 GLY 77 HA2 GLY 77 -15.968 15.752 21.137 576 H ASP 78 H ASP 78 -15.128 16.699 24.202 577 HA ASP 78 HA ASP 78 -15.136 19.508 23.501 578 HB2 ASP 78 HB3 ASP 78 -15.167 18.009 26.124 579 HB3 ASP 78 HB2 ASP 78 -15.136 19.765 26.005 580 H LYS 79 H LYS 79 -12.906 17.041 24.523 581 HA LYS 79 HA LYS 79 -10.849 19.004 25.184 582 HB2 LYS 79 HB3 LYS 79 -10.360 16.043 25.223 583 HB3 LYS 79 HB2 LYS 79 -9.641 17.300 26.218 584 HG2 LYS 79 HG3 LYS 79 -12.534 16.376 26.422 585 HG3 LYS 79 HG2 LYS 79 -11.249 15.897 27.514 586 HD2 LYS 79 HD3 LYS 79 -10.984 18.130 28.344 587 HD3 LYS 79 HD2 LYS 79 -12.050 18.778 27.093 588 HE2 LYS 79 HE3 LYS 79 -13.946 17.563 28.008 589 HE3 LYS 79 HE2 LYS 79 -12.914 16.767 29.192 590 HZ1 LYS 79 HZ1 LYS 79 -14.268 18.920 29.784 591 HZ2 LYS 79 HZ2 LYS 79 -12.925 19.698 29.092 592 HZ3 LYS 79 HZ3 LYS 79 -12.719 18.664 30.424 593 H VAL 80 H VAL 80 -11.925 17.237 22.498 594 HA VAL 80 HA VAL 80 -9.478 17.907 21.015 595 HB VAL 80 HB VAL 80 -9.603 15.784 19.758 596 HG11 VAL 80 HG11 VAL 80 -9.301 15.643 22.753 597 HG12 VAL 80 HG12 VAL 80 -8.038 15.809 21.527 598 HG13 VAL 80 HG13 VAL 80 -8.910 14.283 21.696 599 HG21 VAL 80 HG21 VAL 80 -11.566 14.860 21.867 600 HG22 VAL 80 HG22 VAL 80 -11.024 13.985 20.434 601 HG23 VAL 80 HG23 VAL 80 -12.062 15.399 20.262 602 H ILE 81 H ILE 81 -9.798 18.372 18.811 603 HA ILE 81 HA ILE 81 -12.621 18.562 17.949 604 HB ILE 81 HB ILE 81 -10.478 20.637 18.086 605 HG12 ILE 81 HG13 ILE 81 -12.413 22.136 18.379 606 HG13 ILE 81 HG12 ILE 81 -13.512 20.815 18.009 607 HG21 ILE 81 HG21 ILE 81 -11.323 21.944 16.193 608 HG22 ILE 81 HG22 ILE 81 -12.442 20.648 15.772 609 HG23 ILE 81 HG23 ILE 81 -10.702 20.393 15.624 610 HD11 ILE 81 HD11 ILE 81 -11.579 20.321 20.227 611 HD12 ILE 81 HD12 ILE 81 -13.279 19.870 20.087 612 HD13 ILE 81 HD13 ILE 81 -12.837 21.516 20.540 613 H GLU 82 H GLU 82 -13.107 17.731 16.044 614 HA GLU 82 HA GLU 82 -10.927 16.624 14.388 615 HB2 GLU 82 HB3 GLU 82 -13.799 15.805 14.040 616 HB3 GLU 82 HB2 GLU 82 -12.337 14.887 13.719 617 HG2 GLU 82 HG3 GLU 82 -11.957 14.889 16.264 618 HG3 GLU 82 HG2 GLU 82 -13.615 15.462 16.398 619 H ARG 83 H ARG 83 -10.557 17.558 12.484 620 HA ARG 83 HA ARG 83 -12.753 18.953 11.088 621 HB2 ARG 83 HB3 ARG 83 -9.980 20.065 11.594 622 HB3 ARG 83 HB2 ARG 83 -11.162 20.780 10.497 623 HG2 ARG 83 HG3 ARG 83 -12.724 21.128 12.336 624 HG3 ARG 83 HG2 ARG 83 -11.640 20.298 13.453 625 HD2 ARG 83 HD3 ARG 83 -11.362 22.700 13.723 626 HD3 ARG 83 HD2 ARG 83 -9.905 22.031 12.995 627 HE ARG 83 HE ARG 83 -11.724 22.895 10.976 628 HH11 ARG 83 HH11 ARG 83 -9.457 24.139 13.342 629 HH12 ARG 83 HH12 ARG 83 -9.130 25.582 12.440 630 HH21 ARG 83 HH21 ARG 83 -11.268 24.784 9.837 631 HH22 ARG 83 HH22 ARG 83 -10.148 25.941 10.473 632 H THR 84 H THR 84 -12.477 19.069 8.786 633 HA THR 84 HA THR 84 -10.614 17.024 7.774 634 HB THR 84 HB THR 84 -13.055 16.690 7.361 635 HG1 THR 84 HG1 THR 84 -12.242 15.664 5.752 636 HG21 THR 84 HG21 THR 84 -12.776 19.027 5.461 637 HG22 THR 84 HG22 THR 84 -13.562 19.145 7.037 638 HG23 THR 84 HG23 THR 84 -14.233 18.089 5.793 639 H ASP 85 H ASP 85 -9.345 17.381 5.962 640 HA ASP 85 HA ASP 85 -8.961 20.218 5.200 641 HB2 ASP 85 HB3 ASP 85 -7.156 19.432 6.694 642 HB3 ASP 85 HB2 ASP 85 -6.811 18.119 5.570 643 H THR 86 H THR 86 -9.439 20.503 3.132 644 HA THR 86 HA THR 86 -9.429 18.288 1.260 645 HB THR 86 HB THR 86 -10.040 21.171 0.595 646 HG1 THR 86 HG1 THR 86 -11.236 20.536 2.445 647 HG21 THR 86 HG21 THR 86 -10.838 18.472 -0.502 648 HG22 THR 86 HG22 THR 86 -9.987 19.775 -1.333 649 HG23 THR 86 HG23 THR 86 -11.695 19.953 -0.930 650 H SER 87 H SER 87 -7.103 18.084 1.637 651 HA SER 87 HA SER 87 -5.223 19.985 0.661 652 HB2 SER 87 HB3 SER 87 -3.616 18.142 0.750 653 HB3 SER 87 HB2 SER 87 -4.618 18.151 2.198 654 HG SER 87 HG SER 87 -4.449 16.316 0.152 655 H HIS 88 H HIS 88 -6.938 17.301 -0.835 656 HA HIS 88 HA HIS 88 -6.304 18.333 -3.493 657 HB2 HIS 88 HB3 HIS 88 -5.642 15.488 -2.648 658 HB3 HIS 88 HB2 HIS 88 -5.563 16.097 -4.299 659 HD1 HIS 88 HD1 HIS 88 -3.895 18.277 -4.586 660 HD2 HIS 88 HD2 HIS 88 -3.280 15.851 -1.251 661 HE1 HIS 88 HE1 HIS 88 -1.566 18.800 -3.739 662 HE2 HIS 88 HE2 HIS 88 -1.176 17.330 -1.706 663 H GLY 89 H GLY 89 -7.377 15.874 -4.780 664 HA2 GLY 89 HA3 GLY 89 -10.105 16.493 -4.858 665 HA3 GLY 89 HA2 GLY 89 -9.401 14.977 -5.414 666 H MET 90 H MET 90 -8.302 14.544 -2.613 667 HA MET 90 HA MET 90 -10.813 13.627 -1.344 668 HB2 MET 90 HB3 MET 90 -9.480 11.806 -0.337 669 HB3 MET 90 HB2 MET 90 -9.431 11.744 -2.096 670 HG2 MET 90 HG3 MET 90 -7.234 12.932 -2.044 671 HG3 MET 90 HG2 MET 90 -7.279 12.885 -0.282 672 HE1 MET 90 HE1 MET 90 -7.967 10.952 -3.349 673 HE2 MET 90 HE2 MET 90 -7.311 9.332 -3.134 674 HE3 MET 90 HE3 MET 90 -6.230 10.669 -3.517 675 H VAL 91 H VAL 91 -10.934 13.750 0.956 676 HA VAL 91 HA VAL 91 -9.121 15.784 2.117 677 HB VAL 91 HB VAL 91 -10.986 16.429 3.572 678 HG11 VAL 91 HG11 VAL 91 -11.356 17.888 1.898 679 HG12 VAL 91 HG12 VAL 91 -12.646 16.832 1.344 680 HG13 VAL 91 HG13 VAL 91 -11.031 16.689 0.651 681 HG21 VAL 91 HG21 VAL 91 -12.062 14.174 3.641 682 HG22 VAL 91 HG22 VAL 91 -12.641 14.438 1.997 683 HG23 VAL 91 HG23 VAL 91 -13.205 15.474 3.308 684 H ARG 92 H ARG 92 -8.727 15.635 4.438 685 HA ARG 92 HA ARG 92 -8.956 12.902 5.536 686 HB2 ARG 92 HB3 ARG 92 -6.507 14.684 5.519 687 HB3 ARG 92 HB2 ARG 92 -6.663 13.229 6.502 688 HG2 ARG 92 HG3 ARG 92 -7.141 11.954 4.366 689 HG3 ARG 92 HG2 ARG 92 -6.697 13.413 3.480 690 HD2 ARG 92 HD3 ARG 92 -4.906 11.993 5.469 691 HD3 ARG 92 HD2 ARG 92 -4.790 11.824 3.721 692 HE ARG 92 HE ARG 92 -3.987 14.138 5.310 693 HH11 ARG 92 HH11 ARG 92 -4.658 12.878 2.105 694 HH12 ARG 92 HH12 ARG 92 -3.750 14.116 1.306 695 HH21 ARG 92 HH21 ARG 92 -2.820 15.726 4.224 696 HH22 ARG 92 HH22 ARG 92 -2.721 15.713 2.494 697 H THR 93 H THR 93 -9.453 12.829 7.715 698 HA THR 93 HA THR 93 -10.191 15.386 8.922 699 HB THR 93 HB THR 93 -10.631 12.610 10.037 700 HG1 THR 93 HG1 THR 93 -11.922 12.492 8.374 701 HG21 THR 93 HG21 THR 93 -12.551 13.882 11.164 702 HG22 THR 93 HG22 THR 93 -11.743 15.358 10.637 703 HG23 THR 93 HG23 THR 93 -10.928 14.254 11.744 704 H GLU 94 H GLU 94 -8.609 16.424 9.897 705 HA GLU 94 HA GLU 94 -6.449 15.013 11.220 706 HB2 GLU 94 HB3 GLU 94 -5.509 17.270 11.595 707 HB3 GLU 94 HB2 GLU 94 -5.892 17.000 9.897 708 HG2 GLU 94 HG3 GLU 94 -8.016 18.235 10.177 709 HG3 GLU 94 HG2 GLU 94 -7.638 18.502 11.877 710 H VAL 95 H VAL 95 -6.129 14.890 13.358 711 HA VAL 95 HA VAL 95 -8.372 15.678 15.091 712 HB VAL 95 HB VAL 95 -6.104 13.709 15.546 713 HG11 VAL 95 HG11 VAL 95 -6.694 14.518 17.703 714 HG12 VAL 95 HG12 VAL 95 -7.622 13.029 17.522 715 HG13 VAL 95 HG13 VAL 95 -8.412 14.593 17.302 716 HG21 VAL 95 HG21 VAL 95 -7.876 13.060 13.881 717 HG22 VAL 95 HG22 VAL 95 -9.071 13.218 15.169 718 HG23 VAL 95 HG23 VAL 95 -7.799 12.002 15.290 719 H ILE 96 H ILE 96 -8.157 17.362 16.363 720 HA ILE 96 HA ILE 96 -5.460 18.224 17.201 721 HB ILE 96 HB ILE 96 -6.242 20.550 17.117 722 HG12 ILE 96 HG13 ILE 96 -8.577 19.619 15.435 723 HG13 ILE 96 HG12 ILE 96 -8.745 19.769 17.182 724 HG21 ILE 96 HG21 ILE 96 -4.938 19.855 15.267 725 HG22 ILE 96 HG22 ILE 96 -6.332 20.669 14.560 726 HG23 ILE 96 HG23 ILE 96 -6.257 18.905 14.583 727 HD11 ILE 96 HD11 ILE 96 -9.153 21.815 15.426 728 HD12 ILE 96 HD12 ILE 96 -7.471 22.099 15.882 729 HD13 ILE 96 HD13 ILE 96 -8.725 22.022 17.121 730 H CYS 97 H CYS 97 -5.430 19.434 19.169 731 HA CYS 97 HA CYS 97 -7.272 18.360 21.158 732 HB2 CYS 97 HB3 CYS 97 -4.820 18.524 21.473 733 HB3 CYS 97 HB2 CYS 97 -4.927 20.265 21.434 734 H ALA 98 H ALA 98 -8.910 19.492 22.073 735 HA ALA 98 HA ALA 98 -9.973 21.758 20.826 736 HB1 ALA 98 HB1 ALA 98 -11.615 21.773 22.546 737 HB2 ALA 98 HB2 ALA 98 -10.541 20.944 23.673 738 HB3 ALA 98 HB3 ALA 98 -11.189 20.082 22.276 739 H ASN 99 H ASN 99 -7.526 21.534 23.283 740 HA ASN 99 HA ASN 99 -7.813 24.382 23.953 741 HB2 ASN 99 HB3 ASN 99 -6.344 22.096 25.241 742 HB3 ASN 99 HB2 ASN 99 -6.088 23.777 25.716 743 HD21 ASN 99 HD21 ASN 99 -8.419 21.129 25.720 744 HD22 ASN 99 HD22 ASN 99 -9.546 21.887 26.741 745 H CYS 100 H CYS 100 -5.739 22.188 22.186 746 HA CYS 100 HA CYS 100 -4.142 24.497 21.359 747 HB2 CYS 100 HB3 CYS 100 -2.007 23.338 21.723 748 HB3 CYS 100 HB2 CYS 100 -2.878 23.587 23.233 749 H GLU 101 H GLU 101 -2.783 24.016 19.453 750 HA GLU 101 HA GLU 101 -4.341 22.550 17.535 751 HB2 GLU 101 HB3 GLU 101 -1.856 24.240 17.407 752 HB3 GLU 101 HB2 GLU 101 -2.315 23.248 16.025 753 HG2 GLU 101 HG3 GLU 101 -4.525 24.323 15.963 754 HG3 GLU 101 HG2 GLU 101 -4.106 25.293 17.375 755 H SER 102 H SER 102 -4.038 20.496 18.819 756 HA SER 102 HA SER 102 -1.501 19.138 18.418 757 HB2 SER 102 HB3 SER 102 -4.093 18.096 19.563 758 HB3 SER 102 HB2 SER 102 -2.549 17.257 19.582 759 HG SER 102 HG SER 102 -1.928 18.474 21.181 760 H HIS 103 H HIS 103 -2.189 19.860 16.042 761 HA HIS 103 HA HIS 103 -3.817 17.946 14.619 762 HB2 HIS 103 HB3 HIS 103 -2.671 19.061 12.565 763 HB3 HIS 103 HB2 HIS 103 -3.813 20.002 13.510 764 HD1 HIS 103 HD1 HIS 103 -2.749 22.276 12.968 765 HD2 HIS 103 HD2 HIS 103 -0.057 19.610 14.716 766 HE1 HIS 103 HE1 HIS 103 -0.703 23.630 13.597 767 HE2 HIS 103 HE2 HIS 103 0.943 22.021 14.666 768 H LEU 104 H LEU 104 -1.384 17.042 16.191 769 HA LEU 104 HA LEU 104 0.534 16.075 14.303 770 HB2 LEU 104 HB3 LEU 104 1.481 14.931 16.237 771 HB3 LEU 104 HB2 LEU 104 1.062 16.595 16.630 772 HG LEU 104 HG LEU 104 -1.246 15.485 17.415 773 HD11 LEU 104 HD11 LEU 104 0.763 13.222 17.422 774 HD12 LEU 104 HD12 LEU 104 -0.918 13.199 16.896 775 HD13 LEU 104 HD13 LEU 104 -0.538 13.267 18.612 776 HD21 LEU 104 HD21 LEU 104 0.020 16.728 18.983 777 HD22 LEU 104 HD22 LEU 104 1.381 15.615 18.910 778 HD23 LEU 104 HD23 LEU 104 -0.110 15.134 19.719 779 H GLY 105 H GLY 105 -2.535 14.933 15.490 780 HA2 GLY 105 HA3 GLY 105 -2.025 12.279 14.270 781 HA3 GLY 105 HA2 GLY 105 -3.095 12.550 15.637 782 H HIS 106 H HIS 106 -3.930 11.214 13.407 783 HA HIS 106 HA HIS 106 -6.015 13.011 12.344 784 HB2 HIS 106 HB3 HIS 106 -4.269 11.121 10.756 785 HB3 HIS 106 HB2 HIS 106 -5.831 11.683 10.165 786 HD1 HIS 106 HD1 HIS 106 -2.551 13.158 11.443 787 HD2 HIS 106 HD2 HIS 106 -5.688 14.129 8.857 788 HE1 HIS 106 HE1 HIS 106 -1.907 15.333 10.316 789 HE2 HIS 106 HE2 HIS 106 -3.808 15.939 8.746 790 H VAL 107 H VAL 107 -7.943 11.872 11.649 791 HA VAL 107 HA VAL 107 -8.215 9.158 12.784 792 HB VAL 107 HB VAL 107 -9.211 10.776 14.328 793 HG11 VAL 107 HG11 VAL 107 -10.880 12.329 13.754 794 HG12 VAL 107 HG12 VAL 107 -11.231 11.524 12.224 795 HG13 VAL 107 HG13 VAL 107 -9.738 12.441 12.415 796 HG21 VAL 107 HG21 VAL 107 -11.139 9.034 12.786 797 HG22 VAL 107 HG22 VAL 107 -11.591 9.864 14.275 798 HG23 VAL 107 HG23 VAL 107 -10.306 8.655 14.294 799 H PHE 108 H PHE 108 -9.344 7.718 11.608 800 HA PHE 108 HA PHE 108 -10.347 8.649 8.968 801 HB2 PHE 108 HB3 PHE 108 -9.107 6.007 9.757 802 HB3 PHE 108 HB2 PHE 108 -9.842 6.329 8.186 803 HD1 PHE 108 HD1 PHE 108 -7.001 7.056 10.405 804 HD2 PHE 108 HD2 PHE 108 -8.823 7.904 6.608 805 HE1 PHE 108 HE1 PHE 108 -4.892 8.102 9.626 806 HE2 PHE 108 HE2 PHE 108 -6.715 8.951 5.830 807 HZ PHE 108 HZ PHE 108 -4.749 9.050 7.338 808 H ALA 109 H ALA 109 -12.338 8.115 8.297 809 HA ALA 109 HA ALA 109 -14.056 6.619 10.175 810 HB1 ALA 109 HB1 ALA 109 -15.004 8.744 9.871 811 HB2 ALA 109 HB2 ALA 109 -15.897 7.737 8.731 812 HB3 ALA 109 HB3 ALA 109 -14.598 8.783 8.156 813 H GLY 110 H GLY 110 -15.690 5.195 9.264 814 HA2 GLY 110 HA3 GLY 110 -16.480 3.574 7.807 815 HA3 GLY 110 HA2 GLY 110 -15.546 4.334 6.526 816 H GLU 111 H GLU 111 -14.039 3.331 9.518 817 HA GLU 111 HA GLU 111 -12.125 1.702 8.156 818 HB2 GLU 111 HB3 GLU 111 -11.704 3.034 10.255 819 HB3 GLU 111 HB2 GLU 111 -12.636 1.819 11.131 820 HG2 GLU 111 HG3 GLU 111 -10.277 1.255 11.289 821 HG3 GLU 111 HG2 GLU 111 -11.080 0.063 10.276 822 H GLY 112 H GLY 112 -15.143 1.047 9.821 823 HA2 GLY 112 HA3 GLY 112 -16.450 -0.878 9.665 824 HA3 GLY 112 HA2 GLY 112 -15.115 -1.691 8.861 825 H TYR 113 H TYR 113 -14.951 -0.049 12.000 826 HA TYR 113 HA TYR 113 -14.003 -2.530 13.221 827 HB2 TYR 113 HB3 TYR 113 -13.838 0.366 13.884 828 HB3 TYR 113 HB2 TYR 113 -13.902 -0.734 15.257 829 HD1 TYR 113 HD1 TYR 113 -12.139 -0.283 11.971 830 HD2 TYR 113 HD2 TYR 113 -11.911 -1.733 16.008 831 HE1 TYR 113 HE1 TYR 113 -9.740 -0.821 11.645 832 HE2 TYR 113 HE2 TYR 113 -9.513 -2.269 15.681 833 HH TYR 113 HH TYR 113 -8.035 -2.261 12.584 834 H ASP 114 H ASP 114 -16.959 -1.714 12.560 835 HA ASP 114 HA ASP 114 -19.018 -2.110 13.441 836 HB2 ASP 114 HB3 ASP 114 -17.782 -4.339 13.739 837 HB3 ASP 114 HB2 ASP 114 -17.645 -3.898 15.439 838 H THR 115 H THR 115 -18.179 0.257 14.298 839 HA THR 115 HA THR 115 -19.064 0.364 17.097 840 HB THR 115 HB THR 115 -17.516 2.563 17.027 841 HG1 THR 115 HG1 THR 115 -16.105 2.504 15.513 842 HG21 THR 115 HG21 THR 115 -16.150 1.490 18.520 843 HG22 THR 115 HG22 THR 115 -15.978 0.055 17.508 844 HG23 THR 115 HG23 THR 115 -17.444 0.295 18.462 845 HA PRO 116 HA PRO 116 -22.060 3.329 15.860 846 HB2 PRO 116 HB3 PRO 116 -21.857 5.280 17.810 847 HB3 PRO 116 HB2 PRO 116 -22.680 3.723 18.025 848 HG2 PRO 116 HG3 PRO 116 -19.936 4.540 18.860 849 HG3 PRO 116 HG2 PRO 116 -21.143 3.574 19.729 850 HD2 PRO 116 HD3 PRO 116 -19.047 2.433 18.471 851 HD3 PRO 116 HD2 PRO 116 -20.630 1.632 18.532 852 H THR 117 H THR 117 -18.802 4.501 16.414 853 HA THR 117 HA THR 117 -19.310 6.874 14.726 854 HB THR 117 HB THR 117 -17.152 7.707 15.556 855 HG1 THR 117 HG1 THR 117 -16.205 6.428 17.290 856 HG21 THR 117 HG21 THR 117 -17.934 8.379 17.622 857 HG22 THR 117 HG22 THR 117 -18.499 6.766 18.052 858 HG23 THR 117 HG23 THR 117 -19.440 7.765 16.940 859 H ASP 118 H ASP 118 -17.559 3.855 14.895 860 HA ASP 118 HA ASP 118 -16.177 2.756 13.422 861 HB2 ASP 118 HB3 ASP 118 -18.386 3.122 12.128 862 HB3 ASP 118 HB2 ASP 118 -17.505 4.366 11.247 863 H LEU 119 H LEU 119 -14.980 4.905 14.636 864 HA LEU 119 HA LEU 119 -13.422 6.236 12.512 865 HB2 LEU 119 HB3 LEU 119 -13.837 6.968 15.415 866 HB3 LEU 119 HB2 LEU 119 -12.728 7.805 14.332 867 HG LEU 119 HG LEU 119 -15.683 7.476 13.738 868 HD11 LEU 119 HD11 LEU 119 -14.299 9.944 14.815 869 HD12 LEU 119 HD12 LEU 119 -15.141 8.797 15.857 870 HD13 LEU 119 HD13 LEU 119 -16.032 9.679 14.616 871 HD21 LEU 119 HD21 LEU 119 -13.432 9.154 12.586 872 HD22 LEU 119 HD22 LEU 119 -15.133 9.485 12.251 873 HD23 LEU 119 HD23 LEU 119 -14.415 7.955 11.747 874 H ARG 120 H ARG 120 -11.190 6.340 12.635 875 HA ARG 120 HA ARG 120 -9.879 4.420 14.456 876 HB2 ARG 120 HB3 ARG 120 -10.081 3.545 12.108 877 HB3 ARG 120 HB2 ARG 120 -9.130 4.925 11.560 878 HG2 ARG 120 HG3 ARG 120 -7.269 4.225 13.028 879 HG3 ARG 120 HG2 ARG 120 -8.221 2.843 13.567 880 HD2 ARG 120 HD3 ARG 120 -8.325 2.013 11.241 881 HD3 ARG 120 HD2 ARG 120 -7.344 3.379 10.719 882 HE ARG 120 HE ARG 120 -5.973 2.041 12.785 883 HH11 ARG 120 HH11 ARG 120 -6.956 1.484 9.465 884 HH12 ARG 120 HH12 ARG 120 -5.639 0.407 9.137 885 HH21 ARG 120 HH21 ARG 120 -4.281 0.637 12.313 886 HH22 ARG 120 HH22 ARG 120 -4.139 -0.067 10.737 887 H TYR 121 H TYR 121 -9.509 6.298 15.793 888 HA TYR 121 HA TYR 121 -7.996 8.560 14.878 889 HB2 TYR 121 HB3 TYR 121 -8.402 7.481 17.674 890 HB3 TYR 121 HB2 TYR 121 -7.730 9.054 17.277 891 HD1 TYR 121 HD1 TYR 121 -10.768 6.982 17.274 892 HD2 TYR 121 HD2 TYR 121 -9.151 10.887 16.572 893 HE1 TYR 121 HE1 TYR 121 -13.053 7.916 17.299 894 HE2 TYR 121 HE2 TYR 121 -11.442 11.835 16.582 895 HH TYR 121 HH TYR 121 -13.629 11.334 17.372 896 H CYS 122 H CYS 122 -5.844 8.581 14.464 897 HA CYS 122 HA CYS 122 -4.146 6.551 15.806 898 HB2 CYS 122 HB3 CYS 122 -3.693 7.990 13.176 899 HB3 CYS 122 HB2 CYS 122 -2.587 6.829 13.911 900 HG CYS 122 HG CYS 122 -4.092 5.479 12.269 901 H ILE 123 H ILE 123 -3.888 7.836 17.665 902 HA ILE 123 HA ILE 123 -2.033 10.114 17.317 903 HB ILE 123 HB ILE 123 -3.748 10.207 19.754 904 HG12 ILE 123 HG13 ILE 123 -5.484 9.593 18.058 905 HG13 ILE 123 HG12 ILE 123 -5.718 11.205 18.714 906 HG21 ILE 123 HG21 ILE 123 -3.664 12.607 19.363 907 HG22 ILE 123 HG22 ILE 123 -3.002 12.352 17.747 908 HG23 ILE 123 HG23 ILE 123 -2.050 11.925 19.167 909 HD11 ILE 123 HD11 ILE 123 -5.150 12.249 16.715 910 HD12 ILE 123 HD12 ILE 123 -5.898 10.771 16.105 911 HD13 ILE 123 HD13 ILE 123 -4.148 10.909 16.182 912 H ASN 124 H ASN 124 -1.706 10.415 20.242 913 HA ASN 124 HA ASN 124 -0.341 9.604 21.908 914 HB2 ASN 124 HB3 ASN 124 -2.403 8.118 22.062 915 HB3 ASN 124 HB2 ASN 124 -1.492 6.907 21.165 916 HD21 ASN 124 HD21 ASN 124 -1.285 5.393 22.910 917 HD22 ASN 124 HD22 ASN 124 -0.385 5.732 24.309 918 H SER 125 H SER 125 1.039 9.999 19.570 919 HA SER 125 HA SER 125 2.859 7.664 19.470 920 HB2 SER 125 HB3 SER 125 2.038 9.525 17.252 921 HB3 SER 125 HB2 SER 125 3.357 8.366 17.122 922 HG SER 125 HG SER 125 1.713 6.779 17.807 923 H VAL 126 H VAL 126 2.710 10.963 20.354 924 HA VAL 126 HA VAL 126 5.642 11.148 20.045 925 HB VAL 126 HB VAL 126 4.254 12.718 18.579 926 HG11 VAL 126 HG11 VAL 126 2.849 13.374 20.809 927 HG12 VAL 126 HG12 VAL 126 3.036 14.456 19.432 928 HG13 VAL 126 HG13 VAL 126 4.074 14.652 20.848 929 HG21 VAL 126 HG21 VAL 126 6.575 13.117 18.777 930 HG22 VAL 126 HG22 VAL 126 6.430 13.623 20.459 931 HG23 VAL 126 HG23 VAL 126 5.833 14.667 19.172 932 H CYS 127 H CYS 127 4.749 9.918 22.282 933 HA CYS 127 HA CYS 127 5.061 9.899 24.543 934 HB2 CYS 127 HB3 CYS 127 6.482 12.527 24.053 935 HB3 CYS 127 HB2 CYS 127 6.526 11.613 25.557 936 HG CYS 127 HG CYS 127 8.490 10.547 24.433 937 H LEU 128 H LEU 128 2.608 10.272 24.234 938 HA LEU 128 HA LEU 128 1.620 12.796 25.326 939 HB2 LEU 128 HB3 LEU 128 0.277 11.860 23.594 940 HB3 LEU 128 HB2 LEU 128 0.322 10.259 24.308 941 HG LEU 128 HG LEU 128 -0.906 12.470 25.938 942 HD11 LEU 128 HD11 LEU 128 -2.200 11.191 23.520 943 HD12 LEU 128 HD12 LEU 128 -1.989 12.911 23.847 944 HD13 LEU 128 HD13 LEU 128 -3.123 11.963 24.810 945 HD21 LEU 128 HD21 LEU 128 -2.499 10.520 26.448 946 HD22 LEU 128 HD22 LEU 128 -0.837 10.313 26.986 947 HD23 LEU 128 HD23 LEU 128 -1.389 9.510 25.523 948 H THR 129 H THR 129 0.417 12.873 27.340 949 HA THR 129 HA THR 129 1.667 11.179 29.358 950 HB THR 129 HB THR 129 -0.180 13.564 29.649 951 HG1 THR 129 HG1 THR 129 2.632 13.313 29.883 952 HG21 THR 129 HG21 THR 129 -0.075 12.003 31.635 953 HG22 THR 129 HG22 THR 129 0.535 13.626 31.962 954 HG23 THR 129 HG23 THR 129 1.663 12.297 31.697 955 H LEU 130 H LEU 130 0.763 9.579 30.438 956 HA LEU 130 HA LEU 130 -2.066 8.939 29.930 957 HB2 LEU 130 HB3 LEU 130 -0.648 7.138 29.289 958 HB3 LEU 130 HB2 LEU 130 0.326 7.288 30.733 959 HG LEU 130 HG LEU 130 -1.291 5.280 30.555 960 HD11 LEU 130 HD11 LEU 130 -0.111 6.313 32.659 961 HD12 LEU 130 HD12 LEU 130 -1.355 5.082 32.851 962 HD13 LEU 130 HD13 LEU 130 -1.754 6.776 33.113 963 HD21 LEU 130 HD21 LEU 130 -3.473 6.845 31.817 964 HD22 LEU 130 HD22 LEU 130 -3.551 5.515 30.665 965 HD23 LEU 130 HD23 LEU 130 -3.256 7.154 30.092 966 H ILE 131 H ILE 131 -3.507 9.080 31.465 967 HA ILE 131 HA ILE 131 -2.676 9.790 34.196 968 HB ILE 131 HB ILE 131 -5.412 9.934 32.896 969 HG12 ILE 131 HG13 ILE 131 -3.862 11.523 31.823 970 HG13 ILE 131 HG12 ILE 131 -5.048 12.382 32.795 971 HG21 ILE 131 HG21 ILE 131 -4.367 10.846 35.579 972 HG22 ILE 131 HG22 ILE 131 -5.727 9.774 35.246 973 HG23 ILE 131 HG23 ILE 131 -5.849 11.494 34.876 974 HD11 ILE 131 HD11 ILE 131 -2.792 13.334 33.116 975 HD12 ILE 131 HD12 ILE 131 -2.194 11.758 33.634 976 HD13 ILE 131 HD13 ILE 131 -3.381 12.615 34.616 977 HA PRO 132 HA PRO 132 -3.837 5.497 35.104 978 HB2 PRO 132 HB3 PRO 132 -3.055 5.496 37.734 979 HB3 PRO 132 HB2 PRO 132 -1.937 5.268 36.376 980 HG2 PRO 132 HG3 PRO 132 -2.397 7.655 38.053 981 HG3 PRO 132 HG2 PRO 132 -0.927 7.096 37.251 982 HD2 PRO 132 HD3 PRO 132 -2.574 9.144 36.382 983 HD3 PRO 132 HD2 PRO 132 -1.378 8.287 35.385 984 H ALA 133 H ALA 133 -6.038 5.543 35.037 985 HA ALA 133 HA ALA 133 -7.743 7.105 36.589 986 HB1 ALA 133 HB1 ALA 133 -9.377 5.109 35.995 987 HB2 ALA 133 HB2 ALA 133 -8.027 4.600 34.975 988 HB3 ALA 133 HB3 ALA 133 -8.773 6.182 34.731 989 H GLU 134 H GLU 134 -6.705 3.719 37.088 990 HA GLU 134 HA GLU 134 -6.679 3.884 39.903 991 HB2 GLU 134 HB3 GLU 134 -9.165 4.026 39.555 992 HB3 GLU 134 HB2 GLU 134 -9.100 2.435 38.803 993 HG2 GLU 134 HG3 GLU 134 -8.200 1.472 40.877 994 HG3 GLU 134 HG2 GLU 134 -8.197 3.066 41.630 995 H GLU 135 H GLU 135 -7.898 1.328 37.712 996 HA GLU 135 HA GLU 135 -7.209 -0.829 37.374 997 HB2 GLU 135 HB3 GLU 135 -4.506 0.541 37.432 998 HB3 GLU 135 HB2 GLU 135 -4.804 -1.079 36.806 999 HG2 GLU 135 HG3 GLU 135 -6.092 1.464 35.761 1000 HG3 GLU 135 HG2 GLU 135 -4.760 0.611 34.991 1001 H SER 136 H SER 136 -7.913 -0.485 39.914 1002 HA SER 136 HA SER 136 -5.824 -1.487 41.694 1003 HB2 SER 136 HB3 SER 136 -7.346 0.215 42.560 1004 HB3 SER 136 HB2 SER 136 -8.733 -0.808 42.194 1005 HG SER 136 HG SER 136 -7.176 -0.807 44.359 Start of MODEL 2 1 H MET 1 H1 MET 1 -5.288 27.075 31.612 2 HA MET 1 HA MET 1 -6.529 26.583 29.627 3 HB2 MET 1 HB3 MET 1 -8.220 26.678 32.147 4 HB3 MET 1 HB2 MET 1 -8.595 25.710 30.724 5 HG2 MET 1 HG3 MET 1 -6.047 25.464 32.354 6 HG3 MET 1 HG2 MET 1 -7.437 24.390 32.493 7 HE1 MET 1 HE1 MET 1 -8.396 23.862 29.358 8 HE2 MET 1 HE2 MET 1 -8.385 23.050 30.922 9 HE3 MET 1 HE3 MET 1 -7.615 22.284 29.535 10 H THR 2 H THR 2 -6.395 29.443 29.548 11 HA THR 2 HA THR 2 -9.193 30.183 28.932 12 HB THR 2 HB THR 2 -8.394 32.539 29.127 13 HG1 THR 2 HG1 THR 2 -6.322 32.705 30.249 14 HG21 THR 2 HG21 THR 2 -8.055 30.658 31.469 15 HG22 THR 2 HG22 THR 2 -9.468 31.629 31.055 16 HG23 THR 2 HG23 THR 2 -8.004 32.412 31.646 17 H ASN 3 H ASN 3 -5.893 31.063 27.854 18 HA ASN 3 HA ASN 3 -6.617 30.503 25.083 19 HB2 ASN 3 HB3 ASN 3 -7.314 32.877 25.546 20 HB3 ASN 3 HB2 ASN 3 -5.626 33.245 25.881 21 HD21 ASN 3 HD21 ASN 3 -6.318 34.758 23.899 22 HD22 ASN 3 HD22 ASN 3 -5.941 34.133 22.368 23 H PHE 4 H PHE 4 -5.009 29.160 24.577 24 HA PHE 4 HA PHE 4 -2.343 29.440 25.683 25 HB2 PHE 4 HB3 PHE 4 -3.535 27.503 23.693 26 HB3 PHE 4 HB2 PHE 4 -1.875 27.423 24.275 27 HD1 PHE 4 HD1 PHE 4 -5.433 27.146 25.243 28 HD2 PHE 4 HD2 PHE 4 -1.360 26.683 26.521 29 HE1 PHE 4 HE1 PHE 4 -6.204 25.928 27.262 30 HE2 PHE 4 HE2 PHE 4 -2.129 25.471 28.541 31 HZ PHE 4 HZ PHE 4 -4.552 25.093 28.912 32 H LYS 5 H LYS 5 -3.946 30.719 22.980 33 HA LYS 5 HA LYS 5 -1.948 30.668 20.996 34 HB2 LYS 5 HB3 LYS 5 -4.131 32.723 21.448 35 HB3 LYS 5 HB2 LYS 5 -3.235 32.486 19.949 36 HG2 LYS 5 HG3 LYS 5 -4.898 30.325 21.274 37 HG3 LYS 5 HG2 LYS 5 -5.502 31.369 19.993 38 HD2 LYS 5 HD3 LYS 5 -3.898 30.495 18.418 39 HD3 LYS 5 HD2 LYS 5 -3.049 29.612 19.686 40 HE2 LYS 5 HE3 LYS 5 -5.049 28.267 20.114 41 HE3 LYS 5 HE2 LYS 5 -5.909 29.131 18.836 42 HZ1 LYS 5 HZ1 LYS 5 -5.143 27.319 17.694 43 HZ2 LYS 5 HZ2 LYS 5 -3.726 27.182 18.622 44 HZ3 LYS 5 HZ3 LYS 5 -3.854 28.391 17.435 45 H LEU 6 H LEU 6 -2.609 32.916 23.623 46 HA LEU 6 HA LEU 6 -0.756 34.931 22.824 47 HB2 LEU 6 HB3 LEU 6 -2.453 34.328 25.189 48 HB3 LEU 6 HB2 LEU 6 -1.066 35.365 25.483 49 HG LEU 6 HG LEU 6 -1.830 36.946 23.772 50 HD11 LEU 6 HD11 LEU 6 -2.930 35.772 22.074 51 HD12 LEU 6 HD12 LEU 6 -4.306 36.474 22.922 52 HD13 LEU 6 HD13 LEU 6 -3.854 34.793 23.207 53 HD21 LEU 6 HD21 LEU 6 -4.161 36.171 25.541 54 HD22 LEU 6 HD22 LEU 6 -3.767 37.783 24.941 55 HD23 LEU 6 HD23 LEU 6 -2.726 37.005 26.135 56 H ILE 7 H ILE 7 -0.278 31.854 24.248 57 HA ILE 7 HA ILE 7 1.945 32.344 25.907 58 HB ILE 7 HB ILE 7 1.249 29.873 24.294 59 HG12 ILE 7 HG13 ILE 7 0.771 30.492 27.225 60 HG13 ILE 7 HG12 ILE 7 -0.449 30.709 25.975 61 HG21 ILE 7 HG21 ILE 7 3.622 29.860 24.996 62 HG22 ILE 7 HG22 ILE 7 2.704 28.685 25.932 63 HG23 ILE 7 HG23 ILE 7 3.145 30.233 26.650 64 HD11 ILE 7 HD11 ILE 7 0.967 28.092 26.524 65 HD12 ILE 7 HD12 ILE 7 -0.392 28.349 25.431 66 HD13 ILE 7 HD13 ILE 7 -0.620 28.508 27.173 67 H THR 8 H THR 8 4.088 32.429 25.540 68 HA THR 8 HA THR 8 4.961 33.208 22.895 69 HB THR 8 HB THR 8 7.097 33.698 24.024 70 HG1 THR 8 HG1 THR 8 7.045 33.453 26.356 71 HG21 THR 8 HG21 THR 8 4.666 34.712 25.518 72 HG22 THR 8 HG22 THR 8 5.325 35.403 24.035 73 HG23 THR 8 HG23 THR 8 6.260 35.467 25.529 74 H ASP 9 H ASP 9 7.037 32.325 22.050 75 HA ASP 9 HA ASP 9 6.829 29.541 21.658 76 HB2 ASP 9 HB3 ASP 9 9.032 29.762 20.517 77 HB3 ASP 9 HB2 ASP 9 7.852 30.948 19.968 78 H THR 10 H THR 10 8.904 31.493 23.747 79 HA THR 10 HA THR 10 10.623 29.431 24.625 80 HB THR 10 HB THR 10 9.760 31.945 26.094 81 HG1 THR 10 HG1 THR 10 10.717 32.220 23.994 82 HG21 THR 10 HG21 THR 10 10.934 30.109 27.448 83 HG22 THR 10 HG22 THR 10 11.735 31.680 27.425 84 HG23 THR 10 HG23 THR 10 12.331 30.372 26.404 85 H GLU 11 H GLU 11 7.545 30.667 25.941 86 HA GLU 11 HA GLU 11 7.472 29.099 28.264 87 HB2 GLU 11 HB3 GLU 11 5.265 30.276 26.581 88 HB3 GLU 11 HB2 GLU 11 4.972 29.455 28.112 89 HG2 GLU 11 HG3 GLU 11 6.359 31.038 29.299 90 HG3 GLU 11 HG2 GLU 11 6.889 31.778 27.799 91 H TRP 12 H TRP 12 6.384 28.380 24.963 92 HA TRP 12 HA TRP 12 5.116 25.918 25.573 93 HB2 TRP 12 HB3 TRP 12 6.263 27.121 23.072 94 HB3 TRP 12 HB2 TRP 12 5.752 25.437 23.077 95 HD1 TRP 12 HD1 TRP 12 4.444 28.828 22.552 96 HE1 TRP 12 HE1 TRP 12 1.864 28.807 22.529 97 HE3 TRP 12 HE3 TRP 12 3.587 24.184 24.488 98 HZ2 TRP 12 HZ2 TRP 12 -0.280 27.043 23.238 99 HZ3 TRP 12 HZ3 TRP 12 1.276 23.355 24.800 100 HH2 TRP 12 HH2 TRP 12 -0.659 24.776 24.179 101 H ARG 13 H ARG 13 8.463 26.749 24.758 102 HA ARG 13 HA ARG 13 9.450 24.111 24.488 103 HB2 ARG 13 HB3 ARG 13 10.811 26.706 25.225 104 HB3 ARG 13 HB2 ARG 13 11.681 25.195 24.958 105 HG2 ARG 13 HG3 ARG 13 10.826 25.051 22.682 106 HG3 ARG 13 HG2 ARG 13 9.821 26.478 22.935 107 HD2 ARG 13 HD3 ARG 13 11.846 27.117 21.733 108 HD3 ARG 13 HD2 ARG 13 11.873 27.819 23.347 109 HE ARG 13 HE ARG 13 13.188 25.288 23.336 110 HH11 ARG 13 HH11 ARG 13 13.639 28.621 22.345 111 HH12 ARG 13 HH12 ARG 13 15.366 28.540 22.455 112 HH21 ARG 13 HH21 ARG 13 15.434 25.229 23.465 113 HH22 ARG 13 HH22 ARG 13 16.373 26.634 23.084 114 H GLN 14 H GLN 14 9.169 26.278 27.258 115 HA GLN 14 HA GLN 14 10.325 24.279 29.059 116 HB2 GLN 14 HB3 GLN 14 9.895 26.075 30.825 117 HB3 GLN 14 HB2 GLN 14 11.079 26.458 29.582 118 HG2 GLN 14 HG3 GLN 14 9.851 28.165 28.757 119 HG3 GLN 14 HG2 GLN 14 8.345 27.276 28.861 120 HE21 GLN 14 HE21 GLN 14 8.544 30.029 29.578 121 HE22 GLN 14 HE22 GLN 14 8.255 30.163 31.243 122 H ARG 15 H ARG 15 7.438 24.406 27.691 123 HA ARG 15 HA ARG 15 5.836 23.863 30.109 124 HB2 ARG 15 HB3 ARG 15 5.257 24.794 27.337 125 HB3 ARG 15 HB2 ARG 15 4.026 23.806 28.117 126 HG2 ARG 15 HG3 ARG 15 3.756 25.360 29.893 127 HG3 ARG 15 HG2 ARG 15 5.227 26.234 29.466 128 HD2 ARG 15 HD3 ARG 15 4.228 26.986 27.393 129 HD3 ARG 15 HD2 ARG 15 2.793 26.008 27.677 130 HE ARG 15 HE ARG 15 3.465 28.550 28.951 131 HH11 ARG 15 HH11 ARG 15 1.432 25.694 29.026 132 HH12 ARG 15 HH12 ARG 15 0.209 26.451 29.989 133 HH21 ARG 15 HH21 ARG 15 1.849 29.492 30.200 134 HH22 ARG 15 HH22 ARG 15 0.444 28.583 30.647 135 H LEU 16 H LEU 16 6.785 22.539 26.989 136 HA LEU 16 HA LEU 16 6.082 19.840 27.913 137 HB2 LEU 16 HB3 LEU 16 5.237 19.468 25.462 138 HB3 LEU 16 HB2 LEU 16 4.165 20.190 26.651 139 HG LEU 16 HG LEU 16 4.905 22.470 25.781 140 HD11 LEU 16 HD11 LEU 16 6.978 21.831 24.695 141 HD12 LEU 16 HD12 LEU 16 5.871 22.469 23.481 142 HD13 LEU 16 HD13 LEU 16 6.119 20.728 23.621 143 HD21 LEU 16 HD21 LEU 16 3.396 20.475 24.102 144 HD22 LEU 16 HD22 LEU 16 3.585 22.144 23.565 145 HD23 LEU 16 HD23 LEU 16 2.769 21.794 25.087 146 H SER 17 H SER 17 6.775 18.214 26.087 147 HA SER 17 HA SER 17 9.577 18.213 25.985 148 HB2 SER 17 HB3 SER 17 7.511 16.675 24.413 149 HB3 SER 17 HB2 SER 17 9.238 16.357 24.285 150 HG SER 17 HG SER 17 8.212 15.038 25.861 151 H SER 18 H SER 18 11.008 18.358 24.199 152 HA SER 18 HA SER 18 10.663 20.624 22.570 153 HB2 SER 18 HB3 SER 18 12.558 18.282 22.295 154 HB3 SER 18 HB2 SER 18 12.661 19.754 21.332 155 HG SER 18 HG SER 18 13.588 20.674 22.967 156 H GLU 19 H GLU 19 10.159 17.187 21.982 157 HA GLU 19 HA GLU 19 9.556 17.408 19.218 158 HB2 GLU 19 HB3 GLU 19 8.409 15.161 19.595 159 HB3 GLU 19 HB2 GLU 19 10.122 15.232 19.972 160 HG2 GLU 19 HG3 GLU 19 8.320 15.865 22.242 161 HG3 GLU 19 HG2 GLU 19 8.205 14.215 21.648 162 H GLU 20 H GLU 20 7.521 17.494 22.145 163 HA GLU 20 HA GLU 20 5.020 17.597 20.864 164 HB2 GLU 20 HB3 GLU 20 6.080 18.195 23.566 165 HB3 GLU 20 HB2 GLU 20 4.617 19.074 23.141 166 HG2 GLU 20 HG3 GLU 20 3.669 17.161 24.019 167 HG3 GLU 20 HG2 GLU 20 3.818 16.650 22.340 168 H TYR 21 H TYR 21 7.402 20.090 21.596 169 HA TYR 21 HA TYR 21 5.836 22.377 21.178 170 HB2 TYR 21 HB3 TYR 21 8.089 22.431 22.163 171 HB3 TYR 21 HB2 TYR 21 8.791 21.909 20.641 172 HD1 TYR 21 HD1 TYR 21 7.497 24.745 22.546 173 HD2 TYR 21 HD2 TYR 21 8.712 23.409 18.644 174 HE1 TYR 21 HE1 TYR 21 7.660 27.099 21.775 175 HE2 TYR 21 HE2 TYR 21 8.875 25.761 17.886 176 HH TYR 21 HH TYR 21 9.089 27.952 18.730 177 H ARG 22 H ARG 22 7.942 20.646 18.809 178 HA ARG 22 HA ARG 22 7.077 22.296 16.624 179 HB2 ARG 22 HB3 ARG 22 8.445 20.893 15.219 180 HB3 ARG 22 HB2 ARG 22 9.318 21.198 16.715 181 HG2 ARG 22 HG3 ARG 22 8.513 18.974 17.572 182 HG3 ARG 22 HG2 ARG 22 7.795 18.670 15.985 183 HD2 ARG 22 HD3 ARG 22 9.995 17.626 16.077 184 HD3 ARG 22 HD2 ARG 22 10.044 18.980 14.953 185 HE ARG 22 HE ARG 22 10.812 19.796 17.584 186 HH11 ARG 22 HH11 ARG 22 12.004 18.124 14.741 187 HH12 ARG 22 HH12 ARG 22 13.662 18.501 15.076 188 HH21 ARG 22 HH21 ARG 22 12.979 20.259 17.978 189 HH22 ARG 22 HH22 ARG 22 14.207 19.699 16.893 190 H VAL 23 H VAL 23 6.261 19.087 17.774 191 HA VAL 23 HA VAL 23 4.672 18.233 15.626 192 HB VAL 23 HB VAL 23 4.731 17.514 18.564 193 HG11 VAL 23 HG11 VAL 23 3.561 15.377 17.744 194 HG12 VAL 23 HG12 VAL 23 3.118 16.308 16.311 195 HG13 VAL 23 HG13 VAL 23 2.557 16.818 17.902 196 HG21 VAL 23 HG21 VAL 23 6.067 15.666 17.848 197 HG22 VAL 23 HG22 VAL 23 6.712 17.073 17.005 198 HG23 VAL 23 HG23 VAL 23 5.667 15.942 16.153 199 H LEU 24 H LEU 24 3.732 19.863 18.654 200 HA LEU 24 HA LEU 24 0.958 19.998 17.993 201 HB2 LEU 24 HB3 LEU 24 2.638 21.473 20.027 202 HB3 LEU 24 HB2 LEU 24 0.889 21.649 19.898 203 HG LEU 24 HG LEU 24 2.260 18.969 20.284 204 HD11 LEU 24 HD11 LEU 24 0.906 20.661 22.396 205 HD12 LEU 24 HD12 LEU 24 2.651 20.625 22.155 206 HD13 LEU 24 HD13 LEU 24 1.798 19.159 22.636 207 HD21 LEU 24 HD21 LEU 24 0.081 18.553 19.490 208 HD22 LEU 24 HD22 LEU 24 -0.600 19.952 20.320 209 HD23 LEU 24 HD23 LEU 24 -0.149 18.513 21.237 210 H ARG 25 H ARG 25 3.701 22.189 17.598 211 HA ARG 25 HA ARG 25 2.245 24.504 16.972 212 HB2 ARG 25 HB3 ARG 25 4.642 24.464 17.600 213 HB3 ARG 25 HB2 ARG 25 5.021 23.774 16.024 214 HG2 ARG 25 HG3 ARG 25 3.924 25.795 14.974 215 HG3 ARG 25 HG2 ARG 25 3.801 26.493 16.589 216 HD2 ARG 25 HD3 ARG 25 5.817 27.357 15.597 217 HD3 ARG 25 HD2 ARG 25 6.297 26.182 16.818 218 HE ARG 25 HE ARG 25 6.042 24.901 14.294 219 HH11 ARG 25 HH11 ARG 25 8.155 27.102 16.022 220 HH12 ARG 25 HH12 ARG 25 9.560 26.643 15.120 221 HH21 ARG 25 HH21 ARG 25 7.893 24.338 13.146 222 HH22 ARG 25 HH22 ARG 25 9.411 25.089 13.507 223 H GLU 26 H GLU 26 3.752 22.134 14.735 224 HA GLU 26 HA GLU 26 1.893 23.094 12.647 225 HB2 GLU 26 HB3 GLU 26 3.734 23.020 11.005 226 HB3 GLU 26 HB2 GLU 26 4.022 24.201 12.280 227 HG2 GLU 26 HG3 GLU 26 5.422 22.500 13.478 228 HG3 GLU 26 HG2 GLU 26 5.210 21.412 12.112 229 H ALA 27 H ALA 27 2.155 20.489 14.334 230 HA ALA 27 HA ALA 27 1.812 18.226 13.963 231 HB1 ALA 27 HB1 ALA 27 0.302 19.559 12.043 232 HB2 ALA 27 HB2 ALA 27 0.200 17.844 12.426 233 HB3 ALA 27 HB3 ALA 27 1.215 18.390 11.096 234 H GLY 28 H GLY 28 4.378 19.015 13.942 235 HA2 GLY 28 HA3 GLY 28 5.961 18.525 11.703 236 HA3 GLY 28 HA2 GLY 28 6.501 18.387 13.367 237 H THR 29 H THR 29 4.860 16.221 14.218 238 HA THR 29 HA THR 29 4.805 13.976 12.547 239 HB THR 29 HB THR 29 7.025 12.998 13.947 240 HG1 THR 29 HG1 THR 29 8.395 14.533 14.223 241 HG21 THR 29 HG21 THR 29 7.661 14.145 11.295 242 HG22 THR 29 HG22 THR 29 6.252 13.085 11.323 243 HG23 THR 29 HG23 THR 29 7.815 12.490 11.875 244 H GLU 30 H GLU 30 5.379 11.872 14.169 245 HA GLU 30 HA GLU 30 4.392 12.350 16.855 246 HB2 GLU 30 HB3 GLU 30 2.491 10.720 16.583 247 HB3 GLU 30 HB2 GLU 30 2.260 12.241 15.729 248 HG2 GLU 30 HG3 GLU 30 3.032 11.167 13.630 249 HG3 GLU 30 HG2 GLU 30 3.222 9.641 14.487 250 H ALA 31 H ALA 31 6.767 11.565 16.705 251 HA ALA 31 HA ALA 31 6.959 8.639 16.499 252 HB1 ALA 31 HB1 ALA 31 9.418 9.080 16.747 253 HB2 ALA 31 HB2 ALA 31 9.051 10.806 16.721 254 HB3 ALA 31 HB3 ALA 31 8.685 9.804 15.315 255 HA PRO 32 HA PRO 32 6.778 8.653 21.052 256 HB2 PRO 32 HB3 PRO 32 6.482 5.985 21.377 257 HB3 PRO 32 HB2 PRO 32 5.151 7.018 20.811 258 HG2 PRO 32 HG3 PRO 32 7.013 5.315 19.203 259 HG3 PRO 32 HG2 PRO 32 5.253 5.450 19.094 260 HD2 PRO 32 HD3 PRO 32 6.910 6.748 17.414 261 HD3 PRO 32 HD2 PRO 32 5.342 7.417 17.920 262 H HIS 33 H HIS 33 7.909 6.837 22.648 263 HA HIS 33 HA HIS 33 9.876 6.130 23.574 264 HB2 HIS 33 HB3 HIS 33 10.532 5.598 20.669 265 HB3 HIS 33 HB2 HIS 33 11.533 5.068 22.020 266 HD1 HIS 33 HD1 HIS 33 10.575 3.204 23.568 267 HD2 HIS 33 HD2 HIS 33 8.079 4.197 20.386 268 HE1 HIS 33 HE1 HIS 33 8.795 1.404 23.467 269 HE2 HIS 33 HE2 HIS 33 7.267 1.993 21.526 270 H THR 34 H THR 34 9.568 8.887 23.187 271 HA THR 34 HA THR 34 12.320 9.795 22.580 272 HB THR 34 HB THR 34 11.321 12.049 22.310 273 HG1 THR 34 HG1 THR 34 8.949 10.578 22.777 274 HG21 THR 34 HG21 THR 34 10.129 11.553 20.183 275 HG22 THR 34 HG22 THR 34 10.082 9.848 20.633 276 HG23 THR 34 HG23 THR 34 11.630 10.641 20.339 277 H GLY 35 H GLY 35 11.009 8.662 25.156 278 HA2 GLY 35 HA3 GLY 35 12.447 10.243 27.015 279 HA3 GLY 35 HA2 GLY 35 10.720 10.581 27.133 280 H GLU 36 H GLU 36 12.978 8.898 28.604 281 HA GLU 36 HA GLU 36 12.029 6.239 28.710 282 HB2 GLU 36 HB3 GLU 36 13.515 6.009 30.614 283 HB3 GLU 36 HB2 GLU 36 14.276 6.973 29.352 284 HG2 GLU 36 HG3 GLU 36 13.640 9.045 30.549 285 HG3 GLU 36 HG2 GLU 36 12.928 8.069 31.831 286 H TYR 37 H TYR 37 11.076 9.134 30.377 287 HA TYR 37 HA TYR 37 9.561 7.823 32.452 288 HB2 TYR 37 HB3 TYR 37 9.609 10.685 31.478 289 HB3 TYR 37 HB2 TYR 37 8.668 10.129 32.863 290 HD1 TYR 37 HD1 TYR 37 12.041 10.791 31.564 291 HD2 TYR 37 HD2 TYR 37 9.770 9.351 34.914 292 HE1 TYR 37 HE1 TYR 37 14.052 10.971 33.005 293 HE2 TYR 37 HE2 TYR 37 11.781 9.531 36.355 294 HH TYR 37 HH TYR 37 14.781 9.677 35.309 295 H THR 38 H THR 38 8.977 8.407 29.142 296 HA THR 38 HA THR 38 6.233 8.968 29.076 297 HB THR 38 HB THR 38 7.952 7.426 27.107 298 HG1 THR 38 HG1 THR 38 8.799 9.299 26.779 299 HG21 THR 38 HG21 THR 38 6.260 8.382 25.475 300 HG22 THR 38 HG22 THR 38 5.274 8.801 26.874 301 HG23 THR 38 HG23 THR 38 5.649 7.113 26.535 302 H ASN 39 H ASN 39 8.026 5.901 29.139 303 HA ASN 39 HA ASN 39 5.858 4.149 28.797 304 HB2 ASN 39 HB3 ASN 39 8.321 3.579 28.694 305 HB3 ASN 39 HB2 ASN 39 8.317 3.587 30.457 306 HD21 ASN 39 HD21 ASN 39 8.573 1.323 30.811 307 HD22 ASN 39 HD22 ASN 39 7.436 0.172 30.299 308 H THR 40 H THR 40 4.277 3.480 30.076 309 HA THR 40 HA THR 40 4.449 3.975 32.985 310 HB THR 40 HB THR 40 2.054 4.584 32.975 311 HG1 THR 40 HG1 THR 40 1.247 5.127 30.798 312 HG21 THR 40 HG21 THR 40 3.959 6.195 31.273 313 HG22 THR 40 HG22 THR 40 3.507 6.458 32.956 314 HG23 THR 40 HG23 THR 40 2.345 6.783 31.670 315 H THR 41 H THR 41 3.000 2.611 34.256 316 HA THR 41 HA THR 41 2.508 -0.002 32.946 317 HB THR 41 HB THR 41 2.906 0.328 35.911 318 HG1 THR 41 HG1 THR 41 4.820 1.040 35.439 319 HG21 THR 41 HG21 THR 41 3.477 -1.964 35.853 320 HG22 THR 41 HG22 THR 41 3.788 -1.930 34.117 321 HG23 THR 41 HG23 THR 41 2.134 -1.838 34.716 322 H THR 42 H THR 42 0.706 2.472 33.448 323 HA THR 42 HA THR 42 -1.518 0.975 34.695 324 HB THR 42 HB THR 42 -1.055 3.961 34.938 325 HG1 THR 42 HG1 THR 42 -0.830 1.945 36.913 326 HG21 THR 42 HG21 THR 42 -2.871 3.798 36.615 327 HG22 THR 42 HG22 THR 42 -3.051 2.084 36.237 328 HG23 THR 42 HG23 THR 42 -3.421 3.300 35.014 329 H GLU 43 H GLU 43 -3.519 1.210 33.753 330 HA GLU 43 HA GLU 43 -3.566 2.533 31.107 331 HB2 GLU 43 HB3 GLU 43 -3.854 0.021 31.129 332 HB3 GLU 43 HB2 GLU 43 -5.325 0.259 32.072 333 HG2 GLU 43 HG3 GLU 43 -6.293 1.611 30.275 334 HG3 GLU 43 HG2 GLU 43 -4.806 1.467 29.340 335 H GLY 44 H GLY 44 -4.470 4.478 31.430 336 HA2 GLY 44 HA3 GLY 44 -7.024 4.574 32.908 337 HA3 GLY 44 HA2 GLY 44 -5.750 5.731 33.242 338 H ILE 45 H ILE 45 -6.087 7.625 32.389 339 HA ILE 45 HA ILE 45 -7.570 7.824 29.833 340 HB ILE 45 HB ILE 45 -7.467 9.762 32.164 341 HG12 ILE 45 HG13 ILE 45 -9.919 8.303 31.159 342 HG13 ILE 45 HG12 ILE 45 -8.835 7.514 32.302 343 HG21 ILE 45 HG21 ILE 45 -7.712 10.731 29.782 344 HG22 ILE 45 HG22 ILE 45 -8.966 11.161 30.949 345 HG23 ILE 45 HG23 ILE 45 -9.277 9.913 29.745 346 HD11 ILE 45 HD11 ILE 45 -9.230 9.103 33.980 347 HD12 ILE 45 HD12 ILE 45 -10.824 8.857 33.262 348 HD13 ILE 45 HD13 ILE 45 -9.883 10.289 32.843 349 H TYR 46 H TYR 46 -6.691 8.881 28.211 350 HA TYR 46 HA TYR 46 -3.953 9.655 28.255 351 HB2 TYR 46 HB3 TYR 46 -6.185 9.688 26.258 352 HB3 TYR 46 HB2 TYR 46 -4.753 10.650 25.916 353 HD1 TYR 46 HD1 TYR 46 -5.575 7.193 27.195 354 HD2 TYR 46 HD2 TYR 46 -3.110 9.619 24.646 355 HE1 TYR 46 HE1 TYR 46 -4.406 5.159 26.392 356 HE2 TYR 46 HE2 TYR 46 -1.930 7.583 23.851 357 HH TYR 46 HH TYR 46 -1.517 5.174 24.893 358 H SER 47 H SER 47 -3.032 11.647 28.480 359 HA SER 47 HA SER 47 -4.803 13.978 28.497 360 HB2 SER 47 HB3 SER 47 -3.702 14.890 30.488 361 HB3 SER 47 HB2 SER 47 -4.504 13.364 30.838 362 HG SER 47 HG SER 47 -2.445 13.316 31.701 363 H CYS 48 H CYS 48 -4.102 15.549 27.273 364 HA CYS 48 HA CYS 48 -1.869 15.503 25.632 365 HB2 CYS 48 HB3 CYS 48 -4.007 17.050 25.683 366 HB3 CYS 48 HB2 CYS 48 -2.983 18.117 26.612 367 H ARG 49 H ARG 49 0.237 15.876 25.968 368 HA ARG 49 HA ARG 49 1.316 16.327 28.533 369 HB2 ARG 49 HB3 ARG 49 2.557 15.215 26.699 370 HB3 ARG 49 HB2 ARG 49 2.617 16.738 25.821 371 HG2 ARG 49 HG3 ARG 49 4.740 16.459 26.946 372 HG3 ARG 49 HG2 ARG 49 3.860 17.735 27.782 373 HD2 ARG 49 HD3 ARG 49 3.125 16.090 29.491 374 HD3 ARG 49 HD2 ARG 49 4.043 14.836 28.664 375 HE ARG 49 HE ARG 49 6.003 15.748 29.534 376 HH11 ARG 49 HH11 ARG 49 3.342 17.967 30.074 377 HH12 ARG 49 HH12 ARG 49 4.260 18.989 31.129 378 HH21 ARG 49 HH21 ARG 49 7.155 17.103 30.910 379 HH22 ARG 49 HH22 ARG 49 6.400 18.503 31.597 380 H ALA 50 H ALA 50 0.527 18.470 25.868 381 HA ALA 50 HA ALA 50 1.860 20.801 26.695 382 HB1 ALA 50 HB1 ALA 50 0.053 21.920 25.273 383 HB2 ALA 50 HB2 ALA 50 -0.567 20.291 24.999 384 HB3 ALA 50 HB3 ALA 50 1.071 20.716 24.482 385 H CYS 51 H CYS 51 -1.552 19.879 27.212 386 HA CYS 51 HA CYS 51 -1.720 21.989 29.286 387 HB2 CYS 51 HB3 CYS 51 -4.267 21.813 28.686 388 HB3 CYS 51 HB2 CYS 51 -3.186 22.765 27.675 389 H GLY 52 H GLY 52 -2.710 18.721 28.413 390 HA2 GLY 52 HA3 GLY 52 -2.751 16.966 30.057 391 HA3 GLY 52 HA2 GLY 52 -3.184 18.163 31.270 392 H THR 53 H THR 53 -4.759 18.297 28.163 393 HA THR 53 HA THR 53 -7.355 17.975 29.350 394 HB THR 53 HB THR 53 -7.616 17.624 26.549 395 HG1 THR 53 HG1 THR 53 -5.517 18.140 26.198 396 HG21 THR 53 HG21 THR 53 -7.637 20.279 27.985 397 HG22 THR 53 HG22 THR 53 -8.927 19.087 28.162 398 HG23 THR 53 HG23 THR 53 -8.589 19.794 26.581 399 H GLU 54 H GLU 54 -8.780 16.267 29.260 400 HA GLU 54 HA GLU 54 -7.648 13.637 28.949 401 HB2 GLU 54 HB3 GLU 54 -10.512 14.520 29.398 402 HB3 GLU 54 HB2 GLU 54 -9.941 12.854 29.487 403 HG2 GLU 54 HG3 GLU 54 -8.381 13.518 31.305 404 HG3 GLU 54 HG2 GLU 54 -9.035 15.152 31.236 405 H LEU 55 H LEU 55 -6.960 14.129 26.739 406 HA LEU 55 HA LEU 55 -8.654 14.593 24.572 407 HB2 LEU 55 HB3 LEU 55 -6.063 13.014 24.625 408 HB3 LEU 55 HB2 LEU 55 -6.788 13.726 23.194 409 HG LEU 55 HG LEU 55 -5.724 15.224 25.606 410 HD11 LEU 55 HD11 LEU 55 -4.090 16.083 23.839 411 HD12 LEU 55 HD12 LEU 55 -4.664 14.758 22.829 412 HD13 LEU 55 HD13 LEU 55 -3.887 14.416 24.375 413 HD21 LEU 55 HD21 LEU 55 -6.337 16.721 23.095 414 HD22 LEU 55 HD22 LEU 55 -6.481 17.218 24.783 415 HD23 LEU 55 HD23 LEU 55 -7.724 16.221 24.055 416 H PHE 56 H PHE 56 -7.606 11.544 26.019 417 HA PHE 56 HA PHE 56 -9.847 10.180 24.738 418 HB2 PHE 56 HB3 PHE 56 -6.960 9.349 24.340 419 HB3 PHE 56 HB2 PHE 56 -8.351 8.348 23.926 420 HD1 PHE 56 HD1 PHE 56 -6.371 11.299 23.032 421 HD2 PHE 56 HD2 PHE 56 -9.897 9.022 22.116 422 HE1 PHE 56 HE1 PHE 56 -6.574 12.487 20.864 423 HE2 PHE 56 HE2 PHE 56 -10.100 10.211 19.949 424 HZ PHE 56 HZ PHE 56 -8.439 11.942 19.323 425 H ARG 57 H ARG 57 -10.009 7.867 25.537 426 HA ARG 57 HA ARG 57 -8.700 7.366 28.089 427 HB2 ARG 57 HB3 ARG 57 -10.824 6.893 29.240 428 HB3 ARG 57 HB2 ARG 57 -10.699 8.582 28.761 429 HG2 ARG 57 HG3 ARG 57 -12.088 8.107 26.765 430 HG3 ARG 57 HG2 ARG 57 -12.229 6.427 27.283 431 HD2 ARG 57 HD3 ARG 57 -13.081 8.784 28.978 432 HD3 ARG 57 HD2 ARG 57 -14.184 7.865 27.957 433 HE ARG 57 HE ARG 57 -12.850 6.021 29.576 434 HH11 ARG 57 HH11 ARG 57 -15.042 8.721 30.015 435 HH12 ARG 57 HH12 ARG 57 -15.731 8.073 31.466 436 HH21 ARG 57 HH21 ARG 57 -13.775 5.216 31.460 437 HH22 ARG 57 HH22 ARG 57 -15.019 6.104 32.275 438 H SER 58 H SER 58 -8.996 5.194 28.846 439 HA SER 58 HA SER 58 -8.449 3.285 26.917 440 HB2 SER 58 HB3 SER 58 -7.824 3.059 29.270 441 HB3 SER 58 HB2 SER 58 -9.517 2.848 29.707 442 HG SER 58 HG SER 58 -8.195 0.885 29.356 443 H THR 59 H THR 59 -11.590 4.278 28.131 444 HA THR 59 HA THR 59 -13.036 1.955 27.538 445 HB THR 59 HB THR 59 -13.790 4.103 28.790 446 HG1 THR 59 HG1 THR 59 -15.371 2.765 28.865 447 HG21 THR 59 HG21 THR 59 -13.684 5.316 26.328 448 HG22 THR 59 HG22 THR 59 -14.707 5.853 27.657 449 HG23 THR 59 HG23 THR 59 -15.372 4.822 26.403 450 H GLU 60 H GLU 60 -11.908 4.461 25.360 451 HA GLU 60 HA GLU 60 -13.182 3.009 23.108 452 HB2 GLU 60 HB3 GLU 60 -12.908 5.894 23.717 453 HB3 GLU 60 HB2 GLU 60 -12.516 5.466 22.056 454 HG2 GLU 60 HG3 GLU 60 -14.854 5.949 22.066 455 HG3 GLU 60 HG2 GLU 60 -14.731 4.192 22.001 456 H LYS 61 H LYS 61 -10.474 2.641 24.483 457 HA LYS 61 HA LYS 61 -8.713 3.156 22.166 458 HB2 LYS 61 HB3 LYS 61 -7.975 4.100 24.303 459 HB3 LYS 61 HB2 LYS 61 -8.015 2.501 25.035 460 HG2 LYS 61 HG3 LYS 61 -6.271 1.723 23.496 461 HG3 LYS 61 HG2 LYS 61 -6.272 3.282 22.681 462 HD2 LYS 61 HD3 LYS 61 -4.421 3.348 24.190 463 HD3 LYS 61 HD2 LYS 61 -5.686 4.320 24.939 464 HE2 LYS 61 HE3 LYS 61 -6.328 2.441 26.372 465 HE3 LYS 61 HE2 LYS 61 -5.142 1.404 25.581 466 HZ1 LYS 61 HZ1 LYS 61 -4.729 3.597 27.474 467 HZ2 LYS 61 HZ2 LYS 61 -3.547 3.345 26.280 468 HZ3 LYS 61 HZ3 LYS 61 -3.941 2.099 27.366 469 H PHE 62 H PHE 62 -8.297 1.541 20.875 470 HA PHE 62 HA PHE 62 -8.027 -1.187 21.951 471 HB2 PHE 62 HB3 PHE 62 -9.698 -0.440 19.538 472 HB3 PHE 62 HB2 PHE 62 -9.269 -2.090 19.991 473 HD1 PHE 62 HD1 PHE 62 -11.201 0.906 20.962 474 HD2 PHE 62 HD2 PHE 62 -10.284 -3.181 21.904 475 HE1 PHE 62 HE1 PHE 62 -13.112 0.843 22.540 476 HE2 PHE 62 HE2 PHE 62 -12.193 -3.246 23.485 477 HZ PHE 62 HZ PHE 62 -13.608 -1.233 23.803 478 H ASN 63 H ASN 63 -6.628 -2.538 20.751 479 HA ASN 63 HA ASN 63 -4.749 -1.050 19.044 480 HB2 ASN 63 HB3 ASN 63 -4.521 -3.684 20.508 481 HB3 ASN 63 HB2 ASN 63 -3.284 -3.066 19.418 482 HD21 ASN 63 HD21 ASN 63 -2.922 -3.509 22.293 483 HD22 ASN 63 HD22 ASN 63 -2.589 -1.997 22.990 484 H SER 64 H SER 64 -5.102 -1.169 16.931 485 HA SER 64 HA SER 64 -6.182 -3.679 15.792 486 HB2 SER 64 HB3 SER 64 -6.340 -0.839 14.764 487 HB3 SER 64 HB2 SER 64 -6.916 -2.254 13.887 488 HG SER 64 HG SER 64 -8.664 -2.059 15.020 489 H HIS 65 H HIS 65 -3.733 -1.152 15.424 490 HA HIS 65 HA HIS 65 -2.162 -2.993 13.743 491 HB2 HIS 65 HB3 HIS 65 -2.632 -0.063 13.134 492 HB3 HIS 65 HB2 HIS 65 -1.499 -1.109 12.279 493 HD1 HIS 65 HD1 HIS 65 -2.690 -3.354 11.195 494 HD2 HIS 65 HD2 HIS 65 -5.185 -0.128 12.061 495 HE1 HIS 65 HE1 HIS 65 -4.827 -3.729 9.886 496 HE2 HIS 65 HE2 HIS 65 -6.358 -1.771 10.404 497 H CYS 66 H CYS 66 0.098 -2.682 13.823 498 HA CYS 66 HA CYS 66 1.041 -1.671 16.366 499 HB2 CYS 66 HB3 CYS 66 2.461 -2.994 14.046 500 HB3 CYS 66 HB2 CYS 66 3.246 -2.540 15.558 501 HG CYS 66 HG CYS 66 0.770 -4.383 15.814 502 H GLY 67 H GLY 67 2.486 -0.009 16.710 503 HA2 GLY 67 HA3 GLY 67 3.848 1.825 16.185 504 HA3 GLY 67 HA2 GLY 67 3.426 1.628 14.486 505 H TRP 68 H TRP 68 0.831 1.831 14.280 506 HA TRP 68 HA TRP 68 0.009 4.290 15.689 507 HB2 TRP 68 HB3 TRP 68 -0.356 3.684 12.739 508 HB3 TRP 68 HB2 TRP 68 -1.032 5.077 13.581 509 HD1 TRP 68 HD1 TRP 68 0.696 6.893 14.531 510 HE1 TRP 68 HE1 TRP 68 3.071 7.535 13.761 511 HE3 TRP 68 HE3 TRP 68 1.832 2.801 11.706 512 HZ2 TRP 68 HZ2 TRP 68 5.174 6.452 12.149 513 HZ3 TRP 68 HZ3 TRP 68 4.024 2.631 10.562 514 HH2 TRP 68 HH2 TRP 68 5.694 4.450 10.780 515 HA PRO 69 HA PRO 69 -3.242 0.974 16.136 516 HB2 PRO 69 HB3 PRO 69 -3.938 1.576 18.707 517 HB3 PRO 69 HB2 PRO 69 -2.585 0.502 18.298 518 HG2 PRO 69 HG3 PRO 69 -2.547 3.386 19.063 519 HG3 PRO 69 HG2 PRO 69 -1.482 2.067 19.584 520 HD2 PRO 69 HD3 PRO 69 -0.736 3.844 17.671 521 HD3 PRO 69 HD2 PRO 69 -0.201 2.149 17.649 522 H SER 70 H SER 70 -5.485 1.198 16.039 523 HA SER 70 HA SER 70 -6.453 3.900 15.539 524 HB2 SER 70 HB3 SER 70 -7.793 1.213 15.206 525 HB3 SER 70 HB2 SER 70 -8.492 2.757 14.730 526 HG SER 70 HG SER 70 -6.436 1.280 13.590 527 H PHE 71 H PHE 71 -8.067 4.917 16.641 528 HA PHE 71 HA PHE 71 -8.978 3.672 19.181 529 HB2 PHE 71 HB3 PHE 71 -8.587 6.644 18.751 530 HB3 PHE 71 HB2 PHE 71 -8.924 5.813 20.259 531 HD1 PHE 71 HD1 PHE 71 -6.362 7.220 18.269 532 HD2 PHE 71 HD2 PHE 71 -7.155 3.939 20.925 533 HE1 PHE 71 HE1 PHE 71 -3.931 6.971 18.687 534 HE2 PHE 71 HE2 PHE 71 -4.723 3.692 21.343 535 HZ PHE 71 HZ PHE 71 -3.111 5.208 20.225 536 H PHE 72 H PHE 72 -11.004 5.021 19.966 537 HA PHE 72 HA PHE 72 -12.798 5.377 17.638 538 HB2 PHE 72 HB3 PHE 72 -13.411 4.229 20.373 539 HB3 PHE 72 HB2 PHE 72 -14.635 4.612 19.164 540 HD1 PHE 72 HD1 PHE 72 -12.261 2.152 20.266 541 HD2 PHE 72 HD2 PHE 72 -14.357 3.601 16.809 542 HE1 PHE 72 HE1 PHE 72 -11.788 0.023 19.081 543 HE2 PHE 72 HE2 PHE 72 -13.891 1.472 15.631 544 HZ PHE 72 HZ PHE 72 -12.601 -0.313 16.766 545 H SER 73 H SER 73 -14.982 6.479 19.042 546 HA SER 73 HA SER 73 -14.524 9.166 18.916 547 HB2 SER 73 HB3 SER 73 -16.748 8.051 19.122 548 HB3 SER 73 HB2 SER 73 -16.447 7.865 20.843 549 HG SER 73 HG SER 73 -17.429 9.772 20.783 550 HA PRO 74 HA PRO 74 -12.037 10.102 22.541 551 HB2 PRO 74 HB3 PRO 74 -12.466 12.789 22.757 552 HB3 PRO 74 HB2 PRO 74 -11.439 12.080 21.493 553 HG2 PRO 74 HG3 PRO 74 -14.284 12.972 21.328 554 HG3 PRO 74 HG2 PRO 74 -12.951 13.255 20.195 555 HD2 PRO 74 HD3 PRO 74 -14.801 11.334 19.760 556 HD3 PRO 74 HD2 PRO 74 -13.102 11.131 19.271 557 H LEU 75 H LEU 75 -12.427 11.705 24.624 558 HA LEU 75 HA LEU 75 -14.266 10.471 26.273 559 HB2 LEU 75 HB3 LEU 75 -12.679 12.967 26.365 560 HB3 LEU 75 HB2 LEU 75 -14.157 13.041 27.327 561 HG LEU 75 HG LEU 75 -13.414 10.719 28.253 562 HD11 LEU 75 HD11 LEU 75 -10.893 11.731 26.933 563 HD12 LEU 75 HD12 LEU 75 -11.633 10.140 26.799 564 HD13 LEU 75 HD13 LEU 75 -10.840 10.618 28.298 565 HD21 LEU 75 HD21 LEU 75 -12.132 13.373 28.900 566 HD22 LEU 75 HD22 LEU 75 -11.785 11.937 29.859 567 HD23 LEU 75 HD23 LEU 75 -13.434 12.550 29.750 568 H ALA 76 H ALA 76 -14.726 13.751 24.895 569 HA ALA 76 HA ALA 76 -17.550 13.132 24.415 570 HB1 ALA 76 HB1 ALA 76 -18.465 14.617 25.908 571 HB2 ALA 76 HB2 ALA 76 -17.030 15.643 25.932 572 HB3 ALA 76 HB3 ALA 76 -17.039 14.122 26.822 573 H GLY 77 H GLY 77 -14.843 14.261 23.126 574 HA2 GLY 77 HA3 GLY 77 -14.422 15.500 21.217 575 HA3 GLY 77 HA2 GLY 77 -16.154 15.787 21.078 576 H ASP 78 H ASP 78 -15.015 16.614 24.155 577 HA ASP 78 HA ASP 78 -15.207 19.468 23.557 578 HB2 ASP 78 HB3 ASP 78 -15.091 17.948 26.167 579 HB3 ASP 78 HB2 ASP 78 -15.281 19.692 26.011 580 H LYS 79 H LYS 79 -12.925 17.032 24.566 581 HA LYS 79 HA LYS 79 -10.891 19.009 25.268 582 HB2 LYS 79 HB3 LYS 79 -10.354 16.052 25.137 583 HB3 LYS 79 HB2 LYS 79 -9.630 17.267 26.185 584 HG2 LYS 79 HG3 LYS 79 -12.510 16.303 26.393 585 HG3 LYS 79 HG2 LYS 79 -11.192 15.734 27.405 586 HD2 LYS 79 HD3 LYS 79 -10.875 17.946 28.346 587 HD3 LYS 79 HD2 LYS 79 -12.069 18.626 27.235 588 HE2 LYS 79 HE3 LYS 79 -13.824 17.243 28.217 589 HE3 LYS 79 HE2 LYS 79 -12.657 16.467 29.282 590 HZ1 LYS 79 HZ1 LYS 79 -12.953 19.401 29.284 591 HZ2 LYS 79 HZ2 LYS 79 -12.399 18.381 30.525 592 HZ3 LYS 79 HZ3 LYS 79 -14.054 18.441 30.148 593 H VAL 80 H VAL 80 -11.936 17.253 22.527 594 HA VAL 80 HA VAL 80 -9.519 18.058 21.047 595 HB VAL 80 HB VAL 80 -9.524 15.912 19.809 596 HG11 VAL 80 HG11 VAL 80 -8.419 14.627 21.472 597 HG12 VAL 80 HG12 VAL 80 -9.388 15.328 22.771 598 HG13 VAL 80 HG13 VAL 80 -8.173 16.309 21.945 599 HG21 VAL 80 HG21 VAL 80 -11.696 15.199 21.802 600 HG22 VAL 80 HG22 VAL 80 -10.806 13.991 20.876 601 HG23 VAL 80 HG23 VAL 80 -11.807 15.180 20.042 602 H ILE 81 H ILE 81 -9.860 18.571 18.867 603 HA ILE 81 HA ILE 81 -12.684 18.590 17.968 604 HB ILE 81 HB ILE 81 -10.668 20.790 18.144 605 HG12 ILE 81 HG13 ILE 81 -12.698 22.168 18.412 606 HG13 ILE 81 HG12 ILE 81 -13.706 20.777 18.037 607 HG21 ILE 81 HG21 ILE 81 -10.818 20.580 15.689 608 HG22 ILE 81 HG22 ILE 81 -11.619 22.054 16.243 609 HG23 ILE 81 HG23 ILE 81 -12.580 20.646 15.788 610 HD11 ILE 81 HD11 ILE 81 -11.752 20.436 20.265 611 HD12 ILE 81 HD12 ILE 81 -13.399 19.830 20.106 612 HD13 ILE 81 HD13 ILE 81 -13.118 21.509 20.569 613 H GLU 82 H GLU 82 -13.074 17.822 15.991 614 HA GLU 82 HA GLU 82 -10.785 17.180 14.235 615 HB2 GLU 82 HB3 GLU 82 -12.282 15.171 13.494 616 HB3 GLU 82 HB2 GLU 82 -11.313 15.026 14.954 617 HG2 GLU 82 HG3 GLU 82 -13.166 15.201 16.362 618 HG3 GLU 82 HG2 GLU 82 -14.141 16.036 15.154 619 H ARG 83 H ARG 83 -10.947 17.916 12.252 620 HA ARG 83 HA ARG 83 -13.567 18.428 11.034 621 HB2 ARG 83 HB3 ARG 83 -12.873 20.709 10.344 622 HB3 ARG 83 HB2 ARG 83 -12.999 20.556 12.094 623 HG2 ARG 83 HG3 ARG 83 -10.556 20.258 12.258 624 HG3 ARG 83 HG2 ARG 83 -10.418 20.373 10.504 625 HD2 ARG 83 HD3 ARG 83 -11.602 22.556 12.231 626 HD3 ARG 83 HD2 ARG 83 -9.913 22.519 11.739 627 HE ARG 83 HE ARG 83 -11.469 22.251 9.423 628 HH11 ARG 83 HH11 ARG 83 -10.874 24.659 11.900 629 HH12 ARG 83 HH12 ARG 83 -11.199 25.993 10.843 630 HH21 ARG 83 HH21 ARG 83 -11.882 24.012 8.085 631 HH22 ARG 83 HH22 ARG 83 -11.766 25.626 8.701 632 H THR 84 H THR 84 -13.484 18.638 8.719 633 HA THR 84 HA THR 84 -11.320 17.092 7.563 634 HB THR 84 HB THR 84 -13.760 16.655 7.116 635 HG1 THR 84 HG1 THR 84 -11.980 16.018 5.750 636 HG21 THR 84 HG21 THR 84 -14.884 18.048 5.431 637 HG22 THR 84 HG22 THR 84 -13.501 19.143 5.405 638 HG23 THR 84 HG23 THR 84 -14.489 19.005 6.859 639 H ASP 85 H ASP 85 -9.992 17.720 5.874 640 HA ASP 85 HA ASP 85 -9.932 20.604 5.215 641 HB2 ASP 85 HB3 ASP 85 -8.193 20.070 6.912 642 HB3 ASP 85 HB2 ASP 85 -7.514 18.878 5.811 643 H THR 86 H THR 86 -10.233 20.805 3.105 644 HA THR 86 HA THR 86 -9.839 18.657 1.249 645 HB THR 86 HB THR 86 -10.438 21.527 0.521 646 HG1 THR 86 HG1 THR 86 -11.822 20.859 2.218 647 HG21 THR 86 HG21 THR 86 -11.237 18.847 -0.648 648 HG22 THR 86 HG22 THR 86 -10.044 19.958 -1.320 649 HG23 THR 86 HG23 THR 86 -11.747 20.416 -1.269 650 H SER 87 H SER 87 -7.550 18.517 1.874 651 HA SER 87 HA SER 87 -5.710 20.482 0.797 652 HB2 SER 87 HB3 SER 87 -5.264 17.709 1.925 653 HB3 SER 87 HB2 SER 87 -3.975 18.804 1.433 654 HG SER 87 HG SER 87 -4.480 18.935 3.682 655 H HIS 88 H HIS 88 -4.840 20.498 -1.188 656 HA HIS 88 HA HIS 88 -4.403 19.969 -3.364 657 HB2 HIS 88 HB3 HIS 88 -4.279 17.248 -2.069 658 HB3 HIS 88 HB2 HIS 88 -4.078 17.424 -3.811 659 HD1 HIS 88 HD1 HIS 88 -2.094 19.094 -4.575 660 HD2 HIS 88 HD2 HIS 88 -1.996 17.865 -0.593 661 HE1 HIS 88 HE1 HIS 88 0.241 19.593 -3.729 662 HE2 HIS 88 HE2 HIS 88 0.317 18.849 -1.302 663 H GLY 89 H GLY 89 -6.368 17.039 -2.771 664 HA2 GLY 89 HA3 GLY 89 -8.543 18.215 -4.386 665 HA3 GLY 89 HA2 GLY 89 -7.855 16.661 -4.847 666 H MET 90 H MET 90 -7.559 15.335 -2.522 667 HA MET 90 HA MET 90 -10.295 14.775 -1.758 668 HB2 MET 90 HB3 MET 90 -9.330 12.846 -0.561 669 HB3 MET 90 HB2 MET 90 -8.790 12.895 -2.236 670 HG2 MET 90 HG3 MET 90 -6.665 13.961 -1.502 671 HG3 MET 90 HG2 MET 90 -7.209 13.858 0.172 672 HE1 MET 90 HE1 MET 90 -6.553 10.400 -2.721 673 HE2 MET 90 HE2 MET 90 -5.363 11.698 -2.734 674 HE3 MET 90 HE3 MET 90 -7.056 12.064 -3.046 675 H VAL 91 H VAL 91 -10.712 14.353 0.624 676 HA VAL 91 HA VAL 91 -9.514 16.554 2.186 677 HB VAL 91 HB VAL 91 -11.614 16.656 3.445 678 HG11 VAL 91 HG11 VAL 91 -13.118 17.212 1.290 679 HG12 VAL 91 HG12 VAL 91 -11.550 17.080 0.493 680 HG13 VAL 91 HG13 VAL 91 -11.784 18.233 1.804 681 HG21 VAL 91 HG21 VAL 91 -12.196 14.209 3.041 682 HG22 VAL 91 HG22 VAL 91 -12.762 14.699 1.445 683 HG23 VAL 91 HG23 VAL 91 -13.536 15.345 2.893 684 H ARG 92 H ARG 92 -9.107 16.242 4.408 685 HA ARG 92 HA ARG 92 -9.151 13.468 5.394 686 HB2 ARG 92 HB3 ARG 92 -6.796 15.374 5.448 687 HB3 ARG 92 HB2 ARG 92 -6.879 13.870 6.363 688 HG2 ARG 92 HG3 ARG 92 -7.133 12.594 4.275 689 HG3 ARG 92 HG2 ARG 92 -7.088 14.095 3.347 690 HD2 ARG 92 HD3 ARG 92 -4.822 14.558 4.213 691 HD3 ARG 92 HD2 ARG 92 -4.863 13.050 5.121 692 HE ARG 92 HE ARG 92 -5.390 12.463 2.420 693 HH11 ARG 92 HH11 ARG 92 -2.741 13.618 4.406 694 HH12 ARG 92 HH12 ARG 92 -1.523 12.968 3.359 695 HH21 ARG 92 HH21 ARG 92 -3.772 11.641 1.087 696 HH22 ARG 92 HH22 ARG 92 -2.104 11.862 1.495 697 H THR 93 H THR 93 -9.545 13.308 7.609 698 HA THR 93 HA THR 93 -10.465 15.778 8.874 699 HB THR 93 HB THR 93 -10.664 12.946 9.912 700 HG1 THR 93 HG1 THR 93 -12.459 14.535 8.401 701 HG21 THR 93 HG21 THR 93 -12.145 15.494 10.617 702 HG22 THR 93 HG22 THR 93 -10.930 14.701 11.620 703 HG23 THR 93 HG23 THR 93 -12.470 13.901 11.301 704 H GLU 94 H GLU 94 -9.063 16.923 9.967 705 HA GLU 94 HA GLU 94 -6.670 15.702 11.098 706 HB2 GLU 94 HB3 GLU 94 -7.595 18.566 10.803 707 HB3 GLU 94 HB2 GLU 94 -6.103 18.108 11.624 708 HG2 GLU 94 HG3 GLU 94 -5.226 17.099 9.615 709 HG3 GLU 94 HG2 GLU 94 -6.762 17.295 8.782 710 H VAL 95 H VAL 95 -6.484 15.162 13.163 711 HA VAL 95 HA VAL 95 -8.596 15.959 15.038 712 HB VAL 95 HB VAL 95 -6.373 13.909 15.344 713 HG11 VAL 95 HG11 VAL 95 -8.649 14.783 17.145 714 HG12 VAL 95 HG12 VAL 95 -6.935 14.614 17.540 715 HG13 VAL 95 HG13 VAL 95 -7.925 13.177 17.288 716 HG21 VAL 95 HG21 VAL 95 -8.025 12.245 14.907 717 HG22 VAL 95 HG22 VAL 95 -8.260 13.461 13.654 718 HG23 VAL 95 HG23 VAL 95 -9.344 13.407 15.044 719 H ILE 96 H ILE 96 -8.279 17.559 16.365 720 HA ILE 96 HA ILE 96 -5.557 18.322 17.176 721 HB ILE 96 HB ILE 96 -6.247 20.677 17.118 722 HG12 ILE 96 HG13 ILE 96 -8.636 19.874 15.442 723 HG13 ILE 96 HG12 ILE 96 -8.788 19.966 17.194 724 HG21 ILE 96 HG21 ILE 96 -5.000 19.963 15.245 725 HG22 ILE 96 HG22 ILE 96 -6.379 20.815 14.556 726 HG23 ILE 96 HG23 ILE 96 -6.350 19.051 14.575 727 HD11 ILE 96 HD11 ILE 96 -7.574 22.242 15.653 728 HD12 ILE 96 HD12 ILE 96 -8.325 22.244 17.250 729 HD13 ILE 96 HD13 ILE 96 -9.324 22.082 15.808 730 H CYS 97 H CYS 97 -5.469 19.526 19.167 731 HA CYS 97 HA CYS 97 -7.316 18.494 21.164 732 HB2 CYS 97 HB3 CYS 97 -4.841 18.795 21.453 733 HB3 CYS 97 HB2 CYS 97 -5.100 20.520 21.494 734 H ALA 98 H ALA 98 -8.956 19.618 22.106 735 HA ALA 98 HA ALA 98 -10.178 21.731 20.758 736 HB1 ALA 98 HB1 ALA 98 -10.561 20.971 23.657 737 HB2 ALA 98 HB2 ALA 98 -11.326 20.155 22.291 738 HB3 ALA 98 HB3 ALA 98 -11.704 21.844 22.636 739 H ASN 99 H ASN 99 -7.599 21.851 23.063 740 HA ASN 99 HA ASN 99 -8.052 24.740 23.520 741 HB2 ASN 99 HB3 ASN 99 -6.341 24.427 25.343 742 HB3 ASN 99 HB2 ASN 99 -7.847 23.552 25.555 743 HD21 ASN 99 HD21 ASN 99 -7.617 21.417 26.110 744 HD22 ASN 99 HD22 ASN 99 -6.271 20.457 25.749 745 H CYS 100 H CYS 100 -5.704 22.403 22.356 746 HA CYS 100 HA CYS 100 -4.138 24.652 21.234 747 HB2 CYS 100 HB3 CYS 100 -2.059 23.370 21.639 748 HB3 CYS 100 HB2 CYS 100 -2.888 23.818 23.124 749 H GLU 101 H GLU 101 -2.723 23.998 19.401 750 HA GLU 101 HA GLU 101 -4.349 22.561 17.501 751 HB2 GLU 101 HB3 GLU 101 -1.797 24.152 17.343 752 HB3 GLU 101 HB2 GLU 101 -2.343 23.192 15.969 753 HG2 GLU 101 HG3 GLU 101 -4.491 24.383 15.962 754 HG3 GLU 101 HG2 GLU 101 -3.997 25.312 17.375 755 H SER 102 H SER 102 -4.084 20.497 18.807 756 HA SER 102 HA SER 102 -1.581 19.068 18.379 757 HB2 SER 102 HB3 SER 102 -4.191 18.125 19.580 758 HB3 SER 102 HB2 SER 102 -2.705 17.189 19.520 759 HG SER 102 HG SER 102 -2.658 18.184 21.462 760 H HIS 103 H HIS 103 -2.266 19.823 16.032 761 HA HIS 103 HA HIS 103 -3.982 18.017 14.585 762 HB2 HIS 103 HB3 HIS 103 -2.773 19.107 12.549 763 HB3 HIS 103 HB2 HIS 103 -3.871 20.086 13.506 764 HD1 HIS 103 HD1 HIS 103 -2.694 22.315 13.015 765 HD2 HIS 103 HD2 HIS 103 -0.140 19.484 14.716 766 HE1 HIS 103 HE1 HIS 103 -0.588 23.553 13.677 767 HE2 HIS 103 HE2 HIS 103 0.973 21.846 14.718 768 H LEU 104 H LEU 104 -1.505 17.014 16.110 769 HA LEU 104 HA LEU 104 0.307 15.986 14.151 770 HB2 LEU 104 HB3 LEU 104 1.189 14.658 16.030 771 HB3 LEU 104 HB2 LEU 104 0.986 16.358 16.436 772 HG LEU 104 HG LEU 104 -1.433 15.459 17.274 773 HD11 LEU 104 HD11 LEU 104 -1.354 13.276 18.217 774 HD12 LEU 104 HD12 LEU 104 0.389 13.146 17.984 775 HD13 LEU 104 HD13 LEU 104 -0.690 13.078 16.598 776 HD21 LEU 104 HD21 LEU 104 -0.578 15.540 19.514 777 HD22 LEU 104 HD22 LEU 104 0.387 16.677 18.571 778 HD23 LEU 104 HD23 LEU 104 1.043 15.092 18.982 779 H GLY 105 H GLY 105 -2.811 14.986 15.291 780 HA2 GLY 105 HA3 GLY 105 -2.448 12.316 14.067 781 HA3 GLY 105 HA2 GLY 105 -3.542 12.678 15.390 782 H HIS 106 H HIS 106 -4.167 11.402 12.913 783 HA HIS 106 HA HIS 106 -6.226 13.248 11.858 784 HB2 HIS 106 HB3 HIS 106 -4.495 11.291 10.330 785 HB3 HIS 106 HB2 HIS 106 -6.006 11.925 9.686 786 HD1 HIS 106 HD1 HIS 106 -2.664 13.184 11.001 787 HD2 HIS 106 HD2 HIS 106 -5.752 14.418 8.468 788 HE1 HIS 106 HE1 HIS 106 -1.879 15.326 9.902 789 HE2 HIS 106 HE2 HIS 106 -3.746 16.090 8.362 790 H VAL 107 H VAL 107 -8.182 12.104 11.084 791 HA VAL 107 HA VAL 107 -8.480 9.388 12.200 792 HB VAL 107 HB VAL 107 -9.367 11.025 13.815 793 HG11 VAL 107 HG11 VAL 107 -10.018 12.703 11.993 794 HG12 VAL 107 HG12 VAL 107 -11.147 12.509 13.334 795 HG13 VAL 107 HG13 VAL 107 -11.477 11.736 11.782 796 HG21 VAL 107 HG21 VAL 107 -11.377 9.271 12.383 797 HG22 VAL 107 HG22 VAL 107 -11.723 10.071 13.916 798 HG23 VAL 107 HG23 VAL 107 -10.433 8.873 13.819 799 H PHE 108 H PHE 108 -9.825 8.014 11.116 800 HA PHE 108 HA PHE 108 -11.149 9.027 8.673 801 HB2 PHE 108 HB3 PHE 108 -9.465 6.519 8.900 802 HB3 PHE 108 HB2 PHE 108 -10.447 6.953 7.501 803 HD1 PHE 108 HD1 PHE 108 -7.397 7.689 9.400 804 HD2 PHE 108 HD2 PHE 108 -9.873 8.907 6.108 805 HE1 PHE 108 HE1 PHE 108 -5.556 9.113 8.542 806 HE2 PHE 108 HE2 PHE 108 -8.033 10.331 5.250 807 HZ PHE 108 HZ PHE 108 -5.874 10.434 6.467 808 H ALA 109 H ALA 109 -13.058 8.008 8.104 809 HA ALA 109 HA ALA 109 -14.301 6.425 10.246 810 HB1 ALA 109 HB1 ALA 109 -15.544 8.386 9.608 811 HB2 ALA 109 HB2 ALA 109 -16.422 6.972 9.022 812 HB3 ALA 109 HB3 ALA 109 -15.465 7.941 7.903 813 H GLY 110 H GLY 110 -15.984 4.797 9.415 814 HA2 GLY 110 HA3 GLY 110 -16.537 2.908 8.206 815 HA3 GLY 110 HA2 GLY 110 -15.497 3.486 6.912 816 H GLU 111 H GLU 111 -14.570 2.837 10.278 817 HA GLU 111 HA GLU 111 -12.287 1.298 9.489 818 HB2 GLU 111 HB3 GLU 111 -12.395 2.655 11.581 819 HB3 GLU 111 HB2 GLU 111 -13.566 1.508 12.229 820 HG2 GLU 111 HG3 GLU 111 -11.911 -0.313 12.002 821 HG3 GLU 111 HG2 GLU 111 -10.738 0.832 11.356 822 H GLY 112 H GLY 112 -15.584 0.513 10.412 823 HA2 GLY 112 HA3 GLY 112 -16.770 -1.455 10.196 824 HA3 GLY 112 HA2 GLY 112 -15.361 -2.158 9.414 825 H TYR 113 H TYR 113 -15.079 -0.740 12.603 826 HA TYR 113 HA TYR 113 -14.408 -3.373 13.688 827 HB2 TYR 113 HB3 TYR 113 -13.055 -1.150 14.029 828 HB3 TYR 113 HB2 TYR 113 -14.258 -0.822 15.274 829 HD1 TYR 113 HD1 TYR 113 -11.633 -3.208 14.174 830 HD2 TYR 113 HD2 TYR 113 -14.252 -2.021 17.367 831 HE1 TYR 113 HE1 TYR 113 -10.420 -4.710 15.730 832 HE2 TYR 113 HE2 TYR 113 -13.039 -3.524 18.921 833 HH TYR 113 HH TYR 113 -11.599 -5.703 18.620 834 H ASP 114 H ASP 114 -17.248 -2.165 13.175 835 HA ASP 114 HA ASP 114 -19.314 -2.354 14.108 836 HB2 ASP 114 HB3 ASP 114 -18.317 -4.678 14.589 837 HB3 ASP 114 HB2 ASP 114 -18.095 -4.103 16.240 838 H THR 115 H THR 115 -18.099 -0.055 14.738 839 HA THR 115 HA THR 115 -18.753 0.397 17.573 840 HB THR 115 HB THR 115 -17.243 2.573 16.974 841 HG1 THR 115 HG1 THR 115 -16.115 0.436 15.503 842 HG21 THR 115 HG21 THR 115 -15.825 1.765 18.538 843 HG22 THR 115 HG22 THR 115 -15.539 0.265 17.653 844 HG23 THR 115 HG23 THR 115 -16.968 0.430 18.673 845 HA PRO 116 HA PRO 116 -21.913 3.209 16.337 846 HB2 PRO 116 HB3 PRO 116 -21.616 5.292 18.115 847 HB3 PRO 116 HB2 PRO 116 -22.350 3.731 18.526 848 HG2 PRO 116 HG3 PRO 116 -19.580 4.710 19.037 849 HG3 PRO 116 HG2 PRO 116 -20.661 3.772 20.085 850 HD2 PRO 116 HD3 PRO 116 -18.631 2.627 18.708 851 HD3 PRO 116 HD2 PRO 116 -20.147 1.761 19.022 852 H THR 117 H THR 117 -18.642 4.448 16.511 853 HA THR 117 HA THR 117 -19.346 6.687 14.705 854 HB THR 117 HB THR 117 -17.209 7.686 15.357 855 HG1 THR 117 HG1 THR 117 -15.785 6.266 15.934 856 HG21 THR 117 HG21 THR 117 -17.896 8.445 17.423 857 HG22 THR 117 HG22 THR 117 -18.316 6.832 17.993 858 HG23 THR 117 HG23 THR 117 -19.402 7.690 16.897 859 H ASP 118 H ASP 118 -17.535 3.730 14.953 860 HA ASP 118 HA ASP 118 -16.203 2.573 13.478 861 HB2 ASP 118 HB3 ASP 118 -17.802 4.173 11.462 862 HB3 ASP 118 HB2 ASP 118 -16.858 2.727 11.106 863 H LEU 119 H LEU 119 -15.082 4.930 14.589 864 HA LEU 119 HA LEU 119 -13.539 6.152 12.406 865 HB2 LEU 119 HB3 LEU 119 -13.813 6.860 15.335 866 HB3 LEU 119 HB2 LEU 119 -12.718 7.682 14.226 867 HG LEU 119 HG LEU 119 -15.694 7.435 13.708 868 HD11 LEU 119 HD11 LEU 119 -14.222 9.828 14.845 869 HD12 LEU 119 HD12 LEU 119 -15.130 8.689 15.840 870 HD13 LEU 119 HD13 LEU 119 -15.962 9.650 14.618 871 HD21 LEU 119 HD21 LEU 119 -15.174 9.431 12.236 872 HD22 LEU 119 HD22 LEU 119 -14.406 7.933 11.711 873 HD23 LEU 119 HD23 LEU 119 -13.463 9.154 12.566 874 H ARG 120 H ARG 120 -11.327 6.070 12.302 875 HA ARG 120 HA ARG 120 -9.961 4.182 14.112 876 HB2 ARG 120 HB3 ARG 120 -8.572 3.474 12.132 877 HB3 ARG 120 HB2 ARG 120 -10.260 2.983 12.045 878 HG2 ARG 120 HG3 ARG 120 -10.783 4.665 10.445 879 HG3 ARG 120 HG2 ARG 120 -9.282 5.535 10.746 880 HD2 ARG 120 HD3 ARG 120 -9.079 4.311 8.653 881 HD3 ARG 120 HD2 ARG 120 -8.016 3.579 9.851 882 HE ARG 120 HE ARG 120 -10.551 2.287 9.876 883 HH11 ARG 120 HH11 ARG 120 -7.638 2.542 7.940 884 HH12 ARG 120 HH12 ARG 120 -7.821 0.964 7.250 885 HH21 ARG 120 HH21 ARG 120 -10.744 0.240 8.958 886 HH22 ARG 120 HH22 ARG 120 -9.565 -0.327 7.822 887 H TYR 121 H TYR 121 -9.618 6.426 15.119 888 HA TYR 121 HA TYR 121 -8.055 8.449 14.078 889 HB2 TYR 121 HB3 TYR 121 -8.024 7.279 16.869 890 HB3 TYR 121 HB2 TYR 121 -7.277 8.808 16.431 891 HD1 TYR 121 HD1 TYR 121 -10.495 7.009 16.778 892 HD2 TYR 121 HD2 TYR 121 -8.601 10.783 16.032 893 HE1 TYR 121 HE1 TYR 121 -12.668 8.159 17.112 894 HE2 TYR 121 HE2 TYR 121 -10.771 11.937 16.353 895 HH TYR 121 HH TYR 121 -13.343 11.122 16.086 896 H CYS 122 H CYS 122 -6.105 8.382 13.143 897 HA CYS 122 HA CYS 122 -4.214 6.243 13.883 898 HB2 CYS 122 HB3 CYS 122 -4.233 8.119 11.495 899 HB3 CYS 122 HB2 CYS 122 -3.042 6.851 11.788 900 HG CYS 122 HG CYS 122 -5.751 5.589 11.843 901 H ILE 123 H ILE 123 -3.547 7.158 15.814 902 HA ILE 123 HA ILE 123 -1.812 9.528 15.510 903 HB ILE 123 HB ILE 123 -3.588 9.128 17.931 904 HG12 ILE 123 HG13 ILE 123 -4.083 10.826 15.448 905 HG13 ILE 123 HG12 ILE 123 -5.044 9.462 15.970 906 HG21 ILE 123 HG21 ILE 123 -2.954 11.473 18.343 907 HG22 ILE 123 HG22 ILE 123 -2.045 11.502 16.834 908 HG23 ILE 123 HG23 ILE 123 -1.509 10.477 18.164 909 HD11 ILE 123 HD11 ILE 123 -4.900 12.221 17.150 910 HD12 ILE 123 HD12 ILE 123 -5.334 10.855 18.185 911 HD13 ILE 123 HD13 ILE 123 -6.320 11.237 16.772 912 H ASN 124 H ASN 124 -0.008 9.554 16.801 913 HA ASN 124 HA ASN 124 0.587 7.024 18.220 914 HB2 ASN 124 HB3 ASN 124 1.956 8.030 16.115 915 HB3 ASN 124 HB2 ASN 124 2.804 8.835 17.432 916 HD21 ASN 124 HD21 ASN 124 3.800 6.625 15.664 917 HD22 ASN 124 HD22 ASN 124 4.225 5.362 16.714 918 H SER 125 H SER 125 2.062 7.245 20.085 919 HA SER 125 HA SER 125 1.262 9.553 21.692 920 HB2 SER 125 HB3 SER 125 0.937 7.345 22.680 921 HB3 SER 125 HB2 SER 125 2.643 6.968 22.455 922 HG SER 125 HG SER 125 1.631 8.018 24.550 923 H VAL 126 H VAL 126 2.578 11.172 20.854 924 HA VAL 126 HA VAL 126 5.455 10.872 20.785 925 HB VAL 126 HB VAL 126 4.194 12.317 19.160 926 HG11 VAL 126 HG11 VAL 126 2.765 13.328 21.152 927 HG12 VAL 126 HG12 VAL 126 3.162 14.315 19.748 928 HG13 VAL 126 HG13 VAL 126 4.091 14.494 21.239 929 HG21 VAL 126 HG21 VAL 126 6.207 13.899 20.770 930 HG22 VAL 126 HG22 VAL 126 5.931 13.945 19.030 931 HG23 VAL 126 HG23 VAL 126 6.667 12.523 19.766 932 H CYS 127 H CYS 127 4.790 10.134 23.240 933 HA CYS 127 HA CYS 127 5.369 10.443 25.435 934 HB2 CYS 127 HB3 CYS 127 7.318 11.787 24.467 935 HB3 CYS 127 HB2 CYS 127 6.345 13.228 24.760 936 HG CYS 127 HG CYS 127 6.850 13.066 27.179 937 H LEU 128 H LEU 128 2.902 10.515 25.069 938 HA LEU 128 HA LEU 128 1.628 13.016 25.882 939 HB2 LEU 128 HB3 LEU 128 0.479 11.778 24.184 940 HB3 LEU 128 HB2 LEU 128 0.607 10.274 25.081 941 HG LEU 128 HG LEU 128 -0.862 12.531 26.430 942 HD11 LEU 128 HD11 LEU 128 -2.976 11.771 25.221 943 HD12 LEU 128 HD12 LEU 128 -1.910 11.025 24.029 944 HD13 LEU 128 HD13 LEU 128 -1.862 12.769 24.286 945 HD21 LEU 128 HD21 LEU 128 -2.342 10.559 27.051 946 HD22 LEU 128 HD22 LEU 128 -0.676 10.427 27.610 947 HD23 LEU 128 HD23 LEU 128 -1.202 9.523 26.194 948 H THR 129 H THR 129 0.390 13.170 27.836 949 HA THR 129 HA THR 129 1.658 11.747 30.039 950 HB THR 129 HB THR 129 -0.380 13.989 30.074 951 HG1 THR 129 HG1 THR 129 1.436 15.275 30.375 952 HG21 THR 129 HG21 THR 129 -0.215 12.644 32.187 953 HG22 THR 129 HG22 THR 129 0.314 14.314 32.385 954 HG23 THR 129 HG23 THR 129 1.507 13.022 32.244 955 H LEU 130 H LEU 130 0.775 10.269 31.324 956 HA LEU 130 HA LEU 130 -1.901 9.270 30.655 957 HB2 LEU 130 HB3 LEU 130 -0.279 7.506 30.599 958 HB3 LEU 130 HB2 LEU 130 0.446 8.022 32.117 959 HG LEU 130 HG LEU 130 -1.697 7.408 33.295 960 HD11 LEU 130 HD11 LEU 130 -3.024 7.559 31.051 961 HD12 LEU 130 HD12 LEU 130 -3.486 6.372 32.268 962 HD13 LEU 130 HD13 LEU 130 -2.544 5.873 30.860 963 HD21 LEU 130 HD21 LEU 130 -0.463 5.148 31.722 964 HD22 LEU 130 HD22 LEU 130 -1.404 5.004 33.211 965 HD23 LEU 130 HD23 LEU 130 0.165 5.821 33.229 966 H ILE 131 H ILE 131 -3.497 9.085 32.077 967 HA ILE 131 HA ILE 131 -3.149 10.320 34.737 968 HB ILE 131 HB ILE 131 -5.694 9.969 33.135 969 HG12 ILE 131 HG13 ILE 131 -4.277 11.687 32.089 970 HG13 ILE 131 HG12 ILE 131 -5.670 12.434 32.856 971 HG21 ILE 131 HG21 ILE 131 -6.365 9.953 35.368 972 HG22 ILE 131 HG22 ILE 131 -6.482 11.667 34.968 973 HG23 ILE 131 HG23 ILE 131 -5.089 11.064 35.872 974 HD11 ILE 131 HD11 ILE 131 -3.591 13.713 33.299 975 HD12 ILE 131 HD12 ILE 131 -2.881 12.286 34.053 976 HD13 ILE 131 HD13 ILE 131 -4.276 13.068 34.793 977 HA PRO 132 HA PRO 132 -3.569 5.851 35.583 978 HB2 PRO 132 HB3 PRO 132 -3.189 6.110 38.338 979 HB3 PRO 132 HB2 PRO 132 -1.908 5.840 37.144 980 HG2 PRO 132 HG3 PRO 132 -2.667 8.305 38.550 981 HG3 PRO 132 HG2 PRO 132 -1.123 7.823 37.839 982 HD2 PRO 132 HD3 PRO 132 -2.884 9.659 36.781 983 HD3 PRO 132 HD2 PRO 132 -1.577 8.847 35.888 984 H ALA 133 H ALA 133 -5.716 5.690 35.115 985 HA ALA 133 HA ALA 133 -7.789 6.942 36.509 986 HB1 ALA 133 HB1 ALA 133 -9.235 5.107 35.505 987 HB2 ALA 133 HB2 ALA 133 -7.748 4.403 34.867 988 HB3 ALA 133 HB3 ALA 133 -8.251 6.015 34.354 989 H GLU 134 H GLU 134 -7.066 3.424 36.707 990 HA GLU 134 HA GLU 134 -6.991 3.295 39.531 991 HB2 GLU 134 HB3 GLU 134 -9.428 3.894 39.170 992 HB3 GLU 134 HB2 GLU 134 -9.606 2.342 38.358 993 HG2 GLU 134 HG3 GLU 134 -8.842 1.178 40.392 994 HG3 GLU 134 HG2 GLU 134 -8.628 2.726 41.204 995 H GLU 135 H GLU 135 -8.465 1.359 36.906 996 HA GLU 135 HA GLU 135 -8.115 -0.791 36.208 997 HB2 GLU 135 HB3 GLU 135 -5.292 -0.083 37.046 998 HB3 GLU 135 HB2 GLU 135 -5.720 -1.523 36.126 999 HG2 GLU 135 HG3 GLU 135 -6.262 1.334 35.258 1000 HG3 GLU 135 HG2 GLU 135 -4.963 0.315 34.648 1001 H SER 136 H SER 136 -9.315 -0.719 38.575 1002 HA SER 136 HA SER 136 -8.062 -2.105 40.707 1003 HB2 SER 136 HB3 SER 136 -10.036 -0.875 41.210 1004 HB3 SER 136 HB2 SER 136 -10.953 -1.688 39.945 1005 HG SER 136 HG SER 136 -11.361 -3.226 41.309 Start of MODEL 3 1 H MET 1 H1 MET 1 -10.610 28.700 33.391 2 HA MET 1 HA MET 1 -10.124 27.589 31.429 3 HB2 MET 1 HB3 MET 1 -12.536 28.154 30.582 4 HB3 MET 1 HB2 MET 1 -11.768 29.551 29.831 5 HG2 MET 1 HG3 MET 1 -11.800 27.763 28.202 6 HG3 MET 1 HG2 MET 1 -10.133 27.969 28.741 7 HE1 MET 1 HE1 MET 1 -9.460 25.867 27.818 8 HE2 MET 1 HE2 MET 1 -11.018 25.243 27.283 9 HE3 MET 1 HE3 MET 1 -9.976 24.243 28.292 10 H THR 2 H THR 2 -8.445 28.170 29.965 11 HA THR 2 HA THR 2 -7.567 30.993 30.090 12 HB THR 2 HB THR 2 -5.239 30.214 30.321 13 HG1 THR 2 HG1 THR 2 -5.033 27.953 30.946 14 HG21 THR 2 HG21 THR 2 -6.453 30.789 32.355 15 HG22 THR 2 HG22 THR 2 -5.414 29.401 32.670 16 HG23 THR 2 HG23 THR 2 -7.146 29.169 32.432 17 H ASN 3 H ASN 3 -6.126 31.634 28.378 18 HA ASN 3 HA ASN 3 -6.690 30.208 25.862 19 HB2 ASN 3 HB3 ASN 3 -7.360 32.592 26.019 20 HB3 ASN 3 HB2 ASN 3 -5.680 33.029 26.313 21 HD21 ASN 3 HD21 ASN 3 -6.440 34.320 24.181 22 HD22 ASN 3 HD22 ASN 3 -6.039 33.558 22.718 23 H PHE 4 H PHE 4 -5.130 28.847 25.235 24 HA PHE 4 HA PHE 4 -2.392 29.122 26.134 25 HB2 PHE 4 HB3 PHE 4 -3.726 27.194 24.225 26 HB3 PHE 4 HB2 PHE 4 -2.033 27.097 24.706 27 HD1 PHE 4 HD1 PHE 4 -5.525 26.756 25.832 28 HD2 PHE 4 HD2 PHE 4 -1.395 26.462 26.977 29 HE1 PHE 4 HE1 PHE 4 -6.183 25.554 27.899 30 HE2 PHE 4 HE2 PHE 4 -2.053 25.262 29.044 31 HZ PHE 4 HZ PHE 4 -4.447 24.808 29.506 32 H LYS 5 H LYS 5 -4.177 30.376 23.527 33 HA LYS 5 HA LYS 5 -2.288 30.362 21.428 34 HB2 LYS 5 HB3 LYS 5 -4.470 32.397 21.993 35 HB3 LYS 5 HB2 LYS 5 -3.667 32.133 20.446 36 HG2 LYS 5 HG3 LYS 5 -5.238 29.984 21.898 37 HG3 LYS 5 HG2 LYS 5 -5.922 31.008 20.640 38 HD2 LYS 5 HD3 LYS 5 -4.418 30.116 18.983 39 HD3 LYS 5 HD2 LYS 5 -3.471 29.275 20.209 40 HE2 LYS 5 HE3 LYS 5 -5.408 27.899 20.789 41 HE3 LYS 5 HE2 LYS 5 -6.372 28.726 19.562 42 HZ1 LYS 5 HZ1 LYS 5 -4.407 28.004 18.029 43 HZ2 LYS 5 HZ2 LYS 5 -5.650 26.907 18.401 44 HZ3 LYS 5 HZ3 LYS 5 -4.165 26.821 19.220 45 H LEU 6 H LEU 6 -2.883 32.563 24.102 46 HA LEU 6 HA LEU 6 -1.200 34.677 23.223 47 HB2 LEU 6 HB3 LEU 6 -2.121 33.997 26.028 48 HB3 LEU 6 HB2 LEU 6 -1.445 35.537 25.510 49 HG LEU 6 HG LEU 6 -4.014 34.303 24.453 50 HD11 LEU 6 HD11 LEU 6 -4.021 35.159 26.842 51 HD12 LEU 6 HD12 LEU 6 -5.179 35.935 25.761 52 HD13 LEU 6 HD13 LEU 6 -3.679 36.761 26.185 53 HD21 LEU 6 HD21 LEU 6 -2.538 36.865 23.809 54 HD22 LEU 6 HD22 LEU 6 -4.282 36.737 23.565 55 HD23 LEU 6 HD23 LEU 6 -3.188 35.658 22.697 56 H ILE 7 H ILE 7 -0.505 31.632 24.670 57 HA ILE 7 HA ILE 7 1.795 32.165 26.164 58 HB ILE 7 HB ILE 7 1.143 29.721 24.487 59 HG12 ILE 7 HG13 ILE 7 0.769 30.188 27.463 60 HG13 ILE 7 HG12 ILE 7 -0.517 30.420 26.281 61 HG21 ILE 7 HG21 ILE 7 2.721 28.547 26.000 62 HG22 ILE 7 HG22 ILE 7 3.102 30.076 26.790 63 HG23 ILE 7 HG23 ILE 7 3.542 29.823 25.103 64 HD11 ILE 7 HD11 ILE 7 1.023 27.833 26.582 65 HD12 ILE 7 HD12 ILE 7 -0.437 28.099 25.631 66 HD13 ILE 7 HD13 ILE 7 -0.512 28.147 27.393 67 H THR 8 H THR 8 3.950 32.267 25.686 68 HA THR 8 HA THR 8 4.622 33.160 22.992 69 HB THR 8 HB THR 8 6.538 32.985 25.306 70 HG1 THR 8 HG1 THR 8 4.569 34.948 24.769 71 HG21 THR 8 HG21 THR 8 7.620 33.615 23.297 72 HG22 THR 8 HG22 THR 8 7.330 35.137 24.142 73 HG23 THR 8 HG23 THR 8 6.282 34.655 22.807 74 H ASP 9 H ASP 9 6.712 32.411 22.066 75 HA ASP 9 HA ASP 9 6.667 29.633 21.640 76 HB2 ASP 9 HB3 ASP 9 8.761 31.726 21.042 77 HB3 ASP 9 HB2 ASP 9 8.924 30.046 20.545 78 H THR 10 H THR 10 8.702 31.651 23.727 79 HA THR 10 HA THR 10 10.515 29.639 24.533 80 HB THR 10 HB THR 10 9.596 32.093 26.067 81 HG1 THR 10 HG1 THR 10 10.526 32.378 23.925 82 HG21 THR 10 HG21 THR 10 10.856 30.268 27.363 83 HG22 THR 10 HG22 THR 10 11.599 31.868 27.364 84 HG23 THR 10 HG23 THR 10 12.226 30.606 26.304 85 H GLU 11 H GLU 11 7.443 30.762 25.940 86 HA GLU 11 HA GLU 11 7.455 29.122 28.220 87 HB2 GLU 11 HB3 GLU 11 5.185 30.307 26.631 88 HB3 GLU 11 HB2 GLU 11 4.947 29.432 28.140 89 HG2 GLU 11 HG3 GLU 11 6.440 31.012 29.297 90 HG3 GLU 11 HG2 GLU 11 6.697 31.883 27.787 91 H TRP 12 H TRP 12 6.320 28.518 24.920 92 HA TRP 12 HA TRP 12 5.104 26.009 25.434 93 HB2 TRP 12 HB3 TRP 12 6.185 27.367 22.986 94 HB3 TRP 12 HB2 TRP 12 5.718 25.673 22.904 95 HD1 TRP 12 HD1 TRP 12 4.317 29.044 22.554 96 HE1 TRP 12 HE1 TRP 12 1.739 28.959 22.553 97 HE3 TRP 12 HE3 TRP 12 3.600 24.311 24.309 98 HZ2 TRP 12 HZ2 TRP 12 -0.354 27.113 23.211 99 HZ3 TRP 12 HZ3 TRP 12 1.317 23.416 24.614 100 HH2 TRP 12 HH2 TRP 12 -0.662 24.801 24.064 101 H ARG 13 H ARG 13 8.426 26.941 24.589 102 HA ARG 13 HA ARG 13 9.448 24.329 24.199 103 HB2 ARG 13 HB3 ARG 13 10.784 26.917 24.995 104 HB3 ARG 13 HB2 ARG 13 11.672 25.431 24.662 105 HG2 ARG 13 HG3 ARG 13 10.712 25.344 22.400 106 HG3 ARG 13 HG2 ARG 13 9.784 26.808 22.728 107 HD2 ARG 13 HD3 ARG 13 11.804 27.390 21.485 108 HD3 ARG 13 HD2 ARG 13 11.911 28.037 23.120 109 HE ARG 13 HE ARG 13 13.669 26.570 23.547 110 HH11 ARG 13 HH11 ARG 13 12.100 25.664 20.545 111 HH12 ARG 13 HH12 ARG 13 13.326 24.518 20.117 112 HH21 ARG 13 HH21 ARG 13 15.237 25.072 22.951 113 HH22 ARG 13 HH22 ARG 13 15.088 24.188 21.470 114 H GLN 14 H GLN 14 9.218 26.394 27.056 115 HA GLN 14 HA GLN 14 10.448 24.350 28.748 116 HB2 GLN 14 HB3 GLN 14 10.025 26.061 30.594 117 HB3 GLN 14 HB2 GLN 14 11.159 26.533 29.335 118 HG2 GLN 14 HG3 GLN 14 9.862 28.239 28.630 119 HG3 GLN 14 HG2 GLN 14 8.388 27.297 28.714 120 HE21 GLN 14 HE21 GLN 14 8.520 30.020 29.564 121 HE22 GLN 14 HE22 GLN 14 8.254 30.062 31.236 122 H ARG 15 H ARG 15 7.523 24.473 27.446 123 HA ARG 15 HA ARG 15 5.991 23.804 29.876 124 HB2 ARG 15 HB3 ARG 15 5.330 24.821 27.155 125 HB3 ARG 15 HB2 ARG 15 4.145 23.754 27.902 126 HG2 ARG 15 HG3 ARG 15 3.848 25.219 29.756 127 HG3 ARG 15 HG2 ARG 15 5.281 26.162 29.345 128 HD2 ARG 15 HD3 ARG 15 4.221 26.967 27.318 129 HD3 ARG 15 HD2 ARG 15 2.824 25.930 27.586 130 HE ARG 15 HE ARG 15 3.433 28.440 28.949 131 HH11 ARG 15 HH11 ARG 15 1.509 25.509 28.953 132 HH12 ARG 15 HH12 ARG 15 0.281 26.180 29.973 133 HH21 ARG 15 HH21 ARG 15 1.814 29.269 30.274 134 HH22 ARG 15 HH22 ARG 15 0.454 28.291 30.714 135 H LEU 16 H LEU 16 6.907 22.575 26.696 136 HA LEU 16 HA LEU 16 6.256 19.850 27.591 137 HB2 LEU 16 HB3 LEU 16 5.419 19.516 25.122 138 HB3 LEU 16 HB2 LEU 16 4.337 20.166 26.342 139 HG LEU 16 HG LEU 16 4.968 22.493 25.545 140 HD11 LEU 16 HD11 LEU 16 6.240 20.926 23.285 141 HD12 LEU 16 HD12 LEU 16 7.099 21.919 24.463 142 HD13 LEU 16 HD13 LEU 16 5.996 22.672 23.314 143 HD21 LEU 16 HD21 LEU 16 3.836 20.760 23.354 144 HD22 LEU 16 HD22 LEU 16 3.465 22.445 23.692 145 HD23 LEU 16 HD23 LEU 16 2.932 21.185 24.801 146 H SER 17 H SER 17 6.942 18.234 25.802 147 HA SER 17 HA SER 17 9.737 18.218 25.634 148 HB2 SER 17 HB3 SER 17 7.623 16.695 24.106 149 HB3 SER 17 HB2 SER 17 9.345 16.366 23.929 150 HG SER 17 HG SER 17 9.278 15.357 25.773 151 H SER 18 H SER 18 11.139 18.364 23.821 152 HA SER 18 HA SER 18 10.755 20.625 22.197 153 HB2 SER 18 HB3 SER 18 12.662 18.299 21.893 154 HB3 SER 18 HB2 SER 18 12.739 19.770 20.927 155 HG SER 18 HG SER 18 14.098 19.810 22.802 156 H GLU 19 H GLU 19 10.304 17.180 21.588 157 HA GLU 19 HA GLU 19 9.632 17.419 18.842 158 HB2 GLU 19 HB3 GLU 19 8.518 15.155 19.233 159 HB3 GLU 19 HB2 GLU 19 10.244 15.242 19.565 160 HG2 GLU 19 HG3 GLU 19 8.434 15.807 21.868 161 HG3 GLU 19 HG2 GLU 19 8.445 14.155 21.282 162 H GLU 20 H GLU 20 7.696 17.421 21.807 163 HA GLU 20 HA GLU 20 5.143 17.457 20.658 164 HB2 GLU 20 HB3 GLU 20 5.763 17.082 23.092 165 HB3 GLU 20 HB2 GLU 20 5.957 18.829 23.223 166 HG2 GLU 20 HG3 GLU 20 3.720 18.392 23.913 167 HG3 GLU 20 HG2 GLU 20 3.599 19.017 22.273 168 H TYR 21 H TYR 21 7.447 20.033 21.386 169 HA TYR 21 HA TYR 21 5.816 22.282 21.062 170 HB2 TYR 21 HB3 TYR 21 8.090 22.344 21.989 171 HB3 TYR 21 HB2 TYR 21 8.761 21.883 20.433 172 HD1 TYR 21 HD1 TYR 21 7.479 24.633 22.466 173 HD2 TYR 21 HD2 TYR 21 8.612 23.452 18.492 174 HE1 TYR 21 HE1 TYR 21 7.617 27.015 21.786 175 HE2 TYR 21 HE2 TYR 21 8.747 25.833 17.821 176 HH TYR 21 HH TYR 21 9.100 28.036 18.934 177 H ARG 22 H ARG 22 7.895 20.671 18.589 178 HA ARG 22 HA ARG 22 6.941 22.364 16.472 179 HB2 ARG 22 HB3 ARG 22 8.289 21.009 14.994 180 HB3 ARG 22 HB2 ARG 22 9.203 21.317 16.465 181 HG2 ARG 22 HG3 ARG 22 8.508 19.070 17.321 182 HG3 ARG 22 HG2 ARG 22 7.701 18.765 15.777 183 HD2 ARG 22 HD3 ARG 22 9.854 19.078 14.603 184 HD3 ARG 22 HD2 ARG 22 10.655 19.350 16.148 185 HE ARG 22 HE ARG 22 9.289 16.877 16.247 186 HH11 ARG 22 HH11 ARG 22 12.069 18.342 14.691 187 HH12 ARG 22 HH12 ARG 22 12.919 16.841 14.540 188 HH21 ARG 22 HH21 ARG 22 10.430 14.950 16.027 189 HH22 ARG 22 HH22 ARG 22 11.997 14.938 15.291 190 H VAL 23 H VAL 23 6.189 19.134 17.598 191 HA VAL 23 HA VAL 23 4.584 18.280 15.463 192 HB VAL 23 HB VAL 23 4.730 17.522 18.386 193 HG11 VAL 23 HG11 VAL 23 2.517 16.856 17.728 194 HG12 VAL 23 HG12 VAL 23 3.532 15.415 17.662 195 HG13 VAL 23 HG13 VAL 23 3.097 16.259 16.175 196 HG21 VAL 23 HG21 VAL 23 5.567 15.959 15.935 197 HG22 VAL 23 HG22 VAL 23 6.060 15.707 17.609 198 HG23 VAL 23 HG23 VAL 23 6.644 17.111 16.718 199 H LEU 24 H LEU 24 3.637 19.922 18.510 200 HA LEU 24 HA LEU 24 0.859 20.019 17.820 201 HB2 LEU 24 HB3 LEU 24 2.463 21.599 19.844 202 HB3 LEU 24 HB2 LEU 24 0.716 21.731 19.667 203 HG LEU 24 HG LEU 24 2.196 19.153 20.308 204 HD11 LEU 24 HD11 LEU 24 2.202 21.030 22.070 205 HD12 LEU 24 HD12 LEU 24 1.566 19.468 22.578 206 HD13 LEU 24 HD13 LEU 24 0.460 20.783 22.179 207 HD21 LEU 24 HD21 LEU 24 0.113 18.597 19.274 208 HD22 LEU 24 HD22 LEU 24 -0.735 19.896 20.109 209 HD23 LEU 24 HD23 LEU 24 -0.192 18.478 21.007 210 H ARG 25 H ARG 25 3.588 22.215 17.436 211 HA ARG 25 HA ARG 25 2.147 24.518 16.754 212 HB2 ARG 25 HB3 ARG 25 4.498 24.544 17.449 213 HB3 ARG 25 HB2 ARG 25 4.955 23.729 15.959 214 HG2 ARG 25 HG3 ARG 25 5.396 26.079 15.649 215 HG3 ARG 25 HG2 ARG 25 3.972 25.693 14.689 216 HD2 ARG 25 HD3 ARG 25 3.628 27.788 15.924 217 HD3 ARG 25 HD2 ARG 25 2.521 26.550 16.505 218 HE ARG 25 HE ARG 25 3.645 26.554 18.550 219 HH11 ARG 25 HH11 ARG 25 5.495 28.365 16.188 220 HH12 ARG 25 HH12 ARG 25 6.592 29.003 17.367 221 HH21 ARG 25 HH21 ARG 25 5.086 27.413 20.049 222 HH22 ARG 25 HH22 ARG 25 6.360 28.468 19.535 223 H GLU 26 H GLU 26 3.692 22.134 14.553 224 HA GLU 26 HA GLU 26 1.876 23.106 12.429 225 HB2 GLU 26 HB3 GLU 26 3.760 22.969 10.814 226 HB3 GLU 26 HB2 GLU 26 4.001 24.196 12.057 227 HG2 GLU 26 HG3 GLU 26 5.398 22.579 13.345 228 HG3 GLU 26 HG2 GLU 26 5.209 21.410 12.037 229 H ALA 27 H ALA 27 2.112 20.508 14.139 230 HA ALA 27 HA ALA 27 1.770 18.244 13.778 231 HB1 ALA 27 HB1 ALA 27 0.106 17.913 12.290 232 HB2 ALA 27 HB2 ALA 27 1.142 18.338 10.930 233 HB3 ALA 27 HB3 ALA 27 0.291 19.599 11.812 234 H GLY 28 H GLY 28 4.342 19.022 13.737 235 HA2 GLY 28 HA3 GLY 28 5.905 18.549 11.485 236 HA3 GLY 28 HA2 GLY 28 6.458 18.385 13.141 237 H THR 29 H THR 29 4.863 16.225 14.000 238 HA THR 29 HA THR 29 4.828 14.007 12.250 239 HB THR 29 HB THR 29 6.912 12.949 13.731 240 HG1 THR 29 HG1 THR 29 8.139 14.483 14.377 241 HG21 THR 29 HG21 THR 29 6.387 13.228 11.074 242 HG22 THR 29 HG22 THR 29 7.911 12.614 11.710 243 HG23 THR 29 HG23 THR 29 7.775 14.305 11.239 244 H GLU 30 H GLU 30 5.119 11.861 13.726 245 HA GLU 30 HA GLU 30 3.977 12.288 16.388 246 HB2 GLU 30 HB3 GLU 30 2.177 10.605 15.932 247 HB3 GLU 30 HB2 GLU 30 1.982 12.093 15.017 248 HG2 GLU 30 HG3 GLU 30 3.174 10.934 13.091 249 HG3 GLU 30 HG2 GLU 30 3.028 9.436 14.007 250 H ALA 31 H ALA 31 6.417 11.612 16.377 251 HA ALA 31 HA ALA 31 6.717 8.689 16.232 252 HB1 ALA 31 HB1 ALA 31 9.127 9.154 16.486 253 HB2 ALA 31 HB2 ALA 31 8.771 10.879 16.588 254 HB3 ALA 31 HB3 ALA 31 8.432 9.994 15.100 255 HA PRO 32 HA PRO 32 6.345 8.811 20.770 256 HB2 PRO 32 HB3 PRO 32 6.047 6.156 21.148 257 HB3 PRO 32 HB2 PRO 32 4.736 7.160 20.491 258 HG2 PRO 32 HG3 PRO 32 6.687 5.431 19.021 259 HG3 PRO 32 HG2 PRO 32 4.934 5.544 18.827 260 HD2 PRO 32 HD3 PRO 32 6.661 6.815 17.193 261 HD3 PRO 32 HD2 PRO 32 5.058 7.471 17.594 262 H HIS 33 H HIS 33 7.445 7.179 22.484 263 HA HIS 33 HA HIS 33 9.384 6.513 23.500 264 HB2 HIS 33 HB3 HIS 33 10.060 5.702 20.667 265 HB3 HIS 33 HB2 HIS 33 11.020 5.264 22.077 266 HD1 HIS 33 HD1 HIS 33 9.978 3.567 23.760 267 HD2 HIS 33 HD2 HIS 33 7.564 4.364 20.462 268 HE1 HIS 33 HE1 HIS 33 8.144 1.819 23.779 269 HE2 HIS 33 HE2 HIS 33 6.667 2.287 21.767 270 H THR 34 H THR 34 9.161 9.257 22.732 271 HA THR 34 HA THR 34 11.963 9.974 22.110 272 HB THR 34 HB THR 34 11.076 12.221 21.582 273 HG1 THR 34 HG1 THR 34 8.702 12.232 21.351 274 HG21 THR 34 HG21 THR 34 9.943 11.591 19.502 275 HG22 THR 34 HG22 THR 34 9.651 9.970 20.137 276 HG23 THR 34 HG23 THR 34 11.299 10.507 19.813 277 H GLY 35 H GLY 35 10.269 9.355 24.786 278 HA2 GLY 35 HA3 GLY 35 11.736 11.335 26.377 279 HA3 GLY 35 HA2 GLY 35 9.995 11.192 26.619 280 H GLU 36 H GLU 36 12.988 10.082 27.579 281 HA GLU 36 HA GLU 36 12.447 7.378 28.244 282 HB2 GLU 36 HB3 GLU 36 14.502 7.502 29.513 283 HB3 GLU 36 HB2 GLU 36 14.683 8.392 28.006 284 HG2 GLU 36 HG3 GLU 36 14.234 10.515 29.200 285 HG3 GLU 36 HG2 GLU 36 14.098 9.624 30.710 286 H TYR 37 H TYR 37 11.635 10.361 29.751 287 HA TYR 37 HA TYR 37 11.174 9.313 32.397 288 HB2 TYR 37 HB3 TYR 37 10.415 11.927 31.085 289 HB3 TYR 37 HB2 TYR 37 10.099 11.548 32.778 290 HD1 TYR 37 HD1 TYR 37 12.686 12.291 30.274 291 HD2 TYR 37 HD2 TYR 37 11.937 11.290 34.384 292 HE1 TYR 37 HE1 TYR 37 15.008 12.941 30.855 293 HE2 TYR 37 HE2 TYR 37 14.259 11.939 34.965 294 HH TYR 37 HH TYR 37 16.374 12.273 33.984 295 H THR 38 H THR 38 9.474 8.805 29.583 296 HA THR 38 HA THR 38 6.782 9.204 30.438 297 HB THR 38 HB THR 38 6.200 7.790 28.507 298 HG1 THR 38 HG1 THR 38 8.060 6.388 28.847 299 HG21 THR 38 HG21 THR 38 8.343 9.879 28.115 300 HG22 THR 38 HG22 THR 38 6.599 10.057 27.921 301 HG23 THR 38 HG23 THR 38 7.525 9.113 26.754 302 H ASN 39 H ASN 39 5.222 7.501 30.867 303 HA ASN 39 HA ASN 39 6.362 5.042 32.036 304 HB2 ASN 39 HB3 ASN 39 4.279 6.794 33.359 305 HB3 ASN 39 HB2 ASN 39 4.901 5.267 33.983 306 HD21 ASN 39 HD21 ASN 39 7.561 5.356 33.890 307 HD22 ASN 39 HD22 ASN 39 8.200 6.747 34.622 308 H THR 40 H THR 40 5.080 3.231 31.903 309 HA THR 40 HA THR 40 2.378 3.465 30.800 310 HB THR 40 HB THR 40 4.428 1.658 29.503 311 HG1 THR 40 HG1 THR 40 5.013 3.298 28.357 312 HG21 THR 40 HG21 THR 40 2.722 1.470 27.762 313 HG22 THR 40 HG22 THR 40 1.689 2.612 28.623 314 HG23 THR 40 HG23 THR 40 2.030 1.029 29.323 315 H THR 41 H THR 41 2.631 2.873 33.304 316 HA THR 41 HA THR 41 2.594 -0.077 33.554 317 HB THR 41 HB THR 41 3.019 0.291 35.963 318 HG1 THR 41 HG1 THR 41 3.440 2.990 35.238 319 HG21 THR 41 HG21 THR 41 5.359 1.084 35.718 320 HG22 THR 41 HG22 THR 41 4.980 1.647 34.090 321 HG23 THR 41 HG23 THR 41 4.920 -0.076 34.464 322 H THR 42 H THR 42 0.632 2.735 33.664 323 HA THR 42 HA THR 42 -1.564 1.184 34.906 324 HB THR 42 HB THR 42 -1.225 4.183 35.114 325 HG1 THR 42 HG1 THR 42 -0.738 2.218 37.095 326 HG21 THR 42 HG21 THR 42 -3.029 4.097 36.636 327 HG22 THR 42 HG22 THR 42 -2.885 2.354 36.840 328 HG23 THR 42 HG23 THR 42 -3.522 3.016 35.335 329 H GLU 43 H GLU 43 -3.538 1.299 33.912 330 HA GLU 43 HA GLU 43 -3.630 2.699 31.308 331 HB2 GLU 43 HB3 GLU 43 -5.038 0.203 32.290 332 HB3 GLU 43 HB2 GLU 43 -5.445 1.024 30.782 333 HG2 GLU 43 HG3 GLU 43 -3.208 0.671 29.916 334 HG3 GLU 43 HG2 GLU 43 -2.666 0.025 31.461 335 H GLY 44 H GLY 44 -4.598 4.603 31.681 336 HA2 GLY 44 HA3 GLY 44 -7.213 4.562 33.044 337 HA3 GLY 44 HA2 GLY 44 -5.999 5.748 33.486 338 H ILE 45 H ILE 45 -5.963 7.620 32.468 339 HA ILE 45 HA ILE 45 -7.560 7.893 29.986 340 HB ILE 45 HB ILE 45 -7.278 9.840 32.296 341 HG12 ILE 45 HG13 ILE 45 -9.830 8.507 31.354 342 HG13 ILE 45 HG12 ILE 45 -8.773 7.692 32.505 343 HG21 ILE 45 HG21 ILE 45 -8.764 11.296 31.103 344 HG22 ILE 45 HG22 ILE 45 -9.105 10.065 29.888 345 HG23 ILE 45 HG23 ILE 45 -7.516 10.833 29.940 346 HD11 ILE 45 HD11 ILE 45 -9.675 10.530 32.976 347 HD12 ILE 45 HD12 ILE 45 -9.056 9.353 34.139 348 HD13 ILE 45 HD13 ILE 45 -10.671 9.155 33.459 349 H TYR 46 H TYR 46 -6.642 8.840 28.321 350 HA TYR 46 HA TYR 46 -3.867 9.537 28.338 351 HB2 TYR 46 HB3 TYR 46 -6.081 9.395 26.354 352 HB3 TYR 46 HB2 TYR 46 -4.762 10.486 25.955 353 HD1 TYR 46 HD1 TYR 46 -5.097 7.014 27.427 354 HD2 TYR 46 HD2 TYR 46 -3.147 9.564 24.569 355 HE1 TYR 46 HE1 TYR 46 -3.744 5.093 26.631 356 HE2 TYR 46 HE2 TYR 46 -1.791 7.646 23.782 357 HH TYR 46 HH TYR 46 -2.450 4.679 24.092 358 H SER 47 H SER 47 -2.928 11.564 28.372 359 HA SER 47 HA SER 47 -4.717 13.880 28.379 360 HB2 SER 47 HB3 SER 47 -3.491 14.849 30.317 361 HB3 SER 47 HB2 SER 47 -4.445 13.428 30.717 362 HG SER 47 HG SER 47 -2.151 13.573 31.466 363 H CYS 48 H CYS 48 -4.046 15.479 27.175 364 HA CYS 48 HA CYS 48 -1.803 15.479 25.522 365 HB2 CYS 48 HB3 CYS 48 -3.979 16.980 25.601 366 HB3 CYS 48 HB2 CYS 48 -2.969 18.061 26.532 367 H ARG 49 H ARG 49 0.315 15.767 26.001 368 HA ARG 49 HA ARG 49 1.217 16.320 28.627 369 HB2 ARG 49 HB3 ARG 49 2.497 15.175 26.668 370 HB3 ARG 49 HB2 ARG 49 2.929 16.818 26.194 371 HG2 ARG 49 HG3 ARG 49 3.742 17.175 28.580 372 HG3 ARG 49 HG2 ARG 49 3.543 15.441 28.822 373 HD2 ARG 49 HD3 ARG 49 5.039 15.114 26.787 374 HD3 ARG 49 HD2 ARG 49 5.395 16.834 26.883 375 HE ARG 49 HE ARG 49 6.374 14.763 28.649 376 HH11 ARG 49 HH11 ARG 49 5.668 18.182 28.391 377 HH12 ARG 49 HH12 ARG 49 6.803 18.626 29.622 378 HH21 ARG 49 HH21 ARG 49 7.845 15.381 30.229 379 HH22 ARG 49 HH22 ARG 49 8.024 17.051 30.655 380 H ALA 50 H ALA 50 0.571 18.319 25.842 381 HA ALA 50 HA ALA 50 1.918 20.675 26.554 382 HB1 ALA 50 HB1 ALA 50 0.868 21.574 24.726 383 HB2 ALA 50 HB2 ALA 50 -0.687 20.821 25.114 384 HB3 ALA 50 HB3 ALA 50 0.606 19.865 24.390 385 H CYS 51 H CYS 51 -1.497 19.785 27.121 386 HA CYS 51 HA CYS 51 -1.656 21.992 29.093 387 HB2 CYS 51 HB3 CYS 51 -4.226 21.750 28.493 388 HB3 CYS 51 HB2 CYS 51 -3.148 22.740 27.517 389 H GLY 52 H GLY 52 -2.664 18.701 28.352 390 HA2 GLY 52 HA3 GLY 52 -2.693 17.005 30.064 391 HA3 GLY 52 HA2 GLY 52 -3.134 18.241 31.232 392 H THR 53 H THR 53 -4.662 18.187 28.095 393 HA THR 53 HA THR 53 -7.276 17.904 29.289 394 HB THR 53 HB THR 53 -7.465 17.547 26.462 395 HG1 THR 53 HG1 THR 53 -5.853 18.588 25.682 396 HG21 THR 53 HG21 THR 53 -8.541 19.673 26.505 397 HG22 THR 53 HG22 THR 53 -7.658 20.170 27.949 398 HG23 THR 53 HG23 THR 53 -8.897 18.919 28.059 399 H GLU 54 H GLU 54 -8.651 16.185 29.271 400 HA GLU 54 HA GLU 54 -7.514 13.569 28.930 401 HB2 GLU 54 HB3 GLU 54 -10.362 14.454 29.449 402 HB3 GLU 54 HB2 GLU 54 -9.805 12.782 29.502 403 HG2 GLU 54 HG3 GLU 54 -8.190 13.406 31.282 404 HG3 GLU 54 HG2 GLU 54 -8.818 15.052 31.246 405 H LEU 55 H LEU 55 -6.867 14.017 26.694 406 HA LEU 55 HA LEU 55 -8.604 14.451 24.544 407 HB2 LEU 55 HB3 LEU 55 -6.040 12.823 24.525 408 HB3 LEU 55 HB2 LEU 55 -6.789 13.601 23.138 409 HG LEU 55 HG LEU 55 -5.601 14.997 25.553 410 HD11 LEU 55 HD11 LEU 55 -3.866 14.131 24.167 411 HD12 LEU 55 HD12 LEU 55 -3.985 15.857 23.828 412 HD13 LEU 55 HD13 LEU 55 -4.676 14.688 22.703 413 HD21 LEU 55 HD21 LEU 55 -7.589 16.190 24.425 414 HD22 LEU 55 HD22 LEU 55 -6.536 16.359 23.021 415 HD23 LEU 55 HD23 LEU 55 -6.086 17.086 24.561 416 H PHE 56 H PHE 56 -7.500 11.394 25.988 417 HA PHE 56 HA PHE 56 -9.771 10.023 24.733 418 HB2 PHE 56 HB3 PHE 56 -6.894 9.101 24.490 419 HB3 PHE 56 HB2 PHE 56 -8.298 8.130 24.051 420 HD1 PHE 56 HD1 PHE 56 -6.186 10.984 23.145 421 HD2 PHE 56 HD2 PHE 56 -9.733 8.778 22.147 422 HE1 PHE 56 HE1 PHE 56 -6.251 12.092 20.926 423 HE2 PHE 56 HE2 PHE 56 -9.798 9.885 19.928 424 HZ PHE 56 HZ PHE 56 -8.057 11.543 19.319 425 H ARG 57 H ARG 57 -10.122 7.808 25.670 426 HA ARG 57 HA ARG 57 -9.020 7.508 28.376 427 HB2 ARG 57 HB3 ARG 57 -11.283 6.928 29.218 428 HB3 ARG 57 HB2 ARG 57 -11.161 8.601 28.691 429 HG2 ARG 57 HG3 ARG 57 -12.180 7.982 26.519 430 HG3 ARG 57 HG2 ARG 57 -12.314 6.316 27.070 431 HD2 ARG 57 HD3 ARG 57 -13.795 7.000 28.888 432 HD3 ARG 57 HD2 ARG 57 -13.601 8.689 28.439 433 HE ARG 57 HE ARG 57 -14.541 7.264 26.191 434 HH11 ARG 57 HH11 ARG 57 -15.659 8.303 29.346 435 HH12 ARG 57 HH12 ARG 57 -17.319 8.383 28.858 436 HH21 ARG 57 HH21 ARG 57 -16.707 7.384 25.599 437 HH22 ARG 57 HH22 ARG 57 -17.905 7.866 26.753 438 H SER 58 H SER 58 -9.217 5.416 29.259 439 HA SER 58 HA SER 58 -8.419 3.363 27.546 440 HB2 SER 58 HB3 SER 58 -7.828 3.469 29.914 441 HB3 SER 58 HB2 SER 58 -9.506 3.165 30.355 442 HG SER 58 HG SER 58 -8.526 1.202 30.358 443 H THR 59 H THR 59 -11.686 4.276 28.442 444 HA THR 59 HA THR 59 -12.832 1.695 28.108 445 HB THR 59 HB THR 59 -13.875 3.704 29.298 446 HG1 THR 59 HG1 THR 59 -15.286 2.028 27.518 447 HG21 THR 59 HG21 THR 59 -14.898 5.385 28.169 448 HG22 THR 59 HG22 THR 59 -15.453 4.321 26.885 449 HG23 THR 59 HG23 THR 59 -13.813 4.956 26.847 450 H GLU 60 H GLU 60 -12.209 4.264 25.776 451 HA GLU 60 HA GLU 60 -13.464 2.654 23.656 452 HB2 GLU 60 HB3 GLU 60 -12.862 5.529 24.045 453 HB3 GLU 60 HB2 GLU 60 -12.583 4.939 22.414 454 HG2 GLU 60 HG3 GLU 60 -14.876 5.739 22.568 455 HG3 GLU 60 HG2 GLU 60 -14.903 3.986 22.411 456 H LYS 61 H LYS 61 -10.402 3.275 25.000 457 HA LYS 61 HA LYS 61 -8.866 2.785 22.585 458 HB2 LYS 61 HB3 LYS 61 -7.978 4.349 24.170 459 HB3 LYS 61 HB2 LYS 61 -8.143 3.198 25.488 460 HG2 LYS 61 HG3 LYS 61 -6.436 1.751 24.425 461 HG3 LYS 61 HG2 LYS 61 -6.271 2.925 23.126 462 HD2 LYS 61 HD3 LYS 61 -5.466 4.614 24.648 463 HD3 LYS 61 HD2 LYS 61 -5.824 3.593 26.042 464 HE2 LYS 61 HE3 LYS 61 -3.843 2.872 23.862 465 HE3 LYS 61 HE2 LYS 61 -3.401 3.574 25.417 466 HZ1 LYS 61 HZ1 LYS 61 -3.181 1.274 25.684 467 HZ2 LYS 61 HZ2 LYS 61 -4.647 0.945 24.890 468 HZ3 LYS 61 HZ3 LYS 61 -4.653 1.655 26.434 469 H PHE 62 H PHE 62 -8.230 0.842 21.896 470 HA PHE 62 HA PHE 62 -8.368 -1.451 23.775 471 HB2 PHE 62 HB3 PHE 62 -9.272 -1.330 20.897 472 HB3 PHE 62 HB2 PHE 62 -9.061 -2.836 21.791 473 HD1 PHE 62 HD1 PHE 62 -11.024 0.283 21.540 474 HD2 PHE 62 HD2 PHE 62 -10.553 -3.455 23.603 475 HE1 PHE 62 HE1 PHE 62 -13.261 0.570 22.574 476 HE2 PHE 62 HE2 PHE 62 -12.788 -3.168 24.636 477 HZ PHE 62 HZ PHE 62 -14.143 -1.156 24.121 478 H ASN 63 H ASN 63 -6.356 0.301 21.670 479 HA ASN 63 HA ASN 63 -4.549 -2.021 21.328 480 HB2 ASN 63 HB3 ASN 63 -4.665 0.578 19.786 481 HB3 ASN 63 HB2 ASN 63 -3.492 -0.711 19.519 482 HD21 ASN 63 HD21 ASN 63 -5.942 0.408 17.888 483 HD22 ASN 63 HD22 ASN 63 -6.760 -1.007 17.432 484 H SER 64 H SER 64 -2.606 -2.041 22.273 485 HA SER 64 HA SER 64 -1.563 0.456 23.460 486 HB2 SER 64 HB3 SER 64 -1.682 -2.250 24.808 487 HB3 SER 64 HB2 SER 64 -0.877 -0.824 25.455 488 HG SER 64 HG SER 64 -3.622 -1.310 25.036 489 H HIS 65 H HIS 65 0.664 0.640 23.573 490 HA HIS 65 HA HIS 65 2.798 0.432 22.753 491 HB2 HIS 65 HB3 HIS 65 2.510 -1.382 24.586 492 HB3 HIS 65 HB2 HIS 65 2.490 -2.527 23.248 493 HD1 HIS 65 HD1 HIS 65 4.667 -2.370 21.598 494 HD2 HIS 65 HD2 HIS 65 5.058 -0.600 25.352 495 HE1 HIS 65 HE1 HIS 65 7.150 -2.054 21.986 496 HE2 HIS 65 HE2 HIS 65 7.405 -0.975 24.270 497 H CYS 66 H CYS 66 1.057 0.589 20.658 498 HA CYS 66 HA CYS 66 2.258 -1.257 18.681 499 HB2 CYS 66 HB3 CYS 66 -0.617 -0.322 18.779 500 HB3 CYS 66 HB2 CYS 66 0.103 -1.247 17.462 501 HG CYS 66 HG CYS 66 0.297 -3.292 18.985 502 H GLY 67 H GLY 67 2.371 -0.408 16.503 503 HA2 GLY 67 HA3 GLY 67 2.969 2.452 16.476 504 HA3 GLY 67 HA2 GLY 67 3.340 1.293 15.202 505 H TRP 68 H TRP 68 1.695 3.976 15.597 506 HA TRP 68 HA TRP 68 -0.245 4.931 14.813 507 HB2 TRP 68 HB3 TRP 68 0.467 3.037 12.563 508 HB3 TRP 68 HB2 TRP 68 -0.751 4.305 12.430 509 HD1 TRP 68 HD1 TRP 68 0.134 6.863 12.918 510 HE1 TRP 68 HE1 TRP 68 2.414 7.942 12.379 511 HE3 TRP 68 HE3 TRP 68 2.950 2.655 12.235 512 HZ2 TRP 68 HZ2 TRP 68 5.077 7.118 11.719 513 HZ3 TRP 68 HZ3 TRP 68 5.350 2.832 11.647 514 HH2 TRP 68 HH2 TRP 68 6.417 5.055 11.388 515 HA PRO 69 HA PRO 69 -2.925 1.197 15.990 516 HB2 PRO 69 HB3 PRO 69 -3.583 1.880 18.523 517 HB3 PRO 69 HB2 PRO 69 -2.088 1.004 18.142 518 HG2 PRO 69 HG3 PRO 69 -2.483 3.916 18.659 519 HG3 PRO 69 HG2 PRO 69 -1.230 2.828 19.279 520 HD2 PRO 69 HD3 PRO 69 -0.809 4.511 17.181 521 HD3 PRO 69 HD2 PRO 69 0.014 2.943 17.331 522 H SER 70 H SER 70 -5.243 1.215 16.445 523 HA SER 70 HA SER 70 -6.498 3.818 15.812 524 HB2 SER 70 HB3 SER 70 -8.358 2.510 14.892 525 HB3 SER 70 HB2 SER 70 -6.841 2.079 14.106 526 HG SER 70 HG SER 70 -7.070 0.135 14.858 527 H PHE 71 H PHE 71 -8.297 4.489 16.961 528 HA PHE 71 HA PHE 71 -9.143 2.895 19.299 529 HB2 PHE 71 HB3 PHE 71 -8.527 5.847 19.506 530 HB3 PHE 71 HB2 PHE 71 -8.970 4.754 20.805 531 HD1 PHE 71 HD1 PHE 71 -6.281 6.485 19.543 532 HD2 PHE 71 HD2 PHE 71 -7.313 2.484 20.729 533 HE1 PHE 71 HE1 PHE 71 -3.887 5.977 19.925 534 HE2 PHE 71 HE2 PHE 71 -4.917 1.984 21.110 535 HZ PHE 71 HZ PHE 71 -3.205 3.728 20.711 536 H PHE 72 H PHE 72 -11.204 3.803 20.220 537 HA PHE 72 HA PHE 72 -12.953 4.590 18.028 538 HB2 PHE 72 HB3 PHE 72 -13.557 3.706 20.860 539 HB3 PHE 72 HB2 PHE 72 -14.777 4.076 19.644 540 HD1 PHE 72 HD1 PHE 72 -12.890 1.461 21.065 541 HD2 PHE 72 HD2 PHE 72 -14.353 2.861 17.274 542 HE1 PHE 72 HE1 PHE 72 -12.660 -0.823 20.126 543 HE2 PHE 72 HE2 PHE 72 -14.124 0.578 16.342 544 HZ PHE 72 HZ PHE 72 -13.277 -1.264 17.768 545 H SER 73 H SER 73 -14.945 5.982 19.332 546 HA SER 73 HA SER 73 -14.218 8.600 19.087 547 HB2 SER 73 HB3 SER 73 -16.538 7.729 19.287 548 HB3 SER 73 HB2 SER 73 -16.301 7.588 21.021 549 HG SER 73 HG SER 73 -16.796 9.620 21.104 550 HA PRO 74 HA PRO 74 -11.765 9.566 22.734 551 HB2 PRO 74 HB3 PRO 74 -12.075 12.287 22.818 552 HB3 PRO 74 HB2 PRO 74 -11.019 11.469 21.651 553 HG2 PRO 74 HG3 PRO 74 -13.786 12.514 21.283 554 HG3 PRO 74 HG2 PRO 74 -12.384 12.632 20.205 555 HD2 PRO 74 HD3 PRO 74 -14.354 10.818 19.800 556 HD3 PRO 74 HD2 PRO 74 -12.658 10.477 19.389 557 H LEU 75 H LEU 75 -12.203 11.418 24.693 558 HA LEU 75 HA LEU 75 -14.071 10.293 26.384 559 HB2 LEU 75 HB3 LEU 75 -12.556 12.832 26.307 560 HB3 LEU 75 HB2 LEU 75 -14.057 12.935 27.227 561 HG LEU 75 HG LEU 75 -13.277 10.739 28.364 562 HD11 LEU 75 HD11 LEU 75 -10.773 11.636 26.943 563 HD12 LEU 75 HD12 LEU 75 -11.472 10.024 27.033 564 HD13 LEU 75 HD13 LEU 75 -10.682 10.719 28.446 565 HD21 LEU 75 HD21 LEU 75 -11.993 13.440 28.779 566 HD22 LEU 75 HD22 LEU 75 -11.726 12.099 29.894 567 HD23 LEU 75 HD23 LEU 75 -13.352 12.738 29.653 568 H ALA 76 H ALA 76 -14.567 13.443 24.737 569 HA ALA 76 HA ALA 76 -17.340 12.717 24.170 570 HB1 ALA 76 HB1 ALA 76 -16.984 13.772 26.584 571 HB2 ALA 76 HB2 ALA 76 -18.396 14.160 25.599 572 HB3 ALA 76 HB3 ALA 76 -17.030 15.274 25.661 573 H GLY 77 H GLY 77 -14.591 14.073 23.080 574 HA2 GLY 77 HA3 GLY 77 -14.195 15.242 21.109 575 HA3 GLY 77 HA2 GLY 77 -15.929 15.499 20.947 576 H ASP 78 H ASP 78 -15.063 16.401 24.042 577 HA ASP 78 HA ASP 78 -15.232 19.231 23.407 578 HB2 ASP 78 HB3 ASP 78 -15.101 17.746 26.037 579 HB3 ASP 78 HB2 ASP 78 -15.359 19.479 25.854 580 H LYS 79 H LYS 79 -12.921 16.861 24.496 581 HA LYS 79 HA LYS 79 -10.942 18.882 25.188 582 HB2 LYS 79 HB3 LYS 79 -10.312 15.946 25.088 583 HB3 LYS 79 HB2 LYS 79 -9.654 17.185 26.151 584 HG2 LYS 79 HG3 LYS 79 -12.502 16.115 26.291 585 HG3 LYS 79 HG2 LYS 79 -11.189 15.600 27.337 586 HD2 LYS 79 HD3 LYS 79 -10.988 17.819 28.288 587 HD3 LYS 79 HD2 LYS 79 -12.166 18.458 27.137 588 HE2 LYS 79 HE3 LYS 79 -13.905 17.015 28.059 589 HE3 LYS 79 HE2 LYS 79 -12.748 16.278 29.163 590 HZ1 LYS 79 HZ1 LYS 79 -12.682 18.131 30.468 591 HZ2 LYS 79 HZ2 LYS 79 -14.275 18.270 29.895 592 HZ3 LYS 79 HZ3 LYS 79 -13.033 19.194 29.194 593 H VAL 80 H VAL 80 -11.916 17.047 22.476 594 HA VAL 80 HA VAL 80 -9.521 17.892 20.981 595 HB VAL 80 HB VAL 80 -9.498 15.726 19.771 596 HG11 VAL 80 HG11 VAL 80 -8.712 14.316 21.758 597 HG12 VAL 80 HG12 VAL 80 -9.185 15.678 22.777 598 HG13 VAL 80 HG13 VAL 80 -7.930 15.885 21.552 599 HG21 VAL 80 HG21 VAL 80 -10.742 13.803 20.868 600 HG22 VAL 80 HG22 VAL 80 -11.772 14.968 20.036 601 HG23 VAL 80 HG23 VAL 80 -11.641 15.006 21.794 602 H ILE 81 H ILE 81 -9.890 18.310 18.757 603 HA ILE 81 HA ILE 81 -12.733 18.345 17.940 604 HB ILE 81 HB ILE 81 -10.684 20.514 17.995 605 HG12 ILE 81 HG13 ILE 81 -12.697 21.928 18.266 606 HG13 ILE 81 HG12 ILE 81 -13.723 20.528 17.984 607 HG21 ILE 81 HG21 ILE 81 -11.661 21.742 16.091 608 HG22 ILE 81 HG22 ILE 81 -12.662 20.345 15.699 609 HG23 ILE 81 HG23 ILE 81 -10.906 20.238 15.555 610 HD11 ILE 81 HD11 ILE 81 -13.375 19.687 20.085 611 HD12 ILE 81 HD12 ILE 81 -13.003 21.370 20.464 612 HD13 ILE 81 HD13 ILE 81 -11.698 20.229 20.147 613 H GLU 82 H GLU 82 -13.235 17.587 16.007 614 HA GLU 82 HA GLU 82 -11.051 16.561 14.293 615 HB2 GLU 82 HB3 GLU 82 -13.867 15.500 14.160 616 HB3 GLU 82 HB2 GLU 82 -12.364 14.707 13.712 617 HG2 GLU 82 HG3 GLU 82 -11.768 14.755 16.213 618 HG3 GLU 82 HG2 GLU 82 -13.447 15.195 16.494 619 H ARG 83 H ARG 83 -10.905 17.423 12.309 620 HA ARG 83 HA ARG 83 -13.278 18.490 10.970 621 HB2 ARG 83 HB3 ARG 83 -12.165 20.636 10.459 622 HB3 ARG 83 HB2 ARG 83 -12.401 20.425 12.192 623 HG2 ARG 83 HG3 ARG 83 -10.066 19.727 12.459 624 HG3 ARG 83 HG2 ARG 83 -9.815 19.834 10.717 625 HD2 ARG 83 HD3 ARG 83 -10.658 22.167 12.456 626 HD3 ARG 83 HD2 ARG 83 -8.995 21.847 11.972 627 HE ARG 83 HE ARG 83 -10.532 21.892 9.637 628 HH11 ARG 83 HH11 ARG 83 -9.630 24.126 12.184 629 HH12 ARG 83 HH12 ARG 83 -9.730 25.517 11.156 630 HH21 ARG 83 HH21 ARG 83 -10.649 23.726 8.338 631 HH22 ARG 83 HH22 ARG 83 -10.302 25.290 8.997 632 H THR 84 H THR 84 -12.986 18.769 8.675 633 HA THR 84 HA THR 84 -10.974 16.947 7.614 634 HB THR 84 HB THR 84 -13.374 16.742 6.953 635 HG1 THR 84 HG1 THR 84 -11.700 15.958 5.637 636 HG21 THR 84 HG21 THR 84 -13.715 19.274 6.813 637 HG22 THR 84 HG22 THR 84 -14.395 18.325 5.490 638 HG23 THR 84 HG23 THR 84 -12.877 19.195 5.263 639 H ASP 85 H ASP 85 -9.542 17.435 5.949 640 HA ASP 85 HA ASP 85 -9.045 20.318 5.483 641 HB2 ASP 85 HB3 ASP 85 -7.424 19.406 7.111 642 HB3 ASP 85 HB2 ASP 85 -6.953 18.178 5.939 643 H THR 86 H THR 86 -9.271 20.757 3.398 644 HA THR 86 HA THR 86 -9.098 18.685 1.387 645 HB THR 86 HB THR 86 -9.523 21.633 0.885 646 HG1 THR 86 HG1 THR 86 -11.264 21.431 2.016 647 HG21 THR 86 HG21 THR 86 -10.234 19.063 -0.540 648 HG22 THR 86 HG22 THR 86 -9.234 20.390 -1.130 649 HG23 THR 86 HG23 THR 86 -10.975 20.610 -0.954 650 H SER 87 H SER 87 -6.843 18.344 2.022 651 HA SER 87 HA SER 87 -4.777 20.197 1.445 652 HB2 SER 87 HB3 SER 87 -3.281 18.265 1.549 653 HB3 SER 87 HB2 SER 87 -4.456 18.200 2.858 654 HG SER 87 HG SER 87 -5.058 16.359 2.070 655 H HIS 88 H HIS 88 -6.436 17.789 -0.526 656 HA HIS 88 HA HIS 88 -5.474 19.055 -2.951 657 HB2 HIS 88 HB3 HIS 88 -3.912 17.026 -1.959 658 HB3 HIS 88 HB2 HIS 88 -5.025 16.111 -2.971 659 HD1 HIS 88 HD1 HIS 88 -5.362 17.593 -5.463 660 HD2 HIS 88 HD2 HIS 88 -1.710 17.698 -3.455 661 HE1 HIS 88 HE1 HIS 88 -3.623 18.267 -7.174 662 HE2 HIS 88 HE2 HIS 88 -1.391 18.339 -5.966 663 H GLY 89 H GLY 89 -6.271 16.468 -4.444 664 HA2 GLY 89 HA3 GLY 89 -8.953 17.112 -4.977 665 HA3 GLY 89 HA2 GLY 89 -8.163 15.604 -5.425 666 H MET 90 H MET 90 -7.538 15.119 -2.500 667 HA MET 90 HA MET 90 -10.234 14.247 -1.645 668 HB2 MET 90 HB3 MET 90 -9.137 12.315 -0.563 669 HB3 MET 90 HB2 MET 90 -8.849 12.328 -2.300 670 HG2 MET 90 HG3 MET 90 -6.625 13.338 -1.926 671 HG3 MET 90 HG2 MET 90 -6.913 13.331 -0.186 672 HE1 MET 90 HE1 MET 90 -8.230 10.359 0.488 673 HE2 MET 90 HE2 MET 90 -7.229 11.614 1.212 674 HE3 MET 90 HE3 MET 90 -6.607 9.971 1.075 675 H VAL 91 H VAL 91 -10.626 14.214 0.639 676 HA VAL 91 HA VAL 91 -8.937 16.141 2.121 677 HB VAL 91 HB VAL 91 -10.950 16.748 3.376 678 HG11 VAL 91 HG11 VAL 91 -12.229 17.140 0.808 679 HG12 VAL 91 HG12 VAL 91 -10.488 17.325 0.615 680 HG13 VAL 91 HG13 VAL 91 -11.351 18.299 1.801 681 HG21 VAL 91 HG21 VAL 91 -12.382 14.799 1.542 682 HG22 VAL 91 HG22 VAL 91 -13.157 15.867 2.712 683 HG23 VAL 91 HG23 VAL 91 -12.102 14.569 3.269 684 H ARG 92 H ARG 92 -8.758 15.841 4.434 685 HA ARG 92 HA ARG 92 -9.233 13.089 5.382 686 HB2 ARG 92 HB3 ARG 92 -6.653 14.658 5.613 687 HB3 ARG 92 HB2 ARG 92 -6.994 13.164 6.480 688 HG2 ARG 92 HG3 ARG 92 -7.193 11.928 4.409 689 HG3 ARG 92 HG2 ARG 92 -7.099 13.413 3.463 690 HD2 ARG 92 HD3 ARG 92 -4.892 12.406 5.278 691 HD3 ARG 92 HD2 ARG 92 -4.936 12.151 3.535 692 HE ARG 92 HE ARG 92 -5.230 14.899 3.979 693 HH11 ARG 92 HH11 ARG 92 -2.794 12.430 4.493 694 HH12 ARG 92 HH12 ARG 92 -1.474 13.542 4.349 695 HH21 ARG 92 HH21 ARG 92 -3.483 16.307 3.798 696 HH22 ARG 92 HH22 ARG 92 -1.862 15.718 3.959 697 H THR 93 H THR 93 -9.673 12.928 7.597 698 HA THR 93 HA THR 93 -10.433 15.449 8.854 699 HB THR 93 HB THR 93 -10.853 12.639 9.884 700 HG1 THR 93 HG1 THR 93 -12.393 12.529 8.484 701 HG21 THR 93 HG21 THR 93 -12.752 13.856 11.090 702 HG22 THR 93 HG22 THR 93 -11.965 15.357 10.605 703 HG23 THR 93 HG23 THR 93 -11.123 14.221 11.658 704 H GLU 94 H GLU 94 -8.872 16.497 9.855 705 HA GLU 94 HA GLU 94 -6.649 15.116 11.103 706 HB2 GLU 94 HB3 GLU 94 -7.333 18.059 10.887 707 HB3 GLU 94 HB2 GLU 94 -5.857 17.424 11.610 708 HG2 GLU 94 HG3 GLU 94 -5.296 16.329 9.461 709 HG3 GLU 94 HG2 GLU 94 -6.747 17.019 8.741 710 H VAL 95 H VAL 95 -6.339 14.849 13.222 711 HA VAL 95 HA VAL 95 -8.539 15.592 15.029 712 HB VAL 95 HB VAL 95 -6.232 13.652 15.422 713 HG11 VAL 95 HG11 VAL 95 -6.800 14.380 17.601 714 HG12 VAL 95 HG12 VAL 95 -7.782 12.930 17.393 715 HG13 VAL 95 HG13 VAL 95 -8.515 14.527 17.209 716 HG21 VAL 95 HG21 VAL 95 -7.826 11.911 15.071 717 HG22 VAL 95 HG22 VAL 95 -8.089 13.057 13.758 718 HG23 VAL 95 HG23 VAL 95 -9.181 13.035 15.143 719 H ILE 96 H ILE 96 -8.298 17.279 16.287 720 HA ILE 96 HA ILE 96 -5.592 18.151 17.071 721 HB ILE 96 HB ILE 96 -6.385 20.480 16.977 722 HG12 ILE 96 HG13 ILE 96 -8.710 19.528 15.289 723 HG13 ILE 96 HG12 ILE 96 -8.886 19.675 17.037 724 HG21 ILE 96 HG21 ILE 96 -6.460 20.587 14.426 725 HG22 ILE 96 HG22 ILE 96 -6.392 18.824 14.452 726 HG23 ILE 96 HG23 ILE 96 -5.071 19.770 15.137 727 HD11 ILE 96 HD11 ILE 96 -8.660 21.958 17.016 728 HD12 ILE 96 HD12 ILE 96 -9.424 21.721 15.446 729 HD13 ILE 96 HD13 ILE 96 -7.680 21.974 15.549 730 H CYS 97 H CYS 97 -5.532 19.411 19.019 731 HA CYS 97 HA CYS 97 -7.340 18.378 21.054 732 HB2 CYS 97 HB3 CYS 97 -4.875 18.679 21.323 733 HB3 CYS 97 HB2 CYS 97 -5.114 20.406 21.316 734 H ALA 98 H ALA 98 -8.982 19.501 21.996 735 HA ALA 98 HA ALA 98 -10.217 21.607 20.644 736 HB1 ALA 98 HB1 ALA 98 -11.348 20.028 22.199 737 HB2 ALA 98 HB2 ALA 98 -11.741 21.718 22.517 738 HB3 ALA 98 HB3 ALA 98 -10.590 20.871 23.551 739 H ASN 99 H ASN 99 -7.639 21.725 22.948 740 HA ASN 99 HA ASN 99 -8.090 24.610 23.418 741 HB2 ASN 99 HB3 ASN 99 -6.321 24.282 25.194 742 HB3 ASN 99 HB2 ASN 99 -7.833 23.430 25.441 743 HD21 ASN 99 HD21 ASN 99 -7.585 21.320 26.066 744 HD22 ASN 99 HD22 ASN 99 -6.280 20.331 25.636 745 H CYS 100 H CYS 100 -5.755 22.304 22.178 746 HA CYS 100 HA CYS 100 -4.241 24.574 21.023 747 HB2 CYS 100 HB3 CYS 100 -2.133 23.337 21.404 748 HB3 CYS 100 HB2 CYS 100 -2.950 23.765 22.901 749 H GLU 101 H GLU 101 -2.889 23.950 19.135 750 HA GLU 101 HA GLU 101 -4.521 22.410 17.321 751 HB2 GLU 101 HB3 GLU 101 -2.001 24.037 16.984 752 HB3 GLU 101 HB2 GLU 101 -2.687 23.095 15.662 753 HG2 GLU 101 HG3 GLU 101 -4.768 24.312 15.776 754 HG3 GLU 101 HG2 GLU 101 -4.270 25.129 17.254 755 H SER 102 H SER 102 -4.169 20.398 18.620 756 HA SER 102 HA SER 102 -1.628 19.042 18.212 757 HB2 SER 102 HB3 SER 102 -4.208 18.049 19.438 758 HB3 SER 102 HB2 SER 102 -2.685 17.171 19.418 759 HG SER 102 HG SER 102 -2.535 18.209 21.283 760 H HIS 103 H HIS 103 -2.364 19.715 15.843 761 HA HIS 103 HA HIS 103 -4.023 17.797 14.469 762 HB2 HIS 103 HB3 HIS 103 -2.886 18.869 12.389 763 HB3 HIS 103 HB2 HIS 103 -3.997 19.845 13.338 764 HD1 HIS 103 HD1 HIS 103 -2.874 22.080 12.711 765 HD2 HIS 103 HD2 HIS 103 -0.249 19.398 14.538 766 HE1 HIS 103 HE1 HIS 103 -0.794 23.398 13.300 767 HE2 HIS 103 HE2 HIS 103 0.811 21.781 14.416 768 H LEU 104 H LEU 104 -1.528 16.921 16.010 769 HA LEU 104 HA LEU 104 0.336 15.920 14.095 770 HB2 LEU 104 HB3 LEU 104 1.289 14.734 16.020 771 HB3 LEU 104 HB2 LEU 104 0.951 16.423 16.380 772 HG LEU 104 HG LEU 104 -1.388 15.413 17.235 773 HD11 LEU 104 HD11 LEU 104 -0.818 13.238 18.472 774 HD12 LEU 104 HD12 LEU 104 0.579 13.117 17.401 775 HD13 LEU 104 HD13 LEU 104 -1.048 13.106 16.733 776 HD21 LEU 104 HD21 LEU 104 1.085 15.094 18.957 777 HD22 LEU 104 HD22 LEU 104 -0.542 15.543 19.467 778 HD23 LEU 104 HD23 LEU 104 0.428 16.673 18.525 779 H GLY 105 H GLY 105 -2.704 14.771 15.331 780 HA2 GLY 105 HA3 GLY 105 -2.224 12.111 14.138 781 HA3 GLY 105 HA2 GLY 105 -3.331 12.436 15.464 782 H HIS 106 H HIS 106 -3.959 11.092 13.041 783 HA HIS 106 HA HIS 106 -6.018 12.895 11.909 784 HB2 HIS 106 HB3 HIS 106 -4.302 10.845 10.493 785 HB3 HIS 106 HB2 HIS 106 -5.796 11.478 9.804 786 HD1 HIS 106 HD1 HIS 106 -2.443 12.739 11.101 787 HD2 HIS 106 HD2 HIS 106 -5.488 13.908 8.490 788 HE1 HIS 106 HE1 HIS 106 -1.619 14.825 9.925 789 HE2 HIS 106 HE2 HIS 106 -3.460 15.549 8.334 790 H VAL 107 H VAL 107 -7.966 11.782 11.182 791 HA VAL 107 HA VAL 107 -8.358 9.086 12.295 792 HB VAL 107 HB VAL 107 -9.167 10.679 13.977 793 HG11 VAL 107 HG11 VAL 107 -10.791 12.337 13.570 794 HG12 VAL 107 HG12 VAL 107 -11.261 11.627 12.025 795 HG13 VAL 107 HG13 VAL 107 -9.716 12.460 12.179 796 HG21 VAL 107 HG21 VAL 107 -10.369 8.598 13.867 797 HG22 VAL 107 HG22 VAL 107 -11.313 9.152 12.485 798 HG23 VAL 107 HG23 VAL 107 -11.565 9.879 14.071 799 H PHE 108 H PHE 108 -9.843 7.811 11.213 800 HA PHE 108 HA PHE 108 -10.932 8.932 8.688 801 HB2 PHE 108 HB3 PHE 108 -9.774 6.179 9.188 802 HB3 PHE 108 HB2 PHE 108 -10.604 6.662 7.709 803 HD1 PHE 108 HD1 PHE 108 -7.554 7.022 9.722 804 HD2 PHE 108 HD2 PHE 108 -9.618 8.327 6.187 805 HE1 PHE 108 HE1 PHE 108 -5.450 8.011 8.858 806 HE2 PHE 108 HE2 PHE 108 -7.514 9.315 5.324 807 HZ PHE 108 HZ PHE 108 -5.430 9.157 6.659 808 H ALA 109 H ALA 109 -12.989 8.331 8.086 809 HA ALA 109 HA ALA 109 -14.544 6.815 10.100 810 HB1 ALA 109 HB1 ALA 109 -15.719 8.850 8.219 811 HB2 ALA 109 HB2 ALA 109 -15.005 9.330 9.759 812 HB3 ALA 109 HB3 ALA 109 -16.385 8.232 9.731 813 H GLY 110 H GLY 110 -16.279 5.509 9.344 814 HA2 GLY 110 HA3 GLY 110 -17.428 4.144 7.864 815 HA3 GLY 110 HA2 GLY 110 -16.668 5.007 6.533 816 H GLU 111 H GLU 111 -14.629 3.671 9.012 817 HA GLU 111 HA GLU 111 -13.229 2.030 7.134 818 HB2 GLU 111 HB3 GLU 111 -13.028 2.308 10.135 819 HB3 GLU 111 HB2 GLU 111 -11.963 1.281 9.177 820 HG2 GLU 111 HG3 GLU 111 -12.322 4.268 8.784 821 HG3 GLU 111 HG2 GLU 111 -10.957 3.510 9.595 822 H GLY 112 H GLY 112 -15.804 1.435 9.438 823 HA2 GLY 112 HA3 GLY 112 -17.249 -0.416 9.394 824 HA3 GLY 112 HA2 GLY 112 -16.087 -1.275 8.394 825 H TYR 113 H TYR 113 -15.675 0.283 11.585 826 HA TYR 113 HA TYR 113 -14.455 -2.181 12.589 827 HB2 TYR 113 HB3 TYR 113 -14.578 0.642 13.631 828 HB3 TYR 113 HB2 TYR 113 -14.050 -0.691 14.656 829 HD1 TYR 113 HD1 TYR 113 -13.115 1.579 11.989 830 HD2 TYR 113 HD2 TYR 113 -12.111 -2.132 13.903 831 HE1 TYR 113 HE1 TYR 113 -10.854 1.664 10.974 832 HE2 TYR 113 HE2 TYR 113 -9.851 -2.045 12.889 833 HH TYR 113 HH TYR 113 -8.327 -0.521 11.925 834 H ASP 114 H ASP 114 -17.507 -1.514 12.240 835 HA ASP 114 HA ASP 114 -19.448 -2.095 13.276 836 HB2 ASP 114 HB3 ASP 114 -18.042 -4.242 13.422 837 HB3 ASP 114 HB2 ASP 114 -17.799 -3.819 15.116 838 H THR 115 H THR 115 -18.563 0.303 14.124 839 HA THR 115 HA THR 115 -19.371 0.332 16.944 840 HB THR 115 HB THR 115 -17.757 2.501 16.917 841 HG1 THR 115 HG1 THR 115 -15.826 1.835 15.833 842 HG21 THR 115 HG21 THR 115 -16.331 -0.080 17.379 843 HG22 THR 115 HG22 THR 115 -17.778 0.237 18.338 844 HG23 THR 115 HG23 THR 115 -16.422 1.358 18.395 845 HA PRO 116 HA PRO 116 -22.296 3.410 15.782 846 HB2 PRO 116 HB3 PRO 116 -22.128 5.237 17.846 847 HB3 PRO 116 HB2 PRO 116 -22.966 3.678 17.957 848 HG2 PRO 116 HG3 PRO 116 -20.233 4.423 18.892 849 HG3 PRO 116 HG2 PRO 116 -21.470 3.430 19.687 850 HD2 PRO 116 HD3 PRO 116 -19.361 2.327 18.417 851 HD3 PRO 116 HD2 PRO 116 -20.955 1.545 18.407 852 H THR 117 H THR 117 -19.018 4.445 16.430 853 HA THR 117 HA THR 117 -19.448 6.998 15.016 854 HB THR 117 HB THR 117 -17.239 7.630 15.848 855 HG1 THR 117 HG1 THR 117 -17.235 5.012 16.930 856 HG21 THR 117 HG21 THR 117 -18.195 6.487 18.366 857 HG22 THR 117 HG22 THR 117 -19.492 7.271 17.459 858 HG23 THR 117 HG23 THR 117 -18.042 8.176 17.890 859 H ASP 118 H ASP 118 -17.839 3.902 14.725 860 HA ASP 118 HA ASP 118 -16.576 2.946 13.058 861 HB2 ASP 118 HB3 ASP 118 -18.144 4.911 11.364 862 HB3 ASP 118 HB2 ASP 118 -17.265 3.509 10.755 863 H LEU 119 H LEU 119 -15.313 5.039 14.498 864 HA LEU 119 HA LEU 119 -13.744 6.470 12.458 865 HB2 LEU 119 HB3 LEU 119 -14.067 6.913 15.426 866 HB3 LEU 119 HB2 LEU 119 -12.872 7.762 14.449 867 HG LEU 119 HG LEU 119 -15.834 7.763 13.797 868 HD11 LEU 119 HD11 LEU 119 -15.273 8.777 16.052 869 HD12 LEU 119 HD12 LEU 119 -15.983 9.906 14.895 870 HD13 LEU 119 HD13 LEU 119 -14.245 9.928 15.198 871 HD21 LEU 119 HD21 LEU 119 -13.425 9.362 12.868 872 HD22 LEU 119 HD22 LEU 119 -15.084 9.876 12.560 873 HD23 LEU 119 HD23 LEU 119 -14.493 8.358 11.886 874 H ARG 120 H ARG 120 -11.549 6.337 12.349 875 HA ARG 120 HA ARG 120 -10.214 4.306 14.023 876 HB2 ARG 120 HB3 ARG 120 -10.745 3.466 11.700 877 HB3 ARG 120 HB2 ARG 120 -9.691 4.731 11.070 878 HG2 ARG 120 HG3 ARG 120 -7.867 3.805 12.581 879 HG3 ARG 120 HG2 ARG 120 -8.929 2.429 12.879 880 HD2 ARG 120 HD3 ARG 120 -7.464 1.811 11.073 881 HD3 ARG 120 HD2 ARG 120 -9.057 2.096 10.380 882 HE ARG 120 HE ARG 120 -7.477 4.478 10.328 883 HH11 ARG 120 HH11 ARG 120 -7.897 1.403 8.697 884 HH12 ARG 120 HH12 ARG 120 -7.267 1.986 7.192 885 HH21 ARG 120 HH21 ARG 120 -6.665 5.190 8.352 886 HH22 ARG 120 HH22 ARG 120 -6.576 4.111 7.002 887 H TYR 121 H TYR 121 -9.584 6.195 15.276 888 HA TYR 121 HA TYR 121 -8.069 8.342 14.236 889 HB2 TYR 121 HB3 TYR 121 -8.099 7.110 17.000 890 HB3 TYR 121 HB2 TYR 121 -7.331 8.642 16.595 891 HD1 TYR 121 HD1 TYR 121 -10.569 6.855 16.768 892 HD2 TYR 121 HD2 TYR 121 -8.627 10.648 16.315 893 HE1 TYR 121 HE1 TYR 121 -12.735 7.989 17.113 894 HE2 TYR 121 HE2 TYR 121 -10.800 11.798 16.644 895 HH TYR 121 HH TYR 121 -12.962 11.381 17.636 896 H CYS 122 H CYS 122 -6.229 8.028 13.126 897 HA CYS 122 HA CYS 122 -4.341 5.936 13.979 898 HB2 CYS 122 HB3 CYS 122 -4.939 5.996 11.575 899 HB3 CYS 122 HB2 CYS 122 -4.377 7.665 11.482 900 HG CYS 122 HG CYS 122 -2.575 5.459 11.019 901 H ILE 123 H ILE 123 -3.568 6.958 15.827 902 HA ILE 123 HA ILE 123 -1.800 9.264 15.302 903 HB ILE 123 HB ILE 123 -3.509 9.130 17.798 904 HG12 ILE 123 HG13 ILE 123 -4.109 10.617 15.197 905 HG13 ILE 123 HG12 ILE 123 -5.029 9.274 15.835 906 HG21 ILE 123 HG21 ILE 123 -1.501 10.489 17.934 907 HG22 ILE 123 HG22 ILE 123 -2.880 11.578 17.795 908 HG23 ILE 123 HG23 ILE 123 -1.869 11.253 16.389 909 HD11 ILE 123 HD11 ILE 123 -6.296 11.111 16.544 910 HD12 ILE 123 HD12 ILE 123 -4.865 12.092 16.878 911 HD13 ILE 123 HD13 ILE 123 -5.301 10.770 17.961 912 H ASN 124 H ASN 124 0.001 9.401 16.656 913 HA ASN 124 HA ASN 124 0.533 7.000 18.307 914 HB2 ASN 124 HB3 ASN 124 2.389 8.657 16.607 915 HB3 ASN 124 HB2 ASN 124 2.978 7.572 17.859 916 HD21 ASN 124 HD21 ASN 124 3.521 7.219 15.028 917 HD22 ASN 124 HD22 ASN 124 2.788 5.764 14.557 918 H SER 125 H SER 125 1.742 7.286 20.215 919 HA SER 125 HA SER 125 1.155 9.804 21.527 920 HB2 SER 125 HB3 SER 125 0.701 7.785 22.765 921 HB3 SER 125 HB2 SER 125 2.348 7.210 22.525 922 HG SER 125 HG SER 125 1.883 8.265 24.591 923 H VAL 126 H VAL 126 2.533 11.301 20.641 924 HA VAL 126 HA VAL 126 5.391 10.888 20.550 925 HB VAL 126 HB VAL 126 4.175 12.345 18.910 926 HG11 VAL 126 HG11 VAL 126 4.161 14.576 20.924 927 HG12 VAL 126 HG12 VAL 126 2.804 13.447 20.903 928 HG13 VAL 126 HG13 VAL 126 3.199 14.374 19.458 929 HG21 VAL 126 HG21 VAL 126 6.442 13.469 20.570 930 HG22 VAL 126 HG22 VAL 126 5.894 14.233 19.081 931 HG23 VAL 126 HG23 VAL 126 6.541 12.594 19.041 932 H CYS 127 H CYS 127 4.805 10.217 23.011 933 HA CYS 127 HA CYS 127 5.457 10.527 25.181 934 HB2 CYS 127 HB3 CYS 127 7.344 11.934 24.157 935 HB3 CYS 127 HB2 CYS 127 6.341 13.341 24.512 936 HG CYS 127 HG CYS 127 6.417 11.928 27.053 937 H LEU 128 H LEU 128 2.982 10.539 24.868 938 HA LEU 128 HA LEU 128 1.678 13.005 25.738 939 HB2 LEU 128 HB3 LEU 128 0.515 11.791 24.035 940 HB3 LEU 128 HB2 LEU 128 0.691 10.266 24.887 941 HG LEU 128 HG LEU 128 -0.812 12.465 26.297 942 HD11 LEU 128 HD11 LEU 128 -2.925 11.638 25.128 943 HD12 LEU 128 HD12 LEU 128 -1.859 10.932 23.913 944 HD13 LEU 128 HD13 LEU 128 -1.864 12.676 24.173 945 HD21 LEU 128 HD21 LEU 128 -0.546 10.369 27.470 946 HD22 LEU 128 HD22 LEU 128 -1.044 9.450 26.060 947 HD23 LEU 128 HD23 LEU 128 -2.219 10.436 26.929 948 H THR 129 H THR 129 0.427 13.073 27.713 949 HA THR 129 HA THR 129 1.754 11.636 29.878 950 HB THR 129 HB THR 129 -0.331 13.836 29.956 951 HG1 THR 129 HG1 THR 129 2.467 13.938 30.371 952 HG21 THR 129 HG21 THR 129 -0.163 12.433 32.038 953 HG22 THR 129 HG22 THR 129 0.312 14.113 32.282 954 HG23 THR 129 HG23 THR 129 1.545 12.862 32.132 955 H LEU 130 H LEU 130 0.938 10.008 31.016 956 HA LEU 130 HA LEU 130 -1.788 9.079 30.396 957 HB2 LEU 130 HB3 LEU 130 -0.136 7.410 29.943 958 HB3 LEU 130 HB2 LEU 130 0.676 7.700 31.464 959 HG LEU 130 HG LEU 130 -0.720 5.549 31.237 960 HD11 LEU 130 HD11 LEU 130 -1.014 5.443 33.515 961 HD12 LEU 130 HD12 LEU 130 -1.607 7.095 33.646 962 HD13 LEU 130 HD13 LEU 130 0.114 6.790 33.395 963 HD21 LEU 130 HD21 LEU 130 -3.157 7.004 32.143 964 HD22 LEU 130 HD22 LEU 130 -3.000 5.558 31.151 965 HD23 LEU 130 HD23 LEU 130 -2.778 7.147 30.424 966 H ILE 131 H ILE 131 -3.331 9.182 31.830 967 HA ILE 131 HA ILE 131 -2.730 10.108 34.563 968 HB ILE 131 HB ILE 131 -5.367 10.032 33.071 969 HG12 ILE 131 HG13 ILE 131 -3.823 11.629 32.010 970 HG13 ILE 131 HG12 ILE 131 -5.108 12.488 32.847 971 HG21 ILE 131 HG21 ILE 131 -5.961 11.734 34.937 972 HG22 ILE 131 HG22 ILE 131 -4.560 11.074 35.783 973 HG23 ILE 131 HG23 ILE 131 -5.912 10.022 35.363 974 HD11 ILE 131 HD11 ILE 131 -2.935 13.569 33.266 975 HD12 ILE 131 HD12 ILE 131 -2.289 12.052 33.892 976 HD13 ILE 131 HD13 ILE 131 -3.575 12.886 34.762 977 HA PRO 132 HA PRO 132 -3.750 5.898 35.844 978 HB2 PRO 132 HB3 PRO 132 -3.622 6.555 38.614 979 HB3 PRO 132 HB2 PRO 132 -2.355 5.810 37.631 980 HG2 PRO 132 HG3 PRO 132 -2.422 8.437 38.705 981 HG3 PRO 132 HG2 PRO 132 -1.164 7.690 37.724 982 HD2 PRO 132 HD3 PRO 132 -3.143 9.679 37.011 983 HD3 PRO 132 HD2 PRO 132 -1.734 9.117 36.090 984 H ALA 133 H ALA 133 -5.888 5.660 35.328 985 HA ALA 133 HA ALA 133 -8.027 7.195 36.283 986 HB1 ALA 133 HB1 ALA 133 -8.455 5.943 34.346 987 HB2 ALA 133 HB2 ALA 133 -9.371 5.088 35.587 988 HB3 ALA 133 HB3 ALA 133 -7.810 4.459 35.052 989 H GLU 134 H GLU 134 -6.824 4.023 37.381 990 HA GLU 134 HA GLU 134 -7.407 4.447 40.105 991 HB2 GLU 134 HB3 GLU 134 -9.771 4.290 39.257 992 HB3 GLU 134 HB2 GLU 134 -9.412 2.657 38.704 993 HG2 GLU 134 HG3 GLU 134 -8.878 1.979 41.009 994 HG3 GLU 134 HG2 GLU 134 -9.193 3.620 41.573 995 H GLU 135 H GLU 135 -7.870 1.640 37.934 996 HA GLU 135 HA GLU 135 -6.959 -0.460 37.959 997 HB2 GLU 135 HB3 GLU 135 -4.498 1.240 38.427 998 HB3 GLU 135 HB2 GLU 135 -4.444 -0.475 38.026 999 HG2 GLU 135 HG3 GLU 135 -5.729 1.686 36.326 1000 HG3 GLU 135 HG2 GLU 135 -4.172 0.931 36.008 1001 H SER 136 H SER 136 -8.240 -0.020 40.246 1002 HA SER 136 HA SER 136 -6.487 -0.832 42.463 1003 HB2 SER 136 HB3 SER 136 -7.946 0.951 43.074 1004 HB3 SER 136 HB2 SER 136 -9.338 0.158 42.342 1005 HG SER 136 HG SER 136 -9.608 -0.570 44.304 Start of MODEL 4 1 H MET 1 H1 MET 1 -5.117 27.083 33.214 2 HA MET 1 HA MET 1 -5.685 26.275 31.185 3 HB2 MET 1 HB3 MET 1 -7.963 24.929 32.658 4 HB3 MET 1 HB2 MET 1 -7.833 24.925 30.899 5 HG2 MET 1 HG3 MET 1 -5.627 23.853 31.046 6 HG3 MET 1 HG2 MET 1 -5.718 23.886 32.808 7 HE1 MET 1 HE1 MET 1 -5.340 21.063 32.789 8 HE2 MET 1 HE2 MET 1 -5.044 21.553 31.123 9 HE3 MET 1 HE3 MET 1 -6.092 20.177 31.457 10 H THR 2 H THR 2 -5.921 28.425 30.603 11 HA THR 2 HA THR 2 -8.696 29.454 30.594 12 HB THR 2 HB THR 2 -7.727 31.746 30.806 13 HG1 THR 2 HG1 THR 2 -5.523 31.716 31.668 14 HG21 THR 2 HG21 THR 2 -8.601 30.502 32.772 15 HG22 THR 2 HG22 THR 2 -7.282 31.589 33.206 16 HG23 THR 2 HG23 THR 2 -6.985 29.857 33.057 17 H ASN 3 H ASN 3 -5.528 30.297 29.147 18 HA ASN 3 HA ASN 3 -6.577 29.851 26.465 19 HB2 ASN 3 HB3 ASN 3 -7.264 32.178 27.026 20 HB3 ASN 3 HB2 ASN 3 -5.574 32.582 27.301 21 HD21 ASN 3 HD21 ASN 3 -6.564 34.139 25.408 22 HD22 ASN 3 HD22 ASN 3 -6.179 33.620 23.840 23 H PHE 4 H PHE 4 -5.018 28.573 25.677 24 HA PHE 4 HA PHE 4 -2.248 28.843 26.487 25 HB2 PHE 4 HB3 PHE 4 -3.613 27.041 24.478 26 HB3 PHE 4 HB2 PHE 4 -1.899 26.956 24.883 27 HD1 PHE 4 HD1 PHE 4 -5.330 26.416 26.109 28 HD2 PHE 4 HD2 PHE 4 -1.153 26.153 27.067 29 HE1 PHE 4 HE1 PHE 4 -5.873 25.030 28.093 30 HE2 PHE 4 HE2 PHE 4 -1.694 24.771 29.053 31 HZ PHE 4 HZ PHE 4 -4.054 24.209 29.566 32 H LYS 5 H LYS 5 -4.186 30.287 24.103 33 HA LYS 5 HA LYS 5 -2.418 30.497 21.912 34 HB2 LYS 5 HB3 LYS 5 -4.593 32.428 22.783 35 HB3 LYS 5 HB2 LYS 5 -3.869 32.333 21.179 36 HG2 LYS 5 HG3 LYS 5 -5.328 30.022 22.491 37 HG3 LYS 5 HG2 LYS 5 -6.093 31.148 21.375 38 HD2 LYS 5 HD3 LYS 5 -4.659 30.453 19.566 39 HD3 LYS 5 HD2 LYS 5 -3.643 29.509 20.654 40 HE2 LYS 5 HE3 LYS 5 -5.536 28.055 21.189 41 HE3 LYS 5 HE2 LYS 5 -6.566 28.980 20.093 42 HZ1 LYS 5 HZ1 LYS 5 -4.804 28.441 18.351 43 HZ2 LYS 5 HZ2 LYS 5 -5.843 27.183 18.825 44 HZ3 LYS 5 HZ3 LYS 5 -4.259 27.255 19.434 45 H LEU 6 H LEU 6 -2.880 32.439 24.805 46 HA LEU 6 HA LEU 6 -1.255 34.639 24.011 47 HB2 LEU 6 HB3 LEU 6 -2.051 33.743 26.793 48 HB3 LEU 6 HB2 LEU 6 -1.410 35.324 26.363 49 HG LEU 6 HG LEU 6 -4.016 34.147 25.333 50 HD11 LEU 6 HD11 LEU 6 -3.922 34.824 27.776 51 HD12 LEU 6 HD12 LEU 6 -5.129 35.671 26.809 52 HD13 LEU 6 HD13 LEU 6 -3.615 36.471 27.229 53 HD21 LEU 6 HD21 LEU 6 -2.590 36.766 24.815 54 HD22 LEU 6 HD22 LEU 6 -4.342 36.636 24.640 55 HD23 LEU 6 HD23 LEU 6 -3.281 35.636 23.647 56 H ILE 7 H ILE 7 -0.446 31.489 25.074 57 HA ILE 7 HA ILE 7 1.899 31.944 26.552 58 HB ILE 7 HB ILE 7 1.183 29.621 24.736 59 HG12 ILE 7 HG13 ILE 7 0.965 29.884 27.752 60 HG13 ILE 7 HG12 ILE 7 -0.381 30.172 26.651 61 HG21 ILE 7 HG21 ILE 7 2.851 28.353 26.052 62 HG22 ILE 7 HG22 ILE 7 3.257 29.809 26.958 63 HG23 ILE 7 HG23 ILE 7 3.617 29.714 25.238 64 HD11 ILE 7 HD11 ILE 7 1.200 27.597 26.743 65 HD12 ILE 7 HD12 ILE 7 -0.281 27.898 25.834 66 HD13 ILE 7 HD13 ILE 7 -0.324 27.840 27.597 67 H THR 8 H THR 8 3.995 32.194 26.013 68 HA THR 8 HA THR 8 4.583 33.292 23.397 69 HB THR 8 HB THR 8 6.773 33.821 24.396 70 HG1 THR 8 HG1 THR 8 7.151 33.260 26.529 71 HG21 THR 8 HG21 THR 8 4.610 34.536 26.374 72 HG22 THR 8 HG22 THR 8 4.680 35.249 24.763 73 HG23 THR 8 HG23 THR 8 6.007 35.499 25.897 74 H ASP 9 H ASP 9 6.616 32.620 22.287 75 HA ASP 9 HA ASP 9 6.525 29.888 21.637 76 HB2 ASP 9 HB3 ASP 9 8.600 32.013 21.099 77 HB3 ASP 9 HB2 ASP 9 8.727 30.378 20.462 78 H THR 10 H THR 10 8.691 31.711 23.778 79 HA THR 10 HA THR 10 10.511 29.613 24.319 80 HB THR 10 HB THR 10 9.716 31.947 26.091 81 HG1 THR 10 HG1 THR 10 11.012 33.078 24.884 82 HG21 THR 10 HG21 THR 10 11.788 31.581 27.261 83 HG22 THR 10 HG22 THR 10 12.298 30.358 26.099 84 HG23 THR 10 HG23 THR 10 10.966 30.019 27.206 85 H GLU 11 H GLU 11 7.543 30.671 25.978 86 HA GLU 11 HA GLU 11 7.640 28.852 28.109 87 HB2 GLU 11 HB3 GLU 11 5.308 30.182 26.736 88 HB3 GLU 11 HB2 GLU 11 5.141 29.198 28.187 89 HG2 GLU 11 HG3 GLU 11 6.601 30.664 29.430 90 HG3 GLU 11 HG2 GLU 11 7.011 31.569 27.984 91 H TRP 12 H TRP 12 6.351 28.519 24.826 92 HA TRP 12 HA TRP 12 5.108 26.001 25.210 93 HB2 TRP 12 HB3 TRP 12 6.082 27.555 22.841 94 HB3 TRP 12 HB2 TRP 12 5.686 25.855 22.621 95 HD1 TRP 12 HD1 TRP 12 4.116 29.154 22.540 96 HE1 TRP 12 HE1 TRP 12 1.543 28.932 22.619 97 HE3 TRP 12 HE3 TRP 12 3.703 24.298 24.045 98 HZ2 TRP 12 HZ2 TRP 12 -0.427 26.937 23.232 99 HZ3 TRP 12 HZ3 TRP 12 1.484 23.258 24.359 100 HH2 TRP 12 HH2 TRP 12 -0.582 24.561 23.952 101 H ARG 13 H ARG 13 8.412 26.907 24.269 102 HA ARG 13 HA ARG 13 9.336 24.311 23.642 103 HB2 ARG 13 HB3 ARG 13 10.782 26.798 24.563 104 HB3 ARG 13 HB2 ARG 13 11.611 25.322 24.065 105 HG2 ARG 13 HG3 ARG 13 10.501 25.431 21.864 106 HG3 ARG 13 HG2 ARG 13 9.668 26.905 22.357 107 HD2 ARG 13 HD3 ARG 13 11.833 28.037 22.661 108 HD3 ARG 13 HD2 ARG 13 12.675 26.564 22.187 109 HE ARG 13 HE ARG 13 10.854 27.258 20.145 110 HH11 ARG 13 HH11 ARG 13 13.835 28.438 21.565 111 HH12 ARG 13 HH12 ARG 13 14.365 29.196 20.101 112 HH21 ARG 13 HH21 ARG 13 11.587 28.253 18.264 113 HH22 ARG 13 HH22 ARG 13 13.103 29.092 18.250 114 H GLN 14 H GLN 14 9.364 26.159 26.658 115 HA GLN 14 HA GLN 14 10.676 24.011 28.107 116 HB2 GLN 14 HB3 GLN 14 10.262 25.545 30.118 117 HB3 GLN 14 HB2 GLN 14 11.342 26.136 28.862 118 HG2 GLN 14 HG3 GLN 14 9.994 27.865 28.330 119 HG3 GLN 14 HG2 GLN 14 8.539 26.900 28.414 120 HE21 GLN 14 HE21 GLN 14 8.799 29.584 29.479 121 HE22 GLN 14 HE22 GLN 14 8.570 29.482 31.155 122 H ARG 15 H ARG 15 7.441 25.002 27.451 123 HA ARG 15 HA ARG 15 6.082 23.833 29.655 124 HB2 ARG 15 HB3 ARG 15 5.366 24.800 26.926 125 HB3 ARG 15 HB2 ARG 15 4.220 23.713 27.708 126 HG2 ARG 15 HG3 ARG 15 3.894 25.192 29.527 127 HG3 ARG 15 HG2 ARG 15 5.310 26.159 29.119 128 HD2 ARG 15 HD3 ARG 15 4.231 26.929 27.082 129 HD3 ARG 15 HD2 ARG 15 2.847 25.883 27.377 130 HE ARG 15 HE ARG 15 3.446 28.413 28.701 131 HH11 ARG 15 HH11 ARG 15 1.562 25.457 28.782 132 HH12 ARG 15 HH12 ARG 15 0.353 26.123 29.827 133 HH21 ARG 15 HH21 ARG 15 1.856 29.230 30.069 134 HH22 ARG 15 HH22 ARG 15 0.519 28.240 30.549 135 H LEU 16 H LEU 16 6.995 22.611 26.473 136 HA LEU 16 HA LEU 16 6.447 19.871 27.398 137 HB2 LEU 16 HB3 LEU 16 5.543 19.493 24.963 138 HB3 LEU 16 HB2 LEU 16 4.480 20.146 26.200 139 HG LEU 16 HG LEU 16 5.051 22.467 25.348 140 HD11 LEU 16 HD11 LEU 16 6.005 22.597 23.059 141 HD12 LEU 16 HD12 LEU 16 6.338 20.865 23.121 142 HD13 LEU 16 HD13 LEU 16 7.160 21.963 24.231 143 HD21 LEU 16 HD21 LEU 16 3.912 20.719 23.179 144 HD22 LEU 16 HD22 LEU 16 3.483 22.375 23.567 145 HD23 LEU 16 HD23 LEU 16 3.029 21.069 24.657 146 H SER 17 H SER 17 7.128 18.281 25.566 147 HA SER 17 HA SER 17 9.926 18.394 25.328 148 HB2 SER 17 HB3 SER 17 7.845 16.727 23.911 149 HB3 SER 17 HB2 SER 17 9.574 16.480 23.699 150 HG SER 17 HG SER 17 9.729 15.782 25.730 151 H SER 18 H SER 18 11.243 18.535 23.446 152 HA SER 18 HA SER 18 10.709 20.739 21.788 153 HB2 SER 18 HB3 SER 18 12.995 19.943 22.225 154 HB3 SER 18 HB2 SER 18 12.648 18.456 21.345 155 HG SER 18 HG SER 18 13.556 20.677 20.353 156 H GLU 19 H GLU 19 10.389 17.265 21.265 157 HA GLU 19 HA GLU 19 9.581 17.385 18.568 158 HB2 GLU 19 HB3 GLU 19 8.542 15.111 19.086 159 HB3 GLU 19 HB2 GLU 19 10.270 15.257 19.363 160 HG2 GLU 19 HG3 GLU 19 8.499 15.864 21.687 161 HG3 GLU 19 HG2 GLU 19 8.570 14.188 21.174 162 H GLU 20 H GLU 20 7.709 17.463 21.597 163 HA GLU 20 HA GLU 20 5.142 17.468 20.464 164 HB2 GLU 20 HB3 GLU 20 6.341 18.239 23.085 165 HB3 GLU 20 HB2 GLU 20 4.744 18.884 22.723 166 HG2 GLU 20 HG3 GLU 20 5.332 15.947 22.369 167 HG3 GLU 20 HG2 GLU 20 4.884 16.600 23.945 168 H TYR 21 H TYR 21 7.456 20.060 21.077 169 HA TYR 21 HA TYR 21 5.769 22.270 20.699 170 HB2 TYR 21 HB3 TYR 21 8.070 22.393 21.610 171 HB3 TYR 21 HB2 TYR 21 8.720 21.968 20.033 172 HD1 TYR 21 HD1 TYR 21 7.336 24.636 22.104 173 HD2 TYR 21 HD2 TYR 21 8.451 23.533 18.103 174 HE1 TYR 21 HE1 TYR 21 7.301 27.023 21.431 175 HE2 TYR 21 HE2 TYR 21 8.420 25.920 17.435 176 HH TYR 21 HH TYR 21 8.624 28.124 18.491 177 H ARG 22 H ARG 22 7.874 20.599 18.288 178 HA ARG 22 HA ARG 22 6.876 22.185 16.110 179 HB2 ARG 22 HB3 ARG 22 8.286 20.866 14.687 180 HB3 ARG 22 HB2 ARG 22 9.171 21.177 16.174 181 HG2 ARG 22 HG3 ARG 22 8.554 18.917 17.003 182 HG3 ARG 22 HG2 ARG 22 7.691 18.614 15.492 183 HD2 ARG 22 HD3 ARG 22 10.633 19.316 15.637 184 HD3 ARG 22 HD2 ARG 22 10.019 17.669 15.528 185 HE ARG 22 HE ARG 22 8.842 19.084 13.440 186 HH11 ARG 22 HH11 ARG 22 12.095 18.220 14.420 187 HH12 ARG 22 HH12 ARG 22 12.699 18.194 12.797 188 HH21 ARG 22 HH21 ARG 22 9.666 19.032 11.350 189 HH22 ARG 22 HH22 ARG 22 11.332 18.649 11.073 190 H VAL 23 H VAL 23 6.227 18.955 17.328 191 HA VAL 23 HA VAL 23 4.601 18.014 15.240 192 HB VAL 23 HB VAL 23 4.773 17.349 18.187 193 HG11 VAL 23 HG11 VAL 23 3.595 15.183 17.458 194 HG12 VAL 23 HG12 VAL 23 3.083 16.078 16.026 195 HG13 VAL 23 HG13 VAL 23 2.581 16.615 17.628 196 HG21 VAL 23 HG21 VAL 23 6.101 15.502 17.455 197 HG22 VAL 23 HG22 VAL 23 6.691 16.894 16.547 198 HG23 VAL 23 HG23 VAL 23 5.621 15.731 15.774 199 H LEU 24 H LEU 24 3.751 19.685 18.253 200 HA LEU 24 HA LEU 24 0.957 19.787 17.686 201 HB2 LEU 24 HB3 LEU 24 2.713 21.253 19.663 202 HB3 LEU 24 HB2 LEU 24 0.964 21.482 19.587 203 HG LEU 24 HG LEU 24 2.265 18.755 19.897 204 HD11 LEU 24 HD11 LEU 24 2.867 19.561 21.944 205 HD12 LEU 24 HD12 LEU 24 1.198 19.188 22.350 206 HD13 LEU 24 HD13 LEU 24 1.659 20.843 21.948 207 HD21 LEU 24 HD21 LEU 24 -0.559 19.824 20.069 208 HD22 LEU 24 HD22 LEU 24 -0.112 18.312 20.865 209 HD23 LEU 24 HD23 LEU 24 0.059 18.472 19.119 210 H ARG 25 H ARG 25 3.677 21.972 17.135 211 HA ARG 25 HA ARG 25 2.213 24.271 16.486 212 HB2 ARG 25 HB3 ARG 25 4.596 24.332 17.014 213 HB3 ARG 25 HB2 ARG 25 4.962 23.397 15.570 214 HG2 ARG 25 HG3 ARG 25 5.436 25.696 15.051 215 HG3 ARG 25 HG2 ARG 25 3.943 25.292 14.210 216 HD2 ARG 25 HD3 ARG 25 3.652 27.449 15.262 217 HD3 ARG 25 HD2 ARG 25 2.670 26.283 16.141 218 HE ARG 25 HE ARG 25 5.217 26.441 17.358 219 HH11 ARG 25 HH11 ARG 25 2.323 28.376 16.945 220 HH12 ARG 25 HH12 ARG 25 2.562 29.255 18.418 221 HH21 ARG 25 HH21 ARG 25 5.494 27.612 19.257 222 HH22 ARG 25 HH22 ARG 25 4.344 28.823 19.716 223 H GLU 26 H GLU 26 3.608 21.810 14.276 224 HA GLU 26 HA GLU 26 1.616 22.654 12.267 225 HB2 GLU 26 HB3 GLU 26 3.364 22.560 10.518 226 HB3 GLU 26 HB2 GLU 26 3.661 23.817 11.715 227 HG2 GLU 26 HG3 GLU 26 5.194 22.238 12.921 228 HG3 GLU 26 HG2 GLU 26 4.973 21.082 11.611 229 H ALA 27 H ALA 27 2.010 20.127 14.012 230 HA ALA 27 HA ALA 27 1.693 17.840 13.730 231 HB1 ALA 27 HB1 ALA 27 1.024 18.020 10.850 232 HB2 ALA 27 HB2 ALA 27 0.030 19.016 11.904 233 HB3 ALA 27 HB3 ALA 27 0.127 17.278 12.171 234 H GLY 28 H GLY 28 4.255 18.719 13.556 235 HA2 GLY 28 HA3 GLY 28 5.740 18.142 11.275 236 HA3 GLY 28 HA2 GLY 28 6.363 18.115 12.912 237 H THR 29 H THR 29 4.869 15.950 13.978 238 HA THR 29 HA THR 29 4.933 13.628 12.350 239 HB THR 29 HB THR 29 7.367 14.030 12.343 240 HG1 THR 29 HG1 THR 29 6.623 11.898 12.352 241 HG21 THR 29 HG21 THR 29 7.307 13.581 15.334 242 HG22 THR 29 HG22 THR 29 7.358 15.190 14.612 243 HG23 THR 29 HG23 THR 29 8.683 14.059 14.337 244 H GLU 30 H GLU 30 5.341 11.587 13.987 245 HA GLU 30 HA GLU 30 4.201 12.090 16.616 246 HB2 GLU 30 HB3 GLU 30 2.360 10.422 16.260 247 HB3 GLU 30 HB2 GLU 30 2.161 11.902 15.328 248 HG2 GLU 30 HG3 GLU 30 3.172 10.739 13.352 249 HG3 GLU 30 HG2 GLU 30 3.212 9.249 14.289 250 H ALA 31 H ALA 31 6.610 11.380 16.609 251 HA ALA 31 HA ALA 31 6.902 8.458 16.484 252 HB1 ALA 31 HB1 ALA 31 9.067 10.475 17.066 253 HB2 ALA 31 HB2 ALA 31 8.583 10.046 15.425 254 HB3 ALA 31 HB3 ALA 31 9.244 8.814 16.500 255 HA PRO 32 HA PRO 32 6.462 8.555 21.017 256 HB2 PRO 32 HB3 PRO 32 6.248 5.887 21.386 257 HB3 PRO 32 HB2 PRO 32 4.917 6.850 20.710 258 HG2 PRO 32 HG3 PRO 32 6.952 5.202 19.263 259 HG3 PRO 32 HG2 PRO 32 5.197 5.243 19.050 260 HD2 PRO 32 HD3 PRO 32 6.866 6.589 17.431 261 HD3 PRO 32 HD2 PRO 32 5.250 7.202 17.851 262 H HIS 33 H HIS 33 7.547 6.905 22.743 263 HA HIS 33 HA HIS 33 9.461 6.289 23.829 264 HB2 HIS 33 HB3 HIS 33 10.335 5.626 21.011 265 HB3 HIS 33 HB2 HIS 33 11.234 5.176 22.459 266 HD1 HIS 33 HD1 HIS 33 10.190 3.365 24.009 267 HD2 HIS 33 HD2 HIS 33 7.922 4.181 20.613 268 HE1 HIS 33 HE1 HIS 33 8.451 1.529 23.851 269 HE2 HIS 33 HE2 HIS 33 7.064 2.007 21.780 270 H THR 34 H THR 34 9.127 9.044 23.175 271 HA THR 34 HA THR 34 11.939 9.921 22.838 272 HB THR 34 HB THR 34 11.023 12.105 22.163 273 HG1 THR 34 HG1 THR 34 8.527 10.773 22.163 274 HG21 THR 34 HG21 THR 34 9.730 9.959 20.488 275 HG22 THR 34 HG22 THR 34 11.479 10.188 20.528 276 HG23 THR 34 HG23 THR 34 10.432 11.489 19.957 277 H GLY 35 H GLY 35 10.023 9.192 25.294 278 HA2 GLY 35 HA3 GLY 35 10.999 11.409 26.964 279 HA3 GLY 35 HA2 GLY 35 9.310 10.927 27.062 280 H GLU 36 H GLU 36 12.327 10.494 28.339 281 HA GLU 36 HA GLU 36 12.261 7.739 29.073 282 HB2 GLU 36 HB3 GLU 36 14.200 8.274 30.395 283 HB3 GLU 36 HB2 GLU 36 14.275 9.156 28.872 284 HG2 GLU 36 HG3 GLU 36 13.372 11.175 30.009 285 HG3 GLU 36 HG2 GLU 36 13.399 10.293 31.534 286 H TYR 37 H TYR 37 10.792 10.564 30.353 287 HA TYR 37 HA TYR 37 10.302 9.382 32.986 288 HB2 TYR 37 HB3 TYR 37 9.588 12.085 31.836 289 HB3 TYR 37 HB2 TYR 37 9.214 11.569 33.480 290 HD1 TYR 37 HD1 TYR 37 11.822 12.715 31.200 291 HD2 TYR 37 HD2 TYR 37 11.053 11.049 35.083 292 HE1 TYR 37 HE1 TYR 37 14.107 13.349 31.924 293 HE2 TYR 37 HE2 TYR 37 13.338 11.683 35.808 294 HH TYR 37 HH TYR 37 15.766 12.514 33.703 295 H THR 38 H THR 38 8.918 8.700 30.186 296 HA THR 38 HA THR 38 6.145 9.239 30.611 297 HB THR 38 HB THR 38 5.789 7.588 28.814 298 HG1 THR 38 HG1 THR 38 7.763 6.664 27.930 299 HG21 THR 38 HG21 THR 38 7.417 8.654 27.111 300 HG22 THR 38 HG22 THR 38 7.987 9.624 28.469 301 HG23 THR 38 HG23 THR 38 6.303 9.728 27.957 302 H ASN 39 H ASN 39 4.496 7.656 31.127 303 HA ASN 39 HA ASN 39 5.441 5.343 32.701 304 HB2 ASN 39 HB3 ASN 39 3.338 7.337 33.573 305 HB3 ASN 39 HB2 ASN 39 3.746 5.846 34.422 306 HD21 ASN 39 HD21 ASN 39 4.163 8.911 35.025 307 HD22 ASN 39 HD22 ASN 39 5.783 8.969 35.526 308 H THR 40 H THR 40 4.424 3.515 32.247 309 HA THR 40 HA THR 40 1.785 3.625 30.904 310 HB THR 40 HB THR 40 2.491 1.642 29.587 311 HG1 THR 40 HG1 THR 40 4.152 0.677 30.431 312 HG21 THR 40 HG21 THR 40 2.750 4.033 28.776 313 HG22 THR 40 HG22 THR 40 3.816 2.862 28.000 314 HG23 THR 40 HG23 THR 40 4.444 3.929 29.256 315 H THR 41 H THR 41 2.868 3.011 33.774 316 HA THR 41 HA THR 41 2.319 0.264 34.284 317 HB THR 41 HB THR 41 2.309 0.943 36.663 318 HG1 THR 41 HG1 THR 41 1.304 2.976 36.319 319 HG21 THR 41 HG21 THR 41 4.518 2.352 35.151 320 HG22 THR 41 HG22 THR 41 4.435 0.598 35.319 321 HG23 THR 41 HG23 THR 41 4.610 1.615 36.750 322 H THR 42 H THR 42 0.277 3.113 34.126 323 HA THR 42 HA THR 42 -2.046 1.424 34.861 324 HB THR 42 HB THR 42 -1.831 4.395 35.397 325 HG1 THR 42 HG1 THR 42 -1.265 3.856 37.438 326 HG21 THR 42 HG21 THR 42 -4.113 3.520 35.181 327 HG22 THR 42 HG22 THR 42 -3.773 3.912 36.868 328 HG23 THR 42 HG23 THR 42 -3.743 2.233 36.330 329 H GLU 43 H GLU 43 -3.859 1.607 33.632 330 HA GLU 43 HA GLU 43 -3.684 3.296 31.212 331 HB2 GLU 43 HB3 GLU 43 -4.911 0.555 31.615 332 HB3 GLU 43 HB2 GLU 43 -5.187 1.546 30.183 333 HG2 GLU 43 HG3 GLU 43 -2.816 1.553 29.659 334 HG3 GLU 43 HG2 GLU 43 -2.439 0.734 31.170 335 H GLY 44 H GLY 44 -4.797 5.039 31.963 336 HA2 GLY 44 HA3 GLY 44 -7.589 4.573 32.840 337 HA3 GLY 44 HA2 GLY 44 -6.568 5.833 33.510 338 H ILE 45 H ILE 45 -6.055 7.651 32.272 339 HA ILE 45 HA ILE 45 -7.720 8.038 29.859 340 HB ILE 45 HB ILE 45 -7.375 9.949 32.188 341 HG12 ILE 45 HG13 ILE 45 -9.988 8.779 31.205 342 HG13 ILE 45 HG12 ILE 45 -8.986 7.859 32.320 343 HG21 ILE 45 HG21 ILE 45 -8.753 11.496 30.997 344 HG22 ILE 45 HG22 ILE 45 -9.174 10.297 29.775 345 HG23 ILE 45 HG23 ILE 45 -7.541 10.967 29.827 346 HD11 ILE 45 HD11 ILE 45 -8.941 9.920 33.796 347 HD12 ILE 45 HD12 ILE 45 -10.489 9.084 33.680 348 HD13 ILE 45 HD13 ILE 45 -10.221 10.571 32.768 349 H TYR 46 H TYR 46 -6.772 9.015 28.204 350 HA TYR 46 HA TYR 46 -3.954 9.546 28.246 351 HB2 TYR 46 HB3 TYR 46 -6.098 9.998 26.164 352 HB3 TYR 46 HB2 TYR 46 -4.393 10.318 25.879 353 HD1 TYR 46 HD1 TYR 46 -6.966 7.778 26.094 354 HD2 TYR 46 HD2 TYR 46 -2.733 8.448 26.057 355 HE1 TYR 46 HE1 TYR 46 -6.594 5.380 25.563 356 HE2 TYR 46 HE2 TYR 46 -2.351 6.055 25.523 357 HH TYR 46 HH TYR 46 -3.833 3.817 25.977 358 H SER 47 H SER 47 -2.921 11.554 28.305 359 HA SER 47 HA SER 47 -4.648 13.917 28.357 360 HB2 SER 47 HB3 SER 47 -3.439 14.823 30.311 361 HB3 SER 47 HB2 SER 47 -4.348 13.363 30.682 362 HG SER 47 HG SER 47 -2.193 13.345 31.506 363 H CYS 48 H CYS 48 -3.979 15.482 27.125 364 HA CYS 48 HA CYS 48 -1.803 15.466 25.421 365 HB2 CYS 48 HB3 CYS 48 -3.926 17.185 25.931 366 HB3 CYS 48 HB2 CYS 48 -2.542 18.177 26.321 367 H ARG 49 H ARG 49 0.315 15.784 25.689 368 HA ARG 49 HA ARG 49 1.505 16.159 28.231 369 HB2 ARG 49 HB3 ARG 49 2.640 15.072 26.286 370 HB3 ARG 49 HB2 ARG 49 2.736 16.643 25.500 371 HG2 ARG 49 HG3 ARG 49 4.861 16.282 26.559 372 HG3 ARG 49 HG2 ARG 49 4.007 17.470 27.542 373 HD2 ARG 49 HD3 ARG 49 3.349 15.742 29.134 374 HD3 ARG 49 HD2 ARG 49 4.065 14.492 28.120 375 HE ARG 49 HE ARG 49 6.087 16.335 28.679 376 HH11 ARG 49 HH11 ARG 49 4.046 14.119 30.474 377 HH12 ARG 49 HH12 ARG 49 5.217 13.876 31.727 378 HH21 ARG 49 HH21 ARG 49 7.577 15.990 30.329 379 HH22 ARG 49 HH22 ARG 49 7.199 14.927 31.644 380 H ALA 50 H ALA 50 0.659 18.323 25.611 381 HA ALA 50 HA ALA 50 2.001 20.657 26.426 382 HB1 ALA 50 HB1 ALA 50 1.112 20.375 24.186 383 HB2 ALA 50 HB2 ALA 50 0.373 21.790 24.937 384 HB3 ALA 50 HB3 ALA 50 -0.535 20.278 24.832 385 H CYS 51 H CYS 51 -1.402 19.703 26.955 386 HA CYS 51 HA CYS 51 -1.595 21.837 29.002 387 HB2 CYS 51 HB3 CYS 51 -4.167 21.540 28.379 388 HB3 CYS 51 HB2 CYS 51 -3.108 22.607 27.466 389 H GLY 52 H GLY 52 -2.568 18.544 28.191 390 HA2 GLY 52 HA3 GLY 52 -2.586 16.804 29.837 391 HA3 GLY 52 HA2 GLY 52 -2.961 18.010 31.062 392 H THR 53 H THR 53 -4.669 18.231 28.063 393 HA THR 53 HA THR 53 -7.227 17.882 29.332 394 HB THR 53 HB THR 53 -7.562 17.608 26.520 395 HG1 THR 53 HG1 THR 53 -5.582 19.494 27.175 396 HG21 THR 53 HG21 THR 53 -7.529 20.209 28.047 397 HG22 THR 53 HG22 THR 53 -8.835 19.031 28.193 398 HG23 THR 53 HG23 THR 53 -8.507 19.792 26.638 399 H GLU 54 H GLU 54 -8.751 16.171 29.128 400 HA GLU 54 HA GLU 54 -7.577 13.572 28.815 401 HB2 GLU 54 HB3 GLU 54 -10.477 14.342 29.206 402 HB3 GLU 54 HB2 GLU 54 -9.814 12.723 29.380 403 HG2 GLU 54 HG3 GLU 54 -8.255 13.784 31.151 404 HG3 GLU 54 HG2 GLU 54 -9.380 15.133 31.086 405 H LEU 55 H LEU 55 -6.872 14.136 26.592 406 HA LEU 55 HA LEU 55 -8.513 14.543 24.383 407 HB2 LEU 55 HB3 LEU 55 -5.808 13.384 24.885 408 HB3 LEU 55 HB2 LEU 55 -6.527 13.060 23.320 409 HG LEU 55 HG LEU 55 -6.631 15.393 22.773 410 HD11 LEU 55 HD11 LEU 55 -5.763 15.988 25.611 411 HD12 LEU 55 HD12 LEU 55 -7.371 16.284 24.955 412 HD13 LEU 55 HD13 LEU 55 -5.989 17.177 24.339 413 HD21 LEU 55 HD21 LEU 55 -4.030 15.098 24.269 414 HD22 LEU 55 HD22 LEU 55 -4.336 16.000 22.784 415 HD23 LEU 55 HD23 LEU 55 -4.363 14.236 22.764 416 H PHE 56 H PHE 56 -7.532 11.490 25.901 417 HA PHE 56 HA PHE 56 -9.776 10.127 24.600 418 HB2 PHE 56 HB3 PHE 56 -6.885 9.274 24.403 419 HB3 PHE 56 HB2 PHE 56 -8.231 8.193 24.065 420 HD1 PHE 56 HD1 PHE 56 -6.293 11.070 22.904 421 HD2 PHE 56 HD2 PHE 56 -9.764 8.652 22.167 422 HE1 PHE 56 HE1 PHE 56 -6.464 12.014 20.618 423 HE2 PHE 56 HE2 PHE 56 -9.937 9.595 19.880 424 HZ PHE 56 HZ PHE 56 -8.286 11.277 19.105 425 H ARG 57 H ARG 57 -10.162 7.937 25.538 426 HA ARG 57 HA ARG 57 -9.237 7.754 28.336 427 HB2 ARG 57 HB3 ARG 57 -11.480 6.848 28.929 428 HB3 ARG 57 HB2 ARG 57 -11.533 8.523 28.397 429 HG2 ARG 57 HG3 ARG 57 -12.220 7.777 26.136 430 HG3 ARG 57 HG2 ARG 57 -12.192 6.102 26.691 431 HD2 ARG 57 HD3 ARG 57 -14.473 6.807 26.838 432 HD3 ARG 57 HD2 ARG 57 -13.859 6.788 28.483 433 HE ARG 57 HE ARG 57 -13.521 9.375 27.421 434 HH11 ARG 57 HH11 ARG 57 -16.037 7.200 28.537 435 HH12 ARG 57 HH12 ARG 57 -17.120 8.481 28.966 436 HH21 ARG 57 HH21 ARG 57 -15.011 11.014 27.937 437 HH22 ARG 57 HH22 ARG 57 -16.542 10.613 28.631 438 H SER 58 H SER 58 -9.164 5.617 29.208 439 HA SER 58 HA SER 58 -7.971 3.749 27.449 440 HB2 SER 58 HB3 SER 58 -7.753 2.337 29.434 441 HB3 SER 58 HB2 SER 58 -7.284 3.996 29.784 442 HG SER 58 HG SER 58 -8.654 3.551 31.389 443 H THR 59 H THR 59 -11.281 4.231 28.140 444 HA THR 59 HA THR 59 -11.955 1.398 27.795 445 HB THR 59 HB THR 59 -13.276 2.700 29.389 446 HG1 THR 59 HG1 THR 59 -14.834 2.117 27.100 447 HG21 THR 59 HG21 THR 59 -13.097 4.885 28.313 448 HG22 THR 59 HG22 THR 59 -14.795 4.469 28.554 449 HG23 THR 59 HG23 THR 59 -14.065 4.320 26.952 450 H GLU 60 H GLU 60 -11.803 4.309 25.881 451 HA GLU 60 HA GLU 60 -13.169 2.964 23.649 452 HB2 GLU 60 HB3 GLU 60 -12.966 5.743 24.553 453 HB3 GLU 60 HB2 GLU 60 -12.593 5.586 22.843 454 HG2 GLU 60 HG3 GLU 60 -14.922 5.883 22.822 455 HG3 GLU 60 HG2 GLU 60 -14.765 4.129 22.752 456 H LYS 61 H LYS 61 -10.206 2.650 24.634 457 HA LYS 61 HA LYS 61 -8.893 3.408 22.100 458 HB2 LYS 61 HB3 LYS 61 -6.767 2.950 23.209 459 HB3 LYS 61 HB2 LYS 61 -7.726 4.067 24.176 460 HG2 LYS 61 HG3 LYS 61 -8.438 2.226 25.632 461 HG3 LYS 61 HG2 LYS 61 -7.537 1.074 24.648 462 HD2 LYS 61 HD3 LYS 61 -5.442 2.269 25.172 463 HD3 LYS 61 HD2 LYS 61 -6.343 3.406 26.177 464 HE2 LYS 61 HE3 LYS 61 -7.070 1.553 27.628 465 HE3 LYS 61 HE2 LYS 61 -6.186 0.410 26.621 466 HZ1 LYS 61 HZ1 LYS 61 -5.099 2.566 28.326 467 HZ2 LYS 61 HZ2 LYS 61 -4.176 1.842 27.097 468 HZ3 LYS 61 HZ3 LYS 61 -4.761 0.905 28.388 469 H PHE 62 H PHE 62 -7.466 1.835 21.046 470 HA PHE 62 HA PHE 62 -8.561 -0.911 21.221 471 HB2 PHE 62 HB3 PHE 62 -8.890 0.285 19.045 472 HB3 PHE 62 HB2 PHE 62 -7.140 0.392 18.883 473 HD1 PHE 62 HD1 PHE 62 -9.995 -1.977 19.123 474 HD2 PHE 62 HD2 PHE 62 -5.835 -1.485 18.171 475 HE1 PHE 62 HE1 PHE 62 -9.942 -4.265 18.168 476 HE2 PHE 62 HE2 PHE 62 -5.783 -3.773 17.215 477 HZ PHE 62 HZ PHE 62 -7.836 -5.162 17.214 478 H ASN 63 H ASN 63 -7.233 -2.551 21.723 479 HA ASN 63 HA ASN 63 -4.545 -1.975 22.601 480 HB2 ASN 63 HB3 ASN 63 -6.083 -3.550 23.785 481 HB3 ASN 63 HB2 ASN 63 -5.964 -4.642 22.409 482 HD21 ASN 63 HD21 ASN 63 -5.001 -4.996 25.268 483 HD22 ASN 63 HD22 ASN 63 -3.350 -5.361 25.126 484 H SER 64 H SER 64 -2.906 -1.845 21.226 485 HA SER 64 HA SER 64 -2.529 -3.942 19.212 486 HB2 SER 64 HB3 SER 64 -3.651 -2.137 17.989 487 HB3 SER 64 HB2 SER 64 -2.454 -0.983 18.570 488 HG SER 64 HG SER 64 -2.172 -2.057 16.400 489 H HIS 65 H HIS 65 -0.413 -4.470 18.896 490 HA HIS 65 HA HIS 65 1.586 -2.967 20.481 491 HB2 HIS 65 HB3 HIS 65 1.078 -5.347 21.149 492 HB3 HIS 65 HB2 HIS 65 1.752 -5.854 19.602 493 HD1 HIS 65 HD1 HIS 65 2.847 -3.618 22.508 494 HD2 HIS 65 HD2 HIS 65 4.455 -6.349 19.800 495 HE1 HIS 65 HE1 HIS 65 5.302 -3.844 23.091 496 HE2 HIS 65 HE2 HIS 65 6.296 -5.506 21.449 497 H CYS 66 H CYS 66 0.733 -3.976 17.287 498 HA CYS 66 HA CYS 66 3.240 -4.133 16.039 499 HB2 CYS 66 HB3 CYS 66 1.133 -4.814 14.957 500 HB3 CYS 66 HB2 CYS 66 0.626 -3.127 14.886 501 HG CYS 66 HG CYS 66 3.088 -4.243 13.304 502 H GLY 67 H GLY 67 1.079 -1.331 16.471 503 HA2 GLY 67 HA3 GLY 67 2.692 0.670 17.119 504 HA3 GLY 67 HA2 GLY 67 3.125 0.480 15.422 505 H TRP 68 H TRP 68 1.962 2.816 16.559 506 HA TRP 68 HA TRP 68 0.208 4.292 16.349 507 HB2 TRP 68 HB3 TRP 68 0.134 2.883 13.669 508 HB3 TRP 68 HB2 TRP 68 -0.715 4.387 14.021 509 HD1 TRP 68 HD1 TRP 68 0.671 6.589 14.132 510 HE1 TRP 68 HE1 TRP 68 3.124 7.176 13.591 511 HE3 TRP 68 HE3 TRP 68 2.636 1.889 13.750 512 HZ2 TRP 68 HZ2 TRP 68 5.592 5.826 13.066 513 HZ3 TRP 68 HZ3 TRP 68 5.038 1.569 13.230 514 HH2 TRP 68 HH2 TRP 68 6.516 3.529 12.888 515 HA PRO 69 HA PRO 69 -2.957 0.810 17.322 516 HB2 PRO 69 HB3 PRO 69 -3.178 2.453 19.809 517 HB3 PRO 69 HB2 PRO 69 -3.175 0.688 19.619 518 HG2 PRO 69 HG3 PRO 69 -1.055 1.921 20.575 519 HG3 PRO 69 HG2 PRO 69 -0.871 0.585 19.420 520 HD2 PRO 69 HD3 PRO 69 -0.635 3.544 18.930 521 HD3 PRO 69 HD2 PRO 69 0.358 2.211 18.299 522 H SER 70 H SER 70 -5.081 1.079 16.809 523 HA SER 70 HA SER 70 -6.044 3.677 16.040 524 HB2 SER 70 HB3 SER 70 -8.043 2.517 15.335 525 HB3 SER 70 HB2 SER 70 -6.650 1.557 14.853 526 HG SER 70 HG SER 70 -8.649 1.018 16.656 527 H PHE 71 H PHE 71 -8.149 4.532 16.821 528 HA PHE 71 HA PHE 71 -8.709 3.881 19.638 529 HB2 PHE 71 HB3 PHE 71 -8.286 6.672 18.544 530 HB3 PHE 71 HB2 PHE 71 -8.888 6.298 20.155 531 HD1 PHE 71 HD1 PHE 71 -5.948 6.480 18.005 532 HD2 PHE 71 HD2 PHE 71 -7.431 5.096 21.792 533 HE1 PHE 71 HE1 PHE 71 -3.621 6.240 18.829 534 HE2 PHE 71 HE2 PHE 71 -5.104 4.856 22.615 535 HZ PHE 71 HZ PHE 71 -3.200 5.427 21.134 536 H PHE 72 H PHE 72 -10.781 4.686 20.361 537 HA PHE 72 HA PHE 72 -12.759 4.753 18.184 538 HB2 PHE 72 HB3 PHE 72 -13.297 4.168 21.115 539 HB3 PHE 72 HB2 PHE 72 -14.402 3.948 19.768 540 HD1 PHE 72 HD1 PHE 72 -12.644 2.092 21.990 541 HD2 PHE 72 HD2 PHE 72 -12.961 2.518 17.724 542 HE1 PHE 72 HE1 PHE 72 -11.825 -0.225 21.697 543 HE2 PHE 72 HE2 PHE 72 -12.142 0.196 17.437 544 HZ PHE 72 HZ PHE 72 -11.575 -1.174 19.421 545 H SER 73 H SER 73 -14.881 5.910 19.652 546 HA SER 73 HA SER 73 -14.586 8.602 19.187 547 HB2 SER 73 HB3 SER 73 -16.596 8.909 20.393 548 HB3 SER 73 HB2 SER 73 -16.678 7.278 19.743 549 HG SER 73 HG SER 73 -16.760 6.565 21.701 550 HA PRO 74 HA PRO 74 -11.980 10.063 22.535 551 HB2 PRO 74 HB3 PRO 74 -12.473 12.722 22.444 552 HB3 PRO 74 HB2 PRO 74 -11.570 11.888 21.162 553 HG2 PRO 74 HG3 PRO 74 -14.447 12.683 21.224 554 HG3 PRO 74 HG2 PRO 74 -13.260 12.876 19.923 555 HD2 PRO 74 HD3 PRO 74 -15.084 10.860 19.964 556 HD3 PRO 74 HD2 PRO 74 -13.471 10.678 19.238 557 H LEU 75 H LEU 75 -12.277 11.918 24.384 558 HA LEU 75 HA LEU 75 -13.832 10.944 26.418 559 HB2 LEU 75 HB3 LEU 75 -12.440 13.450 25.811 560 HB3 LEU 75 HB2 LEU 75 -13.833 13.718 26.847 561 HG LEU 75 HG LEU 75 -11.667 13.361 28.012 562 HD11 LEU 75 HD11 LEU 75 -13.371 11.151 28.982 563 HD12 LEU 75 HD12 LEU 75 -14.061 12.776 28.911 564 HD13 LEU 75 HD13 LEU 75 -12.595 12.483 29.852 565 HD21 LEU 75 HD21 LEU 75 -11.017 11.413 26.380 566 HD22 LEU 75 HD22 LEU 75 -11.873 10.407 27.549 567 HD23 LEU 75 HD23 LEU 75 -10.481 11.366 28.056 568 H ALA 76 H ALA 76 -14.721 13.857 24.552 569 HA ALA 76 HA ALA 76 -17.444 13.013 24.178 570 HB1 ALA 76 HB1 ALA 76 -17.216 15.457 25.891 571 HB2 ALA 76 HB2 ALA 76 -17.167 13.865 26.650 572 HB3 ALA 76 HB3 ALA 76 -18.573 14.347 25.699 573 H GLY 77 H GLY 77 -14.976 14.318 22.845 574 HA2 GLY 77 HA3 GLY 77 -14.698 15.657 20.982 575 HA3 GLY 77 HA2 GLY 77 -16.429 15.972 21.004 576 H ASP 78 H ASP 78 -14.962 16.615 24.009 577 HA ASP 78 HA ASP 78 -15.140 19.506 23.529 578 HB2 ASP 78 HB3 ASP 78 -15.112 17.847 26.047 579 HB3 ASP 78 HB2 ASP 78 -15.042 19.601 26.038 580 H LYS 79 H LYS 79 -12.881 16.979 24.404 581 HA LYS 79 HA LYS 79 -10.784 18.923 25.060 582 HB2 LYS 79 HB3 LYS 79 -10.211 15.975 24.907 583 HB3 LYS 79 HB2 LYS 79 -9.534 17.200 25.978 584 HG2 LYS 79 HG3 LYS 79 -12.386 16.157 26.169 585 HG3 LYS 79 HG2 LYS 79 -11.054 15.593 27.164 586 HD2 LYS 79 HD3 LYS 79 -10.780 17.787 28.155 587 HD3 LYS 79 HD2 LYS 79 -11.981 18.473 27.056 588 HE2 LYS 79 HE3 LYS 79 -13.716 17.040 28.006 589 HE3 LYS 79 HE2 LYS 79 -12.538 16.268 29.061 590 HZ1 LYS 79 HZ1 LYS 79 -12.096 18.702 29.803 591 HZ2 LYS 79 HZ2 LYS 79 -13.435 17.865 30.429 592 HZ3 LYS 79 HZ3 LYS 79 -13.644 18.992 29.174 593 H VAL 80 H VAL 80 -11.934 17.101 22.395 594 HA VAL 80 HA VAL 80 -9.579 17.899 20.808 595 HB VAL 80 HB VAL 80 -9.643 15.732 19.603 596 HG11 VAL 80 HG11 VAL 80 -8.502 14.460 21.286 597 HG12 VAL 80 HG12 VAL 80 -9.364 15.290 22.582 598 HG13 VAL 80 HG13 VAL 80 -8.171 16.161 21.618 599 HG21 VAL 80 HG21 VAL 80 -12.004 15.144 20.085 600 HG22 VAL 80 HG22 VAL 80 -11.595 14.920 21.785 601 HG23 VAL 80 HG23 VAL 80 -10.910 13.847 20.565 602 H ILE 81 H ILE 81 -9.990 18.341 18.624 603 HA ILE 81 HA ILE 81 -12.846 18.416 17.858 604 HB ILE 81 HB ILE 81 -10.754 20.552 17.844 605 HG12 ILE 81 HG13 ILE 81 -12.733 22.001 18.192 606 HG13 ILE 81 HG12 ILE 81 -13.791 20.615 17.957 607 HG21 ILE 81 HG21 ILE 81 -12.828 20.404 15.631 608 HG22 ILE 81 HG22 ILE 81 -11.081 20.274 15.417 609 HG23 ILE 81 HG23 ILE 81 -11.792 21.791 15.978 610 HD11 ILE 81 HD11 ILE 81 -11.674 20.326 20.038 611 HD12 ILE 81 HD12 ILE 81 -13.338 19.747 20.033 612 HD13 ILE 81 HD13 ILE 81 -12.995 21.438 20.402 613 H GLU 82 H GLU 82 -13.386 17.630 15.950 614 HA GLU 82 HA GLU 82 -11.235 16.619 14.177 615 HB2 GLU 82 HB3 GLU 82 -14.007 15.454 14.127 616 HB3 GLU 82 HB2 GLU 82 -12.480 14.704 13.692 617 HG2 GLU 82 HG3 GLU 82 -11.867 14.813 16.178 618 HG3 GLU 82 HG2 GLU 82 -13.548 15.238 16.474 619 H ARG 83 H ARG 83 -11.159 17.589 12.241 620 HA ARG 83 HA ARG 83 -13.624 18.465 10.938 621 HB2 ARG 83 HB3 ARG 83 -12.753 20.735 10.522 622 HB3 ARG 83 HB2 ARG 83 -12.963 20.427 12.242 623 HG2 ARG 83 HG3 ARG 83 -10.558 19.958 12.473 624 HG3 ARG 83 HG2 ARG 83 -10.332 20.215 10.743 625 HD2 ARG 83 HD3 ARG 83 -11.418 22.305 12.648 626 HD3 ARG 83 HD2 ARG 83 -9.738 22.217 12.129 627 HE ARG 83 HE ARG 83 -11.290 22.252 9.812 628 HH11 ARG 83 HH11 ARG 83 -10.674 24.386 12.525 629 HH12 ARG 83 HH12 ARG 83 -10.964 25.825 11.607 630 HH21 ARG 83 HH21 ARG 83 -11.658 24.149 8.657 631 HH22 ARG 83 HH22 ARG 83 -11.516 25.690 9.435 632 H THR 84 H THR 84 -13.386 18.889 8.684 633 HA THR 84 HA THR 84 -11.329 17.272 7.463 634 HB THR 84 HB THR 84 -13.754 17.248 6.781 635 HG1 THR 84 HG1 THR 84 -11.943 16.591 5.453 636 HG21 THR 84 HG21 THR 84 -14.500 19.028 5.222 637 HG22 THR 84 HG22 THR 84 -13.023 19.927 5.571 638 HG23 THR 84 HG23 THR 84 -14.211 19.654 6.847 639 H ASP 85 H ASP 85 -9.761 17.964 6.013 640 HA ASP 85 HA ASP 85 -9.309 20.882 5.826 641 HB2 ASP 85 HB3 ASP 85 -7.837 19.886 7.567 642 HB3 ASP 85 HB2 ASP 85 -7.162 18.811 6.342 643 H THR 86 H THR 86 -9.344 21.439 3.770 644 HA THR 86 HA THR 86 -9.033 19.583 1.621 645 HB THR 86 HB THR 86 -9.127 22.594 1.387 646 HG1 THR 86 HG1 THR 86 -10.958 22.380 2.394 647 HG21 THR 86 HG21 THR 86 -10.040 22.166 -0.776 648 HG22 THR 86 HG22 THR 86 -10.299 20.461 -0.405 649 HG23 THR 86 HG23 THR 86 -8.660 21.081 -0.612 650 H SER 87 H SER 87 -6.894 18.956 2.418 651 HA SER 87 HA SER 87 -4.641 20.699 1.986 652 HB2 SER 87 HB3 SER 87 -4.815 17.703 2.374 653 HB3 SER 87 HB2 SER 87 -3.307 18.609 2.290 654 HG SER 87 HG SER 87 -3.676 18.721 4.382 655 H HIS 88 H HIS 88 -3.965 21.287 0.045 656 HA HIS 88 HA HIS 88 -3.351 21.273 -2.141 657 HB2 HIS 88 HB3 HIS 88 -2.339 18.970 -1.239 658 HB3 HIS 88 HB2 HIS 88 -3.516 18.288 -2.356 659 HD1 HIS 88 HD1 HIS 88 -0.164 18.761 -2.481 660 HD2 HIS 88 HD2 HIS 88 -3.174 20.363 -4.880 661 HE1 HIS 88 HE1 HIS 88 0.941 19.454 -4.653 662 HE2 HIS 88 HE2 HIS 88 -0.881 20.431 -6.125 663 H GLY 89 H GLY 89 -5.451 18.351 -2.149 664 HA2 GLY 89 HA3 GLY 89 -7.399 19.836 -3.796 665 HA3 GLY 89 HA2 GLY 89 -6.752 18.310 -4.384 666 H MET 90 H MET 90 -6.831 16.578 -2.427 667 HA MET 90 HA MET 90 -9.633 16.180 -1.921 668 HB2 MET 90 HB3 MET 90 -8.921 14.014 -0.977 669 HB3 MET 90 HB2 MET 90 -8.228 14.274 -2.574 670 HG2 MET 90 HG3 MET 90 -6.111 15.038 -1.511 671 HG3 MET 90 HG2 MET 90 -6.810 14.710 0.076 672 HE1 MET 90 HE1 MET 90 -5.575 13.615 -3.189 673 HE2 MET 90 HE2 MET 90 -6.973 12.568 -3.413 674 HE3 MET 90 HE3 MET 90 -5.381 11.858 -3.153 675 H VAL 91 H VAL 91 -10.388 15.567 0.271 676 HA VAL 91 HA VAL 91 -9.097 17.292 2.287 677 HB VAL 91 HB VAL 91 -11.299 17.560 3.321 678 HG11 VAL 91 HG11 VAL 91 -12.439 18.627 1.134 679 HG12 VAL 91 HG12 VAL 91 -10.817 18.367 0.493 680 HG13 VAL 91 HG13 VAL 91 -11.053 19.353 1.935 681 HG21 VAL 91 HG21 VAL 91 -13.316 16.782 1.965 682 HG22 VAL 91 HG22 VAL 91 -12.418 15.516 2.801 683 HG23 VAL 91 HG23 VAL 91 -12.196 15.755 1.067 684 H ARG 92 H ARG 92 -8.985 16.595 4.440 685 HA ARG 92 HA ARG 92 -9.634 13.784 5.007 686 HB2 ARG 92 HB3 ARG 92 -6.935 15.095 5.394 687 HB3 ARG 92 HB2 ARG 92 -7.401 13.573 6.147 688 HG2 ARG 92 HG3 ARG 92 -7.927 12.698 3.827 689 HG3 ARG 92 HG2 ARG 92 -7.183 14.163 3.185 690 HD2 ARG 92 HD3 ARG 92 -5.801 12.203 5.039 691 HD3 ARG 92 HD2 ARG 92 -5.594 12.238 3.291 692 HE ARG 92 HE ARG 92 -4.531 14.159 5.216 693 HH11 ARG 92 HH11 ARG 92 -5.166 13.441 1.840 694 HH12 ARG 92 HH12 ARG 92 -4.008 14.590 1.263 695 HH21 ARG 92 HH21 ARG 92 -3.041 15.642 4.413 696 HH22 ARG 92 HH22 ARG 92 -2.819 15.824 2.705 697 H THR 93 H THR 93 -10.052 13.375 7.225 698 HA THR 93 HA THR 93 -10.725 15.776 8.742 699 HB THR 93 HB THR 93 -11.146 12.890 9.553 700 HG1 THR 93 HG1 THR 93 -12.643 12.887 8.101 701 HG21 THR 93 HG21 THR 93 -13.032 14.034 10.863 702 HG22 THR 93 HG22 THR 93 -12.226 15.557 10.485 703 HG23 THR 93 HG23 THR 93 -11.392 14.330 11.440 704 H GLU 94 H GLU 94 -9.180 16.693 9.868 705 HA GLU 94 HA GLU 94 -6.999 15.089 10.962 706 HB2 GLU 94 HB3 GLU 94 -5.932 17.272 11.448 707 HB3 GLU 94 HB2 GLU 94 -6.349 17.106 9.746 708 HG2 GLU 94 HG3 GLU 94 -8.392 18.443 10.106 709 HG3 GLU 94 HG2 GLU 94 -8.002 18.590 11.816 710 H VAL 95 H VAL 95 -6.537 14.935 13.090 711 HA VAL 95 HA VAL 95 -8.710 15.666 14.936 712 HB VAL 95 HB VAL 95 -6.445 13.664 15.237 713 HG11 VAL 95 HG11 VAL 95 -7.931 12.938 17.235 714 HG12 VAL 95 HG12 VAL 95 -8.670 14.536 17.094 715 HG13 VAL 95 HG13 VAL 95 -6.945 14.388 17.437 716 HG21 VAL 95 HG21 VAL 95 -8.102 11.973 14.893 717 HG22 VAL 95 HG22 VAL 95 -8.365 13.155 13.610 718 HG23 VAL 95 HG23 VAL 95 -9.420 13.137 15.024 719 H ILE 96 H ILE 96 -8.430 17.355 16.170 720 HA ILE 96 HA ILE 96 -5.700 18.181 16.946 721 HB ILE 96 HB ILE 96 -6.451 20.514 16.852 722 HG12 ILE 96 HG13 ILE 96 -8.884 19.595 15.300 723 HG13 ILE 96 HG12 ILE 96 -8.963 19.786 17.049 724 HG21 ILE 96 HG21 ILE 96 -5.297 19.443 14.930 725 HG22 ILE 96 HG22 ILE 96 -6.376 20.745 14.435 726 HG23 ILE 96 HG23 ILE 96 -6.867 19.061 14.226 727 HD11 ILE 96 HD11 ILE 96 -7.840 22.128 16.510 728 HD12 ILE 96 HD12 ILE 96 -9.581 21.899 16.399 729 HD13 ILE 96 HD13 ILE 96 -8.596 21.862 14.938 730 H CYS 97 H CYS 97 -5.608 19.425 18.910 731 HA CYS 97 HA CYS 97 -7.440 18.412 20.935 732 HB2 CYS 97 HB3 CYS 97 -5.027 18.554 21.320 733 HB3 CYS 97 HB2 CYS 97 -5.087 20.289 21.171 734 H ALA 98 H ALA 98 -9.044 19.559 21.873 735 HA ALA 98 HA ALA 98 -10.200 21.722 20.549 736 HB1 ALA 98 HB1 ALA 98 -11.752 21.833 22.381 737 HB2 ALA 98 HB2 ALA 98 -10.626 20.993 23.448 738 HB3 ALA 98 HB3 ALA 98 -11.363 20.136 22.091 739 H ASN 99 H ASN 99 -7.637 21.737 22.891 740 HA ASN 99 HA ASN 99 -7.997 24.636 23.345 741 HB2 ASN 99 HB3 ASN 99 -6.340 24.299 25.183 742 HB3 ASN 99 HB2 ASN 99 -7.834 23.401 25.360 743 HD21 ASN 99 HD21 ASN 99 -7.478 21.345 26.105 744 HD22 ASN 99 HD22 ASN 99 -6.158 20.376 25.675 745 H CYS 100 H CYS 100 -5.773 22.257 22.060 746 HA CYS 100 HA CYS 100 -4.150 24.486 20.976 747 HB2 CYS 100 HB3 CYS 100 -2.077 23.226 21.367 748 HB3 CYS 100 HB2 CYS 100 -2.911 23.587 22.874 749 H GLU 101 H GLU 101 -2.798 23.852 19.101 750 HA GLU 101 HA GLU 101 -4.444 22.383 17.253 751 HB2 GLU 101 HB3 GLU 101 -1.858 23.912 16.973 752 HB3 GLU 101 HB2 GLU 101 -2.541 22.988 15.635 753 HG2 GLU 101 HG3 GLU 101 -4.581 24.276 15.689 754 HG3 GLU 101 HG2 GLU 101 -4.095 25.083 17.176 755 H SER 102 H SER 102 -4.206 20.375 18.579 756 HA SER 102 HA SER 102 -1.724 18.911 18.219 757 HB2 SER 102 HB3 SER 102 -4.345 18.013 19.416 758 HB3 SER 102 HB2 SER 102 -2.844 17.101 19.441 759 HG SER 102 HG SER 102 -2.950 18.219 21.346 760 H HIS 103 H HIS 103 -2.392 19.588 15.842 761 HA HIS 103 HA HIS 103 -4.081 17.707 14.454 762 HB2 HIS 103 HB3 HIS 103 -2.909 18.740 12.386 763 HB3 HIS 103 HB2 HIS 103 -3.989 19.757 13.326 764 HD1 HIS 103 HD1 HIS 103 -2.776 21.939 12.660 765 HD2 HIS 103 HD2 HIS 103 -0.275 19.199 14.576 766 HE1 HIS 103 HE1 HIS 103 -0.662 23.194 13.267 767 HE2 HIS 103 HE2 HIS 103 0.863 21.540 14.440 768 H LEU 104 H LEU 104 -1.550 16.862 16.036 769 HA LEU 104 HA LEU 104 0.329 15.812 14.195 770 HB2 LEU 104 HB3 LEU 104 1.102 14.469 16.118 771 HB3 LEU 104 HB2 LEU 104 0.868 16.164 16.522 772 HG LEU 104 HG LEU 104 -1.592 15.265 17.209 773 HD11 LEU 104 HD11 LEU 104 -1.603 13.066 18.087 774 HD12 LEU 104 HD12 LEU 104 0.154 12.933 18.030 775 HD13 LEU 104 HD13 LEU 104 -0.781 12.886 16.543 776 HD21 LEU 104 HD21 LEU 104 -0.879 15.340 19.488 777 HD22 LEU 104 HD22 LEU 104 0.183 16.446 18.618 778 HD23 LEU 104 HD23 LEU 104 0.761 14.844 19.069 779 H GLY 105 H GLY 105 -2.798 14.723 15.266 780 HA2 GLY 105 HA3 GLY 105 -2.399 12.158 13.845 781 HA3 GLY 105 HA2 GLY 105 -3.410 12.351 15.269 782 H HIS 106 H HIS 106 -4.144 11.318 12.669 783 HA HIS 106 HA HIS 106 -6.312 13.207 11.976 784 HB2 HIS 106 HB3 HIS 106 -4.638 11.500 10.123 785 HB3 HIS 106 HB2 HIS 106 -6.186 12.197 9.645 786 HD1 HIS 106 HD1 HIS 106 -2.798 13.327 10.980 787 HD2 HIS 106 HD2 HIS 106 -6.002 14.820 8.759 788 HE1 HIS 106 HE1 HIS 106 -2.100 15.622 10.169 789 HE2 HIS 106 HE2 HIS 106 -4.042 16.547 8.820 790 H VAL 107 H VAL 107 -8.269 12.175 11.205 791 HA VAL 107 HA VAL 107 -8.540 9.345 12.015 792 HB VAL 107 HB VAL 107 -9.514 10.807 13.740 793 HG11 VAL 107 HG11 VAL 107 -10.049 12.664 12.037 794 HG12 VAL 107 HG12 VAL 107 -11.224 12.383 13.318 795 HG13 VAL 107 HG13 VAL 107 -11.522 11.755 11.697 796 HG21 VAL 107 HG21 VAL 107 -11.696 9.470 12.115 797 HG22 VAL 107 HG22 VAL 107 -11.699 9.766 13.854 798 HG23 VAL 107 HG23 VAL 107 -10.571 8.603 13.161 799 H PHE 108 H PHE 108 -9.891 8.074 10.775 800 HA PHE 108 HA PHE 108 -11.103 9.314 8.380 801 HB2 PHE 108 HB3 PHE 108 -8.888 8.337 7.789 802 HB3 PHE 108 HB2 PHE 108 -9.446 6.773 8.375 803 HD1 PHE 108 HD1 PHE 108 -10.079 9.435 5.849 804 HD2 PHE 108 HD2 PHE 108 -10.851 5.377 7.030 805 HE1 PHE 108 HE1 PHE 108 -11.132 8.994 3.649 806 HE2 PHE 108 HE2 PHE 108 -11.904 4.937 4.829 807 HZ PHE 108 HZ PHE 108 -12.045 6.746 3.137 808 H ALA 109 H ALA 109 -13.156 8.717 8.115 809 HA ALA 109 HA ALA 109 -14.438 6.900 9.898 810 HB1 ALA 109 HB1 ALA 109 -15.438 8.148 7.329 811 HB2 ALA 109 HB2 ALA 109 -15.606 8.829 8.949 812 HB3 ALA 109 HB3 ALA 109 -16.441 7.331 8.529 813 H GLY 110 H GLY 110 -15.349 4.879 9.486 814 HA2 GLY 110 HA3 GLY 110 -15.828 2.966 8.134 815 HA3 GLY 110 HA2 GLY 110 -14.609 3.513 6.983 816 H GLU 111 H GLU 111 -14.709 2.837 10.483 817 HA GLU 111 HA GLU 111 -12.012 1.908 10.585 818 HB2 GLU 111 HB3 GLU 111 -13.270 2.948 12.487 819 HB3 GLU 111 HB2 GLU 111 -14.225 1.471 12.602 820 HG2 GLU 111 HG3 GLU 111 -12.189 0.166 13.021 821 HG3 GLU 111 HG2 GLU 111 -11.206 1.611 12.853 822 H GLY 112 H GLY 112 -15.122 0.327 10.128 823 HA2 GLY 112 HA3 GLY 112 -15.544 -1.791 9.267 824 HA3 GLY 112 HA2 GLY 112 -13.818 -2.117 9.299 825 H TYR 113 H TYR 113 -14.700 -1.003 12.336 826 HA TYR 113 HA TYR 113 -14.792 -3.754 13.377 827 HB2 TYR 113 HB3 TYR 113 -13.904 -1.124 14.526 828 HB3 TYR 113 HB2 TYR 113 -14.314 -2.466 15.594 829 HD1 TYR 113 HD1 TYR 113 -12.263 -1.691 12.545 830 HD2 TYR 113 HD2 TYR 113 -12.674 -4.075 16.095 831 HE1 TYR 113 HE1 TYR 113 -10.031 -2.687 12.134 832 HE2 TYR 113 HE2 TYR 113 -10.443 -5.075 15.680 833 HH TYR 113 HH TYR 113 -8.867 -5.408 13.966 834 H ASP 114 H ASP 114 -17.099 -1.858 12.404 835 HA ASP 114 HA ASP 114 -19.288 -1.508 12.951 836 HB2 ASP 114 HB3 ASP 114 -19.003 -4.054 13.185 837 HB3 ASP 114 HB2 ASP 114 -18.993 -3.769 14.923 838 H THR 115 H THR 115 -17.590 0.202 14.236 839 HA THR 115 HA THR 115 -18.284 0.325 17.044 840 HB THR 115 HB THR 115 -16.986 2.659 16.618 841 HG1 THR 115 HG1 THR 115 -15.617 2.529 14.958 842 HG21 THR 115 HG21 THR 115 -15.035 1.631 17.463 843 HG22 THR 115 HG22 THR 115 -15.421 0.081 16.714 844 HG23 THR 115 HG23 THR 115 -16.367 0.661 18.088 845 HA PRO 116 HA PRO 116 -21.686 3.108 16.700 846 HB2 PRO 116 HB3 PRO 116 -21.222 4.903 18.734 847 HB3 PRO 116 HB2 PRO 116 -21.826 3.253 18.986 848 HG2 PRO 116 HG3 PRO 116 -19.063 4.322 19.291 849 HG3 PRO 116 HG2 PRO 116 -19.939 3.147 20.287 850 HD2 PRO 116 HD3 PRO 116 -18.057 2.423 18.460 851 HD3 PRO 116 HD2 PRO 116 -19.434 1.379 18.855 852 H THR 117 H THR 117 -18.465 4.450 16.630 853 HA THR 117 HA THR 117 -19.441 6.905 15.296 854 HB THR 117 HB THR 117 -17.223 7.846 15.784 855 HG1 THR 117 HG1 THR 117 -15.692 6.491 16.155 856 HG21 THR 117 HG21 THR 117 -19.172 7.792 17.503 857 HG22 THR 117 HG22 THR 117 -17.559 8.208 18.084 858 HG23 THR 117 HG23 THR 117 -18.193 6.582 18.338 859 H ASP 118 H ASP 118 -17.609 3.990 14.859 860 HA ASP 118 HA ASP 118 -16.490 3.083 13.072 861 HB2 ASP 118 HB3 ASP 118 -18.842 3.526 12.151 862 HB3 ASP 118 HB2 ASP 118 -18.146 4.933 11.354 863 H LEU 119 H LEU 119 -15.082 5.066 14.337 864 HA LEU 119 HA LEU 119 -13.863 6.652 12.161 865 HB2 LEU 119 HB3 LEU 119 -13.856 7.031 15.158 866 HB3 LEU 119 HB2 LEU 119 -12.863 7.975 14.055 867 HG LEU 119 HG LEU 119 -15.873 7.763 13.787 868 HD11 LEU 119 HD11 LEU 119 -16.063 9.842 14.962 869 HD12 LEU 119 HD12 LEU 119 -14.313 10.063 14.989 870 HD13 LEU 119 HD13 LEU 119 -15.057 8.803 15.973 871 HD21 LEU 119 HD21 LEU 119 -15.461 9.930 12.499 872 HD22 LEU 119 HD22 LEU 119 -14.827 8.475 11.729 873 HD23 LEU 119 HD23 LEU 119 -13.738 9.563 12.591 874 H ARG 120 H ARG 120 -11.733 6.506 11.701 875 HA ARG 120 HA ARG 120 -10.197 4.387 13.081 876 HB2 ARG 120 HB3 ARG 120 -10.813 3.964 10.672 877 HB3 ARG 120 HB2 ARG 120 -9.837 5.364 10.236 878 HG2 ARG 120 HG3 ARG 120 -8.395 3.494 9.956 879 HG3 ARG 120 HG2 ARG 120 -7.911 4.223 11.486 880 HD2 ARG 120 HD3 ARG 120 -9.150 2.569 12.740 881 HD3 ARG 120 HD2 ARG 120 -9.868 1.922 11.267 882 HE ARG 120 HE ARG 120 -7.067 1.765 11.025 883 HH11 ARG 120 HH11 ARG 120 -9.637 0.335 12.931 884 HH12 ARG 120 HH12 ARG 120 -8.786 -1.155 13.170 885 HH21 ARG 120 HH21 ARG 120 -6.003 -0.191 11.349 886 HH22 ARG 120 HH22 ARG 120 -6.745 -1.448 12.280 887 H TYR 121 H TYR 121 -9.654 6.178 14.620 888 HA TYR 121 HA TYR 121 -8.101 8.418 13.848 889 HB2 TYR 121 HB3 TYR 121 -8.206 6.906 16.467 890 HB3 TYR 121 HB2 TYR 121 -7.428 8.466 16.240 891 HD1 TYR 121 HD1 TYR 121 -10.656 6.687 16.339 892 HD2 TYR 121 HD2 TYR 121 -8.728 10.502 16.018 893 HE1 TYR 121 HE1 TYR 121 -12.812 7.800 16.835 894 HE2 TYR 121 HE2 TYR 121 -10.886 11.629 16.489 895 HH TYR 121 HH TYR 121 -13.720 9.835 17.503 896 H CYS 122 H CYS 122 -6.206 8.194 12.787 897 HA CYS 122 HA CYS 122 -4.372 6.009 13.551 898 HB2 CYS 122 HB3 CYS 122 -4.328 7.862 11.145 899 HB3 CYS 122 HB2 CYS 122 -3.182 6.558 11.453 900 HG CYS 122 HG CYS 122 -4.894 4.859 10.782 901 H ILE 123 H ILE 123 -3.649 6.927 15.477 902 HA ILE 123 HA ILE 123 -1.868 9.259 15.131 903 HB ILE 123 HB ILE 123 -3.650 8.970 17.561 904 HG12 ILE 123 HG13 ILE 123 -4.178 10.568 15.014 905 HG13 ILE 123 HG12 ILE 123 -5.121 9.216 15.590 906 HG21 ILE 123 HG21 ILE 123 -1.636 10.324 17.824 907 HG22 ILE 123 HG22 ILE 123 -3.039 11.392 17.777 908 HG23 ILE 123 HG23 ILE 123 -2.013 11.220 16.352 909 HD11 ILE 123 HD11 ILE 123 -5.023 12.025 16.645 910 HD12 ILE 123 HD12 ILE 123 -5.395 10.705 17.760 911 HD13 ILE 123 HD13 ILE 123 -6.421 10.979 16.352 912 H ASN 124 H ASN 124 -0.130 9.378 16.605 913 HA ASN 124 HA ASN 124 0.391 6.885 18.117 914 HB2 ASN 124 HB3 ASN 124 1.812 7.601 15.957 915 HB3 ASN 124 HB2 ASN 124 2.663 8.560 17.163 916 HD21 ASN 124 HD21 ASN 124 3.747 6.207 15.742 917 HD22 ASN 124 HD22 ASN 124 4.108 5.052 16.930 918 H SER 125 H SER 125 1.909 7.211 19.957 919 HA SER 125 HA SER 125 1.179 9.673 21.369 920 HB2 SER 125 HB3 SER 125 0.738 7.581 22.531 921 HB3 SER 125 HB2 SER 125 2.419 7.093 22.351 922 HG SER 125 HG SER 125 2.804 8.191 24.088 923 H VAL 126 H VAL 126 2.565 11.200 20.537 924 HA VAL 126 HA VAL 126 5.428 10.775 20.466 925 HB VAL 126 HB VAL 126 4.224 12.245 18.822 926 HG11 VAL 126 HG11 VAL 126 3.298 14.303 19.374 927 HG12 VAL 126 HG12 VAL 126 4.246 14.462 20.854 928 HG13 VAL 126 HG13 VAL 126 2.862 13.365 20.802 929 HG21 VAL 126 HG21 VAL 126 6.311 13.794 20.367 930 HG22 VAL 126 HG22 VAL 126 6.042 13.760 18.624 931 HG23 VAL 126 HG23 VAL 126 6.717 12.350 19.438 932 H CYS 127 H CYS 127 4.792 10.106 22.926 933 HA CYS 127 HA CYS 127 5.428 10.406 25.100 934 HB2 CYS 127 HB3 CYS 127 7.382 11.721 24.154 935 HB3 CYS 127 HB2 CYS 127 6.417 13.179 24.387 936 HG CYS 127 HG CYS 127 6.253 12.167 27.003 937 H LEU 128 H LEU 128 2.969 10.477 24.787 938 HA LEU 128 HA LEU 128 1.698 12.965 25.655 939 HB2 LEU 128 HB3 LEU 128 0.519 11.750 23.962 940 HB3 LEU 128 HB2 LEU 128 0.688 10.228 24.820 941 HG LEU 128 HG LEU 128 -0.777 12.436 26.247 942 HD11 LEU 128 HD11 LEU 128 -2.148 10.770 24.124 943 HD12 LEU 128 HD12 LEU 128 -1.628 12.436 23.860 944 HD13 LEU 128 HD13 LEU 128 -2.840 12.076 25.087 945 HD21 LEU 128 HD21 LEU 128 -1.084 9.431 25.969 946 HD22 LEU 128 HD22 LEU 128 -2.212 10.436 26.878 947 HD23 LEU 128 HD23 LEU 128 -0.530 10.314 27.387 948 H THR 129 H THR 129 0.473 13.051 27.636 949 HA THR 129 HA THR 129 1.784 11.591 29.792 950 HB THR 129 HB THR 129 -0.253 13.837 29.869 951 HG1 THR 129 HG1 THR 129 1.528 15.116 30.170 952 HG21 THR 129 HG21 THR 129 0.333 14.081 32.201 953 HG22 THR 129 HG22 THR 129 1.588 12.849 32.067 954 HG23 THR 129 HG23 THR 129 -0.112 12.393 31.947 955 H LEU 130 H LEU 130 0.943 10.004 30.957 956 HA LEU 130 HA LEU 130 -1.762 9.053 30.306 957 HB2 LEU 130 HB3 LEU 130 -0.114 7.365 29.966 958 HB3 LEU 130 HB2 LEU 130 0.693 7.740 31.472 959 HG LEU 130 HG LEU 130 -0.696 5.565 31.343 960 HD11 LEU 130 HD11 LEU 130 -1.565 7.218 33.690 961 HD12 LEU 130 HD12 LEU 130 0.154 6.909 33.437 962 HD13 LEU 130 HD13 LEU 130 -0.964 5.562 33.637 963 HD21 LEU 130 HD21 LEU 130 -3.148 6.950 32.247 964 HD22 LEU 130 HD22 LEU 130 -2.958 5.580 31.157 965 HD23 LEU 130 HD23 LEU 130 -2.778 7.220 30.541 966 H ILE 131 H ILE 131 -3.362 9.093 31.724 967 HA ILE 131 HA ILE 131 -2.823 10.127 34.435 968 HB ILE 131 HB ILE 131 -5.424 9.968 32.885 969 HG12 ILE 131 HG13 ILE 131 -3.884 11.600 31.867 970 HG13 ILE 131 HG12 ILE 131 -5.220 12.426 32.652 971 HG21 ILE 131 HG21 ILE 131 -6.173 11.612 34.700 972 HG22 ILE 131 HG22 ILE 131 -4.734 11.119 35.593 973 HG23 ILE 131 HG23 ILE 131 -5.977 9.931 35.197 974 HD11 ILE 131 HD11 ILE 131 -3.730 12.802 34.649 975 HD12 ILE 131 HD12 ILE 131 -3.162 13.609 33.188 976 HD13 ILE 131 HD13 ILE 131 -2.395 12.113 33.725 977 HA PRO 132 HA PRO 132 -3.709 5.812 35.588 978 HB2 PRO 132 HB3 PRO 132 -3.080 6.053 38.245 979 HB3 PRO 132 HB2 PRO 132 -1.868 5.826 36.970 980 HG2 PRO 132 HG3 PRO 132 -2.655 8.300 38.404 981 HG3 PRO 132 HG2 PRO 132 -1.072 7.787 37.812 982 HD2 PRO 132 HD3 PRO 132 -2.670 9.632 36.572 983 HD3 PRO 132 HD2 PRO 132 -1.413 8.678 35.754 984 H ALA 133 H ALA 133 -5.934 6.011 35.235 985 HA ALA 133 HA ALA 133 -7.768 7.464 36.734 986 HB1 ALA 133 HB1 ALA 133 -8.578 6.642 34.712 987 HB2 ALA 133 HB2 ALA 133 -9.352 5.558 35.867 988 HB3 ALA 133 HB3 ALA 133 -7.911 5.030 34.987 989 H GLU 134 H GLU 134 -6.943 3.988 37.046 990 HA GLU 134 HA GLU 134 -7.011 3.888 39.849 991 HB2 GLU 134 HB3 GLU 134 -9.464 4.364 39.466 992 HB3 GLU 134 HB2 GLU 134 -9.556 2.840 38.593 993 HG2 GLU 134 HG3 GLU 134 -8.784 1.641 40.614 994 HG3 GLU 134 HG2 GLU 134 -8.693 3.170 41.482 995 H GLU 135 H GLU 135 -8.439 1.780 37.331 996 HA GLU 135 HA GLU 135 -7.995 -0.370 36.704 997 HB2 GLU 135 HB3 GLU 135 -5.184 0.554 37.336 998 HB3 GLU 135 HB2 GLU 135 -5.563 -0.961 36.519 999 HG2 GLU 135 HG3 GLU 135 -6.351 1.801 35.542 1000 HG3 GLU 135 HG2 GLU 135 -5.027 0.834 34.905 1001 H SER 136 H SER 136 -9.066 -0.266 39.126 1002 HA SER 136 HA SER 136 -7.731 -2.472 40.552 1003 HB2 SER 136 HB3 SER 136 -7.389 -0.138 41.637 1004 HB3 SER 136 HB2 SER 136 -9.088 -0.269 42.082 1005 HG SER 136 HG SER 136 -7.152 -2.278 42.602 Start of MODEL 5 1 H MET 1 H1 MET 1 -6.059 26.585 33.358 2 HA MET 1 HA MET 1 -7.157 26.709 31.385 3 HB2 MET 1 HB3 MET 1 -9.070 27.732 33.501 4 HB3 MET 1 HB2 MET 1 -9.588 27.187 31.904 5 HG2 MET 1 HG3 MET 1 -8.676 24.972 32.304 6 HG3 MET 1 HG2 MET 1 -7.978 25.496 33.837 7 HE1 MET 1 HE1 MET 1 -11.494 26.271 32.155 8 HE2 MET 1 HE2 MET 1 -12.400 24.901 32.790 9 HE3 MET 1 HE3 MET 1 -10.993 24.620 31.767 10 H THR 2 H THR 2 -6.231 28.199 30.016 11 HA THR 2 HA THR 2 -7.733 30.651 29.593 12 HB THR 2 HB THR 2 -6.026 31.364 31.209 13 HG1 THR 2 HG1 THR 2 -5.075 32.968 29.822 14 HG21 THR 2 HG21 THR 2 -4.062 30.330 29.142 15 HG22 THR 2 HG22 THR 2 -4.290 29.706 30.776 16 HG23 THR 2 HG23 THR 2 -3.625 31.321 30.533 17 H ASN 3 H ASN 3 -6.642 31.884 27.661 18 HA ASN 3 HA ASN 3 -6.695 30.128 25.419 19 HB2 ASN 3 HB3 ASN 3 -7.394 32.563 25.459 20 HB3 ASN 3 HB2 ASN 3 -5.685 32.978 25.489 21 HD21 ASN 3 HD21 ASN 3 -5.846 33.994 23.369 22 HD22 ASN 3 HD22 ASN 3 -6.006 33.064 21.963 23 H PHE 4 H PHE 4 -5.098 28.850 24.751 24 HA PHE 4 HA PHE 4 -2.397 29.169 25.730 25 HB2 PHE 4 HB3 PHE 4 -3.633 27.186 23.813 26 HB3 PHE 4 HB2 PHE 4 -1.964 27.118 24.377 27 HD1 PHE 4 HD1 PHE 4 -5.505 26.796 25.359 28 HD2 PHE 4 HD2 PHE 4 -1.427 26.499 26.671 29 HE1 PHE 4 HE1 PHE 4 -6.250 25.626 27.414 30 HE2 PHE 4 HE2 PHE 4 -2.172 25.334 28.728 31 HZ PHE 4 HZ PHE 4 -4.584 24.897 29.099 32 H LYS 5 H LYS 5 -4.096 30.321 23.010 33 HA LYS 5 HA LYS 5 -2.112 30.274 20.998 34 HB2 LYS 5 HB3 LYS 5 -4.309 32.323 21.410 35 HB3 LYS 5 HB2 LYS 5 -3.450 32.007 19.907 36 HG2 LYS 5 HG3 LYS 5 -5.126 29.943 21.364 37 HG3 LYS 5 HG2 LYS 5 -5.720 30.925 20.030 38 HD2 LYS 5 HD3 LYS 5 -4.168 29.926 18.490 39 HD3 LYS 5 HD2 LYS 5 -3.288 29.130 19.795 40 HE2 LYS 5 HE3 LYS 5 -4.721 27.475 18.805 41 HE3 LYS 5 HE2 LYS 5 -5.409 27.908 20.372 42 HZ1 LYS 5 HZ1 LYS 5 -7.199 27.956 18.897 43 HZ2 LYS 5 HZ2 LYS 5 -6.309 28.739 17.679 44 HZ3 LYS 5 HZ3 LYS 5 -6.772 29.589 19.076 45 H LEU 6 H LEU 6 -2.800 32.507 23.610 46 HA LEU 6 HA LEU 6 -1.065 34.595 22.724 47 HB2 LEU 6 HB3 LEU 6 -2.210 34.059 25.476 48 HB3 LEU 6 HB2 LEU 6 -1.479 35.569 24.941 49 HG LEU 6 HG LEU 6 -3.956 34.301 23.718 50 HD11 LEU 6 HD11 LEU 6 -4.160 35.249 26.073 51 HD12 LEU 6 HD12 LEU 6 -5.235 35.956 24.866 52 HD13 LEU 6 HD13 LEU 6 -3.786 36.824 25.374 53 HD21 LEU 6 HD21 LEU 6 -2.956 35.599 22.004 54 HD22 LEU 6 HD22 LEU 6 -2.430 36.849 23.134 55 HD23 LEU 6 HD23 LEU 6 -4.140 36.694 22.723 56 H ILE 7 H ILE 7 -0.433 31.587 24.214 57 HA ILE 7 HA ILE 7 1.742 32.222 25.890 58 HB ILE 7 HB ILE 7 1.203 29.681 24.323 59 HG12 ILE 7 HG13 ILE 7 0.628 30.327 27.232 60 HG13 ILE 7 HG12 ILE 7 -0.576 30.469 25.954 61 HG21 ILE 7 HG21 ILE 7 2.629 28.682 26.218 62 HG22 ILE 7 HG22 ILE 7 3.123 30.333 26.586 63 HG23 ILE 7 HG23 ILE 7 3.508 29.627 25.017 64 HD11 ILE 7 HD11 ILE 7 0.956 27.918 26.495 65 HD12 ILE 7 HD12 ILE 7 -0.471 28.120 25.477 66 HD13 ILE 7 HD13 ILE 7 -0.609 28.270 27.229 67 H THR 8 H THR 8 3.903 32.348 25.544 68 HA THR 8 HA THR 8 4.770 33.150 22.906 69 HB THR 8 HB THR 8 6.897 33.660 24.041 70 HG1 THR 8 HG1 THR 8 7.329 32.783 25.873 71 HG21 THR 8 HG21 THR 8 6.104 35.490 25.344 72 HG22 THR 8 HG22 THR 8 4.613 34.642 25.752 73 HG23 THR 8 HG23 THR 8 4.876 35.221 24.108 74 H ASP 9 H ASP 9 6.846 32.291 22.039 75 HA ASP 9 HA ASP 9 6.663 29.500 21.653 76 HB2 ASP 9 HB3 ASP 9 8.812 29.741 20.439 77 HB3 ASP 9 HB2 ASP 9 7.620 30.937 19.941 78 H THR 10 H THR 10 8.766 31.489 23.683 79 HA THR 10 HA THR 10 10.544 29.462 24.514 80 HB THR 10 HB THR 10 9.661 31.943 26.027 81 HG1 THR 10 HG1 THR 10 10.582 32.218 23.890 82 HG21 THR 10 HG21 THR 10 11.674 31.703 27.312 83 HG22 THR 10 HG22 THR 10 12.264 30.410 26.269 84 HG23 THR 10 HG23 THR 10 10.894 30.121 27.342 85 H GLU 11 H GLU 11 7.482 30.629 25.914 86 HA GLU 11 HA GLU 11 7.473 29.022 28.224 87 HB2 GLU 11 HB3 GLU 11 5.218 30.153 26.571 88 HB3 GLU 11 HB2 GLU 11 4.962 29.321 28.097 89 HG2 GLU 11 HG3 GLU 11 6.800 31.707 27.788 90 HG3 GLU 11 HG2 GLU 11 5.111 31.849 28.261 91 H TRP 12 H TRP 12 6.337 28.382 24.925 92 HA TRP 12 HA TRP 12 5.131 25.872 25.457 93 HB2 TRP 12 HB3 TRP 12 6.169 27.233 22.996 94 HB3 TRP 12 HB2 TRP 12 5.713 25.536 22.920 95 HD1 TRP 12 HD1 TRP 12 4.284 28.887 22.565 96 HE1 TRP 12 HE1 TRP 12 1.705 28.775 22.593 97 HE3 TRP 12 HE3 TRP 12 3.634 24.161 24.366 98 HZ2 TRP 12 HZ2 TRP 12 -0.361 26.911 23.288 99 HZ3 TRP 12 HZ3 TRP 12 1.363 23.243 24.699 100 HH2 TRP 12 HH2 TRP 12 -0.634 24.602 24.161 101 H ARG 13 H ARG 13 8.443 26.788 24.540 102 HA ARG 13 HA ARG 13 9.433 24.170 24.103 103 HB2 ARG 13 HB3 ARG 13 10.811 26.740 24.897 104 HB3 ARG 13 HB2 ARG 13 11.678 25.248 24.531 105 HG2 ARG 13 HG3 ARG 13 10.646 25.185 22.292 106 HG3 ARG 13 HG2 ARG 13 9.771 26.674 22.652 107 HD2 ARG 13 HD3 ARG 13 11.907 27.863 22.954 108 HD3 ARG 13 HD2 ARG 13 12.788 26.378 22.610 109 HE ARG 13 HE ARG 13 11.030 26.904 20.464 110 HH11 ARG 13 HH11 ARG 13 13.945 28.219 21.904 111 HH12 ARG 13 HH12 ARG 13 14.518 28.884 20.411 112 HH21 ARG 13 HH21 ARG 13 11.819 27.778 18.547 113 HH22 ARG 13 HH22 ARG 13 13.324 28.635 18.527 114 H GLN 14 H GLN 14 9.301 26.212 26.966 115 HA GLN 14 HA GLN 14 10.571 24.181 28.628 116 HB2 GLN 14 HB3 GLN 14 10.111 25.887 30.489 117 HB3 GLN 14 HB2 GLN 14 11.260 26.343 29.237 118 HG2 GLN 14 HG3 GLN 14 10.019 28.103 28.603 119 HG3 GLN 14 HG2 GLN 14 8.556 27.143 28.497 120 HE21 GLN 14 HE21 GLN 14 8.822 29.868 29.575 121 HE22 GLN 14 HE22 GLN 14 8.293 29.791 31.182 122 H ARG 15 H ARG 15 7.516 24.514 27.452 123 HA ARG 15 HA ARG 15 6.090 23.675 29.876 124 HB2 ARG 15 HB3 ARG 15 5.356 24.723 27.183 125 HB3 ARG 15 HB2 ARG 15 4.197 23.647 27.957 126 HG2 ARG 15 HG3 ARG 15 3.935 25.093 29.819 127 HG3 ARG 15 HG2 ARG 15 5.365 26.037 29.398 128 HD2 ARG 15 HD3 ARG 15 4.265 26.859 27.390 129 HD3 ARG 15 HD2 ARG 15 2.862 25.843 27.700 130 HE ARG 15 HE ARG 15 3.555 28.336 29.052 131 HH11 ARG 15 HH11 ARG 15 1.588 25.434 29.111 132 HH12 ARG 15 HH12 ARG 15 0.403 26.122 30.169 133 HH21 ARG 15 HH21 ARG 15 1.989 29.188 30.425 134 HH22 ARG 15 HH22 ARG 15 0.631 28.229 30.908 135 H LEU 16 H LEU 16 6.939 22.535 26.648 136 HA LEU 16 HA LEU 16 6.365 19.775 27.489 137 HB2 LEU 16 HB3 LEU 16 5.457 19.485 25.036 138 HB3 LEU 16 HB2 LEU 16 4.399 20.076 26.307 139 HG LEU 16 HG LEU 16 4.990 22.442 25.545 140 HD11 LEU 16 HD11 LEU 16 7.047 21.905 24.334 141 HD12 LEU 16 HD12 LEU 16 5.876 22.651 23.249 142 HD13 LEU 16 HD13 LEU 16 6.137 20.907 23.198 143 HD21 LEU 16 HD21 LEU 16 3.568 22.213 23.414 144 HD22 LEU 16 HD22 LEU 16 2.856 21.637 24.918 145 HD23 LEU 16 HD23 LEU 16 3.532 20.488 23.768 146 H SER 17 H SER 17 7.051 18.233 25.621 147 HA SER 17 HA SER 17 9.840 18.310 25.418 148 HB2 SER 17 HB3 SER 17 7.766 16.750 23.878 149 HB3 SER 17 HB2 SER 17 9.496 16.472 23.708 150 HG SER 17 HG SER 17 9.590 15.844 25.817 151 H SER 18 H SER 18 11.215 18.500 23.602 152 HA SER 18 HA SER 18 10.807 20.781 22.008 153 HB2 SER 18 HB3 SER 18 13.049 19.905 22.511 154 HB3 SER 18 HB2 SER 18 12.703 18.462 21.563 155 HG SER 18 HG SER 18 12.810 21.152 20.657 156 H GLU 19 H GLU 19 10.411 17.335 21.345 157 HA GLU 19 HA GLU 19 9.677 17.638 18.602 158 HB2 GLU 19 HB3 GLU 19 8.541 15.323 19.031 159 HB3 GLU 19 HB2 GLU 19 10.294 15.432 19.049 160 HG2 GLU 19 HG3 GLU 19 8.899 15.843 21.659 161 HG3 GLU 19 HG2 GLU 19 8.875 14.211 20.995 162 H GLU 20 H GLU 20 7.827 17.398 21.619 163 HA GLU 20 HA GLU 20 5.243 17.390 20.552 164 HB2 GLU 20 HB3 GLU 20 5.899 16.987 22.952 165 HB3 GLU 20 HB2 GLU 20 6.123 18.726 23.121 166 HG2 GLU 20 HG3 GLU 20 3.902 18.243 23.883 167 HG3 GLU 20 HG2 GLU 20 3.748 19.003 22.303 168 H TYR 21 H TYR 21 7.476 20.042 21.241 169 HA TYR 21 HA TYR 21 5.751 22.233 20.959 170 HB2 TYR 21 HB3 TYR 21 8.046 22.389 21.836 171 HB3 TYR 21 HB2 TYR 21 8.699 21.950 20.267 172 HD1 TYR 21 HD1 TYR 21 7.441 24.660 22.338 173 HD2 TYR 21 HD2 TYR 21 8.379 23.501 18.306 174 HE1 TYR 21 HE1 TYR 21 7.485 27.044 21.650 175 HE2 TYR 21 HE2 TYR 21 8.418 25.884 17.628 176 HH TYR 21 HH TYR 21 7.068 28.236 19.107 177 H ARG 22 H ARG 22 7.838 20.686 18.439 178 HA ARG 22 HA ARG 22 6.776 22.336 16.340 179 HB2 ARG 22 HB3 ARG 22 8.122 21.028 14.822 180 HB3 ARG 22 HB2 ARG 22 9.070 21.357 16.268 181 HG2 ARG 22 HG3 ARG 22 8.527 19.097 17.129 182 HG3 ARG 22 HG2 ARG 22 7.599 18.761 15.661 183 HD2 ARG 22 HD3 ARG 22 9.641 19.119 14.311 184 HD3 ARG 22 HD2 ARG 22 10.559 19.423 15.782 185 HE ARG 22 HE ARG 22 9.278 16.923 16.028 186 HH11 ARG 22 HH11 ARG 22 11.841 18.422 14.163 187 HH12 ARG 22 HH12 ARG 22 12.703 16.937 13.939 188 HH21 ARG 22 HH21 ARG 22 10.431 15.018 15.712 189 HH22 ARG 22 HH22 ARG 22 11.909 15.026 14.809 190 H VAL 23 H VAL 23 6.121 19.107 17.525 191 HA VAL 23 HA VAL 23 4.512 18.168 15.431 192 HB VAL 23 HB VAL 23 4.649 17.513 18.382 193 HG11 VAL 23 HG11 VAL 23 2.453 16.795 17.746 194 HG12 VAL 23 HG12 VAL 23 3.478 15.361 17.694 195 HG13 VAL 23 HG13 VAL 23 3.032 16.182 16.197 196 HG21 VAL 23 HG21 VAL 23 6.579 17.061 16.715 197 HG22 VAL 23 HG22 VAL 23 5.524 15.844 16.017 198 HG23 VAL 23 HG23 VAL 23 6.029 15.707 17.701 199 H LEU 24 H LEU 24 3.612 19.883 18.434 200 HA LEU 24 HA LEU 24 0.821 19.985 17.804 201 HB2 LEU 24 HB3 LEU 24 2.500 21.567 19.762 202 HB3 LEU 24 HB2 LEU 24 0.750 21.719 19.636 203 HG LEU 24 HG LEU 24 2.194 19.108 20.206 204 HD11 LEU 24 HD11 LEU 24 1.699 19.428 22.511 205 HD12 LEU 24 HD12 LEU 24 0.646 20.804 22.177 206 HD13 LEU 24 HD13 LEU 24 2.391 20.956 21.972 207 HD21 LEU 24 HD21 LEU 24 -0.710 19.952 20.101 208 HD22 LEU 24 HD22 LEU 24 -0.209 18.567 21.075 209 HD23 LEU 24 HD23 LEU 24 0.062 18.565 19.333 210 H ARG 25 H ARG 25 3.565 22.147 17.312 211 HA ARG 25 HA ARG 25 2.137 24.458 16.619 212 HB2 ARG 25 HB3 ARG 25 4.530 24.407 17.240 213 HB3 ARG 25 HB2 ARG 25 4.896 23.629 15.702 214 HG2 ARG 25 HG3 ARG 25 3.994 25.585 14.492 215 HG3 ARG 25 HG2 ARG 25 3.617 26.365 16.028 216 HD2 ARG 25 HD3 ARG 25 6.005 26.333 16.635 217 HD3 ARG 25 HD2 ARG 25 6.387 25.545 15.106 218 HE ARG 25 HE ARG 25 4.968 27.923 14.565 219 HH11 ARG 25 HH11 ARG 25 8.089 26.912 15.802 220 HH12 ARG 25 HH12 ARG 25 8.896 28.342 15.255 221 HH21 ARG 25 HH21 ARG 25 6.059 29.763 13.869 222 HH22 ARG 25 HH22 ARG 25 7.755 29.943 14.170 223 H GLU 26 H GLU 26 3.608 22.011 14.436 224 HA GLU 26 HA GLU 26 1.741 22.932 12.335 225 HB2 GLU 26 HB3 GLU 26 3.581 22.793 10.685 226 HB3 GLU 26 HB2 GLU 26 3.871 24.017 11.919 227 HG2 GLU 26 HG3 GLU 26 5.276 22.368 13.171 228 HG3 GLU 26 HG2 GLU 26 5.050 21.219 11.857 229 H ALA 27 H ALA 27 1.997 20.378 14.091 230 HA ALA 27 HA ALA 27 1.654 18.103 13.787 231 HB1 ALA 27 HB1 ALA 27 0.097 17.589 12.204 232 HB2 ALA 27 HB2 ALA 27 1.023 18.329 10.901 233 HB3 ALA 27 HB3 ALA 27 0.037 19.332 11.958 234 H GLY 28 H GLY 28 4.231 18.875 13.695 235 HA2 GLY 28 HA3 GLY 28 5.749 18.335 11.422 236 HA3 GLY 28 HA2 GLY 28 6.336 18.221 13.072 237 H THR 29 H THR 29 4.746 16.092 14.029 238 HA THR 29 HA THR 29 4.609 13.821 12.379 239 HB THR 29 HB THR 29 6.841 12.832 13.737 240 HG1 THR 29 HG1 THR 29 8.455 14.426 13.149 241 HG21 THR 29 HG21 THR 29 6.028 12.927 11.126 242 HG22 THR 29 HG22 THR 29 7.596 12.319 11.652 243 HG23 THR 29 HG23 THR 29 7.446 13.975 11.075 244 H GLU 30 H GLU 30 5.137 11.720 13.957 245 HA GLU 30 HA GLU 30 4.177 12.235 16.664 246 HB2 GLU 30 HB3 GLU 30 2.362 10.510 16.418 247 HB3 GLU 30 HB2 GLU 30 2.069 11.984 15.503 248 HG2 GLU 30 HG3 GLU 30 3.034 10.832 13.477 249 HG3 GLU 30 HG2 GLU 30 3.091 9.343 14.417 250 H ALA 31 H ALA 31 6.590 11.586 16.528 251 HA ALA 31 HA ALA 31 6.963 8.675 16.388 252 HB1 ALA 31 HB1 ALA 31 8.934 10.954 16.604 253 HB2 ALA 31 HB2 ALA 31 8.593 9.977 15.177 254 HB3 ALA 31 HB3 ALA 31 9.379 9.248 16.578 255 HA PRO 32 HA PRO 32 6.765 8.749 20.937 256 HB2 PRO 32 HB3 PRO 32 6.749 6.063 21.305 257 HB3 PRO 32 HB2 PRO 32 5.319 6.954 20.742 258 HG2 PRO 32 HG3 PRO 32 7.319 5.416 19.136 259 HG3 PRO 32 HG2 PRO 32 5.554 5.388 19.041 260 HD2 PRO 32 HD3 PRO 32 7.063 6.808 17.329 261 HD3 PRO 32 HD2 PRO 32 5.451 7.344 17.849 262 H HIS 33 H HIS 33 8.066 7.005 22.545 263 HA HIS 33 HA HIS 33 10.089 6.514 23.490 264 HB2 HIS 33 HB3 HIS 33 10.866 6.164 20.589 265 HB3 HIS 33 HB2 HIS 33 11.899 5.724 21.949 266 HD1 HIS 33 HD1 HIS 33 11.160 3.705 23.419 267 HD2 HIS 33 HD2 HIS 33 8.629 4.461 20.201 268 HE1 HIS 33 HE1 HIS 33 9.643 1.687 23.213 269 HE2 HIS 33 HE2 HIS 33 8.095 2.129 21.249 270 H THR 34 H THR 34 9.426 9.233 23.120 271 HA THR 34 HA THR 34 12.089 10.471 22.728 272 HB THR 34 HB THR 34 10.852 12.572 22.262 273 HG1 THR 34 HG1 THR 34 8.911 12.327 23.157 274 HG21 THR 34 HG21 THR 34 10.182 11.970 20.009 275 HG22 THR 34 HG22 THR 34 10.000 10.279 20.477 276 HG23 THR 34 HG23 THR 34 11.601 11.018 20.446 277 H GLY 35 H GLY 35 10.605 9.269 25.180 278 HA2 GLY 35 HA3 GLY 35 11.610 11.075 27.120 279 HA3 GLY 35 HA2 GLY 35 9.850 11.185 27.022 280 H GLU 36 H GLU 36 11.878 9.980 28.996 281 HA GLU 36 HA GLU 36 11.406 7.171 29.021 282 HB2 GLU 36 HB3 GLU 36 12.598 7.210 31.107 283 HB3 GLU 36 HB2 GLU 36 13.347 8.337 29.978 284 HG2 GLU 36 HG3 GLU 36 12.130 10.216 31.049 285 HG3 GLU 36 HG2 GLU 36 11.443 9.088 32.211 286 H TYR 37 H TYR 37 9.636 9.875 30.193 287 HA TYR 37 HA TYR 37 8.046 8.384 32.102 288 HB2 TYR 37 HB3 TYR 37 7.812 11.208 31.030 289 HB3 TYR 37 HB2 TYR 37 6.762 10.531 32.276 290 HD1 TYR 37 HD1 TYR 37 10.152 11.710 31.486 291 HD2 TYR 37 HD2 TYR 37 7.641 9.961 34.501 292 HE1 TYR 37 HE1 TYR 37 11.863 12.218 33.207 293 HE2 TYR 37 HE2 TYR 37 9.352 10.470 36.221 294 HH TYR 37 HH TYR 37 11.633 12.597 35.973 295 H THR 38 H THR 38 7.788 6.913 29.993 296 HA THR 38 HA THR 38 5.013 7.270 29.171 297 HB THR 38 HB THR 38 6.340 8.385 27.390 298 HG1 THR 38 HG1 THR 38 5.467 7.036 25.686 299 HG21 THR 38 HG21 THR 38 7.428 5.690 26.608 300 HG22 THR 38 HG22 THR 38 8.318 6.703 27.744 301 HG23 THR 38 HG23 THR 38 7.977 7.293 26.117 302 H ASN 39 H ASN 39 4.465 5.252 27.655 303 HA ASN 39 HA ASN 39 4.101 2.988 27.605 304 HB2 ASN 39 HB3 ASN 39 6.581 3.199 26.887 305 HB3 ASN 39 HB2 ASN 39 6.948 2.601 28.504 306 HD21 ASN 39 HD21 ASN 39 7.653 0.481 27.930 307 HD22 ASN 39 HD22 ASN 39 6.642 -0.657 27.179 308 H THR 40 H THR 40 2.656 2.956 29.338 309 HA THR 40 HA THR 40 3.711 1.671 31.761 310 HB THR 40 HB THR 40 3.462 4.045 32.321 311 HG1 THR 40 HG1 THR 40 2.408 3.641 34.146 312 HG21 THR 40 HG21 THR 40 1.629 4.422 30.562 313 HG22 THR 40 HG22 THR 40 1.418 5.239 32.111 314 HG23 THR 40 HG23 THR 40 0.506 3.771 31.757 315 H THR 41 H THR 41 2.152 0.437 32.935 316 HA THR 41 HA THR 41 0.223 -0.850 31.197 317 HB THR 41 HB THR 41 -0.088 -2.400 33.096 318 HG1 THR 41 HG1 THR 41 1.437 -2.024 34.867 319 HG21 THR 41 HG21 THR 41 2.355 -3.144 33.216 320 HG22 THR 41 HG22 THR 41 2.731 -1.725 32.239 321 HG23 THR 41 HG23 THR 41 1.673 -2.982 31.597 322 H THR 42 H THR 42 0.020 1.866 33.138 323 HA THR 42 HA THR 42 -2.351 1.561 34.584 324 HB THR 42 HB THR 42 -1.419 4.069 33.182 325 HG1 THR 42 HG1 THR 42 0.192 3.986 34.499 326 HG21 THR 42 HG21 THR 42 -2.434 4.973 35.454 327 HG22 THR 42 HG22 THR 42 -3.365 3.477 35.386 328 HG23 THR 42 HG23 THR 42 -3.479 4.648 34.073 329 H GLU 43 H GLU 43 -4.459 1.753 34.117 330 HA GLU 43 HA GLU 43 -5.238 1.995 31.271 331 HB2 GLU 43 HB3 GLU 43 -6.559 0.363 33.465 332 HB3 GLU 43 HB2 GLU 43 -7.152 0.518 31.812 333 HG2 GLU 43 HG3 GLU 43 -5.040 -0.467 30.973 334 HG3 GLU 43 HG2 GLU 43 -4.478 -0.653 32.633 335 H GLY 44 H GLY 44 -4.892 4.256 32.698 336 HA2 GLY 44 HA3 GLY 44 -7.459 5.078 33.822 337 HA3 GLY 44 HA2 GLY 44 -5.960 5.983 33.880 338 H ILE 45 H ILE 45 -6.021 7.799 32.745 339 HA ILE 45 HA ILE 45 -7.551 7.851 30.210 340 HB ILE 45 HB ILE 45 -7.414 9.994 32.354 341 HG12 ILE 45 HG13 ILE 45 -9.890 8.555 31.359 342 HG13 ILE 45 HG12 ILE 45 -8.917 7.873 32.658 343 HG21 ILE 45 HG21 ILE 45 -8.877 11.306 30.951 344 HG22 ILE 45 HG22 ILE 45 -9.046 9.987 29.794 345 HG23 ILE 45 HG23 ILE 45 -7.502 10.829 29.951 346 HD11 ILE 45 HD11 ILE 45 -10.413 10.489 32.625 347 HD12 ILE 45 HD12 ILE 45 -9.116 10.179 33.785 348 HD13 ILE 45 HD13 ILE 45 -10.554 9.158 33.772 349 H TYR 46 H TYR 46 -6.606 8.807 28.514 350 HA TYR 46 HA TYR 46 -3.810 9.435 28.610 351 HB2 TYR 46 HB3 TYR 46 -5.953 9.314 26.528 352 HB3 TYR 46 HB2 TYR 46 -4.532 10.285 26.162 353 HD1 TYR 46 HD1 TYR 46 -5.245 6.928 27.743 354 HD2 TYR 46 HD2 TYR 46 -2.885 9.184 24.948 355 HE1 TYR 46 HE1 TYR 46 -4.000 4.875 27.137 356 HE2 TYR 46 HE2 TYR 46 -1.635 7.126 24.348 357 HH TYR 46 HH TYR 46 -1.922 4.205 26.167 358 H SER 47 H SER 47 -2.832 11.450 28.563 359 HA SER 47 HA SER 47 -4.597 13.775 28.460 360 HB2 SER 47 HB3 SER 47 -3.452 14.804 30.391 361 HB3 SER 47 HB2 SER 47 -4.349 13.353 30.815 362 HG SER 47 HG SER 47 -2.116 13.558 31.624 363 H CYS 48 H CYS 48 -3.928 15.302 27.196 364 HA CYS 48 HA CYS 48 -1.741 15.281 25.519 365 HB2 CYS 48 HB3 CYS 48 -3.880 16.966 25.945 366 HB3 CYS 48 HB2 CYS 48 -2.548 17.984 26.439 367 H ARG 49 H ARG 49 0.381 15.601 25.803 368 HA ARG 49 HA ARG 49 1.551 16.024 28.347 369 HB2 ARG 49 HB3 ARG 49 2.726 14.918 26.450 370 HB3 ARG 49 HB2 ARG 49 2.783 16.461 25.605 371 HG2 ARG 49 HG3 ARG 49 4.923 16.160 26.679 372 HG3 ARG 49 HG2 ARG 49 4.058 17.398 27.586 373 HD2 ARG 49 HD3 ARG 49 3.407 15.753 29.276 374 HD3 ARG 49 HD2 ARG 49 4.161 14.462 28.346 375 HE ARG 49 HE ARG 49 6.137 16.376 28.805 376 HH11 ARG 49 HH11 ARG 49 4.116 14.259 30.735 377 HH12 ARG 49 HH12 ARG 49 5.278 14.124 32.012 378 HH21 ARG 49 HH21 ARG 49 7.619 16.169 30.484 379 HH22 ARG 49 HH22 ARG 49 7.246 15.197 31.869 380 H ALA 50 H ALA 50 0.686 18.127 25.702 381 HA ALA 50 HA ALA 50 1.986 20.498 26.434 382 HB1 ALA 50 HB1 ALA 50 -0.693 20.507 25.101 383 HB2 ALA 50 HB2 ALA 50 0.679 19.744 24.291 384 HB3 ALA 50 HB3 ALA 50 0.757 21.448 24.718 385 H CYS 51 H CYS 51 -1.395 19.514 27.064 386 HA CYS 51 HA CYS 51 -1.554 21.666 29.096 387 HB2 CYS 51 HB3 CYS 51 -4.134 21.362 28.540 388 HB3 CYS 51 HB2 CYS 51 -3.101 22.411 27.577 389 H GLY 52 H GLY 52 -2.552 18.370 28.317 390 HA2 GLY 52 HA3 GLY 52 -2.501 16.638 29.974 391 HA3 GLY 52 HA2 GLY 52 -2.860 17.847 31.201 392 H THR 53 H THR 53 -4.691 18.163 28.314 393 HA THR 53 HA THR 53 -7.183 17.707 29.655 394 HB THR 53 HB THR 53 -7.659 17.523 26.878 395 HG1 THR 53 HG1 THR 53 -5.662 19.423 27.397 396 HG21 THR 53 HG21 THR 53 -8.772 18.939 28.679 397 HG22 THR 53 HG22 THR 53 -8.585 19.685 27.092 398 HG23 THR 53 HG23 THR 53 -7.481 20.108 28.403 399 H GLU 54 H GLU 54 -8.745 16.020 29.316 400 HA GLU 54 HA GLU 54 -7.540 13.429 28.968 401 HB2 GLU 54 HB3 GLU 54 -10.447 14.170 29.375 402 HB3 GLU 54 HB2 GLU 54 -9.766 12.557 29.529 403 HG2 GLU 54 HG3 GLU 54 -8.230 13.594 31.322 404 HG3 GLU 54 HG2 GLU 54 -9.341 14.951 31.262 405 H LEU 55 H LEU 55 -6.849 14.043 26.747 406 HA LEU 55 HA LEU 55 -8.569 14.435 24.574 407 HB2 LEU 55 HB3 LEU 55 -5.789 13.373 24.927 408 HB3 LEU 55 HB2 LEU 55 -6.550 13.196 23.353 409 HG LEU 55 HG LEU 55 -6.836 15.604 23.155 410 HD11 LEU 55 HD11 LEU 55 -7.343 16.097 25.528 411 HD12 LEU 55 HD12 LEU 55 -6.120 17.176 24.874 412 HD13 LEU 55 HD13 LEU 55 -5.643 15.848 25.916 413 HD21 LEU 55 HD21 LEU 55 -4.580 16.298 23.004 414 HD22 LEU 55 HD22 LEU 55 -4.559 14.554 22.730 415 HD23 LEU 55 HD23 LEU 55 -4.080 15.211 24.299 416 H PHE 56 H PHE 56 -7.467 11.418 26.063 417 HA PHE 56 HA PHE 56 -9.660 10.003 24.732 418 HB2 PHE 56 HB3 PHE 56 -6.776 9.078 24.626 419 HB3 PHE 56 HB2 PHE 56 -8.163 8.114 24.126 420 HD1 PHE 56 HD1 PHE 56 -5.978 10.935 23.290 421 HD2 PHE 56 HD2 PHE 56 -9.508 8.766 22.155 422 HE1 PHE 56 HE1 PHE 56 -5.929 12.021 21.061 423 HE2 PHE 56 HE2 PHE 56 -9.459 9.852 19.927 424 HZ PHE 56 HZ PHE 56 -7.670 11.479 19.379 425 H ARG 57 H ARG 57 -10.004 7.782 25.724 426 HA ARG 57 HA ARG 57 -9.034 7.679 28.505 427 HB2 ARG 57 HB3 ARG 57 -11.265 6.810 29.182 428 HB3 ARG 57 HB2 ARG 57 -11.333 8.466 28.592 429 HG2 ARG 57 HG3 ARG 57 -12.088 7.662 26.388 430 HG3 ARG 57 HG2 ARG 57 -12.000 5.998 26.960 431 HD2 ARG 57 HD3 ARG 57 -14.289 6.623 27.169 432 HD3 ARG 57 HD2 ARG 57 -13.630 6.677 28.797 433 HE ARG 57 HE ARG 57 -13.379 9.238 27.722 434 HH11 ARG 57 HH11 ARG 57 -15.898 7.013 28.716 435 HH12 ARG 57 HH12 ARG 57 -17.042 8.270 29.052 436 HH21 ARG 57 HH21 ARG 57 -14.953 10.843 28.079 437 HH22 ARG 57 HH22 ARG 57 -16.508 10.411 28.699 438 H SER 58 H SER 58 -8.793 5.610 29.370 439 HA SER 58 HA SER 58 -7.667 3.720 27.644 440 HB2 SER 58 HB3 SER 58 -7.459 2.312 29.627 441 HB3 SER 58 HB2 SER 58 -7.021 3.977 29.992 442 HG SER 58 HG SER 58 -9.015 4.265 30.944 443 H THR 59 H THR 59 -10.997 4.109 28.543 444 HA THR 59 HA THR 59 -11.644 1.302 28.094 445 HB THR 59 HB THR 59 -12.989 2.578 29.685 446 HG1 THR 59 HG1 THR 59 -14.219 1.035 28.890 447 HG21 THR 59 HG21 THR 59 -12.841 4.774 28.639 448 HG22 THR 59 HG22 THR 59 -14.534 4.325 28.855 449 HG23 THR 59 HG23 THR 59 -13.784 4.207 27.260 450 H GLU 60 H GLU 60 -11.615 4.255 26.235 451 HA GLU 60 HA GLU 60 -12.828 2.883 23.934 452 HB2 GLU 60 HB3 GLU 60 -12.713 5.673 24.871 453 HB3 GLU 60 HB2 GLU 60 -12.324 5.513 23.163 454 HG2 GLU 60 HG3 GLU 60 -14.691 5.806 23.247 455 HG3 GLU 60 HG2 GLU 60 -14.451 4.083 22.959 456 H LYS 61 H LYS 61 -10.073 2.425 25.013 457 HA LYS 61 HA LYS 61 -8.471 3.248 22.671 458 HB2 LYS 61 HB3 LYS 61 -7.604 4.003 24.842 459 HB3 LYS 61 HB2 LYS 61 -7.568 2.340 25.417 460 HG2 LYS 61 HG3 LYS 61 -5.950 1.769 23.631 461 HG3 LYS 61 HG2 LYS 61 -5.980 3.439 23.076 462 HD2 LYS 61 HD3 LYS 61 -4.052 3.278 24.463 463 HD3 LYS 61 HD2 LYS 61 -5.271 4.080 25.450 464 HE2 LYS 61 HE3 LYS 61 -5.811 1.983 26.573 465 HE3 LYS 61 HE2 LYS 61 -4.707 1.101 25.521 466 HZ1 LYS 61 HZ1 LYS 61 -3.035 1.601 26.861 467 HZ2 LYS 61 HZ2 LYS 61 -4.122 2.345 27.932 468 HZ3 LYS 61 HZ3 LYS 61 -3.345 3.263 26.733 469 H PHE 62 H PHE 62 -7.785 1.728 21.288 470 HA PHE 62 HA PHE 62 -8.718 -0.938 21.372 471 HB2 PHE 62 HB3 PHE 62 -8.123 0.339 19.299 472 HB3 PHE 62 HB2 PHE 62 -6.423 0.143 19.722 473 HD1 PHE 62 HD1 PHE 62 -9.542 -1.695 18.867 474 HD2 PHE 62 HD2 PHE 62 -5.280 -1.931 19.351 475 HE1 PHE 62 HE1 PHE 62 -9.548 -3.949 17.833 476 HE2 PHE 62 HE2 PHE 62 -5.287 -4.184 18.316 477 HZ PHE 62 HZ PHE 62 -7.421 -5.194 17.557 478 H ASN 63 H ASN 63 -5.623 0.520 22.219 479 HA ASN 63 HA ASN 63 -4.037 -0.184 23.757 480 HB2 ASN 63 HB3 ASN 63 -5.889 -1.925 24.534 481 HB3 ASN 63 HB2 ASN 63 -4.859 -3.062 23.667 482 HD21 ASN 63 HD21 ASN 63 -3.932 -4.123 25.501 483 HD22 ASN 63 HD22 ASN 63 -2.961 -3.319 26.637 484 H SER 64 H SER 64 -2.257 -2.162 23.694 485 HA SER 64 HA SER 64 -0.518 -3.079 22.504 486 HB2 SER 64 HB3 SER 64 -2.451 -4.273 21.306 487 HB3 SER 64 HB2 SER 64 -2.277 -3.053 20.048 488 HG SER 64 HG SER 64 -0.858 -4.498 19.376 489 H HIS 65 H HIS 65 0.857 -1.355 22.580 490 HA HIS 65 HA HIS 65 0.605 1.056 21.176 491 HB2 HIS 65 HB3 HIS 65 2.142 0.615 23.113 492 HB3 HIS 65 HB2 HIS 65 3.195 -0.268 22.013 493 HD1 HIS 65 HD1 HIS 65 4.342 1.136 20.080 494 HD2 HIS 65 HD2 HIS 65 2.310 3.418 22.915 495 HE1 HIS 65 HE1 HIS 65 5.102 3.530 19.752 496 HE2 HIS 65 HE2 HIS 65 3.871 4.934 21.473 497 H CYS 66 H CYS 66 2.472 -1.868 20.344 498 HA CYS 66 HA CYS 66 3.645 -2.408 18.423 499 HB2 CYS 66 HB3 CYS 66 0.829 -1.823 17.501 500 HB3 CYS 66 HB2 CYS 66 2.032 -2.608 16.478 501 HG CYS 66 HG CYS 66 1.670 -4.716 17.721 502 H GLY 67 H GLY 67 1.662 -0.194 16.508 503 HA2 GLY 67 HA3 GLY 67 3.981 1.595 16.124 504 HA3 GLY 67 HA2 GLY 67 3.139 0.914 14.734 505 H TRP 68 H TRP 68 0.888 1.455 14.436 506 HA TRP 68 HA TRP 68 0.028 3.938 15.774 507 HB2 TRP 68 HB3 TRP 68 -0.194 3.295 12.817 508 HB3 TRP 68 HB2 TRP 68 -0.894 4.708 13.605 509 HD1 TRP 68 HD1 TRP 68 0.776 6.547 14.543 510 HE1 TRP 68 HE1 TRP 68 3.202 7.151 13.903 511 HE3 TRP 68 HE3 TRP 68 2.075 2.320 12.010 512 HZ2 TRP 68 HZ2 TRP 68 5.404 5.977 12.498 513 HZ3 TRP 68 HZ3 TRP 68 4.339 2.083 11.030 514 HH2 TRP 68 HH2 TRP 68 6.004 3.905 11.272 515 HA PRO 69 HA PRO 69 -3.242 0.567 15.970 516 HB2 PRO 69 HB3 PRO 69 -3.840 0.811 18.609 517 HB3 PRO 69 HB2 PRO 69 -2.484 -0.177 18.027 518 HG2 PRO 69 HG3 PRO 69 -2.459 2.601 19.127 519 HG3 PRO 69 HG2 PRO 69 -1.384 1.240 19.491 520 HD2 PRO 69 HD3 PRO 69 -0.661 3.208 17.772 521 HD3 PRO 69 HD2 PRO 69 -0.139 1.525 17.548 522 H SER 70 H SER 70 -5.477 0.822 16.016 523 HA SER 70 HA SER 70 -6.473 3.491 15.669 524 HB2 SER 70 HB3 SER 70 -8.582 2.433 15.181 525 HB3 SER 70 HB2 SER 70 -7.308 1.485 14.419 526 HG SER 70 HG SER 70 -7.376 0.152 16.343 527 H PHE 71 H PHE 71 -8.307 4.364 16.835 528 HA PHE 71 HA PHE 71 -8.554 3.487 19.657 529 HB2 PHE 71 HB3 PHE 71 -8.208 6.352 18.720 530 HB3 PHE 71 HB2 PHE 71 -8.534 5.843 20.371 531 HD1 PHE 71 HD1 PHE 71 -6.009 6.118 17.736 532 HD2 PHE 71 HD2 PHE 71 -6.832 4.587 21.663 533 HE1 PHE 71 HE1 PHE 71 -3.579 5.808 18.123 534 HE2 PHE 71 HE2 PHE 71 -4.403 4.274 22.050 535 HZ PHE 71 HZ PHE 71 -2.776 4.886 20.281 536 H PHE 72 H PHE 72 -10.580 3.983 20.585 537 HA PHE 72 HA PHE 72 -12.758 4.210 18.662 538 HB2 PHE 72 HB3 PHE 72 -12.848 3.914 21.673 539 HB3 PHE 72 HB2 PHE 72 -14.219 3.774 20.589 540 HD1 PHE 72 HD1 PHE 72 -10.950 2.221 21.514 541 HD2 PHE 72 HD2 PHE 72 -14.684 1.741 19.457 542 HE1 PHE 72 HE1 PHE 72 -10.487 -0.193 21.242 543 HE2 PHE 72 HE2 PHE 72 -14.216 -0.676 19.175 544 HZ PHE 72 HZ PHE 72 -12.116 -1.645 20.068 545 H SER 73 H SER 73 -14.688 5.635 19.910 546 HA SER 73 HA SER 73 -14.165 8.291 19.369 547 HB2 SER 73 HB3 SER 73 -16.406 7.259 19.751 548 HB3 SER 73 HB2 SER 73 -16.090 7.313 21.472 549 HG SER 73 HG SER 73 -16.437 9.389 21.459 550 HA PRO 74 HA PRO 74 -11.656 9.633 22.852 551 HB2 PRO 74 HB3 PRO 74 -12.048 12.332 22.733 552 HB3 PRO 74 HB2 PRO 74 -11.028 11.456 21.574 553 HG2 PRO 74 HG3 PRO 74 -13.852 12.377 21.284 554 HG3 PRO 74 HG2 PRO 74 -12.512 12.477 20.128 555 HD2 PRO 74 HD3 PRO 74 -14.418 10.561 19.955 556 HD3 PRO 74 HD2 PRO 74 -12.732 10.262 19.476 557 H LEU 75 H LEU 75 -12.054 11.612 24.650 558 HA LEU 75 HA LEU 75 -13.721 10.667 26.600 559 HB2 LEU 75 HB3 LEU 75 -12.422 13.243 25.991 560 HB3 LEU 75 HB2 LEU 75 -13.825 13.399 27.038 561 HG LEU 75 HG LEU 75 -11.626 13.163 28.186 562 HD11 LEU 75 HD11 LEU 75 -12.465 12.143 30.016 563 HD12 LEU 75 HD12 LEU 75 -13.240 10.847 29.091 564 HD13 LEU 75 HD13 LEU 75 -13.949 12.463 29.117 565 HD21 LEU 75 HD21 LEU 75 -10.420 11.122 28.305 566 HD22 LEU 75 HD22 LEU 75 -10.740 11.378 26.592 567 HD23 LEU 75 HD23 LEU 75 -11.714 10.226 27.508 568 H ALA 76 H ALA 76 -14.567 13.513 24.606 569 HA ALA 76 HA ALA 76 -17.240 12.573 24.107 570 HB1 ALA 76 HB1 ALA 76 -17.111 13.512 26.566 571 HB2 ALA 76 HB2 ALA 76 -18.493 13.882 25.535 572 HB3 ALA 76 HB3 ALA 76 -17.207 15.070 25.746 573 H GLY 77 H GLY 77 -14.709 14.056 22.949 574 HA2 GLY 77 HA3 GLY 77 -14.452 15.311 21.011 575 HA3 GLY 77 HA2 GLY 77 -16.189 15.586 20.991 576 H ASP 78 H ASP 78 -15.108 16.366 24.049 577 HA ASP 78 HA ASP 78 -15.207 19.223 23.467 578 HB2 ASP 78 HB3 ASP 78 -15.153 17.722 26.086 579 HB3 ASP 78 HB2 ASP 78 -15.340 19.459 25.900 580 H LYS 79 H LYS 79 -12.967 16.750 24.471 581 HA LYS 79 HA LYS 79 -10.930 18.700 25.225 582 HB2 LYS 79 HB3 LYS 79 -10.369 15.753 25.033 583 HB3 LYS 79 HB2 LYS 79 -9.673 16.949 26.122 584 HG2 LYS 79 HG3 LYS 79 -12.547 15.957 26.269 585 HG3 LYS 79 HG2 LYS 79 -11.238 15.360 27.275 586 HD2 LYS 79 HD3 LYS 79 -10.932 17.559 28.272 587 HD3 LYS 79 HD2 LYS 79 -12.142 18.250 27.187 588 HE2 LYS 79 HE3 LYS 79 -13.868 16.803 28.142 589 HE3 LYS 79 HE2 LYS 79 -12.678 16.035 29.187 590 HZ1 LYS 79 HZ1 LYS 79 -13.776 18.765 29.305 591 HZ2 LYS 79 HZ2 LYS 79 -12.236 18.452 29.950 592 HZ3 LYS 79 HZ3 LYS 79 -13.596 17.632 30.553 593 H VAL 80 H VAL 80 -11.956 16.929 22.488 594 HA VAL 80 HA VAL 80 -9.586 17.797 20.968 595 HB VAL 80 HB VAL 80 -9.619 15.662 19.691 596 HG11 VAL 80 HG11 VAL 80 -8.699 14.236 21.571 597 HG12 VAL 80 HG12 VAL 80 -9.188 15.522 22.677 598 HG13 VAL 80 HG13 VAL 80 -7.987 15.843 21.425 599 HG21 VAL 80 HG21 VAL 80 -11.412 14.612 21.900 600 HG22 VAL 80 HG22 VAL 80 -10.885 13.763 20.449 601 HG23 VAL 80 HG23 VAL 80 -12.026 15.102 20.320 602 H ILE 81 H ILE 81 -9.979 18.277 18.772 603 HA ILE 81 HA ILE 81 -12.837 18.335 17.997 604 HB ILE 81 HB ILE 81 -10.771 20.493 18.039 605 HG12 ILE 81 HG13 ILE 81 -12.763 21.914 18.405 606 HG13 ILE 81 HG12 ILE 81 -13.809 20.529 18.122 607 HG21 ILE 81 HG21 ILE 81 -11.816 21.756 16.191 608 HG22 ILE 81 HG22 ILE 81 -12.822 20.359 15.805 609 HG23 ILE 81 HG23 ILE 81 -11.070 20.266 15.608 610 HD11 ILE 81 HD11 ILE 81 -13.398 19.627 20.189 611 HD12 ILE 81 HD12 ILE 81 -13.027 21.303 20.597 612 HD13 ILE 81 HD13 ILE 81 -11.722 20.179 20.221 613 H GLU 82 H GLU 82 -13.380 17.702 16.015 614 HA GLU 82 HA GLU 82 -11.238 16.625 14.277 615 HB2 GLU 82 HB3 GLU 82 -14.100 15.698 14.109 616 HB3 GLU 82 HB2 GLU 82 -12.636 14.855 13.626 617 HG2 GLU 82 HG3 GLU 82 -12.033 14.788 16.127 618 HG3 GLU 82 HG2 GLU 82 -13.693 15.288 16.427 619 H ARG 83 H ARG 83 -10.962 17.739 12.450 620 HA ARG 83 HA ARG 83 -13.301 18.971 11.132 621 HB2 ARG 83 HB3 ARG 83 -10.641 20.310 11.683 622 HB3 ARG 83 HB2 ARG 83 -11.871 20.953 10.594 623 HG2 ARG 83 HG3 ARG 83 -13.488 21.035 12.449 624 HG3 ARG 83 HG2 ARG 83 -12.273 20.373 13.545 625 HD2 ARG 83 HD3 ARG 83 -10.818 22.325 13.096 626 HD3 ARG 83 HD2 ARG 83 -12.055 22.992 12.034 627 HE ARG 83 HE ARG 83 -13.226 22.483 14.545 628 HH11 ARG 83 HH11 ARG 83 -10.836 24.618 13.124 629 HH12 ARG 83 HH12 ARG 83 -11.128 25.890 14.263 630 HH21 ARG 83 HH21 ARG 83 -13.578 24.166 15.998 631 HH22 ARG 83 HH22 ARG 83 -12.667 25.635 15.875 632 H THR 84 H THR 84 -13.095 19.192 8.846 633 HA THR 84 HA THR 84 -11.205 17.293 7.686 634 HB THR 84 HB THR 84 -13.677 17.215 7.187 635 HG1 THR 84 HG1 THR 84 -13.073 16.311 5.422 636 HG21 THR 84 HG21 THR 84 -13.030 19.715 5.601 637 HG22 THR 84 HG22 THR 84 -14.095 19.634 7.006 638 HG23 THR 84 HG23 THR 84 -14.543 18.812 5.510 639 H ASP 85 H ASP 85 -9.736 17.808 6.064 640 HA ASP 85 HA ASP 85 -9.291 20.692 5.559 641 HB2 ASP 85 HB3 ASP 85 -7.670 19.817 7.226 642 HB3 ASP 85 HB2 ASP 85 -7.146 18.614 6.054 643 H THR 86 H THR 86 -9.549 21.068 3.476 644 HA THR 86 HA THR 86 -9.408 19.031 1.471 645 HB THR 86 HB THR 86 -9.594 22.005 0.979 646 HG1 THR 86 HG1 THR 86 -11.127 21.357 2.558 647 HG21 THR 86 HG21 THR 86 -10.708 21.368 -1.030 648 HG22 THR 86 HG22 THR 86 -10.905 19.705 -0.477 649 HG23 THR 86 HG23 THR 86 -9.304 20.308 -0.906 650 H SER 87 H SER 87 -7.183 18.521 2.126 651 HA SER 87 HA SER 87 -5.029 20.267 1.367 652 HB2 SER 87 HB3 SER 87 -5.087 17.300 1.963 653 HB3 SER 87 HB2 SER 87 -3.618 18.234 1.695 654 HG SER 87 HG SER 87 -4.103 18.094 3.909 655 H HIS 88 H HIS 88 -4.548 20.743 -0.654 656 HA HIS 88 HA HIS 88 -4.128 20.601 -2.887 657 HB2 HIS 88 HB3 HIS 88 -2.806 18.564 -2.118 658 HB3 HIS 88 HB2 HIS 88 -4.189 17.590 -2.617 659 HD1 HIS 88 HD1 HIS 88 -4.876 17.782 -5.206 660 HD2 HIS 88 HD2 HIS 88 -1.166 19.406 -4.218 661 HE1 HIS 88 HE1 HIS 88 -3.630 18.101 -7.388 662 HE2 HIS 88 HE2 HIS 88 -1.366 19.090 -6.803 663 H GLY 89 H GLY 89 -6.144 17.644 -2.521 664 HA2 GLY 89 HA3 GLY 89 -8.267 18.980 -4.081 665 HA3 GLY 89 HA2 GLY 89 -7.645 17.422 -4.609 666 H MET 90 H MET 90 -7.537 15.823 -2.554 667 HA MET 90 HA MET 90 -10.276 15.447 -1.765 668 HB2 MET 90 HB3 MET 90 -9.454 13.357 -0.744 669 HB3 MET 90 HB2 MET 90 -8.909 13.509 -2.411 670 HG2 MET 90 HG3 MET 90 -6.717 14.364 -1.591 671 HG3 MET 90 HG2 MET 90 -7.268 14.133 0.068 672 HE1 MET 90 HE1 MET 90 -6.000 11.168 -3.087 673 HE2 MET 90 HE2 MET 90 -6.430 12.870 -3.233 674 HE3 MET 90 HE3 MET 90 -7.697 11.646 -3.236 675 H VAL 91 H VAL 91 -10.797 14.944 0.535 676 HA VAL 91 HA VAL 91 -9.373 16.832 2.297 677 HB VAL 91 HB VAL 91 -11.477 17.096 3.535 678 HG11 VAL 91 HG11 VAL 91 -11.280 17.768 0.634 679 HG12 VAL 91 HG12 VAL 91 -11.385 18.822 2.042 680 HG13 VAL 91 HG13 VAL 91 -12.833 18.045 1.426 681 HG21 VAL 91 HG21 VAL 91 -12.351 14.786 2.870 682 HG22 VAL 91 HG22 VAL 91 -12.828 15.520 1.339 683 HG23 VAL 91 HG23 VAL 91 -13.529 16.098 2.851 684 H ARG 92 H ARG 92 -9.070 16.303 4.489 685 HA ARG 92 HA ARG 92 -9.527 13.502 5.271 686 HB2 ARG 92 HB3 ARG 92 -6.915 15.021 5.498 687 HB3 ARG 92 HB2 ARG 92 -7.247 13.485 6.292 688 HG2 ARG 92 HG3 ARG 92 -7.601 12.399 4.132 689 HG3 ARG 92 HG2 ARG 92 -7.397 13.940 3.298 690 HD2 ARG 92 HD3 ARG 92 -5.311 12.689 3.173 691 HD3 ARG 92 HD2 ARG 92 -5.084 14.090 4.216 692 HE ARG 92 HE ARG 92 -5.860 11.820 5.756 693 HH11 ARG 92 HH11 ARG 92 -3.110 13.164 4.048 694 HH12 ARG 92 HH12 ARG 92 -1.948 12.347 5.039 695 HH21 ARG 92 HH21 ARG 92 -4.314 10.774 7.017 696 HH22 ARG 92 HH22 ARG 92 -2.627 11.005 6.706 697 H THR 93 H THR 93 -9.943 13.241 7.488 698 HA THR 93 HA THR 93 -10.650 15.704 8.875 699 HB THR 93 HB THR 93 -10.959 12.865 9.867 700 HG1 THR 93 HG1 THR 93 -12.845 12.817 8.827 701 HG21 THR 93 HG21 THR 93 -12.882 14.022 11.111 702 HG22 THR 93 HG22 THR 93 -12.124 15.544 10.639 703 HG23 THR 93 HG23 THR 93 -11.250 14.404 11.661 704 H GLU 94 H GLU 94 -9.067 16.743 9.832 705 HA GLU 94 HA GLU 94 -6.781 15.374 10.982 706 HB2 GLU 94 HB3 GLU 94 -7.503 18.320 10.919 707 HB3 GLU 94 HB2 GLU 94 -5.966 17.653 11.463 708 HG2 GLU 94 HG3 GLU 94 -5.597 16.695 9.212 709 HG3 GLU 94 HG2 GLU 94 -7.119 17.395 8.670 710 H VAL 95 H VAL 95 -6.487 14.976 13.087 711 HA VAL 95 HA VAL 95 -8.647 15.698 14.942 712 HB VAL 95 HB VAL 95 -6.347 13.737 15.268 713 HG11 VAL 95 HG11 VAL 95 -7.877 12.956 17.215 714 HG12 VAL 95 HG12 VAL 95 -8.648 14.538 17.066 715 HG13 VAL 95 HG13 VAL 95 -6.934 14.426 17.462 716 HG21 VAL 95 HG21 VAL 95 -9.300 13.153 14.949 717 HG22 VAL 95 HG22 VAL 95 -7.958 12.011 14.877 718 HG23 VAL 95 HG23 VAL 95 -8.186 13.186 13.583 719 H ILE 96 H ILE 96 -8.393 17.337 16.258 720 HA ILE 96 HA ILE 96 -5.669 18.181 17.040 721 HB ILE 96 HB ILE 96 -6.453 20.508 17.013 722 HG12 ILE 96 HG13 ILE 96 -8.853 19.604 15.405 723 HG13 ILE 96 HG12 ILE 96 -8.956 19.735 17.158 724 HG21 ILE 96 HG21 ILE 96 -6.531 20.742 14.521 725 HG22 ILE 96 HG22 ILE 96 -6.670 18.984 14.406 726 HG23 ILE 96 HG23 ILE 96 -5.224 19.715 15.104 727 HD11 ILE 96 HD11 ILE 96 -8.618 21.881 15.119 728 HD12 ILE 96 HD12 ILE 96 -7.848 22.112 16.691 729 HD13 ILE 96 HD13 ILE 96 -9.589 21.863 16.590 730 H CYS 97 H CYS 97 -5.579 19.350 19.033 731 HA CYS 97 HA CYS 97 -7.394 18.274 21.041 732 HB2 CYS 97 HB3 CYS 97 -4.948 18.502 21.361 733 HB3 CYS 97 HB2 CYS 97 -5.118 20.237 21.338 734 H ALA 98 H ALA 98 -8.997 19.382 22.035 735 HA ALA 98 HA ALA 98 -10.224 21.537 20.746 736 HB1 ALA 98 HB1 ALA 98 -11.742 21.599 22.619 737 HB2 ALA 98 HB2 ALA 98 -10.590 20.729 23.633 738 HB3 ALA 98 HB3 ALA 98 -11.351 19.916 22.262 739 H ASN 99 H ASN 99 -7.636 21.571 23.047 740 HA ASN 99 HA ASN 99 -8.058 24.450 23.579 741 HB2 ASN 99 HB3 ASN 99 -6.313 24.072 25.364 742 HB3 ASN 99 HB2 ASN 99 -7.835 23.230 25.581 743 HD21 ASN 99 HD21 ASN 99 -7.615 21.093 26.153 744 HD22 ASN 99 HD22 ASN 99 -6.306 20.106 25.724 745 H CYS 100 H CYS 100 -5.728 22.134 22.326 746 HA CYS 100 HA CYS 100 -4.169 24.417 21.247 747 HB2 CYS 100 HB3 CYS 100 -2.090 23.138 21.586 748 HB3 CYS 100 HB2 CYS 100 -2.911 23.476 23.103 749 H GLU 101 H GLU 101 -2.793 23.804 19.351 750 HA GLU 101 HA GLU 101 -4.468 22.380 17.481 751 HB2 GLU 101 HB3 GLU 101 -1.922 23.971 17.207 752 HB3 GLU 101 HB2 GLU 101 -2.595 23.064 15.853 753 HG2 GLU 101 HG3 GLU 101 -4.665 24.299 15.957 754 HG3 GLU 101 HG2 GLU 101 -4.185 25.080 17.461 755 H SER 102 H SER 102 -4.183 20.326 18.711 756 HA SER 102 HA SER 102 -1.678 18.919 18.268 757 HB2 SER 102 HB3 SER 102 -4.285 17.959 19.458 758 HB3 SER 102 HB2 SER 102 -2.794 17.028 19.398 759 HG SER 102 HG SER 102 -3.000 19.599 20.578 760 H HIS 103 H HIS 103 -2.394 19.696 15.925 761 HA HIS 103 HA HIS 103 -4.103 17.886 14.478 762 HB2 HIS 103 HB3 HIS 103 -2.950 19.011 12.441 763 HB3 HIS 103 HB2 HIS 103 -4.016 19.983 13.439 764 HD1 HIS 103 HD1 HIS 103 -2.789 22.184 12.821 765 HD2 HIS 103 HD2 HIS 103 -0.309 19.377 14.660 766 HE1 HIS 103 HE1 HIS 103 -0.668 23.409 13.460 767 HE2 HIS 103 HE2 HIS 103 0.852 21.714 14.583 768 H LEU 104 H LEU 104 -1.584 16.900 15.966 769 HA LEU 104 HA LEU 104 0.194 15.901 13.954 770 HB2 LEU 104 HB3 LEU 104 1.161 14.604 15.809 771 HB3 LEU 104 HB2 LEU 104 0.933 16.299 16.216 772 HG LEU 104 HG LEU 104 -1.445 15.337 17.121 773 HD11 LEU 104 HD11 LEU 104 0.499 13.097 17.741 774 HD12 LEU 104 HD12 LEU 104 -0.706 12.983 16.463 775 HD13 LEU 104 HD13 LEU 104 -1.217 13.176 18.138 776 HD21 LEU 104 HD21 LEU 104 0.176 16.656 18.437 777 HD22 LEU 104 HD22 LEU 104 1.174 15.218 18.656 778 HD23 LEU 104 HD23 LEU 104 -0.436 15.292 19.375 779 H GLY 105 H GLY 105 -2.865 14.861 15.184 780 HA2 GLY 105 HA3 GLY 105 -2.516 12.184 13.987 781 HA3 GLY 105 HA2 GLY 105 -3.608 12.571 15.304 782 H HIS 106 H HIS 106 -4.421 11.225 13.030 783 HA HIS 106 HA HIS 106 -6.396 13.102 11.893 784 HB2 HIS 106 HB3 HIS 106 -4.733 11.075 10.378 785 HB3 HIS 106 HB2 HIS 106 -6.213 11.781 9.733 786 HD1 HIS 106 HD1 HIS 106 -2.803 12.865 11.029 787 HD2 HIS 106 HD2 HIS 106 -5.852 14.274 8.544 788 HE1 HIS 106 HE1 HIS 106 -1.927 14.980 9.946 789 HE2 HIS 106 HE2 HIS 106 -3.771 15.850 8.434 790 H VAL 107 H VAL 107 -8.366 11.963 11.123 791 HA VAL 107 HA VAL 107 -8.699 9.267 12.267 792 HB VAL 107 HB VAL 107 -9.570 10.905 13.881 793 HG11 VAL 107 HG11 VAL 107 -11.275 12.455 13.401 794 HG12 VAL 107 HG12 VAL 107 -11.679 11.672 11.875 795 HG13 VAL 107 HG13 VAL 107 -10.180 12.587 12.027 796 HG21 VAL 107 HG21 VAL 107 -11.598 9.186 12.441 797 HG22 VAL 107 HG22 VAL 107 -11.953 10.004 13.963 798 HG23 VAL 107 HG23 VAL 107 -10.679 8.785 13.893 799 H PHE 108 H PHE 108 -10.023 7.906 11.155 800 HA PHE 108 HA PHE 108 -11.080 8.919 8.574 801 HB2 PHE 108 HB3 PHE 108 -10.006 6.183 9.298 802 HB3 PHE 108 HB2 PHE 108 -10.792 6.570 7.767 803 HD1 PHE 108 HD1 PHE 108 -7.784 7.027 9.824 804 HD2 PHE 108 HD2 PHE 108 -9.741 8.100 6.154 805 HE1 PHE 108 HE1 PHE 108 -5.642 7.913 8.940 806 HE2 PHE 108 HE2 PHE 108 -7.599 8.984 5.270 807 HZ PHE 108 HZ PHE 108 -5.550 8.891 6.663 808 H ALA 109 H ALA 109 -13.177 8.661 8.139 809 HA ALA 109 HA ALA 109 -14.829 7.178 10.091 810 HB1 ALA 109 HB1 ALA 109 -16.674 8.621 8.902 811 HB2 ALA 109 HB2 ALA 109 -15.303 9.615 8.413 812 HB3 ALA 109 HB3 ALA 109 -15.637 9.354 10.125 813 H GLY 110 H GLY 110 -16.368 5.720 9.401 814 HA2 GLY 110 HA3 GLY 110 -17.469 4.247 7.996 815 HA3 GLY 110 HA2 GLY 110 -16.988 5.256 6.637 816 H GLU 111 H GLU 111 -14.577 4.054 8.839 817 HA GLU 111 HA GLU 111 -13.131 2.735 6.755 818 HB2 GLU 111 HB3 GLU 111 -12.098 3.879 8.740 819 HB3 GLU 111 HB2 GLU 111 -12.673 2.545 9.740 820 HG2 GLU 111 HG3 GLU 111 -10.362 2.116 9.102 821 HG3 GLU 111 HG2 GLU 111 -11.407 0.956 8.292 822 H GLY 112 H GLY 112 -15.429 1.684 9.183 823 HA2 GLY 112 HA3 GLY 112 -16.605 -0.332 9.253 824 HA3 GLY 112 HA2 GLY 112 -15.556 -0.960 7.987 825 H TYR 113 H TYR 113 -14.570 0.491 11.053 826 HA TYR 113 HA TYR 113 -12.924 -1.822 11.665 827 HB2 TYR 113 HB3 TYR 113 -12.279 0.665 11.980 828 HB3 TYR 113 HB2 TYR 113 -13.276 0.596 13.430 829 HD1 TYR 113 HD1 TYR 113 -10.395 -1.045 11.716 830 HD2 TYR 113 HD2 TYR 113 -12.431 -0.364 15.437 831 HE1 TYR 113 HE1 TYR 113 -8.516 -2.105 12.938 832 HE2 TYR 113 HE2 TYR 113 -10.552 -1.426 16.658 833 HH TYR 113 HH TYR 113 -7.546 -2.105 15.174 834 H ASP 114 H ASP 114 -16.045 -1.608 11.918 835 HA ASP 114 HA ASP 114 -17.659 -2.516 13.211 836 HB2 ASP 114 HB3 ASP 114 -15.934 -4.419 13.081 837 HB3 ASP 114 HB2 ASP 114 -15.499 -3.970 14.727 838 H THR 115 H THR 115 -17.222 -0.041 13.973 839 HA THR 115 HA THR 115 -17.370 -0.136 16.907 840 HB THR 115 HB THR 115 -16.427 2.358 16.613 841 HG1 THR 115 HG1 THR 115 -15.086 2.557 14.937 842 HG21 THR 115 HG21 THR 115 -15.472 0.560 18.018 843 HG22 THR 115 HG22 THR 115 -14.232 1.538 17.231 844 HG23 THR 115 HG23 THR 115 -14.619 -0.069 16.604 845 HA PRO 116 HA PRO 116 -21.210 2.034 16.469 846 HB2 PRO 116 HB3 PRO 116 -21.114 3.766 18.621 847 HB3 PRO 116 HB2 PRO 116 -21.513 2.042 18.746 848 HG2 PRO 116 HG3 PRO 116 -18.910 3.415 19.250 849 HG3 PRO 116 HG2 PRO 116 -19.705 2.126 20.174 850 HD2 PRO 116 HD3 PRO 116 -17.676 1.603 18.489 851 HD3 PRO 116 HD2 PRO 116 -19.029 0.467 18.670 852 H THR 117 H THR 117 -18.243 3.859 16.810 853 HA THR 117 HA THR 117 -19.420 6.267 15.581 854 HB THR 117 HB THR 117 -17.323 7.369 16.185 855 HG1 THR 117 HG1 THR 117 -15.618 6.258 16.768 856 HG21 THR 117 HG21 THR 117 -17.931 7.620 18.355 857 HG22 THR 117 HG22 THR 117 -17.680 5.911 18.710 858 HG23 THR 117 HG23 THR 117 -19.211 6.454 18.015 859 H ASP 118 H ASP 118 -17.433 3.537 14.864 860 HA ASP 118 HA ASP 118 -16.291 2.851 13.002 861 HB2 ASP 118 HB3 ASP 118 -18.613 3.338 12.062 862 HB3 ASP 118 HB2 ASP 118 -17.965 4.874 11.500 863 H LEU 119 H LEU 119 -15.060 4.846 14.572 864 HA LEU 119 HA LEU 119 -13.666 6.498 12.549 865 HB2 LEU 119 HB3 LEU 119 -14.034 6.910 15.523 866 HB3 LEU 119 HB2 LEU 119 -12.965 7.888 14.520 867 HG LEU 119 HG LEU 119 -15.913 7.544 13.910 868 HD11 LEU 119 HD11 LEU 119 -15.519 8.585 16.160 869 HD12 LEU 119 HD12 LEU 119 -16.276 9.685 15.008 870 HD13 LEU 119 HD13 LEU 119 -14.555 9.831 15.367 871 HD21 LEU 119 HD21 LEU 119 -15.476 9.693 12.649 872 HD22 LEU 119 HD22 LEU 119 -14.592 8.307 12.011 873 HD23 LEU 119 HD23 LEU 119 -13.761 9.497 13.012 874 H ARG 120 H ARG 120 -11.565 6.115 12.196 875 HA ARG 120 HA ARG 120 -10.151 4.318 14.077 876 HB2 ARG 120 HB3 ARG 120 -10.648 3.358 11.793 877 HB3 ARG 120 HB2 ARG 120 -9.594 4.599 11.114 878 HG2 ARG 120 HG3 ARG 120 -7.786 3.777 12.699 879 HG3 ARG 120 HG2 ARG 120 -8.840 2.413 13.070 880 HD2 ARG 120 HD3 ARG 120 -7.338 1.699 11.331 881 HD3 ARG 120 HD2 ARG 120 -8.924 1.916 10.599 882 HE ARG 120 HE ARG 120 -7.390 4.315 10.409 883 HH11 ARG 120 HH11 ARG 120 -7.694 1.124 8.989 884 HH12 ARG 120 HH12 ARG 120 -7.036 1.614 7.465 885 HH21 ARG 120 HH21 ARG 120 -6.536 4.906 8.413 886 HH22 ARG 120 HH22 ARG 120 -6.386 3.739 7.143 887 H TYR 121 H TYR 121 -9.664 6.392 15.201 888 HA TYR 121 HA TYR 121 -8.109 8.458 14.111 889 HB2 TYR 121 HB3 TYR 121 -8.021 7.330 16.920 890 HB3 TYR 121 HB2 TYR 121 -7.412 8.901 16.429 891 HD1 TYR 121 HD1 TYR 121 -10.450 6.872 16.970 892 HD2 TYR 121 HD2 TYR 121 -8.912 10.765 16.035 893 HE1 TYR 121 HE1 TYR 121 -12.680 7.850 17.419 894 HE2 TYR 121 HE2 TYR 121 -11.146 11.749 16.466 895 HH TYR 121 HH TYR 121 -13.170 11.282 17.600 896 H CYS 122 H CYS 122 -6.104 8.351 13.272 897 HA CYS 122 HA CYS 122 -4.316 6.144 14.084 898 HB2 CYS 122 HB3 CYS 122 -4.815 6.299 11.651 899 HB3 CYS 122 HB2 CYS 122 -4.176 7.943 11.641 900 HG CYS 122 HG CYS 122 -1.987 6.847 11.240 901 H ILE 123 H ILE 123 -3.547 7.057 15.966 902 HA ILE 123 HA ILE 123 -1.811 9.420 15.598 903 HB ILE 123 HB ILE 123 -3.517 9.036 18.073 904 HG12 ILE 123 HG13 ILE 123 -4.072 10.738 15.606 905 HG13 ILE 123 HG12 ILE 123 -5.012 9.361 16.129 906 HG21 ILE 123 HG21 ILE 123 -2.863 11.365 18.477 907 HG22 ILE 123 HG22 ILE 123 -2.040 11.424 16.919 908 HG23 ILE 123 HG23 ILE 123 -1.415 10.393 18.205 909 HD11 ILE 123 HD11 ILE 123 -4.898 12.118 17.293 910 HD12 ILE 123 HD12 ILE 123 -5.235 10.760 18.372 911 HD13 ILE 123 HD13 ILE 123 -6.299 11.077 17.000 912 H ASN 124 H ASN 124 0.032 9.457 16.850 913 HA ASN 124 HA ASN 124 0.685 6.916 18.218 914 HB2 ASN 124 HB3 ASN 124 2.022 8.041 16.140 915 HB3 ASN 124 HB2 ASN 124 2.868 8.789 17.491 916 HD21 ASN 124 HD21 ASN 124 3.886 6.687 15.613 917 HD22 ASN 124 HD22 ASN 124 4.326 5.374 16.593 918 H SER 125 H SER 125 2.311 7.187 20.019 919 HA SER 125 HA SER 125 1.436 9.417 21.721 920 HB2 SER 125 HB3 SER 125 1.142 7.180 22.654 921 HB3 SER 125 HB2 SER 125 2.849 6.829 22.408 922 HG SER 125 HG SER 125 3.164 7.740 24.264 923 H VAL 126 H VAL 126 2.739 11.049 20.847 924 HA VAL 126 HA VAL 126 5.618 10.760 20.781 925 HB VAL 126 HB VAL 126 4.329 12.183 19.150 926 HG11 VAL 126 HG11 VAL 126 4.299 14.400 21.178 927 HG12 VAL 126 HG12 VAL 126 2.959 13.248 21.162 928 HG13 VAL 126 HG13 VAL 126 3.326 14.193 19.720 929 HG21 VAL 126 HG21 VAL 126 6.805 12.360 19.663 930 HG22 VAL 126 HG22 VAL 126 6.414 13.725 20.709 931 HG23 VAL 126 HG23 VAL 126 6.077 13.815 18.980 932 H CYS 127 H CYS 127 4.979 10.030 23.232 933 HA CYS 127 HA CYS 127 5.586 10.344 25.420 934 HB2 CYS 127 HB3 CYS 127 7.474 11.762 24.385 935 HB3 CYS 127 HB2 CYS 127 6.482 13.160 24.801 936 HG CYS 127 HG CYS 127 7.134 12.889 27.174 937 H LEU 128 H LEU 128 3.120 10.360 25.123 938 HA LEU 128 HA LEU 128 1.790 12.830 25.944 939 HB2 LEU 128 HB3 LEU 128 0.663 11.536 24.272 940 HB3 LEU 128 HB2 LEU 128 0.845 10.048 25.188 941 HG LEU 128 HG LEU 128 -0.668 12.283 26.515 942 HD11 LEU 128 HD11 LEU 128 -2.771 11.522 25.365 943 HD12 LEU 128 HD12 LEU 128 -1.759 10.648 24.214 944 HD13 LEU 128 HD13 LEU 128 -1.656 12.405 24.322 945 HD21 LEU 128 HD21 LEU 128 -0.914 9.266 26.352 946 HD22 LEU 128 HD22 LEU 128 -2.090 10.280 27.188 947 HD23 LEU 128 HD23 LEU 128 -0.421 10.222 27.744 948 H THR 129 H THR 129 0.561 12.964 27.907 949 HA THR 129 HA THR 129 1.844 11.572 30.132 950 HB THR 129 HB THR 129 -0.200 13.814 30.123 951 HG1 THR 129 HG1 THR 129 1.547 15.126 30.316 952 HG21 THR 129 HG21 THR 129 0.469 14.158 32.447 953 HG22 THR 129 HG22 THR 129 1.635 12.840 32.337 954 HG23 THR 129 HG23 THR 129 -0.093 12.498 32.250 955 H LEU 130 H LEU 130 0.950 10.053 31.386 956 HA LEU 130 HA LEU 130 -1.763 9.122 30.722 957 HB2 LEU 130 HB3 LEU 130 -0.144 7.385 30.461 958 HB3 LEU 130 HB2 LEU 130 0.632 7.779 31.979 959 HG LEU 130 HG LEU 130 -0.828 5.646 31.854 960 HD11 LEU 130 HD11 LEU 130 -1.922 6.625 34.246 961 HD12 LEU 130 HD12 LEU 130 -0.451 7.567 34.010 962 HD13 LEU 130 HD13 LEU 130 -0.376 5.810 34.031 963 HD21 LEU 130 HD21 LEU 130 -2.832 7.341 30.973 964 HD22 LEU 130 HD22 LEU 130 -3.245 7.144 32.677 965 HD23 LEU 130 HD23 LEU 130 -3.085 5.730 31.640 966 H ILE 131 H ILE 131 -3.378 9.270 32.116 967 HA ILE 131 HA ILE 131 -2.845 10.357 34.811 968 HB ILE 131 HB ILE 131 -5.419 10.302 33.200 969 HG12 ILE 131 HG13 ILE 131 -3.786 11.815 32.160 970 HG13 ILE 131 HG12 ILE 131 -5.075 12.742 32.914 971 HG21 ILE 131 HG21 ILE 131 -6.093 12.055 34.953 972 HG22 ILE 131 HG22 ILE 131 -4.718 11.477 35.894 973 HG23 ILE 131 HG23 ILE 131 -6.034 10.375 35.489 974 HD11 ILE 131 HD11 ILE 131 -2.898 13.772 33.400 975 HD12 ILE 131 HD12 ILE 131 -2.314 12.253 34.080 976 HD13 ILE 131 HD13 ILE 131 -3.608 13.139 34.886 977 HA PRO 132 HA PRO 132 -4.075 6.146 36.007 978 HB2 PRO 132 HB3 PRO 132 -3.481 6.355 38.662 979 HB3 PRO 132 HB2 PRO 132 -2.251 6.061 37.420 980 HG2 PRO 132 HG3 PRO 132 -2.939 8.581 38.828 981 HG3 PRO 132 HG2 PRO 132 -1.368 7.977 38.295 982 HD2 PRO 132 HD3 PRO 132 -2.833 9.899 36.997 983 HD3 PRO 132 HD2 PRO 132 -1.590 8.886 36.227 984 H ALA 133 H ALA 133 -6.252 6.263 35.721 985 HA ALA 133 HA ALA 133 -8.046 7.967 36.976 986 HB1 ALA 133 HB1 ALA 133 -8.337 5.242 35.719 987 HB2 ALA 133 HB2 ALA 133 -8.748 6.817 35.028 988 HB3 ALA 133 HB3 ALA 133 -9.728 6.143 36.331 989 H GLU 134 H GLU 134 -7.221 4.597 37.812 990 HA GLU 134 HA GLU 134 -7.434 4.923 40.606 991 HB2 GLU 134 HB3 GLU 134 -9.876 5.173 39.974 992 HB3 GLU 134 HB2 GLU 134 -9.814 3.516 39.382 993 HG2 GLU 134 HG3 GLU 134 -9.166 2.721 41.612 994 HG3 GLU 134 HG2 GLU 134 -9.149 4.377 42.214 995 H GLU 135 H GLU 135 -7.985 2.716 37.891 996 HA GLU 135 HA GLU 135 -7.242 0.605 37.427 997 HB2 GLU 135 HB3 GLU 135 -5.054 1.339 39.395 998 HB3 GLU 135 HB2 GLU 135 -5.004 -0.018 38.272 999 HG2 GLU 135 HG3 GLU 135 -5.186 1.548 36.369 1000 HG3 GLU 135 HG2 GLU 135 -5.229 2.908 37.491 1001 H SER 136 H SER 136 -9.318 0.664 39.088 1002 HA SER 136 HA SER 136 -8.739 -1.300 41.223 1003 HB2 SER 136 HB3 SER 136 -9.807 0.761 42.019 1004 HB3 SER 136 HB2 SER 136 -11.121 0.539 40.868 1005 HG SER 136 HG SER 136 -11.441 -1.546 41.941 Start of MODEL 6 1 H MET 1 H1 MET 1 -9.942 25.922 33.679 2 HA MET 1 HA MET 1 -8.893 25.167 31.806 3 HB2 MET 1 HB3 MET 1 -9.745 25.623 29.516 4 HB3 MET 1 HB2 MET 1 -10.923 24.756 30.499 5 HG2 MET 1 HG3 MET 1 -12.074 26.903 30.985 6 HG3 MET 1 HG2 MET 1 -10.914 27.744 29.956 7 HE1 MET 1 HE1 MET 1 -14.425 27.643 28.229 8 HE2 MET 1 HE2 MET 1 -12.993 28.664 28.127 9 HE3 MET 1 HE3 MET 1 -13.623 28.196 29.705 10 H THR 2 H THR 2 -7.372 26.259 30.410 11 HA THR 2 HA THR 2 -7.204 29.179 30.865 12 HB THR 2 HB THR 2 -4.906 27.196 30.904 13 HG1 THR 2 HG1 THR 2 -5.152 27.189 32.991 14 HG21 THR 2 HG21 THR 2 -3.698 29.250 31.830 15 HG22 THR 2 HG22 THR 2 -5.076 30.197 31.267 16 HG23 THR 2 HG23 THR 2 -4.090 29.303 30.110 17 H ASN 3 H ASN 3 -6.640 30.405 29.127 18 HA ASN 3 HA ASN 3 -6.755 29.191 26.512 19 HB2 ASN 3 HB3 ASN 3 -7.758 31.414 27.049 20 HB3 ASN 3 HB2 ASN 3 -6.136 32.055 27.282 21 HD21 ASN 3 HD21 ASN 3 -7.070 33.509 25.425 22 HD22 ASN 3 HD22 ASN 3 -6.770 32.978 23.842 23 H PHE 4 H PHE 4 -5.055 28.118 25.786 24 HA PHE 4 HA PHE 4 -2.343 28.724 26.583 25 HB2 PHE 4 HB3 PHE 4 -3.508 26.685 24.678 26 HB3 PHE 4 HB2 PHE 4 -1.801 26.786 25.099 27 HD1 PHE 4 HD1 PHE 4 -5.180 26.008 26.339 28 HD2 PHE 4 HD2 PHE 4 -1.007 26.174 27.328 29 HE1 PHE 4 HE1 PHE 4 -5.616 24.701 28.401 30 HE2 PHE 4 HE2 PHE 4 -1.441 24.873 29.391 31 HZ PHE 4 HZ PHE 4 -3.746 24.135 29.929 32 H LYS 5 H LYS 5 -4.368 29.855 24.111 33 HA LYS 5 HA LYS 5 -2.593 30.074 21.925 34 HB2 LYS 5 HB3 LYS 5 -4.937 31.851 22.654 35 HB3 LYS 5 HB2 LYS 5 -4.186 31.740 21.066 36 HG2 LYS 5 HG3 LYS 5 -5.487 29.408 22.503 37 HG3 LYS 5 HG2 LYS 5 -6.303 30.399 21.299 38 HD2 LYS 5 HD3 LYS 5 -4.793 29.684 19.566 39 HD3 LYS 5 HD2 LYS 5 -3.732 28.894 20.735 40 HE2 LYS 5 HE3 LYS 5 -5.090 27.179 19.727 41 HE3 LYS 5 HE2 LYS 5 -5.657 27.423 21.383 42 HZ1 LYS 5 HZ1 LYS 5 -6.877 28.981 19.214 43 HZ2 LYS 5 HZ2 LYS 5 -7.551 28.465 20.686 44 HZ3 LYS 5 HZ3 LYS 5 -7.338 27.362 19.411 45 H LEU 6 H LEU 6 -3.219 32.164 24.686 46 HA LEU 6 HA LEU 6 -1.728 34.412 23.749 47 HB2 LEU 6 HB3 LEU 6 -3.066 33.562 26.261 48 HB3 LEU 6 HB2 LEU 6 -1.790 34.755 26.440 49 HG LEU 6 HG LEU 6 -2.922 36.263 24.872 50 HD11 LEU 6 HD11 LEU 6 -4.053 34.978 23.270 51 HD12 LEU 6 HD12 LEU 6 -5.396 35.520 24.274 52 HD13 LEU 6 HD13 LEU 6 -4.739 33.896 24.476 53 HD21 LEU 6 HD21 LEU 6 -4.928 35.174 26.861 54 HD22 LEU 6 HD22 LEU 6 -4.802 36.834 26.274 55 HD23 LEU 6 HD23 LEU 6 -3.545 36.169 27.319 56 H ILE 7 H ILE 7 -0.698 31.401 24.977 57 HA ILE 7 HA ILE 7 1.593 32.124 26.443 58 HB ILE 7 HB ILE 7 1.048 29.641 24.794 59 HG12 ILE 7 HG13 ILE 7 0.804 30.096 27.784 60 HG13 ILE 7 HG12 ILE 7 -0.556 30.223 26.670 61 HG21 ILE 7 HG21 ILE 7 2.768 28.606 26.323 62 HG22 ILE 7 HG22 ILE 7 3.141 30.220 26.927 63 HG23 ILE 7 HG23 ILE 7 3.447 29.818 25.238 64 HD11 ILE 7 HD11 ILE 7 1.186 27.765 26.963 65 HD12 ILE 7 HD12 ILE 7 -0.275 27.908 25.987 66 HD13 ILE 7 HD13 ILE 7 -0.381 27.970 27.747 67 H THR 8 H THR 8 3.698 32.428 25.897 68 HA THR 8 HA THR 8 4.242 33.449 23.246 69 HB THR 8 HB THR 8 6.425 34.066 24.219 70 HG1 THR 8 HG1 THR 8 7.004 32.736 25.728 71 HG21 THR 8 HG21 THR 8 5.585 35.663 25.890 72 HG22 THR 8 HG22 THR 8 4.083 34.748 26.015 73 HG23 THR 8 HG23 THR 8 4.489 35.577 24.511 74 H ASP 9 H ASP 9 6.280 32.816 22.138 75 HA ASP 9 HA ASP 9 6.281 30.065 21.562 76 HB2 ASP 9 HB3 ASP 9 8.266 32.252 20.931 77 HB3 ASP 9 HB2 ASP 9 8.438 30.608 20.330 78 H THR 10 H THR 10 8.419 32.029 23.602 79 HA THR 10 HA THR 10 10.347 30.034 24.142 80 HB THR 10 HB THR 10 9.489 32.368 25.884 81 HG1 THR 10 HG1 THR 10 10.246 33.294 24.120 82 HG21 THR 10 HG21 THR 10 11.592 32.136 27.008 83 HG22 THR 10 HG22 THR 10 12.171 30.959 25.832 84 HG23 THR 10 HG23 THR 10 10.900 30.513 26.972 85 H GLU 11 H GLU 11 7.367 30.970 25.842 86 HA GLU 11 HA GLU 11 7.619 29.228 28.025 87 HB2 GLU 11 HB3 GLU 11 5.207 30.416 26.676 88 HB3 GLU 11 HB2 GLU 11 5.091 29.433 28.132 89 HG2 GLU 11 HG3 GLU 11 6.584 30.974 29.316 90 HG3 GLU 11 HG2 GLU 11 6.772 31.941 27.858 91 H TRP 12 H TRP 12 6.252 28.699 24.796 92 HA TRP 12 HA TRP 12 5.168 26.136 25.313 93 HB2 TRP 12 HB3 TRP 12 6.022 27.588 22.826 94 HB3 TRP 12 HB2 TRP 12 5.601 25.879 22.737 95 HD1 TRP 12 HD1 TRP 12 4.067 29.211 22.608 96 HE1 TRP 12 HE1 TRP 12 1.505 29.047 22.835 97 HE3 TRP 12 HE3 TRP 12 3.634 24.400 24.271 98 HZ2 TRP 12 HZ2 TRP 12 -0.466 27.128 23.621 99 HZ3 TRP 12 HZ3 TRP 12 1.407 23.432 24.749 100 HH2 TRP 12 HH2 TRP 12 -0.643 24.789 24.428 101 H ARG 13 H ARG 13 8.391 27.195 24.290 102 HA ARG 13 HA ARG 13 9.465 24.634 23.752 103 HB2 ARG 13 HB3 ARG 13 10.771 27.235 24.548 104 HB3 ARG 13 HB2 ARG 13 11.679 25.790 24.103 105 HG2 ARG 13 HG3 ARG 13 10.559 25.751 21.910 106 HG3 ARG 13 HG2 ARG 13 9.631 27.184 22.355 107 HD2 ARG 13 HD3 ARG 13 11.544 27.853 20.996 108 HD3 ARG 13 HD2 ARG 13 11.759 28.439 22.643 109 HE ARG 13 HE ARG 13 13.567 26.991 22.884 110 HH11 ARG 13 HH11 ARG 13 11.806 26.180 19.962 111 HH12 ARG 13 HH12 ARG 13 13.018 25.075 19.403 112 HH21 ARG 13 HH21 ARG 13 15.110 25.544 22.121 113 HH22 ARG 13 HH22 ARG 13 14.872 24.720 20.616 114 H GLN 14 H GLN 14 9.367 26.604 26.685 115 HA GLN 14 HA GLN 14 10.765 24.551 28.221 116 HB2 GLN 14 HB3 GLN 14 10.422 26.202 30.141 117 HB3 GLN 14 HB2 GLN 14 11.459 26.732 28.821 118 HG2 GLN 14 HG3 GLN 14 10.062 28.403 28.217 119 HG3 GLN 14 HG2 GLN 14 8.620 27.431 28.440 120 HE21 GLN 14 HE21 GLN 14 8.765 30.150 29.290 121 HE22 GLN 14 HE22 GLN 14 8.676 30.184 30.982 122 H ARG 15 H ARG 15 7.632 24.910 27.232 123 HA ARG 15 HA ARG 15 6.332 24.087 29.717 124 HB2 ARG 15 HB3 ARG 15 5.474 25.013 27.024 125 HB3 ARG 15 HB2 ARG 15 4.374 23.923 27.860 126 HG2 ARG 15 HG3 ARG 15 4.124 25.414 29.692 127 HG3 ARG 15 HG2 ARG 15 5.497 26.399 29.189 128 HD2 ARG 15 HD3 ARG 15 4.306 27.141 27.221 129 HD3 ARG 15 HD2 ARG 15 2.974 26.041 27.553 130 HE ARG 15 HE ARG 15 3.518 28.585 28.879 131 HH11 ARG 15 HH11 ARG 15 1.734 25.569 28.972 132 HH12 ARG 15 HH12 ARG 15 0.511 26.194 30.027 133 HH21 ARG 15 HH21 ARG 15 1.901 29.355 30.243 134 HH22 ARG 15 HH22 ARG 15 0.607 28.318 30.741 135 H LEU 16 H LEU 16 7.007 22.795 26.483 136 HA LEU 16 HA LEU 16 6.485 20.082 27.518 137 HB2 LEU 16 HB3 LEU 16 5.593 19.658 25.071 138 HB3 LEU 16 HB2 LEU 16 4.527 20.284 26.317 139 HG LEU 16 HG LEU 16 5.047 22.618 25.450 140 HD11 LEU 16 HD11 LEU 16 6.002 22.795 23.196 141 HD12 LEU 16 HD12 LEU 16 6.255 21.050 23.153 142 HD13 LEU 16 HD13 LEU 16 7.158 22.044 24.295 143 HD21 LEU 16 HD21 LEU 16 3.668 22.256 23.315 144 HD22 LEU 16 HD22 LEU 16 2.956 21.684 24.822 145 HD23 LEU 16 HD23 LEU 16 3.709 20.537 23.713 146 H SER 17 H SER 17 7.140 18.418 25.751 147 HA SER 17 HA SER 17 9.938 18.474 25.508 148 HB2 SER 17 HB3 SER 17 7.846 16.810 24.095 149 HB3 SER 17 HB2 SER 17 9.576 16.513 23.960 150 HG SER 17 HG SER 17 9.652 16.018 26.096 151 H SER 18 H SER 18 11.263 18.561 23.629 152 HA SER 18 HA SER 18 10.766 20.736 21.921 153 HB2 SER 18 HB3 SER 18 12.729 19.970 20.669 154 HB3 SER 18 HB2 SER 18 13.029 19.865 22.402 155 HG SER 18 HG SER 18 13.527 17.970 20.951 156 H GLU 19 H GLU 19 10.169 17.290 21.582 157 HA GLU 19 HA GLU 19 9.437 17.351 18.828 158 HB2 GLU 19 HB3 GLU 19 8.193 15.171 19.453 159 HB3 GLU 19 HB2 GLU 19 9.952 15.181 19.571 160 HG2 GLU 19 HG3 GLU 19 8.461 15.955 22.040 161 HG3 GLU 19 HG2 GLU 19 8.327 14.275 21.548 162 H GLU 20 H GLU 20 7.558 17.471 21.845 163 HA GLU 20 HA GLU 20 5.013 17.546 20.717 164 HB2 GLU 20 HB3 GLU 20 6.107 18.612 23.318 165 HB3 GLU 20 HB2 GLU 20 4.388 18.646 22.911 166 HG2 GLU 20 HG3 GLU 20 4.315 16.246 22.679 167 HG3 GLU 20 HG2 GLU 20 6.064 16.124 22.809 168 H TYR 21 H TYR 21 7.396 20.090 21.195 169 HA TYR 21 HA TYR 21 5.759 22.351 20.882 170 HB2 TYR 21 HB3 TYR 21 8.146 22.349 21.620 171 HB3 TYR 21 HB2 TYR 21 8.624 21.970 19.963 172 HD1 TYR 21 HD1 TYR 21 7.548 24.582 22.270 173 HD2 TYR 21 HD2 TYR 21 8.141 23.629 18.118 174 HE1 TYR 21 HE1 TYR 21 7.495 26.994 21.704 175 HE2 TYR 21 HE2 TYR 21 8.100 26.041 17.562 176 HH TYR 21 HH TYR 21 8.410 28.173 18.587 177 H ARG 22 H ARG 22 7.686 20.607 18.362 178 HA ARG 22 HA ARG 22 6.553 22.176 16.234 179 HB2 ARG 22 HB3 ARG 22 7.828 20.836 14.706 180 HB3 ARG 22 HB2 ARG 22 8.837 21.159 16.108 181 HG2 ARG 22 HG3 ARG 22 7.755 18.789 16.879 182 HG3 ARG 22 HG2 ARG 22 7.694 18.559 15.118 183 HD2 ARG 22 HD3 ARG 22 10.179 19.353 16.674 184 HD3 ARG 22 HD2 ARG 22 9.811 17.719 16.129 185 HE ARG 22 HE ARG 22 9.644 19.365 13.884 186 HH11 ARG 22 HH11 ARG 22 12.107 18.389 16.179 187 HH12 ARG 22 HH12 ARG 22 13.399 18.562 15.040 188 HH21 ARG 22 HH21 ARG 22 11.356 19.582 12.438 189 HH22 ARG 22 HH22 ARG 22 12.976 19.233 12.940 190 H VAL 23 H VAL 23 5.777 19.174 17.774 191 HA VAL 23 HA VAL 23 4.033 18.084 15.880 192 HB VAL 23 HB VAL 23 4.344 17.743 18.794 193 HG11 VAL 23 HG11 VAL 23 2.903 15.838 18.764 194 HG12 VAL 23 HG12 VAL 23 2.732 15.927 17.012 195 HG13 VAL 23 HG13 VAL 23 1.992 17.158 18.040 196 HG21 VAL 23 HG21 VAL 23 5.607 15.833 18.278 197 HG22 VAL 23 HG22 VAL 23 6.082 16.959 17.009 198 HG23 VAL 23 HG23 VAL 23 4.908 15.694 16.666 199 H LEU 24 H LEU 24 3.412 20.249 18.582 200 HA LEU 24 HA LEU 24 0.589 20.357 17.946 201 HB2 LEU 24 HB3 LEU 24 2.200 21.893 19.987 202 HB3 LEU 24 HB2 LEU 24 0.444 21.904 19.857 203 HG LEU 24 HG LEU 24 2.141 19.433 20.377 204 HD11 LEU 24 HD11 LEU 24 1.996 21.167 22.227 205 HD12 LEU 24 HD12 LEU 24 1.397 19.563 22.647 206 HD13 LEU 24 HD13 LEU 24 0.261 20.857 22.269 207 HD21 LEU 24 HD21 LEU 24 -0.835 19.894 20.105 208 HD22 LEU 24 HD22 LEU 24 -0.214 18.529 21.035 209 HD23 LEU 24 HD23 LEU 24 0.155 18.668 19.313 210 H ARG 25 H ARG 25 3.298 21.998 16.738 211 HA ARG 25 HA ARG 25 1.725 24.420 16.144 212 HB2 ARG 25 HB3 ARG 25 4.639 23.832 16.363 213 HB3 ARG 25 HB2 ARG 25 4.166 25.050 15.184 214 HG2 ARG 25 HG3 ARG 25 2.745 26.065 17.115 215 HG3 ARG 25 HG2 ARG 25 3.730 25.056 18.174 216 HD2 ARG 25 HD3 ARG 25 5.770 26.105 17.269 217 HD3 ARG 25 HD2 ARG 25 4.789 27.110 16.211 218 HE ARG 25 HE ARG 25 5.174 27.462 19.069 219 HH11 ARG 25 HH11 ARG 25 3.186 28.237 16.286 220 HH12 ARG 25 HH12 ARG 25 2.506 29.649 17.020 221 HH21 ARG 25 HH21 ARG 25 4.246 29.301 19.991 222 HH22 ARG 25 HH22 ARG 25 3.102 30.245 19.097 223 H GLU 26 H GLU 26 3.706 21.969 14.463 224 HA GLU 26 HA GLU 26 2.155 22.553 12.021 225 HB2 GLU 26 HB3 GLU 26 4.206 22.280 10.665 226 HB3 GLU 26 HB2 GLU 26 4.318 23.654 11.760 227 HG2 GLU 26 HG3 GLU 26 5.599 22.252 13.362 228 HG3 GLU 26 HG2 GLU 26 5.520 20.908 12.225 229 H ALA 27 H ALA 27 1.838 20.451 14.007 230 HA ALA 27 HA ALA 27 1.186 18.249 13.981 231 HB1 ALA 27 HB1 ALA 27 1.085 16.956 12.001 232 HB2 ALA 27 HB2 ALA 27 2.341 17.911 11.214 233 HB3 ALA 27 HB3 ALA 27 0.746 18.613 11.500 234 H GLY 28 H GLY 28 4.395 19.236 13.288 235 HA2 GLY 28 HA3 GLY 28 6.473 18.164 13.396 236 HA3 GLY 28 HA2 GLY 28 5.888 18.164 15.041 237 H THR 29 H THR 29 4.707 16.213 12.500 238 HA THR 29 HA THR 29 4.393 13.963 12.273 239 HB THR 29 HB THR 29 6.411 12.601 12.451 240 HG1 THR 29 HG1 THR 29 8.331 13.743 13.217 241 HG21 THR 29 HG21 THR 29 6.357 13.864 10.450 242 HG22 THR 29 HG22 THR 29 7.978 14.109 11.099 243 HG23 THR 29 HG23 THR 29 6.753 15.361 11.295 244 H GLU 30 H GLU 30 5.436 11.801 13.920 245 HA GLU 30 HA GLU 30 4.649 12.341 16.645 246 HB2 GLU 30 HB3 GLU 30 2.742 10.719 16.627 247 HB3 GLU 30 HB2 GLU 30 2.434 12.179 15.694 248 HG2 GLU 30 HG3 GLU 30 3.103 10.937 13.620 249 HG3 GLU 30 HG2 GLU 30 3.255 9.474 14.580 250 H ALA 31 H ALA 31 7.002 11.569 16.370 251 HA ALA 31 HA ALA 31 7.215 8.641 16.243 252 HB1 ALA 31 HB1 ALA 31 9.483 10.591 16.595 253 HB2 ALA 31 HB2 ALA 31 8.809 10.210 15.010 254 HB3 ALA 31 HB3 ALA 31 9.542 8.937 15.987 255 HA PRO 32 HA PRO 32 7.219 8.764 20.796 256 HB2 PRO 32 HB3 PRO 32 7.060 6.091 21.196 257 HB3 PRO 32 HB2 PRO 32 5.665 7.054 20.667 258 HG2 PRO 32 HG3 PRO 32 7.529 5.402 19.012 259 HG3 PRO 32 HG2 PRO 32 5.761 5.449 18.987 260 HD2 PRO 32 HD3 PRO 32 7.247 6.784 17.195 261 HD3 PRO 32 HD2 PRO 32 5.694 7.410 17.794 262 H HIS 33 H HIS 33 8.473 7.036 22.396 263 HA HIS 33 HA HIS 33 10.491 6.439 23.285 264 HB2 HIS 33 HB3 HIS 33 11.132 5.906 20.378 265 HB3 HIS 33 HB2 HIS 33 12.170 5.437 21.724 266 HD1 HIS 33 HD1 HIS 33 11.313 3.544 23.301 267 HD2 HIS 33 HD2 HIS 33 8.749 4.387 20.131 268 HE1 HIS 33 HE1 HIS 33 9.621 1.660 23.230 269 HE2 HIS 33 HE2 HIS 33 8.054 2.155 21.294 270 H THR 34 H THR 34 10.014 9.182 22.819 271 HA THR 34 HA THR 34 12.732 10.202 22.232 272 HB THR 34 HB THR 34 11.635 12.380 21.780 273 HG1 THR 34 HG1 THR 34 9.512 12.582 21.938 274 HG21 THR 34 HG21 THR 34 12.110 10.792 19.943 275 HG22 THR 34 HG22 THR 34 10.657 11.739 19.622 276 HG23 THR 34 HG23 THR 34 10.518 10.068 20.169 277 H GLY 35 H GLY 35 11.316 9.177 24.815 278 HA2 GLY 35 HA3 GLY 35 12.503 11.122 26.587 279 HA3 GLY 35 HA2 GLY 35 10.747 10.998 26.719 280 H GLU 36 H GLU 36 13.122 10.146 28.461 281 HA GLU 36 HA GLU 36 12.873 7.271 28.590 282 HB2 GLU 36 HB3 GLU 36 14.545 7.428 30.335 283 HB3 GLU 36 HB2 GLU 36 14.978 8.458 28.972 284 HG2 GLU 36 HG3 GLU 36 14.096 10.430 30.157 285 HG3 GLU 36 HG2 GLU 36 13.661 9.412 31.527 286 H TYR 37 H TYR 37 11.514 10.007 30.251 287 HA TYR 37 HA TYR 37 10.408 8.366 32.399 288 HB2 TYR 37 HB3 TYR 37 9.498 10.496 33.270 289 HB3 TYR 37 HB2 TYR 37 11.239 10.561 33.014 290 HD1 TYR 37 HD1 TYR 37 7.951 11.697 31.777 291 HD2 TYR 37 HD2 TYR 37 12.208 11.946 31.262 292 HE1 TYR 37 HE1 TYR 37 7.658 13.668 30.299 293 HE2 TYR 37 HE2 TYR 37 11.915 13.914 29.783 294 HH TYR 37 HH TYR 37 10.314 15.634 29.313 295 H THR 38 H THR 38 9.509 8.296 29.415 296 HA THR 38 HA THR 38 6.698 9.036 29.651 297 HB THR 38 HB THR 38 7.914 9.470 27.548 298 HG1 THR 38 HG1 THR 38 5.631 8.961 27.630 299 HG21 THR 38 HG21 THR 38 9.257 7.217 27.824 300 HG22 THR 38 HG22 THR 38 8.855 7.804 26.210 301 HG23 THR 38 HG23 THR 38 7.892 6.525 26.948 302 H ASN 39 H ASN 39 7.877 6.804 31.295 303 HA ASN 39 HA ASN 39 6.968 4.297 30.337 304 HB2 ASN 39 HB3 ASN 39 7.505 5.325 33.128 305 HB3 ASN 39 HB2 ASN 39 7.076 3.653 32.783 306 HD21 ASN 39 HD21 ASN 39 9.631 4.488 33.916 307 HD22 ASN 39 HD22 ASN 39 10.838 4.076 32.796 308 H THR 40 H THR 40 5.084 3.159 30.683 309 HA THR 40 HA THR 40 2.900 4.379 32.194 310 HB THR 40 HB THR 40 2.637 5.346 29.953 311 HG1 THR 40 HG1 THR 40 0.523 4.389 29.548 312 HG21 THR 40 HG21 THR 40 3.800 3.521 28.700 313 HG22 THR 40 HG22 THR 40 2.240 3.947 27.997 314 HG23 THR 40 HG23 THR 40 2.398 2.485 28.972 315 H THR 41 H THR 41 1.358 2.913 32.903 316 HA THR 41 HA THR 41 1.542 0.122 32.024 317 HB THR 41 HB THR 41 1.655 -0.661 34.389 318 HG1 THR 41 HG1 THR 41 0.971 1.177 35.441 319 HG21 THR 41 HG21 THR 41 4.047 -0.300 34.641 320 HG22 THR 41 HG22 THR 41 3.978 1.106 33.578 321 HG23 THR 41 HG23 THR 41 3.675 -0.505 32.928 322 H THR 42 H THR 42 -0.004 2.419 34.254 323 HA THR 42 HA THR 42 -2.419 0.917 34.537 324 HB THR 42 HB THR 42 -2.048 3.882 35.006 325 HG1 THR 42 HG1 THR 42 -0.471 2.559 36.079 326 HG21 THR 42 HG21 THR 42 -3.861 1.850 36.329 327 HG22 THR 42 HG22 THR 42 -4.373 2.940 35.041 328 HG23 THR 42 HG23 THR 42 -3.859 3.590 36.596 329 H GLU 43 H GLU 43 -4.364 1.141 33.500 330 HA GLU 43 HA GLU 43 -4.356 2.735 31.009 331 HB2 GLU 43 HB3 GLU 43 -5.405 0.020 31.710 332 HB3 GLU 43 HB2 GLU 43 -6.361 0.983 30.588 333 HG2 GLU 43 HG3 GLU 43 -4.843 -0.330 29.265 334 HG3 GLU 43 HG2 GLU 43 -4.247 1.328 29.234 335 H GLY 44 H GLY 44 -5.241 4.614 31.687 336 HA2 GLY 44 HA3 GLY 44 -7.967 4.468 32.827 337 HA3 GLY 44 HA2 GLY 44 -6.776 5.602 33.434 338 H ILE 45 H ILE 45 -6.327 7.455 32.339 339 HA ILE 45 HA ILE 45 -7.935 7.980 29.912 340 HB ILE 45 HB ILE 45 -7.519 9.828 32.278 341 HG12 ILE 45 HG13 ILE 45 -10.174 8.739 31.310 342 HG13 ILE 45 HG12 ILE 45 -9.185 7.786 32.412 343 HG21 ILE 45 HG21 ILE 45 -9.265 10.220 29.825 344 HG22 ILE 45 HG22 ILE 45 -7.659 10.933 29.998 345 HG23 ILE 45 HG23 ILE 45 -8.955 11.390 31.109 346 HD11 ILE 45 HD11 ILE 45 -10.927 9.350 33.469 347 HD12 ILE 45 HD12 ILE 45 -9.848 10.667 33.003 348 HD13 ILE 45 HD13 ILE 45 -9.284 9.409 34.111 349 H TYR 46 H TYR 46 -6.931 8.923 28.293 350 HA TYR 46 HA TYR 46 -4.103 9.448 28.407 351 HB2 TYR 46 HB3 TYR 46 -6.230 9.311 26.333 352 HB3 TYR 46 HB2 TYR 46 -4.908 10.414 25.974 353 HD1 TYR 46 HD1 TYR 46 -5.146 6.988 27.567 354 HD2 TYR 46 HD2 TYR 46 -3.346 9.462 24.544 355 HE1 TYR 46 HE1 TYR 46 -3.741 5.079 26.840 356 HE2 TYR 46 HE2 TYR 46 -1.939 7.549 23.824 357 HH TYR 46 HH TYR 46 -2.542 4.382 24.712 358 H SER 47 H SER 47 -3.087 11.443 28.460 359 HA SER 47 HA SER 47 -4.807 13.813 28.400 360 HB2 SER 47 HB3 SER 47 -3.615 14.746 30.374 361 HB3 SER 47 HB2 SER 47 -4.615 13.345 30.739 362 HG SER 47 HG SER 47 -2.315 13.455 31.533 363 H CYS 48 H CYS 48 -4.064 15.401 27.236 364 HA CYS 48 HA CYS 48 -1.799 15.348 25.619 365 HB2 CYS 48 HB3 CYS 48 -3.932 16.907 25.661 366 HB3 CYS 48 HB2 CYS 48 -2.920 17.954 26.621 367 H ARG 49 H ARG 49 0.303 15.626 26.079 368 HA ARG 49 HA ARG 49 1.261 16.073 28.690 369 HB2 ARG 49 HB3 ARG 49 2.549 14.897 26.929 370 HB3 ARG 49 HB2 ARG 49 2.720 16.413 26.053 371 HG2 ARG 49 HG3 ARG 49 4.764 16.056 27.295 372 HG3 ARG 49 HG2 ARG 49 3.888 17.365 28.084 373 HD2 ARG 49 HD3 ARG 49 3.004 15.759 29.751 374 HD3 ARG 49 HD2 ARG 49 3.895 14.460 28.966 375 HE ARG 49 HE ARG 49 5.856 15.273 29.930 376 HH11 ARG 49 HH11 ARG 49 3.283 17.617 30.349 377 HH12 ARG 49 HH12 ARG 49 4.198 18.595 31.448 378 HH21 ARG 49 HH21 ARG 49 7.008 16.572 31.358 379 HH22 ARG 49 HH22 ARG 49 6.291 18.006 32.013 380 H ALA 50 H ALA 50 0.668 18.217 25.977 381 HA ALA 50 HA ALA 50 2.052 20.506 26.863 382 HB1 ALA 50 HB1 ALA 50 -0.339 20.144 25.072 383 HB2 ALA 50 HB2 ALA 50 1.360 20.332 24.601 384 HB3 ALA 50 HB3 ALA 50 0.483 21.693 25.299 385 H CYS 51 H CYS 51 -1.402 19.683 27.225 386 HA CYS 51 HA CYS 51 -1.623 21.856 29.226 387 HB2 CYS 51 HB3 CYS 51 -4.153 21.677 28.526 388 HB3 CYS 51 HB2 CYS 51 -3.022 22.607 27.551 389 H GLY 52 H GLY 52 -2.613 18.575 28.414 390 HA2 GLY 52 HA3 GLY 52 -2.741 16.866 30.098 391 HA3 GLY 52 HA2 GLY 52 -3.180 18.102 31.268 392 H THR 53 H THR 53 -4.661 18.175 28.113 393 HA THR 53 HA THR 53 -7.291 17.914 29.265 394 HB THR 53 HB THR 53 -7.519 17.574 26.464 395 HG1 THR 53 HG1 THR 53 -5.262 18.071 26.429 396 HG21 THR 53 HG21 THR 53 -8.451 19.763 26.488 397 HG22 THR 53 HG22 THR 53 -7.510 20.224 27.908 398 HG23 THR 53 HG23 THR 53 -8.824 19.058 28.060 399 H GLU 54 H GLU 54 -8.737 16.240 29.162 400 HA GLU 54 HA GLU 54 -7.651 13.586 28.869 401 HB2 GLU 54 HB3 GLU 54 -10.505 14.519 29.290 402 HB3 GLU 54 HB2 GLU 54 -9.959 12.845 29.393 403 HG2 GLU 54 HG3 GLU 54 -8.408 13.493 31.222 404 HG3 GLU 54 HG2 GLU 54 -9.031 15.138 31.138 405 H LEU 55 H LEU 55 -6.937 14.066 26.659 406 HA LEU 55 HA LEU 55 -8.620 14.551 24.487 407 HB2 LEU 55 HB3 LEU 55 -6.055 12.928 24.521 408 HB3 LEU 55 HB2 LEU 55 -6.776 13.680 23.105 409 HG LEU 55 HG LEU 55 -5.686 15.130 25.535 410 HD11 LEU 55 HD11 LEU 55 -4.613 14.672 22.761 411 HD12 LEU 55 HD12 LEU 55 -3.856 14.288 24.306 412 HD13 LEU 55 HD13 LEU 55 -4.015 15.968 23.797 413 HD21 LEU 55 HD21 LEU 55 -6.377 17.150 24.700 414 HD22 LEU 55 HD22 LEU 55 -7.656 16.177 23.995 415 HD23 LEU 55 HD23 LEU 55 -6.271 16.633 23.015 416 H PHE 56 H PHE 56 -7.615 11.485 25.939 417 HA PHE 56 HA PHE 56 -9.874 10.158 24.633 418 HB2 PHE 56 HB3 PHE 56 -7.008 9.199 24.394 419 HB3 PHE 56 HB2 PHE 56 -8.425 8.257 23.931 420 HD1 PHE 56 HD1 PHE 56 -6.248 11.072 23.064 421 HD2 PHE 56 HD2 PHE 56 -9.851 8.971 22.039 422 HE1 PHE 56 HE1 PHE 56 -6.284 12.209 20.860 423 HE2 PHE 56 HE2 PHE 56 -9.888 10.108 19.836 424 HZ PHE 56 HZ PHE 56 -8.105 11.727 19.246 425 H ARG 57 H ARG 57 -10.146 7.872 25.517 426 HA ARG 57 HA ARG 57 -9.026 7.539 28.202 427 HB2 ARG 57 HB3 ARG 57 -11.232 6.992 29.137 428 HB3 ARG 57 HB2 ARG 57 -11.164 8.654 28.565 429 HG2 ARG 57 HG3 ARG 57 -12.307 8.014 26.493 430 HG3 ARG 57 HG2 ARG 57 -12.323 6.331 27.011 431 HD2 ARG 57 HD3 ARG 57 -13.657 8.616 28.489 432 HD3 ARG 57 HD2 ARG 57 -14.494 7.464 27.455 433 HE ARG 57 HE ARG 57 -13.086 5.975 29.355 434 HH11 ARG 57 HH11 ARG 57 -15.692 8.319 29.326 435 HH12 ARG 57 HH12 ARG 57 -16.436 7.680 30.754 436 HH21 ARG 57 HH21 ARG 57 -14.088 5.177 31.206 437 HH22 ARG 57 HH22 ARG 57 -15.533 5.917 31.808 438 H SER 58 H SER 58 -9.347 5.375 29.064 439 HA SER 58 HA SER 58 -8.485 3.413 27.270 440 HB2 SER 58 HB3 SER 58 -9.645 3.163 30.042 441 HB3 SER 58 HB2 SER 58 -8.894 1.834 29.163 442 HG SER 58 HG SER 58 -7.763 3.960 30.450 443 H THR 59 H THR 59 -11.765 4.322 28.114 444 HA THR 59 HA THR 59 -12.903 1.796 27.356 445 HB THR 59 HB THR 59 -13.919 3.661 28.890 446 HG1 THR 59 HG1 THR 59 -15.315 2.071 27.021 447 HG21 THR 59 HG21 THR 59 -15.248 5.301 27.950 448 HG22 THR 59 HG22 THR 59 -15.523 4.378 26.479 449 HG23 THR 59 HG23 THR 59 -13.996 5.221 26.711 450 H GLU 60 H GLU 60 -12.166 4.761 25.631 451 HA GLU 60 HA GLU 60 -13.227 3.552 23.146 452 HB2 GLU 60 HB3 GLU 60 -13.105 6.350 24.161 453 HB3 GLU 60 HB2 GLU 60 -12.747 6.145 22.450 454 HG2 GLU 60 HG3 GLU 60 -15.053 6.398 22.361 455 HG3 GLU 60 HG2 GLU 60 -14.944 4.649 22.499 456 H LYS 61 H LYS 61 -10.645 2.938 24.434 457 HA LYS 61 HA LYS 61 -8.851 3.753 22.228 458 HB2 LYS 61 HB3 LYS 61 -8.333 4.936 24.366 459 HB3 LYS 61 HB2 LYS 61 -8.036 3.368 25.116 460 HG2 LYS 61 HG3 LYS 61 -6.375 3.016 23.108 461 HG3 LYS 61 HG2 LYS 61 -6.468 4.770 22.959 462 HD2 LYS 61 HD3 LYS 61 -4.611 4.396 24.382 463 HD3 LYS 61 HD2 LYS 61 -5.921 4.853 25.471 464 HE2 LYS 61 HE3 LYS 61 -6.348 2.515 26.012 465 HE3 LYS 61 HE2 LYS 61 -5.155 1.989 24.826 466 HZ1 LYS 61 HZ1 LYS 61 -3.505 3.332 26.131 467 HZ2 LYS 61 HZ2 LYS 61 -4.096 1.943 26.911 468 HZ3 LYS 61 HZ3 LYS 61 -4.682 3.478 27.344 469 H PHE 62 H PHE 62 -7.793 2.142 21.242 470 HA PHE 62 HA PHE 62 -7.595 -0.488 22.564 471 HB2 PHE 62 HB3 PHE 62 -9.538 -0.471 20.980 472 HB3 PHE 62 HB2 PHE 62 -8.420 -0.083 19.674 473 HD1 PHE 62 HD1 PHE 62 -9.328 -2.646 22.205 474 HD2 PHE 62 HD2 PHE 62 -6.990 -1.760 18.711 475 HE1 PHE 62 HE1 PHE 62 -8.791 -5.055 21.952 476 HE2 PHE 62 HE2 PHE 62 -6.455 -4.169 18.459 477 HZ PHE 62 HZ PHE 62 -7.357 -5.816 20.078 478 H ASN 63 H ASN 63 -5.487 -0.912 22.721 479 HA ASN 63 HA ASN 63 -3.673 -0.032 20.547 480 HB2 ASN 63 HB3 ASN 63 -3.309 1.041 22.781 481 HB3 ASN 63 HB2 ASN 63 -2.970 -0.555 23.443 482 HD21 ASN 63 HD21 ASN 63 -1.152 1.873 23.037 483 HD22 ASN 63 HD22 ASN 63 0.167 1.267 22.158 484 H SER 64 H SER 64 -3.199 -1.715 19.273 485 HA SER 64 HA SER 64 -3.445 -4.433 19.983 486 HB2 SER 64 HB3 SER 64 -1.868 -3.109 17.768 487 HB3 SER 64 HB2 SER 64 -2.117 -4.847 17.901 488 HG SER 64 HG SER 64 -3.861 -2.836 17.165 489 H HIS 65 H HIS 65 -0.597 -2.298 19.825 490 HA HIS 65 HA HIS 65 0.741 -3.552 21.962 491 HB2 HIS 65 HB3 HIS 65 0.951 -5.379 20.205 492 HB3 HIS 65 HB2 HIS 65 1.976 -4.274 19.294 493 HD1 HIS 65 HD1 HIS 65 4.227 -3.492 20.499 494 HD2 HIS 65 HD2 HIS 65 2.214 -6.628 22.368 495 HE1 HIS 65 HE1 HIS 65 5.866 -4.526 22.129 496 HE2 HIS 65 HE2 HIS 65 4.654 -6.439 23.277 497 H CYS 66 H CYS 66 2.085 -2.404 18.842 498 HA CYS 66 HA CYS 66 2.754 0.188 19.980 499 HB2 CYS 66 HB3 CYS 66 4.611 -1.253 20.755 500 HB3 CYS 66 HB2 CYS 66 4.939 -1.708 19.082 501 HG CYS 66 HG CYS 66 6.127 0.439 18.749 502 H GLY 67 H GLY 67 2.857 1.733 18.441 503 HA2 GLY 67 HA3 GLY 67 3.767 2.090 16.047 504 HA3 GLY 67 HA2 GLY 67 2.560 0.874 15.633 505 H TRP 68 H TRP 68 0.822 1.775 14.760 506 HA TRP 68 HA TRP 68 -0.251 4.262 15.938 507 HB2 TRP 68 HB3 TRP 68 -0.198 3.498 13.000 508 HB3 TRP 68 HB2 TRP 68 -0.981 4.929 13.670 509 HD1 TRP 68 HD1 TRP 68 0.563 6.862 14.591 510 HE1 TRP 68 HE1 TRP 68 3.032 7.470 14.143 511 HE3 TRP 68 HE3 TRP 68 2.162 2.492 12.514 512 HZ2 TRP 68 HZ2 TRP 68 5.377 6.246 13.048 513 HZ3 TRP 68 HZ3 TRP 68 4.514 2.234 11.778 514 HH2 TRP 68 HH2 TRP 68 6.122 4.103 12.042 515 HA PRO 69 HA PRO 69 -3.418 0.764 15.878 516 HB2 PRO 69 HB3 PRO 69 -4.166 0.919 18.494 517 HB3 PRO 69 HB2 PRO 69 -2.795 -0.065 17.943 518 HG2 PRO 69 HG3 PRO 69 -2.797 2.649 19.181 519 HG3 PRO 69 HG2 PRO 69 -1.737 1.267 19.501 520 HD2 PRO 69 HD3 PRO 69 -0.965 3.344 17.925 521 HD3 PRO 69 HD2 PRO 69 -0.405 1.680 17.646 522 H SER 70 H SER 70 -5.662 1.017 15.791 523 HA SER 70 HA SER 70 -6.621 3.699 15.465 524 HB2 SER 70 HB3 SER 70 -8.703 2.673 14.820 525 HB3 SER 70 HB2 SER 70 -7.392 1.732 14.115 526 HG SER 70 HG SER 70 -8.970 0.418 15.144 527 H PHE 71 H PHE 71 -8.474 4.596 16.545 528 HA PHE 71 HA PHE 71 -8.985 3.619 19.286 529 HB2 PHE 71 HB3 PHE 71 -8.398 6.522 18.626 530 HB3 PHE 71 HB2 PHE 71 -8.765 5.854 20.210 531 HD1 PHE 71 HD1 PHE 71 -6.140 6.834 18.066 532 HD2 PHE 71 HD2 PHE 71 -7.184 3.818 20.943 533 HE1 PHE 71 HE1 PHE 71 -3.737 6.343 18.425 534 HE2 PHE 71 HE2 PHE 71 -4.779 3.331 21.303 535 HZ PHE 71 HZ PHE 71 -3.056 4.594 20.045 536 H PHE 72 H PHE 72 -10.989 4.479 20.167 537 HA PHE 72 HA PHE 72 -12.981 4.910 18.066 538 HB2 PHE 72 HB3 PHE 72 -13.437 4.475 21.030 539 HB3 PHE 72 HB2 PHE 72 -14.643 4.395 19.756 540 HD1 PHE 72 HD1 PHE 72 -12.433 2.470 21.745 541 HD2 PHE 72 HD2 PHE 72 -14.081 2.695 17.785 542 HE1 PHE 72 HE1 PHE 72 -11.905 0.075 21.390 543 HE2 PHE 72 HE2 PHE 72 -13.555 0.299 17.432 544 HZ PHE 72 HZ PHE 72 -12.467 -1.011 19.234 545 H SER 73 H SER 73 -14.898 6.396 19.147 546 HA SER 73 HA SER 73 -14.154 9.014 18.796 547 HB2 SER 73 HB3 SER 73 -16.465 8.326 18.803 548 HB3 SER 73 HB2 SER 73 -16.386 7.929 20.512 549 HG SER 73 HG SER 73 -16.719 9.955 20.924 550 HA PRO 74 HA PRO 74 -11.892 10.213 22.463 551 HB2 PRO 74 HB3 PRO 74 -12.490 12.890 22.595 552 HB3 PRO 74 HB2 PRO 74 -11.337 12.203 21.433 553 HG2 PRO 74 HG3 PRO 74 -14.205 12.933 21.036 554 HG3 PRO 74 HG2 PRO 74 -12.813 13.245 19.987 555 HD2 PRO 74 HD3 PRO 74 -14.511 11.232 19.470 556 HD3 PRO 74 HD2 PRO 74 -12.767 11.067 19.166 557 H LEU 75 H LEU 75 -12.358 11.734 24.538 558 HA LEU 75 HA LEU 75 -14.227 10.483 26.133 559 HB2 LEU 75 HB3 LEU 75 -12.661 12.986 26.279 560 HB3 LEU 75 HB2 LEU 75 -14.155 13.043 27.213 561 HG LEU 75 HG LEU 75 -13.413 10.725 28.142 562 HD11 LEU 75 HD11 LEU 75 -10.807 10.692 28.225 563 HD12 LEU 75 HD12 LEU 75 -10.903 11.722 26.799 564 HD13 LEU 75 HD13 LEU 75 -11.608 10.108 26.767 565 HD21 LEU 75 HD21 LEU 75 -11.813 11.947 29.777 566 HD22 LEU 75 HD22 LEU 75 -13.463 12.557 29.644 567 HD23 LEU 75 HD23 LEU 75 -12.149 13.387 28.814 568 H ALA 76 H ALA 76 -14.679 13.779 24.796 569 HA ALA 76 HA ALA 76 -17.494 13.161 24.257 570 HB1 ALA 76 HB1 ALA 76 -17.970 13.953 26.352 571 HB2 ALA 76 HB2 ALA 76 -17.938 15.489 25.486 572 HB3 ALA 76 HB3 ALA 76 -16.530 14.967 26.415 573 H GLY 77 H GLY 77 -14.758 14.314 23.034 574 HA2 GLY 77 HA3 GLY 77 -14.314 15.553 21.131 575 HA3 GLY 77 HA2 GLY 77 -16.043 15.851 20.975 576 H ASP 78 H ASP 78 -14.950 16.661 24.071 577 HA ASP 78 HA ASP 78 -15.117 19.517 23.483 578 HB2 ASP 78 HB3 ASP 78 -14.986 18.002 26.095 579 HB3 ASP 78 HB2 ASP 78 -15.210 19.740 25.927 580 H LYS 79 H LYS 79 -12.859 17.066 24.514 581 HA LYS 79 HA LYS 79 -10.802 19.023 25.198 582 HB2 LYS 79 HB3 LYS 79 -10.288 16.062 25.067 583 HB3 LYS 79 HB2 LYS 79 -9.559 17.269 26.120 584 HG2 LYS 79 HG3 LYS 79 -12.443 16.317 26.319 585 HG3 LYS 79 HG2 LYS 79 -11.130 15.744 27.336 586 HD2 LYS 79 HD3 LYS 79 -10.815 17.950 28.285 587 HD3 LYS 79 HD2 LYS 79 -11.988 18.641 27.159 588 HE2 LYS 79 HE3 LYS 79 -13.770 17.280 28.120 589 HE3 LYS 79 HE2 LYS 79 -12.624 16.487 29.197 590 HZ1 LYS 79 HZ1 LYS 79 -12.117 18.933 29.893 591 HZ2 LYS 79 HZ2 LYS 79 -13.464 18.125 30.542 592 HZ3 LYS 79 HZ3 LYS 79 -13.666 19.235 29.270 593 H VAL 80 H VAL 80 -11.873 17.254 22.473 594 HA VAL 80 HA VAL 80 -9.460 18.039 20.973 595 HB VAL 80 HB VAL 80 -9.485 15.885 19.748 596 HG11 VAL 80 HG11 VAL 80 -8.110 16.284 21.865 597 HG12 VAL 80 HG12 VAL 80 -8.390 14.598 21.426 598 HG13 VAL 80 HG13 VAL 80 -9.334 15.341 22.717 599 HG21 VAL 80 HG21 VAL 80 -11.933 15.406 20.263 600 HG22 VAL 80 HG22 VAL 80 -11.414 14.915 21.876 601 HG23 VAL 80 HG23 VAL 80 -10.842 14.034 20.459 602 H ILE 81 H ILE 81 -9.813 18.483 18.763 603 HA ILE 81 HA ILE 81 -12.649 18.585 17.927 604 HB ILE 81 HB ILE 81 -10.568 20.723 18.037 605 HG12 ILE 81 HG13 ILE 81 -12.553 22.166 18.315 606 HG13 ILE 81 HG12 ILE 81 -13.605 20.793 17.999 607 HG21 ILE 81 HG21 ILE 81 -12.531 20.619 15.724 608 HG22 ILE 81 HG22 ILE 81 -10.776 20.497 15.591 609 HG23 ILE 81 HG23 ILE 81 -11.518 21.999 16.149 610 HD11 ILE 81 HD11 ILE 81 -12.927 21.570 20.496 611 HD12 ILE 81 HD12 ILE 81 -11.602 20.450 20.181 612 HD13 ILE 81 HD13 ILE 81 -13.271 19.891 20.080 613 H GLU 82 H GLU 82 -13.130 17.948 15.912 614 HA GLU 82 HA GLU 82 -10.938 16.830 14.271 615 HB2 GLU 82 HB3 GLU 82 -13.839 16.083 13.921 616 HB3 GLU 82 HB2 GLU 82 -12.405 15.172 13.466 617 HG2 GLU 82 HG3 GLU 82 -11.928 15.045 16.019 618 HG3 GLU 82 HG2 GLU 82 -13.607 15.532 16.212 619 H ARG 83 H ARG 83 -10.487 17.924 12.460 620 HA ARG 83 HA ARG 83 -12.643 19.464 11.131 621 HB2 ARG 83 HB3 ARG 83 -9.772 20.322 11.576 622 HB3 ARG 83 HB2 ARG 83 -10.930 21.180 10.561 623 HG2 ARG 83 HG3 ARG 83 -12.400 21.538 12.488 624 HG3 ARG 83 HG2 ARG 83 -11.303 20.617 13.518 625 HD2 ARG 83 HD3 ARG 83 -10.879 22.992 13.838 626 HD3 ARG 83 HD2 ARG 83 -9.503 22.267 13.014 627 HE ARG 83 HE ARG 83 -10.022 23.518 11.117 628 HH11 ARG 83 HH11 ARG 83 -12.674 23.709 13.405 629 HH12 ARG 83 HH12 ARG 83 -13.490 24.958 12.526 630 HH21 ARG 83 HH21 ARG 83 -11.118 25.139 10.010 631 HH22 ARG 83 HH22 ARG 83 -12.615 25.761 10.622 632 H THR 84 H THR 84 -12.561 19.525 8.862 633 HA THR 84 HA THR 84 -10.908 17.411 7.684 634 HB THR 84 HB THR 84 -13.408 17.427 7.372 635 HG1 THR 84 HG1 THR 84 -12.589 16.235 5.858 636 HG21 THR 84 HG21 THR 84 -14.420 18.965 5.835 637 HG22 THR 84 HG22 THR 84 -12.855 19.665 5.417 638 HG23 THR 84 HG23 THR 84 -13.544 19.937 7.018 639 H ASP 85 H ASP 85 -9.607 17.704 5.891 640 HA ASP 85 HA ASP 85 -9.038 20.466 5.047 641 HB2 ASP 85 HB3 ASP 85 -7.362 19.771 6.727 642 HB3 ASP 85 HB2 ASP 85 -6.964 18.369 5.734 643 H THR 86 H THR 86 -9.347 20.590 2.913 644 HA THR 86 HA THR 86 -9.336 18.253 1.209 645 HB THR 86 HB THR 86 -9.502 21.137 0.304 646 HG1 THR 86 HG1 THR 86 -11.272 21.265 1.389 647 HG21 THR 86 HG21 THR 86 -9.282 19.278 -1.372 648 HG22 THR 86 HG22 THR 86 -10.778 20.200 -1.527 649 HG23 THR 86 HG23 THR 86 -10.795 18.612 -0.759 650 H SER 87 H SER 87 -7.101 17.832 1.904 651 HA SER 87 HA SER 87 -4.885 19.394 1.136 652 HB2 SER 87 HB3 SER 87 -4.696 17.532 2.715 653 HB3 SER 87 HB2 SER 87 -5.094 16.389 1.435 654 HG SER 87 HG SER 87 -3.110 16.512 0.762 655 H HIS 88 H HIS 88 -6.587 16.785 -0.550 656 HA HIS 88 HA HIS 88 -5.421 17.722 -3.087 657 HB2 HIS 88 HB3 HIS 88 -4.492 15.458 -1.862 658 HB3 HIS 88 HB2 HIS 88 -5.816 14.776 -2.798 659 HD1 HIS 88 HD1 HIS 88 -5.746 15.961 -5.451 660 HD2 HIS 88 HD2 HIS 88 -2.190 15.372 -3.358 661 HE1 HIS 88 HE1 HIS 88 -3.895 15.942 -7.177 662 HE2 HIS 88 HE2 HIS 88 -1.720 15.588 -5.917 663 H GLY 89 H GLY 89 -6.921 15.276 -4.325 664 HA2 GLY 89 HA3 GLY 89 -9.291 16.599 -5.052 665 HA3 GLY 89 HA2 GLY 89 -8.981 14.878 -5.269 666 H MET 90 H MET 90 -8.594 14.235 -2.527 667 HA MET 90 HA MET 90 -11.369 14.410 -1.554 668 HB2 MET 90 HB3 MET 90 -10.819 12.415 -0.199 669 HB3 MET 90 HB2 MET 90 -10.566 12.124 -1.917 670 HG2 MET 90 HG3 MET 90 -8.138 12.576 -1.615 671 HG3 MET 90 HG2 MET 90 -8.411 12.795 0.113 672 HE1 MET 90 HE1 MET 90 -8.689 8.966 -2.374 673 HE2 MET 90 HE2 MET 90 -8.255 10.591 -2.897 674 HE3 MET 90 HE3 MET 90 -9.936 10.212 -2.527 675 H VAL 91 H VAL 91 -11.373 14.153 0.993 676 HA VAL 91 HA VAL 91 -9.536 16.224 2.044 677 HB VAL 91 HB VAL 91 -11.300 16.800 3.652 678 HG11 VAL 91 HG11 VAL 91 -13.011 17.630 1.921 679 HG12 VAL 91 HG12 VAL 91 -12.008 16.819 0.718 680 HG13 VAL 91 HG13 VAL 91 -11.338 18.126 1.690 681 HG21 VAL 91 HG21 VAL 91 -13.088 14.910 2.105 682 HG22 VAL 91 HG22 VAL 91 -13.494 15.823 3.559 683 HG23 VAL 91 HG23 VAL 91 -12.345 14.488 3.647 684 H ARG 92 H ARG 92 -9.021 16.083 4.327 685 HA ARG 92 HA ARG 92 -9.037 13.334 5.418 686 HB2 ARG 92 HB3 ARG 92 -6.699 15.257 5.271 687 HB3 ARG 92 HB2 ARG 92 -6.712 13.802 6.264 688 HG2 ARG 92 HG3 ARG 92 -7.115 12.430 4.248 689 HG3 ARG 92 HG2 ARG 92 -7.076 13.889 3.257 690 HD2 ARG 92 HD3 ARG 92 -4.764 14.328 3.987 691 HD3 ARG 92 HD2 ARG 92 -4.800 12.877 4.985 692 HE ARG 92 HE ARG 92 -5.463 12.171 2.332 693 HH11 ARG 92 HH11 ARG 92 -2.704 13.280 4.188 694 HH12 ARG 92 HH12 ARG 92 -1.550 12.512 3.149 695 HH21 ARG 92 HH21 ARG 92 -3.929 11.183 1.012 696 HH22 ARG 92 HH22 ARG 92 -2.240 11.336 1.367 697 H THR 93 H THR 93 -9.169 13.252 7.737 698 HA THR 93 HA THR 93 -10.087 15.800 8.894 699 HB THR 93 HB THR 93 -10.482 13.008 9.984 700 HG1 THR 93 HG1 THR 93 -11.951 12.877 8.509 701 HG21 THR 93 HG21 THR 93 -11.614 15.726 10.674 702 HG22 THR 93 HG22 THR 93 -10.733 14.626 11.734 703 HG23 THR 93 HG23 THR 93 -12.364 14.221 11.203 704 H GLU 94 H GLU 94 -8.530 16.879 9.864 705 HA GLU 94 HA GLU 94 -6.305 15.519 11.146 706 HB2 GLU 94 HB3 GLU 94 -6.975 18.467 10.913 707 HB3 GLU 94 HB2 GLU 94 -5.484 17.816 11.591 708 HG2 GLU 94 HG3 GLU 94 -4.988 16.720 9.427 709 HG3 GLU 94 HG2 GLU 94 -6.465 17.403 8.750 710 H VAL 95 H VAL 95 -6.339 14.909 13.183 711 HA VAL 95 HA VAL 95 -8.465 15.794 14.962 712 HB VAL 95 HB VAL 95 -6.212 13.792 15.356 713 HG11 VAL 95 HG11 VAL 95 -7.812 13.075 17.300 714 HG12 VAL 95 HG12 VAL 95 -8.462 14.711 17.157 715 HG13 VAL 95 HG13 VAL 95 -6.757 14.468 17.545 716 HG21 VAL 95 HG21 VAL 95 -7.836 12.102 14.934 717 HG22 VAL 95 HG22 VAL 95 -8.093 13.300 13.667 718 HG23 VAL 95 HG23 VAL 95 -9.174 13.243 15.060 719 H ILE 96 H ILE 96 -8.230 17.455 16.267 720 HA ILE 96 HA ILE 96 -5.518 18.281 17.092 721 HB ILE 96 HB ILE 96 -6.278 20.615 17.008 722 HG12 ILE 96 HG13 ILE 96 -8.663 19.668 15.403 723 HG13 ILE 96 HG12 ILE 96 -8.780 19.887 17.148 724 HG21 ILE 96 HG21 ILE 96 -5.024 19.946 15.138 725 HG22 ILE 96 HG22 ILE 96 -6.453 20.697 14.436 726 HG23 ILE 96 HG23 ILE 96 -6.321 18.934 14.499 727 HD11 ILE 96 HD11 ILE 96 -8.658 21.899 15.017 728 HD12 ILE 96 HD12 ILE 96 -7.557 22.232 16.354 729 HD13 ILE 96 HD13 ILE 96 -9.279 22.027 16.659 730 H CYS 97 H CYS 97 -5.428 19.485 19.054 731 HA CYS 97 HA CYS 97 -7.264 18.459 21.073 732 HB2 CYS 97 HB3 CYS 97 -4.790 18.665 21.337 733 HB3 CYS 97 HB2 CYS 97 -4.967 20.402 21.378 734 H ALA 98 H ALA 98 -8.893 19.607 21.994 735 HA ALA 98 HA ALA 98 -10.037 21.776 20.681 736 HB1 ALA 98 HB1 ALA 98 -11.212 20.204 22.221 737 HB2 ALA 98 HB2 ALA 98 -11.580 21.903 22.527 738 HB3 ALA 98 HB3 ALA 98 -10.458 21.041 23.581 739 H ASN 99 H ASN 99 -7.434 21.806 22.959 740 HA ASN 99 HA ASN 99 -7.803 24.701 23.444 741 HB2 ASN 99 HB3 ASN 99 -6.083 24.330 25.248 742 HB3 ASN 99 HB2 ASN 99 -7.613 23.502 25.471 743 HD21 ASN 99 HD21 ASN 99 -7.439 21.364 26.032 744 HD22 ASN 99 HD22 ASN 99 -6.128 20.362 25.651 745 H CYS 100 H CYS 100 -5.531 22.303 22.244 746 HA CYS 100 HA CYS 100 -3.922 24.520 21.112 747 HB2 CYS 100 HB3 CYS 100 -1.869 23.182 21.485 748 HB3 CYS 100 HB2 CYS 100 -2.664 23.657 22.978 749 H GLU 101 H GLU 101 -2.589 23.884 19.233 750 HA GLU 101 HA GLU 101 -4.250 22.435 17.378 751 HB2 GLU 101 HB3 GLU 101 -1.693 24.003 17.091 752 HB3 GLU 101 HB2 GLU 101 -2.377 23.091 15.746 753 HG2 GLU 101 HG3 GLU 101 -4.437 24.346 15.848 754 HG3 GLU 101 HG2 GLU 101 -3.941 25.137 17.342 755 H SER 102 H SER 102 -4.045 20.375 18.500 756 HA SER 102 HA SER 102 -1.543 18.927 18.144 757 HB2 SER 102 HB3 SER 102 -4.198 17.990 19.245 758 HB3 SER 102 HB2 SER 102 -2.705 17.064 19.246 759 HG SER 102 HG SER 102 -2.855 18.081 21.208 760 H HIS 103 H HIS 103 -2.527 19.838 15.726 761 HA HIS 103 HA HIS 103 -4.082 17.861 14.347 762 HB2 HIS 103 HB3 HIS 103 -3.073 18.997 12.250 763 HB3 HIS 103 HB2 HIS 103 -4.152 19.943 13.262 764 HD1 HIS 103 HD1 HIS 103 -3.168 22.252 12.907 765 HD2 HIS 103 HD2 HIS 103 -0.289 19.455 14.018 766 HE1 HIS 103 HE1 HIS 103 -1.039 23.551 13.348 767 HE2 HIS 103 HE2 HIS 103 0.724 21.853 14.018 768 H LEU 104 H LEU 104 -1.589 16.960 15.813 769 HA LEU 104 HA LEU 104 0.327 16.074 13.885 770 HB2 LEU 104 HB3 LEU 104 1.156 14.706 15.770 771 HB3 LEU 104 HB2 LEU 104 0.872 16.379 16.229 772 HG LEU 104 HG LEU 104 -1.572 15.335 16.872 773 HD11 LEU 104 HD11 LEU 104 0.423 13.123 17.453 774 HD12 LEU 104 HD12 LEU 104 -0.848 13.037 16.236 775 HD13 LEU 104 HD13 LEU 104 -1.269 13.157 17.943 776 HD21 LEU 104 HD21 LEU 104 0.806 15.100 18.732 777 HD22 LEU 104 HD22 LEU 104 -0.878 15.367 19.172 778 HD23 LEU 104 HD23 LEU 104 0.022 16.632 18.341 779 H GLY 105 H GLY 105 -2.676 14.763 15.206 780 HA2 GLY 105 HA3 GLY 105 -2.266 12.206 13.822 781 HA3 GLY 105 HA2 GLY 105 -3.450 12.545 15.069 782 H HIS 106 H HIS 106 -4.492 11.242 13.168 783 HA HIS 106 HA HIS 106 -6.301 13.073 11.810 784 HB2 HIS 106 HB3 HIS 106 -4.742 12.886 10.034 785 HB3 HIS 106 HB2 HIS 106 -4.460 11.182 10.340 786 HD1 HIS 106 HD1 HIS 106 -6.270 9.507 9.461 787 HD2 HIS 106 HD2 HIS 106 -6.944 13.475 8.381 788 HE1 HIS 106 HE1 HIS 106 -8.003 9.461 7.617 789 HE2 HIS 106 HE2 HIS 106 -8.420 11.869 6.941 790 H VAL 107 H VAL 107 -8.225 11.989 11.110 791 HA VAL 107 HA VAL 107 -8.630 9.291 12.226 792 HB VAL 107 HB VAL 107 -9.457 10.952 13.836 793 HG11 VAL 107 HG11 VAL 107 -9.925 12.676 11.983 794 HG12 VAL 107 HG12 VAL 107 -11.060 12.602 13.332 795 HG13 VAL 107 HG13 VAL 107 -11.475 11.854 11.789 796 HG21 VAL 107 HG21 VAL 107 -11.548 9.361 12.340 797 HG22 VAL 107 HG22 VAL 107 -11.891 10.195 13.856 798 HG23 VAL 107 HG23 VAL 107 -10.689 8.905 13.811 799 H PHE 108 H PHE 108 -9.945 7.955 11.046 800 HA PHE 108 HA PHE 108 -11.139 9.081 8.574 801 HB2 PHE 108 HB3 PHE 108 -8.990 7.870 8.138 802 HB3 PHE 108 HB2 PHE 108 -9.724 6.411 8.798 803 HD1 PHE 108 HD1 PHE 108 -9.971 8.941 6.083 804 HD2 PHE 108 HD2 PHE 108 -11.267 5.101 7.510 805 HE1 PHE 108 HE1 PHE 108 -11.003 8.470 3.878 806 HE2 PHE 108 HE2 PHE 108 -12.299 4.631 5.304 807 HZ PHE 108 HZ PHE 108 -12.168 6.315 3.489 808 H ALA 109 H ALA 109 -13.235 8.724 8.443 809 HA ALA 109 HA ALA 109 -14.644 7.023 10.267 810 HB1 ALA 109 HB1 ALA 109 -15.400 8.773 7.956 811 HB2 ALA 109 HB2 ALA 109 -15.916 8.859 9.640 812 HB3 ALA 109 HB3 ALA 109 -16.572 7.613 8.580 813 H GLY 110 H GLY 110 -16.005 5.226 9.688 814 HA2 GLY 110 HA3 GLY 110 -16.642 3.359 8.440 815 HA3 GLY 110 HA2 GLY 110 -15.602 3.908 7.129 816 H GLU 111 H GLU 111 -14.960 3.170 10.552 817 HA GLU 111 HA GLU 111 -12.472 1.879 9.992 818 HB2 GLU 111 HB3 GLU 111 -13.007 3.060 12.126 819 HB3 GLU 111 HB2 GLU 111 -14.148 1.776 12.515 820 HG2 GLU 111 HG3 GLU 111 -12.316 0.121 12.442 821 HG3 GLU 111 HG2 GLU 111 -11.173 1.403 12.051 822 H GLY 112 H GLY 112 -15.781 0.764 10.398 823 HA2 GLY 112 HA3 GLY 112 -16.745 -1.277 9.897 824 HA3 GLY 112 HA2 GLY 112 -15.185 -1.808 9.278 825 H TYR 113 H TYR 113 -15.258 -0.559 12.505 826 HA TYR 113 HA TYR 113 -14.647 -3.218 13.562 827 HB2 TYR 113 HB3 TYR 113 -13.222 -1.154 14.029 828 HB3 TYR 113 HB2 TYR 113 -14.539 -0.599 15.063 829 HD1 TYR 113 HD1 TYR 113 -12.327 -3.560 14.456 830 HD2 TYR 113 HD2 TYR 113 -14.652 -1.338 17.307 831 HE1 TYR 113 HE1 TYR 113 -11.483 -5.013 16.278 832 HE2 TYR 113 HE2 TYR 113 -13.808 -2.794 19.128 833 HH TYR 113 HH TYR 113 -12.011 -4.267 19.620 834 H ASP 114 H ASP 114 -17.454 -1.973 12.926 835 HA ASP 114 HA ASP 114 -19.567 -2.161 13.756 836 HB2 ASP 114 HB3 ASP 114 -18.609 -4.511 14.214 837 HB3 ASP 114 HB2 ASP 114 -18.472 -3.987 15.890 838 H THR 115 H THR 115 -18.247 0.077 14.540 839 HA THR 115 HA THR 115 -19.019 0.451 17.355 840 HB THR 115 HB THR 115 -17.464 2.628 16.853 841 HG1 THR 115 HG1 THR 115 -15.731 1.999 15.605 842 HG21 THR 115 HG21 THR 115 -15.751 0.356 17.523 843 HG22 THR 115 HG22 THR 115 -17.246 0.360 18.460 844 HG23 THR 115 HG23 THR 115 -16.186 1.766 18.489 845 HA PRO 116 HA PRO 116 -22.106 3.350 16.113 846 HB2 PRO 116 HB3 PRO 116 -21.897 5.310 18.031 847 HB3 PRO 116 HB2 PRO 116 -22.643 3.726 18.313 848 HG2 PRO 116 HG3 PRO 116 -19.900 4.675 19.003 849 HG3 PRO 116 HG2 PRO 116 -21.025 3.683 19.949 850 HD2 PRO 116 HD3 PRO 116 -18.937 2.612 18.598 851 HD3 PRO 116 HD2 PRO 116 -20.465 1.734 18.802 852 H THR 117 H THR 117 -18.830 4.510 16.501 853 HA THR 117 HA THR 117 -19.422 6.911 14.877 854 HB THR 117 HB THR 117 -17.278 7.780 15.666 855 HG1 THR 117 HG1 THR 117 -15.876 6.535 16.634 856 HG21 THR 117 HG21 THR 117 -19.531 7.388 17.296 857 HG22 THR 117 HG22 THR 117 -18.186 8.484 17.609 858 HG23 THR 117 HG23 THR 117 -18.167 6.856 18.284 859 H ASP 118 H ASP 118 -17.592 3.928 14.937 860 HA ASP 118 HA ASP 118 -16.236 2.892 13.400 861 HB2 ASP 118 HB3 ASP 118 -17.937 4.509 11.484 862 HB3 ASP 118 HB2 ASP 118 -16.961 3.106 11.056 863 H LEU 119 H LEU 119 -15.185 5.297 14.556 864 HA LEU 119 HA LEU 119 -13.798 6.695 12.393 865 HB2 LEU 119 HB3 LEU 119 -13.809 7.071 15.394 866 HB3 LEU 119 HB2 LEU 119 -12.816 8.023 14.295 867 HG LEU 119 HG LEU 119 -15.824 7.796 14.005 868 HD11 LEU 119 HD11 LEU 119 -14.262 10.057 15.282 869 HD12 LEU 119 HD12 LEU 119 -15.096 8.809 16.207 870 HD13 LEU 119 HD13 LEU 119 -16.016 9.900 15.171 871 HD21 LEU 119 HD21 LEU 119 -15.445 9.946 12.721 872 HD22 LEU 119 HD22 LEU 119 -14.705 8.531 11.974 873 HD23 LEU 119 HD23 LEU 119 -13.711 9.670 12.880 874 H ARG 120 H ARG 120 -11.596 6.644 12.053 875 HA ARG 120 HA ARG 120 -10.115 4.510 13.475 876 HB2 ARG 120 HB3 ARG 120 -10.749 3.958 11.101 877 HB3 ARG 120 HB2 ARG 120 -9.741 5.308 10.580 878 HG2 ARG 120 HG3 ARG 120 -7.785 4.278 11.677 879 HG3 ARG 120 HG2 ARG 120 -8.790 2.929 12.205 880 HD2 ARG 120 HD3 ARG 120 -8.328 3.714 9.316 881 HD3 ARG 120 HD2 ARG 120 -7.500 2.400 10.144 882 HE ARG 120 HE ARG 120 -10.228 1.936 10.456 883 HH11 ARG 120 HH11 ARG 120 -7.955 2.168 7.798 884 HH12 ARG 120 HH12 ARG 120 -8.852 1.086 6.787 885 HH21 ARG 120 HH21 ARG 120 -11.363 0.537 9.107 886 HH22 ARG 120 HH22 ARG 120 -10.765 0.171 7.523 887 H TYR 121 H TYR 121 -9.522 6.384 14.914 888 HA TYR 121 HA TYR 121 -7.882 8.513 14.004 889 HB2 TYR 121 HB3 TYR 121 -8.091 7.163 16.699 890 HB3 TYR 121 HB2 TYR 121 -7.210 8.653 16.405 891 HD1 TYR 121 HD1 TYR 121 -10.572 7.089 16.373 892 HD2 TYR 121 HD2 TYR 121 -8.354 10.754 16.215 893 HE1 TYR 121 HE1 TYR 121 -12.667 8.358 16.731 894 HE2 TYR 121 HE2 TYR 121 -10.451 12.036 16.551 895 HH TYR 121 HH TYR 121 -12.648 11.783 17.356 896 H CYS 122 H CYS 122 -5.902 8.289 13.137 897 HA CYS 122 HA CYS 122 -4.207 6.012 13.971 898 HB2 CYS 122 HB3 CYS 122 -4.039 7.748 11.484 899 HB3 CYS 122 HB2 CYS 122 -2.965 6.403 11.871 900 HG CYS 122 HG CYS 122 -4.775 4.755 11.303 901 H ILE 123 H ILE 123 -3.483 6.986 15.862 902 HA ILE 123 HA ILE 123 -1.681 9.301 15.458 903 HB ILE 123 HB ILE 123 -3.406 8.929 17.924 904 HG12 ILE 123 HG13 ILE 123 -3.856 10.700 15.487 905 HG13 ILE 123 HG12 ILE 123 -4.839 9.327 15.932 906 HG21 ILE 123 HG21 ILE 123 -1.306 10.223 18.176 907 HG22 ILE 123 HG22 ILE 123 -2.714 11.278 18.312 908 HG23 ILE 123 HG23 ILE 123 -1.783 11.237 16.816 909 HD11 ILE 123 HD11 ILE 123 -5.065 10.692 18.224 910 HD12 ILE 123 HD12 ILE 123 -6.131 10.995 16.851 911 HD13 ILE 123 HD13 ILE 123 -4.743 12.054 17.144 912 H ASN 124 H ASN 124 0.171 9.351 16.687 913 HA ASN 124 HA ASN 124 0.863 6.813 18.036 914 HB2 ASN 124 HB3 ASN 124 2.187 7.974 15.982 915 HB3 ASN 124 HB2 ASN 124 2.996 8.763 17.333 916 HD21 ASN 124 HD21 ASN 124 4.222 6.776 15.542 917 HD22 ASN 124 HD22 ASN 124 4.652 5.448 16.506 918 H SER 125 H SER 125 2.373 7.040 19.900 919 HA SER 125 HA SER 125 1.441 9.226 21.615 920 HB2 SER 125 HB3 SER 125 1.197 6.959 22.484 921 HB3 SER 125 HB2 SER 125 2.921 6.669 22.273 922 HG SER 125 HG SER 125 1.580 8.012 24.244 923 H VAL 126 H VAL 126 2.714 10.924 20.815 924 HA VAL 126 HA VAL 126 5.605 10.733 20.829 925 HB VAL 126 HB VAL 126 4.309 12.164 19.208 926 HG11 VAL 126 HG11 VAL 126 4.157 14.340 21.272 927 HG12 VAL 126 HG12 VAL 126 2.874 13.123 21.253 928 HG13 VAL 126 HG13 VAL 126 3.190 14.088 19.816 929 HG21 VAL 126 HG21 VAL 126 5.922 14.129 19.468 930 HG22 VAL 126 HG22 VAL 126 6.656 12.529 19.386 931 HG23 VAL 126 HG23 VAL 126 6.488 13.343 20.941 932 H CYS 127 H CYS 127 4.871 9.929 23.261 933 HA CYS 127 HA CYS 127 5.381 10.213 25.474 934 HB2 CYS 127 HB3 CYS 127 7.332 11.597 24.545 935 HB3 CYS 127 HB2 CYS 127 6.343 13.017 24.891 936 HG CYS 127 HG CYS 127 7.877 11.454 26.951 937 H LEU 128 H LEU 128 2.914 10.277 25.078 938 HA LEU 128 HA LEU 128 1.619 12.761 25.919 939 HB2 LEU 128 HB3 LEU 128 0.511 11.530 24.175 940 HB3 LEU 128 HB2 LEU 128 0.605 10.026 25.077 941 HG LEU 128 HG LEU 128 -0.881 12.310 26.372 942 HD11 LEU 128 HD11 LEU 128 -2.966 11.558 25.144 943 HD12 LEU 128 HD12 LEU 128 -1.904 10.729 24.005 944 HD13 LEU 128 HD13 LEU 128 -1.816 12.482 24.177 945 HD21 LEU 128 HD21 LEU 128 -0.717 10.219 27.588 946 HD22 LEU 128 HD22 LEU 128 -1.224 9.300 26.183 947 HD23 LEU 128 HD23 LEU 128 -2.373 10.355 27.006 948 H THR 129 H THR 129 0.312 12.841 27.862 949 HA THR 129 HA THR 129 1.572 11.380 30.054 950 HB THR 129 HB THR 129 -0.477 13.614 30.085 951 HG1 THR 129 HG1 THR 129 2.309 13.657 30.587 952 HG21 THR 129 HG21 THR 129 0.109 13.867 32.436 953 HG22 THR 129 HG22 THR 129 1.302 12.574 32.314 954 HG23 THR 129 HG23 THR 129 -0.416 12.206 32.164 955 H LEU 130 H LEU 130 0.739 9.724 31.101 956 HA LEU 130 HA LEU 130 -1.979 8.822 30.437 957 HB2 LEU 130 HB3 LEU 130 -0.325 7.151 30.017 958 HB3 LEU 130 HB2 LEU 130 0.465 7.441 31.550 959 HG LEU 130 HG LEU 130 -0.941 5.289 31.287 960 HD11 LEU 130 HD11 LEU 130 -1.249 5.167 33.572 961 HD12 LEU 130 HD12 LEU 130 -1.815 6.828 33.709 962 HD13 LEU 130 HD13 LEU 130 -0.100 6.497 33.458 963 HD21 LEU 130 HD21 LEU 130 -2.994 6.974 30.533 964 HD22 LEU 130 HD22 LEU 130 -3.383 6.683 32.228 965 HD23 LEU 130 HD23 LEU 130 -3.208 5.327 31.118 966 H ILE 131 H ILE 131 -3.568 8.853 31.854 967 HA ILE 131 HA ILE 131 -3.007 9.740 34.612 968 HB ILE 131 HB ILE 131 -5.627 9.690 33.088 969 HG12 ILE 131 HG13 ILE 131 -4.092 11.321 32.068 970 HG13 ILE 131 HG12 ILE 131 -5.389 12.151 32.914 971 HG21 ILE 131 HG21 ILE 131 -6.139 9.613 35.402 972 HG22 ILE 131 HG22 ILE 131 -6.292 11.313 34.960 973 HG23 ILE 131 HG23 ILE 131 -4.852 10.748 35.807 974 HD11 ILE 131 HD11 ILE 131 -3.188 13.219 33.332 975 HD12 ILE 131 HD12 ILE 131 -2.591 11.706 34.014 976 HD13 ILE 131 HD13 ILE 131 -3.890 12.584 34.821 977 HA PRO 132 HA PRO 132 -4.000 5.394 35.540 978 HB2 PRO 132 HB3 PRO 132 -3.377 5.494 38.212 979 HB3 PRO 132 HB2 PRO 132 -2.172 5.272 36.930 980 HG2 PRO 132 HG3 PRO 132 -2.843 7.700 38.485 981 HG3 PRO 132 HG2 PRO 132 -1.293 7.164 37.830 982 HD2 PRO 132 HD3 PRO 132 -2.872 9.125 36.733 983 HD3 PRO 132 HD2 PRO 132 -1.636 8.203 35.849 984 H ALA 133 H ALA 133 -6.213 5.621 35.212 985 HA ALA 133 HA ALA 133 -8.018 7.071 36.752 986 HB1 ALA 133 HB1 ALA 133 -8.214 4.707 34.920 987 HB2 ALA 133 HB2 ALA 133 -8.848 6.344 34.709 988 HB3 ALA 133 HB3 ALA 133 -9.642 5.229 35.821 989 H GLU 134 H GLU 134 -7.233 3.577 36.992 990 HA GLU 134 HA GLU 134 -7.377 3.421 39.797 991 HB2 GLU 134 HB3 GLU 134 -9.822 3.905 39.311 992 HB3 GLU 134 HB2 GLU 134 -9.869 2.377 38.443 993 HG2 GLU 134 HG3 GLU 134 -9.209 1.177 40.482 994 HG3 GLU 134 HG2 GLU 134 -9.087 2.702 41.356 995 H GLU 135 H GLU 135 -8.520 1.544 36.988 996 HA GLU 135 HA GLU 135 -8.030 -0.549 36.214 997 HB2 GLU 135 HB3 GLU 135 -5.421 0.265 37.487 998 HB3 GLU 135 HB2 GLU 135 -5.615 -1.353 36.815 999 HG2 GLU 135 HG3 GLU 135 -6.167 1.202 35.273 1000 HG3 GLU 135 HG2 GLU 135 -4.654 0.300 35.192 1001 H SER 136 H SER 136 -9.652 -0.541 38.313 1002 HA SER 136 HA SER 136 -8.782 -2.869 39.923 1003 HB2 SER 136 HB3 SER 136 -8.876 -0.966 41.405 1004 HB3 SER 136 HB2 SER 136 -10.455 -0.498 40.782 1005 HG SER 136 HG SER 136 -10.257 -1.825 42.831 Start of MODEL 7 1 H MET 1 H1 MET 1 -5.178 26.497 33.499 2 HA MET 1 HA MET 1 -5.325 26.629 31.029 3 HB2 MET 1 HB3 MET 1 -7.605 25.487 32.665 4 HB3 MET 1 HB2 MET 1 -7.354 25.111 30.961 5 HG2 MET 1 HG3 MET 1 -5.017 24.364 31.551 6 HG3 MET 1 HG2 MET 1 -5.448 24.554 33.249 7 HE1 MET 1 HE1 MET 1 -7.006 22.395 34.594 8 HE2 MET 1 HE2 MET 1 -8.504 22.367 33.669 9 HE3 MET 1 HE3 MET 1 -7.717 23.904 34.007 10 H THR 2 H THR 2 -6.291 29.281 32.057 11 HA THR 2 HA THR 2 -8.900 29.847 31.151 12 HB THR 2 HB THR 2 -6.492 31.690 31.332 13 HG1 THR 2 HG1 THR 2 -8.521 30.920 33.149 14 HG21 THR 2 HG21 THR 2 -8.127 33.495 31.484 15 HG22 THR 2 HG22 THR 2 -9.456 32.340 31.381 16 HG23 THR 2 HG23 THR 2 -8.403 32.598 29.990 17 H ASN 3 H ASN 3 -5.738 30.173 29.523 18 HA ASN 3 HA ASN 3 -6.865 29.606 26.948 19 HB2 ASN 3 HB3 ASN 3 -7.588 31.971 27.271 20 HB3 ASN 3 HB2 ASN 3 -5.897 32.434 27.422 21 HD21 ASN 3 HD21 ASN 3 -6.912 33.760 25.408 22 HD22 ASN 3 HD22 ASN 3 -6.618 33.053 23.894 23 H PHE 4 H PHE 4 -5.312 28.391 26.075 24 HA PHE 4 HA PHE 4 -2.533 28.680 26.846 25 HB2 PHE 4 HB3 PHE 4 -3.961 26.852 24.910 26 HB3 PHE 4 HB2 PHE 4 -2.218 26.809 25.175 27 HD1 PHE 4 HD1 PHE 4 -5.528 26.246 26.722 28 HD2 PHE 4 HD2 PHE 4 -1.274 25.967 27.238 29 HE1 PHE 4 HE1 PHE 4 -5.864 24.839 28.737 30 HE2 PHE 4 HE2 PHE 4 -1.608 24.564 29.253 31 HZ PHE 4 HZ PHE 4 -3.903 23.998 30.002 32 H LYS 5 H LYS 5 -4.535 29.994 24.406 33 HA LYS 5 HA LYS 5 -2.746 30.251 22.238 34 HB2 LYS 5 HB3 LYS 5 -5.008 32.107 23.038 35 HB3 LYS 5 HB2 LYS 5 -4.273 31.992 21.442 36 HG2 LYS 5 HG3 LYS 5 -5.687 29.694 22.827 37 HG3 LYS 5 HG2 LYS 5 -6.455 30.752 21.648 38 HD2 LYS 5 HD3 LYS 5 -4.992 30.001 19.894 39 HD3 LYS 5 HD2 LYS 5 -3.956 29.147 21.039 40 HE2 LYS 5 HE3 LYS 5 -5.388 27.507 20.008 41 HE3 LYS 5 HE2 LYS 5 -5.934 27.741 21.673 42 HZ1 LYS 5 HZ1 LYS 5 -7.796 28.850 21.008 43 HZ2 LYS 5 HZ2 LYS 5 -7.620 27.788 19.693 44 HZ3 LYS 5 HZ3 LYS 5 -7.108 29.403 19.559 45 H LEU 6 H LEU 6 -3.317 32.213 25.093 46 HA LEU 6 HA LEU 6 -1.799 34.478 24.274 47 HB2 LEU 6 HB3 LEU 6 -2.540 33.572 27.068 48 HB3 LEU 6 HB2 LEU 6 -1.982 35.178 26.619 49 HG LEU 6 HG LEU 6 -4.528 33.861 25.609 50 HD11 LEU 6 HD11 LEU 6 -4.082 36.085 27.620 51 HD12 LEU 6 HD12 LEU 6 -4.678 34.463 27.973 52 HD13 LEU 6 HD13 LEU 6 -5.655 35.572 27.010 53 HD21 LEU 6 HD21 LEU 6 -3.239 36.547 25.069 54 HD22 LEU 6 HD22 LEU 6 -4.981 36.321 24.893 55 HD23 LEU 6 HD23 LEU 6 -3.867 35.374 23.908 56 H ILE 7 H ILE 7 -0.837 31.377 25.339 57 HA ILE 7 HA ILE 7 1.480 31.928 26.822 58 HB ILE 7 HB ILE 7 0.877 29.598 24.975 59 HG12 ILE 7 HG13 ILE 7 0.648 29.796 27.995 60 HG13 ILE 7 HG12 ILE 7 -0.712 30.060 26.904 61 HG21 ILE 7 HG21 ILE 7 3.295 29.757 25.464 62 HG22 ILE 7 HG22 ILE 7 2.588 28.394 26.326 63 HG23 ILE 7 HG23 ILE 7 2.949 29.890 27.187 64 HD11 ILE 7 HD11 ILE 7 -0.545 27.706 27.805 65 HD12 ILE 7 HD12 ILE 7 0.967 27.544 26.909 66 HD13 ILE 7 HD13 ILE 7 -0.547 27.812 26.043 67 H THR 8 H THR 8 3.583 32.246 26.285 68 HA THR 8 HA THR 8 4.120 33.453 23.712 69 HB THR 8 HB THR 8 6.312 33.982 24.706 70 HG1 THR 8 HG1 THR 8 6.951 33.075 26.495 71 HG21 THR 8 HG21 THR 8 4.277 35.405 25.146 72 HG22 THR 8 HG22 THR 8 5.527 35.525 26.384 73 HG23 THR 8 HG23 THR 8 4.088 34.548 26.675 74 H ASP 9 H ASP 9 6.161 32.883 22.560 75 HA ASP 9 HA ASP 9 6.119 30.186 21.778 76 HB2 ASP 9 HB3 ASP 9 8.136 32.384 21.319 77 HB3 ASP 9 HB2 ASP 9 8.296 30.786 20.602 78 H THR 10 H THR 10 8.282 31.950 23.974 79 HA THR 10 HA THR 10 10.150 29.865 24.385 80 HB THR 10 HB THR 10 9.345 32.102 26.275 81 HG1 THR 10 HG1 THR 10 10.382 33.281 24.908 82 HG21 THR 10 HG21 THR 10 10.656 30.148 27.277 83 HG22 THR 10 HG22 THR 10 11.443 31.724 27.390 84 HG23 THR 10 HG23 THR 10 11.959 30.569 26.162 85 H GLU 11 H GLU 11 7.197 30.788 26.149 86 HA GLU 11 HA GLU 11 7.377 28.863 28.186 87 HB2 GLU 11 HB3 GLU 11 4.999 30.243 26.953 88 HB3 GLU 11 HB2 GLU 11 4.868 29.162 28.335 89 HG2 GLU 11 HG3 GLU 11 6.422 30.561 29.611 90 HG3 GLU 11 HG2 GLU 11 6.627 31.627 28.225 91 H TRP 12 H TRP 12 6.005 28.681 24.930 92 HA TRP 12 HA TRP 12 4.802 26.133 25.197 93 HB2 TRP 12 HB3 TRP 12 5.713 27.831 22.903 94 HB3 TRP 12 HB2 TRP 12 5.334 26.141 22.590 95 HD1 TRP 12 HD1 TRP 12 3.710 29.401 22.679 96 HE1 TRP 12 HE1 TRP 12 1.145 29.138 22.856 97 HE3 TRP 12 HE3 TRP 12 3.439 24.505 24.045 98 HZ2 TRP 12 HZ2 TRP 12 -0.768 27.094 23.498 99 HZ3 TRP 12 HZ3 TRP 12 1.249 23.420 24.432 100 HH2 TRP 12 HH2 TRP 12 -0.853 24.698 24.157 101 H ARG 13 H ARG 13 8.069 27.127 24.283 102 HA ARG 13 HA ARG 13 9.018 24.576 23.500 103 HB2 ARG 13 HB3 ARG 13 10.456 27.036 24.497 104 HB3 ARG 13 HB2 ARG 13 11.284 25.599 23.897 105 HG2 ARG 13 HG3 ARG 13 10.134 25.814 21.737 106 HG3 ARG 13 HG2 ARG 13 9.262 27.226 22.332 107 HD2 ARG 13 HD3 ARG 13 11.165 27.967 21.006 108 HD3 ARG 13 HD2 ARG 13 11.438 28.378 22.697 109 HE ARG 13 HE ARG 13 12.556 25.825 22.101 110 HH11 ARG 13 HH11 ARG 13 13.124 29.250 21.612 111 HH12 ARG 13 HH12 ARG 13 14.841 29.061 21.475 112 HH21 ARG 13 HH21 ARG 13 14.789 25.627 21.915 113 HH22 ARG 13 HH22 ARG 13 15.774 27.027 21.646 114 H GLN 14 H GLN 14 9.077 26.297 26.598 115 HA GLN 14 HA GLN 14 10.476 24.112 27.903 116 HB2 GLN 14 HB3 GLN 14 10.087 25.539 29.999 117 HB3 GLN 14 HB2 GLN 14 11.134 26.202 28.751 118 HG2 GLN 14 HG3 GLN 14 9.745 27.930 28.316 119 HG3 GLN 14 HG2 GLN 14 8.302 26.945 28.415 120 HE21 GLN 14 HE21 GLN 14 8.535 29.581 29.568 121 HE22 GLN 14 HE22 GLN 14 8.385 29.418 31.249 122 H ARG 15 H ARG 15 7.201 25.024 27.352 123 HA ARG 15 HA ARG 15 5.949 23.785 29.571 124 HB2 ARG 15 HB3 ARG 15 5.118 24.730 26.867 125 HB3 ARG 15 HB2 ARG 15 4.038 23.597 27.689 126 HG2 ARG 15 HG3 ARG 15 3.734 25.063 29.535 127 HG3 ARG 15 HG2 ARG 15 5.096 26.077 29.069 128 HD2 ARG 15 HD3 ARG 15 3.894 26.796 27.064 129 HD3 ARG 15 HD2 ARG 15 2.544 25.739 27.468 130 HE ARG 15 HE ARG 15 3.189 28.293 28.709 131 HH11 ARG 15 HH11 ARG 15 1.387 25.299 28.975 132 HH12 ARG 15 HH12 ARG 15 0.244 25.954 30.099 133 HH21 ARG 15 HH21 ARG 15 1.686 29.099 30.180 134 HH22 ARG 15 HH22 ARG 15 0.413 28.087 30.775 135 H LEU 16 H LEU 16 6.734 22.551 26.320 136 HA LEU 16 HA LEU 16 6.500 19.824 27.404 137 HB2 LEU 16 HB3 LEU 16 5.552 19.144 25.090 138 HB3 LEU 16 HB2 LEU 16 4.466 19.825 26.282 139 HG LEU 16 HG LEU 16 4.158 20.663 23.918 140 HD11 LEU 16 HD11 LEU 16 3.666 21.942 26.207 141 HD12 LEU 16 HD12 LEU 16 3.381 22.686 24.638 142 HD13 LEU 16 HD13 LEU 16 4.844 23.072 25.542 143 HD21 LEU 16 HD21 LEU 16 6.465 20.856 23.185 144 HD22 LEU 16 HD22 LEU 16 6.811 22.036 24.449 145 HD23 LEU 16 HD23 LEU 16 5.716 22.450 23.132 146 H SER 17 H SER 17 7.281 18.221 25.571 147 HA SER 17 HA SER 17 10.042 18.544 25.335 148 HB2 SER 17 HB3 SER 17 8.111 16.803 23.796 149 HB3 SER 17 HB2 SER 17 9.860 16.670 23.640 150 HG SER 17 HG SER 17 8.167 15.952 25.716 151 H SER 18 H SER 18 11.392 18.894 23.516 152 HA SER 18 HA SER 18 10.768 21.134 21.949 153 HB2 SER 18 HB3 SER 18 12.794 20.588 20.678 154 HB3 SER 18 HB2 SER 18 13.077 20.384 22.405 155 HG SER 18 HG SER 18 13.682 18.453 21.825 156 H GLU 19 H GLU 19 10.430 17.680 21.329 157 HA GLU 19 HA GLU 19 9.726 17.919 18.574 158 HB2 GLU 19 HB3 GLU 19 8.650 15.603 19.005 159 HB3 GLU 19 HB2 GLU 19 10.395 15.742 19.127 160 HG2 GLU 19 HG3 GLU 19 9.134 16.272 21.711 161 HG3 GLU 19 HG2 GLU 19 8.613 14.720 21.069 162 H GLU 20 H GLU 20 7.828 17.639 21.577 163 HA GLU 20 HA GLU 20 5.271 17.698 20.446 164 HB2 GLU 20 HB3 GLU 20 6.439 18.354 23.117 165 HB3 GLU 20 HB2 GLU 20 4.812 18.941 22.782 166 HG2 GLU 20 HG3 GLU 20 5.552 16.061 22.257 167 HG3 GLU 20 HG2 GLU 20 5.063 16.595 23.865 168 H TYR 21 H TYR 21 7.545 20.305 21.162 169 HA TYR 21 HA TYR 21 5.795 22.494 20.933 170 HB2 TYR 21 HB3 TYR 21 8.065 22.698 21.830 171 HB3 TYR 21 HB2 TYR 21 8.750 22.266 20.269 172 HD1 TYR 21 HD1 TYR 21 6.882 24.882 22.127 173 HD2 TYR 21 HD2 TYR 21 8.907 23.866 18.479 174 HE1 TYR 21 HE1 TYR 21 6.822 27.261 21.427 175 HE2 TYR 21 HE2 TYR 21 8.853 26.244 17.783 176 HH TYR 21 HH TYR 21 8.706 28.538 19.091 177 H ARG 22 H ARG 22 7.896 21.012 18.409 178 HA ARG 22 HA ARG 22 6.803 22.660 16.323 179 HB2 ARG 22 HB3 ARG 22 8.182 21.356 14.806 180 HB3 ARG 22 HB2 ARG 22 9.115 21.769 16.239 181 HG2 ARG 22 HG3 ARG 22 8.672 19.511 17.169 182 HG3 ARG 22 HG2 ARG 22 7.759 19.101 15.712 183 HD2 ARG 22 HD3 ARG 22 10.661 19.966 15.710 184 HD3 ARG 22 HD2 ARG 22 10.128 18.288 15.660 185 HE ARG 22 HE ARG 22 8.806 19.596 13.587 186 HH11 ARG 22 HH11 ARG 22 12.129 18.908 14.467 187 HH12 ARG 22 HH12 ARG 22 12.677 18.876 12.824 188 HH21 ARG 22 HH21 ARG 22 9.562 19.543 11.467 189 HH22 ARG 22 HH22 ARG 22 11.234 19.232 11.142 190 H VAL 23 H VAL 23 6.268 19.396 17.451 191 HA VAL 23 HA VAL 23 4.628 18.457 15.374 192 HB VAL 23 HB VAL 23 4.913 17.680 18.283 193 HG11 VAL 23 HG11 VAL 23 2.764 16.843 17.734 194 HG12 VAL 23 HG12 VAL 23 3.848 15.482 17.446 195 HG13 VAL 23 HG13 VAL 23 3.251 16.441 16.088 196 HG21 VAL 23 HG21 VAL 23 6.323 15.939 17.444 197 HG22 VAL 23 HG22 VAL 23 6.829 17.407 16.608 198 HG23 VAL 23 HG23 VAL 23 5.815 16.234 15.782 199 H LEU 24 H LEU 24 3.855 20.077 18.423 200 HA LEU 24 HA LEU 24 1.004 20.032 17.972 201 HB2 LEU 24 HB3 LEU 24 2.716 21.433 20.032 202 HB3 LEU 24 HB2 LEU 24 0.954 21.476 20.027 203 HG LEU 24 HG LEU 24 2.552 18.894 20.075 204 HD11 LEU 24 HD11 LEU 24 1.483 20.619 22.318 205 HD12 LEU 24 HD12 LEU 24 3.117 19.993 22.112 206 HD13 LEU 24 HD13 LEU 24 1.800 18.898 22.535 207 HD21 LEU 24 HD21 LEU 24 0.278 18.121 21.079 208 HD22 LEU 24 HD22 LEU 24 0.335 18.437 19.345 209 HD23 LEU 24 HD23 LEU 24 -0.365 19.633 20.434 210 H ARG 25 H ARG 25 3.544 22.086 16.912 211 HA ARG 25 HA ARG 25 1.859 24.461 16.762 212 HB2 ARG 25 HB3 ARG 25 4.309 24.552 17.344 213 HB3 ARG 25 HB2 ARG 25 4.653 24.113 15.672 214 HG2 ARG 25 HG3 ARG 25 3.411 26.095 14.891 215 HG3 ARG 25 HG2 ARG 25 3.054 26.533 16.562 216 HD2 ARG 25 HD3 ARG 25 5.506 26.665 17.007 217 HD3 ARG 25 HD2 ARG 25 5.803 26.351 15.299 218 HE ARG 25 HE ARG 25 4.863 28.834 16.469 219 HH11 ARG 25 HH11 ARG 25 5.077 26.929 13.535 220 HH12 ARG 25 HH12 ARG 25 4.913 28.304 12.495 221 HH21 ARG 25 HH21 ARG 25 4.658 30.591 15.083 222 HH22 ARG 25 HH22 ARG 25 4.678 30.361 13.366 223 H GLU 26 H GLU 26 3.617 22.386 14.404 224 HA GLU 26 HA GLU 26 1.589 23.156 12.395 225 HB2 GLU 26 HB3 GLU 26 3.360 23.335 10.687 226 HB3 GLU 26 HB2 GLU 26 3.563 24.518 11.976 227 HG2 GLU 26 HG3 GLU 26 5.232 23.029 13.056 228 HG3 GLU 26 HG2 GLU 26 5.052 21.885 11.728 229 H ALA 27 H ALA 27 2.042 20.641 14.021 230 HA ALA 27 HA ALA 27 1.973 18.359 13.711 231 HB1 ALA 27 HB1 ALA 27 0.692 19.540 11.313 232 HB2 ALA 27 HB2 ALA 27 0.076 18.336 12.443 233 HB3 ALA 27 HB3 ALA 27 1.180 17.853 11.159 234 H GLY 28 H GLY 28 4.464 19.215 13.673 235 HA2 GLY 28 HA3 GLY 28 6.043 18.858 11.398 236 HA3 GLY 28 HA2 GLY 28 6.611 18.704 13.052 237 H THR 29 H THR 29 5.041 16.487 13.864 238 HA THR 29 HA THR 29 5.047 14.267 12.153 239 HB THR 29 HB THR 29 7.248 13.314 13.589 240 HG1 THR 29 HG1 THR 29 8.294 15.016 14.173 241 HG21 THR 29 HG21 THR 29 7.359 12.633 11.416 242 HG22 THR 29 HG22 THR 29 8.442 14.013 11.259 243 HG23 THR 29 HG23 THR 29 6.753 14.162 10.781 244 H GLU 30 H GLU 30 5.565 12.145 13.744 245 HA GLU 30 HA GLU 30 4.515 12.619 16.414 246 HB2 GLU 30 HB3 GLU 30 2.618 11.049 16.113 247 HB3 GLU 30 HB2 GLU 30 2.457 12.480 15.108 248 HG2 GLU 30 HG3 GLU 30 3.842 10.145 13.860 249 HG3 GLU 30 HG2 GLU 30 2.117 9.975 14.150 250 H ALA 31 H ALA 31 6.912 11.881 16.312 251 HA ALA 31 HA ALA 31 7.179 8.960 16.141 252 HB1 ALA 31 HB1 ALA 31 9.254 11.131 16.485 253 HB2 ALA 31 HB2 ALA 31 8.878 10.272 14.992 254 HB3 ALA 31 HB3 ALA 31 9.598 9.407 16.351 255 HA PRO 32 HA PRO 32 6.864 8.971 20.685 256 HB2 PRO 32 HB3 PRO 32 6.765 6.281 21.009 257 HB3 PRO 32 HB2 PRO 32 5.377 7.222 20.424 258 HG2 PRO 32 HG3 PRO 32 7.373 5.651 18.847 259 HG3 PRO 32 HG2 PRO 32 5.612 5.677 18.704 260 HD2 PRO 32 HD3 PRO 32 7.211 7.076 17.057 261 HD3 PRO 32 HD2 PRO 32 5.600 7.651 17.539 262 H HIS 33 H HIS 33 8.058 7.094 22.277 263 HA HIS 33 HA HIS 33 10.021 6.495 23.275 264 HB2 HIS 33 HB3 HIS 33 10.962 6.358 20.405 265 HB3 HIS 33 HB2 HIS 33 11.920 5.819 21.784 266 HD1 HIS 33 HD1 HIS 33 11.075 3.722 23.088 267 HD2 HIS 33 HD2 HIS 33 8.780 4.683 19.752 268 HE1 HIS 33 HE1 HIS 33 9.574 1.726 22.655 269 HE2 HIS 33 HE2 HIS 33 8.170 2.295 20.617 270 H THR 34 H THR 34 9.392 9.263 23.023 271 HA THR 34 HA THR 34 12.087 10.482 22.890 272 HB THR 34 HB THR 34 10.908 12.635 22.567 273 HG1 THR 34 HG1 THR 34 8.758 12.691 22.421 274 HG21 THR 34 HG21 THR 34 9.989 12.048 20.253 275 HG22 THR 34 HG22 THR 34 10.377 10.370 20.640 276 HG23 THR 34 HG23 THR 34 11.659 11.580 20.570 277 H GLY 35 H GLY 35 10.137 9.208 25.142 278 HA2 GLY 35 HA3 GLY 35 11.151 10.954 27.242 279 HA3 GLY 35 HA2 GLY 35 9.399 10.818 27.126 280 H GLU 36 H GLU 36 12.099 9.566 28.554 281 HA GLU 36 HA GLU 36 11.526 6.787 28.670 282 HB2 GLU 36 HB3 GLU 36 13.212 6.736 30.420 283 HB3 GLU 36 HB2 GLU 36 13.723 7.796 29.112 284 HG2 GLU 36 HG3 GLU 36 12.969 9.767 30.393 285 HG3 GLU 36 HG2 GLU 36 12.474 8.711 31.713 286 H TYR 37 H TYR 37 10.316 9.516 30.393 287 HA TYR 37 HA TYR 37 9.265 8.027 32.641 288 HB2 TYR 37 HB3 TYR 37 8.881 10.883 31.733 289 HB3 TYR 37 HB2 TYR 37 8.175 10.214 33.205 290 HD1 TYR 37 HD1 TYR 37 11.280 11.259 31.543 291 HD2 TYR 37 HD2 TYR 37 9.591 9.518 35.088 292 HE1 TYR 37 HE1 TYR 37 13.420 11.624 32.741 293 HE2 TYR 37 HE2 TYR 37 11.731 9.883 36.287 294 HH TYR 37 HH TYR 37 14.549 10.357 34.908 295 H THR 38 H THR 38 8.249 8.110 29.486 296 HA THR 38 HA THR 38 5.438 8.526 29.790 297 HB THR 38 HB THR 38 5.281 7.509 27.551 298 HG1 THR 38 HG1 THR 38 7.324 6.876 26.603 299 HG21 THR 38 HG21 THR 38 5.830 9.821 27.507 300 HG22 THR 38 HG22 THR 38 6.968 9.053 26.400 301 HG23 THR 38 HG23 THR 38 7.488 9.513 28.021 302 H ASN 39 H ASN 39 3.785 6.876 29.578 303 HA ASN 39 HA ASN 39 4.499 4.113 30.148 304 HB2 ASN 39 HB3 ASN 39 4.509 5.130 32.388 305 HB3 ASN 39 HB2 ASN 39 2.881 5.747 32.119 306 HD21 ASN 39 HD21 ASN 39 4.749 2.715 32.480 307 HD22 ASN 39 HD22 ASN 39 3.413 1.764 32.918 308 H THR 40 H THR 40 3.266 2.996 28.792 309 HA THR 40 HA THR 40 0.556 3.989 28.147 310 HB THR 40 HB THR 40 0.734 2.581 26.118 311 HG1 THR 40 HG1 THR 40 2.872 1.777 25.674 312 HG21 THR 40 HG21 THR 40 2.324 4.000 24.948 313 HG22 THR 40 HG22 THR 40 3.103 4.439 26.469 314 HG23 THR 40 HG23 THR 40 1.457 4.976 26.135 315 H THR 41 H THR 41 2.103 1.605 29.976 316 HA THR 41 HA THR 41 0.466 -0.660 29.552 317 HB THR 41 HB THR 41 1.921 0.215 32.070 318 HG1 THR 41 HG1 THR 41 3.567 -0.183 30.842 319 HG21 THR 41 HG21 THR 41 0.225 -1.580 32.437 320 HG22 THR 41 HG22 THR 41 1.874 -2.158 32.672 321 HG23 THR 41 HG23 THR 41 1.009 -2.542 31.184 322 H THR 42 H THR 42 0.193 2.106 31.756 323 HA THR 42 HA THR 42 -2.028 1.265 33.243 324 HB THR 42 HB THR 42 -1.343 4.104 32.461 325 HG1 THR 42 HG1 THR 42 0.319 3.902 33.707 326 HG21 THR 42 HG21 THR 42 -2.970 2.838 34.657 327 HG22 THR 42 HG22 THR 42 -3.401 4.177 33.595 328 HG23 THR 42 HG23 THR 42 -2.225 4.417 34.887 329 H GLU 43 H GLU 43 -4.210 1.521 33.007 330 HA GLU 43 HA GLU 43 -5.167 2.204 30.289 331 HB2 GLU 43 HB3 GLU 43 -6.403 0.365 32.364 332 HB3 GLU 43 HB2 GLU 43 -7.095 0.729 30.784 333 HG2 GLU 43 HG3 GLU 43 -5.087 -0.213 29.691 334 HG3 GLU 43 HG2 GLU 43 -4.406 -0.589 31.272 335 H GLY 44 H GLY 44 -4.639 4.225 32.099 336 HA2 GLY 44 HA3 GLY 44 -7.110 4.991 33.422 337 HA3 GLY 44 HA2 GLY 44 -5.588 5.863 33.455 338 H ILE 45 H ILE 45 -5.840 7.823 32.631 339 HA ILE 45 HA ILE 45 -7.501 8.154 30.203 340 HB ILE 45 HB ILE 45 -7.121 10.085 32.511 341 HG12 ILE 45 HG13 ILE 45 -9.716 8.788 31.645 342 HG13 ILE 45 HG12 ILE 45 -8.642 7.974 32.779 343 HG21 ILE 45 HG21 ILE 45 -8.606 11.573 31.367 344 HG22 ILE 45 HG22 ILE 45 -9.025 10.349 30.170 345 HG23 ILE 45 HG23 ILE 45 -7.417 11.078 30.158 346 HD11 ILE 45 HD11 ILE 45 -8.844 9.680 34.391 347 HD12 ILE 45 HD12 ILE 45 -10.486 9.464 33.778 348 HD13 ILE 45 HD13 ILE 45 -9.512 10.828 33.226 349 H TYR 46 H TYR 46 -6.601 9.118 28.523 350 HA TYR 46 HA TYR 46 -3.814 9.753 28.487 351 HB2 TYR 46 HB3 TYR 46 -6.070 9.914 26.510 352 HB3 TYR 46 HB2 TYR 46 -4.530 10.679 26.141 353 HD1 TYR 46 HD1 TYR 46 -5.914 7.413 27.384 354 HD2 TYR 46 HD2 TYR 46 -2.887 9.410 25.084 355 HE1 TYR 46 HE1 TYR 46 -5.006 5.215 26.675 356 HE2 TYR 46 HE2 TYR 46 -1.970 7.211 24.381 357 HH TYR 46 HH TYR 46 -3.591 4.408 24.561 358 H SER 47 H SER 47 -2.820 11.749 28.459 359 HA SER 47 HA SER 47 -4.531 14.111 28.521 360 HB2 SER 47 HB3 SER 47 -3.184 15.066 30.397 361 HB3 SER 47 HB2 SER 47 -4.202 13.706 30.852 362 HG SER 47 HG SER 47 -1.960 13.649 31.596 363 H CYS 48 H CYS 48 -3.873 15.609 27.217 364 HA CYS 48 HA CYS 48 -1.655 15.415 25.528 365 HB2 CYS 48 HB3 CYS 48 -3.678 16.737 25.055 366 HB3 CYS 48 HB2 CYS 48 -3.261 17.861 26.333 367 H ARG 49 H ARG 49 0.437 15.905 25.801 368 HA ARG 49 HA ARG 49 1.525 16.653 28.292 369 HB2 ARG 49 HB3 ARG 49 2.769 15.431 26.505 370 HB3 ARG 49 HB2 ARG 49 2.798 16.909 25.551 371 HG2 ARG 49 HG3 ARG 49 4.907 16.823 26.670 372 HG3 ARG 49 HG2 ARG 49 3.952 18.017 27.546 373 HD2 ARG 49 HD3 ARG 49 5.074 16.535 29.135 374 HD3 ARG 49 HD2 ARG 49 3.337 16.270 29.208 375 HE ARG 49 HE ARG 49 4.512 14.478 27.340 376 HH11 ARG 49 HH11 ARG 49 4.256 15.024 30.795 377 HH12 ARG 49 HH12 ARG 49 4.461 13.350 31.190 378 HH21 ARG 49 HH21 ARG 49 4.774 12.314 27.901 379 HH22 ARG 49 HH22 ARG 49 4.751 11.831 29.564 380 H ALA 50 H ALA 50 0.630 18.485 25.449 381 HA ALA 50 HA ALA 50 1.851 20.937 25.959 382 HB1 ALA 50 HB1 ALA 50 -0.848 20.931 24.717 383 HB2 ALA 50 HB2 ALA 50 0.382 19.917 23.962 384 HB3 ALA 50 HB3 ALA 50 0.665 21.645 24.144 385 H CYS 51 H CYS 51 -1.504 19.958 26.773 386 HA CYS 51 HA CYS 51 -1.589 22.224 28.682 387 HB2 CYS 51 HB3 CYS 51 -4.185 21.945 28.255 388 HB3 CYS 51 HB2 CYS 51 -3.184 22.917 27.184 389 H GLY 52 H GLY 52 -2.549 18.888 28.101 390 HA2 GLY 52 HA3 GLY 52 -2.502 17.231 29.822 391 HA3 GLY 52 HA2 GLY 52 -2.776 18.495 31.013 392 H THR 53 H THR 53 -4.591 18.281 28.020 393 HA THR 53 HA THR 53 -7.082 18.135 29.512 394 HB THR 53 HB THR 53 -7.638 17.848 26.757 395 HG1 THR 53 HG1 THR 53 -6.294 19.146 25.720 396 HG21 THR 53 HG21 THR 53 -8.481 19.480 28.726 397 HG22 THR 53 HG22 THR 53 -8.789 19.777 27.017 398 HG23 THR 53 HG23 THR 53 -7.451 20.595 27.821 399 H GLU 54 H GLU 54 -8.721 16.529 29.249 400 HA GLU 54 HA GLU 54 -7.663 13.844 29.059 401 HB2 GLU 54 HB3 GLU 54 -10.511 14.798 29.443 402 HB3 GLU 54 HB2 GLU 54 -9.957 13.134 29.618 403 HG2 GLU 54 HG3 GLU 54 -8.402 13.888 31.419 404 HG3 GLU 54 HG2 GLU 54 -9.082 15.508 31.275 405 H LEU 55 H LEU 55 -6.970 14.341 26.803 406 HA LEU 55 HA LEU 55 -8.717 14.632 24.635 407 HB2 LEU 55 HB3 LEU 55 -5.919 13.602 24.987 408 HB3 LEU 55 HB2 LEU 55 -6.700 13.427 23.419 409 HG LEU 55 HG LEU 55 -7.159 15.907 23.449 410 HD11 LEU 55 HD11 LEU 55 -7.120 16.257 25.841 411 HD12 LEU 55 HD12 LEU 55 -5.954 17.305 25.048 412 HD13 LEU 55 HD13 LEU 55 -5.404 15.857 25.886 413 HD21 LEU 55 HD21 LEU 55 -4.782 16.597 23.115 414 HD22 LEU 55 HD22 LEU 55 -5.228 15.134 22.234 415 HD23 LEU 55 HD23 LEU 55 -4.295 15.017 23.727 416 H PHE 56 H PHE 56 -7.506 11.681 26.175 417 HA PHE 56 HA PHE 56 -9.718 10.190 24.975 418 HB2 PHE 56 HB3 PHE 56 -6.809 9.403 24.639 419 HB3 PHE 56 HB2 PHE 56 -8.175 8.349 24.277 420 HD1 PHE 56 HD1 PHE 56 -6.230 11.257 23.206 421 HD2 PHE 56 HD2 PHE 56 -9.749 8.914 22.443 422 HE1 PHE 56 HE1 PHE 56 -6.447 12.310 20.970 423 HE2 PHE 56 HE2 PHE 56 -9.965 9.967 20.208 424 HZ PHE 56 HZ PHE 56 -8.315 11.665 19.473 425 H ARG 57 H ARG 57 -9.873 7.942 25.943 426 HA ARG 57 HA ARG 57 -8.485 7.524 28.454 427 HB2 ARG 57 HB3 ARG 57 -10.511 7.364 29.820 428 HB3 ARG 57 HB2 ARG 57 -10.323 8.985 29.161 429 HG2 ARG 57 HG3 ARG 57 -11.898 8.331 27.306 430 HG3 ARG 57 HG2 ARG 57 -12.157 6.810 28.149 431 HD2 ARG 57 HD3 ARG 57 -12.592 9.498 29.452 432 HD3 ARG 57 HD2 ARG 57 -13.879 8.607 28.649 433 HE ARG 57 HE ARG 57 -12.684 6.854 30.469 434 HH11 ARG 57 HH11 ARG 57 -14.472 9.868 30.579 435 HH12 ARG 57 HH12 ARG 57 -15.134 9.550 32.148 436 HH21 ARG 57 HH21 ARG 57 -13.569 6.482 32.505 437 HH22 ARG 57 HH22 ARG 57 -14.626 7.649 33.227 438 H SER 58 H SER 58 -9.013 5.429 29.427 439 HA SER 58 HA SER 58 -8.873 3.366 27.527 440 HB2 SER 58 HB3 SER 58 -8.958 1.856 29.438 441 HB3 SER 58 HB2 SER 58 -7.913 3.230 29.787 442 HG SER 58 HG SER 58 -9.173 3.577 31.422 443 H THR 59 H THR 59 -11.700 4.859 28.933 444 HA THR 59 HA THR 59 -13.473 2.694 28.867 445 HB THR 59 HB THR 59 -13.845 5.102 29.776 446 HG1 THR 59 HG1 THR 59 -16.017 4.670 29.754 447 HG21 THR 59 HG21 THR 59 -14.729 6.740 28.426 448 HG22 THR 59 HG22 THR 59 -15.457 5.585 27.315 449 HG23 THR 59 HG23 THR 59 -13.738 5.940 27.209 450 H GLU 60 H GLU 60 -12.356 4.754 26.244 451 HA GLU 60 HA GLU 60 -14.001 3.204 24.343 452 HB2 GLU 60 HB3 GLU 60 -13.144 6.010 24.483 453 HB3 GLU 60 HB2 GLU 60 -12.840 5.295 22.903 454 HG2 GLU 60 HG3 GLU 60 -15.062 6.228 22.843 455 HG3 GLU 60 HG2 GLU 60 -15.242 4.476 22.918 456 H LYS 61 H LYS 61 -11.150 2.721 25.646 457 HA LYS 61 HA LYS 61 -9.482 2.464 23.280 458 HB2 LYS 61 HB3 LYS 61 -8.477 3.058 25.443 459 HB3 LYS 61 HB2 LYS 61 -9.053 1.548 26.140 460 HG2 LYS 61 HG3 LYS 61 -7.659 0.276 24.553 461 HG3 LYS 61 HG2 LYS 61 -7.099 1.779 23.828 462 HD2 LYS 61 HD3 LYS 61 -6.122 2.465 25.988 463 HD3 LYS 61 HD2 LYS 61 -6.684 0.960 26.716 464 HE2 LYS 61 HE3 LYS 61 -5.303 -0.331 25.133 465 HE3 LYS 61 HE2 LYS 61 -4.745 1.170 24.392 466 HZ1 LYS 61 HZ1 LYS 61 -4.102 0.040 27.021 467 HZ2 LYS 61 HZ2 LYS 61 -4.111 1.729 26.846 468 HZ3 LYS 61 HZ3 LYS 61 -3.082 0.778 25.885 469 H PHE 62 H PHE 62 -9.573 0.800 21.955 470 HA PHE 62 HA PHE 62 -11.069 -1.597 22.709 471 HB2 PHE 62 HB3 PHE 62 -11.362 -0.461 20.476 472 HB3 PHE 62 HB2 PHE 62 -9.732 -0.993 20.063 473 HD1 PHE 62 HD1 PHE 62 -13.167 -2.117 20.857 474 HD2 PHE 62 HD2 PHE 62 -9.243 -3.314 19.591 475 HE1 PHE 62 HE1 PHE 62 -14.053 -4.342 20.221 476 HE2 PHE 62 HE2 PHE 62 -10.128 -5.542 18.955 477 HZ PHE 62 HZ PHE 62 -12.534 -6.056 19.269 478 H ASN 63 H ASN 63 -7.926 -1.053 21.086 479 HA ASN 63 HA ASN 63 -6.516 -2.802 22.873 480 HB2 ASN 63 HB3 ASN 63 -7.814 -4.372 21.334 481 HB3 ASN 63 HB2 ASN 63 -6.783 -3.784 20.033 482 HD21 ASN 63 HD21 ASN 63 -5.524 -5.694 19.721 483 HD22 ASN 63 HD22 ASN 63 -4.511 -6.339 20.922 484 H SER 64 H SER 64 -4.511 -2.040 22.983 485 HA SER 64 HA SER 64 -3.334 -0.746 20.591 486 HB2 SER 64 HB3 SER 64 -3.107 0.136 23.477 487 HB3 SER 64 HB2 SER 64 -2.203 0.832 22.136 488 HG SER 64 HG SER 64 -3.897 2.000 21.760 489 H HIS 65 H HIS 65 -1.207 -1.191 20.164 490 HA HIS 65 HA HIS 65 0.324 -2.768 22.104 491 HB2 HIS 65 HB3 HIS 65 -0.888 -4.361 20.583 492 HB3 HIS 65 HB2 HIS 65 -0.002 -3.662 19.229 493 HD1 HIS 65 HD1 HIS 65 0.797 -5.229 22.623 494 HD2 HIS 65 HD2 HIS 65 2.424 -4.911 18.798 495 HE1 HIS 65 HE1 HIS 65 2.909 -6.627 22.624 496 HE2 HIS 65 HE2 HIS 65 3.912 -6.444 20.300 497 H CYS 66 H CYS 66 0.782 -1.979 18.634 498 HA CYS 66 HA CYS 66 2.733 0.069 19.203 499 HB2 CYS 66 HB3 CYS 66 4.047 -1.979 19.649 500 HB3 CYS 66 HB2 CYS 66 3.690 -2.547 18.017 501 HG CYS 66 HG CYS 66 4.912 -0.222 17.222 502 H GLY 67 H GLY 67 2.995 1.410 17.499 503 HA2 GLY 67 HA3 GLY 67 3.164 1.959 15.193 504 HA3 GLY 67 HA2 GLY 67 2.256 0.503 14.803 505 H TRP 68 H TRP 68 1.991 3.756 16.165 506 HA TRP 68 HA TRP 68 0.213 5.193 16.406 507 HB2 TRP 68 HB3 TRP 68 -0.459 3.945 13.728 508 HB3 TRP 68 HB2 TRP 68 -1.166 5.434 14.350 509 HD1 TRP 68 HD1 TRP 68 0.379 7.586 14.479 510 HE1 TRP 68 HE1 TRP 68 2.610 8.185 13.331 511 HE3 TRP 68 HE3 TRP 68 1.804 2.957 12.856 512 HZ2 TRP 68 HZ2 TRP 68 4.714 6.872 11.905 513 HZ3 TRP 68 HZ3 TRP 68 3.921 2.662 11.604 514 HH2 TRP 68 HH2 TRP 68 5.378 4.610 11.127 515 HA PRO 69 HA PRO 69 -2.590 1.674 17.996 516 HB2 PRO 69 HB3 PRO 69 -2.568 3.583 20.304 517 HB3 PRO 69 HB2 PRO 69 -2.519 1.808 20.307 518 HG2 PRO 69 HG3 PRO 69 -0.333 3.184 20.808 519 HG3 PRO 69 HG2 PRO 69 -0.263 1.740 19.780 520 HD2 PRO 69 HD3 PRO 69 -0.190 4.634 18.972 521 HD3 PRO 69 HD2 PRO 69 0.716 3.254 18.307 522 H SER 70 H SER 70 -4.805 1.758 17.837 523 HA SER 70 HA SER 70 -6.009 4.413 17.366 524 HB2 SER 70 HB3 SER 70 -7.704 3.236 16.056 525 HB3 SER 70 HB2 SER 70 -6.093 2.840 15.465 526 HG SER 70 HG SER 70 -7.880 1.140 16.123 527 H PHE 71 H PHE 71 -8.120 4.840 18.126 528 HA PHE 71 HA PHE 71 -9.139 3.129 20.300 529 HB2 PHE 71 HB3 PHE 71 -8.830 6.125 20.594 530 HB3 PHE 71 HB2 PHE 71 -9.392 4.993 21.811 531 HD1 PHE 71 HD1 PHE 71 -6.564 6.759 20.587 532 HD2 PHE 71 HD2 PHE 71 -7.711 3.048 22.420 533 HE1 PHE 71 HE1 PHE 71 -4.233 6.424 21.364 534 HE2 PHE 71 HE2 PHE 71 -5.381 2.713 23.197 535 HZ PHE 71 HZ PHE 71 -3.641 4.400 22.670 536 H PHE 72 H PHE 72 -11.351 4.076 21.022 537 HA PHE 72 HA PHE 72 -12.937 4.532 18.620 538 HB2 PHE 72 HB3 PHE 72 -13.674 4.005 21.511 539 HB3 PHE 72 HB2 PHE 72 -14.865 4.349 20.280 540 HD1 PHE 72 HD1 PHE 72 -12.377 2.529 18.549 541 HD2 PHE 72 HD2 PHE 72 -15.456 1.996 21.509 542 HE1 PHE 72 HE1 PHE 72 -12.493 0.117 18.002 543 HE2 PHE 72 HE2 PHE 72 -15.564 -0.412 20.952 544 HZ PHE 72 HZ PHE 72 -14.086 -1.352 19.200 545 H SER 73 H SER 73 -15.013 6.121 19.613 546 HA SER 73 HA SER 73 -14.227 8.693 19.104 547 HB2 SER 73 HB3 SER 73 -16.573 7.897 19.273 548 HB3 SER 73 HB2 SER 73 -16.428 7.911 21.022 549 HG SER 73 HG SER 73 -16.327 10.066 21.008 550 HA PRO 74 HA PRO 74 -11.894 10.030 22.686 551 HB2 PRO 74 HB3 PRO 74 -12.379 12.736 22.633 552 HB3 PRO 74 HB2 PRO 74 -11.244 11.923 21.537 553 HG2 PRO 74 HG3 PRO 74 -14.066 12.761 21.049 554 HG3 PRO 74 HG2 PRO 74 -12.649 12.915 19.997 555 HD2 PRO 74 HD3 PRO 74 -14.466 10.961 19.626 556 HD3 PRO 74 HD2 PRO 74 -12.734 10.688 19.327 557 H LEU 75 H LEU 75 -12.317 11.730 24.643 558 HA LEU 75 HA LEU 75 -14.224 10.652 26.311 559 HB2 LEU 75 HB3 LEU 75 -12.589 13.108 26.288 560 HB3 LEU 75 HB2 LEU 75 -14.097 13.294 27.187 561 HG LEU 75 HG LEU 75 -13.455 11.030 28.308 562 HD11 LEU 75 HD11 LEU 75 -11.651 10.315 26.934 563 HD12 LEU 75 HD12 LEU 75 -10.901 10.838 28.440 564 HD13 LEU 75 HD13 LEU 75 -10.858 11.878 27.024 565 HD21 LEU 75 HD21 LEU 75 -11.851 12.303 29.881 566 HD22 LEU 75 HD22 LEU 75 -13.459 12.992 29.649 567 HD23 LEU 75 HD23 LEU 75 -12.078 13.674 28.796 568 H ALA 76 H ALA 76 -14.610 13.846 24.719 569 HA ALA 76 HA ALA 76 -17.417 13.226 24.180 570 HB1 ALA 76 HB1 ALA 76 -16.981 14.301 26.576 571 HB2 ALA 76 HB2 ALA 76 -18.390 14.734 25.603 572 HB3 ALA 76 HB3 ALA 76 -16.977 15.789 25.627 573 H GLY 77 H GLY 77 -14.635 14.401 23.013 574 HA2 GLY 77 HA3 GLY 77 -14.211 15.522 21.019 575 HA3 GLY 77 HA2 GLY 77 -15.928 15.887 20.894 576 H ASP 78 H ASP 78 -14.942 16.757 23.960 577 HA ASP 78 HA ASP 78 -14.928 19.588 23.295 578 HB2 ASP 78 HB3 ASP 78 -15.022 18.056 25.895 579 HB3 ASP 78 HB2 ASP 78 -14.950 19.810 25.798 580 H LYS 79 H LYS 79 -12.760 17.072 24.317 581 HA LYS 79 HA LYS 79 -10.665 18.994 25.009 582 HB2 LYS 79 HB3 LYS 79 -10.190 16.034 25.082 583 HB3 LYS 79 HB2 LYS 79 -9.528 17.296 26.104 584 HG2 LYS 79 HG3 LYS 79 -12.422 16.374 26.202 585 HG3 LYS 79 HG2 LYS 79 -11.172 15.844 27.313 586 HD2 LYS 79 HD3 LYS 79 -10.868 18.103 28.146 587 HD3 LYS 79 HD2 LYS 79 -11.998 18.732 26.944 588 HE2 LYS 79 HE3 LYS 79 -13.813 17.408 27.915 589 HE3 LYS 79 HE2 LYS 79 -12.702 16.703 29.085 590 HZ1 LYS 79 HZ1 LYS 79 -12.238 19.172 29.660 591 HZ2 LYS 79 HZ2 LYS 79 -13.639 18.425 30.267 592 HZ3 LYS 79 HZ3 LYS 79 -13.736 19.454 28.918 593 H VAL 80 H VAL 80 -11.746 17.151 22.361 594 HA VAL 80 HA VAL 80 -9.299 17.790 20.856 595 HB VAL 80 HB VAL 80 -9.428 15.613 19.668 596 HG11 VAL 80 HG11 VAL 80 -9.119 15.508 22.671 597 HG12 VAL 80 HG12 VAL 80 -7.852 15.798 21.474 598 HG13 VAL 80 HG13 VAL 80 -8.618 14.212 21.584 599 HG21 VAL 80 HG21 VAL 80 -11.312 14.722 21.867 600 HG22 VAL 80 HG22 VAL 80 -10.818 13.830 20.426 601 HG23 VAL 80 HG23 VAL 80 -11.882 15.229 20.273 602 H ILE 81 H ILE 81 -9.637 18.235 18.655 603 HA ILE 81 HA ILE 81 -12.471 18.418 17.821 604 HB ILE 81 HB ILE 81 -10.300 20.471 17.852 605 HG12 ILE 81 HG13 ILE 81 -12.220 21.999 18.145 606 HG13 ILE 81 HG12 ILE 81 -13.332 20.660 17.884 607 HG21 ILE 81 HG21 ILE 81 -10.580 20.194 15.414 608 HG22 ILE 81 HG22 ILE 81 -11.233 21.742 15.956 609 HG23 ILE 81 HG23 ILE 81 -12.325 20.405 15.590 610 HD11 ILE 81 HD11 ILE 81 -12.954 19.767 19.970 611 HD12 ILE 81 HD12 ILE 81 -12.584 21.450 20.345 612 HD13 ILE 81 HD13 ILE 81 -11.277 20.312 20.025 613 H GLU 82 H GLU 82 -13.010 17.704 15.874 614 HA GLU 82 HA GLU 82 -10.892 16.499 14.191 615 HB2 GLU 82 HB3 GLU 82 -13.793 15.692 14.030 616 HB3 GLU 82 HB2 GLU 82 -12.365 14.769 13.584 617 HG2 GLU 82 HG3 GLU 82 -11.776 14.770 16.092 618 HG3 GLU 82 HG2 GLU 82 -13.417 15.344 16.360 619 H ARG 83 H ARG 83 -10.565 17.502 12.290 620 HA ARG 83 HA ARG 83 -12.847 18.794 10.933 621 HB2 ARG 83 HB3 ARG 83 -10.141 20.069 11.407 622 HB3 ARG 83 HB2 ARG 83 -11.392 20.723 10.348 623 HG2 ARG 83 HG3 ARG 83 -12.940 20.890 12.249 624 HG3 ARG 83 HG2 ARG 83 -11.721 20.195 13.318 625 HD2 ARG 83 HD3 ARG 83 -11.671 22.605 13.572 626 HD3 ARG 83 HD2 ARG 83 -10.203 22.103 12.736 627 HE ARG 83 HE ARG 83 -12.233 22.740 10.848 628 HH11 ARG 83 HH11 ARG 83 -10.020 24.279 13.091 629 HH12 ARG 83 HH12 ARG 83 -9.942 25.751 12.180 630 HH21 ARG 83 HH21 ARG 83 -12.100 24.669 9.698 631 HH22 ARG 83 HH22 ARG 83 -11.112 25.969 10.278 632 H THR 84 H THR 84 -12.668 18.924 8.660 633 HA THR 84 HA THR 84 -10.882 16.920 7.520 634 HB THR 84 HB THR 84 -13.383 17.030 7.069 635 HG1 THR 84 HG1 THR 84 -12.008 15.838 5.776 636 HG21 THR 84 HG21 THR 84 -12.525 19.340 5.307 637 HG22 THR 84 HG22 THR 84 -13.592 19.452 6.707 638 HG23 THR 84 HG23 THR 84 -14.109 18.565 5.273 639 H ASP 85 H ASP 85 -9.358 17.310 5.915 640 HA ASP 85 HA ASP 85 -8.776 20.142 5.281 641 HB2 ASP 85 HB3 ASP 85 -7.282 19.314 7.088 642 HB3 ASP 85 HB2 ASP 85 -6.717 18.048 6.007 643 H THR 86 H THR 86 -8.849 20.428 3.163 644 HA THR 86 HA THR 86 -8.645 18.297 1.253 645 HB THR 86 HB THR 86 -8.649 21.259 0.636 646 HG1 THR 86 HG1 THR 86 -10.361 20.883 2.031 647 HG21 THR 86 HG21 THR 86 -9.935 18.962 -0.847 648 HG22 THR 86 HG22 THR 86 -8.273 19.469 -1.147 649 HG23 THR 86 HG23 THR 86 -9.603 20.589 -1.442 650 H SER 87 H SER 87 -6.540 17.668 1.987 651 HA SER 87 HA SER 87 -4.215 19.221 1.854 652 HB2 SER 87 HB3 SER 87 -4.579 16.249 1.474 653 HB3 SER 87 HB2 SER 87 -3.012 17.036 1.639 654 HG SER 87 HG SER 87 -4.877 16.427 3.526 655 H HIS 88 H HIS 88 -5.563 17.071 -0.714 656 HA HIS 88 HA HIS 88 -4.727 18.777 -2.818 657 HB2 HIS 88 HB3 HIS 88 -2.472 17.925 -2.037 658 HB3 HIS 88 HB2 HIS 88 -2.978 16.322 -2.558 659 HD1 HIS 88 HD1 HIS 88 -2.906 19.829 -4.087 660 HD2 HIS 88 HD2 HIS 88 -2.253 15.857 -5.174 661 HE1 HIS 88 HE1 HIS 88 -2.184 19.860 -6.515 662 HE2 HIS 88 HE2 HIS 88 -1.783 17.446 -7.192 663 H GLY 89 H GLY 89 -6.864 18.281 -3.459 664 HA2 GLY 89 HA3 GLY 89 -8.230 17.279 -5.057 665 HA3 GLY 89 HA2 GLY 89 -7.066 15.969 -5.195 666 H MET 90 H MET 90 -7.385 16.052 -2.019 667 HA MET 90 HA MET 90 -9.964 14.743 -1.743 668 HB2 MET 90 HB3 MET 90 -8.997 12.688 -0.883 669 HB3 MET 90 HB2 MET 90 -8.342 13.026 -2.482 670 HG2 MET 90 HG3 MET 90 -6.298 13.966 -1.474 671 HG3 MET 90 HG2 MET 90 -6.939 13.630 0.135 672 HE1 MET 90 HE1 MET 90 -6.046 10.602 -3.152 673 HE2 MET 90 HE2 MET 90 -4.883 11.904 -2.915 674 HE3 MET 90 HE3 MET 90 -6.561 12.289 -3.281 675 H VAL 91 H VAL 91 -10.533 14.419 0.537 676 HA VAL 91 HA VAL 91 -9.040 16.271 2.292 677 HB VAL 91 HB VAL 91 -11.145 16.661 3.482 678 HG11 VAL 91 HG11 VAL 91 -12.351 17.812 1.528 679 HG12 VAL 91 HG12 VAL 91 -11.061 17.159 0.514 680 HG13 VAL 91 HG13 VAL 91 -10.677 18.265 1.830 681 HG21 VAL 91 HG21 VAL 91 -12.516 15.143 1.259 682 HG22 VAL 91 HG22 VAL 91 -13.233 15.776 2.740 683 HG23 VAL 91 HG23 VAL 91 -12.131 14.402 2.811 684 H ARG 92 H ARG 92 -8.685 15.754 4.414 685 HA ARG 92 HA ARG 92 -9.306 13.003 5.289 686 HB2 ARG 92 HB3 ARG 92 -6.632 14.337 5.057 687 HB3 ARG 92 HB2 ARG 92 -6.917 13.354 6.488 688 HG2 ARG 92 HG3 ARG 92 -6.007 11.804 4.981 689 HG3 ARG 92 HG2 ARG 92 -7.739 11.539 4.802 690 HD2 ARG 92 HD3 ARG 92 -7.808 12.818 2.774 691 HD3 ARG 92 HD2 ARG 92 -6.171 13.416 3.018 692 HE ARG 92 HE ARG 92 -6.944 10.809 1.983 693 HH11 ARG 92 HH11 ARG 92 -4.371 12.732 3.389 694 HH12 ARG 92 HH12 ARG 92 -3.116 11.708 2.776 695 HH21 ARG 92 HH21 ARG 92 -5.283 9.509 1.206 696 HH22 ARG 92 HH22 ARG 92 -3.630 9.898 1.549 697 H THR 93 H THR 93 -9.839 12.850 7.465 698 HA THR 93 HA THR 93 -10.381 15.383 8.796 699 HB THR 93 HB THR 93 -10.943 12.589 9.807 700 HG1 THR 93 HG1 THR 93 -12.438 12.545 8.354 701 HG21 THR 93 HG21 THR 93 -11.134 14.190 11.573 702 HG22 THR 93 HG22 THR 93 -12.779 13.886 11.016 703 HG23 THR 93 HG23 THR 93 -11.937 15.354 10.520 704 H GLU 94 H GLU 94 -8.723 16.295 9.800 705 HA GLU 94 HA GLU 94 -6.641 14.689 11.024 706 HB2 GLU 94 HB3 GLU 94 -5.535 16.860 11.454 707 HB3 GLU 94 HB2 GLU 94 -5.959 16.668 9.756 708 HG2 GLU 94 HG3 GLU 94 -7.971 18.054 10.086 709 HG3 GLU 94 HG2 GLU 94 -7.585 18.221 11.797 710 H VAL 95 H VAL 95 -6.118 14.737 13.183 711 HA VAL 95 HA VAL 95 -8.333 15.489 14.982 712 HB VAL 95 HB VAL 95 -6.086 13.480 15.362 713 HG11 VAL 95 HG11 VAL 95 -7.565 12.831 17.383 714 HG12 VAL 95 HG12 VAL 95 -8.316 14.417 17.188 715 HG13 VAL 95 HG13 VAL 95 -6.589 14.293 17.536 716 HG21 VAL 95 HG21 VAL 95 -7.996 12.930 13.752 717 HG22 VAL 95 HG22 VAL 95 -9.067 12.987 15.152 718 HG23 VAL 95 HG23 VAL 95 -7.767 11.796 15.084 719 H ILE 96 H ILE 96 -8.060 17.176 16.222 720 HA ILE 96 HA ILE 96 -5.339 18.017 17.003 721 HB ILE 96 HB ILE 96 -6.122 20.354 16.940 722 HG12 ILE 96 HG13 ILE 96 -8.459 19.395 15.279 723 HG13 ILE 96 HG12 ILE 96 -8.609 19.606 17.020 724 HG21 ILE 96 HG21 ILE 96 -4.814 19.639 15.097 725 HG22 ILE 96 HG22 ILE 96 -6.178 20.516 14.410 726 HG23 ILE 96 HG23 ILE 96 -6.160 18.750 14.383 727 HD11 ILE 96 HD11 ILE 96 -7.360 21.959 16.183 728 HD12 ILE 96 HD12 ILE 96 -9.062 21.763 16.595 729 HD13 ILE 96 HD13 ILE 96 -8.543 21.620 14.917 730 H CYS 97 H CYS 97 -5.270 19.275 18.954 731 HA CYS 97 HA CYS 97 -7.106 18.243 20.981 732 HB2 CYS 97 HB3 CYS 97 -4.647 18.369 21.280 733 HB3 CYS 97 HB2 CYS 97 -4.732 20.111 21.227 734 H ALA 98 H ALA 98 -8.731 19.415 21.878 735 HA ALA 98 HA ALA 98 -9.774 21.669 20.609 736 HB1 ALA 98 HB1 ALA 98 -11.024 20.076 22.083 737 HB2 ALA 98 HB2 ALA 98 -11.358 21.778 22.407 738 HB3 ALA 98 HB3 ALA 98 -10.288 20.871 23.476 739 H ASN 99 H ASN 99 -7.296 21.474 23.048 740 HA ASN 99 HA ASN 99 -7.540 24.348 23.633 741 HB2 ASN 99 HB3 ASN 99 -6.080 22.095 24.993 742 HB3 ASN 99 HB2 ASN 99 -5.842 23.791 25.423 743 HD21 ASN 99 HD21 ASN 99 -8.141 21.121 25.501 744 HD22 ASN 99 HD22 ASN 99 -9.285 21.896 26.488 745 H CYS 100 H CYS 100 -5.486 22.049 21.971 746 HA CYS 100 HA CYS 100 -3.850 24.312 21.061 747 HB2 CYS 100 HB3 CYS 100 -1.743 23.116 21.444 748 HB3 CYS 100 HB2 CYS 100 -2.602 23.414 22.951 749 H GLU 101 H GLU 101 -2.487 23.748 19.171 750 HA GLU 101 HA GLU 101 -4.085 22.279 17.290 751 HB2 GLU 101 HB3 GLU 101 -1.527 23.856 17.065 752 HB3 GLU 101 HB2 GLU 101 -2.159 22.929 15.704 753 HG2 GLU 101 HG3 GLU 101 -4.231 24.165 15.729 754 HG3 GLU 101 HG2 GLU 101 -3.794 24.970 17.232 755 H SER 102 H SER 102 -3.843 20.248 18.568 756 HA SER 102 HA SER 102 -1.348 18.801 18.179 757 HB2 SER 102 HB3 SER 102 -3.969 17.885 19.366 758 HB3 SER 102 HB2 SER 102 -2.467 16.972 19.371 759 HG SER 102 HG SER 102 -2.227 18.005 21.208 760 H HIS 103 H HIS 103 -2.135 19.554 15.784 761 HA HIS 103 HA HIS 103 -3.782 17.591 14.452 762 HB2 HIS 103 HB3 HIS 103 -2.689 18.683 12.331 763 HB3 HIS 103 HB2 HIS 103 -3.886 19.578 13.249 764 HD1 HIS 103 HD1 HIS 103 -2.980 21.900 12.660 765 HD2 HIS 103 HD2 HIS 103 -0.106 19.444 14.417 766 HE1 HIS 103 HE1 HIS 103 -1.001 23.386 13.201 767 HE2 HIS 103 HE2 HIS 103 0.757 21.902 14.272 768 H LEU 104 H LEU 104 -1.335 16.709 15.959 769 HA LEU 104 HA LEU 104 0.580 15.771 14.062 770 HB2 LEU 104 HB3 LEU 104 1.487 14.525 15.975 771 HB3 LEU 104 HB2 LEU 104 1.145 16.200 16.385 772 HG LEU 104 HG LEU 104 -1.217 15.172 17.151 773 HD11 LEU 104 HD11 LEU 104 0.734 12.859 17.250 774 HD12 LEU 104 HD12 LEU 104 -0.898 12.876 16.590 775 HD13 LEU 104 HD13 LEU 104 -0.657 12.947 18.331 776 HD21 LEU 104 HD21 LEU 104 0.502 16.394 18.550 777 HD22 LEU 104 HD22 LEU 104 1.260 14.835 18.873 778 HD23 LEU 104 HD23 LEU 104 -0.387 15.145 19.420 779 H GLY 105 H GLY 105 -2.502 14.620 15.192 780 HA2 GLY 105 HA3 GLY 105 -2.013 12.019 13.844 781 HA3 GLY 105 HA2 GLY 105 -3.046 12.204 15.251 782 H HIS 106 H HIS 106 -3.984 10.988 13.009 783 HA HIS 106 HA HIS 106 -6.056 12.871 12.073 784 HB2 HIS 106 HB3 HIS 106 -4.425 10.982 10.363 785 HB3 HIS 106 HB2 HIS 106 -5.948 11.692 9.832 786 HD1 HIS 106 HD1 HIS 106 -2.503 12.775 11.038 787 HD2 HIS 106 HD2 HIS 106 -5.707 14.267 8.819 788 HE1 HIS 106 HE1 HIS 106 -1.742 14.996 10.083 789 HE2 HIS 106 HE2 HIS 106 -3.684 15.919 8.733 790 H VAL 107 H VAL 107 -8.030 11.799 11.378 791 HA VAL 107 HA VAL 107 -8.341 9.040 12.371 792 HB VAL 107 HB VAL 107 -9.200 10.602 14.059 793 HG11 VAL 107 HG11 VAL 107 -9.769 12.386 12.267 794 HG12 VAL 107 HG12 VAL 107 -10.847 12.234 13.652 795 HG13 VAL 107 HG13 VAL 107 -11.299 11.525 12.101 796 HG21 VAL 107 HG21 VAL 107 -11.253 8.999 12.524 797 HG22 VAL 107 HG22 VAL 107 -11.615 9.767 14.071 798 HG23 VAL 107 HG23 VAL 107 -10.369 8.522 13.973 799 H PHE 108 H PHE 108 -9.699 7.731 11.205 800 HA PHE 108 HA PHE 108 -10.783 8.865 8.687 801 HB2 PHE 108 HB3 PHE 108 -9.617 6.120 9.209 802 HB3 PHE 108 HB2 PHE 108 -10.410 6.603 7.710 803 HD1 PHE 108 HD1 PHE 108 -7.426 6.996 9.820 804 HD2 PHE 108 HD2 PHE 108 -9.382 8.251 6.207 805 HE1 PHE 108 HE1 PHE 108 -5.300 7.984 9.011 806 HE2 PHE 108 HE2 PHE 108 -7.257 9.240 5.399 807 HZ PHE 108 HZ PHE 108 -5.215 9.106 6.801 808 H ALA 109 H ALA 109 -12.774 8.181 7.975 809 HA ALA 109 HA ALA 109 -14.407 6.644 9.909 810 HB1 ALA 109 HB1 ALA 109 -14.892 9.175 9.485 811 HB2 ALA 109 HB2 ALA 109 -16.237 8.034 9.495 812 HB3 ALA 109 HB3 ALA 109 -15.580 8.608 7.962 813 H GLY 110 H GLY 110 -16.186 5.405 8.945 814 HA2 GLY 110 HA3 GLY 110 -17.170 4.081 7.293 815 HA3 GLY 110 HA2 GLY 110 -16.118 4.834 6.102 816 H GLU 111 H GLU 111 -14.622 3.554 8.944 817 HA GLU 111 HA GLU 111 -13.015 1.725 7.450 818 HB2 GLU 111 HB3 GLU 111 -12.259 2.952 9.495 819 HB3 GLU 111 HB2 GLU 111 -13.328 1.929 10.453 820 HG2 GLU 111 HG3 GLU 111 -11.073 1.001 10.512 821 HG3 GLU 111 HG2 GLU 111 -12.121 -0.080 9.602 822 H GLY 112 H GLY 112 -15.976 1.416 9.311 823 HA2 GLY 112 HA3 GLY 112 -17.468 -0.346 9.468 824 HA3 GLY 112 HA2 GLY 112 -16.483 -1.216 8.294 825 H TYR 113 H TYR 113 -15.444 0.095 11.405 826 HA TYR 113 HA TYR 113 -14.352 -2.484 12.172 827 HB2 TYR 113 HB3 TYR 113 -13.178 -0.240 12.492 828 HB3 TYR 113 HB2 TYR 113 -14.319 0.059 13.802 829 HD1 TYR 113 HD1 TYR 113 -11.876 -2.491 12.560 830 HD2 TYR 113 HD2 TYR 113 -13.855 -0.775 15.966 831 HE1 TYR 113 HE1 TYR 113 -10.468 -3.863 14.069 832 HE2 TYR 113 HE2 TYR 113 -12.448 -2.149 17.474 833 HH TYR 113 HH TYR 113 -9.678 -3.809 16.394 834 H ASP 114 H ASP 114 -17.370 -1.646 12.192 835 HA ASP 114 HA ASP 114 -19.217 -2.183 13.380 836 HB2 ASP 114 HB3 ASP 114 -17.930 -4.390 13.406 837 HB3 ASP 114 HB2 ASP 114 -17.449 -3.973 15.046 838 H THR 115 H THR 115 -18.290 0.181 14.114 839 HA THR 115 HA THR 115 -18.645 0.241 17.034 840 HB THR 115 HB THR 115 -17.256 2.518 16.676 841 HG1 THR 115 HG1 THR 115 -15.740 2.308 15.121 842 HG21 THR 115 HG21 THR 115 -16.266 -0.279 17.179 843 HG22 THR 115 HG22 THR 115 -16.480 1.052 18.320 844 HG23 THR 115 HG23 THR 115 -15.145 1.083 17.168 845 HA PRO 116 HA PRO 116 -22.002 3.024 16.314 846 HB2 PRO 116 HB3 PRO 116 -21.695 4.871 18.339 847 HB3 PRO 116 HB2 PRO 116 -22.359 3.243 18.569 848 HG2 PRO 116 HG3 PRO 116 -19.599 4.247 19.088 849 HG3 PRO 116 HG2 PRO 116 -20.605 3.150 20.054 850 HD2 PRO 116 HD3 PRO 116 -18.613 2.240 18.471 851 HD3 PRO 116 HD2 PRO 116 -20.105 1.308 18.708 852 H THR 117 H THR 117 -18.774 4.337 16.524 853 HA THR 117 HA THR 117 -19.580 6.801 15.106 854 HB THR 117 HB THR 117 -17.382 7.675 15.734 855 HG1 THR 117 HG1 THR 117 -15.888 6.279 16.105 856 HG21 THR 117 HG21 THR 117 -18.060 8.211 17.828 857 HG22 THR 117 HG22 THR 117 -18.050 6.528 18.350 858 HG23 THR 117 HG23 THR 117 -19.462 7.185 17.520 859 H ASP 118 H ASP 118 -17.855 3.816 14.750 860 HA ASP 118 HA ASP 118 -16.705 2.852 13.014 861 HB2 ASP 118 HB3 ASP 118 -18.974 3.489 11.964 862 HB3 ASP 118 HB2 ASP 118 -18.099 4.812 11.196 863 H LEU 119 H LEU 119 -15.334 4.846 14.403 864 HA LEU 119 HA LEU 119 -13.741 6.175 12.288 865 HB2 LEU 119 HB3 LEU 119 -14.182 6.942 15.182 866 HB3 LEU 119 HB2 LEU 119 -13.001 7.714 14.128 867 HG LEU 119 HG LEU 119 -15.949 7.559 13.450 868 HD11 LEU 119 HD11 LEU 119 -15.498 8.802 15.591 869 HD12 LEU 119 HD12 LEU 119 -16.149 9.824 14.307 870 HD13 LEU 119 HD13 LEU 119 -14.425 9.871 14.686 871 HD21 LEU 119 HD21 LEU 119 -15.279 9.515 11.986 872 HD22 LEU 119 HD22 LEU 119 -14.529 7.988 11.523 873 HD23 LEU 119 HD23 LEU 119 -13.600 9.191 12.420 874 H ARG 120 H ARG 120 -11.572 5.849 12.235 875 HA ARG 120 HA ARG 120 -10.403 4.095 14.313 876 HB2 ARG 120 HB3 ARG 120 -10.748 2.968 12.077 877 HB3 ARG 120 HB2 ARG 120 -9.605 4.125 11.393 878 HG2 ARG 120 HG3 ARG 120 -7.928 3.385 13.112 879 HG3 ARG 120 HG2 ARG 120 -9.061 2.130 13.609 880 HD2 ARG 120 HD3 ARG 120 -7.532 1.127 12.046 881 HD3 ARG 120 HD2 ARG 120 -9.076 1.317 11.220 882 HE ARG 120 HE ARG 120 -7.454 3.607 10.774 883 HH11 ARG 120 HH11 ARG 120 -7.714 0.238 9.841 884 HH12 ARG 120 HH12 ARG 120 -6.942 0.484 8.310 885 HH21 ARG 120 HH21 ARG 120 -6.455 3.880 8.776 886 HH22 ARG 120 HH22 ARG 120 -6.235 2.530 7.714 887 H TYR 121 H TYR 121 -9.829 6.082 15.387 888 HA TYR 121 HA TYR 121 -8.276 8.145 14.314 889 HB2 TYR 121 HB3 TYR 121 -8.296 7.024 17.131 890 HB3 TYR 121 HB2 TYR 121 -7.599 8.570 16.662 891 HD1 TYR 121 HD1 TYR 121 -10.743 6.655 16.994 892 HD2 TYR 121 HD2 TYR 121 -8.995 10.497 16.231 893 HE1 TYR 121 HE1 TYR 121 -12.952 7.710 17.311 894 HE2 TYR 121 HE2 TYR 121 -11.216 11.562 16.531 895 HH TYR 121 HH TYR 121 -13.608 10.904 16.378 896 H CYS 122 H CYS 122 -6.228 8.196 13.657 897 HA CYS 122 HA CYS 122 -4.390 6.026 14.472 898 HB2 CYS 122 HB3 CYS 122 -4.350 7.737 11.965 899 HB3 CYS 122 HB2 CYS 122 -3.169 6.491 12.373 900 HG CYS 122 HG CYS 122 -6.119 5.566 12.222 901 H ILE 123 H ILE 123 -3.740 7.078 16.360 902 HA ILE 123 HA ILE 123 -2.185 9.571 15.952 903 HB ILE 123 HB ILE 123 -3.323 8.797 18.633 904 HG12 ILE 123 HG13 ILE 123 -5.303 8.847 17.178 905 HG13 ILE 123 HG12 ILE 123 -5.294 10.244 18.240 906 HG21 ILE 123 HG21 ILE 123 -3.192 11.247 18.992 907 HG22 ILE 123 HG22 ILE 123 -2.570 11.436 17.349 908 HG23 ILE 123 HG23 ILE 123 -1.631 10.549 18.552 909 HD11 ILE 123 HD11 ILE 123 -5.924 10.627 15.762 910 HD12 ILE 123 HD12 ILE 123 -4.209 10.407 15.423 911 HD13 ILE 123 HD13 ILE 123 -4.733 11.725 16.469 912 H ASN 124 H ASN 124 -0.175 9.688 16.869 913 HA ASN 124 HA ASN 124 0.921 7.157 17.917 914 HB2 ASN 124 HB3 ASN 124 1.887 8.728 15.899 915 HB3 ASN 124 HB2 ASN 124 2.781 9.369 17.273 916 HD21 ASN 124 HD21 ASN 124 3.833 7.711 15.014 917 HD22 ASN 124 HD22 ASN 124 4.510 6.332 15.737 918 H SER 125 H SER 125 2.637 7.443 19.635 919 HA SER 125 HA SER 125 1.671 9.422 21.597 920 HB2 SER 125 HB3 SER 125 1.510 7.082 22.301 921 HB3 SER 125 HB2 SER 125 3.231 6.858 22.002 922 HG SER 125 HG SER 125 2.455 7.407 24.238 923 H VAL 126 H VAL 126 2.914 11.147 20.635 924 HA VAL 126 HA VAL 126 5.806 10.975 20.645 925 HB VAL 126 HB VAL 126 4.504 12.381 18.995 926 HG11 VAL 126 HG11 VAL 126 3.444 14.363 19.573 927 HG12 VAL 126 HG12 VAL 126 4.359 14.553 21.070 928 HG13 VAL 126 HG13 VAL 126 3.050 13.370 20.976 929 HG21 VAL 126 HG21 VAL 126 6.682 13.594 20.706 930 HG22 VAL 126 HG22 VAL 126 6.127 14.332 19.203 931 HG23 VAL 126 HG23 VAL 126 6.858 12.727 19.180 932 H CYS 127 H CYS 127 5.091 10.200 23.083 933 HA CYS 127 HA CYS 127 5.606 10.518 25.290 934 HB2 CYS 127 HB3 CYS 127 7.541 11.902 24.360 935 HB3 CYS 127 HB2 CYS 127 6.538 13.322 24.651 936 HG CYS 127 HG CYS 127 6.956 13.124 27.091 937 H LEU 128 H LEU 128 3.130 10.541 24.941 938 HA LEU 128 HA LEU 128 1.819 13.029 25.745 939 HB2 LEU 128 HB3 LEU 128 0.673 11.735 24.070 940 HB3 LEU 128 HB2 LEU 128 0.813 10.260 25.012 941 HG LEU 128 HG LEU 128 -0.657 12.557 26.300 942 HD11 LEU 128 HD11 LEU 128 -1.894 10.837 24.133 943 HD12 LEU 128 HD12 LEU 128 -1.537 12.558 23.991 944 HD13 LEU 128 HD13 LEU 128 -2.744 12.000 25.150 945 HD21 LEU 128 HD21 LEU 128 -1.048 9.546 26.150 946 HD22 LEU 128 HD22 LEU 128 -2.107 10.636 27.044 947 HD23 LEU 128 HD23 LEU 128 -0.421 10.454 27.522 948 H THR 129 H THR 129 0.588 13.178 27.706 949 HA THR 129 HA THR 129 1.896 11.796 29.913 950 HB THR 129 HB THR 129 -0.170 14.014 29.921 951 HG1 THR 129 HG1 THR 129 1.531 15.342 30.026 952 HG21 THR 129 HG21 THR 129 1.683 13.110 32.142 953 HG22 THR 129 HG22 THR 129 -0.014 12.638 32.038 954 HG23 THR 129 HG23 THR 129 0.419 14.336 32.243 955 H LEU 130 H LEU 130 1.085 10.215 31.082 956 HA LEU 130 HA LEU 130 -1.632 9.251 30.491 957 HB2 LEU 130 HB3 LEU 130 0.035 7.583 30.079 958 HB3 LEU 130 HB2 LEU 130 0.856 7.931 31.583 959 HG LEU 130 HG LEU 130 -0.482 5.754 31.467 960 HD11 LEU 130 HD11 LEU 130 -1.514 7.342 33.783 961 HD12 LEU 130 HD12 LEU 130 0.232 7.185 33.584 962 HD13 LEU 130 HD13 LEU 130 -0.768 5.748 33.744 963 HD21 LEU 130 HD21 LEU 130 -2.558 7.214 30.502 964 HD22 LEU 130 HD22 LEU 130 -2.981 7.206 32.214 965 HD23 LEU 130 HD23 LEU 130 -2.766 5.684 31.351 966 H ILE 131 H ILE 131 -3.175 9.336 31.942 967 HA ILE 131 HA ILE 131 -2.540 10.231 34.689 968 HB ILE 131 HB ILE 131 -5.196 10.236 33.221 969 HG12 ILE 131 HG13 ILE 131 -3.662 11.842 32.161 970 HG13 ILE 131 HG12 ILE 131 -4.921 12.694 33.043 971 HG21 ILE 131 HG21 ILE 131 -5.657 10.167 35.541 972 HG22 ILE 131 HG22 ILE 131 -5.773 11.875 35.117 973 HG23 ILE 131 HG23 ILE 131 -4.329 11.263 35.923 974 HD11 ILE 131 HD11 ILE 131 -2.691 13.719 33.408 975 HD12 ILE 131 HD12 ILE 131 -2.105 12.189 34.063 976 HD13 ILE 131 HD13 ILE 131 -3.364 13.087 34.912 977 HA PRO 132 HA PRO 132 -3.586 5.878 35.483 978 HB2 PRO 132 HB3 PRO 132 -2.880 5.828 38.122 979 HB3 PRO 132 HB2 PRO 132 -1.702 5.709 36.803 980 HG2 PRO 132 HG3 PRO 132 -2.395 8.041 38.501 981 HG3 PRO 132 HG2 PRO 132 -0.835 7.552 37.833 982 HD2 PRO 132 HD3 PRO 132 -2.428 9.547 36.823 983 HD3 PRO 132 HD2 PRO 132 -1.190 8.674 35.890 984 H ALA 133 H ALA 133 -5.784 5.829 35.357 985 HA ALA 133 HA ALA 133 -7.558 7.362 36.867 986 HB1 ALA 133 HB1 ALA 133 -7.851 4.762 35.375 987 HB2 ALA 133 HB2 ALA 133 -8.423 6.366 34.913 988 HB3 ALA 133 HB3 ALA 133 -9.216 5.491 36.222 989 H GLU 134 H GLU 134 -6.434 4.008 37.402 990 HA GLU 134 HA GLU 134 -6.494 4.189 40.223 991 HB2 GLU 134 HB3 GLU 134 -8.973 4.231 39.811 992 HB3 GLU 134 HB2 GLU 134 -8.826 2.651 39.046 993 HG2 GLU 134 HG3 GLU 134 -7.944 1.699 41.136 994 HG3 GLU 134 HG2 GLU 134 -8.017 3.279 41.905 995 H GLU 135 H GLU 135 -7.424 1.759 37.790 996 HA GLU 135 HA GLU 135 -6.610 -0.317 37.295 997 HB2 GLU 135 HB3 GLU 135 -3.932 0.785 38.188 998 HB3 GLU 135 HB2 GLU 135 -4.218 -0.529 37.053 999 HG2 GLU 135 HG3 GLU 135 -3.853 1.180 35.543 1000 HG3 GLU 135 HG2 GLU 135 -5.588 1.386 35.758 1001 H SER 136 H SER 136 -7.848 -0.244 39.650 1002 HA SER 136 HA SER 136 -6.398 -2.264 41.208 1003 HB2 SER 136 HB3 SER 136 -7.828 -0.053 42.656 1004 HB3 SER 136 HB2 SER 136 -6.632 -1.188 43.275 1005 HG SER 136 HG SER 136 -6.169 1.208 42.441 Start of MODEL 8 1 H MET 1 H1 MET 1 -2.594 27.499 32.397 2 HA MET 1 HA MET 1 -4.064 29.638 32.409 3 HB2 MET 1 HB3 MET 1 -1.906 29.146 31.146 4 HB3 MET 1 HB2 MET 1 -2.913 28.593 29.809 5 HG2 MET 1 HG3 MET 1 -2.343 30.918 29.420 6 HG3 MET 1 HG2 MET 1 -4.054 30.827 29.824 7 HE1 MET 1 HE1 MET 1 -0.569 31.897 30.685 8 HE2 MET 1 HE2 MET 1 -0.709 30.679 31.950 9 HE3 MET 1 HE3 MET 1 -0.592 32.383 32.386 10 H THR 2 H THR 2 -5.948 30.468 31.668 11 HA THR 2 HA THR 2 -7.987 28.740 30.696 12 HB THR 2 HB THR 2 -9.334 30.812 30.501 13 HG1 THR 2 HG1 THR 2 -6.901 32.061 31.244 14 HG21 THR 2 HG21 THR 2 -9.104 29.697 32.686 15 HG22 THR 2 HG22 THR 2 -9.211 31.447 32.882 16 HG23 THR 2 HG23 THR 2 -7.649 30.639 33.016 17 H ASN 3 H ASN 3 -5.836 31.051 29.130 18 HA ASN 3 HA ASN 3 -6.853 30.151 26.499 19 HB2 ASN 3 HB3 ASN 3 -7.503 32.511 27.068 20 HB3 ASN 3 HB2 ASN 3 -5.791 32.910 27.149 21 HD21 ASN 3 HD21 ASN 3 -6.976 34.390 25.309 22 HD22 ASN 3 HD22 ASN 3 -6.755 33.803 23.732 23 H PHE 4 H PHE 4 -5.328 28.853 25.689 24 HA PHE 4 HA PHE 4 -2.540 29.126 26.398 25 HB2 PHE 4 HB3 PHE 4 -3.994 27.266 24.516 26 HB3 PHE 4 HB2 PHE 4 -2.263 27.177 24.845 27 HD1 PHE 4 HD1 PHE 4 -5.641 26.769 26.277 28 HD2 PHE 4 HD2 PHE 4 -1.422 26.413 26.991 29 HE1 PHE 4 HE1 PHE 4 -6.100 25.466 28.337 30 HE2 PHE 4 HE2 PHE 4 -1.879 25.114 29.053 31 HZ PHE 4 HZ PHE 4 -4.219 24.639 29.726 32 H LYS 5 H LYS 5 -4.504 30.470 23.968 33 HA LYS 5 HA LYS 5 -2.731 30.544 21.767 34 HB2 LYS 5 HB3 LYS 5 -4.925 32.500 22.501 35 HB3 LYS 5 HB2 LYS 5 -4.199 32.316 20.909 36 HG2 LYS 5 HG3 LYS 5 -5.682 30.118 22.380 37 HG3 LYS 5 HG2 LYS 5 -6.409 31.150 21.155 38 HD2 LYS 5 HD3 LYS 5 -4.968 30.274 19.440 39 HD3 LYS 5 HD2 LYS 5 -3.969 29.431 20.623 40 HE2 LYS 5 HE3 LYS 5 -5.455 27.802 19.657 41 HE3 LYS 5 HE2 LYS 5 -6.003 28.127 21.305 42 HZ1 LYS 5 HZ1 LYS 5 -7.912 28.201 19.963 43 HZ2 LYS 5 HZ2 LYS 5 -7.151 29.136 18.766 44 HZ3 LYS 5 HZ3 LYS 5 -7.529 29.822 20.273 45 H LEU 6 H LEU 6 -3.190 32.684 24.521 46 HA LEU 6 HA LEU 6 -1.513 34.795 23.582 47 HB2 LEU 6 HB3 LEU 6 -2.943 34.079 26.090 48 HB3 LEU 6 HB2 LEU 6 -1.591 35.186 26.257 49 HG LEU 6 HG LEU 6 -2.604 36.728 24.635 50 HD11 LEU 6 HD11 LEU 6 -3.843 35.530 23.065 51 HD12 LEU 6 HD12 LEU 6 -5.149 36.121 24.091 52 HD13 LEU 6 HD13 LEU 6 -4.556 34.470 24.277 53 HD21 LEU 6 HD21 LEU 6 -4.572 35.798 26.746 54 HD22 LEU 6 HD22 LEU 6 -4.548 37.393 25.994 55 HD23 LEU 6 HD23 LEU 6 -3.212 36.886 27.028 56 H ILE 7 H ILE 7 -0.754 31.711 24.836 57 HA ILE 7 HA ILE 7 1.545 32.224 26.357 58 HB ILE 7 HB ILE 7 0.884 29.849 24.593 59 HG12 ILE 7 HG13 ILE 7 0.625 30.195 27.596 60 HG13 ILE 7 HG12 ILE 7 -0.709 30.443 26.473 61 HG21 ILE 7 HG21 ILE 7 2.531 28.633 26.025 62 HG22 ILE 7 HG22 ILE 7 2.948 30.153 26.813 63 HG23 ILE 7 HG23 ILE 7 3.301 29.920 25.103 64 HD11 ILE 7 HD11 ILE 7 -0.577 28.144 25.718 65 HD12 ILE 7 HD12 ILE 7 -0.655 28.140 27.479 66 HD13 ILE 7 HD13 ILE 7 0.887 27.879 26.664 67 H THR 8 H THR 8 3.666 32.462 25.872 68 HA THR 8 HA THR 8 4.321 33.530 23.265 69 HB THR 8 HB THR 8 6.497 34.038 24.305 70 HG1 THR 8 HG1 THR 8 7.070 32.878 25.924 71 HG21 THR 8 HG21 THR 8 5.710 35.688 25.872 72 HG22 THR 8 HG22 THR 8 4.237 34.766 26.178 73 HG23 THR 8 HG23 THR 8 4.485 35.536 24.610 74 H ASP 9 H ASP 9 6.359 32.840 22.188 75 HA ASP 9 HA ASP 9 6.256 30.108 21.547 76 HB2 ASP 9 HB3 ASP 9 8.348 32.219 21.015 77 HB3 ASP 9 HB2 ASP 9 8.476 30.579 20.392 78 H THR 10 H THR 10 8.415 31.922 23.701 79 HA THR 10 HA THR 10 10.221 29.821 24.264 80 HB THR 10 HB THR 10 9.406 32.154 26.028 81 HG1 THR 10 HG1 THR 10 11.204 33.131 25.079 82 HG21 THR 10 HG21 THR 10 11.986 30.561 26.061 83 HG22 THR 10 HG22 THR 10 10.644 30.232 27.160 84 HG23 THR 10 HG23 THR 10 11.471 31.792 27.215 85 H GLU 11 H GLU 11 7.239 30.880 25.890 86 HA GLU 11 HA GLU 11 7.300 29.061 28.022 87 HB2 GLU 11 HB3 GLU 11 5.008 30.414 26.610 88 HB3 GLU 11 HB2 GLU 11 4.801 29.433 28.058 89 HG2 GLU 11 HG3 GLU 11 6.256 30.883 29.326 90 HG3 GLU 11 HG2 GLU 11 6.704 31.779 27.884 91 H TRP 12 H TRP 12 6.044 28.741 24.728 92 HA TRP 12 HA TRP 12 4.783 26.227 25.080 93 HB2 TRP 12 HB3 TRP 12 5.784 27.804 22.739 94 HB3 TRP 12 HB2 TRP 12 5.381 26.109 22.492 95 HD1 TRP 12 HD1 TRP 12 3.826 29.410 22.419 96 HE1 TRP 12 HE1 TRP 12 1.254 29.206 22.515 97 HE3 TRP 12 HE3 TRP 12 3.401 24.565 23.926 98 HZ2 TRP 12 HZ2 TRP 12 -0.727 27.227 23.150 99 HZ3 TRP 12 HZ3 TRP 12 1.170 23.537 24.264 100 HH2 TRP 12 HH2 TRP 12 -0.890 24.858 23.880 101 H ARG 13 H ARG 13 8.090 27.135 24.215 102 HA ARG 13 HA ARG 13 9.030 24.544 23.565 103 HB2 ARG 13 HB3 ARG 13 10.463 27.021 24.524 104 HB3 ARG 13 HB2 ARG 13 11.296 25.553 24.013 105 HG2 ARG 13 HG3 ARG 13 10.231 25.705 21.801 106 HG3 ARG 13 HG2 ARG 13 9.366 27.152 22.311 107 HD2 ARG 13 HD3 ARG 13 11.334 27.807 21.035 108 HD3 ARG 13 HD2 ARG 13 11.543 28.281 22.718 109 HE ARG 13 HE ARG 13 12.642 25.689 22.266 110 HH11 ARG 13 HH11 ARG 13 13.288 29.084 21.678 111 HH12 ARG 13 HH12 ARG 13 15.005 28.864 21.625 112 HH21 ARG 13 HH21 ARG 13 14.877 25.451 22.190 113 HH22 ARG 13 HH22 ARG 13 15.896 26.824 21.913 114 H GLN 14 H GLN 14 9.013 26.387 26.590 115 HA GLN 14 HA GLN 14 10.330 24.240 28.035 116 HB2 GLN 14 HB3 GLN 14 9.881 25.758 30.055 117 HB3 GLN 14 HB2 GLN 14 10.989 26.349 28.824 118 HG2 GLN 14 HG3 GLN 14 9.655 28.084 28.268 119 HG3 GLN 14 HG2 GLN 14 8.193 27.128 28.336 120 HE21 GLN 14 HE21 GLN 14 8.440 29.807 29.402 121 HE22 GLN 14 HE22 GLN 14 8.200 29.708 31.076 122 H ARG 15 H ARG 15 7.088 25.185 27.339 123 HA ARG 15 HA ARG 15 5.746 24.037 29.555 124 HB2 ARG 15 HB3 ARG 15 5.013 24.900 26.794 125 HB3 ARG 15 HB2 ARG 15 3.893 23.814 27.623 126 HG2 ARG 15 HG3 ARG 15 3.548 25.350 29.399 127 HG3 ARG 15 HG2 ARG 15 4.944 26.323 28.951 128 HD2 ARG 15 HD3 ARG 15 3.825 26.984 26.872 129 HD3 ARG 15 HD2 ARG 15 2.436 25.980 27.284 130 HE ARG 15 HE ARG 15 3.122 28.566 28.439 131 HH11 ARG 15 HH11 ARG 15 1.220 25.642 28.769 132 HH12 ARG 15 HH12 ARG 15 0.060 26.379 29.824 133 HH21 ARG 15 HH21 ARG 15 1.594 29.481 29.814 134 HH22 ARG 15 HH22 ARG 15 0.273 28.533 30.410 135 H LEU 16 H LEU 16 6.640 22.698 26.375 136 HA LEU 16 HA LEU 16 6.339 20.007 27.531 137 HB2 LEU 16 HB3 LEU 16 5.453 19.270 25.210 138 HB3 LEU 16 HB2 LEU 16 4.340 19.999 26.348 139 HG LEU 16 HG LEU 16 4.121 20.770 23.947 140 HD11 LEU 16 HD11 LEU 16 3.308 22.791 24.596 141 HD12 LEU 16 HD12 LEU 16 4.754 23.229 25.505 142 HD13 LEU 16 HD13 LEU 16 3.577 22.115 26.198 143 HD21 LEU 16 HD21 LEU 16 6.765 22.141 24.536 144 HD22 LEU 16 HD22 LEU 16 5.722 22.528 23.170 145 HD23 LEU 16 HD23 LEU 16 6.455 20.930 23.293 146 H SER 17 H SER 17 7.163 18.335 25.798 147 HA SER 17 HA SER 17 9.934 18.635 25.606 148 HB2 SER 17 HB3 SER 17 7.995 16.810 24.204 149 HB3 SER 17 HB2 SER 17 9.731 16.686 23.947 150 HG SER 17 HG SER 17 8.782 15.356 25.677 151 H SER 18 H SER 18 11.287 18.693 23.713 152 HA SER 18 HA SER 18 10.802 20.893 22.028 153 HB2 SER 18 HB3 SER 18 13.067 20.041 22.486 154 HB3 SER 18 HB2 SER 18 12.691 18.558 21.613 155 HG SER 18 HG SER 18 12.280 19.910 19.770 156 H GLU 19 H GLU 19 10.385 17.400 21.552 157 HA GLU 19 HA GLU 19 9.603 17.532 18.838 158 HB2 GLU 19 HB3 GLU 19 8.467 15.293 19.385 159 HB3 GLU 19 HB2 GLU 19 10.211 15.378 19.558 160 HG2 GLU 19 HG3 GLU 19 8.961 16.112 22.072 161 HG3 GLU 19 HG2 GLU 19 8.277 14.596 21.501 162 H GLU 20 H GLU 20 7.679 17.490 21.859 163 HA GLU 20 HA GLU 20 5.141 17.591 20.700 164 HB2 GLU 20 HB3 GLU 20 6.301 18.329 23.342 165 HB3 GLU 20 HB2 GLU 20 4.739 19.037 22.954 166 HG2 GLU 20 HG3 GLU 20 4.034 17.072 23.934 167 HG3 GLU 20 HG2 GLU 20 4.165 16.517 22.268 168 H TYR 21 H TYR 21 7.472 20.165 21.360 169 HA TYR 21 HA TYR 21 5.801 22.381 20.952 170 HB2 TYR 21 HB3 TYR 21 8.031 22.546 21.951 171 HB3 TYR 21 HB2 TYR 21 8.775 22.054 20.435 172 HD1 TYR 21 HD1 TYR 21 6.926 24.773 22.154 173 HD2 TYR 21 HD2 TYR 21 9.021 23.593 18.596 174 HE1 TYR 21 HE1 TYR 21 6.968 27.130 21.390 175 HE2 TYR 21 HE2 TYR 21 9.071 25.950 17.846 176 HH TYR 21 HH TYR 21 7.206 28.410 19.384 177 H ARG 22 H ARG 22 7.968 20.746 18.561 178 HA ARG 22 HA ARG 22 7.016 22.377 16.391 179 HB2 ARG 22 HB3 ARG 22 8.431 21.065 14.962 180 HB3 ARG 22 HB2 ARG 22 9.305 21.341 16.464 181 HG2 ARG 22 HG3 ARG 22 8.532 19.062 17.242 182 HG3 ARG 22 HG2 ARG 22 7.864 18.802 15.623 183 HD2 ARG 22 HD3 ARG 22 10.106 19.166 14.651 184 HD3 ARG 22 HD2 ARG 22 10.771 19.398 16.265 185 HE ARG 22 HE ARG 22 9.417 16.909 16.146 186 HH11 ARG 22 HH11 ARG 22 12.341 18.453 14.980 187 HH12 ARG 22 HH12 ARG 22 13.225 16.966 14.887 188 HH21 ARG 22 HH21 ARG 22 10.605 15.003 16.009 189 HH22 ARG 22 HH22 ARG 22 12.249 15.030 15.465 190 H VAL 23 H VAL 23 6.333 19.153 17.569 191 HA VAL 23 HA VAL 23 4.736 18.221 15.466 192 HB VAL 23 HB VAL 23 4.851 17.546 18.413 193 HG11 VAL 23 HG11 VAL 23 2.666 16.825 17.749 194 HG12 VAL 23 HG12 VAL 23 3.694 15.393 17.679 195 HG13 VAL 23 HG13 VAL 23 3.258 16.240 16.194 196 HG21 VAL 23 HG21 VAL 23 6.819 17.112 16.845 197 HG22 VAL 23 HG22 VAL 23 5.782 15.969 16.004 198 HG23 VAL 23 HG23 VAL 23 6.197 15.698 17.697 199 H LEU 24 H LEU 24 3.882 19.933 18.454 200 HA LEU 24 HA LEU 24 1.084 20.002 17.929 201 HB2 LEU 24 HB3 LEU 24 2.842 21.592 19.810 202 HB3 LEU 24 HB2 LEU 24 1.088 21.765 19.746 203 HG LEU 24 HG LEU 24 2.476 19.105 20.209 204 HD11 LEU 24 HD11 LEU 24 1.929 19.420 22.591 205 HD12 LEU 24 HD12 LEU 24 1.289 21.025 22.238 206 HD13 LEU 24 HD13 LEU 24 3.009 20.697 22.028 207 HD21 LEU 24 HD21 LEU 24 -0.381 20.097 20.370 208 HD22 LEU 24 HD22 LEU 24 0.131 18.644 21.231 209 HD23 LEU 24 HD23 LEU 24 0.250 18.715 19.473 210 H ARG 25 H ARG 25 3.782 22.189 17.244 211 HA ARG 25 HA ARG 25 2.265 24.445 16.549 212 HB2 ARG 25 HB3 ARG 25 4.728 24.436 16.984 213 HB3 ARG 25 HB2 ARG 25 4.958 23.675 15.411 214 HG2 ARG 25 HG3 ARG 25 3.350 25.848 14.758 215 HG3 ARG 25 HG2 ARG 25 4.314 26.497 16.081 216 HD2 ARG 25 HD3 ARG 25 5.517 25.083 13.693 217 HD3 ARG 25 HD2 ARG 25 5.288 26.825 13.767 218 HE ARG 25 HE ARG 25 7.262 25.260 15.232 219 HH11 ARG 25 HH11 ARG 25 5.564 28.318 15.003 220 HH12 ARG 25 HH12 ARG 25 6.808 29.201 15.823 221 HH21 ARG 25 HH21 ARG 25 8.895 26.467 16.200 222 HH22 ARG 25 HH22 ARG 25 8.676 28.157 16.501 223 H GLU 26 H GLU 26 3.686 21.963 14.379 224 HA GLU 26 HA GLU 26 1.663 22.720 12.359 225 HB2 GLU 26 HB3 GLU 26 3.417 22.579 10.604 226 HB3 GLU 26 HB2 GLU 26 3.695 23.885 11.754 227 HG2 GLU 26 HG3 GLU 26 5.256 22.384 13.015 228 HG3 GLU 26 HG2 GLU 26 5.044 21.166 11.757 229 H ALA 27 H ALA 27 2.164 20.247 14.184 230 HA ALA 27 HA ALA 27 1.913 17.950 13.988 231 HB1 ALA 27 HB1 ALA 27 0.587 19.048 11.560 232 HB2 ALA 27 HB2 ALA 27 -0.058 18.001 12.820 233 HB3 ALA 27 HB3 ALA 27 0.954 17.323 11.550 234 H GLY 28 H GLY 28 4.424 18.803 13.730 235 HA2 GLY 28 HA3 GLY 28 5.863 18.253 11.411 236 HA3 GLY 28 HA2 GLY 28 6.518 18.202 13.035 237 H THR 29 H THR 29 5.054 16.079 14.128 238 HA THR 29 HA THR 29 4.988 13.752 12.520 239 HB THR 29 HB THR 29 7.424 14.070 12.391 240 HG1 THR 29 HG1 THR 29 6.499 11.955 12.564 241 HG21 THR 29 HG21 THR 29 8.783 13.820 14.477 242 HG22 THR 29 HG22 THR 29 7.295 13.930 15.416 243 HG23 THR 29 HG23 THR 29 7.827 15.302 14.446 244 H GLU 30 H GLU 30 5.326 11.703 14.103 245 HA GLU 30 HA GLU 30 4.401 12.254 16.808 246 HB2 GLU 30 HB3 GLU 30 2.418 10.746 16.558 247 HB3 GLU 30 HB2 GLU 30 2.280 12.233 15.630 248 HG2 GLU 30 HG3 GLU 30 3.077 10.996 13.607 249 HG3 GLU 30 HG2 GLU 30 3.071 9.509 14.549 250 H ALA 31 H ALA 31 6.758 11.378 16.548 251 HA ALA 31 HA ALA 31 6.814 8.440 16.464 252 HB1 ALA 31 HB1 ALA 31 8.899 10.582 16.243 253 HB2 ALA 31 HB2 ALA 31 8.550 9.246 15.146 254 HB3 ALA 31 HB3 ALA 31 9.355 8.936 16.685 255 HA PRO 32 HA PRO 32 6.936 8.661 21.009 256 HB2 PRO 32 HB3 PRO 32 6.658 5.997 21.466 257 HB3 PRO 32 HB2 PRO 32 5.296 7.031 20.989 258 HG2 PRO 32 HG3 PRO 32 6.966 5.230 19.289 259 HG3 PRO 32 HG2 PRO 32 5.210 5.424 19.320 260 HD2 PRO 32 HD3 PRO 32 6.767 6.599 17.464 261 HD3 PRO 32 HD2 PRO 32 5.264 7.334 18.059 262 H HIS 33 H HIS 33 8.150 6.696 22.526 263 HA HIS 33 HA HIS 33 10.158 5.974 23.323 264 HB2 HIS 33 HB3 HIS 33 10.776 5.731 20.374 265 HB3 HIS 33 HB2 HIS 33 11.832 5.138 21.656 266 HD1 HIS 33 HD1 HIS 33 10.954 3.142 23.109 267 HD2 HIS 33 HD2 HIS 33 8.435 4.207 19.975 268 HE1 HIS 33 HE1 HIS 33 9.268 1.265 22.880 269 HE2 HIS 33 HE2 HIS 33 7.726 1.897 20.964 270 H THR 34 H THR 34 9.707 8.777 23.087 271 HA THR 34 HA THR 34 12.482 9.764 22.776 272 HB THR 34 HB THR 34 11.405 12.032 22.455 273 HG1 THR 34 HG1 THR 34 9.208 11.850 21.669 274 HG21 THR 34 HG21 THR 34 10.601 10.047 20.327 275 HG22 THR 34 HG22 THR 34 12.284 10.491 20.616 276 HG23 THR 34 HG23 THR 34 11.121 11.720 20.118 277 H GLY 35 H GLY 35 10.931 8.571 25.127 278 HA2 GLY 35 HA3 GLY 35 11.946 10.322 27.148 279 HA3 GLY 35 HA2 GLY 35 10.184 10.341 27.078 280 H GLU 36 H GLU 36 12.476 9.096 28.839 281 HA GLU 36 HA GLU 36 11.997 6.288 28.820 282 HB2 GLU 36 HB3 GLU 36 13.397 6.261 30.788 283 HB3 GLU 36 HB2 GLU 36 14.047 7.393 29.605 284 HG2 GLU 36 HG3 GLU 36 12.972 9.270 30.820 285 HG3 GLU 36 HG2 GLU 36 12.405 8.128 32.037 286 H TYR 37 H TYR 37 10.409 8.955 30.320 287 HA TYR 37 HA TYR 37 8.999 7.335 32.290 288 HB2 TYR 37 HB3 TYR 37 8.782 10.256 31.542 289 HB3 TYR 37 HB2 TYR 37 7.847 9.489 32.825 290 HD1 TYR 37 HD1 TYR 37 11.167 10.653 31.781 291 HD2 TYR 37 HD2 TYR 37 8.947 8.641 34.860 292 HE1 TYR 37 HE1 TYR 37 13.074 10.936 33.341 293 HE2 TYR 37 HE2 TYR 37 10.854 8.925 36.420 294 HH TYR 37 HH TYR 37 13.955 9.904 35.370 295 H THR 38 H THR 38 8.596 7.662 29.029 296 HA THR 38 HA THR 38 5.820 8.181 28.754 297 HB THR 38 HB THR 38 6.097 7.186 26.506 298 HG1 THR 38 HG1 THR 38 7.766 5.988 26.066 299 HG21 THR 38 HG21 THR 38 7.694 8.816 25.677 300 HG22 THR 38 HG22 THR 38 8.412 8.978 27.279 301 HG23 THR 38 HG23 THR 38 6.768 9.544 26.988 302 H ASN 39 H ASN 39 7.628 5.297 29.572 303 HA ASN 39 HA ASN 39 5.399 3.503 29.054 304 HB2 ASN 39 HB3 ASN 39 7.777 2.809 28.736 305 HB3 ASN 39 HB2 ASN 39 8.014 2.952 30.475 306 HD21 ASN 39 HD21 ASN 39 8.044 0.501 28.642 307 HD22 ASN 39 HD22 ASN 39 6.942 -0.573 29.359 308 H THR 40 H THR 40 3.711 3.704 30.384 309 HA THR 40 HA THR 40 4.216 3.722 33.302 310 HB THR 40 HB THR 40 1.911 5.033 31.826 311 HG1 THR 40 HG1 THR 40 3.395 6.503 31.592 312 HG21 THR 40 HG21 THR 40 1.046 4.494 33.940 313 HG22 THR 40 HG22 THR 40 1.710 6.105 34.208 314 HG23 THR 40 HG23 THR 40 2.607 4.686 34.740 315 H THR 41 H THR 41 3.298 2.136 34.435 316 HA THR 41 HA THR 41 2.132 -0.111 33.197 317 HB THR 41 HB THR 41 2.060 0.722 36.115 318 HG1 THR 41 HG1 THR 41 4.085 0.250 36.028 319 HG21 THR 41 HG21 THR 41 1.916 -1.788 36.455 320 HG22 THR 41 HG22 THR 41 1.585 -1.931 34.728 321 HG23 THR 41 HG23 THR 41 0.466 -1.053 35.772 322 H THR 42 H THR 42 0.689 2.606 34.987 323 HA THR 42 HA THR 42 -1.968 1.623 34.941 324 HB THR 42 HB THR 42 -2.184 4.413 35.052 325 HG1 THR 42 HG1 THR 42 0.161 3.624 36.418 326 HG21 THR 42 HG21 THR 42 -2.200 4.025 37.563 327 HG22 THR 42 HG22 THR 42 -1.788 2.344 37.220 328 HG23 THR 42 HG23 THR 42 -3.307 3.019 36.629 329 H GLU 43 H GLU 43 -3.743 2.300 33.708 330 HA GLU 43 HA GLU 43 -3.212 3.660 31.167 331 HB2 GLU 43 HB3 GLU 43 -4.294 0.843 31.425 332 HB3 GLU 43 HB2 GLU 43 -4.507 1.823 29.974 333 HG2 GLU 43 HG3 GLU 43 -2.111 2.007 29.668 334 HG3 GLU 43 HG2 GLU 43 -1.807 1.227 31.216 335 H GLY 44 H GLY 44 -4.401 5.070 32.854 336 HA2 GLY 44 HA3 GLY 44 -7.263 4.594 33.095 337 HA3 GLY 44 HA2 GLY 44 -6.358 5.939 33.762 338 H ILE 45 H ILE 45 -5.944 7.748 32.511 339 HA ILE 45 HA ILE 45 -7.474 7.945 29.987 340 HB ILE 45 HB ILE 45 -7.393 9.951 32.260 341 HG12 ILE 45 HG13 ILE 45 -9.834 8.524 31.173 342 HG13 ILE 45 HG12 ILE 45 -8.844 7.773 32.419 343 HG21 ILE 45 HG21 ILE 45 -7.498 10.892 29.875 344 HG22 ILE 45 HG22 ILE 45 -8.836 11.337 30.936 345 HG23 ILE 45 HG23 ILE 45 -9.055 10.073 29.728 346 HD11 ILE 45 HD11 ILE 45 -10.513 8.932 33.608 347 HD12 ILE 45 HD12 ILE 45 -10.380 10.359 32.578 348 HD13 ILE 45 HD13 ILE 45 -9.089 9.964 33.716 349 H TYR 46 H TYR 46 -6.561 9.021 28.374 350 HA TYR 46 HA TYR 46 -3.770 9.686 28.512 351 HB2 TYR 46 HB3 TYR 46 -5.908 9.644 26.407 352 HB3 TYR 46 HB2 TYR 46 -4.421 10.524 26.082 353 HD1 TYR 46 HD1 TYR 46 -5.384 7.212 27.631 354 HD2 TYR 46 HD2 TYR 46 -2.817 9.327 24.908 355 HE1 TYR 46 HE1 TYR 46 -4.251 5.083 27.048 356 HE2 TYR 46 HE2 TYR 46 -1.679 7.196 24.331 357 HH TYR 46 HH TYR 46 -1.323 4.922 25.515 358 H SER 47 H SER 47 -2.849 11.684 28.665 359 HA SER 47 HA SER 47 -4.629 14.013 28.555 360 HB2 SER 47 HB3 SER 47 -3.443 14.976 30.524 361 HB3 SER 47 HB2 SER 47 -4.412 13.554 30.896 362 HG SER 47 HG SER 47 -2.534 12.323 30.860 363 H CYS 48 H CYS 48 -3.935 15.561 27.298 364 HA CYS 48 HA CYS 48 -1.711 15.519 25.669 365 HB2 CYS 48 HB3 CYS 48 -3.843 17.262 26.088 366 HB3 CYS 48 HB2 CYS 48 -2.450 18.255 26.457 367 H ARG 49 H ARG 49 0.398 15.861 25.963 368 HA ARG 49 HA ARG 49 1.539 16.324 28.513 369 HB2 ARG 49 HB3 ARG 49 2.738 15.181 26.659 370 HB3 ARG 49 HB2 ARG 49 2.784 16.697 25.767 371 HG2 ARG 49 HG3 ARG 49 4.927 16.428 26.851 372 HG3 ARG 49 HG2 ARG 49 4.064 17.705 27.702 373 HD2 ARG 49 HD3 ARG 49 3.368 16.065 29.430 374 HD3 ARG 49 HD2 ARG 49 4.263 14.807 28.585 375 HE ARG 49 HE ARG 49 6.246 15.717 29.409 376 HH11 ARG 49 HH11 ARG 49 3.598 17.933 30.012 377 HH12 ARG 49 HH12 ARG 49 4.540 18.960 31.041 378 HH21 ARG 49 HH21 ARG 49 7.433 17.082 30.745 379 HH22 ARG 49 HH22 ARG 49 6.694 18.480 31.451 380 H ALA 50 H ALA 50 0.727 18.380 25.800 381 HA ALA 50 HA ALA 50 2.007 20.766 26.536 382 HB1 ALA 50 HB1 ALA 50 -0.600 20.541 25.047 383 HB2 ALA 50 HB2 ALA 50 0.959 20.129 24.322 384 HB3 ALA 50 HB3 ALA 50 0.654 21.776 24.867 385 H CYS 51 H CYS 51 -1.405 19.802 27.058 386 HA CYS 51 HA CYS 51 -1.617 21.990 29.045 387 HB2 CYS 51 HB3 CYS 51 -4.168 21.734 28.439 388 HB3 CYS 51 HB2 CYS 51 -3.099 22.702 27.433 389 H GLY 52 H GLY 52 -2.586 18.676 28.303 390 HA2 GLY 52 HA3 GLY 52 -2.603 16.980 29.996 391 HA3 GLY 52 HA2 GLY 52 -2.987 18.218 31.185 392 H THR 53 H THR 53 -4.651 18.236 28.127 393 HA THR 53 HA THR 53 -7.206 17.904 29.452 394 HB THR 53 HB THR 53 -7.609 17.724 26.660 395 HG1 THR 53 HG1 THR 53 -6.211 19.024 25.739 396 HG21 THR 53 HG21 THR 53 -8.596 19.241 28.640 397 HG22 THR 53 HG22 THR 53 -8.792 19.637 26.937 398 HG23 THR 53 HG23 THR 53 -7.522 20.418 27.878 399 H GLU 54 H GLU 54 -8.741 16.216 29.146 400 HA GLU 54 HA GLU 54 -7.566 13.616 28.813 401 HB2 GLU 54 HB3 GLU 54 -10.430 14.498 29.212 402 HB3 GLU 54 HB2 GLU 54 -9.905 12.818 29.187 403 HG2 GLU 54 HG3 GLU 54 -8.346 13.377 31.086 404 HG3 GLU 54 HG2 GLU 54 -9.114 14.957 31.137 405 H LEU 55 H LEU 55 -6.812 14.246 26.596 406 HA LEU 55 HA LEU 55 -8.486 14.626 24.391 407 HB2 LEU 55 HB3 LEU 55 -5.705 13.591 24.801 408 HB3 LEU 55 HB2 LEU 55 -6.434 13.389 23.214 409 HG LEU 55 HG LEU 55 -6.815 15.823 23.064 410 HD11 LEU 55 HD11 LEU 55 -7.163 16.268 25.455 411 HD12 LEU 55 HD12 LEU 55 -5.957 17.345 24.771 412 HD13 LEU 55 HD13 LEU 55 -5.452 15.977 25.747 413 HD21 LEU 55 HD21 LEU 55 -4.597 14.832 22.415 414 HD22 LEU 55 HD22 LEU 55 -3.997 15.326 24.002 415 HD23 LEU 55 HD23 LEU 55 -4.546 16.541 22.851 416 H PHE 56 H PHE 56 -7.384 11.638 25.910 417 HA PHE 56 HA PHE 56 -9.541 10.208 24.554 418 HB2 PHE 56 HB3 PHE 56 -6.652 9.299 24.484 419 HB3 PHE 56 HB2 PHE 56 -8.031 8.335 23.962 420 HD1 PHE 56 HD1 PHE 56 -5.808 11.114 23.137 421 HD2 PHE 56 HD2 PHE 56 -9.386 9.029 21.998 422 HE1 PHE 56 HE1 PHE 56 -5.734 12.205 20.911 423 HE2 PHE 56 HE2 PHE 56 -9.313 10.119 19.772 424 HZ PHE 56 HZ PHE 56 -7.487 11.707 19.228 425 H ARG 57 H ARG 57 -9.883 8.017 25.495 426 HA ARG 57 HA ARG 57 -8.958 7.809 28.276 427 HB2 ARG 57 HB3 ARG 57 -11.269 7.150 28.935 428 HB3 ARG 57 HB2 ARG 57 -11.160 8.821 28.388 429 HG2 ARG 57 HG3 ARG 57 -11.893 8.039 26.103 430 HG3 ARG 57 HG2 ARG 57 -12.191 6.452 26.803 431 HD2 ARG 57 HD3 ARG 57 -13.783 7.451 28.402 432 HD3 ARG 57 HD2 ARG 57 -13.459 9.045 27.733 433 HE ARG 57 HE ARG 57 -14.310 7.246 25.686 434 HH11 ARG 57 HH11 ARG 57 -15.529 9.137 28.376 435 HH12 ARG 57 HH12 ARG 57 -17.112 9.302 27.692 436 HH21 ARG 57 HH21 ARG 57 -16.378 7.498 24.829 437 HH22 ARG 57 HH22 ARG 57 -17.587 8.382 25.701 438 H SER 58 H SER 58 -8.509 5.817 28.952 439 HA SER 58 HA SER 58 -7.850 3.809 27.158 440 HB2 SER 58 HB3 SER 58 -6.910 4.015 29.420 441 HB3 SER 58 HB2 SER 58 -8.455 3.516 30.104 442 HG SER 58 HG SER 58 -6.467 2.009 29.124 443 H THR 59 H THR 59 -10.981 4.501 28.479 444 HA THR 59 HA THR 59 -12.002 1.827 28.317 445 HB THR 59 HB THR 59 -13.061 3.487 29.767 446 HG1 THR 59 HG1 THR 59 -15.231 3.103 28.980 447 HG21 THR 59 HG21 THR 59 -14.599 5.168 28.582 448 HG22 THR 59 HG22 THR 59 -13.622 4.868 27.145 449 HG23 THR 59 HG23 THR 59 -12.875 5.535 28.598 450 H GLU 60 H GLU 60 -11.638 4.402 25.977 451 HA GLU 60 HA GLU 60 -13.130 2.777 24.004 452 HB2 GLU 60 HB3 GLU 60 -13.007 5.666 24.513 453 HB3 GLU 60 HB2 GLU 60 -12.704 5.276 22.824 454 HG2 GLU 60 HG3 GLU 60 -15.075 5.554 22.997 455 HG3 GLU 60 HG2 GLU 60 -14.805 3.811 22.931 456 H LYS 61 H LYS 61 -10.161 2.658 24.911 457 HA LYS 61 HA LYS 61 -8.920 3.111 22.266 458 HB2 LYS 61 HB3 LYS 61 -7.719 2.737 25.007 459 HB3 LYS 61 HB2 LYS 61 -6.760 2.646 23.532 460 HG2 LYS 61 HG3 LYS 61 -7.849 4.956 22.962 461 HG3 LYS 61 HG2 LYS 61 -8.231 5.014 24.681 462 HD2 LYS 61 HD3 LYS 61 -5.868 4.739 25.254 463 HD3 LYS 61 HD2 LYS 61 -5.451 4.585 23.551 464 HE2 LYS 61 HE3 LYS 61 -6.685 7.030 24.849 465 HE3 LYS 61 HE2 LYS 61 -5.003 6.868 24.359 466 HZ1 LYS 61 HZ1 LYS 61 -6.132 8.012 22.641 467 HZ2 LYS 61 HZ2 LYS 61 -7.386 6.865 22.598 468 HZ3 LYS 61 HZ3 LYS 61 -5.828 6.445 22.070 469 H PHE 62 H PHE 62 -8.454 1.482 20.979 470 HA PHE 62 HA PHE 62 -9.228 -1.181 21.488 471 HB2 PHE 62 HB3 PHE 62 -9.036 -0.205 19.224 472 HB3 PHE 62 HB2 PHE 62 -7.288 -0.110 19.413 473 HD1 PHE 62 HD1 PHE 62 -10.166 -2.469 19.253 474 HD2 PHE 62 HD2 PHE 62 -5.900 -2.019 19.044 475 HE1 PHE 62 HE1 PHE 62 -9.959 -4.807 18.454 476 HE2 PHE 62 HE2 PHE 62 -5.692 -4.356 18.244 477 HZ PHE 62 HZ PHE 62 -7.722 -5.751 17.948 478 H ASN 63 H ASN 63 -6.007 0.341 21.410 479 HA ASN 63 HA ASN 63 -3.969 -0.296 22.255 480 HB2 ASN 63 HB3 ASN 63 -5.534 -0.208 24.333 481 HB3 ASN 63 HB2 ASN 63 -5.426 -1.966 24.285 482 HD21 ASN 63 HD21 ASN 63 -4.077 -2.259 26.136 483 HD22 ASN 63 HD22 ASN 63 -2.493 -1.656 26.227 484 H SER 64 H SER 64 -2.628 -2.274 22.957 485 HA SER 64 HA SER 64 -1.669 -4.261 22.366 486 HB2 SER 64 HB3 SER 64 -4.563 -5.131 22.198 487 HB3 SER 64 HB2 SER 64 -3.177 -6.216 22.247 488 HG SER 64 HG SER 64 -3.092 -5.925 24.321 489 H HIS 65 H HIS 65 -1.883 -2.402 20.280 490 HA HIS 65 HA HIS 65 -2.195 -4.202 17.950 491 HB2 HIS 65 HB3 HIS 65 -3.994 -2.400 18.167 492 HB3 HIS 65 HB2 HIS 65 -2.717 -1.234 17.836 493 HD1 HIS 65 HD1 HIS 65 -1.425 -1.552 15.497 494 HD2 HIS 65 HD2 HIS 65 -4.978 -3.697 15.900 495 HE1 HIS 65 HE1 HIS 65 -2.092 -2.280 13.164 496 HE2 HIS 65 HE2 HIS 65 -4.256 -3.589 13.394 497 H CYS 66 H CYS 66 -0.226 -1.924 19.648 498 HA CYS 66 HA CYS 66 1.915 -1.158 19.325 499 HB2 CYS 66 HB3 CYS 66 2.099 -3.712 18.639 500 HB3 CYS 66 HB2 CYS 66 2.350 -3.029 17.032 501 HG CYS 66 HG CYS 66 4.445 -1.775 17.913 502 H GLY 67 H GLY 67 3.429 -0.227 17.551 503 HA2 GLY 67 HA3 GLY 67 3.717 1.354 15.891 504 HA3 GLY 67 HA2 GLY 67 2.475 0.476 14.998 505 H TRP 68 H TRP 68 0.823 1.735 14.435 506 HA TRP 68 HA TRP 68 0.061 3.987 16.189 507 HB2 TRP 68 HB3 TRP 68 -0.513 3.489 13.251 508 HB3 TRP 68 HB2 TRP 68 -1.114 4.864 14.174 509 HD1 TRP 68 HD1 TRP 68 0.559 6.777 14.777 510 HE1 TRP 68 HE1 TRP 68 2.942 7.357 13.977 511 HE3 TRP 68 HE3 TRP 68 1.790 2.396 12.469 512 HZ2 TRP 68 HZ2 TRP 68 5.089 6.114 12.548 513 HZ3 TRP 68 HZ3 TRP 68 4.008 2.118 11.398 514 HH2 TRP 68 HH2 TRP 68 5.657 3.970 11.435 515 HA PRO 69 HA PRO 69 -3.280 0.820 16.802 516 HB2 PRO 69 HB3 PRO 69 -3.949 1.544 19.345 517 HB3 PRO 69 HB2 PRO 69 -2.586 0.471 18.979 518 HG2 PRO 69 HG3 PRO 69 -2.576 3.382 19.596 519 HG3 PRO 69 HG2 PRO 69 -1.490 2.106 20.167 520 HD2 PRO 69 HD3 PRO 69 -0.809 3.806 18.155 521 HD3 PRO 69 HD2 PRO 69 -0.223 2.130 18.230 522 H SER 70 H SER 70 -5.426 1.052 16.424 523 HA SER 70 HA SER 70 -6.493 3.674 15.889 524 HB2 SER 70 HB3 SER 70 -8.477 2.505 15.160 525 HB3 SER 70 HB2 SER 70 -7.073 1.635 14.551 526 HG SER 70 HG SER 70 -9.027 0.768 16.148 527 H PHE 71 H PHE 71 -8.528 4.453 16.849 528 HA PHE 71 HA PHE 71 -9.033 3.459 19.575 529 HB2 PHE 71 HB3 PHE 71 -8.740 6.406 18.946 530 HB3 PHE 71 HB2 PHE 71 -9.059 5.686 20.515 531 HD1 PHE 71 HD1 PHE 71 -6.527 6.997 18.456 532 HD2 PHE 71 HD2 PHE 71 -7.269 3.813 21.246 533 HE1 PHE 71 HE1 PHE 71 -4.093 6.791 18.869 534 HE2 PHE 71 HE2 PHE 71 -4.833 3.609 21.657 535 HZ PHE 71 HZ PHE 71 -3.247 5.099 20.471 536 H PHE 72 H PHE 72 -11.053 4.315 20.461 537 HA PHE 72 HA PHE 72 -13.100 4.523 18.367 538 HB2 PHE 72 HB3 PHE 72 -13.453 3.948 21.328 539 HB3 PHE 72 HB2 PHE 72 -14.699 3.848 20.092 540 HD1 PHE 72 HD1 PHE 72 -12.495 1.915 21.993 541 HD2 PHE 72 HD2 PHE 72 -13.929 2.315 17.965 542 HE1 PHE 72 HE1 PHE 72 -11.853 -0.432 21.532 543 HE2 PHE 72 HE2 PHE 72 -13.288 -0.035 17.505 544 HZ PHE 72 HZ PHE 72 -12.250 -1.409 19.289 545 H SER 73 H SER 73 -15.127 5.789 19.805 546 HA SER 73 HA SER 73 -14.723 8.468 19.379 547 HB2 SER 73 HB3 SER 73 -16.896 7.313 19.896 548 HB3 SER 73 HB2 SER 73 -16.445 7.359 21.588 549 HG SER 73 HG SER 73 -16.689 9.591 19.849 550 HA PRO 74 HA PRO 74 -11.991 9.659 22.775 551 HB2 PRO 74 HB3 PRO 74 -12.160 12.360 22.596 552 HB3 PRO 74 HB2 PRO 74 -11.290 11.386 21.393 553 HG2 PRO 74 HG3 PRO 74 -14.045 12.528 21.260 554 HG3 PRO 74 HG2 PRO 74 -12.771 12.519 20.027 555 HD2 PRO 74 HD3 PRO 74 -14.830 10.743 20.010 556 HD3 PRO 74 HD2 PRO 74 -13.212 10.335 19.400 557 H LEU 75 H LEU 75 -12.186 11.669 24.524 558 HA LEU 75 HA LEU 75 -13.844 10.964 26.571 559 HB2 LEU 75 HB3 LEU 75 -12.365 13.373 25.757 560 HB3 LEU 75 HB2 LEU 75 -13.752 13.756 26.762 561 HG LEU 75 HG LEU 75 -11.606 13.446 27.958 562 HD11 LEU 75 HD11 LEU 75 -12.543 12.639 29.867 563 HD12 LEU 75 HD12 LEU 75 -13.445 11.369 29.022 564 HD13 LEU 75 HD13 LEU 75 -13.975 13.050 28.919 565 HD21 LEU 75 HD21 LEU 75 -10.818 11.131 28.454 566 HD22 LEU 75 HD22 LEU 75 -10.589 11.597 26.770 567 HD23 LEU 75 HD23 LEU 75 -11.923 10.535 27.216 568 H ALA 76 H ALA 76 -14.586 13.743 24.444 569 HA ALA 76 HA ALA 76 -17.300 12.969 23.996 570 HB1 ALA 76 HB1 ALA 76 -16.814 15.175 26.006 571 HB2 ALA 76 HB2 ALA 76 -17.573 13.615 26.323 572 HB3 ALA 76 HB3 ALA 76 -18.376 14.790 25.282 573 H GLY 77 H GLY 77 -14.711 14.372 22.848 574 HA2 GLY 77 HA3 GLY 77 -14.410 15.652 20.936 575 HA3 GLY 77 HA2 GLY 77 -16.135 15.989 20.923 576 H ASP 78 H ASP 78 -14.994 16.683 23.991 577 HA ASP 78 HA ASP 78 -15.024 19.551 23.450 578 HB2 ASP 78 HB3 ASP 78 -14.974 18.009 26.046 579 HB3 ASP 78 HB2 ASP 78 -15.116 19.753 25.890 580 H LYS 79 H LYS 79 -12.846 17.006 24.418 581 HA LYS 79 HA LYS 79 -10.744 18.906 25.129 582 HB2 LYS 79 HB3 LYS 79 -10.210 15.960 24.987 583 HB3 LYS 79 HB2 LYS 79 -9.561 17.164 26.093 584 HG2 LYS 79 HG3 LYS 79 -12.430 16.157 26.160 585 HG3 LYS 79 HG2 LYS 79 -11.144 15.560 27.198 586 HD2 LYS 79 HD3 LYS 79 -10.877 17.733 28.231 587 HD3 LYS 79 HD2 LYS 79 -12.016 18.457 27.091 588 HE2 LYS 79 HE3 LYS 79 -13.821 17.049 27.946 589 HE3 LYS 79 HE2 LYS 79 -12.704 16.238 29.040 590 HZ1 LYS 79 HZ1 LYS 79 -12.594 18.041 30.406 591 HZ2 LYS 79 HZ2 LYS 79 -14.166 18.272 29.805 592 HZ3 LYS 79 HZ3 LYS 79 -12.869 19.159 29.161 593 H VAL 80 H VAL 80 -11.859 17.156 22.420 594 HA VAL 80 HA VAL 80 -9.452 17.900 20.888 595 HB VAL 80 HB VAL 80 -9.577 15.768 19.625 596 HG11 VAL 80 HG11 VAL 80 -9.151 15.667 22.610 597 HG12 VAL 80 HG12 VAL 80 -7.943 15.808 21.332 598 HG13 VAL 80 HG13 VAL 80 -8.801 14.285 21.568 599 HG21 VAL 80 HG21 VAL 80 -10.971 13.956 20.315 600 HG22 VAL 80 HG22 VAL 80 -12.031 15.365 20.256 601 HG23 VAL 80 HG23 VAL 80 -11.431 14.776 21.807 602 H ILE 81 H ILE 81 -9.822 18.355 18.682 603 HA ILE 81 HA ILE 81 -12.667 18.562 17.901 604 HB ILE 81 HB ILE 81 -10.489 20.611 17.920 605 HG12 ILE 81 HG13 ILE 81 -12.402 22.138 18.276 606 HG13 ILE 81 HG12 ILE 81 -13.522 20.809 18.010 607 HG21 ILE 81 HG21 ILE 81 -11.480 21.907 16.059 608 HG22 ILE 81 HG22 ILE 81 -12.555 20.556 15.695 609 HG23 ILE 81 HG23 ILE 81 -10.811 20.374 15.492 610 HD11 ILE 81 HD11 ILE 81 -13.136 19.893 20.080 611 HD12 ILE 81 HD12 ILE 81 -12.714 21.561 20.474 612 HD13 ILE 81 HD13 ILE 81 -11.444 20.394 20.111 613 H GLU 82 H GLU 82 -13.229 17.843 15.972 614 HA GLU 82 HA GLU 82 -11.126 16.669 14.254 615 HB2 GLU 82 HB3 GLU 82 -14.034 15.866 14.151 616 HB3 GLU 82 HB2 GLU 82 -12.624 14.959 13.619 617 HG2 GLU 82 HG3 GLU 82 -11.938 14.941 16.125 618 HG3 GLU 82 HG2 GLU 82 -13.600 15.421 16.439 619 H ARG 83 H ARG 83 -10.775 17.784 12.450 620 HA ARG 83 HA ARG 83 -13.055 19.065 11.068 621 HB2 ARG 83 HB3 ARG 83 -10.307 20.265 11.517 622 HB3 ARG 83 HB2 ARG 83 -11.547 20.952 10.468 623 HG2 ARG 83 HG3 ARG 83 -13.069 21.176 12.385 624 HG3 ARG 83 HG2 ARG 83 -11.861 20.449 13.444 625 HD2 ARG 83 HD3 ARG 83 -11.746 22.866 13.674 626 HD3 ARG 83 HD2 ARG 83 -10.292 22.301 12.857 627 HE ARG 83 HE ARG 83 -10.991 23.403 10.925 628 HH11 ARG 83 HH11 ARG 83 -13.625 23.315 13.237 629 HH12 ARG 83 HH12 ARG 83 -14.611 24.411 12.328 630 HH21 ARG 83 HH21 ARG 83 -12.305 24.822 9.778 631 HH22 ARG 83 HH22 ARG 83 -13.869 25.256 10.386 632 H THR 84 H THR 84 -12.879 19.104 8.769 633 HA THR 84 HA THR 84 -10.925 17.173 7.733 634 HB THR 84 HB THR 84 -13.388 16.742 7.444 635 HG1 THR 84 HG1 THR 84 -13.098 16.250 5.185 636 HG21 THR 84 HG21 THR 84 -14.122 19.043 6.992 637 HG22 THR 84 HG22 THR 84 -14.540 17.988 5.641 638 HG23 THR 84 HG23 THR 84 -13.150 19.069 5.520 639 H ASP 85 H ASP 85 -9.600 17.592 6.051 640 HA ASP 85 HA ASP 85 -9.499 20.375 5.047 641 HB2 ASP 85 HB3 ASP 85 -7.258 18.582 5.974 642 HB3 ASP 85 HB2 ASP 85 -6.972 19.958 4.913 643 H THR 86 H THR 86 -9.734 20.487 2.928 644 HA THR 86 HA THR 86 -9.708 18.148 1.271 645 HB THR 86 HB THR 86 -9.971 20.990 0.295 646 HG1 THR 86 HG1 THR 86 -11.365 20.802 2.031 647 HG21 THR 86 HG21 THR 86 -11.451 18.511 -0.586 648 HG22 THR 86 HG22 THR 86 -9.877 18.943 -1.255 649 HG23 THR 86 HG23 THR 86 -11.250 20.031 -1.458 650 H SER 87 H SER 87 -7.398 17.796 1.856 651 HA SER 87 HA SER 87 -5.382 19.395 0.544 652 HB2 SER 87 HB3 SER 87 -3.828 17.696 1.276 653 HB3 SER 87 HB2 SER 87 -4.957 17.995 2.595 654 HG SER 87 HG SER 87 -4.467 15.711 1.850 655 H HIS 88 H HIS 88 -4.080 18.655 -1.258 656 HA HIS 88 HA HIS 88 -4.016 18.095 -3.493 657 HB2 HIS 88 HB3 HIS 88 -4.427 15.517 -1.989 658 HB3 HIS 88 HB2 HIS 88 -4.245 15.505 -3.741 659 HD1 HIS 88 HD1 HIS 88 -2.389 16.618 -0.613 660 HD2 HIS 88 HD2 HIS 88 -1.618 15.811 -4.631 661 HE1 HIS 88 HE1 HIS 88 0.127 16.712 -0.894 662 HE2 HIS 88 HE2 HIS 88 0.613 16.223 -3.338 663 H GLY 89 H GLY 89 -6.402 15.514 -3.058 664 HA2 GLY 89 HA3 GLY 89 -8.358 17.114 -4.606 665 HA3 GLY 89 HA2 GLY 89 -8.004 15.436 -5.002 666 H MET 90 H MET 90 -7.839 14.440 -2.339 667 HA MET 90 HA MET 90 -10.694 14.391 -1.665 668 HB2 MET 90 HB3 MET 90 -10.142 12.368 -0.363 669 HB3 MET 90 HB2 MET 90 -9.621 12.219 -2.038 670 HG2 MET 90 HG3 MET 90 -7.316 12.851 -1.367 671 HG3 MET 90 HG2 MET 90 -7.846 12.961 0.311 672 HE1 MET 90 HE1 MET 90 -7.265 11.099 -2.750 673 HE2 MET 90 HE2 MET 90 -8.696 10.086 -2.567 674 HE3 MET 90 HE3 MET 90 -7.095 9.386 -2.342 675 H VAL 91 H VAL 91 -11.080 14.025 0.811 676 HA VAL 91 HA VAL 91 -9.564 16.121 2.242 677 HB VAL 91 HB VAL 91 -11.570 16.518 3.585 678 HG11 VAL 91 HG11 VAL 91 -11.634 16.798 0.616 679 HG12 VAL 91 HG12 VAL 91 -11.677 18.026 1.877 680 HG13 VAL 91 HG13 VAL 91 -13.134 17.131 1.485 681 HG21 VAL 91 HG21 VAL 91 -13.665 15.421 3.161 682 HG22 VAL 91 HG22 VAL 91 -12.455 14.159 3.379 683 HG23 VAL 91 HG23 VAL 91 -13.008 14.579 1.757 684 H ARG 92 H ARG 92 -9.065 15.825 4.438 685 HA ARG 92 HA ARG 92 -9.367 13.097 5.514 686 HB2 ARG 92 HB3 ARG 92 -6.853 14.788 5.488 687 HB3 ARG 92 HB2 ARG 92 -7.053 13.316 6.435 688 HG2 ARG 92 HG3 ARG 92 -7.409 12.008 4.406 689 HG3 ARG 92 HG2 ARG 92 -7.346 13.470 3.422 690 HD2 ARG 92 HD3 ARG 92 -5.183 12.356 3.321 691 HD3 ARG 92 HD2 ARG 92 -5.016 13.862 4.218 692 HE ARG 92 HE ARG 92 -5.573 11.709 5.999 693 HH11 ARG 92 HH11 ARG 92 -2.989 13.046 4.043 694 HH12 ARG 92 HH12 ARG 92 -1.737 12.404 5.054 695 HH21 ARG 92 HH21 ARG 92 -3.914 10.894 7.282 696 HH22 ARG 92 HH22 ARG 92 -2.258 11.196 6.872 697 H THR 93 H THR 93 -9.803 13.034 7.716 698 HA THR 93 HA THR 93 -10.466 15.604 8.925 699 HB THR 93 HB THR 93 -10.894 12.830 10.049 700 HG1 THR 93 HG1 THR 93 -12.965 13.054 9.197 701 HG21 THR 93 HG21 THR 93 -12.728 14.106 11.296 702 HG22 THR 93 HG22 THR 93 -11.927 15.582 10.756 703 HG23 THR 93 HG23 THR 93 -11.073 14.445 11.799 704 H GLU 94 H GLU 94 -8.843 16.658 9.826 705 HA GLU 94 HA GLU 94 -6.591 15.300 11.037 706 HB2 GLU 94 HB3 GLU 94 -7.305 18.247 10.952 707 HB3 GLU 94 HB2 GLU 94 -5.770 17.579 11.502 708 HG2 GLU 94 HG3 GLU 94 -5.476 16.555 9.227 709 HG3 GLU 94 HG2 GLU 94 -6.926 17.401 8.706 710 H VAL 95 H VAL 95 -6.337 14.883 13.142 711 HA VAL 95 HA VAL 95 -8.495 15.660 14.977 712 HB VAL 95 HB VAL 95 -6.241 13.650 15.299 713 HG11 VAL 95 HG11 VAL 95 -6.742 14.336 17.502 714 HG12 VAL 95 HG12 VAL 95 -7.783 12.930 17.279 715 HG13 VAL 95 HG13 VAL 95 -8.457 14.560 17.151 716 HG21 VAL 95 HG21 VAL 95 -8.145 12.017 15.187 717 HG22 VAL 95 HG22 VAL 95 -7.902 12.910 13.686 718 HG23 VAL 95 HG23 VAL 95 -9.215 13.358 14.776 719 H ILE 96 H ILE 96 -8.224 17.384 16.174 720 HA ILE 96 HA ILE 96 -5.500 18.153 17.029 721 HB ILE 96 HB ILE 96 -6.219 20.496 16.959 722 HG12 ILE 96 HG13 ILE 96 -8.620 19.648 15.322 723 HG13 ILE 96 HG12 ILE 96 -8.747 19.787 17.074 724 HG21 ILE 96 HG21 ILE 96 -6.378 18.894 14.401 725 HG22 ILE 96 HG22 ILE 96 -4.979 19.725 15.084 726 HG23 ILE 96 HG23 ILE 96 -6.323 20.659 14.429 727 HD11 ILE 96 HD11 ILE 96 -8.404 21.911 15.034 728 HD12 ILE 96 HD12 ILE 96 -7.525 22.134 16.550 729 HD13 ILE 96 HD13 ILE 96 -9.276 21.938 16.564 730 H CYS 97 H CYS 97 -5.419 19.366 18.991 731 HA CYS 97 HA CYS 97 -7.288 18.356 20.980 732 HB2 CYS 97 HB3 CYS 97 -4.900 18.407 21.429 733 HB3 CYS 97 HB2 CYS 97 -4.860 20.142 21.245 734 H ALA 98 H ALA 98 -8.867 19.517 21.941 735 HA ALA 98 HA ALA 98 -9.934 21.783 20.696 736 HB1 ALA 98 HB1 ALA 98 -10.430 20.958 23.557 737 HB2 ALA 98 HB2 ALA 98 -11.153 20.147 22.166 738 HB3 ALA 98 HB3 ALA 98 -11.517 21.844 22.487 739 H ASN 99 H ASN 99 -7.428 21.553 23.098 740 HA ASN 99 HA ASN 99 -7.664 24.420 23.730 741 HB2 ASN 99 HB3 ASN 99 -6.165 22.164 25.046 742 HB3 ASN 99 HB2 ASN 99 -5.994 23.854 25.517 743 HD21 ASN 99 HD21 ASN 99 -8.114 21.072 25.618 744 HD22 ASN 99 HD22 ASN 99 -9.319 21.778 26.581 745 H CYS 100 H CYS 100 -5.624 22.128 22.044 746 HA CYS 100 HA CYS 100 -3.965 24.374 21.148 747 HB2 CYS 100 HB3 CYS 100 -1.869 23.145 21.553 748 HB3 CYS 100 HB2 CYS 100 -2.733 23.490 23.050 749 H GLU 101 H GLU 101 -2.518 23.720 19.291 750 HA GLU 101 HA GLU 101 -4.145 22.284 17.400 751 HB2 GLU 101 HB3 GLU 101 -1.523 23.758 17.191 752 HB3 GLU 101 HB2 GLU 101 -2.186 22.849 15.833 753 HG2 GLU 101 HG3 GLU 101 -4.201 24.176 15.832 754 HG3 GLU 101 HG2 GLU 101 -3.742 24.970 17.335 755 H SER 102 H SER 102 -3.987 20.250 18.703 756 HA SER 102 HA SER 102 -1.529 18.727 18.383 757 HB2 SER 102 HB3 SER 102 -4.205 17.897 19.513 758 HB3 SER 102 HB2 SER 102 -2.736 16.933 19.551 759 HG SER 102 HG SER 102 -2.930 19.554 20.613 760 H HIS 103 H HIS 103 -2.241 19.496 15.972 761 HA HIS 103 HA HIS 103 -3.906 17.608 14.575 762 HB2 HIS 103 HB3 HIS 103 -2.673 18.622 12.507 763 HB3 HIS 103 HB2 HIS 103 -3.832 19.605 13.381 764 HD1 HIS 103 HD1 HIS 103 -2.721 21.846 12.795 765 HD2 HIS 103 HD2 HIS 103 -0.131 19.208 14.722 766 HE1 HIS 103 HE1 HIS 103 -0.670 23.190 13.430 767 HE2 HIS 103 HE2 HIS 103 0.917 21.596 14.606 768 H LEU 104 H LEU 104 -1.330 16.804 16.157 769 HA LEU 104 HA LEU 104 0.543 15.741 14.355 770 HB2 LEU 104 HB3 LEU 104 1.291 14.393 16.266 771 HB3 LEU 104 HB2 LEU 104 0.995 16.067 16.720 772 HG LEU 104 HG LEU 104 -1.441 15.123 17.323 773 HD11 LEU 104 HD11 LEU 104 0.375 12.706 17.361 774 HD12 LEU 104 HD12 LEU 104 -1.247 12.847 16.688 775 HD13 LEU 104 HD13 LEU 104 -1.021 12.813 18.434 776 HD21 LEU 104 HD21 LEU 104 -0.536 14.636 19.660 777 HD22 LEU 104 HD22 LEU 104 -0.085 16.202 18.983 778 HD23 LEU 104 HD23 LEU 104 1.079 14.878 18.991 779 H GLY 105 H GLY 105 -2.656 14.682 15.179 780 HA2 GLY 105 HA3 GLY 105 -2.132 12.115 13.772 781 HA3 GLY 105 HA2 GLY 105 -3.198 12.236 15.155 782 H HIS 106 H HIS 106 -4.241 11.077 13.087 783 HA HIS 106 HA HIS 106 -6.203 13.000 12.005 784 HB2 HIS 106 HB3 HIS 106 -4.643 10.951 10.418 785 HB3 HIS 106 HB2 HIS 106 -6.134 11.683 9.835 786 HD1 HIS 106 HD1 HIS 106 -2.678 12.739 11.042 787 HD2 HIS 106 HD2 HIS 106 -5.756 14.135 8.582 788 HE1 HIS 106 HE1 HIS 106 -1.802 14.829 9.911 789 HE2 HIS 106 HE2 HIS 106 -3.663 15.692 8.416 790 H VAL 107 H VAL 107 -8.192 11.891 11.220 791 HA VAL 107 HA VAL 107 -8.592 9.204 12.355 792 HB VAL 107 HB VAL 107 -9.413 10.808 14.014 793 HG11 VAL 107 HG11 VAL 107 -9.939 12.580 12.202 794 HG12 VAL 107 HG12 VAL 107 -11.021 12.470 13.589 795 HG13 VAL 107 HG13 VAL 107 -11.489 11.753 12.046 796 HG21 VAL 107 HG21 VAL 107 -10.636 8.754 13.956 797 HG22 VAL 107 HG22 VAL 107 -11.517 9.241 12.508 798 HG23 VAL 107 HG23 VAL 107 -11.847 10.034 14.048 799 H PHE 108 H PHE 108 -9.997 7.904 11.230 800 HA PHE 108 HA PHE 108 -11.029 9.001 8.673 801 HB2 PHE 108 HB3 PHE 108 -10.027 6.218 9.319 802 HB3 PHE 108 HB2 PHE 108 -10.797 6.674 7.800 803 HD1 PHE 108 HD1 PHE 108 -7.781 6.970 9.872 804 HD2 PHE 108 HD2 PHE 108 -9.693 8.221 6.235 805 HE1 PHE 108 HE1 PHE 108 -5.610 7.810 9.019 806 HE2 PHE 108 HE2 PHE 108 -7.522 9.061 5.382 807 HZ PHE 108 HZ PHE 108 -5.480 8.856 6.774 808 H ALA 109 H ALA 109 -13.135 8.683 8.169 809 HA ALA 109 HA ALA 109 -14.773 7.104 10.068 810 HB1 ALA 109 HB1 ALA 109 -15.056 9.626 10.147 811 HB2 ALA 109 HB2 ALA 109 -16.530 8.701 9.855 812 HB3 ALA 109 HB3 ALA 109 -15.720 9.515 8.517 813 H GLY 110 H GLY 110 -16.528 5.949 9.247 814 HA2 GLY 110 HA3 GLY 110 -17.853 4.885 7.663 815 HA3 GLY 110 HA2 GLY 110 -17.109 5.877 6.415 816 H GLU 111 H GLU 111 -14.892 4.249 8.477 817 HA GLU 111 HA GLU 111 -13.832 2.696 6.319 818 HB2 GLU 111 HB3 GLU 111 -12.491 3.695 8.207 819 HB3 GLU 111 HB2 GLU 111 -13.159 2.443 9.254 820 HG2 GLU 111 HG3 GLU 111 -12.234 0.698 7.795 821 HG3 GLU 111 HG2 GLU 111 -11.607 1.925 6.700 822 H GLY 112 H GLY 112 -16.062 2.041 8.947 823 HA2 GLY 112 HA3 GLY 112 -17.548 0.233 9.090 824 HA3 GLY 112 HA2 GLY 112 -16.644 -0.583 7.817 825 H TYR 113 H TYR 113 -15.543 0.775 10.906 826 HA TYR 113 HA TYR 113 -14.081 -1.661 11.509 827 HB2 TYR 113 HB3 TYR 113 -13.187 0.687 11.881 828 HB3 TYR 113 HB2 TYR 113 -14.319 0.812 13.227 829 HD1 TYR 113 HD1 TYR 113 -11.600 -1.373 11.863 830 HD2 TYR 113 HD2 TYR 113 -13.701 -0.010 15.355 831 HE1 TYR 113 HE1 TYR 113 -9.986 -2.581 13.307 832 HE2 TYR 113 HE2 TYR 113 -12.089 -1.221 16.798 833 HH TYR 113 HH TYR 113 -9.169 -2.592 15.540 834 H ASP 114 H ASP 114 -17.187 -1.230 11.696 835 HA ASP 114 HA ASP 114 -18.890 -2.028 12.953 836 HB2 ASP 114 HB3 ASP 114 -17.358 -4.067 12.713 837 HB3 ASP 114 HB2 ASP 114 -16.840 -3.737 14.361 838 H THR 115 H THR 115 -18.151 0.359 13.836 839 HA THR 115 HA THR 115 -18.346 0.148 16.760 840 HB THR 115 HB THR 115 -17.094 2.502 16.590 841 HG1 THR 115 HG1 THR 115 -15.719 2.616 14.926 842 HG21 THR 115 HG21 THR 115 -14.865 1.032 16.636 843 HG22 THR 115 HG22 THR 115 -16.029 -0.278 16.828 844 HG23 THR 115 HG23 THR 115 -16.000 1.056 17.986 845 HA PRO 116 HA PRO 116 -21.856 2.818 16.455 846 HB2 PRO 116 HB3 PRO 116 -21.491 4.524 18.596 847 HB3 PRO 116 HB2 PRO 116 -22.087 2.858 18.736 848 HG2 PRO 116 HG3 PRO 116 -19.333 3.921 19.172 849 HG3 PRO 116 HG2 PRO 116 -20.243 2.721 20.108 850 HD2 PRO 116 HD3 PRO 116 -18.326 1.997 18.356 851 HD3 PRO 116 HD2 PRO 116 -19.778 1.005 18.592 852 H THR 117 H THR 117 -18.677 4.260 16.616 853 HA THR 117 HA THR 117 -19.651 6.767 15.388 854 HB THR 117 HB THR 117 -17.463 7.706 15.987 855 HG1 THR 117 HG1 THR 117 -16.013 6.162 15.989 856 HG21 THR 117 HG21 THR 117 -19.468 7.285 17.727 857 HG22 THR 117 HG22 THR 117 -17.936 8.002 18.224 858 HG23 THR 117 HG23 THR 117 -18.232 6.286 18.499 859 H ASP 118 H ASP 118 -17.863 3.878 14.761 860 HA ASP 118 HA ASP 118 -16.740 3.080 12.923 861 HB2 ASP 118 HB3 ASP 118 -18.408 5.177 11.508 862 HB3 ASP 118 HB2 ASP 118 -17.565 3.840 10.727 863 H LEU 119 H LEU 119 -15.414 5.039 14.485 864 HA LEU 119 HA LEU 119 -13.878 6.556 12.468 865 HB2 LEU 119 HB3 LEU 119 -14.282 7.030 15.423 866 HB3 LEU 119 HB2 LEU 119 -13.108 7.909 14.447 867 HG LEU 119 HG LEU 119 -16.048 7.781 13.736 868 HD11 LEU 119 HD11 LEU 119 -14.665 10.094 15.110 869 HD12 LEU 119 HD12 LEU 119 -15.502 8.838 16.028 870 HD13 LEU 119 HD13 LEU 119 -16.394 9.837 14.878 871 HD21 LEU 119 HD21 LEU 119 -14.680 8.432 11.862 872 HD22 LEU 119 HD22 LEU 119 -13.688 9.487 12.869 873 HD23 LEU 119 HD23 LEU 119 -15.360 9.923 12.512 874 H ARG 120 H ARG 120 -11.746 6.220 12.246 875 HA ARG 120 HA ARG 120 -10.449 4.293 14.080 876 HB2 ARG 120 HB3 ARG 120 -10.883 3.405 11.766 877 HB3 ARG 120 HB2 ARG 120 -9.833 4.676 11.137 878 HG2 ARG 120 HG3 ARG 120 -7.970 3.825 12.515 879 HG3 ARG 120 HG2 ARG 120 -9.019 2.558 13.150 880 HD2 ARG 120 HD3 ARG 120 -9.337 1.682 10.862 881 HD3 ARG 120 HD2 ARG 120 -8.263 2.934 10.241 882 HE ARG 120 HE ARG 120 -6.909 1.512 12.267 883 HH11 ARG 120 HH11 ARG 120 -8.116 1.006 9.015 884 HH12 ARG 120 HH12 ARG 120 -6.927 -0.195 8.637 885 HH21 ARG 120 HH21 ARG 120 -5.382 -0.053 11.732 886 HH22 ARG 120 HH22 ARG 120 -5.393 -0.788 10.163 887 H TYR 121 H TYR 121 -9.944 6.279 15.304 888 HA TYR 121 HA TYR 121 -8.340 8.375 14.312 889 HB2 TYR 121 HB3 TYR 121 -8.417 7.226 17.108 890 HB3 TYR 121 HB2 TYR 121 -7.772 8.796 16.664 891 HD1 TYR 121 HD1 TYR 121 -10.820 6.800 17.141 892 HD2 TYR 121 HD2 TYR 121 -9.262 10.652 16.083 893 HE1 TYR 121 HE1 TYR 121 -13.063 7.787 17.480 894 HE2 TYR 121 HE2 TYR 121 -11.511 11.647 16.405 895 HH TYR 121 HH TYR 121 -13.569 11.166 17.625 896 H CYS 122 H CYS 122 -6.284 8.301 13.629 897 HA CYS 122 HA CYS 122 -4.535 6.110 14.569 898 HB2 CYS 122 HB3 CYS 122 -4.344 7.802 12.056 899 HB3 CYS 122 HB2 CYS 122 -3.212 6.532 12.522 900 HG CYS 122 HG CYS 122 -5.819 6.054 11.128 901 H ILE 123 H ILE 123 -3.943 7.160 16.481 902 HA ILE 123 HA ILE 123 -2.258 9.574 16.123 903 HB ILE 123 HB ILE 123 -3.533 8.927 18.773 904 HG12 ILE 123 HG13 ILE 123 -5.469 8.976 17.247 905 HG13 ILE 123 HG12 ILE 123 -5.455 10.396 18.277 906 HG21 ILE 123 HG21 ILE 123 -1.769 10.640 18.608 907 HG22 ILE 123 HG22 ILE 123 -3.311 11.351 19.091 908 HG23 ILE 123 HG23 ILE 123 -2.742 11.524 17.427 909 HD11 ILE 123 HD11 ILE 123 -4.292 10.454 15.488 910 HD12 ILE 123 HD12 ILE 123 -4.778 11.820 16.491 911 HD13 ILE 123 HD13 ILE 123 -6.003 10.758 15.785 912 H ASN 124 H ASN 124 -0.308 9.629 17.232 913 HA ASN 124 HA ASN 124 0.569 7.040 18.366 914 HB2 ASN 124 HB3 ASN 124 1.729 8.465 16.333 915 HB3 ASN 124 HB2 ASN 124 2.630 9.062 17.723 916 HD21 ASN 124 HD21 ASN 124 3.695 7.316 15.595 917 HD22 ASN 124 HD22 ASN 124 4.182 5.878 16.351 918 H SER 125 H SER 125 2.460 7.425 20.012 919 HA SER 125 HA SER 125 1.478 9.422 21.957 920 HB2 SER 125 HB3 SER 125 1.312 7.113 22.732 921 HB3 SER 125 HB2 SER 125 3.023 6.857 22.403 922 HG SER 125 HG SER 125 3.286 7.571 24.360 923 H VAL 126 H VAL 126 2.693 11.139 21.040 924 HA VAL 126 HA VAL 126 5.583 10.977 20.951 925 HB VAL 126 HB VAL 126 4.228 12.370 19.349 926 HG11 VAL 126 HG11 VAL 126 3.133 14.324 19.957 927 HG12 VAL 126 HG12 VAL 126 4.091 14.545 21.424 928 HG13 VAL 126 HG13 VAL 126 2.807 13.330 21.376 929 HG21 VAL 126 HG21 VAL 126 5.818 14.358 19.535 930 HG22 VAL 126 HG22 VAL 126 6.574 12.766 19.470 931 HG23 VAL 126 HG23 VAL 126 6.427 13.610 21.012 932 H CYS 127 H CYS 127 4.979 10.183 23.403 933 HA CYS 127 HA CYS 127 5.515 10.491 25.600 934 HB2 CYS 127 HB3 CYS 127 6.620 13.161 24.678 935 HB3 CYS 127 HB2 CYS 127 6.753 12.541 26.317 936 HG CYS 127 HG CYS 127 8.718 11.871 24.336 937 H LEU 128 H LEU 128 3.059 10.532 25.257 938 HA LEU 128 HA LEU 128 1.754 13.008 26.080 939 HB2 LEU 128 HB3 LEU 128 0.622 11.738 24.395 940 HB3 LEU 128 HB2 LEU 128 0.782 10.242 25.303 941 HG LEU 128 HG LEU 128 -0.720 12.485 26.634 942 HD11 LEU 128 HD11 LEU 128 -1.799 10.876 24.307 943 HD12 LEU 128 HD12 LEU 128 -1.695 12.632 24.438 944 HD13 LEU 128 HD13 LEU 128 -2.820 11.737 25.458 945 HD21 LEU 128 HD21 LEU 128 -0.490 10.404 27.844 946 HD22 LEU 128 HD22 LEU 128 -0.998 9.470 26.445 947 HD23 LEU 128 HD23 LEU 128 -2.160 10.493 27.289 948 H THR 129 H THR 129 0.486 13.128 28.031 949 HA THR 129 HA THR 129 1.784 11.771 30.255 950 HB THR 129 HB THR 129 -0.308 13.962 30.220 951 HG1 THR 129 HG1 THR 129 2.470 14.094 30.721 952 HG21 THR 129 HG21 THR 129 0.258 14.312 32.551 953 HG22 THR 129 HG22 THR 129 1.515 13.077 32.477 954 HG23 THR 129 HG23 THR 129 -0.184 12.616 32.351 955 H LEU 130 H LEU 130 0.980 10.227 31.467 956 HA LEU 130 HA LEU 130 -1.634 9.076 30.804 957 HB2 LEU 130 HB3 LEU 130 0.155 7.504 30.715 958 HB3 LEU 130 HB2 LEU 130 0.842 8.084 32.213 959 HG LEU 130 HG LEU 130 -0.294 5.804 32.273 960 HD11 LEU 130 HD11 LEU 130 -0.784 6.016 34.507 961 HD12 LEU 130 HD12 LEU 130 -1.612 7.556 34.311 962 HD13 LEU 130 HD13 LEU 130 0.149 7.488 34.252 963 HD21 LEU 130 HD21 LEU 130 -2.414 6.957 31.022 964 HD22 LEU 130 HD22 LEU 130 -2.958 7.063 32.697 965 HD23 LEU 130 HD23 LEU 130 -2.534 5.500 32.006 966 H ILE 131 H ILE 131 -3.322 9.101 32.151 967 HA ILE 131 HA ILE 131 -2.985 10.365 34.803 968 HB ILE 131 HB ILE 131 -5.488 10.021 33.122 969 HG12 ILE 131 HG13 ILE 131 -3.947 11.647 32.094 970 HG13 ILE 131 HG12 ILE 131 -5.358 12.463 32.748 971 HG21 ILE 131 HG21 ILE 131 -6.191 10.104 35.382 972 HG22 ILE 131 HG22 ILE 131 -6.375 11.757 34.798 973 HG23 ILE 131 HG23 ILE 131 -4.988 11.325 35.798 974 HD11 ILE 131 HD11 ILE 131 -3.354 13.748 33.304 975 HD12 ILE 131 HD12 ILE 131 -2.606 12.326 34.030 976 HD13 ILE 131 HD13 ILE 131 -4.021 13.058 34.785 977 HA PRO 132 HA PRO 132 -3.734 6.049 36.105 978 HB2 PRO 132 HB3 PRO 132 -3.223 6.431 38.770 979 HB3 PRO 132 HB2 PRO 132 -1.950 6.208 37.555 980 HG2 PRO 132 HG3 PRO 132 -2.928 8.711 38.824 981 HG3 PRO 132 HG2 PRO 132 -1.288 8.239 38.368 982 HD2 PRO 132 HD3 PRO 132 -2.822 9.952 36.915 983 HD3 PRO 132 HD2 PRO 132 -1.531 8.948 36.219 984 H ALA 133 H ALA 133 -5.967 6.380 35.557 985 HA ALA 133 HA ALA 133 -7.878 7.712 37.071 986 HB1 ALA 133 HB1 ALA 133 -7.925 5.473 35.093 987 HB2 ALA 133 HB2 ALA 133 -8.658 7.077 34.995 988 HB3 ALA 133 HB3 ALA 133 -9.400 5.829 35.996 989 H GLU 134 H GLU 134 -7.459 4.138 37.032 990 HA GLU 134 HA GLU 134 -7.394 3.795 39.834 991 HB2 GLU 134 HB3 GLU 134 -9.751 4.652 39.621 992 HB3 GLU 134 HB2 GLU 134 -10.111 3.255 38.612 993 HG2 GLU 134 HG3 GLU 134 -9.503 1.744 40.458 994 HG3 GLU 134 HG2 GLU 134 -9.079 3.123 41.464 995 H GLU 135 H GLU 135 -8.571 2.437 36.772 996 HA GLU 135 HA GLU 135 -8.347 0.380 35.802 997 HB2 GLU 135 HB3 GLU 135 -5.924 0.229 37.615 998 HB3 GLU 135 HB2 GLU 135 -6.267 -0.890 36.297 999 HG2 GLU 135 HG3 GLU 135 -6.261 1.014 34.704 1000 HG3 GLU 135 HG2 GLU 135 -5.849 2.100 36.031 1001 H SER 136 H SER 136 -10.259 0.477 37.638 1002 HA SER 136 HA SER 136 -10.213 -1.277 39.807 1003 HB2 SER 136 HB3 SER 136 -12.629 -0.964 38.043 1004 HB3 SER 136 HB2 SER 136 -12.560 -1.158 39.793 1005 HG SER 136 HG SER 136 -12.940 1.035 38.953 Start of MODEL 9 1 H MET 1 H1 MET 1 -5.673 26.384 32.207 2 HA MET 1 HA MET 1 -7.960 26.475 31.930 3 HB2 MET 1 HB3 MET 1 -8.320 26.230 34.446 4 HB3 MET 1 HB2 MET 1 -8.168 27.982 34.551 5 HG2 MET 1 HG3 MET 1 -10.056 28.254 32.994 6 HG3 MET 1 HG2 MET 1 -10.191 26.503 32.842 7 HE1 MET 1 HE1 MET 1 -9.606 28.842 36.174 8 HE2 MET 1 HE2 MET 1 -11.315 29.261 36.259 9 HE3 MET 1 HE3 MET 1 -10.406 29.590 34.785 10 H THR 2 H THR 2 -5.859 27.979 30.974 11 HA THR 2 HA THR 2 -7.082 30.654 30.677 12 HB THR 2 HB THR 2 -4.828 31.647 30.581 13 HG1 THR 2 HG1 THR 2 -3.332 30.245 30.160 14 HG21 THR 2 HG21 THR 2 -4.412 31.657 32.925 15 HG22 THR 2 HG22 THR 2 -5.072 30.033 33.125 16 HG23 THR 2 HG23 THR 2 -6.146 31.383 32.758 17 H ASN 3 H ASN 3 -6.430 31.756 28.673 18 HA ASN 3 HA ASN 3 -6.725 30.092 26.399 19 HB2 ASN 3 HB3 ASN 3 -7.356 32.547 26.615 20 HB3 ASN 3 HB2 ASN 3 -5.647 32.917 26.420 21 HD21 ASN 3 HD21 ASN 3 -6.056 33.992 24.366 22 HD22 ASN 3 HD22 ASN 3 -6.440 33.106 22.973 23 H PHE 4 H PHE 4 -5.247 28.873 25.410 24 HA PHE 4 HA PHE 4 -2.452 29.053 26.118 25 HB2 PHE 4 HB3 PHE 4 -3.952 27.268 24.196 26 HB3 PHE 4 HB2 PHE 4 -2.227 27.124 24.542 27 HD1 PHE 4 HD1 PHE 4 -5.631 26.808 25.943 28 HD2 PHE 4 HD2 PHE 4 -1.434 26.274 26.670 29 HE1 PHE 4 HE1 PHE 4 -6.151 25.480 27.973 30 HE2 PHE 4 HE2 PHE 4 -1.951 24.950 28.701 31 HZ PHE 4 HZ PHE 4 -4.310 24.551 29.352 32 H LYS 5 H LYS 5 -4.404 30.433 23.672 33 HA LYS 5 HA LYS 5 -2.577 30.536 21.507 34 HB2 LYS 5 HB3 LYS 5 -4.773 32.510 22.184 35 HB3 LYS 5 HB2 LYS 5 -4.027 32.280 20.609 36 HG2 LYS 5 HG3 LYS 5 -5.560 30.123 22.087 37 HG3 LYS 5 HG2 LYS 5 -6.263 31.153 20.846 38 HD2 LYS 5 HD3 LYS 5 -4.818 30.252 19.153 39 HD3 LYS 5 HD2 LYS 5 -3.826 29.421 20.351 40 HE2 LYS 5 HE3 LYS 5 -5.294 27.777 19.397 41 HE3 LYS 5 HE2 LYS 5 -5.873 28.125 21.029 42 HZ1 LYS 5 HZ1 LYS 5 -7.806 28.307 19.866 43 HZ2 LYS 5 HZ2 LYS 5 -7.050 28.840 18.442 44 HZ3 LYS 5 HZ3 LYS 5 -7.270 29.911 19.742 45 H LEU 6 H LEU 6 -2.910 32.429 24.413 46 HA LEU 6 HA LEU 6 -1.285 34.629 23.457 47 HB2 LEU 6 HB3 LEU 6 -2.322 34.021 26.236 48 HB3 LEU 6 HB2 LEU 6 -1.610 35.539 25.708 49 HG LEU 6 HG LEU 6 -4.147 34.318 24.565 50 HD11 LEU 6 HD11 LEU 6 -5.365 35.934 25.827 51 HD12 LEU 6 HD12 LEU 6 -3.894 36.789 26.290 52 HD13 LEU 6 HD13 LEU 6 -4.235 35.193 26.960 53 HD21 LEU 6 HD21 LEU 6 -4.374 36.729 23.649 54 HD22 LEU 6 HD22 LEU 6 -3.205 35.674 22.855 55 HD23 LEU 6 HD23 LEU 6 -2.652 36.892 24.007 56 H ILE 7 H ILE 7 -0.531 31.548 24.578 57 HA ILE 7 HA ILE 7 1.648 32.091 26.319 58 HB ILE 7 HB ILE 7 1.149 29.652 24.583 59 HG12 ILE 7 HG13 ILE 7 0.521 30.098 27.519 60 HG13 ILE 7 HG12 ILE 7 -0.671 30.276 26.234 61 HG21 ILE 7 HG21 ILE 7 3.462 29.691 25.329 62 HG22 ILE 7 HG22 ILE 7 2.595 28.538 26.339 63 HG23 ILE 7 HG23 ILE 7 2.976 30.141 26.963 64 HD11 ILE 7 HD11 ILE 7 -0.691 28.011 27.339 65 HD12 ILE 7 HD12 ILE 7 0.935 27.753 26.703 66 HD13 ILE 7 HD13 ILE 7 -0.423 27.956 25.596 67 H THR 8 H THR 8 3.792 32.290 25.948 68 HA THR 8 HA THR 8 4.612 33.242 23.340 69 HB THR 8 HB THR 8 6.731 33.768 24.483 70 HG1 THR 8 HG1 THR 8 5.448 32.441 26.605 71 HG21 THR 8 HG21 THR 8 5.034 35.467 24.607 72 HG22 THR 8 HG22 THR 8 5.762 35.344 26.209 73 HG23 THR 8 HG23 THR 8 4.192 34.604 25.895 74 H ASP 9 H ASP 9 6.710 32.480 22.430 75 HA ASP 9 HA ASP 9 6.605 29.724 21.894 76 HB2 ASP 9 HB3 ASP 9 8.764 31.783 21.424 77 HB3 ASP 9 HB2 ASP 9 8.896 30.119 20.865 78 H THR 10 H THR 10 8.639 31.601 24.106 79 HA THR 10 HA THR 10 10.383 29.512 24.870 80 HB THR 10 HB THR 10 9.498 31.939 26.465 81 HG1 THR 10 HG1 THR 10 10.650 32.942 25.046 82 HG21 THR 10 HG21 THR 10 10.667 30.056 27.742 83 HG22 THR 10 HG22 THR 10 11.479 31.622 27.784 84 HG23 THR 10 HG23 THR 10 12.069 30.353 26.712 85 H GLU 11 H GLU 11 7.316 30.666 26.258 86 HA GLU 11 HA GLU 11 7.234 28.963 28.484 87 HB2 GLU 11 HB3 GLU 11 5.063 30.272 26.868 88 HB3 GLU 11 HB2 GLU 11 4.729 29.348 28.326 89 HG2 GLU 11 HG3 GLU 11 6.148 30.825 29.638 90 HG3 GLU 11 HG2 GLU 11 6.660 31.680 28.190 91 H TRP 12 H TRP 12 6.188 28.451 25.144 92 HA TRP 12 HA TRP 12 4.879 25.969 25.567 93 HB2 TRP 12 HB3 TRP 12 6.086 27.343 23.185 94 HB3 TRP 12 HB2 TRP 12 5.580 25.662 23.051 95 HD1 TRP 12 HD1 TRP 12 4.272 29.054 22.664 96 HE1 TRP 12 HE1 TRP 12 1.693 29.035 22.602 97 HE3 TRP 12 HE3 TRP 12 3.403 24.354 24.415 98 HZ2 TRP 12 HZ2 TRP 12 -0.462 27.243 23.224 99 HZ3 TRP 12 HZ3 TRP 12 1.092 23.510 24.677 100 HH2 TRP 12 HH2 TRP 12 -0.842 24.940 24.080 101 H ARG 13 H ARG 13 8.236 26.824 24.846 102 HA ARG 13 HA ARG 13 9.214 24.202 24.425 103 HB2 ARG 13 HB3 ARG 13 10.585 26.748 25.300 104 HB3 ARG 13 HB2 ARG 13 11.447 25.251 24.943 105 HG2 ARG 13 HG3 ARG 13 10.583 25.237 22.667 106 HG3 ARG 13 HG2 ARG 13 9.583 26.650 23.004 107 HD2 ARG 13 HD3 ARG 13 11.600 27.356 21.831 108 HD3 ARG 13 HD2 ARG 13 11.644 27.959 23.486 109 HE ARG 13 HE ARG 13 12.948 25.430 23.312 110 HH11 ARG 13 HH11 ARG 13 13.403 28.812 22.510 111 HH12 ARG 13 HH12 ARG 13 15.130 28.719 22.595 112 HH21 ARG 13 HH21 ARG 13 15.196 25.355 23.412 113 HH22 ARG 13 HH22 ARG 13 16.135 26.776 23.102 114 H GLN 14 H GLN 14 8.972 26.221 27.315 115 HA GLN 14 HA GLN 14 10.148 24.133 28.983 116 HB2 GLN 14 HB3 GLN 14 9.684 25.809 30.858 117 HB3 GLN 14 HB2 GLN 14 10.861 26.286 29.641 118 HG2 GLN 14 HG3 GLN 14 9.600 28.015 28.914 119 HG3 GLN 14 HG2 GLN 14 8.107 27.099 28.975 120 HE21 GLN 14 HE21 GLN 14 8.307 29.819 29.858 121 HE22 GLN 14 HE22 GLN 14 8.018 29.848 31.528 122 H ARG 15 H ARG 15 7.243 24.280 27.635 123 HA ARG 15 HA ARG 15 5.695 23.578 30.040 124 HB2 ARG 15 HB3 ARG 15 5.052 24.688 27.358 125 HB3 ARG 15 HB2 ARG 15 3.879 23.537 28.005 126 HG2 ARG 15 HG3 ARG 15 3.445 24.865 29.911 127 HG3 ARG 15 HG2 ARG 15 4.899 25.833 29.679 128 HD2 ARG 15 HD3 ARG 15 3.964 27.024 27.883 129 HD3 ARG 15 HD2 ARG 15 2.727 25.808 27.589 130 HE ARG 15 HE ARG 15 1.389 26.882 29.130 131 HH11 ARG 15 HH11 ARG 15 4.712 27.767 29.805 132 HH12 ARG 15 HH12 ARG 15 4.276 28.921 31.020 133 HH21 ARG 15 HH21 ARG 15 0.871 28.407 30.697 134 HH22 ARG 15 HH22 ARG 15 2.120 29.280 31.520 135 H LEU 16 H LEU 16 6.559 22.364 26.821 136 HA LEU 16 HA LEU 16 6.106 19.631 27.803 137 HB2 LEU 16 HB3 LEU 16 5.239 19.099 25.406 138 HB3 LEU 16 HB2 LEU 16 4.137 19.762 26.593 139 HG LEU 16 HG LEU 16 3.969 20.728 24.258 140 HD11 LEU 16 HD11 LEU 16 3.533 21.928 26.680 141 HD12 LEU 16 HD12 LEU 16 3.082 22.604 25.122 142 HD13 LEU 16 HD13 LEU 16 4.582 23.108 25.894 143 HD21 LEU 16 HD21 LEU 16 6.272 20.929 23.585 144 HD22 LEU 16 HD22 LEU 16 6.658 21.933 24.980 145 HD23 LEU 16 HD23 LEU 16 5.621 22.564 23.708 146 H SER 17 H SER 17 6.878 18.033 26.003 147 HA SER 17 HA SER 17 9.658 18.219 25.824 148 HB2 SER 17 HB3 SER 17 7.655 16.573 24.280 149 HB3 SER 17 HB2 SER 17 9.393 16.368 24.103 150 HG SER 17 HG SER 17 9.511 15.586 26.102 151 H SER 18 H SER 18 11.043 18.449 23.993 152 HA SER 18 HA SER 18 10.548 20.718 22.416 153 HB2 SER 18 HB3 SER 18 12.570 20.081 21.182 154 HB3 SER 18 HB2 SER 18 12.816 19.872 22.912 155 HG SER 18 HG SER 18 12.598 17.990 20.879 156 H GLU 19 H GLU 19 10.076 17.288 21.807 157 HA GLU 19 HA GLU 19 9.428 17.524 19.048 158 HB2 GLU 19 HB3 GLU 19 8.309 15.265 19.423 159 HB3 GLU 19 HB2 GLU 19 10.028 15.344 19.772 160 HG2 GLU 19 HG3 GLU 19 8.237 15.930 22.074 161 HG3 GLU 19 HG2 GLU 19 8.163 14.283 21.463 162 H GLU 20 H GLU 20 7.496 17.616 22.022 163 HA GLU 20 HA GLU 20 4.936 17.671 20.861 164 HB2 GLU 20 HB3 GLU 20 6.007 18.836 23.438 165 HB3 GLU 20 HB2 GLU 20 4.299 18.861 23.004 166 HG2 GLU 20 HG3 GLU 20 5.906 16.301 23.036 167 HG3 GLU 20 HG2 GLU 20 5.092 16.908 24.473 168 H TYR 21 H TYR 21 7.299 20.213 21.524 169 HA TYR 21 HA TYR 21 5.708 22.472 21.093 170 HB2 TYR 21 HB3 TYR 21 7.985 22.501 22.057 171 HB3 TYR 21 HB2 TYR 21 8.654 22.064 20.490 172 HD1 TYR 21 HD1 TYR 21 7.406 24.773 22.572 173 HD2 TYR 21 HD2 TYR 21 8.404 23.658 18.542 174 HE1 TYR 21 HE1 TYR 21 7.501 27.165 21.924 175 HE2 TYR 21 HE2 TYR 21 8.499 26.049 17.904 176 HH TYR 21 HH TYR 21 7.163 28.438 19.526 177 H ARG 22 H ARG 22 7.827 20.771 18.716 178 HA ARG 22 HA ARG 22 6.935 22.409 16.532 179 HB2 ARG 22 HB3 ARG 22 8.308 21.002 15.125 180 HB3 ARG 22 HB2 ARG 22 9.187 21.344 16.609 181 HG2 ARG 22 HG3 ARG 22 8.427 19.121 17.505 182 HG3 ARG 22 HG2 ARG 22 7.698 18.783 15.931 183 HD2 ARG 22 HD3 ARG 22 9.908 19.064 14.857 184 HD3 ARG 22 HD2 ARG 22 10.633 19.365 16.434 185 HE ARG 22 HE ARG 22 9.250 16.899 16.515 186 HH11 ARG 22 HH11 ARG 22 12.110 18.319 15.068 187 HH12 ARG 22 HH12 ARG 22 12.959 16.812 14.991 188 HH21 ARG 22 HH21 ARG 22 10.391 14.964 16.395 189 HH22 ARG 22 HH22 ARG 22 11.992 14.929 15.736 190 H VAL 23 H VAL 23 6.175 19.187 17.674 191 HA VAL 23 HA VAL 23 4.563 18.334 15.538 192 HB VAL 23 HB VAL 23 4.715 17.555 18.457 193 HG11 VAL 23 HG11 VAL 23 3.101 16.319 16.219 194 HG12 VAL 23 HG12 VAL 23 2.516 16.881 17.784 195 HG13 VAL 23 HG13 VAL 23 3.536 15.443 17.688 196 HG21 VAL 23 HG21 VAL 23 5.615 16.104 15.957 197 HG22 VAL 23 HG22 VAL 23 6.013 15.705 17.626 198 HG23 VAL 23 HG23 VAL 23 6.663 17.167 16.888 199 H LEU 24 H LEU 24 3.799 20.083 18.497 200 HA LEU 24 HA LEU 24 0.958 20.201 17.945 201 HB2 LEU 24 HB3 LEU 24 2.660 21.543 20.060 202 HB3 LEU 24 HB2 LEU 24 0.904 21.665 19.975 203 HG LEU 24 HG LEU 24 2.381 19.019 20.162 204 HD11 LEU 24 HD11 LEU 24 1.532 19.099 22.571 205 HD12 LEU 24 HD12 LEU 24 1.231 20.817 22.310 206 HD13 LEU 24 HD13 LEU 24 2.874 20.183 22.196 207 HD21 LEU 24 HD21 LEU 24 -0.516 19.883 20.334 208 HD22 LEU 24 HD22 LEU 24 0.022 18.371 21.067 209 HD23 LEU 24 HD23 LEU 24 0.194 18.619 19.330 210 H ARG 25 H ARG 25 3.689 21.993 16.937 211 HA ARG 25 HA ARG 25 2.341 24.547 16.708 212 HB2 ARG 25 HB3 ARG 25 5.061 23.603 16.573 213 HB3 ARG 25 HB2 ARG 25 4.715 24.472 15.092 214 HG2 ARG 25 HG3 ARG 25 3.766 26.336 16.584 215 HG3 ARG 25 HG2 ARG 25 4.533 25.494 17.933 216 HD2 ARG 25 HD3 ARG 25 6.713 25.641 16.791 217 HD3 ARG 25 HD2 ARG 25 5.953 26.473 15.438 218 HE ARG 25 HE ARG 25 6.606 27.607 18.028 219 HH11 ARG 25 HH11 ARG 25 4.649 27.935 15.138 220 HH12 ARG 25 HH12 ARG 25 4.411 29.637 15.354 221 HH21 ARG 25 HH21 ARG 25 6.281 29.824 18.260 222 HH22 ARG 25 HH22 ARG 25 5.328 30.695 17.106 223 H GLU 26 H GLU 26 3.788 22.299 14.328 224 HA GLU 26 HA GLU 26 1.663 23.093 12.427 225 HB2 GLU 26 HB3 GLU 26 3.334 23.231 10.621 226 HB3 GLU 26 HB2 GLU 26 3.644 24.410 11.892 227 HG2 GLU 26 HG3 GLU 26 5.327 22.859 12.881 228 HG3 GLU 26 HG2 GLU 26 5.047 21.738 11.553 229 H ALA 27 H ALA 27 1.985 20.616 14.025 230 HA ALA 27 HA ALA 27 1.815 18.333 13.751 231 HB1 ALA 27 HB1 ALA 27 1.254 18.486 10.848 232 HB2 ALA 27 HB2 ALA 27 0.204 19.474 11.859 233 HB3 ALA 27 HB3 ALA 27 0.319 17.738 12.142 234 H GLY 28 H GLY 28 4.346 19.082 13.809 235 HA2 GLY 28 HA3 GLY 28 6.001 18.670 11.601 236 HA3 GLY 28 HA2 GLY 28 6.493 18.476 13.276 237 H THR 29 H THR 29 4.861 16.313 14.031 238 HA THR 29 HA THR 29 4.762 14.109 12.324 239 HB THR 29 HB THR 29 6.981 13.062 13.665 240 HG1 THR 29 HG1 THR 29 8.611 14.656 13.113 241 HG21 THR 29 HG21 THR 29 6.418 13.967 10.883 242 HG22 THR 29 HG22 THR 29 6.960 12.399 11.477 243 HG23 THR 29 HG23 THR 29 8.114 13.718 11.299 244 H GLU 30 H GLU 30 5.269 11.953 13.868 245 HA GLU 30 HA GLU 30 4.306 12.435 16.578 246 HB2 GLU 30 HB3 GLU 30 2.396 10.863 16.302 247 HB3 GLU 30 HB2 GLU 30 2.217 12.312 15.324 248 HG2 GLU 30 HG3 GLU 30 3.178 11.023 13.376 249 HG3 GLU 30 HG2 GLU 30 3.099 9.571 14.366 250 H ALA 31 H ALA 31 6.715 11.681 16.366 251 HA ALA 31 HA ALA 31 6.929 8.753 16.228 252 HB1 ALA 31 HB1 ALA 31 8.579 10.007 14.957 253 HB2 ALA 31 HB2 ALA 31 9.365 9.166 16.294 254 HB3 ALA 31 HB3 ALA 31 9.053 10.898 16.404 255 HA PRO 32 HA PRO 32 6.924 8.857 20.782 256 HB2 PRO 32 HB3 PRO 32 6.704 6.187 21.165 257 HB3 PRO 32 HB2 PRO 32 5.328 7.187 20.656 258 HG2 PRO 32 HG3 PRO 32 7.124 5.480 18.983 259 HG3 PRO 32 HG2 PRO 32 5.361 5.605 18.955 260 HD2 PRO 32 HD3 PRO 32 6.940 6.882 17.181 261 HD3 PRO 32 HD2 PRO 32 5.387 7.542 17.733 262 H HIS 33 H HIS 33 8.159 7.042 22.346 263 HA HIS 33 HA HIS 33 10.181 6.395 23.196 264 HB2 HIS 33 HB3 HIS 33 10.761 5.918 20.266 265 HB3 HIS 33 HB2 HIS 33 11.824 5.411 21.578 266 HD1 HIS 33 HD1 HIS 33 10.995 3.486 23.122 267 HD2 HIS 33 HD2 HIS 33 8.348 4.433 20.051 268 HE1 HIS 33 HE1 HIS 33 9.284 1.620 23.053 269 HE2 HIS 33 HE2 HIS 33 7.663 2.181 21.180 270 H THR 34 H THR 34 9.742 9.145 22.813 271 HA THR 34 HA THR 34 12.450 10.160 22.181 272 HB THR 34 HB THR 34 11.337 12.369 21.880 273 HG1 THR 34 HG1 THR 34 9.022 12.243 21.650 274 HG21 THR 34 HG21 THR 34 11.774 11.087 19.899 275 HG22 THR 34 HG22 THR 34 10.131 11.709 19.747 276 HG23 THR 34 HG23 THR 34 10.398 10.028 20.208 277 H GLY 35 H GLY 35 11.155 9.027 24.767 278 HA2 GLY 35 HA3 GLY 35 12.436 10.858 26.582 279 HA3 GLY 35 HA2 GLY 35 10.681 10.812 26.758 280 H GLU 36 H GLU 36 13.435 9.544 27.946 281 HA GLU 36 HA GLU 36 12.922 6.773 28.136 282 HB2 GLU 36 HB3 GLU 36 14.660 6.781 29.844 283 HB3 GLU 36 HB2 GLU 36 15.111 7.814 28.489 284 HG2 GLU 36 HG3 GLU 36 14.385 9.807 29.745 285 HG3 GLU 36 HG2 GLU 36 13.918 8.785 31.101 286 H TYR 37 H TYR 37 11.877 9.493 30.073 287 HA TYR 37 HA TYR 37 10.846 7.896 32.236 288 HB2 TYR 37 HB3 TYR 37 9.846 10.007 33.041 289 HB3 TYR 37 HB2 TYR 37 11.558 10.186 32.670 290 HD1 TYR 37 HD1 TYR 37 8.122 10.979 31.569 291 HD2 TYR 37 HD2 TYR 37 12.310 11.544 30.798 292 HE1 TYR 37 HE1 TYR 37 7.584 12.824 30.002 293 HE2 TYR 37 HE2 TYR 37 11.772 13.388 29.229 294 HH TYR 37 HH TYR 37 9.855 15.021 28.903 295 H THR 38 H THR 38 9.696 8.561 29.101 296 HA THR 38 HA THR 38 6.883 8.552 29.706 297 HB THR 38 HB THR 38 8.315 8.151 27.067 298 HG1 THR 38 HG1 THR 38 8.262 10.335 26.890 299 HG21 THR 38 HG21 THR 38 5.836 7.595 27.287 300 HG22 THR 38 HG22 THR 38 6.261 8.787 26.060 301 HG23 THR 38 HG23 THR 38 5.585 9.310 27.603 302 H ASN 39 H ASN 39 6.039 6.731 30.498 303 HA ASN 39 HA ASN 39 6.269 4.261 28.956 304 HB2 ASN 39 HB3 ASN 39 6.877 4.375 31.922 305 HB3 ASN 39 HB2 ASN 39 6.744 2.908 30.956 306 HD21 ASN 39 HD21 ASN 39 9.074 4.668 32.343 307 HD22 ASN 39 HD22 ASN 39 10.306 4.547 31.182 308 H THR 40 H THR 40 4.577 2.723 29.497 309 HA THR 40 HA THR 40 2.230 4.040 30.735 310 HB THR 40 HB THR 40 2.311 1.783 28.704 311 HG1 THR 40 HG1 THR 40 2.282 3.312 27.281 312 HG21 THR 40 HG21 THR 40 -0.048 3.445 29.628 313 HG22 THR 40 HG22 THR 40 0.332 1.859 30.300 314 HG23 THR 40 HG23 THR 40 -0.082 2.017 28.592 315 H THR 41 H THR 41 1.657 3.295 32.653 316 HA THR 41 HA THR 41 2.308 0.498 33.385 317 HB THR 41 HB THR 41 2.137 2.833 35.299 318 HG1 THR 41 HG1 THR 41 4.037 3.325 34.603 319 HG21 THR 41 HG21 THR 41 1.777 0.652 36.324 320 HG22 THR 41 HG22 THR 41 3.379 1.241 36.767 321 HG23 THR 41 HG23 THR 41 3.208 0.007 35.519 322 H THR 42 H THR 42 0.070 3.205 33.762 323 HA THR 42 HA THR 42 -2.035 1.308 34.622 324 HB THR 42 HB THR 42 -1.900 4.267 35.243 325 HG1 THR 42 HG1 THR 42 -0.541 3.673 36.718 326 HG21 THR 42 HG21 THR 42 -4.140 2.988 35.204 327 HG22 THR 42 HG22 THR 42 -3.744 3.867 36.680 328 HG23 THR 42 HG23 THR 42 -3.520 2.122 36.610 329 H GLU 43 H GLU 43 -3.986 1.401 33.591 330 HA GLU 43 HA GLU 43 -4.114 3.059 31.154 331 HB2 GLU 43 HB3 GLU 43 -5.453 0.443 31.884 332 HB3 GLU 43 HB2 GLU 43 -5.873 1.387 30.453 333 HG2 GLU 43 HG3 GLU 43 -3.614 1.191 29.591 334 HG3 GLU 43 HG2 GLU 43 -3.071 0.414 31.072 335 H GLY 44 H GLY 44 -5.081 4.907 31.773 336 HA2 GLY 44 HA3 GLY 44 -7.765 4.682 32.985 337 HA3 GLY 44 HA2 GLY 44 -6.597 5.842 33.595 338 H ILE 45 H ILE 45 -6.150 7.696 32.470 339 HA ILE 45 HA ILE 45 -7.820 8.207 30.086 340 HB ILE 45 HB ILE 45 -7.362 10.065 32.434 341 HG12 ILE 45 HG13 ILE 45 -10.040 8.980 31.530 342 HG13 ILE 45 HG12 ILE 45 -9.025 8.008 32.588 343 HG21 ILE 45 HG21 ILE 45 -9.155 10.442 30.012 344 HG22 ILE 45 HG22 ILE 45 -7.546 11.156 30.149 345 HG23 ILE 45 HG23 ILE 45 -8.820 11.620 31.284 346 HD11 ILE 45 HD11 ILE 45 -9.097 9.571 34.325 347 HD12 ILE 45 HD12 ILE 45 -10.745 9.588 33.690 348 HD13 ILE 45 HD13 ILE 45 -9.623 10.879 33.261 349 H TYR 46 H TYR 46 -6.859 9.165 28.433 350 HA TYR 46 HA TYR 46 -4.022 9.641 28.478 351 HB2 TYR 46 HB3 TYR 46 -6.129 10.117 26.357 352 HB3 TYR 46 HB2 TYR 46 -4.407 10.379 26.103 353 HD1 TYR 46 HD1 TYR 46 -7.061 7.910 26.404 354 HD2 TYR 46 HD2 TYR 46 -2.816 8.480 26.211 355 HE1 TYR 46 HE1 TYR 46 -6.765 5.495 25.908 356 HE2 TYR 46 HE2 TYR 46 -2.510 6.066 25.713 357 HH TYR 46 HH TYR 46 -5.044 3.786 26.070 358 H SER 47 H SER 47 -2.961 11.629 28.459 359 HA SER 47 HA SER 47 -4.647 14.012 28.469 360 HB2 SER 47 HB3 SER 47 -3.342 14.965 30.362 361 HB3 SER 47 HB2 SER 47 -4.361 13.598 30.797 362 HG SER 47 HG SER 47 -2.159 13.515 31.598 363 H CYS 48 H CYS 48 -3.983 15.509 27.190 364 HA CYS 48 HA CYS 48 -1.823 15.412 25.456 365 HB2 CYS 48 HB3 CYS 48 -3.969 16.954 25.576 366 HB3 CYS 48 HB2 CYS 48 -2.906 18.045 26.430 367 H ARG 49 H ARG 49 0.304 15.789 25.718 368 HA ARG 49 HA ARG 49 1.469 16.306 28.234 369 HB2 ARG 49 HB3 ARG 49 2.658 15.178 26.367 370 HB3 ARG 49 HB2 ARG 49 2.676 16.695 25.476 371 HG2 ARG 49 HG3 ARG 49 4.831 16.461 26.542 372 HG3 ARG 49 HG2 ARG 49 3.952 17.719 27.407 373 HD2 ARG 49 HD3 ARG 49 3.336 16.128 29.163 374 HD3 ARG 49 HD2 ARG 49 4.114 14.818 28.280 375 HE ARG 49 HE ARG 49 6.052 16.786 28.654 376 HH11 ARG 49 HH11 ARG 49 4.081 14.711 30.679 377 HH12 ARG 49 HH12 ARG 49 5.249 14.656 31.956 378 HH21 ARG 49 HH21 ARG 49 7.541 16.686 30.338 379 HH22 ARG 49 HH22 ARG 49 7.191 15.765 31.762 380 H ALA 50 H ALA 50 0.538 18.370 25.564 381 HA ALA 50 HA ALA 50 1.844 20.750 26.261 382 HB1 ALA 50 HB1 ALA 50 0.672 21.647 24.517 383 HB2 ALA 50 HB2 ALA 50 -0.848 20.882 25.002 384 HB3 ALA 50 HB3 ALA 50 0.391 19.943 24.173 385 H CYS 51 H CYS 51 -1.520 19.774 26.969 386 HA CYS 51 HA CYS 51 -1.617 21.901 29.030 387 HB2 CYS 51 HB3 CYS 51 -4.194 21.692 28.529 388 HB3 CYS 51 HB2 CYS 51 -3.157 22.678 27.505 389 H GLY 52 H GLY 52 -2.634 18.628 28.215 390 HA2 GLY 52 HA3 GLY 52 -2.594 16.880 29.863 391 HA3 GLY 52 HA2 GLY 52 -2.992 18.076 31.090 392 H THR 53 H THR 53 -4.762 18.421 28.173 393 HA THR 53 HA THR 53 -7.285 17.999 29.408 394 HB THR 53 HB THR 53 -7.668 17.662 26.624 395 HG1 THR 53 HG1 THR 53 -6.146 18.673 25.643 396 HG21 THR 53 HG21 THR 53 -7.503 20.361 27.966 397 HG22 THR 53 HG22 THR 53 -8.806 19.229 28.329 398 HG23 THR 53 HG23 THR 53 -8.600 19.837 26.687 399 H GLU 54 H GLU 54 -8.858 16.319 29.102 400 HA GLU 54 HA GLU 54 -7.681 13.693 28.921 401 HB2 GLU 54 HB3 GLU 54 -10.592 14.480 29.185 402 HB3 GLU 54 HB2 GLU 54 -9.930 12.871 29.433 403 HG2 GLU 54 HG3 GLU 54 -8.450 14.004 31.233 404 HG3 GLU 54 HG2 GLU 54 -9.598 15.329 31.093 405 H LEU 55 H LEU 55 -6.920 14.292 26.692 406 HA LEU 55 HA LEU 55 -8.503 14.642 24.440 407 HB2 LEU 55 HB3 LEU 55 -5.826 13.461 25.031 408 HB3 LEU 55 HB2 LEU 55 -6.508 13.127 23.450 409 HG LEU 55 HG LEU 55 -6.527 15.433 22.844 410 HD11 LEU 55 HD11 LEU 55 -6.144 15.985 25.784 411 HD12 LEU 55 HD12 LEU 55 -7.423 16.577 24.732 412 HD13 LEU 55 HD13 LEU 55 -5.785 17.197 24.567 413 HD21 LEU 55 HD21 LEU 55 -4.064 14.912 24.513 414 HD22 LEU 55 HD22 LEU 55 -4.202 16.162 23.278 415 HD23 LEU 55 HD23 LEU 55 -4.287 14.458 22.823 416 H PHE 56 H PHE 56 -7.470 11.618 25.967 417 HA PHE 56 HA PHE 56 -9.739 10.239 24.734 418 HB2 PHE 56 HB3 PHE 56 -6.848 9.354 24.561 419 HB3 PHE 56 HB2 PHE 56 -8.211 8.285 24.234 420 HD1 PHE 56 HD1 PHE 56 -6.231 11.120 23.031 421 HD2 PHE 56 HD2 PHE 56 -9.724 8.724 22.322 422 HE1 PHE 56 HE1 PHE 56 -6.388 12.028 20.728 423 HE2 PHE 56 HE2 PHE 56 -9.881 9.632 20.020 424 HZ PHE 56 HZ PHE 56 -8.212 11.284 19.223 425 H ARG 57 H ARG 57 -10.063 8.039 25.738 426 HA ARG 57 HA ARG 57 -9.001 7.848 28.460 427 HB2 ARG 57 HB3 ARG 57 -11.225 7.464 29.409 428 HB3 ARG 57 HB2 ARG 57 -11.113 9.062 28.676 429 HG2 ARG 57 HG3 ARG 57 -12.179 8.117 26.607 430 HG3 ARG 57 HG2 ARG 57 -12.412 6.604 27.479 431 HD2 ARG 57 HD3 ARG 57 -13.511 9.300 28.324 432 HD3 ARG 57 HD2 ARG 57 -14.444 8.016 27.566 433 HE ARG 57 HE ARG 57 -13.277 6.880 29.817 434 HH11 ARG 57 HH11 ARG 57 -15.494 9.518 29.168 435 HH12 ARG 57 HH12 ARG 57 -16.303 9.362 30.691 436 HH21 ARG 57 HH21 ARG 57 -14.357 6.715 31.783 437 HH22 ARG 57 HH22 ARG 57 -15.664 7.788 32.159 438 H SER 58 H SER 58 -9.472 5.748 29.483 439 HA SER 58 HA SER 58 -8.719 3.648 27.720 440 HB2 SER 58 HB3 SER 58 -9.407 3.677 30.651 441 HB3 SER 58 HB2 SER 58 -8.837 2.244 29.799 442 HG SER 58 HG SER 58 -7.467 4.726 29.739 443 H THR 59 H THR 59 -11.823 4.805 28.261 444 HA THR 59 HA THR 59 -13.102 2.199 28.329 445 HB THR 59 HB THR 59 -14.001 4.358 29.427 446 HG1 THR 59 HG1 THR 59 -15.581 2.650 27.820 447 HG21 THR 59 HG21 THR 59 -14.985 5.996 28.188 448 HG22 THR 59 HG22 THR 59 -15.644 4.853 27.029 449 HG23 THR 59 HG23 THR 59 -13.976 5.398 26.872 450 H GLU 60 H GLU 60 -12.185 4.533 25.900 451 HA GLU 60 HA GLU 60 -13.518 2.895 23.822 452 HB2 GLU 60 HB3 GLU 60 -13.206 5.816 24.192 453 HB3 GLU 60 HB2 GLU 60 -12.895 5.258 22.554 454 HG2 GLU 60 HG3 GLU 60 -15.198 5.655 22.492 455 HG3 GLU 60 HG2 GLU 60 -15.149 3.935 22.871 456 H LYS 61 H LYS 61 -10.666 2.746 25.108 457 HA LYS 61 HA LYS 61 -8.959 3.297 22.824 458 HB2 LYS 61 HB3 LYS 61 -7.136 2.383 24.215 459 HB3 LYS 61 HB2 LYS 61 -8.040 3.638 25.060 460 HG2 LYS 61 HG3 LYS 61 -9.314 1.934 26.276 461 HG3 LYS 61 HG2 LYS 61 -8.486 0.653 25.397 462 HD2 LYS 61 HD3 LYS 61 -6.983 2.698 27.043 463 HD3 LYS 61 HD2 LYS 61 -7.584 1.196 27.742 464 HE2 LYS 61 HE3 LYS 61 -6.318 -0.073 26.004 465 HE3 LYS 61 HE2 LYS 61 -5.653 1.451 25.416 466 HZ1 LYS 61 HZ1 LYS 61 -4.416 1.748 27.310 467 HZ2 LYS 61 HZ2 LYS 61 -4.352 0.058 27.149 468 HZ3 LYS 61 HZ3 LYS 61 -5.417 0.767 28.266 469 H PHE 62 H PHE 62 -7.721 1.744 21.684 470 HA PHE 62 HA PHE 62 -8.539 -1.064 21.906 471 HB2 PHE 62 HB3 PHE 62 -10.063 0.035 20.243 472 HB3 PHE 62 HB2 PHE 62 -8.649 0.418 19.268 473 HD1 PHE 62 HD1 PHE 62 -10.525 -2.411 20.818 474 HD2 PHE 62 HD2 PHE 62 -7.696 -1.213 17.815 475 HE1 PHE 62 HE1 PHE 62 -10.597 -4.689 19.841 476 HE2 PHE 62 HE2 PHE 62 -7.770 -3.491 16.839 477 HZ PHE 62 HZ PHE 62 -9.219 -5.229 17.852 478 H ASN 63 H ASN 63 -6.940 -2.472 21.419 479 HA ASN 63 HA ASN 63 -4.860 -3.289 20.974 480 HB2 ASN 63 HB3 ASN 63 -4.879 -1.002 18.996 481 HB3 ASN 63 HB2 ASN 63 -3.540 -2.133 19.131 482 HD21 ASN 63 HD21 ASN 63 -5.162 -1.891 16.755 483 HD22 ASN 63 HD22 ASN 63 -5.996 -3.354 16.545 484 H SER 64 H SER 64 -3.985 0.146 20.514 485 HA SER 64 HA SER 64 -2.422 1.454 21.573 486 HB2 SER 64 HB3 SER 64 -3.463 -0.042 23.991 487 HB3 SER 64 HB2 SER 64 -2.513 1.441 24.043 488 HG SER 64 HG SER 64 -4.509 2.222 24.026 489 H HIS 65 H HIS 65 -1.496 -1.028 20.435 490 HA HIS 65 HA HIS 65 0.818 -1.594 22.197 491 HB2 HIS 65 HB3 HIS 65 -0.951 -3.474 21.715 492 HB3 HIS 65 HB2 HIS 65 -0.165 -3.559 20.141 493 HD1 HIS 65 HD1 HIS 65 -0.060 -5.502 22.903 494 HD2 HIS 65 HD2 HIS 65 2.981 -3.317 21.071 495 HE1 HIS 65 HE1 HIS 65 2.122 -6.563 23.627 496 HE2 HIS 65 HE2 HIS 65 3.986 -5.242 22.520 497 H CYS 66 H CYS 66 -0.314 -1.521 18.825 498 HA CYS 66 HA CYS 66 2.302 -1.576 17.682 499 HB2 CYS 66 HB3 CYS 66 1.184 -1.121 15.575 500 HB3 CYS 66 HB2 CYS 66 0.261 -2.320 16.478 501 HG CYS 66 HG CYS 66 -1.528 -0.555 17.006 502 H GLY 67 H GLY 67 2.967 0.222 16.120 503 HA2 GLY 67 HA3 GLY 67 3.617 2.536 17.585 504 HA3 GLY 67 HA2 GLY 67 3.824 2.337 15.849 505 H TRP 68 H TRP 68 1.100 1.948 15.148 506 HA TRP 68 HA TRP 68 -0.123 4.538 15.870 507 HB2 TRP 68 HB3 TRP 68 -0.010 3.277 13.113 508 HB3 TRP 68 HB2 TRP 68 -0.887 4.750 13.525 509 HD1 TRP 68 HD1 TRP 68 0.534 6.903 14.130 510 HE1 TRP 68 HE1 TRP 68 2.961 7.581 13.574 511 HE3 TRP 68 HE3 TRP 68 2.405 2.365 12.757 512 HZ2 TRP 68 HZ2 TRP 68 5.378 6.347 12.665 513 HZ3 TRP 68 HZ3 TRP 68 4.769 2.139 12.050 514 HH2 TRP 68 HH2 TRP 68 6.257 4.122 12.003 515 HA PRO 69 HA PRO 69 -3.208 1.080 16.481 516 HB2 PRO 69 HB3 PRO 69 -4.001 1.677 18.989 517 HB3 PRO 69 HB2 PRO 69 -2.505 0.774 18.675 518 HG2 PRO 69 HG3 PRO 69 -2.867 3.667 19.309 519 HG3 PRO 69 HG2 PRO 69 -1.670 2.520 19.933 520 HD2 PRO 69 HD3 PRO 69 -1.129 4.307 17.922 521 HD3 PRO 69 HD2 PRO 69 -0.294 2.751 18.094 522 H SER 70 H SER 70 -5.536 1.194 16.633 523 HA SER 70 HA SER 70 -6.588 3.835 15.902 524 HB2 SER 70 HB3 SER 70 -7.869 1.107 15.707 525 HB3 SER 70 HB2 SER 70 -8.576 2.610 15.137 526 HG SER 70 HG SER 70 -6.588 1.049 14.048 527 H PHE 71 H PHE 71 -8.446 4.700 16.900 528 HA PHE 71 HA PHE 71 -9.177 3.533 19.516 529 HB2 PHE 71 HB3 PHE 71 -8.629 6.457 18.946 530 HB3 PHE 71 HB2 PHE 71 -9.243 5.815 20.463 531 HD1 PHE 71 HD1 PHE 71 -6.316 6.058 18.239 532 HD2 PHE 71 HD2 PHE 71 -7.805 4.550 21.970 533 HE1 PHE 71 HE1 PHE 71 -3.992 5.622 18.991 534 HE2 PHE 71 HE2 PHE 71 -5.485 4.109 22.723 535 HZ PHE 71 HZ PHE 71 -3.578 4.646 21.233 536 H PHE 72 H PHE 72 -11.252 4.452 20.344 537 HA PHE 72 HA PHE 72 -13.146 4.791 18.117 538 HB2 PHE 72 HB3 PHE 72 -13.752 4.159 21.022 539 HB3 PHE 72 HB2 PHE 72 -14.892 4.132 19.687 540 HD1 PHE 72 HD1 PHE 72 -12.831 2.108 21.689 541 HD2 PHE 72 HD2 PHE 72 -14.088 2.607 17.610 542 HE1 PHE 72 HE1 PHE 72 -12.240 -0.252 21.215 543 HE2 PHE 72 HE2 PHE 72 -13.494 0.247 17.141 544 HZ PHE 72 HZ PHE 72 -12.572 -1.183 18.942 545 H SER 73 H SER 73 -15.222 6.066 19.580 546 HA SER 73 HA SER 73 -14.759 8.738 19.164 547 HB2 SER 73 HB3 SER 73 -16.962 7.633 19.639 548 HB3 SER 73 HB2 SER 73 -16.534 7.645 21.340 549 HG SER 73 HG SER 73 -16.649 9.921 19.646 550 HA PRO 74 HA PRO 74 -12.045 9.875 22.590 551 HB2 PRO 74 HB3 PRO 74 -12.212 12.585 22.453 552 HB3 PRO 74 HB2 PRO 74 -11.320 11.625 21.254 553 HG2 PRO 74 HG3 PRO 74 -14.069 12.774 21.083 554 HG3 PRO 74 HG2 PRO 74 -12.775 12.772 19.872 555 HD2 PRO 74 HD3 PRO 74 -14.841 11.008 19.799 556 HD3 PRO 74 HD2 PRO 74 -13.214 10.594 19.216 557 H LEU 75 H LEU 75 -12.237 11.832 24.387 558 HA LEU 75 HA LEU 75 -13.883 11.101 26.414 559 HB2 LEU 75 HB3 LEU 75 -12.375 13.481 25.683 560 HB3 LEU 75 HB2 LEU 75 -13.834 13.942 26.540 561 HG LEU 75 HG LEU 75 -11.825 13.630 27.968 562 HD11 LEU 75 HD11 LEU 75 -14.284 13.298 28.693 563 HD12 LEU 75 HD12 LEU 75 -12.970 12.855 29.784 564 HD13 LEU 75 HD13 LEU 75 -13.816 11.603 28.861 565 HD21 LEU 75 HD21 LEU 75 -12.157 10.669 27.477 566 HD22 LEU 75 HD22 LEU 75 -10.965 11.444 28.513 567 HD23 LEU 75 HD23 LEU 75 -10.877 11.651 26.767 568 H ALA 76 H ALA 76 -14.700 13.872 24.314 569 HA ALA 76 HA ALA 76 -17.409 13.049 23.902 570 HB1 ALA 76 HB1 ALA 76 -17.999 13.665 26.053 571 HB2 ALA 76 HB2 ALA 76 -18.284 15.171 25.181 572 HB3 ALA 76 HB3 ALA 76 -16.807 14.963 26.122 573 H GLY 77 H GLY 77 -14.907 14.364 22.641 574 HA2 GLY 77 HA3 GLY 77 -14.584 15.690 20.776 575 HA3 GLY 77 HA2 GLY 77 -16.317 15.996 20.750 576 H ASP 78 H ASP 78 -14.985 16.672 23.799 577 HA ASP 78 HA ASP 78 -15.130 19.557 23.286 578 HB2 ASP 78 HB3 ASP 78 -15.198 17.920 25.817 579 HB3 ASP 78 HB2 ASP 78 -15.129 19.674 25.795 580 H LYS 79 H LYS 79 -12.918 17.035 24.271 581 HA LYS 79 HA LYS 79 -10.845 18.962 25.025 582 HB2 LYS 79 HB3 LYS 79 -10.286 16.011 24.845 583 HB3 LYS 79 HB2 LYS 79 -9.631 17.212 25.957 584 HG2 LYS 79 HG3 LYS 79 -12.501 16.199 26.032 585 HG3 LYS 79 HG2 LYS 79 -11.211 15.608 27.067 586 HD2 LYS 79 HD3 LYS 79 -10.950 17.791 28.093 587 HD3 LYS 79 HD2 LYS 79 -12.112 18.497 26.966 588 HE2 LYS 79 HE3 LYS 79 -13.884 17.058 27.843 589 HE3 LYS 79 HE2 LYS 79 -12.743 16.273 28.929 590 HZ1 LYS 79 HZ1 LYS 79 -13.837 19.003 29.029 591 HZ2 LYS 79 HZ2 LYS 79 -12.315 18.691 29.716 592 HZ3 LYS 79 HZ3 LYS 79 -13.689 17.864 30.276 593 H VAL 80 H VAL 80 -11.871 17.141 22.301 594 HA VAL 80 HA VAL 80 -9.468 17.979 20.811 595 HB VAL 80 HB VAL 80 -9.462 15.811 19.600 596 HG11 VAL 80 HG11 VAL 80 -7.900 16.011 21.396 597 HG12 VAL 80 HG12 VAL 80 -8.649 14.420 21.568 598 HG13 VAL 80 HG13 VAL 80 -9.157 15.753 22.608 599 HG21 VAL 80 HG21 VAL 80 -10.708 13.898 20.720 600 HG22 VAL 80 HG22 VAL 80 -11.738 15.060 19.881 601 HG23 VAL 80 HG23 VAL 80 -11.599 15.114 21.638 602 H ILE 81 H ILE 81 -9.793 18.448 18.631 603 HA ILE 81 HA ILE 81 -12.607 18.454 17.706 604 HB ILE 81 HB ILE 81 -10.571 20.650 17.803 605 HG12 ILE 81 HG13 ILE 81 -12.590 22.048 18.072 606 HG13 ILE 81 HG12 ILE 81 -13.609 20.648 17.761 607 HG21 ILE 81 HG21 ILE 81 -11.573 21.857 15.889 608 HG22 ILE 81 HG22 ILE 81 -12.534 20.431 15.498 609 HG23 ILE 81 HG23 ILE 81 -10.775 20.372 15.365 610 HD11 ILE 81 HD11 ILE 81 -13.238 19.745 19.840 611 HD12 ILE 81 HD12 ILE 81 -12.983 21.441 20.254 612 HD13 ILE 81 HD13 ILE 81 -11.601 20.389 19.953 613 H GLU 82 H GLU 82 -12.977 17.676 15.722 614 HA GLU 82 HA GLU 82 -10.674 16.999 14.000 615 HB2 GLU 82 HB3 GLU 82 -12.096 14.917 13.334 616 HB3 GLU 82 HB2 GLU 82 -11.135 14.856 14.806 617 HG2 GLU 82 HG3 GLU 82 -13.001 15.005 16.193 618 HG3 GLU 82 HG2 GLU 82 -13.992 15.789 14.962 619 H ARG 83 H ARG 83 -10.868 17.679 11.986 620 HA ARG 83 HA ARG 83 -13.508 18.018 10.766 621 HB2 ARG 83 HB3 ARG 83 -13.007 20.337 10.073 622 HB3 ARG 83 HB2 ARG 83 -13.092 20.183 11.826 623 HG2 ARG 83 HG3 ARG 83 -10.626 20.067 11.941 624 HG3 ARG 83 HG2 ARG 83 -10.537 20.218 10.185 625 HD2 ARG 83 HD3 ARG 83 -11.823 22.270 12.005 626 HD3 ARG 83 HD2 ARG 83 -10.176 22.387 11.393 627 HE ARG 83 HE ARG 83 -11.831 22.013 9.178 628 HH11 ARG 83 HH11 ARG 83 -11.399 24.420 11.690 629 HH12 ARG 83 HH12 ARG 83 -11.943 25.727 10.691 630 HH21 ARG 83 HH21 ARG 83 -12.533 23.740 7.917 631 HH22 ARG 83 HH22 ARG 83 -12.580 25.342 8.573 632 H THR 84 H THR 84 -13.450 18.223 8.465 633 HA THR 84 HA THR 84 -11.286 16.743 7.274 634 HB THR 84 HB THR 84 -13.750 16.479 6.734 635 HG1 THR 84 HG1 THR 84 -11.946 15.776 5.422 636 HG21 THR 84 HG21 THR 84 -13.273 18.955 5.055 637 HG22 THR 84 HG22 THR 84 -14.253 18.918 6.522 638 HG23 THR 84 HG23 THR 84 -14.748 17.988 5.107 639 H ASP 85 H ASP 85 -9.842 17.423 5.695 640 HA ASP 85 HA ASP 85 -9.655 20.327 5.190 641 HB2 ASP 85 HB3 ASP 85 -8.080 19.670 6.988 642 HB3 ASP 85 HB2 ASP 85 -7.355 18.487 5.907 643 H THR 86 H THR 86 -9.836 20.594 3.058 644 HA THR 86 HA THR 86 -9.186 18.554 1.136 645 HB THR 86 HB THR 86 -9.903 21.429 0.530 646 HG1 THR 86 HG1 THR 86 -11.480 20.683 1.911 647 HG21 THR 86 HG21 THR 86 -9.115 19.796 -1.265 648 HG22 THR 86 HG22 THR 86 -10.684 20.550 -1.546 649 HG23 THR 86 HG23 THR 86 -10.598 18.891 -0.956 650 H SER 87 H SER 87 -6.990 18.427 1.831 651 HA SER 87 HA SER 87 -5.090 20.479 1.686 652 HB2 SER 87 HB3 SER 87 -4.619 18.340 2.758 653 HB3 SER 87 HB2 SER 87 -4.708 17.518 1.203 654 HG SER 87 HG SER 87 -2.745 19.194 2.254 655 H HIS 88 H HIS 88 -5.900 18.059 -0.870 656 HA HIS 88 HA HIS 88 -5.585 19.913 -2.983 657 HB2 HIS 88 HB3 HIS 88 -3.162 19.674 -2.222 658 HB3 HIS 88 HB2 HIS 88 -3.240 18.013 -2.804 659 HD1 HIS 88 HD1 HIS 88 -3.767 17.708 -5.409 660 HD2 HIS 88 HD2 HIS 88 -2.836 21.596 -4.230 661 HE1 HIS 88 HE1 HIS 88 -3.249 18.994 -7.528 662 HE2 HIS 88 HE2 HIS 88 -2.678 21.366 -6.826 663 H GLY 89 H GLY 89 -7.493 18.881 -3.653 664 HA2 GLY 89 HA3 GLY 89 -8.531 17.541 -5.253 665 HA3 GLY 89 HA2 GLY 89 -7.073 16.563 -5.347 666 H MET 90 H MET 90 -7.439 16.604 -2.188 667 HA MET 90 HA MET 90 -9.621 14.710 -1.895 668 HB2 MET 90 HB3 MET 90 -8.180 12.966 -1.003 669 HB3 MET 90 HB2 MET 90 -7.629 13.430 -2.612 670 HG2 MET 90 HG3 MET 90 -5.867 14.835 -1.651 671 HG3 MET 90 HG2 MET 90 -6.416 14.432 -0.023 672 HE1 MET 90 HE1 MET 90 -6.306 12.442 1.108 673 HE2 MET 90 HE2 MET 90 -5.471 10.949 0.684 674 HE3 MET 90 HE3 MET 90 -7.048 11.300 -0.020 675 H VAL 91 H VAL 91 -10.074 14.274 0.414 676 HA VAL 91 HA VAL 91 -9.086 16.482 2.106 677 HB VAL 91 HB VAL 91 -11.202 16.376 3.324 678 HG11 VAL 91 HG11 VAL 91 -11.292 16.791 0.340 679 HG12 VAL 91 HG12 VAL 91 -11.148 18.000 1.612 680 HG13 VAL 91 HG13 VAL 91 -12.673 17.157 1.376 681 HG21 VAL 91 HG21 VAL 91 -13.024 15.006 2.622 682 HG22 VAL 91 HG22 VAL 91 -11.625 13.937 2.738 683 HG23 VAL 91 HG23 VAL 91 -12.171 14.506 1.160 684 H ARG 92 H ARG 92 -8.798 16.142 4.313 685 HA ARG 92 HA ARG 92 -8.593 13.355 5.247 686 HB2 ARG 92 HB3 ARG 92 -6.404 15.447 5.431 687 HB3 ARG 92 HB2 ARG 92 -6.371 13.882 6.231 688 HG2 ARG 92 HG3 ARG 92 -6.695 14.151 3.237 689 HG3 ARG 92 HG2 ARG 92 -5.111 14.041 4.005 690 HD2 ARG 92 HD3 ARG 92 -7.323 11.991 4.339 691 HD3 ARG 92 HD2 ARG 92 -5.973 11.829 3.221 692 HE ARG 92 HE ARG 92 -4.849 12.322 5.714 693 HH11 ARG 92 HH11 ARG 92 -6.898 9.856 4.295 694 HH12 ARG 92 HH12 ARG 92 -6.317 8.607 5.345 695 HH21 ARG 92 HH21 ARG 92 -4.123 10.668 7.055 696 HH22 ARG 92 HH22 ARG 92 -4.759 9.065 6.894 697 H THR 93 H THR 93 -8.829 13.168 7.567 698 HA THR 93 HA THR 93 -9.991 15.601 8.763 699 HB THR 93 HB THR 93 -10.185 12.755 9.775 700 HG1 THR 93 HG1 THR 93 -11.528 12.534 8.187 701 HG21 THR 93 HG21 THR 93 -12.167 13.732 10.978 702 HG22 THR 93 HG22 THR 93 -11.662 15.324 10.410 703 HG23 THR 93 HG23 THR 93 -10.622 14.405 11.498 704 H GLU 94 H GLU 94 -8.507 16.757 9.774 705 HA GLU 94 HA GLU 94 -6.243 15.486 11.086 706 HB2 GLU 94 HB3 GLU 94 -7.011 18.404 10.815 707 HB3 GLU 94 HB2 GLU 94 -5.510 17.812 11.526 708 HG2 GLU 94 HG3 GLU 94 -4.937 16.712 9.385 709 HG3 GLU 94 HG2 GLU 94 -6.426 17.332 8.674 710 H VAL 95 H VAL 95 -6.268 14.883 13.120 711 HA VAL 95 HA VAL 95 -8.414 15.760 14.889 712 HB VAL 95 HB VAL 95 -6.168 13.756 15.327 713 HG11 VAL 95 HG11 VAL 95 -7.744 13.048 17.248 714 HG12 VAL 95 HG12 VAL 95 -8.513 14.625 17.037 715 HG13 VAL 95 HG13 VAL 95 -6.808 14.525 17.483 716 HG21 VAL 95 HG21 VAL 95 -7.796 13.026 13.627 717 HG22 VAL 95 HG22 VAL 95 -9.125 13.386 14.729 718 HG23 VAL 95 HG23 VAL 95 -7.997 12.082 15.105 719 H ILE 96 H ILE 96 -8.169 17.432 16.158 720 HA ILE 96 HA ILE 96 -5.473 18.278 16.997 721 HB ILE 96 HB ILE 96 -6.238 20.605 16.884 722 HG12 ILE 96 HG13 ILE 96 -8.625 19.682 15.269 723 HG13 ILE 96 HG12 ILE 96 -8.749 19.860 17.017 724 HG21 ILE 96 HG21 ILE 96 -4.994 19.964 15.020 725 HG22 ILE 96 HG22 ILE 96 -6.442 20.658 14.300 726 HG23 ILE 96 HG23 ILE 96 -6.257 18.902 14.395 727 HD11 ILE 96 HD11 ILE 96 -9.343 21.983 16.405 728 HD12 ILE 96 HD12 ILE 96 -8.389 21.944 14.923 729 HD13 ILE 96 HD13 ILE 96 -7.598 22.215 16.477 730 H CYS 97 H CYS 97 -5.438 19.535 18.952 731 HA CYS 97 HA CYS 97 -7.287 18.486 20.951 732 HB2 CYS 97 HB3 CYS 97 -4.813 18.755 21.266 733 HB3 CYS 97 HB2 CYS 97 -5.047 20.487 21.286 734 H ALA 98 H ALA 98 -8.952 19.613 21.832 735 HA ALA 98 HA ALA 98 -10.106 21.763 20.484 736 HB1 ALA 98 HB1 ALA 98 -10.579 21.021 23.374 737 HB2 ALA 98 HB2 ALA 98 -11.286 20.166 22.001 738 HB3 ALA 98 HB3 ALA 98 -11.693 21.858 22.292 739 H ASN 99 H ASN 99 -7.596 21.809 22.873 740 HA ASN 99 HA ASN 99 -8.012 24.697 23.356 741 HB2 ASN 99 HB3 ASN 99 -6.354 24.341 25.207 742 HB3 ASN 99 HB2 ASN 99 -7.861 23.460 25.364 743 HD21 ASN 99 HD21 ASN 99 -7.592 21.352 25.990 744 HD22 ASN 99 HD22 ASN 99 -6.253 20.389 25.607 745 H CYS 100 H CYS 100 -5.702 22.368 22.127 746 HA CYS 100 HA CYS 100 -4.090 24.625 21.092 747 HB2 CYS 100 HB3 CYS 100 -2.017 23.359 21.534 748 HB3 CYS 100 HB2 CYS 100 -2.889 23.763 23.008 749 H GLU 101 H GLU 101 -2.645 24.002 19.270 750 HA GLU 101 HA GLU 101 -4.224 22.552 17.340 751 HB2 GLU 101 HB3 GLU 101 -1.728 24.222 17.220 752 HB3 GLU 101 HB2 GLU 101 -2.169 23.209 15.846 753 HG2 GLU 101 HG3 GLU 101 -4.386 24.286 15.757 754 HG3 GLU 101 HG2 GLU 101 -3.951 25.301 17.133 755 H SER 102 H SER 102 -4.006 20.499 18.568 756 HA SER 102 HA SER 102 -1.493 19.064 18.206 757 HB2 SER 102 HB3 SER 102 -4.130 18.153 19.374 758 HB3 SER 102 HB2 SER 102 -2.650 17.205 19.343 759 HG SER 102 HG SER 102 -2.488 18.188 21.243 760 H HIS 103 H HIS 103 -2.301 19.881 15.819 761 HA HIS 103 HA HIS 103 -3.963 18.002 14.407 762 HB2 HIS 103 HB3 HIS 103 -2.806 19.106 12.341 763 HB3 HIS 103 HB2 HIS 103 -3.926 20.063 13.293 764 HD1 HIS 103 HD1 HIS 103 -2.807 22.317 12.752 765 HD2 HIS 103 HD2 HIS 103 -0.191 19.577 14.496 766 HE1 HIS 103 HE1 HIS 103 -0.725 23.612 13.381 767 HE2 HIS 103 HE2 HIS 103 0.872 21.953 14.450 768 H LEU 104 H LEU 104 -1.488 17.017 15.897 769 HA LEU 104 HA LEU 104 0.346 16.069 13.931 770 HB2 LEU 104 HB3 LEU 104 1.266 14.743 15.788 771 HB3 LEU 104 HB2 LEU 104 1.005 16.426 16.228 772 HG LEU 104 HG LEU 104 -1.379 15.457 17.048 773 HD11 LEU 104 HD11 LEU 104 -0.928 13.240 18.186 774 HD12 LEU 104 HD12 LEU 104 0.551 13.120 17.235 775 HD13 LEU 104 HD13 LEU 104 -1.014 13.140 16.431 776 HD21 LEU 104 HD21 LEU 104 -0.461 15.344 19.308 777 HD22 LEU 104 HD22 LEU 104 0.313 16.665 18.431 778 HD23 LEU 104 HD23 LEU 104 1.170 15.141 18.667 779 H GLY 105 H GLY 105 -2.681 14.893 15.241 780 HA2 GLY 105 HA3 GLY 105 -2.257 12.264 13.977 781 HA3 GLY 105 HA2 GLY 105 -3.461 12.646 15.185 782 H HIS 106 H HIS 106 -4.468 11.293 13.325 783 HA HIS 106 HA HIS 106 -6.261 13.047 11.862 784 HB2 HIS 106 HB3 HIS 106 -4.578 12.844 10.170 785 HB3 HIS 106 HB2 HIS 106 -4.362 11.132 10.482 786 HD1 HIS 106 HD1 HIS 106 -6.433 9.571 9.750 787 HD2 HIS 106 HD2 HIS 106 -6.438 13.443 8.188 788 HE1 HIS 106 HE1 HIS 106 -7.977 9.532 7.745 789 HE2 HIS 106 HE2 HIS 106 -7.975 11.874 6.769 790 H VAL 107 H VAL 107 -8.130 11.822 11.074 791 HA VAL 107 HA VAL 107 -8.420 9.147 12.280 792 HB VAL 107 HB VAL 107 -9.393 10.815 13.797 793 HG11 VAL 107 HG11 VAL 107 -9.922 12.437 11.891 794 HG12 VAL 107 HG12 VAL 107 -11.117 12.308 13.185 795 HG13 VAL 107 HG13 VAL 107 -11.390 11.490 11.646 796 HG21 VAL 107 HG21 VAL 107 -10.475 8.674 13.809 797 HG22 VAL 107 HG22 VAL 107 -11.342 9.037 12.316 798 HG23 VAL 107 HG23 VAL 107 -11.759 9.883 13.807 799 H PHE 108 H PHE 108 -9.594 7.701 11.105 800 HA PHE 108 HA PHE 108 -10.799 8.661 8.574 801 HB2 PHE 108 HB3 PHE 108 -8.546 7.673 8.194 802 HB3 PHE 108 HB2 PHE 108 -9.111 6.167 8.911 803 HD1 PHE 108 HD1 PHE 108 -9.837 8.599 6.165 804 HD2 PHE 108 HD2 PHE 108 -10.241 4.563 7.579 805 HE1 PHE 108 HE1 PHE 108 -10.762 7.922 3.967 806 HE2 PHE 108 HE2 PHE 108 -11.168 3.886 5.381 807 HZ PHE 108 HZ PHE 108 -11.428 5.565 3.575 808 H ALA 109 H ALA 109 -12.814 8.032 8.288 809 HA ALA 109 HA ALA 109 -14.112 6.236 10.138 810 HB1 ALA 109 HB1 ALA 109 -15.449 8.063 9.477 811 HB2 ALA 109 HB2 ALA 109 -16.100 6.701 8.566 812 HB3 ALA 109 HB3 ALA 109 -15.034 7.862 7.775 813 H GLY 110 H GLY 110 -15.736 4.616 9.082 814 HA2 GLY 110 HA3 GLY 110 -16.120 2.728 7.801 815 HA3 GLY 110 HA2 GLY 110 -14.896 3.299 6.673 816 H GLU 111 H GLU 111 -14.494 2.702 10.138 817 HA GLU 111 HA GLU 111 -12.100 1.191 9.742 818 HB2 GLU 111 HB3 GLU 111 -12.662 2.612 11.762 819 HB3 GLU 111 HB2 GLU 111 -13.761 1.327 12.263 820 HG2 GLU 111 HG3 GLU 111 -11.875 -0.279 12.212 821 HG3 GLU 111 HG2 GLU 111 -10.786 1.025 11.764 822 H GLY 112 H GLY 112 -15.485 0.349 10.153 823 HA2 GLY 112 HA3 GLY 112 -16.553 -1.650 9.682 824 HA3 GLY 112 HA2 GLY 112 -14.990 -2.360 9.313 825 H TYR 113 H TYR 113 -15.306 -0.832 12.417 826 HA TYR 113 HA TYR 113 -15.186 -3.477 13.687 827 HB2 TYR 113 HB3 TYR 113 -14.265 -0.744 14.424 828 HB3 TYR 113 HB2 TYR 113 -14.783 -1.775 15.756 829 HD1 TYR 113 HD1 TYR 113 -12.692 -1.975 12.630 830 HD2 TYR 113 HD2 TYR 113 -13.185 -3.190 16.720 831 HE1 TYR 113 HE1 TYR 113 -10.523 -3.171 12.536 832 HE2 TYR 113 HE2 TYR 113 -11.018 -4.388 16.625 833 HH TYR 113 HH TYR 113 -9.482 -5.294 15.091 834 H ASP 114 H ASP 114 -17.685 -1.862 12.716 835 HA ASP 114 HA ASP 114 -19.862 -1.632 13.372 836 HB2 ASP 114 HB3 ASP 114 -19.377 -4.117 13.697 837 HB3 ASP 114 HB2 ASP 114 -19.224 -3.762 15.414 838 H THR 115 H THR 115 -18.314 0.325 14.457 839 HA THR 115 HA THR 115 -19.098 0.546 17.269 840 HB THR 115 HB THR 115 -17.560 2.725 16.912 841 HG1 THR 115 HG1 THR 115 -15.805 1.980 15.527 842 HG21 THR 115 HG21 THR 115 -16.285 1.643 18.395 843 HG22 THR 115 HG22 THR 115 -15.734 0.515 17.156 844 HG23 THR 115 HG23 THR 115 -17.191 0.163 18.077 845 HA PRO 116 HA PRO 116 -22.193 3.572 16.492 846 HB2 PRO 116 HB3 PRO 116 -21.726 5.459 18.446 847 HB3 PRO 116 HB2 PRO 116 -22.501 3.890 18.740 848 HG2 PRO 116 HG3 PRO 116 -19.679 4.723 19.214 849 HG3 PRO 116 HG2 PRO 116 -20.741 3.705 20.204 850 HD2 PRO 116 HD3 PRO 116 -18.805 2.677 18.602 851 HD3 PRO 116 HD2 PRO 116 -20.315 1.806 18.919 852 H THR 117 H THR 117 -18.874 4.679 16.635 853 HA THR 117 HA THR 117 -19.555 7.099 15.075 854 HB THR 117 HB THR 117 -17.325 7.919 15.685 855 HG1 THR 117 HG1 THR 117 -15.903 6.652 16.604 856 HG21 THR 117 HG21 THR 117 -18.482 6.869 18.251 857 HG22 THR 117 HG22 THR 117 -19.401 8.030 17.288 858 HG23 THR 117 HG23 THR 117 -17.807 8.460 17.907 859 H ASP 118 H ASP 118 -17.866 4.053 14.978 860 HA ASP 118 HA ASP 118 -16.667 2.969 13.347 861 HB2 ASP 118 HB3 ASP 118 -18.962 3.434 12.274 862 HB3 ASP 118 HB2 ASP 118 -18.139 4.707 11.373 863 H LEU 119 H LEU 119 -15.336 5.119 14.516 864 HA LEU 119 HA LEU 119 -13.883 6.401 12.285 865 HB2 LEU 119 HB3 LEU 119 -14.113 7.143 15.206 866 HB3 LEU 119 HB2 LEU 119 -13.009 7.928 14.081 867 HG LEU 119 HG LEU 119 -15.994 7.755 13.592 868 HD11 LEU 119 HD11 LEU 119 -15.348 8.996 15.720 869 HD12 LEU 119 HD12 LEU 119 -16.194 9.970 14.515 870 HD13 LEU 119 HD13 LEU 119 -14.446 10.114 14.696 871 HD21 LEU 119 HD21 LEU 119 -14.755 8.220 11.574 872 HD22 LEU 119 HD22 LEU 119 -13.703 9.362 12.409 873 HD23 LEU 119 HD23 LEU 119 -15.398 9.766 12.130 874 H ARG 120 H ARG 120 -11.661 6.321 12.184 875 HA ARG 120 HA ARG 120 -10.330 4.399 13.999 876 HB2 ARG 120 HB3 ARG 120 -10.740 3.566 11.629 877 HB3 ARG 120 HB2 ARG 120 -9.626 4.822 11.088 878 HG2 ARG 120 HG3 ARG 120 -7.864 3.891 12.548 879 HG3 ARG 120 HG2 ARG 120 -8.977 2.630 13.080 880 HD2 ARG 120 HD3 ARG 120 -9.206 1.895 10.701 881 HD3 ARG 120 HD2 ARG 120 -7.982 3.077 10.253 882 HE ARG 120 HE ARG 120 -7.542 0.551 11.619 883 HH11 ARG 120 HH11 ARG 120 -6.215 3.711 10.881 884 HH12 ARG 120 HH12 ARG 120 -4.579 3.211 11.155 885 HH21 ARG 120 HH21 ARG 120 -5.408 -0.052 11.963 886 HH22 ARG 120 HH22 ARG 120 -4.127 1.098 11.763 887 H TYR 121 H TYR 121 -9.789 6.294 15.288 888 HA TYR 121 HA TYR 121 -8.232 8.457 14.268 889 HB2 TYR 121 HB3 TYR 121 -8.404 7.375 17.093 890 HB3 TYR 121 HB2 TYR 121 -7.735 8.932 16.633 891 HD1 TYR 121 HD1 TYR 121 -10.791 6.979 17.116 892 HD2 TYR 121 HD2 TYR 121 -9.211 10.765 15.879 893 HE1 TYR 121 HE1 TYR 121 -13.047 7.972 17.327 894 HE2 TYR 121 HE2 TYR 121 -11.471 11.769 16.077 895 HH TYR 121 HH TYR 121 -13.574 11.331 17.296 896 H CYS 122 H CYS 122 -6.151 8.363 13.629 897 HA CYS 122 HA CYS 122 -4.441 6.202 14.704 898 HB2 CYS 122 HB3 CYS 122 -3.026 6.613 12.668 899 HB3 CYS 122 HB2 CYS 122 -4.640 6.006 12.302 900 HG CYS 122 HG CYS 122 -3.557 8.746 11.513 901 H ILE 123 H ILE 123 -3.900 7.317 16.571 902 HA ILE 123 HA ILE 123 -2.224 9.730 16.173 903 HB ILE 123 HB ILE 123 -3.473 9.061 18.830 904 HG12 ILE 123 HG13 ILE 123 -5.396 9.091 17.297 905 HG13 ILE 123 HG12 ILE 123 -5.410 10.504 18.337 906 HG21 ILE 123 HG21 ILE 123 -3.208 11.430 19.231 907 HG22 ILE 123 HG22 ILE 123 -2.803 11.720 17.537 908 HG23 ILE 123 HG23 ILE 123 -1.695 10.809 18.569 909 HD11 ILE 123 HD11 ILE 123 -4.176 10.669 15.592 910 HD12 ILE 123 HD12 ILE 123 -4.865 11.961 16.576 911 HD13 ILE 123 HD13 ILE 123 -5.925 10.789 15.786 912 H ASN 124 H ASN 124 -0.218 9.692 16.979 913 HA ASN 124 HA ASN 124 0.707 7.166 18.180 914 HB2 ASN 124 HB3 ASN 124 1.785 8.609 16.122 915 HB3 ASN 124 HB2 ASN 124 2.718 9.220 17.485 916 HD21 ASN 124 HD21 ASN 124 3.735 7.485 15.317 917 HD22 ASN 124 HD22 ASN 124 4.273 6.058 16.059 918 H SER 125 H SER 125 2.468 7.401 19.854 919 HA SER 125 HA SER 125 1.590 9.392 21.831 920 HB2 SER 125 HB3 SER 125 3.146 6.817 22.135 921 HB3 SER 125 HB2 SER 125 2.779 7.918 23.461 922 HG SER 125 HG SER 125 0.726 7.345 23.380 923 H VAL 126 H VAL 126 2.770 11.124 20.790 924 HA VAL 126 HA VAL 126 5.662 11.010 20.725 925 HB VAL 126 HB VAL 126 4.296 12.330 19.067 926 HG11 VAL 126 HG11 VAL 126 3.168 14.282 19.605 927 HG12 VAL 126 HG12 VAL 126 4.123 14.574 21.062 928 HG13 VAL 126 HG13 VAL 126 2.857 13.340 21.063 929 HG21 VAL 126 HG21 VAL 126 6.767 12.672 19.644 930 HG22 VAL 126 HG22 VAL 126 6.246 14.067 20.589 931 HG23 VAL 126 HG23 VAL 126 5.955 14.020 18.852 932 H CYS 127 H CYS 127 5.040 10.278 23.180 933 HA CYS 127 HA CYS 127 5.595 10.655 25.369 934 HB2 CYS 127 HB3 CYS 127 7.452 12.110 24.408 935 HB3 CYS 127 HB2 CYS 127 6.378 13.489 24.645 936 HG CYS 127 HG CYS 127 8.042 12.388 26.793 937 H LEU 128 H LEU 128 3.113 10.558 24.997 938 HA LEU 128 HA LEU 128 1.695 12.975 25.843 939 HB2 LEU 128 HB3 LEU 128 0.651 11.649 24.102 940 HB3 LEU 128 HB2 LEU 128 0.765 10.187 25.070 941 HG LEU 128 HG LEU 128 -0.735 12.492 26.299 942 HD11 LEU 128 HD11 LEU 128 -2.033 10.751 24.193 943 HD12 LEU 128 HD12 LEU 128 -1.479 12.397 23.884 944 HD13 LEU 128 HD13 LEU 128 -2.751 12.103 25.070 945 HD21 LEU 128 HD21 LEU 128 -0.544 10.381 27.516 946 HD22 LEU 128 HD22 LEU 128 -1.156 9.487 26.130 947 HD23 LEU 128 HD23 LEU 128 -2.217 10.589 27.005 948 H THR 129 H THR 129 0.465 13.045 27.794 949 HA THR 129 HA THR 129 1.746 11.571 29.968 950 HB THR 129 HB THR 129 -0.263 13.840 30.027 951 HG1 THR 129 HG1 THR 129 2.534 13.805 30.464 952 HG21 THR 129 HG21 THR 129 1.531 12.819 32.248 953 HG22 THR 129 HG22 THR 129 -0.171 12.380 32.097 954 HG23 THR 129 HG23 THR 129 0.285 14.062 32.369 955 H LEU 130 H LEU 130 0.877 9.952 31.077 956 HA LEU 130 HA LEU 130 -1.868 9.105 30.424 957 HB2 LEU 130 HB3 LEU 130 -0.293 7.379 29.951 958 HB3 LEU 130 HB2 LEU 130 0.563 7.640 31.453 959 HG LEU 130 HG LEU 130 -0.924 5.529 31.236 960 HD11 LEU 130 HD11 LEU 130 -1.142 5.404 33.536 961 HD12 LEU 130 HD12 LEU 130 -1.629 7.087 33.702 962 HD13 LEU 130 HD13 LEU 130 0.057 6.685 33.372 963 HD21 LEU 130 HD21 LEU 130 -3.188 5.650 31.128 964 HD22 LEU 130 HD22 LEU 130 -2.959 7.318 30.614 965 HD23 LEU 130 HD23 LEU 130 -3.282 6.954 32.309 966 H ILE 131 H ILE 131 -3.425 9.136 31.878 967 HA ILE 131 HA ILE 131 -2.798 10.008 34.624 968 HB ILE 131 HB ILE 131 -5.445 9.954 33.150 969 HG12 ILE 131 HG13 ILE 131 -3.927 11.597 32.123 970 HG13 ILE 131 HG12 ILE 131 -5.214 12.418 32.993 971 HG21 ILE 131 HG21 ILE 131 -5.906 9.850 35.482 972 HG22 ILE 131 HG22 ILE 131 -6.105 11.546 35.040 973 HG23 ILE 131 HG23 ILE 131 -4.638 11.016 35.862 974 HD11 ILE 131 HD11 ILE 131 -3.040 13.505 33.417 975 HD12 ILE 131 HD12 ILE 131 -2.386 11.981 34.018 976 HD13 ILE 131 HD13 ILE 131 -3.675 12.796 34.903 977 HA PRO 132 HA PRO 132 -3.757 5.664 35.588 978 HB2 PRO 132 HB3 PRO 132 -3.065 5.757 38.236 979 HB3 PRO 132 HB2 PRO 132 -1.886 5.575 36.925 980 HG2 PRO 132 HG3 PRO 132 -2.582 7.978 38.511 981 HG3 PRO 132 HG2 PRO 132 -1.029 7.474 37.836 982 HD2 PRO 132 HD3 PRO 132 -2.660 9.409 36.766 983 HD3 PRO 132 HD2 PRO 132 -1.418 8.515 35.863 984 H ALA 133 H ALA 133 -5.976 5.792 35.353 985 HA ALA 133 HA ALA 133 -7.769 7.244 36.902 986 HB1 ALA 133 HB1 ALA 133 -9.359 5.297 36.103 987 HB2 ALA 133 HB2 ALA 133 -7.950 4.822 35.149 988 HB3 ALA 133 HB3 ALA 133 -8.669 6.420 34.931 989 H GLU 134 H GLU 134 -6.810 3.802 37.257 990 HA GLU 134 HA GLU 134 -6.931 3.815 40.080 991 HB2 GLU 134 HB3 GLU 134 -9.398 4.035 39.541 992 HB3 GLU 134 HB2 GLU 134 -9.298 2.443 38.798 993 HG2 GLU 134 HG3 GLU 134 -8.515 1.488 40.935 994 HG3 GLU 134 HG2 GLU 134 -8.595 3.083 41.678 995 H GLU 135 H GLU 135 -8.035 1.459 37.616 996 HA GLU 135 HA GLU 135 -7.360 -0.673 37.139 997 HB2 GLU 135 HB3 GLU 135 -4.680 0.593 37.758 998 HB3 GLU 135 HB2 GLU 135 -4.868 -1.009 37.050 999 HG2 GLU 135 HG3 GLU 135 -5.932 1.567 35.851 1000 HG3 GLU 135 HG2 GLU 135 -4.484 0.719 35.318 1001 H SER 136 H SER 136 -8.484 -0.517 39.543 1002 HA SER 136 HA SER 136 -6.766 -1.944 41.458 1003 HB2 SER 136 HB3 SER 136 -8.018 -0.026 42.333 1004 HB3 SER 136 HB2 SER 136 -9.529 -0.748 41.787 1005 HG SER 136 HG SER 136 -9.510 -1.705 43.655 Start of MODEL 10 1 H MET 1 H1 MET 1 -10.160 24.205 32.288 2 HA MET 1 HA MET 1 -10.009 24.591 30.094 3 HB2 MET 1 HB3 MET 1 -12.593 26.133 30.433 4 HB3 MET 1 HB2 MET 1 -11.726 26.031 28.900 5 HG2 MET 1 HG3 MET 1 -11.937 23.608 28.887 6 HG3 MET 1 HG2 MET 1 -12.668 23.626 30.490 7 HE1 MET 1 HE1 MET 1 -13.456 26.097 27.282 8 HE2 MET 1 HE2 MET 1 -14.366 24.830 26.464 9 HE3 MET 1 HE3 MET 1 -12.699 24.533 26.948 10 H THR 2 H THR 2 -8.336 25.836 29.585 11 HA THR 2 HA THR 2 -8.372 28.694 30.354 12 HB THR 2 HB THR 2 -5.955 28.549 30.827 13 HG1 THR 2 HG1 THR 2 -6.344 25.757 30.552 14 HG21 THR 2 HG21 THR 2 -7.806 26.711 32.352 15 HG22 THR 2 HG22 THR 2 -7.326 28.359 32.760 16 HG23 THR 2 HG23 THR 2 -6.160 27.042 32.891 17 H ASN 3 H ASN 3 -7.020 30.063 29.022 18 HA ASN 3 HA ASN 3 -6.999 29.161 26.236 19 HB2 ASN 3 HB3 ASN 3 -8.073 31.321 26.868 20 HB3 ASN 3 HB2 ASN 3 -6.494 31.921 27.364 21 HD21 ASN 3 HD21 ASN 3 -7.004 33.581 25.592 22 HD22 ASN 3 HD22 ASN 3 -6.571 33.180 24.003 23 H PHE 4 H PHE 4 -5.225 28.090 25.708 24 HA PHE 4 HA PHE 4 -2.619 28.671 26.842 25 HB2 PHE 4 HB3 PHE 4 -3.597 26.676 24.793 26 HB3 PHE 4 HB2 PHE 4 -1.918 26.787 25.315 27 HD1 PHE 4 HD1 PHE 4 -5.375 26.031 26.392 28 HD2 PHE 4 HD2 PHE 4 -1.232 26.050 27.522 29 HE1 PHE 4 HE1 PHE 4 -5.915 24.678 28.399 30 HE2 PHE 4 HE2 PHE 4 -1.771 24.701 29.530 31 HZ PHE 4 HZ PHE 4 -4.114 24.014 29.969 32 H LYS 5 H LYS 5 -4.378 29.928 24.254 33 HA LYS 5 HA LYS 5 -2.422 30.218 22.246 34 HB2 LYS 5 HB3 LYS 5 -4.811 31.980 22.856 35 HB3 LYS 5 HB2 LYS 5 -3.915 31.954 21.339 36 HG2 LYS 5 HG3 LYS 5 -5.300 29.526 22.514 37 HG3 LYS 5 HG2 LYS 5 -6.041 30.583 21.320 38 HD2 LYS 5 HD3 LYS 5 -4.363 30.022 19.673 39 HD3 LYS 5 HD2 LYS 5 -3.411 29.140 20.867 40 HE2 LYS 5 HE3 LYS 5 -5.250 27.558 21.191 41 HE3 LYS 5 HE2 LYS 5 -6.212 28.420 19.987 42 HZ1 LYS 5 HZ1 LYS 5 -4.855 26.376 19.259 43 HZ2 LYS 5 HZ2 LYS 5 -3.520 27.426 19.311 44 HZ3 LYS 5 HZ3 LYS 5 -4.827 27.758 18.278 45 H LEU 6 H LEU 6 -3.206 32.144 25.077 46 HA LEU 6 HA LEU 6 -1.684 34.454 24.399 47 HB2 LEU 6 HB3 LEU 6 -3.049 33.374 26.815 48 HB3 LEU 6 HB2 LEU 6 -1.801 34.581 27.094 49 HG LEU 6 HG LEU 6 -2.952 36.179 25.645 50 HD11 LEU 6 HD11 LEU 6 -5.465 35.281 25.034 51 HD12 LEU 6 HD12 LEU 6 -4.545 33.786 24.861 52 HD13 LEU 6 HD13 LEU 6 -4.105 35.200 23.915 53 HD21 LEU 6 HD21 LEU 6 -4.869 36.594 27.050 54 HD22 LEU 6 HD22 LEU 6 -3.619 35.869 28.063 55 HD23 LEU 6 HD23 LEU 6 -4.972 34.889 27.496 56 H ILE 7 H ILE 7 -0.707 31.342 25.430 57 HA ILE 7 HA ILE 7 1.577 31.942 26.958 58 HB ILE 7 HB ILE 7 1.027 29.574 25.146 59 HG12 ILE 7 HG13 ILE 7 0.753 29.847 28.156 60 HG13 ILE 7 HG12 ILE 7 -0.591 30.039 27.035 61 HG21 ILE 7 HG21 ILE 7 2.769 28.412 26.408 62 HG22 ILE 7 HG22 ILE 7 3.026 29.827 27.429 63 HG23 ILE 7 HG23 ILE 7 3.462 29.878 25.723 64 HD11 ILE 7 HD11 ILE 7 -0.380 27.721 28.020 65 HD12 ILE 7 HD12 ILE 7 1.147 27.563 27.148 66 HD13 ILE 7 HD13 ILE 7 -0.360 27.770 26.257 67 H THR 8 H THR 8 3.688 32.277 26.432 68 HA THR 8 HA THR 8 4.226 33.465 23.855 69 HB THR 8 HB THR 8 6.434 33.980 24.867 70 HG1 THR 8 HG1 THR 8 6.225 32.006 26.265 71 HG21 THR 8 HG21 THR 8 5.526 35.419 26.737 72 HG22 THR 8 HG22 THR 8 3.965 34.639 26.482 73 HG23 THR 8 HG23 THR 8 4.690 35.601 25.194 74 H ASP 9 H ASP 9 6.199 32.887 22.647 75 HA ASP 9 HA ASP 9 6.171 30.180 21.909 76 HB2 ASP 9 HB3 ASP 9 8.130 32.399 21.335 77 HB3 ASP 9 HB2 ASP 9 8.283 30.793 20.632 78 H THR 10 H THR 10 8.399 31.985 24.004 79 HA THR 10 HA THR 10 10.333 29.952 24.327 80 HB THR 10 HB THR 10 9.520 32.125 26.287 81 HG1 THR 10 HG1 THR 10 10.299 33.263 24.696 82 HG21 THR 10 HG21 THR 10 11.649 31.791 27.342 83 HG22 THR 10 HG22 THR 10 12.188 30.701 26.066 84 HG23 THR 10 HG23 THR 10 10.933 30.182 27.197 85 H GLU 11 H GLU 11 7.406 30.743 26.170 86 HA GLU 11 HA GLU 11 7.697 28.846 28.206 87 HB2 GLU 11 HB3 GLU 11 5.238 30.092 26.985 88 HB3 GLU 11 HB2 GLU 11 5.184 29.042 28.398 89 HG2 GLU 11 HG3 GLU 11 6.618 30.538 29.644 90 HG3 GLU 11 HG2 GLU 11 6.907 31.525 28.221 91 H TRP 12 H TRP 12 6.277 28.542 24.970 92 HA TRP 12 HA TRP 12 5.208 25.944 25.323 93 HB2 TRP 12 HB3 TRP 12 5.993 27.610 22.960 94 HB3 TRP 12 HB2 TRP 12 5.664 25.899 22.711 95 HD1 TRP 12 HD1 TRP 12 3.949 29.129 22.831 96 HE1 TRP 12 HE1 TRP 12 1.398 28.789 23.043 97 HE3 TRP 12 HE3 TRP 12 3.829 24.204 24.171 98 HZ2 TRP 12 HZ2 TRP 12 -0.444 26.699 23.693 99 HZ3 TRP 12 HZ3 TRP 12 1.669 23.061 24.569 100 HH2 TRP 12 HH2 TRP 12 -0.468 24.295 24.329 101 H ARG 13 H ARG 13 8.418 27.055 24.295 102 HA ARG 13 HA ARG 13 9.446 24.532 23.538 103 HB2 ARG 13 HB3 ARG 13 10.802 27.053 24.497 104 HB3 ARG 13 HB2 ARG 13 11.681 25.639 23.915 105 HG2 ARG 13 HG3 ARG 13 10.559 25.778 21.752 106 HG3 ARG 13 HG2 ARG 13 9.566 27.119 22.323 107 HD2 ARG 13 HD3 ARG 13 11.420 27.993 21.003 108 HD3 ARG 13 HD2 ARG 13 11.632 28.456 22.689 109 HE ARG 13 HE ARG 13 12.979 26.005 22.183 110 HH11 ARG 13 HH11 ARG 13 13.238 29.437 21.522 111 HH12 ARG 13 HH12 ARG 13 14.964 29.398 21.388 112 HH21 ARG 13 HH21 ARG 13 15.225 26.001 22.004 113 HH22 ARG 13 HH22 ARG 13 16.078 27.468 21.658 114 H GLN 14 H GLN 14 9.484 26.272 26.614 115 HA GLN 14 HA GLN 14 10.962 24.152 27.940 116 HB2 GLN 14 HB3 GLN 14 10.535 25.612 30.014 117 HB3 GLN 14 HB2 GLN 14 11.562 26.276 28.747 118 HG2 GLN 14 HG3 GLN 14 10.107 27.934 28.243 119 HG3 GLN 14 HG2 GLN 14 8.697 26.923 28.445 120 HE21 GLN 14 HE21 GLN 14 8.938 29.625 29.462 121 HE22 GLN 14 HE22 GLN 14 8.845 29.538 31.151 122 H ARG 15 H ARG 15 7.659 24.989 27.432 123 HA ARG 15 HA ARG 15 6.455 23.739 29.673 124 HB2 ARG 15 HB3 ARG 15 5.591 24.696 26.990 125 HB3 ARG 15 HB2 ARG 15 4.528 23.546 27.796 126 HG2 ARG 15 HG3 ARG 15 4.207 24.988 29.655 127 HG3 ARG 15 HG2 ARG 15 5.550 26.031 29.192 128 HD2 ARG 15 HD3 ARG 15 4.343 26.758 27.211 129 HD3 ARG 15 HD2 ARG 15 3.035 25.630 27.549 130 HE ARG 15 HE ARG 15 3.529 28.183 28.866 131 HH11 ARG 15 HH11 ARG 15 1.845 25.115 29.009 132 HH12 ARG 15 HH12 ARG 15 0.638 25.699 30.106 133 HH21 ARG 15 HH21 ARG 15 1.955 28.895 30.304 134 HH22 ARG 15 HH22 ARG 15 0.703 27.822 30.833 135 H LEU 16 H LEU 16 7.282 22.551 26.442 136 HA LEU 16 HA LEU 16 6.894 19.797 27.410 137 HB2 LEU 16 HB3 LEU 16 5.896 19.361 25.023 138 HB3 LEU 16 HB2 LEU 16 4.868 19.958 26.317 139 HG LEU 16 HG LEU 16 5.293 22.309 25.429 140 HD11 LEU 16 HD11 LEU 16 6.426 20.752 23.089 141 HD12 LEU 16 HD12 LEU 16 7.339 21.816 24.159 142 HD13 LEU 16 HD13 LEU 16 6.093 22.484 23.106 143 HD21 LEU 16 HD21 LEU 16 3.197 21.313 24.929 144 HD22 LEU 16 HD22 LEU 16 3.915 20.204 23.762 145 HD23 LEU 16 HD23 LEU 16 3.800 21.925 23.389 146 H SER 17 H SER 17 7.515 18.214 25.534 147 HA SER 17 HA SER 17 10.297 18.366 25.194 148 HB2 SER 17 HB3 SER 17 8.187 16.695 23.828 149 HB3 SER 17 HB2 SER 17 9.911 16.463 23.565 150 HG SER 17 HG SER 17 9.886 15.364 25.351 151 H SER 18 H SER 18 11.553 18.571 23.293 152 HA SER 18 HA SER 18 10.922 20.782 21.683 153 HB2 SER 18 HB3 SER 18 12.890 20.158 20.362 154 HB3 SER 18 HB2 SER 18 13.232 20.015 22.084 155 HG SER 18 HG SER 18 13.776 18.191 20.538 156 H GLU 19 H GLU 19 10.511 17.322 21.195 157 HA GLU 19 HA GLU 19 9.705 17.483 18.471 158 HB2 GLU 19 HB3 GLU 19 8.690 15.190 18.967 159 HB3 GLU 19 HB2 GLU 19 10.426 15.343 19.180 160 HG2 GLU 19 HG3 GLU 19 8.747 15.885 21.585 161 HG3 GLU 19 HG2 GLU 19 8.796 14.220 21.028 162 H GLU 20 H GLU 20 7.901 17.475 21.546 163 HA GLU 20 HA GLU 20 5.315 17.463 20.475 164 HB2 GLU 20 HB3 GLU 20 6.412 18.563 23.058 165 HB3 GLU 20 HB2 GLU 20 4.690 18.544 22.671 166 HG2 GLU 20 HG3 GLU 20 4.791 16.102 22.346 167 HG3 GLU 20 HG2 GLU 20 6.504 16.113 22.738 168 H TYR 21 H TYR 21 7.585 20.096 21.094 169 HA TYR 21 HA TYR 21 5.848 22.275 20.770 170 HB2 TYR 21 HB3 TYR 21 8.170 22.420 21.637 171 HB3 TYR 21 HB2 TYR 21 8.786 22.064 20.028 172 HD1 TYR 21 HD1 TYR 21 7.395 24.625 22.221 173 HD2 TYR 21 HD2 TYR 21 8.391 23.678 18.150 174 HE1 TYR 21 HE1 TYR 21 7.268 27.029 21.628 175 HE2 TYR 21 HE2 TYR 21 8.268 26.082 17.561 176 HH TYR 21 HH TYR 21 8.119 28.548 19.928 177 H ARG 22 H ARG 22 7.942 20.678 18.307 178 HA ARG 22 HA ARG 22 6.894 22.271 16.161 179 HB2 ARG 22 HB3 ARG 22 8.274 20.931 14.704 180 HB3 ARG 22 HB2 ARG 22 9.192 21.295 16.159 181 HG2 ARG 22 HG3 ARG 22 8.619 19.051 17.065 182 HG3 ARG 22 HG2 ARG 22 7.744 18.691 15.574 183 HD2 ARG 22 HD3 ARG 22 10.676 19.442 15.676 184 HD3 ARG 22 HD2 ARG 22 10.083 17.784 15.602 185 HE ARG 22 HE ARG 22 8.884 19.151 13.488 186 HH11 ARG 22 HH11 ARG 22 12.139 18.313 14.482 187 HH12 ARG 22 HH12 ARG 22 12.744 18.258 12.860 188 HH21 ARG 22 HH21 ARG 22 9.712 19.069 11.397 189 HH22 ARG 22 HH22 ARG 22 11.379 18.683 11.129 190 H VAL 23 H VAL 23 6.273 19.039 17.376 191 HA VAL 23 HA VAL 23 4.608 18.113 15.306 192 HB VAL 23 HB VAL 23 4.870 17.374 18.230 193 HG11 VAL 23 HG11 VAL 23 2.660 16.645 17.661 194 HG12 VAL 23 HG12 VAL 23 3.696 15.226 17.508 195 HG13 VAL 23 HG13 VAL 23 3.182 16.103 16.067 196 HG21 VAL 23 HG21 VAL 23 5.679 15.830 15.756 197 HG22 VAL 23 HG22 VAL 23 6.210 15.572 17.417 198 HG23 VAL 23 HG23 VAL 23 6.752 16.993 16.526 199 H LEU 24 H LEU 24 3.872 19.822 18.321 200 HA LEU 24 HA LEU 24 1.029 19.888 17.820 201 HB2 LEU 24 HB3 LEU 24 2.766 21.252 19.888 202 HB3 LEU 24 HB2 LEU 24 1.010 21.404 19.836 203 HG LEU 24 HG LEU 24 2.452 18.735 20.010 204 HD11 LEU 24 HD11 LEU 24 2.834 20.287 21.984 205 HD12 LEU 24 HD12 LEU 24 2.032 18.766 22.380 206 HD13 LEU 24 HD13 LEU 24 1.092 20.253 22.249 207 HD21 LEU 24 HD21 LEU 24 0.242 18.383 19.203 208 HD22 LEU 24 HD22 LEU 24 -0.425 19.647 20.236 209 HD23 LEU 24 HD23 LEU 24 0.102 18.118 20.941 210 H ARG 25 H ARG 25 3.691 21.788 16.777 211 HA ARG 25 HA ARG 25 2.166 24.250 16.494 212 HB2 ARG 25 HB3 ARG 25 5.004 23.422 16.015 213 HB3 ARG 25 HB2 ARG 25 4.398 24.851 15.185 214 HG2 ARG 25 HG3 ARG 25 4.019 24.500 18.166 215 HG3 ARG 25 HG2 ARG 25 5.507 25.182 17.509 216 HD2 ARG 25 HD3 ARG 25 4.081 26.847 16.250 217 HD3 ARG 25 HD2 ARG 25 2.696 26.250 17.156 218 HE ARG 25 HE ARG 25 4.706 26.931 18.999 219 HH11 ARG 25 HH11 ARG 25 2.598 28.520 16.691 220 HH12 ARG 25 HH12 ARG 25 2.564 30.010 17.573 221 HH21 ARG 25 HH21 ARG 25 4.639 28.889 20.109 222 HH22 ARG 25 HH22 ARG 25 3.711 30.215 19.492 223 H GLU 26 H GLU 26 3.776 21.977 14.208 224 HA GLU 26 HA GLU 26 1.789 22.812 12.185 225 HB2 GLU 26 HB3 GLU 26 3.560 22.819 10.465 226 HB3 GLU 26 HB2 GLU 26 3.838 24.034 11.710 227 HG2 GLU 26 HG3 GLU 26 5.415 22.480 12.842 228 HG3 GLU 26 HG2 GLU 26 5.166 21.309 11.549 229 H ALA 27 H ALA 27 2.043 20.329 13.875 230 HA ALA 27 HA ALA 27 1.818 18.044 13.626 231 HB1 ALA 27 HB1 ALA 27 -0.057 18.147 12.325 232 HB2 ALA 27 HB2 ALA 27 1.026 17.516 11.090 233 HB3 ALA 27 HB3 ALA 27 0.682 19.243 11.158 234 H GLY 28 H GLY 28 4.383 18.815 13.552 235 HA2 GLY 28 HA3 GLY 28 5.932 18.279 11.295 236 HA3 GLY 28 HA2 GLY 28 6.500 18.187 12.951 237 H THR 29 H THR 29 4.965 16.039 13.924 238 HA THR 29 HA THR 29 4.966 13.757 12.248 239 HB THR 29 HB THR 29 7.409 14.076 12.241 240 HG1 THR 29 HG1 THR 29 7.197 12.001 12.143 241 HG21 THR 29 HG21 THR 29 7.479 15.211 14.504 242 HG22 THR 29 HG22 THR 29 8.729 13.994 14.245 243 HG23 THR 29 HG23 THR 29 7.316 13.612 15.229 244 H GLU 30 H GLU 30 5.254 11.660 13.803 245 HA GLU 30 HA GLU 30 4.127 12.172 16.448 246 HB2 GLU 30 HB3 GLU 30 2.254 10.587 16.077 247 HB3 GLU 30 HB2 GLU 30 2.129 12.012 15.056 248 HG2 GLU 30 HG3 GLU 30 3.581 9.673 13.890 249 HG3 GLU 30 HG2 GLU 30 1.843 9.504 14.098 250 H ALA 31 H ALA 31 6.536 11.418 16.477 251 HA ALA 31 HA ALA 31 6.745 8.485 16.369 252 HB1 ALA 31 HB1 ALA 31 8.504 9.795 15.256 253 HB2 ALA 31 HB2 ALA 31 9.148 8.838 16.591 254 HB3 ALA 31 HB3 ALA 31 8.891 10.572 16.791 255 HA PRO 32 HA PRO 32 6.312 8.662 20.904 256 HB2 PRO 32 HB3 PRO 32 5.883 6.026 21.293 257 HB3 PRO 32 HB2 PRO 32 4.633 7.086 20.605 258 HG2 PRO 32 HG3 PRO 32 6.530 5.259 19.183 259 HG3 PRO 32 HG2 PRO 32 4.787 5.450 18.956 260 HD2 PRO 32 HD3 PRO 32 6.604 6.627 17.349 261 HD3 PRO 32 HD2 PRO 32 5.024 7.357 17.712 262 H HIS 33 H HIS 33 7.268 6.823 22.596 263 HA HIS 33 HA HIS 33 9.134 6.046 23.654 264 HB2 HIS 33 HB3 HIS 33 9.939 5.453 20.803 265 HB3 HIS 33 HB2 HIS 33 10.856 4.918 22.211 266 HD1 HIS 33 HD1 HIS 33 9.740 3.134 23.764 267 HD2 HIS 33 HD2 HIS 33 7.491 4.090 20.393 268 HE1 HIS 33 HE1 HIS 33 7.925 1.375 23.593 269 HE2 HIS 33 HE2 HIS 33 6.547 1.940 21.536 270 H THR 34 H THR 34 8.986 8.833 23.179 271 HA THR 34 HA THR 34 11.828 9.565 22.790 272 HB THR 34 HB THR 34 11.009 11.863 22.423 273 HG1 THR 34 HG1 THR 34 9.116 11.880 23.528 274 HG21 THR 34 HG21 THR 34 10.226 11.516 20.208 275 HG22 THR 34 HG22 THR 34 9.492 9.966 20.632 276 HG23 THR 34 HG23 THR 34 11.248 10.120 20.565 277 H GLY 35 H GLY 35 9.975 8.708 25.278 278 HA2 GLY 35 HA3 GLY 35 11.439 10.326 27.182 279 HA3 GLY 35 HA2 GLY 35 9.694 10.570 27.197 280 H GLU 36 H GLU 36 12.086 8.943 28.665 281 HA GLU 36 HA GLU 36 11.063 6.303 28.918 282 HB2 GLU 36 HB3 GLU 36 12.736 6.068 30.660 283 HB3 GLU 36 HB2 GLU 36 13.396 6.974 29.302 284 HG2 GLU 36 HG3 GLU 36 12.971 9.095 30.494 285 HG3 GLU 36 HG2 GLU 36 12.326 8.197 31.859 286 H TYR 37 H TYR 37 10.321 9.284 30.482 287 HA TYR 37 HA TYR 37 9.105 8.171 32.838 288 HB2 TYR 37 HB3 TYR 37 9.001 10.927 31.608 289 HB3 TYR 37 HB2 TYR 37 8.239 10.508 33.142 290 HD1 TYR 37 HD1 TYR 37 11.423 11.036 31.388 291 HD2 TYR 37 HD2 TYR 37 9.590 9.900 35.103 292 HE1 TYR 37 HE1 TYR 37 13.595 11.329 32.549 293 HE2 TYR 37 HE2 TYR 37 11.762 10.192 36.264 294 HH TYR 37 HH TYR 37 14.707 10.524 34.593 295 H THR 38 H THR 38 8.047 8.377 29.610 296 HA THR 38 HA THR 38 5.364 9.033 29.742 297 HB THR 38 HB THR 38 6.497 8.554 27.626 298 HG1 THR 38 HG1 THR 38 4.759 7.652 26.708 299 HG21 THR 38 HG21 THR 38 6.286 5.605 28.222 300 HG22 THR 38 HG22 THR 38 7.738 6.510 28.650 301 HG23 THR 38 HG23 THR 38 7.226 6.411 26.965 302 H ASN 39 H ASN 39 6.918 5.984 30.602 303 HA ASN 39 HA ASN 39 6.224 4.165 31.784 304 HB2 ASN 39 HB3 ASN 39 4.198 6.179 32.770 305 HB3 ASN 39 HB2 ASN 39 4.283 4.533 33.387 306 HD21 ASN 39 HD21 ASN 39 4.806 6.895 35.001 307 HD22 ASN 39 HD22 ASN 39 6.433 6.832 35.485 308 H THR 40 H THR 40 2.957 5.497 31.196 309 HA THR 40 HA THR 40 1.134 4.637 30.106 310 HB THR 40 HB THR 40 3.049 3.158 28.303 311 HG1 THR 40 HG1 THR 40 3.871 4.998 27.798 312 HG21 THR 40 HG21 THR 40 0.804 2.718 27.705 313 HG22 THR 40 HG22 THR 40 1.287 4.025 26.625 314 HG23 THR 40 HG23 THR 40 0.298 4.374 28.042 315 H THR 41 H THR 41 2.432 3.094 32.320 316 HA THR 41 HA THR 41 1.816 0.309 31.637 317 HB THR 41 HB THR 41 2.694 -0.202 33.886 318 HG1 THR 41 HG1 THR 41 2.113 1.669 34.953 319 HG21 THR 41 HG21 THR 41 4.397 1.594 32.142 320 HG22 THR 41 HG22 THR 41 4.294 -0.165 32.079 321 HG23 THR 41 HG23 THR 41 5.038 0.625 33.469 322 H THR 42 H THR 42 0.135 2.975 32.837 323 HA THR 42 HA THR 42 -1.731 1.324 34.412 324 HB THR 42 HB THR 42 -1.454 4.340 34.285 325 HG1 THR 42 HG1 THR 42 0.071 4.019 35.655 326 HG21 THR 42 HG21 THR 42 -2.972 2.658 36.279 327 HG22 THR 42 HG22 THR 42 -3.736 3.423 34.887 328 HG23 THR 42 HG23 THR 42 -2.982 4.416 36.137 329 H GLU 43 H GLU 43 -3.949 1.360 33.926 330 HA GLU 43 HA GLU 43 -4.556 2.056 31.132 331 HB2 GLU 43 HB3 GLU 43 -6.624 0.649 31.507 332 HB3 GLU 43 HB2 GLU 43 -5.108 -0.234 31.647 333 HG2 GLU 43 HG3 GLU 43 -5.221 -0.077 34.100 334 HG3 GLU 43 HG2 GLU 43 -6.710 0.856 33.988 335 H GLY 44 H GLY 44 -4.371 4.304 32.132 336 HA2 GLY 44 HA3 GLY 44 -6.869 5.148 33.407 337 HA3 GLY 44 HA2 GLY 44 -5.370 6.036 33.410 338 H ILE 45 H ILE 45 -6.236 7.955 32.688 339 HA ILE 45 HA ILE 45 -7.542 7.955 30.039 340 HB ILE 45 HB ILE 45 -7.524 10.016 32.266 341 HG12 ILE 45 HG13 ILE 45 -9.912 8.474 31.221 342 HG13 ILE 45 HG12 ILE 45 -8.879 7.782 32.468 343 HG21 ILE 45 HG21 ILE 45 -9.003 11.346 30.937 344 HG22 ILE 45 HG22 ILE 45 -9.238 10.050 29.766 345 HG23 ILE 45 HG23 ILE 45 -7.690 10.897 29.843 346 HD11 ILE 45 HD11 ILE 45 -9.396 9.474 34.015 347 HD12 ILE 45 HD12 ILE 45 -10.942 9.140 33.232 348 HD13 ILE 45 HD13 ILE 45 -10.009 10.564 32.767 349 H TYR 46 H TYR 46 -6.648 8.948 28.363 350 HA TYR 46 HA TYR 46 -3.920 9.731 28.393 351 HB2 TYR 46 HB3 TYR 46 -6.163 9.846 26.409 352 HB3 TYR 46 HB2 TYR 46 -4.644 10.652 26.046 353 HD1 TYR 46 HD1 TYR 46 -5.950 7.343 27.251 354 HD2 TYR 46 HD2 TYR 46 -2.957 9.433 24.987 355 HE1 TYR 46 HE1 TYR 46 -4.999 5.176 26.508 356 HE2 TYR 46 HE2 TYR 46 -1.999 7.265 24.251 357 HH TYR 46 HH TYR 46 -2.067 4.751 25.365 358 H SER 47 H SER 47 -2.985 11.733 28.503 359 HA SER 47 HA SER 47 -4.725 14.078 28.451 360 HB2 SER 47 HB3 SER 47 -3.555 15.075 30.390 361 HB3 SER 47 HB2 SER 47 -4.489 13.653 30.820 362 HG SER 47 HG SER 47 -1.960 14.073 31.266 363 H CYS 48 H CYS 48 -3.969 15.606 27.213 364 HA CYS 48 HA CYS 48 -1.643 15.442 25.664 365 HB2 CYS 48 HB3 CYS 48 -3.758 16.851 25.285 366 HB3 CYS 48 HB2 CYS 48 -3.080 18.001 26.413 367 H ARG 49 H ARG 49 0.443 15.844 26.207 368 HA ARG 49 HA ARG 49 1.201 16.611 28.819 369 HB2 ARG 49 HB3 ARG 49 2.618 15.298 27.199 370 HB3 ARG 49 HB2 ARG 49 2.931 16.811 26.348 371 HG2 ARG 49 HG3 ARG 49 3.896 17.790 28.373 372 HG3 ARG 49 HG2 ARG 49 3.512 16.332 29.289 373 HD2 ARG 49 HD3 ARG 49 4.971 15.033 27.722 374 HD3 ARG 49 HD2 ARG 49 5.430 16.549 26.958 375 HE ARG 49 HE ARG 49 5.904 16.811 29.709 376 HH11 ARG 49 HH11 ARG 49 7.114 14.932 27.006 377 HH12 ARG 49 HH12 ARG 49 8.699 14.765 27.685 378 HH21 ARG 49 HH21 ARG 49 7.978 16.572 30.548 379 HH22 ARG 49 HH22 ARG 49 9.182 15.687 29.672 380 H ALA 50 H ALA 50 0.671 18.426 25.866 381 HA ALA 50 HA ALA 50 1.940 20.842 26.529 382 HB1 ALA 50 HB1 ALA 50 1.277 20.511 24.291 383 HB2 ALA 50 HB2 ALA 50 0.233 21.801 24.892 384 HB3 ALA 50 HB3 ALA 50 -0.391 20.154 24.759 385 H CYS 51 H CYS 51 -1.504 19.938 26.961 386 HA CYS 51 HA CYS 51 -1.750 22.221 28.835 387 HB2 CYS 51 HB3 CYS 51 -4.301 21.938 28.145 388 HB3 CYS 51 HB2 CYS 51 -3.192 22.922 27.201 389 H GLY 52 H GLY 52 -2.758 18.904 28.176 390 HA2 GLY 52 HA3 GLY 52 -2.816 17.270 29.957 391 HA3 GLY 52 HA2 GLY 52 -3.302 18.546 31.062 392 H THR 53 H THR 53 -4.657 18.236 27.848 393 HA THR 53 HA THR 53 -7.312 18.038 28.973 394 HB THR 53 HB THR 53 -7.321 17.570 26.121 395 HG1 THR 53 HG1 THR 53 -6.267 19.617 25.615 396 HG21 THR 53 HG21 THR 53 -9.006 18.753 27.621 397 HG22 THR 53 HG22 THR 53 -8.640 19.554 26.092 398 HG23 THR 53 HG23 THR 53 -7.913 20.137 27.592 399 H GLU 54 H GLU 54 -8.715 16.357 28.932 400 HA GLU 54 HA GLU 54 -7.602 13.722 28.781 401 HB2 GLU 54 HB3 GLU 54 -10.461 14.662 29.087 402 HB3 GLU 54 HB2 GLU 54 -9.931 12.986 29.250 403 HG2 GLU 54 HG3 GLU 54 -8.402 13.685 31.086 404 HG3 GLU 54 HG2 GLU 54 -9.027 15.327 30.950 405 H LEU 55 H LEU 55 -6.807 14.034 26.577 406 HA LEU 55 HA LEU 55 -8.412 14.408 24.316 407 HB2 LEU 55 HB3 LEU 55 -5.877 12.763 24.529 408 HB3 LEU 55 HB2 LEU 55 -6.533 13.455 23.058 409 HG LEU 55 HG LEU 55 -5.456 14.988 25.443 410 HD11 LEU 55 HD11 LEU 55 -3.588 14.187 24.317 411 HD12 LEU 55 HD12 LEU 55 -3.819 15.758 23.553 412 HD13 LEU 55 HD13 LEU 55 -4.359 14.295 22.735 413 HD21 LEU 55 HD21 LEU 55 -6.189 16.269 22.809 414 HD22 LEU 55 HD22 LEU 55 -5.931 17.028 24.379 415 HD23 LEU 55 HD23 LEU 55 -7.394 16.106 24.087 416 H PHE 56 H PHE 56 -7.461 11.443 25.996 417 HA PHE 56 HA PHE 56 -9.658 10.033 24.667 418 HB2 PHE 56 HB3 PHE 56 -6.775 9.101 24.615 419 HB3 PHE 56 HB2 PHE 56 -8.150 8.088 24.186 420 HD1 PHE 56 HD1 PHE 56 -6.025 10.897 23.177 421 HD2 PHE 56 HD2 PHE 56 -9.527 8.609 22.197 422 HE1 PHE 56 HE1 PHE 56 -6.020 11.865 20.894 423 HE2 PHE 56 HE2 PHE 56 -9.520 9.577 19.915 424 HZ PHE 56 HZ PHE 56 -7.767 11.205 19.263 425 H ARG 57 H ARG 57 -10.020 7.830 25.649 426 HA ARG 57 HA ARG 57 -9.169 7.692 28.463 427 HB2 ARG 57 HB3 ARG 57 -11.470 7.029 29.110 428 HB3 ARG 57 HB2 ARG 57 -11.370 8.682 28.519 429 HG2 ARG 57 HG3 ARG 57 -12.086 7.838 26.254 430 HG3 ARG 57 HG2 ARG 57 -12.360 6.261 26.991 431 HD2 ARG 57 HD3 ARG 57 -13.986 7.238 28.544 432 HD3 ARG 57 HD2 ARG 57 -13.659 8.838 27.904 433 HE ARG 57 HE ARG 57 -14.492 7.069 25.826 434 HH11 ARG 57 HH11 ARG 57 -15.726 8.940 28.525 435 HH12 ARG 57 HH12 ARG 57 -17.300 9.125 27.826 436 HH21 ARG 57 HH21 ARG 57 -16.550 7.357 24.948 437 HH22 ARG 57 HH22 ARG 57 -17.760 8.236 25.821 438 H SER 58 H SER 58 -9.521 5.604 29.459 439 HA SER 58 HA SER 58 -8.322 3.538 28.008 440 HB2 SER 58 HB3 SER 58 -8.722 2.171 29.986 441 HB3 SER 58 HB2 SER 58 -8.156 3.776 30.436 442 HG SER 58 HG SER 58 -9.929 3.938 31.536 443 H THR 59 H THR 59 -11.698 4.335 28.276 444 HA THR 59 HA THR 59 -12.578 1.642 27.627 445 HB THR 59 HB THR 59 -13.971 3.010 29.084 446 HG1 THR 59 HG1 THR 59 -15.888 2.616 28.002 447 HG21 THR 59 HG21 THR 59 -13.584 5.229 28.360 448 HG22 THR 59 HG22 THR 59 -15.267 4.910 27.942 449 HG23 THR 59 HG23 THR 59 -14.019 4.853 26.694 450 H GLU 60 H GLU 60 -11.862 4.562 25.828 451 HA GLU 60 HA GLU 60 -12.944 3.272 23.395 452 HB2 GLU 60 HB3 GLU 60 -12.899 6.093 24.327 453 HB3 GLU 60 HB2 GLU 60 -12.543 5.853 22.615 454 HG2 GLU 60 HG3 GLU 60 -14.954 6.170 22.888 455 HG3 GLU 60 HG2 GLU 60 -14.644 4.503 22.412 456 H LYS 61 H LYS 61 -10.236 2.891 24.693 457 HA LYS 61 HA LYS 61 -8.661 3.602 22.286 458 HB2 LYS 61 HB3 LYS 61 -6.662 3.849 23.657 459 HB3 LYS 61 HB2 LYS 61 -7.918 4.953 24.200 460 HG2 LYS 61 HG3 LYS 61 -7.318 4.118 26.255 461 HG3 LYS 61 HG2 LYS 61 -8.504 2.888 25.828 462 HD2 LYS 61 HD3 LYS 61 -6.794 1.356 25.129 463 HD3 LYS 61 HD2 LYS 61 -5.560 2.614 25.165 464 HE2 LYS 61 HE3 LYS 61 -5.819 2.807 27.606 465 HE3 LYS 61 HE2 LYS 61 -7.068 1.562 27.577 466 HZ1 LYS 61 HZ1 LYS 61 -4.575 0.971 28.051 467 HZ2 LYS 61 HZ2 LYS 61 -4.477 0.957 26.355 468 HZ3 LYS 61 HZ3 LYS 61 -5.566 -0.074 27.155 469 H PHE 62 H PHE 62 -7.225 2.089 21.503 470 HA PHE 62 HA PHE 62 -7.856 -0.673 22.199 471 HB2 PHE 62 HB3 PHE 62 -7.771 0.157 19.820 472 HB3 PHE 62 HB2 PHE 62 -6.032 0.363 20.017 473 HD1 PHE 62 HD1 PHE 62 -8.794 -2.116 20.012 474 HD2 PHE 62 HD2 PHE 62 -4.540 -1.524 19.997 475 HE1 PHE 62 HE1 PHE 62 -8.463 -4.519 19.502 476 HE2 PHE 62 HE2 PHE 62 -4.208 -3.930 19.487 477 HZ PHE 62 HZ PHE 62 -6.170 -5.427 19.240 478 H ASN 63 H ASN 63 -6.482 -2.087 23.163 479 HA ASN 63 HA ASN 63 -4.146 -1.026 24.495 480 HB2 ASN 63 HB3 ASN 63 -5.714 -2.675 25.548 481 HB3 ASN 63 HB2 ASN 63 -5.144 -3.883 24.399 482 HD21 ASN 63 HD21 ASN 63 -4.808 -3.679 27.439 483 HD22 ASN 63 HD22 ASN 63 -3.134 -3.820 27.682 484 H SER 64 H SER 64 -2.715 -0.504 22.865 485 HA SER 64 HA SER 64 -1.081 -2.669 21.876 486 HB2 SER 64 HB3 SER 64 -2.804 -2.628 20.139 487 HB3 SER 64 HB2 SER 64 -2.570 -0.897 19.925 488 HG SER 64 HG SER 64 -1.399 -2.479 18.488 489 H HIS 65 H HIS 65 0.861 -1.849 20.771 490 HA HIS 65 HA HIS 65 1.434 0.994 21.242 491 HB2 HIS 65 HB3 HIS 65 3.582 0.447 22.329 492 HB3 HIS 65 HB2 HIS 65 2.212 -0.140 23.264 493 HD1 HIS 65 HD1 HIS 65 4.954 -1.370 20.961 494 HD2 HIS 65 HD2 HIS 65 2.120 -2.934 23.588 495 HE1 HIS 65 HE1 HIS 65 5.499 -3.829 21.222 496 HE2 HIS 65 HE2 HIS 65 3.780 -4.797 22.821 497 H CYS 66 H CYS 66 3.505 1.670 20.228 498 HA CYS 66 HA CYS 66 4.869 1.886 18.396 499 HB2 CYS 66 HB3 CYS 66 5.462 -0.552 19.194 500 HB3 CYS 66 HB2 CYS 66 4.593 -1.024 17.734 501 HG CYS 66 HG CYS 66 7.059 0.906 17.651 502 H GLY 67 H GLY 67 4.882 1.676 15.988 503 HA2 GLY 67 HA3 GLY 67 3.830 1.927 13.955 504 HA3 GLY 67 HA2 GLY 67 2.673 0.719 14.511 505 H TRP 68 H TRP 68 0.788 1.678 13.829 506 HA TRP 68 HA TRP 68 0.068 4.221 15.120 507 HB2 TRP 68 HB3 TRP 68 -0.517 3.386 12.276 508 HB3 TRP 68 HB2 TRP 68 -1.262 4.769 13.075 509 HD1 TRP 68 HD1 TRP 68 0.324 6.769 13.795 510 HE1 TRP 68 HE1 TRP 68 2.569 7.606 12.836 511 HE3 TRP 68 HE3 TRP 68 1.705 2.641 11.147 512 HZ2 TRP 68 HZ2 TRP 68 4.674 6.628 11.153 513 HZ3 TRP 68 HZ3 TRP 68 3.832 2.615 9.874 514 HH2 TRP 68 HH2 TRP 68 5.316 4.601 9.875 515 HA PRO 69 HA PRO 69 -3.007 0.808 16.209 516 HB2 PRO 69 HB3 PRO 69 -2.968 2.337 18.769 517 HB3 PRO 69 HB2 PRO 69 -2.908 0.585 18.498 518 HG2 PRO 69 HG3 PRO 69 -0.746 1.892 19.255 519 HG3 PRO 69 HG2 PRO 69 -0.641 0.602 18.040 520 HD2 PRO 69 HD3 PRO 69 -0.621 3.585 17.621 521 HD3 PRO 69 HD2 PRO 69 0.381 2.335 16.846 522 H SER 70 H SER 70 -5.221 1.043 16.118 523 HA SER 70 HA SER 70 -6.258 3.707 15.591 524 HB2 SER 70 HB3 SER 70 -7.592 0.994 15.523 525 HB3 SER 70 HB2 SER 70 -8.358 2.504 15.044 526 HG SER 70 HG SER 70 -6.535 2.731 13.559 527 H PHE 71 H PHE 71 -7.991 4.668 16.689 528 HA PHE 71 HA PHE 71 -8.590 3.610 19.390 529 HB2 PHE 71 HB3 PHE 71 -8.036 6.501 18.663 530 HB3 PHE 71 HB2 PHE 71 -8.572 5.928 20.239 531 HD1 PHE 71 HD1 PHE 71 -5.760 6.152 17.899 532 HD2 PHE 71 HD2 PHE 71 -7.086 4.563 21.662 533 HE1 PHE 71 HE1 PHE 71 -3.407 5.692 18.533 534 HE2 PHE 71 HE2 PHE 71 -4.734 4.103 22.297 535 HZ PHE 71 HZ PHE 71 -2.894 4.667 20.733 536 H PHE 72 H PHE 72 -10.606 4.402 20.254 537 HA PHE 72 HA PHE 72 -12.625 4.654 18.157 538 HB2 PHE 72 HB3 PHE 72 -13.033 4.276 21.137 539 HB3 PHE 72 HB2 PHE 72 -14.254 4.112 19.885 540 HD1 PHE 72 HD1 PHE 72 -12.038 2.312 21.935 541 HD2 PHE 72 HD2 PHE 72 -13.543 2.399 17.912 542 HE1 PHE 72 HE1 PHE 72 -11.412 -0.067 21.651 543 HE2 PHE 72 HE2 PHE 72 -12.919 0.016 17.634 544 HZ PHE 72 HZ PHE 72 -11.853 -1.217 19.500 545 H SER 73 H SER 73 -14.623 6.084 19.311 546 HA SER 73 HA SER 73 -13.955 8.728 18.842 547 HB2 SER 73 HB3 SER 73 -16.260 7.809 18.928 548 HB3 SER 73 HB2 SER 73 -16.148 7.769 20.681 549 HG SER 73 HG SER 73 -17.058 9.706 20.183 550 HA PRO 74 HA PRO 74 -11.712 9.969 22.521 551 HB2 PRO 74 HB3 PRO 74 -12.191 12.673 22.519 552 HB3 PRO 74 HB2 PRO 74 -11.033 11.884 21.431 553 HG2 PRO 74 HG3 PRO 74 -13.844 12.735 20.899 554 HG3 PRO 74 HG2 PRO 74 -12.399 12.922 19.888 555 HD2 PRO 74 HD3 PRO 74 -14.199 10.968 19.415 556 HD3 PRO 74 HD2 PRO 74 -12.459 10.710 19.157 557 H LEU 75 H LEU 75 -12.195 11.662 24.477 558 HA LEU 75 HA LEU 75 -14.128 10.535 26.087 559 HB2 LEU 75 HB3 LEU 75 -12.501 12.999 26.143 560 HB3 LEU 75 HB2 LEU 75 -14.021 13.151 27.026 561 HG LEU 75 HG LEU 75 -13.371 10.856 28.084 562 HD11 LEU 75 HD11 LEU 75 -10.802 10.732 28.281 563 HD12 LEU 75 HD12 LEU 75 -10.773 11.765 26.854 564 HD13 LEU 75 HD13 LEU 75 -11.528 10.177 26.773 565 HD21 LEU 75 HD21 LEU 75 -13.450 12.713 29.525 566 HD22 LEU 75 HD22 LEU 75 -12.128 13.530 28.699 567 HD23 LEU 75 HD23 LEU 75 -11.796 12.130 29.719 568 H ALA 76 H ALA 76 -14.500 13.772 24.574 569 HA ALA 76 HA ALA 76 -17.290 13.155 23.960 570 HB1 ALA 76 HB1 ALA 76 -16.434 14.998 26.140 571 HB2 ALA 76 HB2 ALA 76 -17.832 13.928 26.053 572 HB3 ALA 76 HB3 ALA 76 -17.834 15.454 25.169 573 H GLY 77 H GLY 77 -14.491 14.426 22.909 574 HA2 GLY 77 HA3 GLY 77 -14.044 15.634 20.970 575 HA3 GLY 77 HA2 GLY 77 -15.767 15.966 20.817 576 H ASP 78 H ASP 78 -14.861 16.737 23.934 577 HA ASP 78 HA ASP 78 -14.895 19.593 23.388 578 HB2 ASP 78 HB3 ASP 78 -14.839 18.021 25.971 579 HB3 ASP 78 HB2 ASP 78 -15.037 19.767 25.834 580 H LYS 79 H LYS 79 -12.738 17.074 24.467 581 HA LYS 79 HA LYS 79 -10.636 18.950 25.208 582 HB2 LYS 79 HB3 LYS 79 -10.196 15.983 25.054 583 HB3 LYS 79 HB2 LYS 79 -9.488 17.158 26.155 584 HG2 LYS 79 HG3 LYS 79 -12.395 16.267 26.228 585 HG3 LYS 79 HG2 LYS 79 -11.135 15.641 27.280 586 HD2 LYS 79 HD3 LYS 79 -10.796 17.830 28.273 587 HD3 LYS 79 HD2 LYS 79 -11.933 18.558 27.135 588 HE2 LYS 79 HE3 LYS 79 -13.753 17.196 28.028 589 HE3 LYS 79 HE2 LYS 79 -12.641 16.379 29.121 590 HZ1 LYS 79 HZ1 LYS 79 -13.632 19.150 29.195 591 HZ2 LYS 79 HZ2 LYS 79 -12.126 18.784 29.891 592 HZ3 LYS 79 HZ3 LYS 79 -13.533 18.016 30.452 593 H VAL 80 H VAL 80 -11.676 17.171 22.477 594 HA VAL 80 HA VAL 80 -9.262 17.936 20.986 595 HB VAL 80 HB VAL 80 -9.344 15.775 19.751 596 HG11 VAL 80 HG11 VAL 80 -8.549 14.336 21.709 597 HG12 VAL 80 HG12 VAL 80 -8.966 15.700 22.749 598 HG13 VAL 80 HG13 VAL 80 -7.734 15.887 21.499 599 HG21 VAL 80 HG21 VAL 80 -11.261 14.882 21.929 600 HG22 VAL 80 HG22 VAL 80 -10.682 13.924 20.567 601 HG23 VAL 80 HG23 VAL 80 -11.765 15.289 20.287 602 H ILE 81 H ILE 81 -9.646 18.413 18.778 603 HA ILE 81 HA ILE 81 -12.505 18.607 18.038 604 HB ILE 81 HB ILE 81 -10.309 20.633 18.006 605 HG12 ILE 81 HG13 ILE 81 -12.207 22.181 18.380 606 HG13 ILE 81 HG12 ILE 81 -13.336 20.852 18.149 607 HG21 ILE 81 HG21 ILE 81 -12.414 20.627 15.820 608 HG22 ILE 81 HG22 ILE 81 -10.685 20.377 15.576 609 HG23 ILE 81 HG23 ILE 81 -11.277 21.934 16.158 610 HD11 ILE 81 HD11 ILE 81 -12.877 19.924 20.207 611 HD12 ILE 81 HD12 ILE 81 -12.509 21.607 20.590 612 HD13 ILE 81 HD13 ILE 81 -11.205 20.482 20.214 613 H GLU 82 H GLU 82 -13.120 17.744 16.208 614 HA GLU 82 HA GLU 82 -11.075 16.688 14.350 615 HB2 GLU 82 HB3 GLU 82 -13.883 15.614 14.438 616 HB3 GLU 82 HB2 GLU 82 -12.404 14.810 13.933 617 HG2 GLU 82 HG3 GLU 82 -11.672 14.950 16.400 618 HG3 GLU 82 HG2 GLU 82 -13.340 15.384 16.753 619 H ARG 83 H ARG 83 -11.068 17.573 12.368 620 HA ARG 83 HA ARG 83 -13.562 18.602 11.213 621 HB2 ARG 83 HB3 ARG 83 -12.494 20.735 10.570 622 HB3 ARG 83 HB2 ARG 83 -12.584 20.555 12.320 623 HG2 ARG 83 HG3 ARG 83 -10.236 19.849 12.398 624 HG3 ARG 83 HG2 ARG 83 -10.132 19.938 10.640 625 HD2 ARG 83 HD3 ARG 83 -10.814 22.286 12.427 626 HD3 ARG 83 HD2 ARG 83 -9.205 21.961 11.790 627 HE ARG 83 HE ARG 83 -10.946 21.992 9.606 628 HH11 ARG 83 HH11 ARG 83 -9.840 24.243 12.056 629 HH12 ARG 83 HH12 ARG 83 -10.043 25.629 11.038 630 HH21 ARG 83 HH21 ARG 83 -11.196 23.822 8.319 631 HH22 ARG 83 HH22 ARG 83 -10.803 25.391 8.940 632 H THR 84 H THR 84 -13.478 18.866 8.901 633 HA THR 84 HA THR 84 -11.507 17.081 7.677 634 HB THR 84 HB THR 84 -13.924 16.647 7.302 635 HG1 THR 84 HG1 THR 84 -13.442 15.997 5.371 636 HG21 THR 84 HG21 THR 84 -14.743 18.959 7.280 637 HG22 THR 84 HG22 THR 84 -15.152 18.158 5.763 638 HG23 THR 84 HG23 THR 84 -13.798 19.288 5.828 639 H ASP 85 H ASP 85 -10.280 17.619 5.901 640 HA ASP 85 HA ASP 85 -10.193 20.482 5.155 641 HB2 ASP 85 HB3 ASP 85 -8.392 19.902 6.810 642 HB3 ASP 85 HB2 ASP 85 -7.742 18.777 5.620 643 H THR 86 H THR 86 -10.613 20.613 3.057 644 HA THR 86 HA THR 86 -10.323 18.412 1.249 645 HB THR 86 HB THR 86 -10.897 21.279 0.485 646 HG1 THR 86 HG1 THR 86 -12.297 20.776 2.149 647 HG21 THR 86 HG21 THR 86 -11.510 18.555 -0.666 648 HG22 THR 86 HG22 THR 86 -10.658 19.898 -1.428 649 HG23 THR 86 HG23 THR 86 -12.398 19.997 -1.162 650 H SER 87 H SER 87 -8.010 18.253 1.806 651 HA SER 87 HA SER 87 -6.276 20.125 0.331 652 HB2 SER 87 HB3 SER 87 -5.587 19.772 2.612 653 HB3 SER 87 HB2 SER 87 -5.651 18.025 2.414 654 HG SER 87 HG SER 87 -3.569 19.448 2.093 655 H HIS 88 H HIS 88 -4.970 19.504 -1.313 656 HA HIS 88 HA HIS 88 -4.196 18.309 -3.101 657 HB2 HIS 88 HB3 HIS 88 -3.244 16.932 -1.199 658 HB3 HIS 88 HB2 HIS 88 -4.614 15.842 -1.402 659 HD1 HIS 88 HD1 HIS 88 -1.956 17.416 -3.662 660 HD2 HIS 88 HD2 HIS 88 -4.053 13.841 -3.209 661 HE1 HIS 88 HE1 HIS 88 -1.083 15.843 -5.444 662 HE2 HIS 88 HE2 HIS 88 -2.352 13.659 -5.182 663 H GLY 89 H GLY 89 -7.069 18.835 -2.878 664 HA2 GLY 89 HA3 GLY 89 -8.840 18.464 -4.334 665 HA3 GLY 89 HA2 GLY 89 -7.944 17.122 -5.030 666 H MET 90 H MET 90 -7.986 16.638 -1.726 667 HA MET 90 HA MET 90 -10.559 15.215 -1.749 668 HB2 MET 90 HB3 MET 90 -9.504 13.220 -0.809 669 HB3 MET 90 HB2 MET 90 -8.777 13.631 -2.359 670 HG2 MET 90 HG3 MET 90 -6.900 14.741 -1.185 671 HG3 MET 90 HG2 MET 90 -7.613 14.286 0.363 672 HE1 MET 90 HE1 MET 90 -5.971 13.419 -2.818 673 HE2 MET 90 HE2 MET 90 -7.224 12.217 -3.118 674 HE3 MET 90 HE3 MET 90 -5.576 11.695 -2.781 675 H VAL 91 H VAL 91 -11.316 14.612 0.405 676 HA VAL 91 HA VAL 91 -10.397 16.548 2.437 677 HB VAL 91 HB VAL 91 -12.708 15.975 3.495 678 HG11 VAL 91 HG11 VAL 91 -13.809 17.706 2.014 679 HG12 VAL 91 HG12 VAL 91 -12.340 17.677 1.038 680 HG13 VAL 91 HG13 VAL 91 -12.268 18.179 2.728 681 HG21 VAL 91 HG21 VAL 91 -13.425 15.409 0.623 682 HG22 VAL 91 HG22 VAL 91 -14.440 15.246 2.057 683 HG23 VAL 91 HG23 VAL 91 -13.114 14.116 1.783 684 H ARG 92 H ARG 92 -9.783 15.961 4.383 685 HA ARG 92 HA ARG 92 -10.105 13.175 5.261 686 HB2 ARG 92 HB3 ARG 92 -7.533 14.767 5.162 687 HB3 ARG 92 HB2 ARG 92 -7.735 13.295 6.104 688 HG2 ARG 92 HG3 ARG 92 -8.309 12.051 4.054 689 HG3 ARG 92 HG2 ARG 92 -8.135 13.529 3.107 690 HD2 ARG 92 HD3 ARG 92 -5.769 13.686 3.779 691 HD3 ARG 92 HD2 ARG 92 -5.939 12.214 4.732 692 HE ARG 92 HE ARG 92 -6.756 11.659 2.094 693 HH11 ARG 92 HH11 ARG 92 -3.826 12.455 3.847 694 HH12 ARG 92 HH12 ARG 92 -2.796 11.618 2.733 695 HH21 ARG 92 HH21 ARG 92 -5.380 10.586 0.674 696 HH22 ARG 92 HH22 ARG 92 -3.671 10.570 0.952 697 H THR 93 H THR 93 -10.407 12.994 7.488 698 HA THR 93 HA THR 93 -10.915 15.516 8.871 699 HB THR 93 HB THR 93 -11.369 12.710 9.906 700 HG1 THR 93 HG1 THR 93 -13.491 13.043 9.166 701 HG21 THR 93 HG21 THR 93 -13.102 13.981 11.272 702 HG22 THR 93 HG22 THR 93 -12.336 15.464 10.699 703 HG23 THR 93 HG23 THR 93 -11.420 14.321 11.681 704 H GLU 94 H GLU 94 -9.380 16.449 10.001 705 HA GLU 94 HA GLU 94 -7.117 14.871 10.971 706 HB2 GLU 94 HB3 GLU 94 -6.007 17.047 11.314 707 HB3 GLU 94 HB2 GLU 94 -6.571 16.872 9.654 708 HG2 GLU 94 HG3 GLU 94 -8.595 18.202 10.217 709 HG3 GLU 94 HG2 GLU 94 -7.993 18.405 11.857 710 H VAL 95 H VAL 95 -6.442 14.939 13.094 711 HA VAL 95 HA VAL 95 -8.539 15.673 15.037 712 HB VAL 95 HB VAL 95 -6.298 13.636 15.247 713 HG11 VAL 95 HG11 VAL 95 -7.678 12.999 17.365 714 HG12 VAL 95 HG12 VAL 95 -8.349 14.629 17.240 715 HG13 VAL 95 HG13 VAL 95 -6.612 14.403 17.463 716 HG21 VAL 95 HG21 VAL 95 -8.339 13.140 13.773 717 HG22 VAL 95 HG22 VAL 95 -9.291 13.179 15.257 718 HG23 VAL 95 HG23 VAL 95 -8.013 11.981 15.063 719 H ILE 96 H ILE 96 -8.179 17.336 16.272 720 HA ILE 96 HA ILE 96 -5.418 18.133 16.931 721 HB ILE 96 HB ILE 96 -6.143 20.484 16.877 722 HG12 ILE 96 HG13 ILE 96 -8.574 19.614 15.300 723 HG13 ILE 96 HG12 ILE 96 -8.662 19.760 17.053 724 HG21 ILE 96 HG21 ILE 96 -6.362 18.867 14.332 725 HG22 ILE 96 HG22 ILE 96 -4.945 19.700 14.975 726 HG23 ILE 96 HG23 ILE 96 -6.305 20.632 14.352 727 HD11 ILE 96 HD11 ILE 96 -7.401 22.053 15.651 728 HD12 ILE 96 HD12 ILE 96 -8.523 22.019 17.012 729 HD13 ILE 96 HD13 ILE 96 -9.130 21.824 15.370 730 H CYS 97 H CYS 97 -5.256 19.376 18.893 731 HA CYS 97 HA CYS 97 -7.049 18.371 20.974 732 HB2 CYS 97 HB3 CYS 97 -4.586 18.484 21.217 733 HB3 CYS 97 HB2 CYS 97 -4.659 20.229 21.156 734 H ALA 98 H ALA 98 -8.582 19.552 21.995 735 HA ALA 98 HA ALA 98 -9.700 21.801 20.763 736 HB1 ALA 98 HB1 ALA 98 -10.903 20.212 22.259 737 HB2 ALA 98 HB2 ALA 98 -11.188 21.907 22.662 738 HB3 ALA 98 HB3 ALA 98 -10.077 20.944 23.636 739 H ASN 99 H ASN 99 -7.066 21.627 23.012 740 HA ASN 99 HA ASN 99 -7.306 24.505 23.627 741 HB2 ASN 99 HB3 ASN 99 -5.684 22.304 24.897 742 HB3 ASN 99 HB2 ASN 99 -5.586 24.003 25.358 743 HD21 ASN 99 HD21 ASN 99 -7.622 21.144 25.418 744 HD22 ASN 99 HD22 ASN 99 -8.800 21.766 26.469 745 H CYS 100 H CYS 100 -5.318 22.189 21.911 746 HA CYS 100 HA CYS 100 -3.701 24.423 20.912 747 HB2 CYS 100 HB3 CYS 100 -1.606 23.134 21.198 748 HB3 CYS 100 HB2 CYS 100 -2.367 23.549 22.731 749 H GLU 101 H GLU 101 -2.441 23.815 18.963 750 HA GLU 101 HA GLU 101 -4.155 22.345 17.177 751 HB2 GLU 101 HB3 GLU 101 -1.587 23.887 16.793 752 HB3 GLU 101 HB2 GLU 101 -2.331 22.971 15.482 753 HG2 GLU 101 HG3 GLU 101 -4.366 24.254 15.637 754 HG3 GLU 101 HG2 GLU 101 -3.818 25.048 17.111 755 H SER 102 H SER 102 -3.868 20.327 18.444 756 HA SER 102 HA SER 102 -1.392 18.866 17.997 757 HB2 SER 102 HB3 SER 102 -3.990 17.943 19.241 758 HB3 SER 102 HB2 SER 102 -2.474 17.053 19.236 759 HG SER 102 HG SER 102 -2.091 18.126 20.998 760 H HIS 103 H HIS 103 -2.196 19.602 15.632 761 HA HIS 103 HA HIS 103 -3.931 17.710 14.313 762 HB2 HIS 103 HB3 HIS 103 -2.832 18.763 12.194 763 HB3 HIS 103 HB2 HIS 103 -3.942 19.732 13.150 764 HD1 HIS 103 HD1 HIS 103 -2.888 21.997 12.576 765 HD2 HIS 103 HD2 HIS 103 -0.151 19.307 14.205 766 HE1 HIS 103 HE1 HIS 103 -0.794 23.326 13.091 767 HE2 HIS 103 HE2 HIS 103 0.881 21.697 14.083 768 H LEU 104 H LEU 104 -1.350 16.853 15.763 769 HA LEU 104 HA LEU 104 0.434 15.836 13.799 770 HB2 LEU 104 HB3 LEU 104 1.382 14.555 15.673 771 HB3 LEU 104 HB2 LEU 104 1.113 16.245 16.083 772 HG LEU 104 HG LEU 104 -1.263 15.249 16.935 773 HD11 LEU 104 HD11 LEU 104 -0.485 12.906 16.265 774 HD12 LEU 104 HD12 LEU 104 -1.046 13.078 17.924 775 HD13 LEU 104 HD13 LEU 104 0.681 13.015 17.580 776 HD21 LEU 104 HD21 LEU 104 0.512 16.539 18.224 777 HD22 LEU 104 HD22 LEU 104 1.240 14.983 18.623 778 HD23 LEU 104 HD23 LEU 104 -0.394 15.357 19.169 779 H GLY 105 H GLY 105 -2.642 14.765 14.974 780 HA2 GLY 105 HA3 GLY 105 -2.273 12.176 13.578 781 HA3 GLY 105 HA2 GLY 105 -3.180 12.346 15.073 782 H HIS 106 H HIS 106 -4.063 11.321 12.497 783 HA HIS 106 HA HIS 106 -6.311 13.176 11.970 784 HB2 HIS 106 HB3 HIS 106 -4.717 11.500 10.024 785 HB3 HIS 106 HB2 HIS 106 -6.338 12.076 9.648 786 HD1 HIS 106 HD1 HIS 106 -2.996 13.528 10.795 787 HD2 HIS 106 HD2 HIS 106 -6.345 14.616 8.546 788 HE1 HIS 106 HE1 HIS 106 -2.495 15.811 9.818 789 HE2 HIS 106 HE2 HIS 106 -4.526 16.489 8.454 790 H VAL 107 H VAL 107 -8.301 12.113 11.334 791 HA VAL 107 HA VAL 107 -8.502 9.300 12.205 792 HB VAL 107 HB VAL 107 -9.386 10.799 13.941 793 HG11 VAL 107 HG11 VAL 107 -11.526 11.691 12.015 794 HG12 VAL 107 HG12 VAL 107 -10.035 12.608 12.218 795 HG13 VAL 107 HG13 VAL 107 -11.112 12.368 13.590 796 HG21 VAL 107 HG21 VAL 107 -10.475 8.674 13.798 797 HG22 VAL 107 HG22 VAL 107 -11.422 9.182 12.399 798 HG23 VAL 107 HG23 VAL 107 -11.752 9.876 13.987 799 H PHE 108 H PHE 108 -9.859 7.980 11.019 800 HA PHE 108 HA PHE 108 -11.069 9.182 8.591 801 HB2 PHE 108 HB3 PHE 108 -8.969 7.937 8.099 802 HB3 PHE 108 HB2 PHE 108 -9.692 6.489 8.793 803 HD1 PHE 108 HD1 PHE 108 -10.011 8.995 6.059 804 HD2 PHE 108 HD2 PHE 108 -11.247 5.159 7.548 805 HE1 PHE 108 HE1 PHE 108 -11.092 8.497 3.883 806 HE2 PHE 108 HE2 PHE 108 -12.326 4.661 5.372 807 HZ PHE 108 HZ PHE 108 -12.248 6.331 3.539 808 H ALA 109 H ALA 109 -13.182 8.917 8.511 809 HA ALA 109 HA ALA 109 -14.549 7.026 10.237 810 HB1 ALA 109 HB1 ALA 109 -15.638 9.111 10.095 811 HB2 ALA 109 HB2 ALA 109 -16.596 8.056 9.055 812 HB3 ALA 109 HB3 ALA 109 -15.447 9.190 8.344 813 H GLY 110 H GLY 110 -16.292 5.629 9.346 814 HA2 GLY 110 HA3 GLY 110 -17.105 4.016 7.905 815 HA3 GLY 110 HA2 GLY 110 -16.280 4.848 6.593 816 H GLU 111 H GLU 111 -14.715 3.628 9.506 817 HA GLU 111 HA GLU 111 -12.722 2.222 8.015 818 HB2 GLU 111 HB3 GLU 111 -12.353 3.260 10.261 819 HB3 GLU 111 HB2 GLU 111 -13.369 2.004 10.966 820 HG2 GLU 111 HG3 GLU 111 -11.833 0.270 10.105 821 HG3 GLU 111 HG2 GLU 111 -10.820 1.516 9.391 822 H GLY 112 H GLY 112 -15.764 1.293 9.513 823 HA2 GLY 112 HA3 GLY 112 -16.990 -0.662 9.338 824 HA3 GLY 112 HA2 GLY 112 -15.820 -1.225 8.150 825 H TYR 113 H TYR 113 -14.905 -0.175 11.360 826 HA TYR 113 HA TYR 113 -13.764 -2.795 11.930 827 HB2 TYR 113 HB3 TYR 113 -12.660 -0.447 12.316 828 HB3 TYR 113 HB2 TYR 113 -13.623 -0.436 13.791 829 HD1 TYR 113 HD1 TYR 113 -11.059 -2.365 11.898 830 HD2 TYR 113 HD2 TYR 113 -12.981 -1.741 15.689 831 HE1 TYR 113 HE1 TYR 113 -9.377 -3.822 12.990 832 HE2 TYR 113 HE2 TYR 113 -11.299 -3.199 16.780 833 HH TYR 113 HH TYR 113 -8.450 -4.270 15.128 834 H ASP 114 H ASP 114 -16.768 -1.969 12.103 835 HA ASP 114 HA ASP 114 -18.572 -2.577 13.334 836 HB2 ASP 114 HB3 ASP 114 -17.222 -4.752 13.390 837 HB3 ASP 114 HB2 ASP 114 -16.721 -4.277 15.007 838 H THR 115 H THR 115 -17.665 -0.178 13.964 839 HA THR 115 HA THR 115 -17.867 -0.029 16.897 840 HB THR 115 HB THR 115 -16.685 2.329 16.341 841 HG1 THR 115 HG1 THR 115 -15.099 1.959 14.752 842 HG21 THR 115 HG21 THR 115 -14.432 0.987 16.656 843 HG22 THR 115 HG22 THR 115 -15.525 -0.356 16.986 844 HG23 THR 115 HG23 THR 115 -15.603 1.113 17.968 845 HA PRO 116 HA PRO 116 -21.472 2.483 16.274 846 HB2 PRO 116 HB3 PRO 116 -21.241 4.323 18.313 847 HB3 PRO 116 HB2 PRO 116 -21.770 2.646 18.546 848 HG2 PRO 116 HG3 PRO 116 -19.075 3.855 18.982 849 HG3 PRO 116 HG2 PRO 116 -19.964 2.684 19.975 850 HD2 PRO 116 HD3 PRO 116 -17.966 1.931 18.320 851 HD3 PRO 116 HD2 PRO 116 -19.376 0.890 18.605 852 H THR 117 H THR 117 -18.331 4.006 16.401 853 HA THR 117 HA THR 117 -19.357 6.417 15.028 854 HB THR 117 HB THR 117 -17.254 7.484 15.678 855 HG1 THR 117 HG1 THR 117 -16.045 5.494 15.580 856 HG21 THR 117 HG21 THR 117 -19.303 6.807 17.429 857 HG22 THR 117 HG22 THR 117 -17.997 7.937 17.774 858 HG23 THR 117 HG23 THR 117 -17.857 6.254 18.277 859 H ASP 118 H ASP 118 -17.403 3.592 14.617 860 HA ASP 118 HA ASP 118 -16.167 2.767 12.861 861 HB2 ASP 118 HB3 ASP 118 -17.976 4.621 11.291 862 HB3 ASP 118 HB2 ASP 118 -17.027 3.300 10.613 863 H LEU 119 H LEU 119 -14.975 4.883 14.269 864 HA LEU 119 HA LEU 119 -13.653 6.524 12.210 865 HB2 LEU 119 HB3 LEU 119 -13.719 6.752 15.225 866 HB3 LEU 119 HB2 LEU 119 -12.767 7.796 14.175 867 HG LEU 119 HG LEU 119 -15.765 7.467 13.888 868 HD11 LEU 119 HD11 LEU 119 -15.016 8.414 16.124 869 HD12 LEU 119 HD12 LEU 119 -16.027 9.490 15.160 870 HD13 LEU 119 HD13 LEU 119 -14.282 9.741 15.226 871 HD21 LEU 119 HD21 LEU 119 -13.705 9.413 12.795 872 HD22 LEU 119 HD22 LEU 119 -15.442 9.717 12.721 873 HD23 LEU 119 HD23 LEU 119 -14.752 8.331 11.875 874 H ARG 120 H ARG 120 -11.452 6.521 11.928 875 HA ARG 120 HA ARG 120 -9.934 4.423 13.359 876 HB2 ARG 120 HB3 ARG 120 -10.479 3.864 10.956 877 HB3 ARG 120 HB2 ARG 120 -9.498 5.248 10.482 878 HG2 ARG 120 HG3 ARG 120 -7.552 4.282 11.641 879 HG3 ARG 120 HG2 ARG 120 -8.528 2.898 12.135 880 HD2 ARG 120 HD3 ARG 120 -8.932 2.354 9.751 881 HD3 ARG 120 HD2 ARG 120 -7.907 3.708 9.281 882 HE ARG 120 HE ARG 120 -6.446 2.051 11.032 883 HH11 ARG 120 HH11 ARG 120 -7.784 1.955 7.792 884 HH12 ARG 120 HH12 ARG 120 -6.589 0.845 7.209 885 HH21 ARG 120 HH21 ARG 120 -4.916 0.611 10.230 886 HH22 ARG 120 HH22 ARG 120 -4.979 0.092 8.579 887 H TYR 121 H TYR 121 -9.371 6.174 14.837 888 HA TYR 121 HA TYR 121 -7.909 8.471 14.023 889 HB2 TYR 121 HB3 TYR 121 -8.028 6.980 16.648 890 HB3 TYR 121 HB2 TYR 121 -7.207 8.522 16.431 891 HD1 TYR 121 HD1 TYR 121 -10.493 6.819 16.259 892 HD2 TYR 121 HD2 TYR 121 -8.439 10.579 16.354 893 HE1 TYR 121 HE1 TYR 121 -12.643 7.966 16.651 894 HE2 TYR 121 HE2 TYR 121 -10.595 11.745 16.724 895 HH TYR 121 HH TYR 121 -13.521 10.014 17.447 896 H CYS 122 H CYS 122 -6.059 8.232 12.890 897 HA CYS 122 HA CYS 122 -4.144 6.126 13.624 898 HB2 CYS 122 HB3 CYS 122 -4.682 6.380 11.224 899 HB3 CYS 122 HB2 CYS 122 -4.167 8.065 11.286 900 HG CYS 122 HG CYS 122 -1.780 6.836 12.175 901 H ILE 123 H ILE 123 -3.419 7.000 15.581 902 HA ILE 123 HA ILE 123 -1.649 9.332 15.279 903 HB ILE 123 HB ILE 123 -3.452 9.117 17.696 904 HG12 ILE 123 HG13 ILE 123 -4.028 10.618 15.099 905 HG13 ILE 123 HG12 ILE 123 -4.951 9.279 15.739 906 HG21 ILE 123 HG21 ILE 123 -2.864 11.532 17.849 907 HG22 ILE 123 HG22 ILE 123 -1.885 11.365 16.394 908 HG23 ILE 123 HG23 ILE 123 -1.434 10.501 17.862 909 HD11 ILE 123 HD11 ILE 123 -5.226 10.824 17.853 910 HD12 ILE 123 HD12 ILE 123 -6.246 11.084 16.438 911 HD13 ILE 123 HD13 ILE 123 -4.839 12.119 16.716 912 H ASN 124 H ASN 124 0.047 9.446 16.771 913 HA ASN 124 HA ASN 124 0.500 6.989 18.363 914 HB2 ASN 124 HB3 ASN 124 2.465 8.673 16.813 915 HB3 ASN 124 HB2 ASN 124 2.954 7.489 18.015 916 HD21 ASN 124 HD21 ASN 124 3.732 7.208 15.297 917 HD22 ASN 124 HD22 ASN 124 2.939 5.858 14.642 918 H SER 125 H SER 125 1.763 7.271 20.290 919 HA SER 125 HA SER 125 1.138 9.796 21.603 920 HB2 SER 125 HB3 SER 125 2.218 7.176 22.655 921 HB3 SER 125 HB2 SER 125 1.898 8.590 23.657 922 HG SER 125 HG SER 125 0.094 6.998 22.171 923 H VAL 126 H VAL 126 2.599 11.252 20.773 924 HA VAL 126 HA VAL 126 5.440 10.746 20.751 925 HB VAL 126 HB VAL 126 4.300 12.269 19.113 926 HG11 VAL 126 HG11 VAL 126 2.940 13.393 21.097 927 HG12 VAL 126 HG12 VAL 126 3.403 14.333 19.679 928 HG13 VAL 126 HG13 VAL 126 4.343 14.467 21.165 929 HG21 VAL 126 HG21 VAL 126 6.084 14.085 19.317 930 HG22 VAL 126 HG22 VAL 126 6.675 12.423 19.288 931 HG23 VAL 126 HG23 VAL 126 6.581 13.299 20.815 932 H CYS 127 H CYS 127 4.779 10.068 23.205 933 HA CYS 127 HA CYS 127 5.409 10.336 25.388 934 HB2 CYS 127 HB3 CYS 127 7.327 11.752 24.297 935 HB3 CYS 127 HB2 CYS 127 6.401 13.131 24.889 936 HG CYS 127 HG CYS 127 7.047 10.919 26.962 937 H LEU 128 H LEU 128 2.951 10.453 25.062 938 HA LEU 128 HA LEU 128 1.720 12.969 25.883 939 HB2 LEU 128 HB3 LEU 128 0.540 11.737 24.200 940 HB3 LEU 128 HB2 LEU 128 0.649 10.238 25.112 941 HG LEU 128 HG LEU 128 -0.763 12.537 26.449 942 HD11 LEU 128 HD11 LEU 128 -1.885 11.007 24.092 943 HD12 LEU 128 HD12 LEU 128 -1.768 12.755 24.293 944 HD13 LEU 128 HD13 LEU 128 -2.903 11.829 25.275 945 HD21 LEU 128 HD21 LEU 128 -0.617 10.446 27.657 946 HD22 LEU 128 HD22 LEU 128 -1.167 9.534 26.253 947 HD23 LEU 128 HD23 LEU 128 -2.282 10.602 27.102 948 H THR 129 H THR 129 0.526 13.183 27.836 949 HA THR 129 HA THR 129 1.719 11.697 30.054 950 HB THR 129 HB THR 129 -0.205 14.044 30.075 951 HG1 THR 129 HG1 THR 129 2.615 13.833 30.188 952 HG21 THR 129 HG21 THR 129 0.910 14.318 32.397 953 HG22 THR 129 HG22 THR 129 1.391 12.633 32.215 954 HG23 THR 129 HG23 THR 129 -0.319 13.065 32.225 955 H LEU 130 H LEU 130 0.691 10.221 31.308 956 HA LEU 130 HA LEU 130 -2.096 9.586 30.614 957 HB2 LEU 130 HB3 LEU 130 -0.659 7.661 30.300 958 HB3 LEU 130 HB2 LEU 130 0.055 7.869 31.896 959 HG LEU 130 HG LEU 130 -2.202 7.430 32.919 960 HD11 LEU 130 HD11 LEU 130 -3.491 8.095 30.851 961 HD12 LEU 130 HD12 LEU 130 -4.023 6.622 31.647 962 HD13 LEU 130 HD13 LEU 130 -3.061 6.529 30.172 963 HD21 LEU 130 HD21 LEU 130 -0.576 5.596 32.625 964 HD22 LEU 130 HD22 LEU 130 -1.319 5.220 31.068 965 HD23 LEU 130 HD23 LEU 130 -2.259 5.064 32.560 966 H ILE 131 H ILE 131 -3.658 9.594 32.060 967 HA ILE 131 HA ILE 131 -3.056 10.535 34.785 968 HB ILE 131 HB ILE 131 -5.720 10.502 33.340 969 HG12 ILE 131 HG13 ILE 131 -4.230 12.132 32.261 970 HG13 ILE 131 HG12 ILE 131 -5.475 12.972 33.175 971 HG21 ILE 131 HG21 ILE 131 -6.363 10.521 35.535 972 HG22 ILE 131 HG22 ILE 131 -6.061 12.251 35.377 973 HG23 ILE 131 HG23 ILE 131 -4.839 11.202 36.118 974 HD11 ILE 131 HD11 ILE 131 -3.879 13.359 35.011 975 HD12 ILE 131 HD12 ILE 131 -3.248 14.007 33.496 976 HD13 ILE 131 HD13 ILE 131 -2.637 12.476 34.123 977 HA PRO 132 HA PRO 132 -4.026 6.201 35.709 978 HB2 PRO 132 HB3 PRO 132 -3.961 6.885 38.546 979 HB3 PRO 132 HB2 PRO 132 -2.835 5.887 37.621 980 HG2 PRO 132 HG3 PRO 132 -2.261 8.381 38.607 981 HG3 PRO 132 HG2 PRO 132 -1.408 7.598 37.272 982 HD2 PRO 132 HD3 PRO 132 -3.411 9.769 37.284 983 HD3 PRO 132 HD2 PRO 132 -2.065 9.453 36.164 984 H ALA 133 H ALA 133 -6.142 5.835 35.211 985 HA ALA 133 HA ALA 133 -8.296 7.401 36.103 986 HB1 ALA 133 HB1 ALA 133 -8.749 6.083 34.223 987 HB2 ALA 133 HB2 ALA 133 -9.685 5.302 35.498 988 HB3 ALA 133 HB3 ALA 133 -8.141 4.615 34.990 989 H GLU 134 H GLU 134 -7.264 4.183 37.351 990 HA GLU 134 HA GLU 134 -7.808 4.771 40.060 991 HB2 GLU 134 HB3 GLU 134 -10.187 4.822 39.235 992 HB3 GLU 134 HB2 GLU 134 -9.994 3.150 38.726 993 HG2 GLU 134 HG3 GLU 134 -9.532 2.474 41.041 994 HG3 GLU 134 HG2 GLU 134 -9.633 4.149 41.571 995 H GLU 135 H GLU 135 -8.417 2.077 37.820 996 HA GLU 135 HA GLU 135 -7.621 -0.059 37.707 997 HB2 GLU 135 HB3 GLU 135 -5.178 0.996 39.160 998 HB3 GLU 135 HB2 GLU 135 -5.266 -0.414 38.108 999 HG2 GLU 135 HG3 GLU 135 -4.372 1.164 36.645 1000 HG3 GLU 135 HG2 GLU 135 -6.090 1.358 36.313 1001 H SER 136 H SER 136 -9.404 0.323 39.648 1002 HA SER 136 HA SER 136 -8.621 -1.663 41.638 1003 HB2 SER 136 HB3 SER 136 -9.774 0.992 42.510 1004 HB3 SER 136 HB2 SER 136 -9.277 -0.343 43.545 1005 HG SER 136 HG SER 136 -7.656 1.247 43.415 Start of MODEL 11 1 H MET 1 H1 MET 1 -2.939 27.104 33.388 2 HA MET 1 HA MET 1 -4.426 29.228 33.579 3 HB2 MET 1 HB3 MET 1 -2.603 28.430 31.299 4 HB3 MET 1 HB2 MET 1 -3.209 30.074 31.495 5 HG2 MET 1 HG3 MET 1 -2.220 30.174 33.753 6 HG3 MET 1 HG2 MET 1 -1.614 28.528 33.562 7 HE1 MET 1 HE1 MET 1 1.308 31.209 33.450 8 HE2 MET 1 HE2 MET 1 1.096 29.549 33.999 9 HE3 MET 1 HE3 MET 1 -0.073 30.780 34.469 10 H THR 2 H THR 2 -5.185 30.604 31.484 11 HA THR 2 HA THR 2 -7.347 29.033 30.203 12 HB THR 2 HB THR 2 -7.355 31.963 30.997 13 HG1 THR 2 HG1 THR 2 -7.840 31.100 32.843 14 HG21 THR 2 HG21 THR 2 -8.735 31.346 28.976 15 HG22 THR 2 HG22 THR 2 -9.683 31.953 30.333 16 HG23 THR 2 HG23 THR 2 -9.628 30.221 29.999 17 H ASN 3 H ASN 3 -7.409 29.027 28.039 18 HA ASN 3 HA ASN 3 -6.889 29.441 25.846 19 HB2 ASN 3 HB3 ASN 3 -7.743 31.774 26.610 20 HB3 ASN 3 HB2 ASN 3 -6.045 32.231 26.589 21 HD21 ASN 3 HD21 ASN 3 -6.365 33.659 24.747 22 HD22 ASN 3 HD22 ASN 3 -6.644 33.040 23.194 23 H PHE 4 H PHE 4 -5.181 28.204 25.383 24 HA PHE 4 HA PHE 4 -2.517 28.757 26.362 25 HB2 PHE 4 HB3 PHE 4 -3.595 26.740 24.382 26 HB3 PHE 4 HB2 PHE 4 -1.912 26.807 24.902 27 HD1 PHE 4 HD1 PHE 4 -5.386 26.146 25.967 28 HD2 PHE 4 HD2 PHE 4 -1.255 26.130 27.146 29 HE1 PHE 4 HE1 PHE 4 -5.968 24.839 27.993 30 HE2 PHE 4 HE2 PHE 4 -1.838 24.826 29.172 31 HZ PHE 4 HZ PHE 4 -4.194 24.180 29.596 32 H LYS 5 H LYS 5 -4.350 29.943 23.773 33 HA LYS 5 HA LYS 5 -2.451 30.145 21.688 34 HB2 LYS 5 HB3 LYS 5 -4.768 31.998 22.326 35 HB3 LYS 5 HB2 LYS 5 -3.944 31.866 20.776 36 HG2 LYS 5 HG3 LYS 5 -5.403 29.571 22.118 37 HG3 LYS 5 HG2 LYS 5 -6.125 30.608 20.893 38 HD2 LYS 5 HD3 LYS 5 -4.563 29.865 19.221 39 HD3 LYS 5 HD2 LYS 5 -3.582 29.026 20.424 40 HE2 LYS 5 HE3 LYS 5 -4.945 27.370 19.326 41 HE3 LYS 5 HE2 LYS 5 -5.578 27.605 20.959 42 HZ1 LYS 5 HZ1 LYS 5 -7.417 27.628 19.499 43 HZ2 LYS 5 HZ2 LYS 5 -6.657 28.700 18.423 44 HZ3 LYS 5 HZ3 LYS 5 -7.156 29.242 19.954 45 H LEU 6 H LEU 6 -3.180 32.175 24.458 46 HA LEU 6 HA LEU 6 -1.643 34.434 23.652 47 HB2 LEU 6 HB3 LEU 6 -2.543 33.608 26.424 48 HB3 LEU 6 HB2 LEU 6 -1.970 35.205 25.959 49 HG LEU 6 HG LEU 6 -4.435 33.831 24.832 50 HD11 LEU 6 HD11 LEU 6 -4.821 34.465 27.127 51 HD12 LEU 6 HD12 LEU 6 -5.631 35.647 26.099 52 HD13 LEU 6 HD13 LEU 6 -4.094 36.050 26.865 53 HD21 LEU 6 HD21 LEU 6 -3.131 36.506 24.294 54 HD22 LEU 6 HD22 LEU 6 -4.864 36.280 24.039 55 HD23 LEU 6 HD23 LEU 6 -3.706 35.305 23.135 56 H ILE 7 H ILE 7 -0.720 31.387 24.912 57 HA ILE 7 HA ILE 7 1.513 32.060 26.485 58 HB ILE 7 HB ILE 7 1.028 29.593 24.790 59 HG12 ILE 7 HG13 ILE 7 0.608 30.019 27.765 60 HG13 ILE 7 HG12 ILE 7 -0.682 30.175 26.575 61 HG21 ILE 7 HG21 ILE 7 3.383 29.686 25.360 62 HG22 ILE 7 HG22 ILE 7 2.630 28.547 26.473 63 HG23 ILE 7 HG23 ILE 7 3.018 30.181 27.012 64 HD11 ILE 7 HD11 ILE 7 -0.583 27.904 27.639 65 HD12 ILE 7 HD12 ILE 7 1.018 27.696 26.923 66 HD13 ILE 7 HD13 ILE 7 -0.396 27.865 25.884 67 H THR 8 H THR 8 3.638 32.348 26.039 68 HA THR 8 HA THR 8 4.317 33.357 23.416 69 HB THR 8 HB THR 8 6.459 33.952 24.489 70 HG1 THR 8 HG1 THR 8 5.335 32.909 26.850 71 HG21 THR 8 HG21 THR 8 4.029 34.678 26.145 72 HG22 THR 8 HG22 THR 8 4.540 35.493 24.666 73 HG23 THR 8 HG23 THR 8 5.551 35.569 26.108 74 H ASP 9 H ASP 9 6.449 32.714 22.452 75 HA ASP 9 HA ASP 9 6.432 29.955 21.868 76 HB2 ASP 9 HB3 ASP 9 8.531 30.416 20.632 77 HB3 ASP 9 HB2 ASP 9 7.258 31.570 20.249 78 H THR 10 H THR 10 8.491 31.912 23.987 79 HA THR 10 HA THR 10 10.374 29.904 24.629 80 HB THR 10 HB THR 10 9.455 32.245 26.331 81 HG1 THR 10 HG1 THR 10 10.411 33.314 24.810 82 HG21 THR 10 HG21 THR 10 12.164 30.910 26.383 83 HG22 THR 10 HG22 THR 10 10.852 30.323 27.404 84 HG23 THR 10 HG23 THR 10 11.443 31.975 27.589 85 H GLU 11 H GLU 11 7.320 30.872 26.172 86 HA GLU 11 HA GLU 11 7.414 29.132 28.380 87 HB2 GLU 11 HB3 GLU 11 5.098 30.287 26.838 88 HB3 GLU 11 HB2 GLU 11 4.889 29.350 28.310 89 HG2 GLU 11 HG3 GLU 11 6.645 31.809 28.135 90 HG3 GLU 11 HG2 GLU 11 4.957 31.866 28.632 91 H TRP 12 H TRP 12 6.239 28.651 25.069 92 HA TRP 12 HA TRP 12 5.098 26.093 25.457 93 HB2 TRP 12 HB3 TRP 12 6.098 27.623 23.081 94 HB3 TRP 12 HB2 TRP 12 5.709 25.916 22.897 95 HD1 TRP 12 HD1 TRP 12 4.134 29.228 22.770 96 HE1 TRP 12 HE1 TRP 12 1.564 29.012 22.805 97 HE3 TRP 12 HE3 TRP 12 3.690 24.374 24.263 98 HZ2 TRP 12 HZ2 TRP 12 -0.420 27.026 23.390 99 HZ3 TRP 12 HZ3 TRP 12 1.462 23.347 24.549 100 HH2 TRP 12 HH2 TRP 12 -0.593 24.656 24.114 101 H ARG 13 H ARG 13 8.390 27.107 24.581 102 HA ARG 13 HA ARG 13 9.420 24.522 24.055 103 HB2 ARG 13 HB3 ARG 13 10.750 27.091 24.916 104 HB3 ARG 13 HB2 ARG 13 11.648 25.629 24.507 105 HG2 ARG 13 HG3 ARG 13 10.606 25.611 22.271 106 HG3 ARG 13 HG2 ARG 13 9.708 27.073 22.678 107 HD2 ARG 13 HD3 ARG 13 11.822 28.291 23.005 108 HD3 ARG 13 HD2 ARG 13 12.728 26.832 22.618 109 HE ARG 13 HE ARG 13 10.956 27.384 20.492 110 HH11 ARG 13 HH11 ARG 13 13.842 28.724 21.964 111 HH12 ARG 13 HH12 ARG 13 14.400 29.441 20.489 112 HH21 ARG 13 HH21 ARG 13 11.724 28.323 18.597 113 HH22 ARG 13 HH22 ARG 13 13.209 29.215 18.600 114 H GLN 14 H GLN 14 9.241 26.469 26.991 115 HA GLN 14 HA GLN 14 10.531 24.382 28.581 116 HB2 GLN 14 HB3 GLN 14 10.131 26.047 30.486 117 HB3 GLN 14 HB2 GLN 14 11.258 26.530 29.225 118 HG2 GLN 14 HG3 GLN 14 10.007 28.303 28.639 119 HG3 GLN 14 HG2 GLN 14 8.530 27.361 28.579 120 HE21 GLN 14 HE21 GLN 14 8.854 30.065 29.675 121 HE22 GLN 14 HE22 GLN 14 8.392 29.973 31.303 122 H ARG 15 H ARG 15 7.491 24.704 27.426 123 HA ARG 15 HA ARG 15 6.053 23.942 29.867 124 HB2 ARG 15 HB3 ARG 15 5.340 24.936 27.160 125 HB3 ARG 15 HB2 ARG 15 4.191 23.818 27.883 126 HG2 ARG 15 HG3 ARG 15 3.820 25.237 29.744 127 HG3 ARG 15 HG2 ARG 15 5.228 26.234 29.379 128 HD2 ARG 15 HD3 ARG 15 4.167 27.053 27.355 129 HD3 ARG 15 HD2 ARG 15 2.800 25.969 27.586 130 HE ARG 15 HE ARG 15 3.318 28.458 29.019 131 HH11 ARG 15 HH11 ARG 15 1.487 25.469 28.924 132 HH12 ARG 15 HH12 ARG 15 0.228 26.075 29.946 133 HH21 ARG 15 HH21 ARG 15 1.658 29.201 30.343 134 HH22 ARG 15 HH22 ARG 15 0.325 28.169 30.740 135 H LEU 16 H LEU 16 6.927 22.657 26.694 136 HA LEU 16 HA LEU 16 6.316 19.944 27.663 137 HB2 LEU 16 HB3 LEU 16 5.518 19.549 25.177 138 HB3 LEU 16 HB2 LEU 16 4.410 20.161 26.389 139 HG LEU 16 HG LEU 16 4.977 22.511 25.579 140 HD11 LEU 16 HD11 LEU 16 6.011 22.713 23.357 141 HD12 LEU 16 HD12 LEU 16 6.273 20.969 23.314 142 HD13 LEU 16 HD13 LEU 16 7.119 21.959 24.503 143 HD21 LEU 16 HD21 LEU 16 3.760 22.024 23.240 144 HD22 LEU 16 HD22 LEU 16 2.912 21.885 24.773 145 HD23 LEU 16 HD23 LEU 16 3.523 20.437 23.977 146 H SER 17 H SER 17 7.018 18.309 25.908 147 HA SER 17 HA SER 17 9.813 18.319 25.758 148 HB2 SER 17 HB3 SER 17 8.151 16.357 25.593 149 HB3 SER 17 HB2 SER 17 8.033 16.771 23.883 150 HG SER 17 HG SER 17 10.477 16.300 25.252 151 H SER 18 H SER 18 11.179 18.345 23.872 152 HA SER 18 HA SER 18 10.845 20.608 22.250 153 HB2 SER 18 HB3 SER 18 13.051 19.644 22.720 154 HB3 SER 18 HB2 SER 18 12.619 18.199 21.810 155 HG SER 18 HG SER 18 13.835 19.998 20.720 156 H GLU 19 H GLU 19 10.257 17.190 21.630 157 HA GLU 19 HA GLU 19 9.549 17.464 18.900 158 HB2 GLU 19 HB3 GLU 19 8.397 15.229 19.264 159 HB3 GLU 19 HB2 GLU 19 10.115 15.275 19.633 160 HG2 GLU 19 HG3 GLU 19 8.304 15.892 21.915 161 HG3 GLU 19 HG2 GLU 19 8.238 14.241 21.317 162 H GLU 20 H GLU 20 7.662 17.606 21.892 163 HA GLU 20 HA GLU 20 5.086 17.691 20.780 164 HB2 GLU 20 HB3 GLU 20 6.232 18.869 23.318 165 HB3 GLU 20 HB2 GLU 20 4.514 18.903 22.928 166 HG2 GLU 20 HG3 GLU 20 6.099 16.330 22.944 167 HG3 GLU 20 HG2 GLU 20 5.339 16.960 24.399 168 H TYR 21 H TYR 21 7.491 20.206 21.413 169 HA TYR 21 HA TYR 21 5.904 22.473 20.962 170 HB2 TYR 21 HB3 TYR 21 8.160 22.509 21.973 171 HB3 TYR 21 HB2 TYR 21 8.864 22.079 20.418 172 HD1 TYR 21 HD1 TYR 21 7.401 24.765 22.437 173 HD2 TYR 21 HD2 TYR 21 8.786 23.673 18.518 174 HE1 TYR 21 HE1 TYR 21 7.458 27.156 21.786 175 HE2 TYR 21 HE2 TYR 21 8.847 26.065 17.872 176 HH TYR 21 HH TYR 21 7.284 28.394 19.305 177 H ARG 22 H ARG 22 8.045 20.760 18.612 178 HA ARG 22 HA ARG 22 7.192 22.422 16.431 179 HB2 ARG 22 HB3 ARG 22 8.588 21.051 15.032 180 HB3 ARG 22 HB2 ARG 22 9.438 21.337 16.544 181 HG2 ARG 22 HG3 ARG 22 8.552 19.084 17.340 182 HG3 ARG 22 HG2 ARG 22 8.004 18.806 15.678 183 HD2 ARG 22 HD3 ARG 22 10.318 19.141 14.872 184 HD3 ARG 22 HD2 ARG 22 10.858 19.401 16.526 185 HE ARG 22 HE ARG 22 10.645 17.103 16.935 186 HH11 ARG 22 HH11 ARG 22 9.371 17.890 13.762 187 HH12 ARG 22 HH12 ARG 22 9.289 16.237 13.262 188 HH21 ARG 22 HH21 ARG 22 10.511 14.972 16.245 189 HH22 ARG 22 HH22 ARG 22 9.928 14.596 14.659 190 H VAL 23 H VAL 23 6.398 19.180 17.525 191 HA VAL 23 HA VAL 23 4.818 18.371 15.352 192 HB VAL 23 HB VAL 23 4.890 17.569 18.268 193 HG11 VAL 23 HG11 VAL 23 3.708 15.453 17.376 194 HG12 VAL 23 HG12 VAL 23 3.230 16.455 16.005 195 HG13 VAL 23 HG13 VAL 23 2.714 16.886 17.634 196 HG21 VAL 23 HG21 VAL 23 6.178 15.705 17.456 197 HG22 VAL 23 HG22 VAL 23 6.859 17.158 16.722 198 HG23 VAL 23 HG23 VAL 23 5.807 16.107 15.779 199 H LEU 24 H LEU 24 3.899 19.942 18.409 200 HA LEU 24 HA LEU 24 1.115 20.075 17.805 201 HB2 LEU 24 HB3 LEU 24 2.843 21.527 19.818 202 HB3 LEU 24 HB2 LEU 24 1.088 21.687 19.747 203 HG LEU 24 HG LEU 24 2.479 19.004 20.000 204 HD11 LEU 24 HD11 LEU 24 1.426 20.857 22.154 205 HD12 LEU 24 HD12 LEU 24 3.089 20.311 21.939 206 HD13 LEU 24 HD13 LEU 24 1.840 19.163 22.421 207 HD21 LEU 24 HD21 LEU 24 0.250 18.666 19.275 208 HD22 LEU 24 HD22 LEU 24 -0.369 19.998 20.252 209 HD23 LEU 24 HD23 LEU 24 0.135 18.494 21.027 210 H ARG 25 H ARG 25 3.837 22.285 17.394 211 HA ARG 25 HA ARG 25 2.343 24.594 16.812 212 HB2 ARG 25 HB3 ARG 25 4.711 24.623 17.485 213 HB3 ARG 25 HB2 ARG 25 5.155 23.907 15.938 214 HG2 ARG 25 HG3 ARG 25 4.223 25.871 14.761 215 HG3 ARG 25 HG2 ARG 25 3.764 26.582 16.308 216 HD2 ARG 25 HD3 ARG 25 6.130 26.617 16.999 217 HD3 ARG 25 HD2 ARG 25 6.594 25.897 15.460 218 HE ARG 25 HE ARG 25 5.108 28.235 14.937 219 HH11 ARG 25 HH11 ARG 25 8.212 27.308 16.277 220 HH12 ARG 25 HH12 ARG 25 8.983 28.788 15.812 221 HH21 ARG 25 HH21 ARG 25 6.149 30.140 14.352 222 HH22 ARG 25 HH22 ARG 25 7.822 30.378 14.731 223 H GLU 26 H GLU 26 3.927 22.305 14.535 224 HA GLU 26 HA GLU 26 2.078 23.289 12.447 225 HB2 GLU 26 HB3 GLU 26 3.942 23.271 10.825 226 HB3 GLU 26 HB2 GLU 26 4.194 24.432 12.126 227 HG2 GLU 26 HG3 GLU 26 5.618 22.756 13.307 228 HG3 GLU 26 HG2 GLU 26 5.420 21.660 11.944 229 H ALA 27 H ALA 27 2.317 20.664 14.074 230 HA ALA 27 HA ALA 27 2.021 18.403 13.660 231 HB1 ALA 27 HB1 ALA 27 0.650 17.843 11.863 232 HB2 ALA 27 HB2 ALA 27 1.424 18.994 10.778 233 HB3 ALA 27 HB3 ALA 27 0.308 19.564 12.015 234 H GLY 28 H GLY 28 4.593 19.166 13.661 235 HA2 GLY 28 HA3 GLY 28 6.163 18.738 11.395 236 HA3 GLY 28 HA2 GLY 28 6.710 18.533 13.051 237 H THR 29 H THR 29 5.058 16.399 13.857 238 HA THR 29 HA THR 29 4.925 14.201 12.112 239 HB THR 29 HB THR 29 7.046 13.069 13.492 240 HG1 THR 29 HG1 THR 29 8.738 14.551 13.326 241 HG21 THR 29 HG21 THR 29 6.402 13.412 10.850 242 HG22 THR 29 HG22 THR 29 7.901 12.683 11.421 243 HG23 THR 29 HG23 THR 29 7.867 14.387 10.977 244 H GLU 30 H GLU 30 5.320 12.036 13.668 245 HA GLU 30 HA GLU 30 4.276 12.526 16.345 246 HB2 GLU 30 HB3 GLU 30 2.340 11.006 16.008 247 HB3 GLU 30 HB2 GLU 30 2.224 12.459 15.025 248 HG2 GLU 30 HG3 GLU 30 3.556 10.104 13.753 249 HG3 GLU 30 HG2 GLU 30 1.823 9.983 14.025 250 H ALA 31 H ALA 31 6.657 11.686 16.267 251 HA ALA 31 HA ALA 31 6.774 8.756 16.083 252 HB1 ALA 31 HB1 ALA 31 8.548 9.986 14.952 253 HB2 ALA 31 HB2 ALA 31 9.206 9.062 16.303 254 HB3 ALA 31 HB3 ALA 31 8.967 10.803 16.458 255 HA PRO 32 HA PRO 32 6.471 8.804 20.628 256 HB2 PRO 32 HB3 PRO 32 5.996 6.166 20.951 257 HB3 PRO 32 HB2 PRO 32 4.753 7.278 20.338 258 HG2 PRO 32 HG3 PRO 32 6.548 5.443 18.802 259 HG3 PRO 32 HG2 PRO 32 4.808 5.700 18.629 260 HD2 PRO 32 HD3 PRO 32 6.634 6.867 17.015 261 HD3 PRO 32 HD2 PRO 32 5.083 7.627 17.427 262 H HIS 33 H HIS 33 7.415 6.788 22.199 263 HA HIS 33 HA HIS 33 9.294 5.941 23.179 264 HB2 HIS 33 HB3 HIS 33 10.127 5.619 20.292 265 HB3 HIS 33 HB2 HIS 33 11.045 4.980 21.655 266 HD1 HIS 33 HD1 HIS 33 9.948 3.053 23.044 267 HD2 HIS 33 HD2 HIS 33 7.727 4.238 19.732 268 HE1 HIS 33 HE1 HIS 33 8.180 1.272 22.696 269 HE2 HIS 33 HE2 HIS 33 6.817 1.978 20.673 270 H THR 34 H THR 34 9.060 8.767 22.875 271 HA THR 34 HA THR 34 11.898 9.587 22.669 272 HB THR 34 HB THR 34 11.037 11.878 22.300 273 HG1 THR 34 HG1 THR 34 9.062 12.124 22.950 274 HG21 THR 34 HG21 THR 34 11.510 10.263 20.411 275 HG22 THR 34 HG22 THR 34 10.360 11.542 20.017 276 HG23 THR 34 HG23 THR 34 9.781 9.913 20.370 277 H GLY 35 H GLY 35 9.892 8.607 24.986 278 HA2 GLY 35 HA3 GLY 35 11.088 10.348 27.007 279 HA3 GLY 35 HA2 GLY 35 9.328 10.255 26.961 280 H GLU 36 H GLU 36 11.933 9.065 28.481 281 HA GLU 36 HA GLU 36 11.291 6.269 28.648 282 HB2 GLU 36 HB3 GLU 36 13.073 6.193 30.281 283 HB3 GLU 36 HB2 GLU 36 13.553 7.175 28.903 284 HG2 GLU 36 HG3 GLU 36 12.975 9.227 30.162 285 HG3 GLU 36 HG2 GLU 36 12.537 8.240 31.549 286 H TYR 37 H TYR 37 10.325 9.109 30.335 287 HA TYR 37 HA TYR 37 9.449 7.867 32.763 288 HB2 TYR 37 HB3 TYR 37 8.821 10.551 31.525 289 HB3 TYR 37 HB2 TYR 37 8.277 10.054 33.127 290 HD1 TYR 37 HD1 TYR 37 11.154 11.051 31.081 291 HD2 TYR 37 HD2 TYR 37 9.891 9.682 34.952 292 HE1 TYR 37 HE1 TYR 37 13.353 11.698 32.027 293 HE2 TYR 37 HE2 TYR 37 12.091 10.330 35.898 294 HH TYR 37 HH TYR 37 14.364 12.232 34.129 295 H THR 38 H THR 38 8.017 8.264 29.620 296 HA THR 38 HA THR 38 5.302 7.844 30.600 297 HB THR 38 HB THR 38 5.614 9.379 28.728 298 HG1 THR 38 HG1 THR 38 3.706 8.183 28.780 299 HG21 THR 38 HG21 THR 38 7.024 7.017 27.522 300 HG22 THR 38 HG22 THR 38 7.460 8.727 27.486 301 HG23 THR 38 HG23 THR 38 6.157 8.128 26.461 302 H ASN 39 H ASN 39 6.982 5.753 31.321 303 HA ASN 39 HA ASN 39 6.333 3.543 29.490 304 HB2 ASN 39 HB3 ASN 39 7.948 2.239 30.725 305 HB3 ASN 39 HB2 ASN 39 8.674 3.785 30.300 306 HD21 ASN 39 HD21 ASN 39 9.616 2.171 32.500 307 HD22 ASN 39 HD22 ASN 39 9.325 3.025 33.938 308 H THR 40 H THR 40 4.570 5.022 31.663 309 HA THR 40 HA THR 40 3.901 3.134 33.651 310 HB THR 40 HB THR 40 2.140 5.273 32.415 311 HG1 THR 40 HG1 THR 40 4.002 6.199 33.169 312 HG21 THR 40 HG21 THR 40 1.986 3.618 34.930 313 HG22 THR 40 HG22 THR 40 0.710 4.006 33.775 314 HG23 THR 40 HG23 THR 40 1.291 5.239 34.890 315 H THR 41 H THR 41 2.670 1.354 33.628 316 HA THR 41 HA THR 41 1.505 0.484 31.082 317 HB THR 41 HB THR 41 1.311 -1.718 32.186 318 HG1 THR 41 HG1 THR 41 2.288 -1.886 34.273 319 HG21 THR 41 HG21 THR 41 3.364 -1.376 31.035 320 HG22 THR 41 HG22 THR 41 3.818 -2.019 32.614 321 HG23 THR 41 HG23 THR 41 3.972 -0.292 32.286 322 H THR 42 H THR 42 0.405 2.096 33.817 323 HA THR 42 HA THR 42 -2.074 0.839 34.338 324 HB THR 42 HB THR 42 -1.437 3.782 34.624 325 HG1 THR 42 HG1 THR 42 -0.631 3.217 36.633 326 HG21 THR 42 HG21 THR 42 -3.205 2.056 36.353 327 HG22 THR 42 HG22 THR 42 -3.831 2.886 34.929 328 HG23 THR 42 HG23 THR 42 -3.149 3.814 36.263 329 H GLU 43 H GLU 43 -4.107 1.178 33.502 330 HA GLU 43 HA GLU 43 -4.231 2.642 30.935 331 HB2 GLU 43 HB3 GLU 43 -5.882 0.303 31.937 332 HB3 GLU 43 HB2 GLU 43 -6.172 1.160 30.424 333 HG2 GLU 43 HG3 GLU 43 -4.856 -0.579 29.648 334 HG3 GLU 43 HG2 GLU 43 -3.603 0.604 29.995 335 H GLY 44 H GLY 44 -4.930 4.624 31.466 336 HA2 GLY 44 HA3 GLY 44 -7.477 4.801 32.949 337 HA3 GLY 44 HA2 GLY 44 -6.129 5.853 33.341 338 H ILE 45 H ILE 45 -5.982 7.731 32.369 339 HA ILE 45 HA ILE 45 -7.598 8.203 29.933 340 HB ILE 45 HB ILE 45 -7.163 10.063 32.289 341 HG12 ILE 45 HG13 ILE 45 -9.823 8.940 31.375 342 HG13 ILE 45 HG12 ILE 45 -8.801 8.002 32.461 343 HG21 ILE 45 HG21 ILE 45 -8.628 11.610 31.147 344 HG22 ILE 45 HG22 ILE 45 -8.964 10.434 29.875 345 HG23 ILE 45 HG23 ILE 45 -7.357 11.155 30.006 346 HD11 ILE 45 HD11 ILE 45 -10.546 9.561 33.537 347 HD12 ILE 45 HD12 ILE 45 -9.475 10.878 33.059 348 HD13 ILE 45 HD13 ILE 45 -8.895 9.622 34.159 349 H TYR 46 H TYR 46 -6.612 9.154 28.298 350 HA TYR 46 HA TYR 46 -3.789 9.704 28.412 351 HB2 TYR 46 HB3 TYR 46 -5.908 9.549 26.319 352 HB3 TYR 46 HB2 TYR 46 -4.539 10.593 25.959 353 HD1 TYR 46 HD1 TYR 46 -4.968 7.212 27.609 354 HD2 TYR 46 HD2 TYR 46 -2.950 9.556 24.621 355 HE1 TYR 46 HE1 TYR 46 -3.611 5.235 26.977 356 HE2 TYR 46 HE2 TYR 46 -1.588 7.576 23.996 357 HH TYR 46 HH TYR 46 -1.992 4.925 24.203 358 H SER 47 H SER 47 -2.804 11.692 28.500 359 HA SER 47 HA SER 47 -4.556 14.045 28.435 360 HB2 SER 47 HB3 SER 47 -3.268 14.987 30.361 361 HB3 SER 47 HB2 SER 47 -4.279 13.603 30.763 362 HG SER 47 HG SER 47 -2.444 12.301 30.653 363 H CYS 48 H CYS 48 -3.889 15.589 27.166 364 HA CYS 48 HA CYS 48 -1.700 15.548 25.480 365 HB2 CYS 48 HB3 CYS 48 -3.812 17.295 25.972 366 HB3 CYS 48 HB2 CYS 48 -2.409 18.277 26.331 367 H ARG 49 H ARG 49 0.419 15.797 25.793 368 HA ARG 49 HA ARG 49 1.568 16.271 28.348 369 HB2 ARG 49 HB3 ARG 49 2.542 15.171 26.130 370 HB3 ARG 49 HB2 ARG 49 3.090 16.812 25.811 371 HG2 ARG 49 HG3 ARG 49 3.641 15.505 28.476 372 HG3 ARG 49 HG2 ARG 49 4.681 15.184 27.092 373 HD2 ARG 49 HD3 ARG 49 4.966 17.686 26.846 374 HD3 ARG 49 HD2 ARG 49 4.127 17.862 28.380 375 HE ARG 49 HE ARG 49 6.827 16.875 27.997 376 HH11 ARG 49 HH11 ARG 49 4.076 17.043 30.162 377 HH12 ARG 49 HH12 ARG 49 5.028 16.760 31.581 378 HH21 ARG 49 HH21 ARG 49 8.028 16.509 29.871 379 HH22 ARG 49 HH22 ARG 49 7.244 16.459 31.416 380 H ALA 50 H ALA 50 0.769 18.274 25.604 381 HA ALA 50 HA ALA 50 2.117 20.649 26.219 382 HB1 ALA 50 HB1 ALA 50 0.861 21.562 24.490 383 HB2 ALA 50 HB2 ALA 50 -0.571 20.610 24.899 384 HB3 ALA 50 HB3 ALA 50 0.810 19.844 24.114 385 H CYS 51 H CYS 51 -1.289 19.782 26.909 386 HA CYS 51 HA CYS 51 -1.364 22.020 28.850 387 HB2 CYS 51 HB3 CYS 51 -3.935 21.839 28.365 388 HB3 CYS 51 HB2 CYS 51 -2.887 22.724 27.264 389 H GLY 52 H GLY 52 -2.418 18.713 28.218 390 HA2 GLY 52 HA3 GLY 52 -2.423 17.056 29.943 391 HA3 GLY 52 HA2 GLY 52 -2.713 18.328 31.123 392 H THR 53 H THR 53 -4.523 18.383 28.157 393 HA THR 53 HA THR 53 -7.020 18.126 29.600 394 HB THR 53 HB THR 53 -7.598 17.933 26.871 395 HG1 THR 53 HG1 THR 53 -6.199 19.080 25.796 396 HG21 THR 53 HG21 THR 53 -8.424 20.124 27.060 397 HG22 THR 53 HG22 THR 53 -7.220 20.560 28.274 398 HG23 THR 53 HG23 THR 53 -8.536 19.459 28.688 399 H GLU 54 H GLU 54 -8.605 16.485 29.338 400 HA GLU 54 HA GLU 54 -7.486 13.838 29.001 401 HB2 GLU 54 HB3 GLU 54 -10.338 14.713 29.519 402 HB3 GLU 54 HB2 GLU 54 -9.751 13.053 29.587 403 HG2 GLU 54 HG3 GLU 54 -8.159 13.723 31.376 404 HG3 GLU 54 HG2 GLU 54 -8.836 15.349 31.331 405 H LEU 55 H LEU 55 -6.864 14.451 26.750 406 HA LEU 55 HA LEU 55 -8.651 14.809 24.636 407 HB2 LEU 55 HB3 LEU 55 -5.846 13.770 24.881 408 HB3 LEU 55 HB2 LEU 55 -6.668 13.629 23.331 409 HG LEU 55 HG LEU 55 -7.098 16.087 23.365 410 HD11 LEU 55 HD11 LEU 55 -7.151 16.453 25.743 411 HD12 LEU 55 HD12 LEU 55 -5.926 17.473 25.003 412 HD13 LEU 55 HD13 LEU 55 -5.448 16.021 25.869 413 HD21 LEU 55 HD21 LEU 55 -5.017 15.172 22.335 414 HD22 LEU 55 HD22 LEU 55 -4.194 15.472 23.870 415 HD23 LEU 55 HD23 LEU 55 -4.848 16.821 22.942 416 H PHE 56 H PHE 56 -7.397 11.763 25.986 417 HA PHE 56 HA PHE 56 -9.665 10.378 24.742 418 HB2 PHE 56 HB3 PHE 56 -6.796 9.462 24.423 419 HB3 PHE 56 HB2 PHE 56 -8.224 8.558 23.927 420 HD1 PHE 56 HD1 PHE 56 -5.986 11.329 23.129 421 HD2 PHE 56 HD2 PHE 56 -9.686 9.405 22.102 422 HE1 PHE 56 HE1 PHE 56 -6.018 12.545 20.968 423 HE2 PHE 56 HE2 PHE 56 -9.719 10.622 19.941 424 HZ PHE 56 HZ PHE 56 -7.885 12.192 19.374 425 H ARG 57 H ARG 57 -9.886 8.117 25.568 426 HA ARG 57 HA ARG 57 -8.726 7.716 28.233 427 HB2 ARG 57 HB3 ARG 57 -10.946 7.075 29.127 428 HB3 ARG 57 HB2 ARG 57 -10.877 8.768 28.654 429 HG2 ARG 57 HG3 ARG 57 -11.953 8.194 26.494 430 HG3 ARG 57 HG2 ARG 57 -12.057 6.514 27.013 431 HD2 ARG 57 HD3 ARG 57 -13.464 7.158 28.909 432 HD3 ARG 57 HD2 ARG 57 -13.308 8.853 28.471 433 HE ARG 57 HE ARG 57 -14.334 7.440 26.253 434 HH11 ARG 57 HH11 ARG 57 -15.316 8.446 29.464 435 HH12 ARG 57 HH12 ARG 57 -16.997 8.516 29.054 436 HH21 ARG 57 HH21 ARG 57 -16.530 7.545 25.764 437 HH22 ARG 57 HH22 ARG 57 -17.677 8.010 26.976 438 H SER 58 H SER 58 -8.891 5.517 28.999 439 HA SER 58 HA SER 58 -8.153 3.657 27.005 440 HB2 SER 58 HB3 SER 58 -7.955 2.070 28.830 441 HB3 SER 58 HB2 SER 58 -7.296 3.631 29.312 442 HG SER 58 HG SER 58 -9.920 2.685 29.865 443 H THR 59 H THR 59 -11.333 4.458 28.112 444 HA THR 59 HA THR 59 -12.448 1.841 27.785 445 HB THR 59 HB THR 59 -13.453 3.752 29.153 446 HG1 THR 59 HG1 THR 59 -15.179 2.446 27.336 447 HG21 THR 59 HG21 THR 59 -13.534 5.143 26.764 448 HG22 THR 59 HG22 THR 59 -14.507 5.509 28.186 449 HG23 THR 59 HG23 THR 59 -15.177 4.521 26.896 450 H GLU 60 H GLU 60 -11.885 4.508 25.578 451 HA GLU 60 HA GLU 60 -13.229 2.996 23.421 452 HB2 GLU 60 HB3 GLU 60 -12.842 5.885 23.975 453 HB3 GLU 60 HB2 GLU 60 -12.617 5.419 22.292 454 HG2 GLU 60 HG3 GLU 60 -14.948 5.998 22.594 455 HG3 GLU 60 HG2 GLU 60 -14.846 4.250 22.392 456 H LYS 61 H LYS 61 -10.329 2.827 24.652 457 HA LYS 61 HA LYS 61 -8.937 2.945 22.047 458 HB2 LYS 61 HB3 LYS 61 -7.810 3.309 24.826 459 HB3 LYS 61 HB2 LYS 61 -6.835 3.177 23.364 460 HG2 LYS 61 HG3 LYS 61 -7.886 5.171 22.433 461 HG3 LYS 61 HG2 LYS 61 -8.971 5.279 23.814 462 HD2 LYS 61 HD3 LYS 61 -7.224 6.823 24.294 463 HD3 LYS 61 HD2 LYS 61 -6.851 5.408 25.269 464 HE2 LYS 61 HE3 LYS 61 -4.804 6.079 24.217 465 HE3 LYS 61 HE2 LYS 61 -5.348 4.636 23.368 466 HZ1 LYS 61 HZ1 LYS 61 -6.369 6.108 21.699 467 HZ2 LYS 61 HZ2 LYS 61 -4.683 6.292 21.788 468 HZ3 LYS 61 HZ3 LYS 61 -5.707 7.450 22.494 469 H PHE 62 H PHE 62 -7.647 1.261 21.435 470 HA PHE 62 HA PHE 62 -7.865 -1.212 23.062 471 HB2 PHE 62 HB3 PHE 62 -7.884 -0.825 20.064 472 HB3 PHE 62 HB2 PHE 62 -7.611 -2.394 20.823 473 HD1 PHE 62 HD1 PHE 62 -10.047 0.395 20.460 474 HD2 PHE 62 HD2 PHE 62 -9.403 -3.623 21.835 475 HE1 PHE 62 HE1 PHE 62 -12.491 0.106 20.777 476 HE2 PHE 62 HE2 PHE 62 -11.845 -3.908 22.148 477 HZ PHE 62 HZ PHE 62 -13.389 -2.043 21.619 478 H ASN 63 H ASN 63 -6.062 -2.479 23.325 479 HA ASN 63 HA ASN 63 -3.518 -1.125 23.024 480 HB2 ASN 63 HB3 ASN 63 -4.061 -2.364 25.085 481 HB3 ASN 63 HB2 ASN 63 -4.177 -3.857 24.155 482 HD21 ASN 63 HD21 ASN 63 -1.877 -1.334 25.215 483 HD22 ASN 63 HD22 ASN 63 -0.489 -2.283 24.985 484 H SER 64 H SER 64 -2.682 -1.127 21.041 485 HA SER 64 HA SER 64 -1.866 -3.634 19.846 486 HB2 SER 64 HB3 SER 64 -2.934 -3.269 17.698 487 HB3 SER 64 HB2 SER 64 -4.175 -3.297 18.948 488 HG SER 64 HG SER 64 -4.047 -1.486 17.263 489 H HIS 65 H HIS 65 -0.383 -3.267 18.016 490 HA HIS 65 HA HIS 65 0.609 -0.540 17.695 491 HB2 HIS 65 HB3 HIS 65 2.947 -1.196 18.200 492 HB3 HIS 65 HB2 HIS 65 1.899 -1.299 19.610 493 HD1 HIS 65 HD1 HIS 65 3.611 -3.498 17.042 494 HD2 HIS 65 HD2 HIS 65 1.646 -3.878 20.699 495 HE1 HIS 65 HE1 HIS 65 3.962 -5.889 17.799 496 HE2 HIS 65 HE2 HIS 65 2.770 -6.136 20.027 497 H CYS 66 H CYS 66 1.427 -0.143 15.744 498 HA CYS 66 HA CYS 66 2.686 -1.976 14.010 499 HB2 CYS 66 HB3 CYS 66 0.916 -2.290 12.321 500 HB3 CYS 66 HB2 CYS 66 0.452 -3.009 13.863 501 HG CYS 66 HG CYS 66 -1.143 -0.935 12.484 502 H GLY 67 H GLY 67 2.716 0.835 14.995 503 HA2 GLY 67 HA3 GLY 67 3.895 2.570 13.760 504 HA3 GLY 67 HA2 GLY 67 2.866 2.205 12.377 505 H TRP 68 H TRP 68 0.443 2.444 12.859 506 HA TRP 68 HA TRP 68 -0.062 4.754 14.619 507 HB2 TRP 68 HB3 TRP 68 -1.088 4.359 11.797 508 HB3 TRP 68 HB2 TRP 68 -1.635 5.626 12.895 509 HD1 TRP 68 HD1 TRP 68 0.146 7.469 13.620 510 HE1 TRP 68 HE1 TRP 68 2.255 8.362 12.434 511 HE3 TRP 68 HE3 TRP 68 0.872 3.730 10.233 512 HZ2 TRP 68 HZ2 TRP 68 4.016 7.579 10.312 513 HZ3 TRP 68 HZ3 TRP 68 2.769 3.824 8.640 514 HH2 TRP 68 HH2 TRP 68 4.340 5.743 8.675 515 HA PRO 69 HA PRO 69 -2.921 1.222 15.759 516 HB2 PRO 69 HB3 PRO 69 -2.933 2.838 18.272 517 HB3 PRO 69 HB2 PRO 69 -2.786 1.081 18.062 518 HG2 PRO 69 HG3 PRO 69 -0.674 2.513 18.706 519 HG3 PRO 69 HG2 PRO 69 -0.540 1.206 17.515 520 HD2 PRO 69 HD3 PRO 69 -0.668 4.174 17.042 521 HD3 PRO 69 HD2 PRO 69 0.344 2.949 16.239 522 H SER 70 H SER 70 -5.139 1.250 15.698 523 HA SER 70 HA SER 70 -6.425 3.839 15.257 524 HB2 SER 70 HB3 SER 70 -6.855 2.105 13.610 525 HB3 SER 70 HB2 SER 70 -7.427 1.022 14.871 526 HG SER 70 HG SER 70 -9.271 1.900 14.318 527 H PHE 71 H PHE 71 -7.992 4.692 16.506 528 HA PHE 71 HA PHE 71 -8.863 3.189 18.901 529 HB2 PHE 71 HB3 PHE 71 -8.156 6.133 18.807 530 HB3 PHE 71 HB2 PHE 71 -8.759 5.261 20.209 531 HD1 PHE 71 HD1 PHE 71 -5.835 6.165 18.300 532 HD2 PHE 71 HD2 PHE 71 -7.362 3.296 21.101 533 HE1 PHE 71 HE1 PHE 71 -3.520 5.502 18.886 534 HE2 PHE 71 HE2 PHE 71 -5.051 2.632 21.691 535 HZ PHE 71 HZ PHE 71 -3.126 3.736 20.583 536 H PHE 72 H PHE 72 -10.779 4.661 19.922 537 HA PHE 72 HA PHE 72 -12.614 5.259 17.676 538 HB2 PHE 72 HB3 PHE 72 -13.215 3.875 20.298 539 HB3 PHE 72 HB2 PHE 72 -14.447 4.413 19.157 540 HD1 PHE 72 HD1 PHE 72 -12.135 1.785 19.967 541 HD2 PHE 72 HD2 PHE 72 -14.243 3.625 16.709 542 HE1 PHE 72 HE1 PHE 72 -11.756 -0.235 18.578 543 HE2 PHE 72 HE2 PHE 72 -13.871 1.603 15.325 544 HZ PHE 72 HZ PHE 72 -12.626 -0.324 16.259 545 H SER 73 H SER 73 -14.735 6.309 19.002 546 HA SER 73 HA SER 73 -14.392 8.948 19.116 547 HB2 SER 73 HB3 SER 73 -16.553 7.796 19.391 548 HB3 SER 73 HB2 SER 73 -16.137 7.438 21.060 549 HG SER 73 HG SER 73 -17.420 9.432 20.541 550 HA PRO 74 HA PRO 74 -11.794 9.859 22.692 551 HB2 PRO 74 HB3 PRO 74 -12.103 12.554 22.818 552 HB3 PRO 74 HB2 PRO 74 -11.158 11.774 21.533 553 HG2 PRO 74 HG3 PRO 74 -13.964 12.786 21.459 554 HG3 PRO 74 HG2 PRO 74 -12.670 12.972 20.264 555 HD2 PRO 74 HD3 PRO 74 -14.640 11.116 20.007 556 HD3 PRO 74 HD2 PRO 74 -12.997 10.864 19.378 557 H LEU 75 H LEU 75 -12.198 11.683 24.683 558 HA LEU 75 HA LEU 75 -14.025 10.517 26.409 559 HB2 LEU 75 HB3 LEU 75 -12.485 13.044 26.348 560 HB3 LEU 75 HB2 LEU 75 -13.970 13.150 27.291 561 HG LEU 75 HG LEU 75 -13.197 10.919 28.378 562 HD11 LEU 75 HD11 LEU 75 -10.702 11.831 26.951 563 HD12 LEU 75 HD12 LEU 75 -11.398 10.217 27.034 564 HD13 LEU 75 HD13 LEU 75 -10.594 10.902 28.445 565 HD21 LEU 75 HD21 LEU 75 -11.903 13.606 28.840 566 HD22 LEU 75 HD22 LEU 75 -11.632 12.243 29.925 567 HD23 LEU 75 HD23 LEU 75 -13.258 12.891 29.707 568 H ALA 76 H ALA 76 -14.522 13.704 24.833 569 HA ALA 76 HA ALA 76 -17.316 13.009 24.315 570 HB1 ALA 76 HB1 ALA 76 -16.901 14.070 26.713 571 HB2 ALA 76 HB2 ALA 76 -18.318 14.491 25.749 572 HB3 ALA 76 HB3 ALA 76 -16.922 15.569 25.785 573 H GLY 77 H GLY 77 -14.563 14.318 23.166 574 HA2 GLY 77 HA3 GLY 77 -14.194 15.460 21.173 575 HA3 GLY 77 HA2 GLY 77 -15.925 15.753 21.051 576 H ASP 78 H ASP 78 -14.951 16.649 24.121 577 HA ASP 78 HA ASP 78 -15.095 19.476 23.476 578 HB2 ASP 78 HB3 ASP 78 -14.916 18.010 26.112 579 HB3 ASP 78 HB2 ASP 78 -15.150 19.745 25.921 580 H LYS 79 H LYS 79 -12.771 17.075 24.463 581 HA LYS 79 HA LYS 79 -10.758 19.100 25.074 582 HB2 LYS 79 HB3 LYS 79 -10.156 16.164 25.065 583 HB3 LYS 79 HB2 LYS 79 -9.465 17.437 26.064 584 HG2 LYS 79 HG3 LYS 79 -12.312 16.384 26.310 585 HG3 LYS 79 HG2 LYS 79 -10.977 15.916 27.351 586 HD2 LYS 79 HD3 LYS 79 -10.769 18.149 28.230 587 HD3 LYS 79 HD2 LYS 79 -11.920 18.773 27.043 588 HE2 LYS 79 HE3 LYS 79 -13.708 17.432 28.003 589 HE3 LYS 79 HE2 LYS 79 -12.586 16.674 29.128 590 HZ1 LYS 79 HZ1 LYS 79 -13.454 18.336 30.418 591 HZ2 LYS 79 HZ2 LYS 79 -13.669 19.404 29.114 592 HZ3 LYS 79 HZ3 LYS 79 -12.120 19.153 29.764 593 H VAL 80 H VAL 80 -11.846 17.302 22.413 594 HA VAL 80 HA VAL 80 -9.455 18.042 20.861 595 HB VAL 80 HB VAL 80 -9.532 15.888 19.643 596 HG11 VAL 80 HG11 VAL 80 -7.970 16.128 21.482 597 HG12 VAL 80 HG12 VAL 80 -8.624 14.488 21.486 598 HG13 VAL 80 HG13 VAL 80 -9.221 15.680 22.644 599 HG21 VAL 80 HG21 VAL 80 -10.871 14.046 20.399 600 HG22 VAL 80 HG22 VAL 80 -11.967 15.418 20.232 601 HG23 VAL 80 HG23 VAL 80 -11.401 14.931 21.830 602 H ILE 81 H ILE 81 -9.832 18.455 18.653 603 HA ILE 81 HA ILE 81 -12.678 18.547 17.856 604 HB ILE 81 HB ILE 81 -10.601 20.683 17.930 605 HG12 ILE 81 HG13 ILE 81 -12.591 22.129 18.175 606 HG13 ILE 81 HG12 ILE 81 -13.639 20.751 17.873 607 HG21 ILE 81 HG21 ILE 81 -10.782 20.418 15.492 608 HG22 ILE 81 HG22 ILE 81 -11.534 21.929 16.013 609 HG23 ILE 81 HG23 ILE 81 -12.540 20.540 15.600 610 HD11 ILE 81 HD11 ILE 81 -12.958 21.573 20.365 611 HD12 ILE 81 HD12 ILE 81 -11.652 20.423 20.074 612 HD13 ILE 81 HD13 ILE 81 -13.331 19.893 19.979 613 H GLU 82 H GLU 82 -13.204 17.838 15.910 614 HA GLU 82 HA GLU 82 -11.065 16.713 14.208 615 HB2 GLU 82 HB3 GLU 82 -13.960 15.830 14.212 616 HB3 GLU 82 HB2 GLU 82 -12.565 14.976 13.565 617 HG2 GLU 82 HG3 GLU 82 -11.715 14.972 16.037 618 HG3 GLU 82 HG2 GLU 82 -13.382 15.341 16.443 619 H ARG 83 H ARG 83 -10.788 17.785 12.336 620 HA ARG 83 HA ARG 83 -13.139 19.017 11.025 621 HB2 ARG 83 HB3 ARG 83 -10.409 20.276 11.400 622 HB3 ARG 83 HB2 ARG 83 -11.677 20.925 10.361 623 HG2 ARG 83 HG3 ARG 83 -13.165 21.205 12.264 624 HG3 ARG 83 HG2 ARG 83 -12.008 20.410 13.331 625 HD2 ARG 83 HD3 ARG 83 -11.819 22.823 13.611 626 HD3 ARG 83 HD2 ARG 83 -10.360 22.212 12.834 627 HE ARG 83 HE ARG 83 -12.279 23.023 10.882 628 HH11 ARG 83 HH11 ARG 83 -9.961 24.325 13.167 629 HH12 ARG 83 HH12 ARG 83 -9.712 25.779 12.261 630 HH21 ARG 83 HH21 ARG 83 -11.921 24.927 9.736 631 HH22 ARG 83 HH22 ARG 83 -10.813 26.116 10.335 632 H THR 84 H THR 84 -13.118 18.987 8.766 633 HA THR 84 HA THR 84 -11.353 16.998 7.597 634 HB THR 84 HB THR 84 -13.829 17.061 7.164 635 HG1 THR 84 HG1 THR 84 -12.897 15.911 5.668 636 HG21 THR 84 HG21 THR 84 -14.785 18.683 5.708 637 HG22 THR 84 HG22 THR 84 -13.202 19.336 5.279 638 HG23 THR 84 HG23 THR 84 -13.862 19.611 6.892 639 H ASP 85 H ASP 85 -10.002 17.323 5.800 640 HA ASP 85 HA ASP 85 -9.307 20.136 5.195 641 HB2 ASP 85 HB3 ASP 85 -7.665 19.181 6.778 642 HB3 ASP 85 HB2 ASP 85 -7.351 17.869 5.644 643 H THR 86 H THR 86 -9.660 20.477 3.120 644 HA THR 86 HA THR 86 -9.742 18.356 1.171 645 HB THR 86 HB THR 86 -10.018 21.318 0.635 646 HG1 THR 86 HG1 THR 86 -12.053 21.221 1.308 647 HG21 THR 86 HG21 THR 86 -11.585 20.399 -1.131 648 HG22 THR 86 HG22 THR 86 -10.998 18.790 -0.707 649 HG23 THR 86 HG23 THR 86 -9.884 19.991 -1.361 650 H SER 87 H SER 87 -7.536 17.807 1.502 651 HA SER 87 HA SER 87 -5.328 19.448 0.937 652 HB2 SER 87 HB3 SER 87 -5.670 16.463 0.599 653 HB3 SER 87 HB2 SER 87 -4.128 17.303 0.477 654 HG SER 87 HG SER 87 -5.064 16.380 2.628 655 H HIS 88 H HIS 88 -7.277 17.375 -1.223 656 HA HIS 88 HA HIS 88 -6.869 19.051 -3.461 657 HB2 HIS 88 HB3 HIS 88 -4.574 18.143 -3.371 658 HB3 HIS 88 HB2 HIS 88 -5.213 16.507 -3.497 659 HD1 HIS 88 HD1 HIS 88 -5.305 19.770 -5.478 660 HD2 HIS 88 HD2 HIS 88 -5.502 15.656 -6.115 661 HE1 HIS 88 HE1 HIS 88 -5.363 19.436 -7.989 662 HE2 HIS 88 HE2 HIS 88 -5.483 16.933 -8.393 663 H GLY 89 H GLY 89 -6.783 15.632 -4.228 664 HA2 GLY 89 HA3 GLY 89 -9.267 15.681 -5.553 665 HA3 GLY 89 HA2 GLY 89 -8.340 14.238 -5.168 666 H MET 90 H MET 90 -8.356 14.469 -2.348 667 HA MET 90 HA MET 90 -11.224 14.237 -1.685 668 HB2 MET 90 HB3 MET 90 -10.723 12.225 -0.367 669 HB3 MET 90 HB2 MET 90 -10.289 11.998 -2.059 670 HG2 MET 90 HG3 MET 90 -7.928 12.490 -1.530 671 HG3 MET 90 HG2 MET 90 -8.355 12.714 0.167 672 HE1 MET 90 HE1 MET 90 -10.411 10.472 0.917 673 HE2 MET 90 HE2 MET 90 -9.003 11.128 1.748 674 HE3 MET 90 HE3 MET 90 -9.181 9.383 1.573 675 H VAL 91 H VAL 91 -11.502 14.042 0.776 676 HA VAL 91 HA VAL 91 -9.745 16.041 2.059 677 HB VAL 91 HB VAL 91 -11.667 16.634 3.469 678 HG11 VAL 91 HG11 VAL 91 -13.235 17.327 1.396 679 HG12 VAL 91 HG12 VAL 91 -11.802 16.838 0.490 680 HG13 VAL 91 HG13 VAL 91 -11.691 18.102 1.710 681 HG21 VAL 91 HG21 VAL 91 -13.863 15.698 3.108 682 HG22 VAL 91 HG22 VAL 91 -12.746 14.356 3.358 683 HG23 VAL 91 HG23 VAL 91 -13.291 14.758 1.729 684 H ARG 92 H ARG 92 -9.307 15.795 4.336 685 HA ARG 92 HA ARG 92 -9.722 13.084 5.421 686 HB2 ARG 92 HB3 ARG 92 -7.094 14.589 5.324 687 HB3 ARG 92 HB2 ARG 92 -7.374 13.124 6.264 688 HG2 ARG 92 HG3 ARG 92 -7.873 11.863 4.244 689 HG3 ARG 92 HG2 ARG 92 -7.762 13.326 3.263 690 HD2 ARG 92 HD3 ARG 92 -5.679 12.081 3.070 691 HD3 ARG 92 HD2 ARG 92 -5.381 13.570 3.963 692 HE ARG 92 HE ARG 92 -5.992 11.437 5.754 693 HH11 ARG 92 HH11 ARG 92 -3.417 12.655 3.711 694 HH12 ARG 92 HH12 ARG 92 -2.163 11.938 4.666 695 HH21 ARG 92 HH21 ARG 92 -4.329 10.517 6.963 696 HH22 ARG 92 HH22 ARG 92 -2.677 10.738 6.491 697 H THR 93 H THR 93 -10.013 13.017 7.642 698 HA THR 93 HA THR 93 -10.542 15.599 8.889 699 HB THR 93 HB THR 93 -11.000 12.815 9.988 700 HG1 THR 93 HG1 THR 93 -12.470 12.853 8.484 701 HG21 THR 93 HG21 THR 93 -11.864 15.584 10.834 702 HG22 THR 93 HG22 THR 93 -11.012 14.374 11.793 703 HG23 THR 93 HG23 THR 93 -12.707 14.131 11.372 704 H GLU 94 H GLU 94 -9.045 16.611 9.979 705 HA GLU 94 HA GLU 94 -6.718 15.183 11.028 706 HB2 GLU 94 HB3 GLU 94 -6.438 17.234 9.612 707 HB3 GLU 94 HB2 GLU 94 -7.248 18.161 10.872 708 HG2 GLU 94 HG3 GLU 94 -5.505 17.562 12.480 709 HG3 GLU 94 HG2 GLU 94 -4.717 16.541 11.278 710 H VAL 95 H VAL 95 -6.414 14.839 13.135 711 HA VAL 95 HA VAL 95 -8.479 15.724 15.006 712 HB VAL 95 HB VAL 95 -6.199 13.743 15.326 713 HG11 VAL 95 HG11 VAL 95 -6.633 14.550 17.516 714 HG12 VAL 95 HG12 VAL 95 -7.611 13.086 17.397 715 HG13 VAL 95 HG13 VAL 95 -8.370 14.673 17.226 716 HG21 VAL 95 HG21 VAL 95 -9.194 13.294 15.131 717 HG22 VAL 95 HG22 VAL 95 -7.941 12.054 15.200 718 HG23 VAL 95 HG23 VAL 95 -8.074 13.096 13.783 719 H ILE 96 H ILE 96 -8.213 17.403 16.255 720 HA ILE 96 HA ILE 96 -5.494 18.265 17.018 721 HB ILE 96 HB ILE 96 -6.239 20.603 16.859 722 HG12 ILE 96 HG13 ILE 96 -8.644 19.641 15.285 723 HG13 ILE 96 HG12 ILE 96 -8.755 19.872 17.026 724 HG21 ILE 96 HG21 ILE 96 -5.006 19.780 14.992 725 HG22 ILE 96 HG22 ILE 96 -6.379 20.652 14.314 726 HG23 ILE 96 HG23 ILE 96 -6.394 18.885 14.369 727 HD11 ILE 96 HD11 ILE 96 -9.298 21.988 16.458 728 HD12 ILE 96 HD12 ILE 96 -8.530 21.877 14.875 729 HD13 ILE 96 HD13 ILE 96 -7.556 22.205 16.311 730 H CYS 97 H CYS 97 -5.450 19.527 18.990 731 HA CYS 97 HA CYS 97 -7.311 18.512 20.983 732 HB2 CYS 97 HB3 CYS 97 -4.853 18.776 21.322 733 HB3 CYS 97 HB2 CYS 97 -5.085 20.504 21.319 734 H ALA 98 H ALA 98 -8.902 19.651 21.951 735 HA ALA 98 HA ALA 98 -10.121 21.755 20.581 736 HB1 ALA 98 HB1 ALA 98 -11.647 21.884 22.451 737 HB2 ALA 98 HB2 ALA 98 -10.506 21.021 23.485 738 HB3 ALA 98 HB3 ALA 98 -11.269 20.191 22.125 739 H ASN 99 H ASN 99 -7.572 21.859 22.958 740 HA ASN 99 HA ASN 99 -8.004 24.778 23.288 741 HB2 ASN 99 HB3 ASN 99 -6.430 24.579 25.204 742 HB3 ASN 99 HB2 ASN 99 -7.903 23.645 25.366 743 HD21 ASN 99 HD21 ASN 99 -7.538 21.634 26.208 744 HD22 ASN 99 HD22 ASN 99 -6.153 20.704 25.928 745 H CYS 100 H CYS 100 -5.655 22.396 22.250 746 HA CYS 100 HA CYS 100 -4.011 24.623 21.177 747 HB2 CYS 100 HB3 CYS 100 -1.974 23.323 21.586 748 HB3 CYS 100 HB2 CYS 100 -2.838 23.635 23.086 749 H GLU 101 H GLU 101 -2.609 23.946 19.321 750 HA GLU 101 HA GLU 101 -4.279 22.521 17.439 751 HB2 GLU 101 HB3 GLU 101 -1.794 24.201 17.234 752 HB3 GLU 101 HB2 GLU 101 -2.257 23.167 15.883 753 HG2 GLU 101 HG3 GLU 101 -4.465 24.230 15.790 754 HG3 GLU 101 HG2 GLU 101 -4.060 25.232 17.184 755 H SER 102 H SER 102 -4.050 20.465 18.618 756 HA SER 102 HA SER 102 -1.526 19.054 18.287 757 HB2 SER 102 HB3 SER 102 -4.182 18.112 19.380 758 HB3 SER 102 HB2 SER 102 -2.719 17.143 19.327 759 HG SER 102 HG SER 102 -2.925 18.169 21.336 760 H HIS 103 H HIS 103 -2.154 19.885 15.932 761 HA HIS 103 HA HIS 103 -3.746 18.044 14.378 762 HB2 HIS 103 HB3 HIS 103 -2.608 19.275 12.420 763 HB3 HIS 103 HB2 HIS 103 -3.677 20.218 13.446 764 HD1 HIS 103 HD1 HIS 103 -2.395 22.409 12.796 765 HD2 HIS 103 HD2 HIS 103 -0.021 19.598 14.762 766 HE1 HIS 103 HE1 HIS 103 -0.284 23.617 13.501 767 HE2 HIS 103 HE2 HIS 103 1.171 21.919 14.702 768 H LEU 104 H LEU 104 -1.537 16.921 15.980 769 HA LEU 104 HA LEU 104 0.521 16.113 14.119 770 HB2 LEU 104 HB3 LEU 104 1.417 14.885 16.038 771 HB3 LEU 104 HB2 LEU 104 1.020 16.547 16.460 772 HG LEU 104 HG LEU 104 -1.323 15.451 17.177 773 HD11 LEU 104 HD11 LEU 104 -0.923 13.180 16.564 774 HD12 LEU 104 HD12 LEU 104 -0.760 13.222 18.314 775 HD13 LEU 104 HD13 LEU 104 0.678 13.183 17.293 776 HD21 LEU 104 HD21 LEU 104 -0.555 15.456 19.445 777 HD22 LEU 104 HD22 LEU 104 0.406 16.672 18.604 778 HD23 LEU 104 HD23 LEU 104 1.101 15.090 18.958 779 H GLY 105 H GLY 105 -2.579 14.938 15.157 780 HA2 GLY 105 HA3 GLY 105 -2.062 12.377 13.742 781 HA3 GLY 105 HA2 GLY 105 -3.019 12.481 15.206 782 H HIS 106 H HIS 106 -3.844 11.402 12.693 783 HA HIS 106 HA HIS 106 -6.090 13.209 12.019 784 HB2 HIS 106 HB3 HIS 106 -4.425 11.461 10.201 785 HB3 HIS 106 HB2 HIS 106 -6.024 12.037 9.741 786 HD1 HIS 106 HD1 HIS 106 -2.683 13.462 10.907 787 HD2 HIS 106 HD2 HIS 106 -6.000 14.578 8.628 788 HE1 HIS 106 HE1 HIS 106 -2.138 15.723 9.904 789 HE2 HIS 106 HE2 HIS 106 -4.150 16.419 8.522 790 H VAL 107 H VAL 107 -8.045 12.121 11.350 791 HA VAL 107 HA VAL 107 -8.282 9.315 12.226 792 HB VAL 107 HB VAL 107 -9.104 10.766 14.023 793 HG11 VAL 107 HG11 VAL 107 -10.769 12.401 13.773 794 HG12 VAL 107 HG12 VAL 107 -11.295 11.764 12.215 795 HG13 VAL 107 HG13 VAL 107 -9.767 12.634 12.342 796 HG21 VAL 107 HG21 VAL 107 -11.316 9.349 12.514 797 HG22 VAL 107 HG22 VAL 107 -11.396 9.827 14.210 798 HG23 VAL 107 HG23 VAL 107 -10.224 8.616 13.689 799 H PHE 108 H PHE 108 -9.903 8.098 11.164 800 HA PHE 108 HA PHE 108 -11.198 9.369 8.837 801 HB2 PHE 108 HB3 PHE 108 -9.034 8.420 8.081 802 HB3 PHE 108 HB2 PHE 108 -9.535 6.840 8.678 803 HD1 PHE 108 HD1 PHE 108 -10.421 9.549 6.270 804 HD2 PHE 108 HD2 PHE 108 -10.937 5.426 7.365 805 HE1 PHE 108 HE1 PHE 108 -11.595 9.126 4.128 806 HE2 PHE 108 HE2 PHE 108 -12.111 5.004 5.222 807 HZ PHE 108 HZ PHE 108 -12.441 6.854 3.603 808 H ALA 109 H ALA 109 -13.168 8.527 8.303 809 HA ALA 109 HA ALA 109 -14.240 6.443 10.091 810 HB1 ALA 109 HB1 ALA 109 -16.351 7.561 8.590 811 HB2 ALA 109 HB2 ALA 109 -15.299 8.914 9.006 812 HB3 ALA 109 HB3 ALA 109 -15.956 7.885 10.278 813 H GLY 110 H GLY 110 -15.370 4.649 9.267 814 HA2 GLY 110 HA3 GLY 110 -16.379 3.505 7.350 815 HA3 GLY 110 HA2 GLY 110 -15.107 4.190 6.350 816 H GLU 111 H GLU 111 -14.057 3.048 9.440 817 HA GLU 111 HA GLU 111 -12.385 1.053 8.243 818 HB2 GLU 111 HB3 GLU 111 -11.744 2.332 10.284 819 HB3 GLU 111 HB2 GLU 111 -12.994 1.473 11.183 820 HG2 GLU 111 HG3 GLU 111 -11.902 -0.668 10.730 821 HG3 GLU 111 HG2 GLU 111 -10.701 0.126 9.719 822 H GLY 112 H GLY 112 -15.532 0.989 9.807 823 HA2 GLY 112 HA3 GLY 112 -17.113 -0.689 9.937 824 HA3 GLY 112 HA2 GLY 112 -16.114 -1.629 8.832 825 H TYR 113 H TYR 113 -15.101 -0.350 11.964 826 HA TYR 113 HA TYR 113 -14.292 -3.010 12.807 827 HB2 TYR 113 HB3 TYR 113 -13.112 -0.605 13.154 828 HB3 TYR 113 HB2 TYR 113 -14.029 -0.682 14.656 829 HD1 TYR 113 HD1 TYR 113 -11.290 -2.145 12.699 830 HD2 TYR 113 HD2 TYR 113 -13.588 -2.463 16.314 831 HE1 TYR 113 HE1 TYR 113 -9.589 -3.681 13.644 832 HE2 TYR 113 HE2 TYR 113 -11.885 -3.998 17.261 833 HH TYR 113 HH TYR 113 -8.818 -4.516 15.717 834 H ASP 114 H ASP 114 -17.202 -1.890 12.714 835 HA ASP 114 HA ASP 114 -19.132 -2.242 13.834 836 HB2 ASP 114 HB3 ASP 114 -18.051 -4.536 14.033 837 HB3 ASP 114 HB2 ASP 114 -17.571 -4.070 15.661 838 H THR 115 H THR 115 -18.201 0.096 14.478 839 HA THR 115 HA THR 115 -18.624 0.323 17.377 840 HB THR 115 HB THR 115 -17.139 2.540 16.926 841 HG1 THR 115 HG1 THR 115 -15.975 0.559 15.281 842 HG21 THR 115 HG21 THR 115 -15.661 1.604 18.362 843 HG22 THR 115 HG22 THR 115 -15.420 0.178 17.351 844 HG23 THR 115 HG23 THR 115 -16.813 0.272 18.431 845 HA PRO 116 HA PRO 116 -21.842 3.187 16.460 846 HB2 PRO 116 HB3 PRO 116 -21.472 5.160 18.353 847 HB3 PRO 116 HB2 PRO 116 -22.199 3.577 18.689 848 HG2 PRO 116 HG3 PRO 116 -19.402 4.509 19.151 849 HG3 PRO 116 HG2 PRO 116 -20.451 3.521 20.187 850 HD2 PRO 116 HD3 PRO 116 -18.494 2.428 18.682 851 HD3 PRO 116 HD2 PRO 116 -20.022 1.574 18.970 852 H THR 117 H THR 117 -18.573 4.449 16.597 853 HA THR 117 HA THR 117 -19.356 6.808 14.998 854 HB THR 117 HB THR 117 -17.150 7.715 15.570 855 HG1 THR 117 HG1 THR 117 -16.130 5.636 15.689 856 HG21 THR 117 HG21 THR 117 -17.689 8.332 17.726 857 HG22 THR 117 HG22 THR 117 -18.124 6.691 18.200 858 HG23 THR 117 HG23 THR 117 -19.244 7.657 17.236 859 H ASP 118 H ASP 118 -17.586 3.821 14.880 860 HA ASP 118 HA ASP 118 -16.391 2.761 13.228 861 HB2 ASP 118 HB3 ASP 118 -18.691 3.215 12.156 862 HB3 ASP 118 HB2 ASP 118 -17.881 4.505 11.269 863 H LEU 119 H LEU 119 -15.074 4.905 14.417 864 HA LEU 119 HA LEU 119 -13.651 6.235 12.197 865 HB2 LEU 119 HB3 LEU 119 -13.872 6.919 15.134 866 HB3 LEU 119 HB2 LEU 119 -12.762 7.729 14.031 867 HG LEU 119 HG LEU 119 -15.743 7.565 13.505 868 HD11 LEU 119 HD11 LEU 119 -14.157 9.790 14.830 869 HD12 LEU 119 HD12 LEU 119 -15.313 8.739 15.648 870 HD13 LEU 119 HD13 LEU 119 -15.868 9.858 14.403 871 HD21 LEU 119 HD21 LEU 119 -13.518 9.362 12.470 872 HD22 LEU 119 HD22 LEU 119 -15.221 9.516 12.042 873 HD23 LEU 119 HD23 LEU 119 -14.317 8.084 11.558 874 H ARG 120 H ARG 120 -11.398 6.255 12.146 875 HA ARG 120 HA ARG 120 -10.044 4.305 13.890 876 HB2 ARG 120 HB3 ARG 120 -8.586 3.704 11.918 877 HB3 ARG 120 HB2 ARG 120 -10.254 3.160 11.794 878 HG2 ARG 120 HG3 ARG 120 -10.783 4.660 10.109 879 HG3 ARG 120 HG2 ARG 120 -9.572 5.835 10.608 880 HD2 ARG 120 HD3 ARG 120 -8.782 4.888 8.559 881 HD3 ARG 120 HD2 ARG 120 -7.813 4.164 9.837 882 HE ARG 120 HE ARG 120 -10.073 2.529 9.305 883 HH11 ARG 120 HH11 ARG 120 -6.993 3.460 7.909 884 HH12 ARG 120 HH12 ARG 120 -6.827 1.991 7.008 885 HH21 ARG 120 HH21 ARG 120 -9.827 0.648 8.083 886 HH22 ARG 120 HH22 ARG 120 -8.416 0.415 7.108 887 H TYR 121 H TYR 121 -9.484 6.187 15.144 888 HA TYR 121 HA TYR 121 -8.029 8.392 14.163 889 HB2 TYR 121 HB3 TYR 121 -8.015 7.081 16.894 890 HB3 TYR 121 HB2 TYR 121 -7.292 8.645 16.532 891 HD1 TYR 121 HD1 TYR 121 -10.481 6.766 16.673 892 HD2 TYR 121 HD2 TYR 121 -8.639 10.620 16.306 893 HE1 TYR 121 HE1 TYR 121 -12.679 7.841 17.041 894 HE2 TYR 121 HE2 TYR 121 -10.840 11.705 16.665 895 HH TYR 121 HH TYR 121 -13.810 9.865 16.745 896 H CYS 122 H CYS 122 -6.125 8.259 13.134 897 HA CYS 122 HA CYS 122 -4.214 6.143 13.893 898 HB2 CYS 122 HB3 CYS 122 -4.261 7.972 11.467 899 HB3 CYS 122 HB2 CYS 122 -3.074 6.703 11.770 900 HG CYS 122 HG CYS 122 -4.709 5.273 10.553 901 H ILE 123 H ILE 123 -3.533 7.109 15.799 902 HA ILE 123 HA ILE 123 -1.826 9.483 15.415 903 HB ILE 123 HB ILE 123 -3.581 9.119 17.858 904 HG12 ILE 123 HG13 ILE 123 -4.073 10.851 15.392 905 HG13 ILE 123 HG12 ILE 123 -5.011 9.446 15.846 906 HG21 ILE 123 HG21 ILE 123 -2.968 11.523 18.163 907 HG22 ILE 123 HG22 ILE 123 -1.961 11.416 16.721 908 HG23 ILE 123 HG23 ILE 123 -1.553 10.469 18.151 909 HD11 ILE 123 HD11 ILE 123 -6.333 11.171 16.688 910 HD12 ILE 123 HD12 ILE 123 -4.933 12.157 17.137 911 HD13 ILE 123 HD13 ILE 123 -5.368 10.743 18.104 912 H ASN 124 H ASN 124 -0.013 9.587 16.669 913 HA ASN 124 HA ASN 124 0.661 7.128 18.173 914 HB2 ASN 124 HB3 ASN 124 2.418 9.002 16.580 915 HB3 ASN 124 HB2 ASN 124 3.038 7.751 17.650 916 HD21 ASN 124 HD21 ASN 124 3.501 7.785 14.785 917 HD22 ASN 124 HD22 ASN 124 2.738 6.418 14.129 918 H SER 125 H SER 125 1.849 7.361 20.101 919 HA SER 125 HA SER 125 1.244 9.822 21.516 920 HB2 SER 125 HB3 SER 125 0.830 7.723 22.660 921 HB3 SER 125 HB2 SER 125 2.502 7.225 22.427 922 HG SER 125 HG SER 125 2.841 8.212 24.247 923 H VAL 126 H VAL 126 2.599 11.356 20.660 924 HA VAL 126 HA VAL 126 5.459 10.981 20.523 925 HB VAL 126 HB VAL 126 4.203 12.469 18.943 926 HG11 VAL 126 HG11 VAL 126 3.195 14.458 19.564 927 HG12 VAL 126 HG12 VAL 126 4.189 14.648 21.011 928 HG13 VAL 126 HG13 VAL 126 2.851 13.494 20.999 929 HG21 VAL 126 HG21 VAL 126 5.960 14.082 18.795 930 HG22 VAL 126 HG22 VAL 126 6.690 12.634 19.487 931 HG23 VAL 126 HG23 VAL 126 6.278 13.998 20.529 932 H CYS 127 H CYS 127 4.881 10.247 22.993 933 HA CYS 127 HA CYS 127 5.554 10.526 25.165 934 HB2 CYS 127 HB3 CYS 127 7.434 11.936 24.076 935 HB3 CYS 127 HB2 CYS 127 6.482 13.335 24.572 936 HG CYS 127 HG CYS 127 7.286 13.001 26.885 937 H LEU 128 H LEU 128 3.079 10.601 24.894 938 HA LEU 128 HA LEU 128 1.816 13.079 25.807 939 HB2 LEU 128 HB3 LEU 128 0.635 11.893 24.106 940 HB3 LEU 128 HB2 LEU 128 0.817 10.354 24.931 941 HG LEU 128 HG LEU 128 -0.674 12.536 26.379 942 HD11 LEU 128 HD11 LEU 128 -2.790 11.727 25.226 943 HD12 LEU 128 HD12 LEU 128 -1.744 10.997 24.007 944 HD13 LEU 128 HD13 LEU 128 -1.731 12.745 24.250 945 HD21 LEU 128 HD21 LEU 128 -2.071 10.480 26.993 946 HD22 LEU 128 HD22 LEU 128 -0.402 10.447 27.548 947 HD23 LEU 128 HD23 LEU 128 -0.867 9.521 26.132 948 H THR 129 H THR 129 0.561 13.122 27.797 949 HA THR 129 HA THR 129 1.911 11.660 29.937 950 HB THR 129 HB THR 129 -0.156 13.874 30.053 951 HG1 THR 129 HG1 THR 129 1.546 15.198 30.182 952 HG21 THR 129 HG21 THR 129 1.709 12.830 32.207 953 HG22 THR 129 HG22 THR 129 -0.014 12.466 32.122 954 HG23 THR 129 HG23 THR 129 0.524 14.124 32.382 955 H LEU 130 H LEU 130 1.112 10.020 31.054 956 HA LEU 130 HA LEU 130 -1.585 9.035 30.424 957 HB2 LEU 130 HB3 LEU 130 0.133 7.397 30.096 958 HB3 LEU 130 HB2 LEU 130 0.878 7.766 31.635 959 HG LEU 130 HG LEU 130 -0.424 5.566 31.459 960 HD11 LEU 130 HD11 LEU 130 -0.840 5.551 33.719 961 HD12 LEU 130 HD12 LEU 130 -1.551 7.162 33.730 962 HD13 LEU 130 HD13 LEU 130 0.200 6.967 33.604 963 HD21 LEU 130 HD21 LEU 130 -2.692 5.461 31.244 964 HD22 LEU 130 HD22 LEU 130 -2.486 7.008 30.427 965 HD23 LEU 130 HD23 LEU 130 -2.971 6.963 32.123 966 H ILE 131 H ILE 131 -3.189 9.072 31.833 967 HA ILE 131 HA ILE 131 -2.653 10.010 34.587 968 HB ILE 131 HB ILE 131 -5.249 10.007 33.022 969 HG12 ILE 131 HG13 ILE 131 -3.670 11.614 32.032 970 HG13 ILE 131 HG12 ILE 131 -4.968 12.462 32.856 971 HG21 ILE 131 HG21 ILE 131 -5.923 11.631 34.887 972 HG22 ILE 131 HG22 ILE 131 -4.500 11.055 35.754 973 HG23 ILE 131 HG23 ILE 131 -5.792 9.929 35.333 974 HD11 ILE 131 HD11 ILE 131 -2.192 11.974 33.992 975 HD12 ILE 131 HD12 ILE 131 -3.493 12.850 34.800 976 HD13 ILE 131 HD13 ILE 131 -2.772 13.503 33.328 977 HA PRO 132 HA PRO 132 -3.728 5.672 35.470 978 HB2 PRO 132 HB3 PRO 132 -3.186 5.763 38.166 979 HB3 PRO 132 HB2 PRO 132 -1.951 5.510 36.921 980 HG2 PRO 132 HG3 PRO 132 -2.594 7.946 38.463 981 HG3 PRO 132 HG2 PRO 132 -1.049 7.385 37.822 982 HD2 PRO 132 HD3 PRO 132 -2.601 9.379 36.725 983 HD3 PRO 132 HD2 PRO 132 -1.345 8.469 35.858 984 H ALA 133 H ALA 133 -5.912 5.720 35.174 985 HA ALA 133 HA ALA 133 -7.757 7.293 36.548 986 HB1 ALA 133 HB1 ALA 133 -8.531 6.343 34.556 987 HB2 ALA 133 HB2 ALA 133 -9.379 5.403 35.784 988 HB3 ALA 133 HB3 ALA 133 -7.952 4.732 34.988 989 H GLU 134 H GLU 134 -6.908 3.861 37.131 990 HA GLU 134 HA GLU 134 -7.068 3.994 39.935 991 HB2 GLU 134 HB3 GLU 134 -9.515 4.354 39.429 992 HB3 GLU 134 HB2 GLU 134 -9.529 2.767 38.670 993 HG2 GLU 134 HG3 GLU 134 -8.860 1.720 40.786 994 HG3 GLU 134 HG2 GLU 134 -8.739 3.299 41.553 995 H GLU 135 H GLU 135 -8.211 1.727 37.416 996 HA GLU 135 HA GLU 135 -7.662 -0.438 36.936 997 HB2 GLU 135 HB3 GLU 135 -4.980 0.592 37.886 998 HB3 GLU 135 HB2 GLU 135 -5.202 -1.011 37.190 999 HG2 GLU 135 HG3 GLU 135 -5.907 1.603 35.816 1000 HG3 GLU 135 HG2 GLU 135 -4.472 0.637 35.484 1001 H SER 136 H SER 136 -9.077 -0.253 39.163 1002 HA SER 136 HA SER 136 -8.063 -1.218 41.574 1003 HB2 SER 136 HB3 SER 136 -10.759 -2.071 40.562 1004 HB3 SER 136 HB2 SER 136 -10.279 -1.629 42.198 1005 HG SER 136 HG SER 136 -11.397 -0.083 40.448 Start of MODEL 12 1 H MET 1 H1 MET 1 -2.308 25.342 31.389 2 HA MET 1 HA MET 1 -4.601 25.198 32.668 3 HB2 MET 1 HB3 MET 1 -2.590 26.364 34.611 4 HB3 MET 1 HB2 MET 1 -4.330 26.620 34.744 5 HG2 MET 1 HG3 MET 1 -4.719 24.230 34.952 6 HG3 MET 1 HG2 MET 1 -3.012 23.892 34.661 7 HE1 MET 1 HE1 MET 1 -5.673 25.420 36.632 8 HE2 MET 1 HE2 MET 1 -4.670 26.784 37.120 9 HE3 MET 1 HE3 MET 1 -5.116 25.559 38.305 10 H THR 2 H THR 2 -5.522 27.516 33.124 11 HA THR 2 HA THR 2 -6.020 29.577 32.248 12 HB THR 2 HB THR 2 -3.082 30.001 31.732 13 HG1 THR 2 HG1 THR 2 -4.336 30.165 34.262 14 HG21 THR 2 HG21 THR 2 -5.439 31.691 32.564 15 HG22 THR 2 HG22 THR 2 -4.327 31.931 31.214 16 HG23 THR 2 HG23 THR 2 -3.786 32.230 32.865 17 H ASN 3 H ASN 3 -5.726 31.002 30.244 18 HA ASN 3 HA ASN 3 -6.234 29.500 27.923 19 HB2 ASN 3 HB3 ASN 3 -6.904 31.907 28.405 20 HB3 ASN 3 HB2 ASN 3 -5.255 32.359 27.991 21 HD21 ASN 3 HD21 ASN 3 -5.983 33.550 26.103 22 HD22 ASN 3 HD22 ASN 3 -6.544 32.749 24.720 23 H PHE 4 H PHE 4 -4.881 28.417 26.637 24 HA PHE 4 HA PHE 4 -2.023 28.668 26.951 25 HB2 PHE 4 HB3 PHE 4 -3.716 26.948 25.133 26 HB3 PHE 4 HB2 PHE 4 -1.957 26.852 25.239 27 HD1 PHE 4 HD1 PHE 4 -5.128 26.331 27.067 28 HD2 PHE 4 HD2 PHE 4 -0.860 25.875 27.166 29 HE1 PHE 4 HE1 PHE 4 -5.332 24.858 29.051 30 HE2 PHE 4 HE2 PHE 4 -1.061 24.405 29.151 31 HZ PHE 4 HZ PHE 4 -3.298 23.896 30.094 32 H LYS 5 H LYS 5 -4.358 30.100 24.905 33 HA LYS 5 HA LYS 5 -2.884 30.429 22.512 34 HB2 LYS 5 HB3 LYS 5 -4.990 32.280 23.661 35 HB3 LYS 5 HB2 LYS 5 -4.489 32.189 21.979 36 HG2 LYS 5 HG3 LYS 5 -5.735 29.886 23.507 37 HG3 LYS 5 HG2 LYS 5 -6.639 30.977 22.462 38 HD2 LYS 5 HD3 LYS 5 -5.445 30.240 20.512 39 HD3 LYS 5 HD2 LYS 5 -4.272 29.354 21.487 40 HE2 LYS 5 HE3 LYS 5 -5.858 27.755 20.627 41 HE3 LYS 5 HE2 LYS 5 -6.152 27.950 22.358 42 HZ1 LYS 5 HZ1 LYS 5 -7.603 29.695 20.509 43 HZ2 LYS 5 HZ2 LYS 5 -8.089 29.057 22.007 44 HZ3 LYS 5 HZ3 LYS 5 -8.099 28.076 20.620 45 H LEU 6 H LEU 6 -2.856 32.132 25.557 46 HA LEU 6 HA LEU 6 -1.428 34.434 24.547 47 HB2 LEU 6 HB3 LEU 6 -2.015 33.588 27.396 48 HB3 LEU 6 HB2 LEU 6 -1.429 35.166 26.886 49 HG LEU 6 HG LEU 6 -4.078 33.940 26.041 50 HD11 LEU 6 HD11 LEU 6 -5.134 35.411 27.591 51 HD12 LEU 6 HD12 LEU 6 -3.631 36.282 27.899 52 HD13 LEU 6 HD13 LEU 6 -3.829 34.629 28.482 53 HD21 LEU 6 HD21 LEU 6 -4.505 36.395 25.356 54 HD22 LEU 6 HD22 LEU 6 -3.431 35.452 24.324 55 HD23 LEU 6 HD23 LEU 6 -2.755 36.605 25.477 56 H ILE 7 H ILE 7 -0.450 31.304 25.325 57 HA ILE 7 HA ILE 7 1.968 31.816 26.730 58 HB ILE 7 HB ILE 7 1.235 29.447 24.982 59 HG12 ILE 7 HG13 ILE 7 1.080 29.762 27.997 60 HG13 ILE 7 HG12 ILE 7 -0.306 29.935 26.926 61 HG21 ILE 7 HG21 ILE 7 3.322 29.679 27.181 62 HG22 ILE 7 HG22 ILE 7 3.694 29.716 25.461 63 HG23 ILE 7 HG23 ILE 7 3.006 28.263 26.178 64 HD11 ILE 7 HD11 ILE 7 -0.120 27.643 27.914 65 HD12 ILE 7 HD12 ILE 7 1.431 27.459 27.091 66 HD13 ILE 7 HD13 ILE 7 -0.051 27.641 26.151 67 H THR 8 H THR 8 4.010 32.118 26.037 68 HA THR 8 HA THR 8 4.377 33.166 23.356 69 HB THR 8 HB THR 8 6.607 33.805 24.189 70 HG1 THR 8 HG1 THR 8 7.349 33.061 26.014 71 HG21 THR 8 HG21 THR 8 5.876 35.509 25.679 72 HG22 THR 8 HG22 THR 8 4.551 34.513 26.281 73 HG23 THR 8 HG23 THR 8 4.488 35.169 24.645 74 H ASP 9 H ASP 9 6.441 32.551 22.196 75 HA ASP 9 HA ASP 9 6.387 29.803 21.584 76 HB2 ASP 9 HB3 ASP 9 8.402 30.272 20.221 77 HB3 ASP 9 HB2 ASP 9 7.119 31.445 19.941 78 H THR 10 H THR 10 8.600 31.725 23.583 79 HA THR 10 HA THR 10 10.480 29.669 24.097 80 HB THR 10 HB THR 10 9.752 32.054 25.831 81 HG1 THR 10 HG1 THR 10 10.589 33.047 24.186 82 HG21 THR 10 HG21 THR 10 11.153 30.120 26.850 83 HG22 THR 10 HG22 THR 10 11.836 31.745 26.932 84 HG23 THR 10 HG23 THR 10 12.407 30.612 25.710 85 H GLU 11 H GLU 11 7.568 30.735 25.837 86 HA GLU 11 HA GLU 11 7.769 29.016 28.053 87 HB2 GLU 11 HB3 GLU 11 5.387 30.236 26.673 88 HB3 GLU 11 HB2 GLU 11 5.252 29.309 28.159 89 HG2 GLU 11 HG3 GLU 11 7.080 31.700 27.860 90 HG3 GLU 11 HG2 GLU 11 5.427 31.832 28.449 91 H TRP 12 H TRP 12 6.354 28.524 24.835 92 HA TRP 12 HA TRP 12 5.186 25.995 25.358 93 HB2 TRP 12 HB3 TRP 12 6.020 27.457 22.879 94 HB3 TRP 12 HB2 TRP 12 5.591 25.756 22.766 95 HD1 TRP 12 HD1 TRP 12 4.079 29.098 22.694 96 HE1 TRP 12 HE1 TRP 12 1.512 28.930 22.902 97 HE3 TRP 12 HE3 TRP 12 3.640 24.261 24.259 98 HZ2 TRP 12 HZ2 TRP 12 -0.471 26.989 23.639 99 HZ3 TRP 12 HZ3 TRP 12 1.415 23.276 24.703 100 HH2 TRP 12 HH2 TRP 12 -0.642 24.627 24.388 101 H ARG 13 H ARG 13 8.418 26.951 24.246 102 HA ARG 13 HA ARG 13 9.387 24.359 23.649 103 HB2 ARG 13 HB3 ARG 13 10.813 26.902 24.447 104 HB3 ARG 13 HB2 ARG 13 11.649 25.433 23.945 105 HG2 ARG 13 HG3 ARG 13 10.497 25.481 21.784 106 HG3 ARG 13 HG2 ARG 13 9.583 26.903 22.286 107 HD2 ARG 13 HD3 ARG 13 11.461 27.606 20.901 108 HD3 ARG 13 HD2 ARG 13 11.717 28.149 22.557 109 HE ARG 13 HE ARG 13 12.926 25.601 22.153 110 HH11 ARG 13 HH11 ARG 13 13.368 28.991 21.381 111 HH12 ARG 13 HH12 ARG 13 15.091 28.856 21.257 112 HH21 ARG 13 HH21 ARG 13 15.169 25.474 21.991 113 HH22 ARG 13 HH22 ARG 13 16.100 26.882 21.601 114 H GLN 14 H GLN 14 9.441 26.301 26.595 115 HA GLN 14 HA GLN 14 10.823 24.208 28.082 116 HB2 GLN 14 HB3 GLN 14 10.518 25.853 30.032 117 HB3 GLN 14 HB2 GLN 14 11.575 26.345 28.714 118 HG2 GLN 14 HG3 GLN 14 10.273 28.093 28.156 119 HG3 GLN 14 HG2 GLN 14 8.791 27.167 28.278 120 HE21 GLN 14 HE21 GLN 14 9.274 29.899 29.256 121 HE22 GLN 14 HE22 GLN 14 8.970 29.858 30.921 122 H ARG 15 H ARG 15 7.665 24.668 27.183 123 HA ARG 15 HA ARG 15 6.404 23.792 29.668 124 HB2 ARG 15 HB3 ARG 15 5.516 24.787 27.007 125 HB3 ARG 15 HB2 ARG 15 4.412 23.694 27.836 126 HG2 ARG 15 HG3 ARG 15 4.200 25.148 29.696 127 HG3 ARG 15 HG2 ARG 15 5.600 26.108 29.220 128 HD2 ARG 15 HD3 ARG 15 4.413 26.924 27.260 129 HD3 ARG 15 HD2 ARG 15 3.038 25.885 27.617 130 HE ARG 15 HE ARG 15 3.742 28.382 28.956 131 HH11 ARG 15 HH11 ARG 15 1.822 25.450 29.069 132 HH12 ARG 15 HH12 ARG 15 0.666 26.115 30.172 133 HH21 ARG 15 HH21 ARG 15 2.213 29.204 30.386 134 HH22 ARG 15 HH22 ARG 15 0.886 28.222 30.911 135 H LEU 16 H LEU 16 7.093 22.561 26.433 136 HA LEU 16 HA LEU 16 6.595 19.830 27.394 137 HB2 LEU 16 HB3 LEU 16 5.542 19.452 25.016 138 HB3 LEU 16 HB2 LEU 16 4.560 20.067 26.334 139 HG LEU 16 HG LEU 16 5.046 22.411 25.457 140 HD11 LEU 16 HD11 LEU 16 7.052 21.855 24.152 141 HD12 LEU 16 HD12 LEU 16 5.817 22.576 23.121 142 HD13 LEU 16 HD13 LEU 16 6.086 20.831 23.087 143 HD21 LEU 16 HD21 LEU 16 3.482 20.324 23.957 144 HD22 LEU 16 HD22 LEU 16 3.543 21.974 23.336 145 HD23 LEU 16 HD23 LEU 16 2.899 21.661 24.944 146 H SER 17 H SER 17 7.152 18.240 25.480 147 HA SER 17 HA SER 17 9.928 18.297 25.145 148 HB2 SER 17 HB3 SER 17 7.781 16.773 23.663 149 HB3 SER 17 HB2 SER 17 9.503 16.480 23.441 150 HG SER 17 HG SER 17 9.523 15.458 25.279 151 H SER 18 H SER 18 11.226 18.551 23.276 152 HA SER 18 HA SER 18 10.683 20.841 21.737 153 HB2 SER 18 HB3 SER 18 12.643 18.587 21.267 154 HB3 SER 18 HB2 SER 18 12.620 20.082 20.335 155 HG SER 18 HG SER 18 13.892 19.701 22.535 156 H GLU 19 H GLU 19 10.291 17.401 21.080 157 HA GLU 19 HA GLU 19 9.473 17.667 18.382 158 HB2 GLU 19 HB3 GLU 19 8.425 15.374 18.790 159 HB3 GLU 19 HB2 GLU 19 10.160 15.494 19.044 160 HG2 GLU 19 HG3 GLU 19 8.446 15.984 21.435 161 HG3 GLU 19 HG2 GLU 19 8.476 14.339 20.826 162 H GLU 20 H GLU 20 7.647 17.568 21.444 163 HA GLU 20 HA GLU 20 5.072 17.676 20.356 164 HB2 GLU 20 HB3 GLU 20 6.193 18.575 23.007 165 HB3 GLU 20 HB2 GLU 20 4.473 18.647 22.619 166 HG2 GLU 20 HG3 GLU 20 4.409 16.255 22.217 167 HG3 GLU 20 HG2 GLU 20 6.152 16.131 22.421 168 H TYR 21 H TYR 21 7.428 20.206 21.083 169 HA TYR 21 HA TYR 21 5.752 22.448 20.885 170 HB2 TYR 21 HB3 TYR 21 8.041 22.585 21.739 171 HB3 TYR 21 HB2 TYR 21 8.689 22.115 20.172 172 HD1 TYR 21 HD1 TYR 21 7.194 24.850 22.132 173 HD2 TYR 21 HD2 TYR 21 8.639 23.664 18.266 174 HE1 TYR 21 HE1 TYR 21 7.226 27.223 21.410 175 HE2 TYR 21 HE2 TYR 21 8.675 26.036 17.549 176 HH TYR 21 HH TYR 21 7.187 28.261 18.503 177 H ARG 22 H ARG 22 7.778 20.934 18.300 178 HA ARG 22 HA ARG 22 6.704 22.651 16.261 179 HB2 ARG 22 HB3 ARG 22 8.030 21.374 14.699 180 HB3 ARG 22 HB2 ARG 22 8.989 21.648 16.148 181 HG2 ARG 22 HG3 ARG 22 8.348 19.356 16.947 182 HG3 ARG 22 HG2 ARG 22 7.518 19.094 15.408 183 HD2 ARG 22 HD3 ARG 22 9.755 18.137 15.282 184 HD3 ARG 22 HD2 ARG 22 9.659 19.536 14.216 185 HE ARG 22 HE ARG 22 10.609 20.275 16.813 186 HH11 ARG 22 HH11 ARG 22 11.625 18.771 13.812 187 HH12 ARG 22 HH12 ARG 22 13.287 19.209 14.022 188 HH21 ARG 22 HH21 ARG 22 12.780 20.827 17.040 189 HH22 ARG 22 HH22 ARG 22 13.934 20.364 15.834 190 H VAL 23 H VAL 23 6.101 19.373 17.311 191 HA VAL 23 HA VAL 23 4.390 18.541 15.250 192 HB VAL 23 HB VAL 23 4.753 17.689 18.129 193 HG11 VAL 23 HG11 VAL 23 3.556 15.580 17.415 194 HG12 VAL 23 HG12 VAL 23 3.015 16.456 15.982 195 HG13 VAL 23 HG13 VAL 23 2.521 16.996 17.584 196 HG21 VAL 23 HG21 VAL 23 6.041 15.903 17.179 197 HG22 VAL 23 HG22 VAL 23 6.577 17.378 16.373 198 HG23 VAL 23 HG23 VAL 23 5.480 16.280 15.551 199 H LEU 24 H LEU 24 3.720 20.165 18.323 200 HA LEU 24 HA LEU 24 0.858 20.193 17.917 201 HB2 LEU 24 HB3 LEU 24 2.660 21.505 19.958 202 HB3 LEU 24 HB2 LEU 24 0.905 21.675 19.967 203 HG LEU 24 HG LEU 24 2.270 18.969 19.962 204 HD11 LEU 24 HD11 LEU 24 1.671 18.999 22.442 205 HD12 LEU 24 HD12 LEU 24 1.448 20.740 22.272 206 HD13 LEU 24 HD13 LEU 24 3.028 20.019 21.967 207 HD21 LEU 24 HD21 LEU 24 -0.536 19.989 20.467 208 HD22 LEU 24 HD22 LEU 24 -0.016 18.413 21.070 209 HD23 LEU 24 HD23 LEU 24 -0.005 18.743 19.340 210 H ARG 25 H ARG 25 3.419 22.162 16.765 211 HA ARG 25 HA ARG 25 1.785 24.581 16.640 212 HB2 ARG 25 HB3 ARG 25 4.374 24.406 17.091 213 HB3 ARG 25 HB2 ARG 25 4.479 24.366 15.338 214 HG2 ARG 25 HG3 ARG 25 2.831 26.492 16.712 215 HG3 ARG 25 HG2 ARG 25 4.577 26.678 16.579 216 HD2 ARG 25 HD3 ARG 25 2.674 26.255 14.255 217 HD3 ARG 25 HD2 ARG 25 3.420 27.782 14.704 218 HE ARG 25 HE ARG 25 4.704 25.554 13.348 219 HH11 ARG 25 HH11 ARG 25 5.178 28.503 15.183 220 HH12 ARG 25 HH12 ARG 25 6.790 28.744 14.598 221 HH21 ARG 25 HH21 ARG 25 6.801 25.909 12.610 222 HH22 ARG 25 HH22 ARG 25 7.698 27.288 13.150 223 H GLU 26 H GLU 26 3.458 22.438 14.284 224 HA GLU 26 HA GLU 26 1.451 23.289 12.284 225 HB2 GLU 26 HB3 GLU 26 3.208 23.351 10.562 226 HB3 GLU 26 HB2 GLU 26 3.509 24.520 11.845 227 HG2 GLU 26 HG3 GLU 26 5.081 22.913 12.912 228 HG3 GLU 26 HG2 GLU 26 4.809 21.788 11.587 229 H ALA 27 H ALA 27 1.773 20.767 13.939 230 HA ALA 27 HA ALA 27 1.560 18.490 13.655 231 HB1 ALA 27 HB1 ALA 27 0.792 18.569 10.825 232 HB2 ALA 27 HB2 ALA 27 -0.082 19.747 11.794 233 HB3 ALA 27 HB3 ALA 27 -0.132 18.041 12.229 234 H GLY 28 H GLY 28 4.110 19.235 13.508 235 HA2 GLY 28 HA3 GLY 28 5.576 18.746 11.187 236 HA3 GLY 28 HA2 GLY 28 6.197 18.597 12.820 237 H THR 29 H THR 29 4.689 16.442 13.798 238 HA THR 29 HA THR 29 4.534 14.203 12.081 239 HB THR 29 HB THR 29 6.974 14.474 11.855 240 HG1 THR 29 HG1 THR 29 7.193 12.403 11.945 241 HG21 THR 29 HG21 THR 29 7.495 15.592 13.948 242 HG22 THR 29 HG22 THR 29 8.418 14.092 13.860 243 HG23 THR 29 HG23 THR 29 6.975 14.180 14.870 244 H GLU 30 H GLU 30 4.928 12.064 13.519 245 HA GLU 30 HA GLU 30 4.122 12.446 16.295 246 HB2 GLU 30 HB3 GLU 30 2.186 10.856 16.033 247 HB3 GLU 30 HB2 GLU 30 1.941 12.416 15.255 248 HG2 GLU 30 HG3 GLU 30 2.578 11.440 13.079 249 HG3 GLU 30 HG2 GLU 30 2.844 9.879 13.848 250 H ALA 31 H ALA 31 6.480 11.641 15.947 251 HA ALA 31 HA ALA 31 6.622 8.725 15.624 252 HB1 ALA 31 HB1 ALA 31 8.886 10.690 15.990 253 HB2 ALA 31 HB2 ALA 31 8.235 10.214 14.421 254 HB3 ALA 31 HB3 ALA 31 9.000 9.012 15.460 255 HA PRO 32 HA PRO 32 6.716 8.530 20.167 256 HB2 PRO 32 HB3 PRO 32 6.585 5.829 20.382 257 HB3 PRO 32 HB2 PRO 32 5.172 6.824 19.973 258 HG2 PRO 32 HG3 PRO 32 6.974 5.291 18.144 259 HG3 PRO 32 HG2 PRO 32 5.207 5.358 18.172 260 HD2 PRO 32 HD3 PRO 32 6.668 6.802 16.443 261 HD3 PRO 32 HD2 PRO 32 5.131 7.393 17.112 262 H HIS 33 H HIS 33 7.997 6.591 21.575 263 HA HIS 33 HA HIS 33 10.025 5.926 22.380 264 HB2 HIS 33 HB3 HIS 33 10.720 5.866 19.437 265 HB3 HIS 33 HB2 HIS 33 11.769 5.253 20.714 266 HD1 HIS 33 HD1 HIS 33 10.989 3.115 21.988 267 HD2 HIS 33 HD2 HIS 33 8.428 4.280 18.922 268 HE1 HIS 33 HE1 HIS 33 9.401 1.177 21.610 269 HE2 HIS 33 HE2 HIS 33 7.833 1.871 19.735 270 H THR 34 H THR 34 9.422 8.719 22.251 271 HA THR 34 HA THR 34 12.136 9.882 21.989 272 HB THR 34 HB THR 34 11.026 12.063 21.675 273 HG1 THR 34 HG1 THR 34 8.682 10.471 21.652 274 HG21 THR 34 HG21 THR 34 9.856 10.114 19.694 275 HG22 THR 34 HG22 THR 34 11.589 10.444 19.754 276 HG23 THR 34 HG23 THR 34 10.453 11.750 19.405 277 H GLY 35 H GLY 35 10.391 8.601 24.321 278 HA2 GLY 35 HA3 GLY 35 11.294 10.518 26.333 279 HA3 GLY 35 HA2 GLY 35 9.581 10.103 26.321 280 H GLU 36 H GLU 36 12.425 9.404 27.726 281 HA GLU 36 HA GLU 36 12.389 6.562 27.897 282 HB2 GLU 36 HB3 GLU 36 14.137 6.869 29.534 283 HB3 GLU 36 HB2 GLU 36 14.350 8.013 28.210 284 HG2 GLU 36 HG3 GLU 36 13.230 9.771 29.568 285 HG3 GLU 36 HG2 GLU 36 13.136 8.633 30.910 286 H TYR 37 H TYR 37 10.671 9.045 29.525 287 HA TYR 37 HA TYR 37 9.932 7.376 31.809 288 HB2 TYR 37 HB3 TYR 37 9.151 10.200 31.052 289 HB3 TYR 37 HB2 TYR 37 8.650 9.382 32.532 290 HD1 TYR 37 HD1 TYR 37 11.434 10.962 30.743 291 HD2 TYR 37 HD2 TYR 37 10.295 8.807 34.280 292 HE1 TYR 37 HE1 TYR 37 13.573 11.604 31.822 293 HE2 TYR 37 HE2 TYR 37 12.434 9.448 35.359 294 HH TYR 37 HH TYR 37 14.536 11.827 34.004 295 H THR 38 H THR 38 9.035 6.954 28.860 296 HA THR 38 HA THR 38 6.150 7.240 29.015 297 HB THR 38 HB THR 38 6.204 6.198 26.767 298 HG1 THR 38 HG1 THR 38 8.015 4.892 27.061 299 HG21 THR 38 HG21 THR 38 6.366 8.576 26.792 300 HG22 THR 38 HG22 THR 38 7.634 8.025 25.696 301 HG23 THR 38 HG23 THR 38 8.042 8.525 27.338 302 H ASN 39 H ASN 39 8.124 5.113 30.503 303 HA ASN 39 HA ASN 39 6.834 2.617 29.808 304 HB2 ASN 39 HB3 ASN 39 9.228 2.799 30.548 305 HB3 ASN 39 HB2 ASN 39 8.642 3.218 32.156 306 HD21 ASN 39 HD21 ASN 39 9.221 1.307 33.290 307 HD22 ASN 39 HD22 ASN 39 8.626 -0.231 32.890 308 H THR 40 H THR 40 4.737 2.484 30.347 309 HA THR 40 HA THR 40 4.037 2.564 33.176 310 HB THR 40 HB THR 40 3.559 4.857 32.452 311 HG1 THR 40 HG1 THR 40 1.396 4.849 33.070 312 HG21 THR 40 HG21 THR 40 1.811 5.259 30.723 313 HG22 THR 40 HG22 THR 40 1.799 3.533 30.365 314 HG23 THR 40 HG23 THR 40 3.248 4.488 30.054 315 H THR 41 H THR 41 2.178 1.348 33.686 316 HA THR 41 HA THR 41 0.972 -0.192 31.479 317 HB THR 41 HB THR 41 1.104 -2.204 32.984 318 HG1 THR 41 HG1 THR 41 1.621 -1.358 34.923 319 HG21 THR 41 HG21 THR 41 3.563 -2.578 32.452 320 HG22 THR 41 HG22 THR 41 3.600 -0.909 31.881 321 HG23 THR 41 HG23 THR 41 2.560 -2.091 31.086 322 H THR 42 H THR 42 -0.276 1.918 32.559 323 HA THR 42 HA THR 42 -2.394 0.712 34.235 324 HB THR 42 HB THR 42 -1.500 3.605 34.320 325 HG1 THR 42 HG1 THR 42 0.052 2.370 35.294 326 HG21 THR 42 HG21 THR 42 -3.873 3.263 34.876 327 HG22 THR 42 HG22 THR 42 -2.954 3.683 36.321 328 HG23 THR 42 HG23 THR 42 -3.426 2.010 36.033 329 H GLU 43 H GLU 43 -4.485 1.175 33.696 330 HA GLU 43 HA GLU 43 -4.909 2.461 31.073 331 HB2 GLU 43 HB3 GLU 43 -6.583 0.397 32.537 332 HB3 GLU 43 HB2 GLU 43 -7.007 1.132 30.991 333 HG2 GLU 43 HG3 GLU 43 -4.946 0.226 29.987 334 HG3 GLU 43 HG2 GLU 43 -4.511 -0.505 31.532 335 H GLY 44 H GLY 44 -5.393 4.531 31.494 336 HA2 GLY 44 HA3 GLY 44 -7.620 5.054 33.353 337 HA3 GLY 44 HA2 GLY 44 -6.137 5.982 33.460 338 H ILE 45 H ILE 45 -6.229 7.894 32.563 339 HA ILE 45 HA ILE 45 -7.955 8.268 30.187 340 HB ILE 45 HB ILE 45 -7.485 10.195 32.479 341 HG12 ILE 45 HG13 ILE 45 -10.145 8.991 31.678 342 HG13 ILE 45 HG12 ILE 45 -9.064 8.085 32.731 343 HG21 ILE 45 HG21 ILE 45 -9.425 10.483 30.170 344 HG22 ILE 45 HG22 ILE 45 -7.799 11.171 30.117 345 HG23 ILE 45 HG23 ILE 45 -8.950 11.711 31.346 346 HD11 ILE 45 HD11 ILE 45 -9.754 10.951 33.355 347 HD12 ILE 45 HD12 ILE 45 -9.163 9.683 34.437 348 HD13 ILE 45 HD13 ILE 45 -10.822 9.630 33.835 349 H TYR 46 H TYR 46 -7.095 9.200 28.497 350 HA TYR 46 HA TYR 46 -4.300 9.696 28.308 351 HB2 TYR 46 HB3 TYR 46 -6.658 10.119 26.491 352 HB3 TYR 46 HB2 TYR 46 -5.052 10.674 26.031 353 HD1 TYR 46 HD1 TYR 46 -6.813 7.623 27.324 354 HD2 TYR 46 HD2 TYR 46 -3.639 9.204 24.908 355 HE1 TYR 46 HE1 TYR 46 -6.253 5.326 26.567 356 HE2 TYR 46 HE2 TYR 46 -3.066 6.902 24.157 357 HH TYR 46 HH TYR 46 -4.187 4.142 25.674 358 H SER 47 H SER 47 -3.187 11.642 28.297 359 HA SER 47 HA SER 47 -4.762 14.086 28.448 360 HB2 SER 47 HB3 SER 47 -3.542 14.934 30.369 361 HB3 SER 47 HB2 SER 47 -4.377 13.441 30.776 362 HG SER 47 HG SER 47 -2.205 13.449 31.500 363 H CYS 48 H CYS 48 -4.015 15.634 27.258 364 HA CYS 48 HA CYS 48 -1.801 15.478 25.546 365 HB2 CYS 48 HB3 CYS 48 -3.953 17.079 25.684 366 HB3 CYS 48 HB2 CYS 48 -2.809 18.150 26.455 367 H ARG 49 H ARG 49 0.324 15.736 26.011 368 HA ARG 49 HA ARG 49 1.233 16.308 28.631 369 HB2 ARG 49 HB3 ARG 49 2.533 15.030 26.886 370 HB3 ARG 49 HB2 ARG 49 2.876 16.573 26.103 371 HG2 ARG 49 HG3 ARG 49 4.108 17.376 27.971 372 HG3 ARG 49 HG2 ARG 49 3.477 16.117 29.033 373 HD2 ARG 49 HD3 ARG 49 4.697 14.410 27.758 374 HD3 ARG 49 HD2 ARG 49 5.305 15.643 26.664 375 HE ARG 49 HE ARG 49 6.846 16.277 28.285 376 HH11 ARG 49 HH11 ARG 49 4.429 14.196 29.739 377 HH12 ARG 49 HH12 ARG 49 5.302 14.027 31.225 378 HH21 ARG 49 HH21 ARG 49 7.956 16.014 30.225 379 HH22 ARG 49 HH22 ARG 49 7.284 15.049 31.496 380 H ALA 50 H ALA 50 0.619 18.292 25.825 381 HA ALA 50 HA ALA 50 1.988 20.643 26.530 382 HB1 ALA 50 HB1 ALA 50 -0.505 20.151 24.907 383 HB2 ALA 50 HB2 ALA 50 1.154 20.344 24.312 384 HB3 ALA 50 HB3 ALA 50 0.301 21.721 25.007 385 H CYS 51 H CYS 51 -1.451 19.793 27.065 386 HA CYS 51 HA CYS 51 -1.591 21.991 29.052 387 HB2 CYS 51 HB3 CYS 51 -4.126 21.878 28.466 388 HB3 CYS 51 HB2 CYS 51 -3.027 22.700 27.364 389 H GLY 52 H GLY 52 -2.678 18.711 28.300 390 HA2 GLY 52 HA3 GLY 52 -2.737 17.008 29.989 391 HA3 GLY 52 HA2 GLY 52 -3.081 18.250 31.184 392 H THR 53 H THR 53 -4.733 18.249 28.096 393 HA THR 53 HA THR 53 -7.295 18.076 29.414 394 HB THR 53 HB THR 53 -7.708 17.712 26.641 395 HG1 THR 53 HG1 THR 53 -5.493 18.144 26.377 396 HG21 THR 53 HG21 THR 53 -8.825 19.267 28.377 397 HG22 THR 53 HG22 THR 53 -8.681 19.848 26.719 398 HG23 THR 53 HG23 THR 53 -7.555 20.416 27.952 399 H GLU 54 H GLU 54 -8.841 16.468 29.325 400 HA GLU 54 HA GLU 54 -7.836 13.778 29.093 401 HB2 GLU 54 HB3 GLU 54 -10.659 14.781 29.534 402 HB3 GLU 54 HB2 GLU 54 -10.139 13.103 29.679 403 HG2 GLU 54 HG3 GLU 54 -8.541 13.798 31.459 404 HG3 GLU 54 HG2 GLU 54 -9.173 15.438 31.339 405 H LEU 55 H LEU 55 -7.147 14.220 26.858 406 HA LEU 55 HA LEU 55 -8.851 14.662 24.687 407 HB2 LEU 55 HB3 LEU 55 -6.301 13.022 24.796 408 HB3 LEU 55 HB2 LEU 55 -7.009 13.687 23.337 409 HG LEU 55 HG LEU 55 -5.931 15.270 25.690 410 HD11 LEU 55 HD11 LEU 55 -4.843 14.663 22.952 411 HD12 LEU 55 HD12 LEU 55 -4.094 14.373 24.522 412 HD13 LEU 55 HD13 LEU 55 -4.257 16.018 23.913 413 HD21 LEU 55 HD21 LEU 55 -6.469 16.677 23.116 414 HD22 LEU 55 HD22 LEU 55 -6.660 17.235 24.780 415 HD23 LEU 55 HD23 LEU 55 -7.891 16.224 24.047 416 H PHE 56 H PHE 56 -7.819 11.633 26.202 417 HA PHE 56 HA PHE 56 -10.125 10.303 24.984 418 HB2 PHE 56 HB3 PHE 56 -7.265 9.343 24.678 419 HB3 PHE 56 HB2 PHE 56 -8.685 8.355 24.319 420 HD1 PHE 56 HD1 PHE 56 -6.626 11.203 23.262 421 HD2 PHE 56 HD2 PHE 56 -10.187 8.942 22.455 422 HE1 PHE 56 HE1 PHE 56 -6.784 12.252 21.021 423 HE2 PHE 56 HE2 PHE 56 -10.346 9.991 20.214 424 HZ PHE 56 HZ PHE 56 -8.644 11.646 19.496 425 H ARG 57 H ARG 57 -10.357 8.012 25.911 426 HA ARG 57 HA ARG 57 -9.308 7.833 28.655 427 HB2 ARG 57 HB3 ARG 57 -11.607 6.881 29.316 428 HB3 ARG 57 HB2 ARG 57 -11.451 8.624 29.155 429 HG2 ARG 57 HG3 ARG 57 -12.454 8.532 26.918 430 HG3 ARG 57 HG2 ARG 57 -12.552 6.776 27.013 431 HD2 ARG 57 HD3 ARG 57 -14.727 7.725 27.596 432 HD3 ARG 57 HD2 ARG 57 -14.007 7.011 29.034 433 HE ARG 57 HE ARG 57 -13.269 9.718 28.932 434 HH11 ARG 57 HH11 ARG 57 -16.116 7.746 29.456 435 HH12 ARG 57 HH12 ARG 57 -16.891 8.927 30.458 436 HH21 ARG 57 HH21 ARG 57 -14.322 11.237 30.223 437 HH22 ARG 57 HH22 ARG 57 -15.887 10.890 30.881 438 H SER 58 H SER 58 -9.550 5.673 29.618 439 HA SER 58 HA SER 58 -8.453 3.724 27.869 440 HB2 SER 58 HB3 SER 58 -8.374 2.286 29.841 441 HB3 SER 58 HB2 SER 58 -7.786 3.902 30.213 442 HG SER 58 HG SER 58 -9.265 3.149 31.783 443 H THR 59 H THR 59 -11.737 4.439 28.450 444 HA THR 59 HA THR 59 -12.651 1.691 28.229 445 HB THR 59 HB THR 59 -13.976 3.287 29.525 446 HG1 THR 59 HG1 THR 59 -15.014 1.557 28.451 447 HG21 THR 59 HG21 THR 59 -14.558 4.646 26.886 448 HG22 THR 59 HG22 THR 59 -13.431 5.262 28.087 449 HG23 THR 59 HG23 THR 59 -15.141 5.126 28.480 450 H GLU 60 H GLU 60 -12.099 4.367 26.033 451 HA GLU 60 HA GLU 60 -13.249 2.792 23.812 452 HB2 GLU 60 HB3 GLU 60 -13.114 5.671 24.432 453 HB3 GLU 60 HB2 GLU 60 -12.688 5.296 22.769 454 HG2 GLU 60 HG3 GLU 60 -15.064 5.684 22.826 455 HG3 GLU 60 HG2 GLU 60 -14.832 3.950 22.617 456 H LYS 61 H LYS 61 -10.410 2.673 25.124 457 HA LYS 61 HA LYS 61 -8.681 3.473 22.948 458 HB2 LYS 61 HB3 LYS 61 -6.860 2.595 24.282 459 HB3 LYS 61 HB2 LYS 61 -7.927 3.532 25.323 460 HG2 LYS 61 HG3 LYS 61 -9.026 1.414 26.046 461 HG3 LYS 61 HG2 LYS 61 -7.887 0.508 25.060 462 HD2 LYS 61 HD3 LYS 61 -6.965 2.434 27.201 463 HD3 LYS 61 HD2 LYS 61 -7.301 0.739 27.550 464 HE2 LYS 61 HE3 LYS 61 -5.670 0.085 25.785 465 HE3 LYS 61 HE2 LYS 61 -5.296 1.789 25.528 466 HZ1 LYS 61 HZ1 LYS 61 -4.879 1.763 28.067 467 HZ2 LYS 61 HZ2 LYS 61 -3.686 1.159 27.017 468 HZ3 LYS 61 HZ3 LYS 61 -4.707 0.089 27.855 469 H PHE 62 H PHE 62 -7.279 2.008 21.782 470 HA PHE 62 HA PHE 62 -8.100 -0.794 21.607 471 HB2 PHE 62 HB3 PHE 62 -9.558 0.508 20.012 472 HB3 PHE 62 HB2 PHE 62 -8.098 0.973 19.150 473 HD1 PHE 62 HD1 PHE 62 -10.069 -1.975 20.297 474 HD2 PHE 62 HD2 PHE 62 -7.084 -0.504 17.581 475 HE1 PHE 62 HE1 PHE 62 -10.123 -4.129 19.070 476 HE2 PHE 62 HE2 PHE 62 -7.137 -2.659 16.356 477 HZ PHE 62 HZ PHE 62 -8.657 -4.472 17.100 478 H ASN 63 H ASN 63 -6.360 -2.072 21.267 479 HA ASN 63 HA ASN 63 -4.176 -2.710 20.936 480 HB2 ASN 63 HB3 ASN 63 -4.436 -0.552 18.841 481 HB3 ASN 63 HB2 ASN 63 -2.962 -1.494 19.044 482 HD21 ASN 63 HD21 ASN 63 -4.564 -1.592 16.643 483 HD22 ASN 63 HD22 ASN 63 -5.207 -3.158 16.510 484 H SER 64 H SER 64 -3.134 -2.269 22.813 485 HA SER 64 HA SER 64 -2.581 0.288 23.850 486 HB2 SER 64 HB3 SER 64 -1.016 -0.866 25.345 487 HB3 SER 64 HB2 SER 64 -2.523 -1.767 25.205 488 HG SER 64 HG SER 64 -1.245 -3.346 24.654 489 H HIS 65 H HIS 65 -0.674 -1.854 21.762 490 HA HIS 65 HA HIS 65 1.005 0.439 21.028 491 HB2 HIS 65 HB3 HIS 65 2.118 -2.218 21.962 492 HB3 HIS 65 HB2 HIS 65 3.066 -0.932 21.216 493 HD1 HIS 65 HD1 HIS 65 1.111 -1.734 24.345 494 HD2 HIS 65 HD2 HIS 65 3.645 1.253 22.915 495 HE1 HIS 65 HE1 HIS 65 1.644 -0.240 26.320 496 HE2 HIS 65 HE2 HIS 65 3.188 1.587 25.465 497 H CYS 66 H CYS 66 1.633 0.451 18.934 498 HA CYS 66 HA CYS 66 1.969 -1.711 17.199 499 HB2 CYS 66 HB3 CYS 66 -0.847 -0.929 17.592 500 HB3 CYS 66 HB2 CYS 66 -0.359 -0.924 15.901 501 HG CYS 66 HG CYS 66 0.656 -3.472 16.884 502 H GLY 67 H GLY 67 3.087 0.864 17.822 503 HA2 GLY 67 HA3 GLY 67 4.228 2.498 16.631 504 HA3 GLY 67 HA2 GLY 67 3.483 1.887 15.154 505 H TRP 68 H TRP 68 1.071 2.312 15.001 506 HA TRP 68 HA TRP 68 0.320 4.908 16.175 507 HB2 TRP 68 HB3 TRP 68 -0.064 4.091 13.274 508 HB3 TRP 68 HB2 TRP 68 -0.660 5.578 14.007 509 HD1 TRP 68 HD1 TRP 68 1.147 7.393 14.745 510 HE1 TRP 68 HE1 TRP 68 3.550 7.846 13.921 511 HE3 TRP 68 HE3 TRP 68 2.095 2.982 12.372 512 HZ2 TRP 68 HZ2 TRP 68 5.601 6.503 12.444 513 HZ3 TRP 68 HZ3 TRP 68 4.276 2.591 11.264 514 HH2 TRP 68 HH2 TRP 68 6.030 4.345 11.297 515 HA PRO 69 HA PRO 69 -2.877 1.420 16.709 516 HB2 PRO 69 HB3 PRO 69 -3.065 2.679 19.403 517 HB3 PRO 69 HB2 PRO 69 -2.987 0.963 18.956 518 HG2 PRO 69 HG3 PRO 69 -0.901 2.162 20.041 519 HG3 PRO 69 HG2 PRO 69 -0.691 0.990 18.724 520 HD2 PRO 69 HD3 PRO 69 -0.601 3.997 18.598 521 HD3 PRO 69 HD2 PRO 69 0.450 2.805 17.800 522 H SER 70 H SER 70 -5.040 1.690 16.393 523 HA SER 70 HA SER 70 -6.061 4.375 16.033 524 HB2 SER 70 HB3 SER 70 -8.021 3.297 15.125 525 HB3 SER 70 HB2 SER 70 -6.602 2.468 14.493 526 HG SER 70 HG SER 70 -8.604 1.410 15.791 527 H PHE 71 H PHE 71 -8.175 5.028 16.997 528 HA PHE 71 HA PHE 71 -8.734 3.791 19.608 529 HB2 PHE 71 HB3 PHE 71 -8.281 6.754 19.187 530 HB3 PHE 71 HB2 PHE 71 -8.886 6.023 20.668 531 HD1 PHE 71 HD1 PHE 71 -5.947 6.490 18.505 532 HD2 PHE 71 HD2 PHE 71 -7.437 4.650 22.085 533 HE1 PHE 71 HE1 PHE 71 -3.622 6.046 19.246 534 HE2 PHE 71 HE2 PHE 71 -5.114 4.203 22.826 535 HZ PHE 71 HZ PHE 71 -3.206 4.902 21.406 536 H PHE 72 H PHE 72 -10.859 4.295 20.424 537 HA PHE 72 HA PHE 72 -12.774 4.653 18.257 538 HB2 PHE 72 HB3 PHE 72 -13.327 4.049 21.177 539 HB3 PHE 72 HB2 PHE 72 -14.467 3.921 19.848 540 HD1 PHE 72 HD1 PHE 72 -12.433 2.025 21.927 541 HD2 PHE 72 HD2 PHE 72 -13.421 2.434 17.765 542 HE1 PHE 72 HE1 PHE 72 -11.691 -0.303 21.522 543 HE2 PHE 72 HE2 PHE 72 -12.679 0.103 17.365 544 HZ PHE 72 HZ PHE 72 -11.815 -1.265 19.241 545 H SER 73 H SER 73 -14.917 5.835 19.664 546 HA SER 73 HA SER 73 -14.630 8.517 19.176 547 HB2 SER 73 HB3 SER 73 -16.645 8.839 20.405 548 HB3 SER 73 HB2 SER 73 -16.737 7.220 19.724 549 HG SER 73 HG SER 73 -17.095 7.752 22.166 550 HA PRO 74 HA PRO 74 -12.123 10.042 22.590 551 HB2 PRO 74 HB3 PRO 74 -12.598 12.708 22.422 552 HB3 PRO 74 HB2 PRO 74 -11.651 11.848 21.188 553 HG2 PRO 74 HG3 PRO 74 -14.532 12.636 21.124 554 HG3 PRO 74 HG2 PRO 74 -13.294 12.816 19.870 555 HD2 PRO 74 HD3 PRO 74 -15.106 10.788 19.861 556 HD3 PRO 74 HD2 PRO 74 -13.461 10.600 19.212 557 H LEU 75 H LEU 75 -12.570 11.843 24.482 558 HA LEU 75 HA LEU 75 -14.404 10.759 26.240 559 HB2 LEU 75 HB3 LEU 75 -12.780 13.185 26.112 560 HB3 LEU 75 HB2 LEU 75 -14.311 13.498 26.923 561 HG LEU 75 HG LEU 75 -13.843 11.411 28.314 562 HD11 LEU 75 HD11 LEU 75 -12.042 10.582 26.723 563 HD12 LEU 75 HD12 LEU 75 -11.592 10.578 28.428 564 HD13 LEU 75 HD13 LEU 75 -11.004 11.856 27.364 565 HD21 LEU 75 HD21 LEU 75 -13.605 13.566 29.324 566 HD22 LEU 75 HD22 LEU 75 -12.096 13.863 28.465 567 HD23 LEU 75 HD23 LEU 75 -12.155 12.655 29.749 568 H ALA 76 H ALA 76 -14.925 13.873 24.545 569 HA ALA 76 HA ALA 76 -17.685 13.155 23.973 570 HB1 ALA 76 HB1 ALA 76 -18.772 14.592 25.401 571 HB2 ALA 76 HB2 ALA 76 -17.389 15.678 25.534 572 HB3 ALA 76 HB3 ALA 76 -17.396 14.148 26.412 573 H GLY 77 H GLY 77 -14.991 14.359 22.812 574 HA2 GLY 77 HA3 GLY 77 -14.526 15.598 20.915 575 HA3 GLY 77 HA2 GLY 77 -16.253 15.889 20.735 576 H ASP 78 H ASP 78 -15.172 16.708 23.841 577 HA ASP 78 HA ASP 78 -15.329 19.565 23.225 578 HB2 ASP 78 HB3 ASP 78 -15.326 18.075 25.851 579 HB3 ASP 78 HB2 ASP 78 -15.500 19.814 25.661 580 H LYS 79 H LYS 79 -13.104 17.120 24.317 581 HA LYS 79 HA LYS 79 -11.076 19.093 25.070 582 HB2 LYS 79 HB3 LYS 79 -10.555 16.132 25.025 583 HB3 LYS 79 HB2 LYS 79 -9.872 17.364 26.083 584 HG2 LYS 79 HG3 LYS 79 -12.762 16.409 26.178 585 HG3 LYS 79 HG2 LYS 79 -11.495 15.859 27.258 586 HD2 LYS 79 HD3 LYS 79 -11.226 18.070 28.192 587 HD3 LYS 79 HD2 LYS 79 -12.328 18.754 26.992 588 HE2 LYS 79 HE3 LYS 79 -14.174 17.428 27.872 589 HE3 LYS 79 HE2 LYS 79 -13.098 16.635 29.019 590 HZ1 LYS 79 HZ1 LYS 79 -12.634 18.862 29.962 591 HZ2 LYS 79 HZ2 LYS 79 -14.261 18.398 30.121 592 HZ3 LYS 79 HZ3 LYS 79 -13.807 19.519 28.929 593 H VAL 80 H VAL 80 -12.040 17.231 22.370 594 HA VAL 80 HA VAL 80 -9.600 18.002 20.905 595 HB VAL 80 HB VAL 80 -9.583 15.806 19.745 596 HG11 VAL 80 HG11 VAL 80 -8.479 14.601 21.459 597 HG12 VAL 80 HG12 VAL 80 -9.485 15.305 22.726 598 HG13 VAL 80 HG13 VAL 80 -8.270 16.296 21.903 599 HG21 VAL 80 HG21 VAL 80 -11.865 15.077 19.971 600 HG22 VAL 80 HG22 VAL 80 -11.786 15.175 21.729 601 HG23 VAL 80 HG23 VAL 80 -10.879 13.927 20.876 602 H ILE 81 H ILE 81 -9.946 18.527 18.719 603 HA ILE 81 HA ILE 81 -12.778 18.497 17.835 604 HB ILE 81 HB ILE 81 -10.741 20.691 17.880 605 HG12 ILE 81 HG13 ILE 81 -12.746 22.086 18.244 606 HG13 ILE 81 HG12 ILE 81 -13.779 20.688 17.962 607 HG21 ILE 81 HG21 ILE 81 -12.794 20.494 15.652 608 HG22 ILE 81 HG22 ILE 81 -11.041 20.439 15.451 609 HG23 ILE 81 HG23 ILE 81 -11.819 21.918 16.022 610 HD11 ILE 81 HD11 ILE 81 -13.308 19.758 20.013 611 HD12 ILE 81 HD12 ILE 81 -13.062 21.454 20.433 612 HD13 ILE 81 HD13 ILE 81 -11.678 20.425 20.069 613 H GLU 82 H GLU 82 -13.245 17.787 15.853 614 HA GLU 82 HA GLU 82 -11.032 16.725 14.203 615 HB2 GLU 82 HB3 GLU 82 -13.886 15.819 13.894 616 HB3 GLU 82 HB2 GLU 82 -12.404 14.957 13.510 617 HG2 GLU 82 HG3 GLU 82 -11.946 14.903 16.035 618 HG3 GLU 82 HG2 GLU 82 -13.604 15.452 16.244 619 H ARG 83 H ARG 83 -10.697 17.704 12.297 620 HA ARG 83 HA ARG 83 -12.952 18.963 10.874 621 HB2 ARG 83 HB3 ARG 83 -10.312 20.314 11.495 622 HB3 ARG 83 HB2 ARG 83 -11.515 20.937 10.365 623 HG2 ARG 83 HG3 ARG 83 -13.167 21.113 12.146 624 HG3 ARG 83 HG2 ARG 83 -12.060 20.356 13.291 625 HD2 ARG 83 HD3 ARG 83 -12.004 22.765 13.617 626 HD3 ARG 83 HD2 ARG 83 -10.466 22.241 12.938 627 HE ARG 83 HE ARG 83 -12.263 22.987 10.857 628 HH11 ARG 83 HH11 ARG 83 -10.237 24.380 13.355 629 HH12 ARG 83 HH12 ARG 83 -10.007 25.869 12.501 630 HH21 ARG 83 HH21 ARG 83 -11.935 24.940 9.781 631 HH22 ARG 83 HH22 ARG 83 -10.960 26.181 10.495 632 H THR 84 H THR 84 -12.601 19.169 8.573 633 HA THR 84 HA THR 84 -10.719 17.173 7.567 634 HB THR 84 HB THR 84 -13.136 17.225 6.841 635 HG1 THR 84 HG1 THR 84 -11.750 16.113 5.576 636 HG21 THR 84 HG21 THR 84 -12.216 19.607 5.214 637 HG22 THR 84 HG22 THR 84 -13.308 19.704 6.597 638 HG23 THR 84 HG23 THR 84 -13.804 18.840 5.141 639 H ASP 85 H ASP 85 -9.094 17.560 6.089 640 HA ASP 85 HA ASP 85 -8.445 20.378 5.499 641 HB2 ASP 85 HB3 ASP 85 -7.096 19.609 7.420 642 HB3 ASP 85 HB2 ASP 85 -6.478 18.282 6.440 643 H THR 86 H THR 86 -8.207 20.687 3.388 644 HA THR 86 HA THR 86 -7.955 18.485 1.536 645 HB THR 86 HB THR 86 -7.735 21.427 0.863 646 HG1 THR 86 HG1 THR 86 -10.069 21.212 0.583 647 HG21 THR 86 HG21 THR 86 -8.968 19.124 -0.666 648 HG22 THR 86 HG22 THR 86 -7.291 19.632 -0.862 649 HG23 THR 86 HG23 THR 86 -8.601 20.739 -1.273 650 H SER 87 H SER 87 -5.962 17.843 2.662 651 HA SER 87 HA SER 87 -3.537 19.278 2.515 652 HB2 SER 87 HB3 SER 87 -3.814 17.308 3.946 653 HB3 SER 87 HB2 SER 87 -3.990 16.283 2.524 654 HG SER 87 HG SER 87 -1.770 16.970 3.731 655 H HIS 88 H HIS 88 -4.995 16.928 0.310 656 HA HIS 88 HA HIS 88 -3.254 17.925 -1.845 657 HB2 HIS 88 HB3 HIS 88 -2.676 15.575 -0.660 658 HB3 HIS 88 HB2 HIS 88 -3.907 14.996 -1.776 659 HD1 HIS 88 HD1 HIS 88 -3.241 14.744 -4.212 660 HD2 HIS 88 HD2 HIS 88 -0.391 16.835 -2.001 661 HE1 HIS 88 HE1 HIS 88 -1.237 15.043 -5.729 662 HE2 HIS 88 HE2 HIS 88 0.510 16.315 -4.396 663 H GLY 89 H GLY 89 -4.602 15.711 -3.567 664 HA2 GLY 89 HA3 GLY 89 -6.683 17.254 -4.652 665 HA3 GLY 89 HA2 GLY 89 -6.431 15.534 -4.949 666 H MET 90 H MET 90 -6.676 14.663 -2.250 667 HA MET 90 HA MET 90 -9.580 14.978 -1.863 668 HB2 MET 90 HB3 MET 90 -9.456 12.842 -0.623 669 HB3 MET 90 HB2 MET 90 -8.858 12.671 -2.270 670 HG2 MET 90 HG3 MET 90 -6.527 12.909 -1.421 671 HG3 MET 90 HG2 MET 90 -7.155 12.999 0.224 672 HE1 MET 90 HE1 MET 90 -7.494 11.288 -3.025 673 HE2 MET 90 HE2 MET 90 -7.642 9.560 -2.721 674 HE3 MET 90 HE3 MET 90 -6.059 10.328 -2.640 675 H VAL 91 H VAL 91 -10.191 14.592 0.561 676 HA VAL 91 HA VAL 91 -8.468 16.365 2.193 677 HB VAL 91 HB VAL 91 -10.513 17.007 3.408 678 HG11 VAL 91 HG11 VAL 91 -11.705 18.100 1.373 679 HG12 VAL 91 HG12 VAL 91 -10.437 17.339 0.411 680 HG13 VAL 91 HG13 VAL 91 -10.018 18.503 1.665 681 HG21 VAL 91 HG21 VAL 91 -11.717 14.825 2.939 682 HG22 VAL 91 HG22 VAL 91 -12.030 15.430 1.314 683 HG23 VAL 91 HG23 VAL 91 -12.697 16.272 2.712 684 H ARG 92 H ARG 92 -8.360 15.951 4.470 685 HA ARG 92 HA ARG 92 -9.073 13.213 5.306 686 HB2 ARG 92 HB3 ARG 92 -6.381 14.562 5.617 687 HB3 ARG 92 HB2 ARG 92 -6.861 13.117 6.503 688 HG2 ARG 92 HG3 ARG 92 -7.260 11.950 4.347 689 HG3 ARG 92 HG2 ARG 92 -6.716 13.390 3.487 690 HD2 ARG 92 HD3 ARG 92 -5.029 11.897 5.510 691 HD3 ARG 92 HD2 ARG 92 -4.931 11.638 3.771 692 HE ARG 92 HE ARG 92 -4.623 14.380 4.191 693 HH11 ARG 92 HH11 ARG 92 -2.919 11.437 5.041 694 HH12 ARG 92 HH12 ARG 92 -1.370 12.211 5.094 695 HH21 ARG 92 HH21 ARG 92 -2.589 15.346 4.277 696 HH22 ARG 92 HH22 ARG 92 -1.188 14.404 4.662 697 H THR 93 H THR 93 -9.592 13.025 7.514 698 HA THR 93 HA THR 93 -10.305 15.546 8.771 699 HB THR 93 HB THR 93 -10.672 12.752 9.871 700 HG1 THR 93 HG1 THR 93 -12.318 14.351 8.207 701 HG21 THR 93 HG21 THR 93 -12.441 13.807 11.194 702 HG22 THR 93 HG22 THR 93 -12.140 15.354 10.403 703 HG23 THR 93 HG23 THR 93 -10.919 14.656 11.467 704 H GLU 94 H GLU 94 -8.737 16.615 9.714 705 HA GLU 94 HA GLU 94 -6.521 15.306 11.046 706 HB2 GLU 94 HB3 GLU 94 -7.238 18.247 10.822 707 HB3 GLU 94 HB2 GLU 94 -5.728 17.606 11.463 708 HG2 GLU 94 HG3 GLU 94 -5.262 16.556 9.263 709 HG3 GLU 94 HG2 GLU 94 -6.750 17.252 8.628 710 H VAL 95 H VAL 95 -6.247 15.183 13.217 711 HA VAL 95 HA VAL 95 -8.551 15.967 14.887 712 HB VAL 95 HB VAL 95 -6.379 13.912 15.405 713 HG11 VAL 95 HG11 VAL 95 -8.618 15.011 17.099 714 HG12 VAL 95 HG12 VAL 95 -6.964 14.598 17.558 715 HG13 VAL 95 HG13 VAL 95 -8.151 13.322 17.288 716 HG21 VAL 95 HG21 VAL 95 -9.343 13.453 14.999 717 HG22 VAL 95 HG22 VAL 95 -8.045 12.260 14.971 718 HG23 VAL 95 HG23 VAL 95 -8.199 13.424 13.656 719 H ILE 96 H ILE 96 -8.321 17.593 16.210 720 HA ILE 96 HA ILE 96 -5.626 18.421 17.078 721 HB ILE 96 HB ILE 96 -6.432 20.748 17.069 722 HG12 ILE 96 HG13 ILE 96 -8.768 19.810 15.386 723 HG13 ILE 96 HG12 ILE 96 -8.918 19.968 17.134 724 HG21 ILE 96 HG21 ILE 96 -6.560 20.929 14.502 725 HG22 ILE 96 HG22 ILE 96 -6.386 19.170 14.500 726 HG23 ILE 96 HG23 ILE 96 -5.127 20.185 15.205 727 HD11 ILE 96 HD11 ILE 96 -8.461 22.098 15.080 728 HD12 ILE 96 HD12 ILE 96 -7.872 22.344 16.725 729 HD13 ILE 96 HD13 ILE 96 -9.587 22.071 16.435 730 H CYS 97 H CYS 97 -5.565 19.577 19.077 731 HA CYS 97 HA CYS 97 -7.410 18.511 21.067 732 HB2 CYS 97 HB3 CYS 97 -4.912 18.812 21.315 733 HB3 CYS 97 HB2 CYS 97 -5.188 20.535 21.420 734 H ALA 98 H ALA 98 -9.071 19.650 21.963 735 HA ALA 98 HA ALA 98 -10.209 21.813 20.624 736 HB1 ALA 98 HB1 ALA 98 -11.402 20.210 22.121 737 HB2 ALA 98 HB2 ALA 98 -11.804 21.902 22.422 738 HB3 ALA 98 HB3 ALA 98 -10.701 21.053 23.504 739 H ASN 99 H ASN 99 -7.669 21.853 22.978 740 HA ASN 99 HA ASN 99 -8.099 24.735 23.492 741 HB2 ASN 99 HB3 ASN 99 -6.385 24.376 25.306 742 HB3 ASN 99 HB2 ASN 99 -7.899 23.511 25.507 743 HD21 ASN 99 HD21 ASN 99 -7.720 21.351 25.955 744 HD22 ASN 99 HD22 ASN 99 -6.369 20.391 25.613 745 H CYS 100 H CYS 100 -5.734 22.402 22.327 746 HA CYS 100 HA CYS 100 -4.155 24.668 21.248 747 HB2 CYS 100 HB3 CYS 100 -2.096 23.348 21.604 748 HB3 CYS 100 HB2 CYS 100 -2.920 23.741 23.108 749 H GLU 101 H GLU 101 -2.836 24.109 19.350 750 HA GLU 101 HA GLU 101 -4.463 22.671 17.458 751 HB2 GLU 101 HB3 GLU 101 -1.922 24.278 17.221 752 HB3 GLU 101 HB2 GLU 101 -2.585 23.384 15.853 753 HG2 GLU 101 HG3 GLU 101 -4.660 24.612 15.963 754 HG3 GLU 101 HG2 GLU 101 -4.186 25.379 17.477 755 H SER 102 H SER 102 -4.182 20.617 18.670 756 HA SER 102 HA SER 102 -1.663 19.231 18.252 757 HB2 SER 102 HB3 SER 102 -3.058 18.925 20.333 758 HB3 SER 102 HB2 SER 102 -4.252 18.101 19.333 759 HG SER 102 HG SER 102 -2.984 16.477 19.959 760 H HIS 103 H HIS 103 -2.558 20.021 15.857 761 HA HIS 103 HA HIS 103 -4.205 18.107 14.491 762 HB2 HIS 103 HB3 HIS 103 -3.102 19.185 12.395 763 HB3 HIS 103 HB2 HIS 103 -4.192 20.160 13.366 764 HD1 HIS 103 HD1 HIS 103 -3.048 22.388 12.713 765 HD2 HIS 103 HD2 HIS 103 -0.457 19.680 14.544 766 HE1 HIS 103 HE1 HIS 103 -0.954 23.683 13.308 767 HE2 HIS 103 HE2 HIS 103 0.623 22.041 14.428 768 H LEU 104 H LEU 104 -1.562 17.278 15.925 769 HA LEU 104 HA LEU 104 0.145 16.248 13.887 770 HB2 LEU 104 HB3 LEU 104 1.273 15.130 15.730 771 HB3 LEU 104 HB2 LEU 104 0.899 16.799 16.143 772 HG LEU 104 HG LEU 104 -1.346 15.649 17.130 773 HD11 LEU 104 HD11 LEU 104 0.772 13.489 17.105 774 HD12 LEU 104 HD12 LEU 104 -0.920 13.370 16.627 775 HD13 LEU 104 HD13 LEU 104 -0.494 13.518 18.330 776 HD21 LEU 104 HD21 LEU 104 1.215 15.471 18.735 777 HD22 LEU 104 HD22 LEU 104 -0.403 15.896 19.293 778 HD23 LEU 104 HD23 LEU 104 0.508 17.023 18.291 779 H GLY 105 H GLY 105 -2.761 15.084 15.453 780 HA2 GLY 105 HA3 GLY 105 -2.340 12.379 14.375 781 HA3 GLY 105 HA2 GLY 105 -3.503 12.832 15.608 782 H HIS 106 H HIS 106 -4.212 11.308 13.449 783 HA HIS 106 HA HIS 106 -6.154 13.067 12.092 784 HB2 HIS 106 HB3 HIS 106 -4.399 11.000 10.742 785 HB3 HIS 106 HB2 HIS 106 -5.832 11.705 9.999 786 HD1 HIS 106 HD1 HIS 106 -2.473 12.777 11.428 787 HD2 HIS 106 HD2 HIS 106 -5.397 14.174 8.797 788 HE1 HIS 106 HE1 HIS 106 -1.531 14.869 10.353 789 HE2 HIS 106 HE2 HIS 106 -3.301 15.733 8.751 790 H VAL 107 H VAL 107 -8.114 11.977 11.493 791 HA VAL 107 HA VAL 107 -8.444 9.348 12.803 792 HB VAL 107 HB VAL 107 -9.619 11.124 14.017 793 HG11 VAL 107 HG11 VAL 107 -9.951 12.525 11.876 794 HG12 VAL 107 HG12 VAL 107 -11.244 12.533 13.073 795 HG13 VAL 107 HG13 VAL 107 -11.392 11.541 11.619 796 HG21 VAL 107 HG21 VAL 107 -11.449 9.255 12.485 797 HG22 VAL 107 HG22 VAL 107 -11.905 10.131 13.947 798 HG23 VAL 107 HG23 VAL 107 -10.635 8.908 14.012 799 H PHE 108 H PHE 108 -8.970 7.742 11.570 800 HA PHE 108 HA PHE 108 -9.992 8.264 8.843 801 HB2 PHE 108 HB3 PHE 108 -7.804 7.079 9.006 802 HB3 PHE 108 HB2 PHE 108 -8.588 5.802 9.934 803 HD1 PHE 108 HD1 PHE 108 -8.605 7.553 6.640 804 HD2 PHE 108 HD2 PHE 108 -9.801 4.062 8.839 805 HE1 PHE 108 HE1 PHE 108 -9.293 6.456 4.525 806 HE2 PHE 108 HE2 PHE 108 -10.490 2.966 6.724 807 HZ PHE 108 HZ PHE 108 -10.235 4.163 4.566 808 H ALA 109 H ALA 109 -11.998 7.608 8.356 809 HA ALA 109 HA ALA 109 -13.731 6.628 10.372 810 HB1 ALA 109 HB1 ALA 109 -15.174 6.270 8.119 811 HB2 ALA 109 HB2 ALA 109 -13.939 7.375 7.516 812 HB3 ALA 109 HB3 ALA 109 -14.944 7.840 8.891 813 H GLY 110 H GLY 110 -15.322 4.687 9.270 814 HA2 GLY 110 HA3 GLY 110 -13.626 2.412 8.721 815 HA3 GLY 110 HA2 GLY 110 -14.774 2.368 10.063 816 H GLU 111 H GLU 111 -14.965 0.623 8.115 817 HA GLU 111 HA GLU 111 -17.223 1.447 6.418 818 HB2 GLU 111 HB3 GLU 111 -14.975 0.783 5.480 819 HB3 GLU 111 HB2 GLU 111 -15.361 -0.861 6.003 820 HG2 GLU 111 HG3 GLU 111 -17.356 -0.895 4.593 821 HG3 GLU 111 HG2 GLU 111 -17.133 0.802 4.178 822 H GLY 112 H GLY 112 -17.202 0.309 9.271 823 HA2 GLY 112 HA3 GLY 112 -19.096 -0.871 10.184 824 HA3 GLY 112 HA2 GLY 112 -19.109 -1.882 8.741 825 H TYR 113 H TYR 113 -16.450 -0.915 10.846 826 HA TYR 113 HA TYR 113 -15.492 -3.650 11.060 827 HB2 TYR 113 HB3 TYR 113 -14.449 -1.010 12.096 828 HB3 TYR 113 HB2 TYR 113 -13.688 -2.554 12.474 829 HD1 TYR 113 HD1 TYR 113 -14.276 -0.029 9.894 830 HD2 TYR 113 HD2 TYR 113 -12.709 -3.952 10.671 831 HE1 TYR 113 HE1 TYR 113 -13.090 0.012 7.715 832 HE2 TYR 113 HE2 TYR 113 -11.524 -3.910 8.495 833 HH TYR 113 HH TYR 113 -10.832 -1.316 6.830 834 H ASP 114 H ASP 114 -18.019 -2.388 12.468 835 HA ASP 114 HA ASP 114 -19.238 -2.941 14.273 836 HB2 ASP 114 HB3 ASP 114 -17.976 -5.158 14.097 837 HB3 ASP 114 HB2 ASP 114 -16.935 -4.545 15.378 838 H THR 115 H THR 115 -18.475 -0.534 14.400 839 HA THR 115 HA THR 115 -17.740 -0.105 17.205 840 HB THR 115 HB THR 115 -16.564 2.096 16.083 841 HG1 THR 115 HG1 THR 115 -15.244 1.157 14.379 842 HG21 THR 115 HG21 THR 115 -14.376 0.711 16.305 843 HG22 THR 115 HG22 THR 115 -15.432 -0.580 16.878 844 HG23 THR 115 HG23 THR 115 -15.369 0.960 17.744 845 HA PRO 116 HA PRO 116 -21.280 2.576 17.092 846 HB2 PRO 116 HB3 PRO 116 -20.631 4.465 18.976 847 HB3 PRO 116 HB2 PRO 116 -21.154 2.816 19.374 848 HG2 PRO 116 HG3 PRO 116 -18.390 3.940 19.247 849 HG3 PRO 116 HG2 PRO 116 -19.117 2.867 20.459 850 HD2 PRO 116 HD3 PRO 116 -17.492 1.920 18.524 851 HD3 PRO 116 HD2 PRO 116 -18.876 0.977 19.123 852 H THR 117 H THR 117 -18.095 4.019 16.709 853 HA THR 117 HA THR 117 -19.297 6.307 15.246 854 HB THR 117 HB THR 117 -17.258 7.556 15.775 855 HG1 THR 117 HG1 THR 117 -15.911 5.676 15.890 856 HG21 THR 117 HG21 THR 117 -18.217 6.289 18.334 857 HG22 THR 117 HG22 THR 117 -19.263 7.358 17.394 858 HG23 THR 117 HG23 THR 117 -17.743 7.964 18.053 859 H ASP 118 H ASP 118 -17.172 3.598 15.028 860 HA ASP 118 HA ASP 118 -15.900 2.738 13.321 861 HB2 ASP 118 HB3 ASP 118 -17.678 4.510 11.626 862 HB3 ASP 118 HB2 ASP 118 -16.667 3.199 11.024 863 H LEU 119 H LEU 119 -14.778 4.863 14.745 864 HA LEU 119 HA LEU 119 -13.270 6.308 12.644 865 HB2 LEU 119 HB3 LEU 119 -13.836 7.113 15.510 866 HB3 LEU 119 HB2 LEU 119 -12.798 7.998 14.401 867 HG LEU 119 HG LEU 119 -15.705 7.394 13.814 868 HD11 LEU 119 HD11 LEU 119 -16.185 9.676 14.535 869 HD12 LEU 119 HD12 LEU 119 -14.481 9.947 14.902 870 HD13 LEU 119 HD13 LEU 119 -15.418 8.798 15.860 871 HD21 LEU 119 HD21 LEU 119 -13.545 9.090 12.532 872 HD22 LEU 119 HD22 LEU 119 -15.248 9.489 12.299 873 HD23 LEU 119 HD23 LEU 119 -14.630 7.926 11.767 874 H ARG 120 H ARG 120 -11.040 6.358 12.800 875 HA ARG 120 HA ARG 120 -9.798 4.717 14.915 876 HB2 ARG 120 HB3 ARG 120 -9.291 4.601 11.938 877 HB3 ARG 120 HB2 ARG 120 -8.170 3.941 13.127 878 HG2 ARG 120 HG3 ARG 120 -9.970 2.502 14.023 879 HG3 ARG 120 HG2 ARG 120 -11.082 3.150 12.816 880 HD2 ARG 120 HD3 ARG 120 -9.653 2.295 11.014 881 HD3 ARG 120 HD2 ARG 120 -8.502 1.683 12.199 882 HE ARG 120 HE ARG 120 -11.060 0.606 12.750 883 HH11 ARG 120 HH11 ARG 120 -8.506 0.368 10.360 884 HH12 ARG 120 HH12 ARG 120 -8.890 -1.269 9.945 885 HH21 ARG 120 HH21 ARG 120 -11.516 -1.524 12.188 886 HH22 ARG 120 HH22 ARG 120 -10.582 -2.330 10.972 887 H TYR 121 H TYR 121 -9.466 6.834 15.873 888 HA TYR 121 HA TYR 121 -7.894 8.887 14.738 889 HB2 TYR 121 HB3 TYR 121 -8.140 8.091 17.647 890 HB3 TYR 121 HB2 TYR 121 -7.551 9.632 17.049 891 HD1 TYR 121 HD1 TYR 121 -10.523 7.442 17.319 892 HD2 TYR 121 HD2 TYR 121 -9.077 11.363 16.351 893 HE1 TYR 121 HE1 TYR 121 -12.833 8.282 17.340 894 HE2 TYR 121 HE2 TYR 121 -11.405 12.216 16.358 895 HH TYR 121 HH TYR 121 -13.610 11.523 17.466 896 H CYS 122 H CYS 122 -5.723 9.063 14.483 897 HA CYS 122 HA CYS 122 -4.000 6.945 15.626 898 HB2 CYS 122 HB3 CYS 122 -3.579 8.626 13.134 899 HB3 CYS 122 HB2 CYS 122 -2.457 7.415 13.752 900 HG CYS 122 HG CYS 122 -5.043 6.829 12.221 901 H ILE 123 H ILE 123 -3.682 8.034 17.580 902 HA ILE 123 HA ILE 123 -1.774 10.239 17.433 903 HB ILE 123 HB ILE 123 -3.941 10.710 19.442 904 HG12 ILE 123 HG13 ILE 123 -4.431 11.293 16.490 905 HG13 ILE 123 HG12 ILE 123 -5.291 10.096 17.436 906 HG21 ILE 123 HG21 ILE 123 -1.861 12.139 18.969 907 HG22 ILE 123 HG22 ILE 123 -3.396 12.997 19.072 908 HG23 ILE 123 HG23 ILE 123 -2.680 12.656 17.500 909 HD11 ILE 123 HD11 ILE 123 -6.778 11.834 17.610 910 HD12 ILE 123 HD12 ILE 123 -5.523 13.072 17.489 911 HD13 ILE 123 HD13 ILE 123 -5.769 12.205 19.009 912 H ASN 124 H ASN 124 -1.936 10.824 20.287 913 HA ASN 124 HA ASN 124 -0.999 10.110 22.260 914 HB2 ASN 124 HB3 ASN 124 -2.311 7.479 21.507 915 HB3 ASN 124 HB2 ASN 124 -1.817 7.977 23.122 916 HD21 ASN 124 HD21 ASN 124 -4.575 7.493 21.598 917 HD22 ASN 124 HD22 ASN 124 -5.505 8.808 22.133 918 H SER 125 H SER 125 0.663 10.011 19.939 919 HA SER 125 HA SER 125 2.322 7.623 20.498 920 HB2 SER 125 HB3 SER 125 1.960 9.152 17.922 921 HB3 SER 125 HB2 SER 125 3.161 7.886 18.166 922 HG SER 125 HG SER 125 1.506 6.435 18.552 923 H VAL 126 H VAL 126 2.412 11.149 19.978 924 HA VAL 126 HA VAL 126 5.306 11.117 20.097 925 HB VAL 126 HB VAL 126 3.874 12.733 18.689 926 HG11 VAL 126 HG11 VAL 126 2.931 14.634 19.602 927 HG12 VAL 126 HG12 VAL 126 3.984 14.621 21.020 928 HG13 VAL 126 HG13 VAL 126 2.625 13.494 20.912 929 HG21 VAL 126 HG21 VAL 126 6.210 13.645 20.383 930 HG22 VAL 126 HG22 VAL 126 5.596 14.561 19.008 931 HG23 VAL 126 HG23 VAL 126 6.262 12.947 18.765 932 H CYS 127 H CYS 127 4.454 9.912 22.353 933 HA CYS 127 HA CYS 127 4.903 9.877 24.602 934 HB2 CYS 127 HB3 CYS 127 6.953 11.211 23.803 935 HB3 CYS 127 HB2 CYS 127 6.101 12.637 24.397 936 HG CYS 127 HG CYS 127 6.567 11.948 26.739 937 H LEU 128 H LEU 128 2.428 10.173 24.395 938 HA LEU 128 HA LEU 128 1.416 12.686 25.471 939 HB2 LEU 128 HB3 LEU 128 0.113 11.590 23.750 940 HB3 LEU 128 HB2 LEU 128 0.066 10.091 24.665 941 HG LEU 128 HG LEU 128 -1.001 12.516 26.078 942 HD11 LEU 128 HD11 LEU 128 -2.338 13.151 24.372 943 HD12 LEU 128 HD12 LEU 128 -3.280 11.703 24.721 944 HD13 LEU 128 HD13 LEU 128 -2.053 11.679 23.450 945 HD21 LEU 128 HD21 LEU 128 -1.146 10.434 27.233 946 HD22 LEU 128 HD22 LEU 128 -1.746 9.593 25.806 947 HD23 LEU 128 HD23 LEU 128 -2.781 10.745 26.647 948 H THR 129 H THR 129 0.327 12.856 27.495 949 HA THR 129 HA THR 129 1.557 11.191 29.549 950 HB THR 129 HB THR 129 -0.196 13.650 29.789 951 HG1 THR 129 HG1 THR 129 1.748 14.712 29.993 952 HG21 THR 129 HG21 THR 129 1.089 13.743 32.048 953 HG22 THR 129 HG22 THR 129 1.381 12.024 31.783 954 HG23 THR 129 HG23 THR 129 -0.271 12.629 31.911 955 H LEU 130 H LEU 130 0.610 9.726 30.803 956 HA LEU 130 HA LEU 130 -2.234 9.129 30.383 957 HB2 LEU 130 HB3 LEU 130 -0.909 7.149 30.103 958 HB3 LEU 130 HB2 LEU 130 0.052 7.494 31.534 959 HG LEU 130 HG LEU 130 -2.005 7.142 32.949 960 HD11 LEU 130 HD11 LEU 130 -3.349 5.855 30.596 961 HD12 LEU 130 HD12 LEU 130 -3.547 7.580 30.889 962 HD13 LEU 130 HD13 LEU 130 -4.035 6.420 32.122 963 HD21 LEU 130 HD21 LEU 130 -1.263 4.810 31.184 964 HD22 LEU 130 HD22 LEU 130 -2.139 4.711 32.719 965 HD23 LEU 130 HD23 LEU 130 -0.468 5.291 32.688 966 H ILE 131 H ILE 131 -3.692 9.130 31.969 967 HA ILE 131 HA ILE 131 -2.877 10.195 34.601 968 HB ILE 131 HB ILE 131 -5.603 10.255 33.279 969 HG12 ILE 131 HG13 ILE 131 -4.074 11.822 32.155 970 HG13 ILE 131 HG12 ILE 131 -5.271 12.704 33.090 971 HG21 ILE 131 HG21 ILE 131 -5.976 11.942 35.241 972 HG22 ILE 131 HG22 ILE 131 -4.586 11.133 35.975 973 HG23 ILE 131 HG23 ILE 131 -6.035 10.210 35.573 974 HD11 ILE 131 HD11 ILE 131 -3.612 13.032 34.903 975 HD12 ILE 131 HD12 ILE 131 -3.024 13.691 33.376 976 HD13 ILE 131 HD13 ILE 131 -2.414 12.143 33.963 977 HA PRO 132 HA PRO 132 -3.851 5.804 35.420 978 HB2 PRO 132 HB3 PRO 132 -3.089 5.901 38.100 979 HB3 PRO 132 HB2 PRO 132 -2.016 5.508 36.747 980 HG2 PRO 132 HG3 PRO 132 -2.247 7.998 38.291 981 HG3 PRO 132 HG2 PRO 132 -0.877 7.331 37.394 982 HD2 PRO 132 HD3 PRO 132 -2.467 9.432 36.584 983 HD3 PRO 132 HD2 PRO 132 -1.403 8.474 35.528 984 H ALA 133 H ALA 133 -6.021 5.841 35.301 985 HA ALA 133 HA ALA 133 -7.720 7.445 36.828 986 HB1 ALA 133 HB1 ALA 133 -9.480 5.693 36.173 987 HB2 ALA 133 HB2 ALA 133 -8.159 4.840 35.369 988 HB3 ALA 133 HB3 ALA 133 -8.601 6.471 34.857 989 H GLU 134 H GLU 134 -6.946 3.985 37.347 990 HA GLU 134 HA GLU 134 -6.779 4.073 40.131 991 HB2 GLU 134 HB3 GLU 134 -9.235 4.630 39.978 992 HB3 GLU 134 HB2 GLU 134 -9.478 3.074 39.195 993 HG2 GLU 134 HG3 GLU 134 -8.570 1.929 41.188 994 HG3 GLU 134 HG2 GLU 134 -8.306 3.486 41.967 995 H GLU 135 H GLU 135 -8.548 1.877 37.934 996 HA GLU 135 HA GLU 135 -8.274 -0.328 37.418 997 HB2 GLU 135 HB3 GLU 135 -5.354 0.428 37.698 998 HB3 GLU 135 HB2 GLU 135 -5.942 -1.063 36.965 999 HG2 GLU 135 HG3 GLU 135 -6.611 1.738 36.006 1000 HG3 GLU 135 HG2 GLU 135 -5.434 0.664 35.262 1001 H SER 136 H SER 136 -9.033 0.028 39.947 1002 HA SER 136 HA SER 136 -9.185 -0.963 42.011 1003 HB2 SER 136 HB3 SER 136 -9.504 -2.993 40.732 1004 HB3 SER 136 HB2 SER 136 -7.765 -3.172 40.505 1005 HG SER 136 HG SER 136 -8.803 -4.408 42.274 Start of MODEL 13 1 H MET 1 H1 MET 1 -4.345 27.475 31.488 2 HA MET 1 HA MET 1 -5.494 26.680 29.714 3 HB2 MET 1 HB3 MET 1 -7.788 25.764 29.885 4 HB3 MET 1 HB2 MET 1 -6.686 24.949 30.991 5 HG2 MET 1 HG3 MET 1 -7.495 26.365 32.848 6 HG3 MET 1 HG2 MET 1 -8.594 27.189 31.743 7 HE1 MET 1 HE1 MET 1 -9.962 24.786 29.903 8 HE2 MET 1 HE2 MET 1 -10.314 26.383 30.558 9 HE3 MET 1 HE3 MET 1 -11.365 25.026 30.953 10 H THR 2 H THR 2 -5.114 29.304 30.659 11 HA THR 2 HA THR 2 -7.612 30.699 29.930 12 HB THR 2 HB THR 2 -6.480 32.708 30.908 13 HG1 THR 2 HG1 THR 2 -4.342 31.745 30.585 14 HG21 THR 2 HG21 THR 2 -6.851 30.220 32.585 15 HG22 THR 2 HG22 THR 2 -7.996 31.536 32.333 16 HG23 THR 2 HG23 THR 2 -6.543 31.805 33.295 17 H ASN 3 H ASN 3 -7.267 30.166 27.680 18 HA ASN 3 HA ASN 3 -6.628 30.642 25.533 19 HB2 ASN 3 HB3 ASN 3 -7.320 32.924 26.228 20 HB3 ASN 3 HB2 ASN 3 -5.663 33.248 26.731 21 HD21 ASN 3 HD21 ASN 3 -6.267 35.009 24.900 22 HD22 ASN 3 HD22 ASN 3 -5.756 34.586 23.337 23 H PHE 4 H PHE 4 -5.054 29.319 24.897 24 HA PHE 4 HA PHE 4 -2.352 29.483 25.934 25 HB2 PHE 4 HB3 PHE 4 -3.594 27.797 23.752 26 HB3 PHE 4 HB2 PHE 4 -1.921 27.650 24.291 27 HD1 PHE 4 HD1 PHE 4 -5.463 27.284 25.311 28 HD2 PHE 4 HD2 PHE 4 -1.363 26.603 26.395 29 HE1 PHE 4 HE1 PHE 4 -6.196 25.827 27.179 30 HE2 PHE 4 HE2 PHE 4 -2.097 25.151 28.264 31 HZ PHE 4 HZ PHE 4 -4.514 24.762 28.656 32 H LYS 5 H LYS 5 -4.046 31.101 23.484 33 HA LYS 5 HA LYS 5 -2.132 31.328 21.422 34 HB2 LYS 5 HB3 LYS 5 -4.223 33.353 22.282 35 HB3 LYS 5 HB2 LYS 5 -3.418 33.294 20.717 36 HG2 LYS 5 HG3 LYS 5 -5.120 31.039 21.814 37 HG3 LYS 5 HG2 LYS 5 -5.731 32.286 20.732 38 HD2 LYS 5 HD3 LYS 5 -4.265 31.580 18.959 39 HD3 LYS 5 HD2 LYS 5 -3.380 30.503 20.040 40 HE2 LYS 5 HE3 LYS 5 -4.902 29.128 18.798 41 HE3 LYS 5 HE2 LYS 5 -5.544 29.271 20.437 42 HZ1 LYS 5 HZ1 LYS 5 -7.395 29.766 19.231 43 HZ2 LYS 5 HZ2 LYS 5 -6.528 30.448 17.939 44 HZ3 LYS 5 HZ3 LYS 5 -6.748 31.327 19.376 45 H LEU 6 H LEU 6 -2.674 33.146 24.380 46 HA LEU 6 HA LEU 6 -0.887 35.283 23.842 47 HB2 LEU 6 HB3 LEU 6 -1.848 34.215 26.510 48 HB3 LEU 6 HB2 LEU 6 -1.104 35.786 26.238 49 HG LEU 6 HG LEU 6 -3.722 34.845 25.013 50 HD11 LEU 6 HD11 LEU 6 -3.700 35.320 27.504 51 HD12 LEU 6 HD12 LEU 6 -4.815 36.309 26.563 52 HD13 LEU 6 HD13 LEU 6 -3.279 36.985 27.105 53 HD21 LEU 6 HD21 LEU 6 -3.881 37.398 24.516 54 HD22 LEU 6 HD22 LEU 6 -2.841 36.418 23.483 55 HD23 LEU 6 HD23 LEU 6 -2.132 37.406 24.764 56 H ILE 7 H ILE 7 -0.358 32.024 24.850 57 HA ILE 7 HA ILE 7 2.004 32.281 26.349 58 HB ILE 7 HB ILE 7 1.144 30.014 24.524 59 HG12 ILE 7 HG13 ILE 7 0.840 30.314 27.530 60 HG13 ILE 7 HG12 ILE 7 -0.442 30.684 26.382 61 HG21 ILE 7 HG21 ILE 7 3.146 30.054 26.819 62 HG22 ILE 7 HG22 ILE 7 3.564 29.935 25.111 63 HG23 ILE 7 HG23 ILE 7 2.672 28.631 25.891 64 HD11 ILE 7 HD11 ILE 7 -0.444 28.393 25.575 65 HD12 ILE 7 HD12 ILE 7 -0.604 28.372 27.332 66 HD13 ILE 7 HD13 ILE 7 0.952 28.006 26.581 67 H THR 8 H THR 8 4.117 32.345 25.834 68 HA THR 8 HA THR 8 4.813 33.294 23.169 69 HB THR 8 HB THR 8 6.992 33.809 24.214 70 HG1 THR 8 HG1 THR 8 7.386 33.279 26.267 71 HG21 THR 8 HG21 THR 8 6.191 35.564 25.729 72 HG22 THR 8 HG22 THR 8 4.626 34.760 25.846 73 HG23 THR 8 HG23 THR 8 5.146 35.456 24.311 74 H ASP 9 H ASP 9 6.879 32.485 22.210 75 HA ASP 9 HA ASP 9 6.734 29.718 21.727 76 HB2 ASP 9 HB3 ASP 9 8.910 31.742 21.183 77 HB3 ASP 9 HB2 ASP 9 9.009 30.069 20.651 78 H THR 10 H THR 10 8.823 31.620 23.868 79 HA THR 10 HA THR 10 10.565 29.533 24.641 80 HB THR 10 HB THR 10 9.728 31.984 26.225 81 HG1 THR 10 HG1 THR 10 10.654 32.292 24.085 82 HG21 THR 10 HG21 THR 10 12.331 30.454 26.409 83 HG22 THR 10 HG22 THR 10 10.956 30.059 27.441 84 HG23 THR 10 HG23 THR 10 11.695 31.659 27.529 85 H GLU 11 H GLU 11 7.511 30.721 26.036 86 HA GLU 11 HA GLU 11 7.444 29.058 28.307 87 HB2 GLU 11 HB3 GLU 11 5.230 30.270 26.652 88 HB3 GLU 11 HB2 GLU 11 4.938 29.400 28.151 89 HG2 GLU 11 HG3 GLU 11 6.822 31.758 27.944 90 HG3 GLU 11 HG2 GLU 11 5.125 31.923 28.381 91 H TRP 12 H TRP 12 6.332 28.524 24.979 92 HA TRP 12 HA TRP 12 5.073 26.029 25.427 93 HB2 TRP 12 HB3 TRP 12 6.169 27.442 23.024 94 HB3 TRP 12 HB2 TRP 12 5.704 25.750 22.886 95 HD1 TRP 12 HD1 TRP 12 4.298 29.128 22.640 96 HE1 TRP 12 HE1 TRP 12 1.720 29.034 22.632 97 HE3 TRP 12 HE3 TRP 12 3.590 24.335 24.243 98 HZ2 TRP 12 HZ2 TRP 12 -0.368 27.161 23.222 99 HZ3 TRP 12 HZ3 TRP 12 1.306 23.418 24.503 100 HH2 TRP 12 HH2 TRP 12 -0.671 24.819 23.997 101 H ARG 13 H ARG 13 8.415 26.892 24.593 102 HA ARG 13 HA ARG 13 9.362 24.264 24.127 103 HB2 ARG 13 HB3 ARG 13 10.774 26.789 24.997 104 HB3 ARG 13 HB2 ARG 13 11.618 25.290 24.608 105 HG2 ARG 13 HG3 ARG 13 10.708 25.307 22.350 106 HG3 ARG 13 HG2 ARG 13 9.725 26.723 22.724 107 HD2 ARG 13 HD3 ARG 13 11.725 27.426 21.517 108 HD3 ARG 13 HD2 ARG 13 11.804 28.013 23.176 109 HE ARG 13 HE ARG 13 13.088 25.476 22.949 110 HH11 ARG 13 HH11 ARG 13 13.550 28.868 22.196 111 HH12 ARG 13 HH12 ARG 13 15.277 28.763 22.251 112 HH21 ARG 13 HH21 ARG 13 15.338 25.386 23.006 113 HH22 ARG 13 HH22 ARG 13 16.279 26.808 22.706 114 H GLN 14 H GLN 14 9.188 26.256 27.028 115 HA GLN 14 HA GLN 14 10.366 24.153 28.680 116 HB2 GLN 14 HB3 GLN 14 9.958 25.855 30.554 117 HB3 GLN 14 HB2 GLN 14 11.141 26.281 29.326 118 HG2 GLN 14 HG3 GLN 14 9.979 28.096 28.694 119 HG3 GLN 14 HG2 GLN 14 8.478 27.201 28.563 120 HE21 GLN 14 HE21 GLN 14 8.827 29.898 29.667 121 HE22 GLN 14 HE22 GLN 14 8.284 29.826 31.270 122 H ARG 15 H ARG 15 7.367 24.563 27.442 123 HA ARG 15 HA ARG 15 5.853 23.834 29.850 124 HB2 ARG 15 HB3 ARG 15 5.221 24.880 27.138 125 HB3 ARG 15 HB2 ARG 15 4.010 23.832 27.866 126 HG2 ARG 15 HG3 ARG 15 3.715 25.282 29.716 127 HG3 ARG 15 HG2 ARG 15 5.178 26.194 29.351 128 HD2 ARG 15 HD3 ARG 15 4.174 27.057 27.316 129 HD3 ARG 15 HD2 ARG 15 2.748 26.054 27.547 130 HE ARG 15 HE ARG 15 3.402 28.522 28.965 131 HH11 ARG 15 HH11 ARG 15 1.391 25.651 28.869 132 HH12 ARG 15 HH12 ARG 15 0.157 26.344 29.867 133 HH21 ARG 15 HH21 ARG 15 1.771 29.381 30.257 134 HH22 ARG 15 HH22 ARG 15 0.373 28.437 30.645 135 H LEU 16 H LEU 16 6.735 22.585 26.670 136 HA LEU 16 HA LEU 16 6.004 19.879 27.554 137 HB2 LEU 16 HB3 LEU 16 5.142 19.580 25.091 138 HB3 LEU 16 HB2 LEU 16 4.086 20.239 26.329 139 HG LEU 16 HG LEU 16 4.811 22.562 25.526 140 HD11 LEU 16 HD11 LEU 16 5.871 20.926 23.206 141 HD12 LEU 16 HD12 LEU 16 6.848 21.850 24.348 142 HD13 LEU 16 HD13 LEU 16 5.746 22.685 23.256 143 HD21 LEU 16 HD21 LEU 16 3.428 22.201 23.279 144 HD22 LEU 16 HD22 LEU 16 2.659 22.044 24.856 145 HD23 LEU 16 HD23 LEU 16 3.154 20.601 23.975 146 H SER 17 H SER 17 6.625 18.268 25.676 147 HA SER 17 HA SER 17 9.425 18.181 25.577 148 HB2 SER 17 HB3 SER 17 7.336 16.751 23.925 149 HB3 SER 17 HB2 SER 17 9.053 16.362 23.869 150 HG SER 17 HG SER 17 7.472 16.414 26.234 151 H SER 18 H SER 18 10.882 18.383 23.845 152 HA SER 18 HA SER 18 10.562 20.666 22.237 153 HB2 SER 18 HB3 SER 18 12.481 18.346 21.978 154 HB3 SER 18 HB2 SER 18 12.596 19.829 21.037 155 HG SER 18 HG SER 18 13.818 19.637 23.123 156 H GLU 19 H GLU 19 10.103 17.236 21.596 157 HA GLU 19 HA GLU 19 9.560 17.485 18.823 158 HB2 GLU 19 HB3 GLU 19 8.433 15.224 19.141 159 HB3 GLU 19 HB2 GLU 19 10.131 15.306 19.579 160 HG2 GLU 19 HG3 GLU 19 8.215 15.876 21.784 161 HG3 GLU 19 HG2 GLU 19 8.200 14.230 21.176 162 H GLU 20 H GLU 20 7.471 17.492 21.703 163 HA GLU 20 HA GLU 20 5.000 17.618 20.388 164 HB2 GLU 20 HB3 GLU 20 5.892 18.543 23.114 165 HB3 GLU 20 HB2 GLU 20 4.214 18.623 22.571 166 HG2 GLU 20 HG3 GLU 20 4.141 16.229 22.227 167 HG3 GLU 20 HG2 GLU 20 5.868 16.084 22.532 168 H TYR 21 H TYR 21 7.346 20.102 21.241 169 HA TYR 21 HA TYR 21 5.763 22.394 20.920 170 HB2 TYR 21 HB3 TYR 21 8.028 22.410 21.892 171 HB3 TYR 21 HB2 TYR 21 8.717 21.971 20.335 172 HD1 TYR 21 HD1 TYR 21 7.401 24.690 22.392 173 HD2 TYR 21 HD2 TYR 21 8.612 23.573 18.423 174 HE1 TYR 21 HE1 TYR 21 7.533 27.082 21.749 175 HE2 TYR 21 HE2 TYR 21 8.744 25.965 17.788 176 HH TYR 21 HH TYR 21 9.141 28.232 19.240 177 H ARG 22 H ARG 22 7.869 20.766 18.479 178 HA ARG 22 HA ARG 22 6.985 22.485 16.351 179 HB2 ARG 22 HB3 ARG 22 8.381 21.170 14.904 180 HB3 ARG 22 HB2 ARG 22 9.240 21.372 16.426 181 HG2 ARG 22 HG3 ARG 22 8.488 19.103 17.133 182 HG3 ARG 22 HG2 ARG 22 7.674 18.903 15.573 183 HD2 ARG 22 HD3 ARG 22 10.637 19.466 15.884 184 HD3 ARG 22 HD2 ARG 22 9.955 17.859 15.656 185 HE ARG 22 HE ARG 22 8.954 19.450 13.596 186 HH11 ARG 22 HH11 ARG 22 12.090 18.320 14.679 187 HH12 ARG 22 HH12 ARG 22 12.774 18.342 13.089 188 HH21 ARG 22 HH21 ARG 22 9.883 19.461 11.548 189 HH22 ARG 22 HH22 ARG 22 11.533 18.983 11.331 190 H VAL 23 H VAL 23 6.220 19.245 17.412 191 HA VAL 23 HA VAL 23 4.614 18.418 15.269 192 HB VAL 23 HB VAL 23 4.789 17.627 18.181 193 HG11 VAL 23 HG11 VAL 23 2.580 16.949 17.544 194 HG12 VAL 23 HG12 VAL 23 3.602 15.516 17.435 195 HG13 VAL 23 HG13 VAL 23 3.141 16.386 15.970 196 HG21 VAL 23 HG21 VAL 23 6.091 15.794 17.340 197 HG22 VAL 23 HG22 VAL 23 6.704 17.245 16.549 198 HG23 VAL 23 HG23 VAL 23 5.634 16.156 15.675 199 H LEU 24 H LEU 24 3.723 20.005 18.320 200 HA LEU 24 HA LEU 24 0.928 20.116 17.741 201 HB2 LEU 24 HB3 LEU 24 2.664 21.619 19.713 202 HB3 LEU 24 HB2 LEU 24 0.911 21.787 19.639 203 HG LEU 24 HG LEU 24 2.305 19.116 20.001 204 HD11 LEU 24 HD11 LEU 24 1.547 19.391 22.407 205 HD12 LEU 24 HD12 LEU 24 1.244 21.089 22.037 206 HD13 LEU 24 HD13 LEU 24 2.878 20.439 21.918 207 HD21 LEU 24 HD21 LEU 24 -0.028 18.591 20.977 208 HD22 LEU 24 HD22 LEU 24 0.079 18.787 19.230 209 HD23 LEU 24 HD23 LEU 24 -0.552 20.098 20.222 210 H ARG 25 H ARG 25 3.653 22.303 17.288 211 HA ARG 25 HA ARG 25 2.220 24.627 16.641 212 HB2 ARG 25 HB3 ARG 25 4.593 24.591 17.300 213 HB3 ARG 25 HB2 ARG 25 5.000 23.817 15.771 214 HG2 ARG 25 HG3 ARG 25 4.163 25.774 14.535 215 HG3 ARG 25 HG2 ARG 25 3.694 26.544 16.051 216 HD2 ARG 25 HD3 ARG 25 6.038 26.559 16.787 217 HD3 ARG 25 HD2 ARG 25 6.521 25.744 15.303 218 HE ARG 25 HE ARG 25 6.312 27.765 14.165 219 HH11 ARG 25 HH11 ARG 25 4.866 28.066 17.344 220 HH12 ARG 25 HH12 ARG 25 4.675 29.783 17.219 221 HH21 ARG 25 HH21 ARG 25 6.047 29.995 14.047 222 HH22 ARG 25 HH22 ARG 25 5.339 30.865 15.368 223 H GLU 26 H GLU 26 3.719 22.224 14.419 224 HA GLU 26 HA GLU 26 1.901 23.224 12.309 225 HB2 GLU 26 HB3 GLU 26 3.765 23.050 10.680 226 HB3 GLU 26 HB2 GLU 26 4.051 24.264 11.925 227 HG2 GLU 26 HG3 GLU 26 5.426 22.615 13.187 228 HG3 GLU 26 HG2 GLU 26 5.183 21.447 11.888 229 H ALA 27 H ALA 27 2.085 20.621 14.017 230 HA ALA 27 HA ALA 27 1.679 18.365 13.661 231 HB1 ALA 27 HB1 ALA 27 0.059 19.627 11.923 232 HB2 ALA 27 HB2 ALA 27 0.192 17.870 11.977 233 HB3 ALA 27 HB3 ALA 27 1.089 18.784 10.769 234 H GLY 28 H GLY 28 4.281 19.100 13.581 235 HA2 GLY 28 HA3 GLY 28 5.800 18.556 11.318 236 HA3 GLY 28 HA2 GLY 28 6.373 18.407 12.969 237 H THR 29 H THR 29 4.812 16.269 13.911 238 HA THR 29 HA THR 29 4.594 14.021 12.247 239 HB THR 29 HB THR 29 6.881 12.985 13.453 240 HG1 THR 29 HG1 THR 29 7.726 15.430 12.370 241 HG21 THR 29 HG21 THR 29 7.392 14.179 10.800 242 HG22 THR 29 HG22 THR 29 5.940 13.181 10.882 243 HG23 THR 29 HG23 THR 29 7.503 12.501 11.324 244 H GLU 30 H GLU 30 5.200 11.892 13.777 245 HA GLU 30 HA GLU 30 4.432 12.376 16.545 246 HB2 GLU 30 HB3 GLU 30 2.543 10.725 16.404 247 HB3 GLU 30 HB2 GLU 30 2.238 12.226 15.536 248 HG2 GLU 30 HG3 GLU 30 2.955 11.103 13.420 249 HG3 GLU 30 HG2 GLU 30 3.129 9.593 14.308 250 H ALA 31 H ALA 31 6.804 11.637 16.236 251 HA ALA 31 HA ALA 31 7.069 8.728 15.975 252 HB1 ALA 31 HB1 ALA 31 8.676 10.117 14.769 253 HB2 ALA 31 HB2 ALA 31 9.489 9.177 16.022 254 HB3 ALA 31 HB3 ALA 31 9.161 10.891 16.278 255 HA PRO 32 HA PRO 32 7.005 8.581 20.520 256 HB2 PRO 32 HB3 PRO 32 6.948 5.885 20.766 257 HB3 PRO 32 HB2 PRO 32 5.526 6.822 20.258 258 HG2 PRO 32 HG3 PRO 32 7.494 5.344 18.558 259 HG3 PRO 32 HG2 PRO 32 5.726 5.317 18.496 260 HD2 PRO 32 HD3 PRO 32 7.186 6.816 16.814 261 HD3 PRO 32 HD2 PRO 32 5.597 7.343 17.415 262 H HIS 33 H HIS 33 8.282 6.811 22.050 263 HA HIS 33 HA HIS 33 10.291 6.236 22.970 264 HB2 HIS 33 HB3 HIS 33 11.060 5.934 20.062 265 HB3 HIS 33 HB2 HIS 33 12.070 5.422 21.413 266 HD1 HIS 33 HD1 HIS 33 11.241 3.395 22.833 267 HD2 HIS 33 HD2 HIS 33 8.769 4.326 19.616 268 HE1 HIS 33 HE1 HIS 33 9.648 1.445 22.569 269 HE2 HIS 33 HE2 HIS 33 8.136 1.993 20.603 270 H THR 34 H THR 34 9.694 8.998 22.609 271 HA THR 34 HA THR 34 12.409 10.146 22.303 272 HB THR 34 HB THR 34 11.288 12.291 21.783 273 HG1 THR 34 HG1 THR 34 9.021 12.121 21.292 274 HG21 THR 34 HG21 THR 34 11.948 10.573 20.019 275 HG22 THR 34 HG22 THR 34 10.724 11.744 19.528 276 HG23 THR 34 HG23 THR 34 10.247 10.106 19.972 277 H GLY 35 H GLY 35 10.639 9.034 24.687 278 HA2 GLY 35 HA3 GLY 35 11.649 10.890 26.645 279 HA3 GLY 35 HA2 GLY 35 9.888 10.862 26.535 280 H GLU 36 H GLU 36 11.917 9.874 28.585 281 HA GLU 36 HA GLU 36 11.538 7.008 28.622 282 HB2 GLU 36 HB3 GLU 36 12.952 7.067 30.577 283 HB3 GLU 36 HB2 GLU 36 13.604 8.124 29.328 284 HG2 GLU 36 HG3 GLU 36 12.635 10.088 30.445 285 HG3 GLU 36 HG2 GLU 36 11.956 9.048 31.695 286 H TYR 37 H TYR 37 9.999 9.762 30.048 287 HA TYR 37 HA TYR 37 8.674 8.288 32.154 288 HB2 TYR 37 HB3 TYR 37 8.359 11.113 31.125 289 HB3 TYR 37 HB2 TYR 37 7.450 10.464 32.489 290 HD1 TYR 37 HD1 TYR 37 10.757 11.528 31.286 291 HD2 TYR 37 HD2 TYR 37 8.569 9.871 34.591 292 HE1 TYR 37 HE1 TYR 37 12.677 11.985 32.788 293 HE2 TYR 37 HE2 TYR 37 10.489 10.328 36.092 294 HH TYR 37 HH TYR 37 13.082 10.601 35.725 295 H THR 38 H THR 38 8.102 6.992 29.784 296 HA THR 38 HA THR 38 5.610 7.794 28.631 297 HB THR 38 HB THR 38 5.638 5.536 27.616 298 HG1 THR 38 HG1 THR 38 7.618 4.329 28.084 299 HG21 THR 38 HG21 THR 38 7.948 5.807 26.515 300 HG22 THR 38 HG22 THR 38 8.146 7.209 27.564 301 HG23 THR 38 HG23 THR 38 6.836 7.170 26.385 302 H ASN 39 H ASN 39 6.529 5.825 31.376 303 HA ASN 39 HA ASN 39 5.340 4.788 33.022 304 HB2 ASN 39 HB3 ASN 39 3.134 6.640 32.078 305 HB3 ASN 39 HB2 ASN 39 3.121 5.729 33.587 306 HD21 ASN 39 HD21 ASN 39 3.368 8.773 32.867 307 HD22 ASN 39 HD22 ASN 39 4.671 9.281 33.830 308 H THR 40 H THR 40 2.447 5.186 31.000 309 HA THR 40 HA THR 40 0.969 3.668 30.146 310 HB THR 40 HB THR 40 1.895 1.906 28.725 311 HG1 THR 40 HG1 THR 40 3.814 1.156 29.050 312 HG21 THR 40 HG21 THR 40 1.875 4.248 27.917 313 HG22 THR 40 HG22 THR 40 3.222 3.331 27.242 314 HG23 THR 40 HG23 THR 40 3.503 4.468 28.559 315 H THR 41 H THR 41 2.247 3.119 32.988 316 HA THR 41 HA THR 41 2.035 0.306 33.389 317 HB THR 41 HB THR 41 1.798 2.582 35.385 318 HG1 THR 41 HG1 THR 41 3.782 2.644 34.453 319 HG21 THR 41 HG21 THR 41 2.192 -0.404 35.709 320 HG22 THR 41 HG22 THR 41 0.936 0.604 36.428 321 HG23 THR 41 HG23 THR 41 2.606 0.751 36.977 322 H THR 42 H THR 42 -0.198 3.020 33.758 323 HA THR 42 HA THR 42 -2.423 1.115 34.198 324 HB THR 42 HB THR 42 -2.291 4.024 35.007 325 HG1 THR 42 HG1 THR 42 -0.928 3.089 36.376 326 HG21 THR 42 HG21 THR 42 -4.552 2.853 34.616 327 HG22 THR 42 HG22 THR 42 -4.311 3.625 36.182 328 HG23 THR 42 HG23 THR 42 -4.146 1.877 36.028 329 H GLU 43 H GLU 43 -4.250 1.326 32.961 330 HA GLU 43 HA GLU 43 -4.069 3.149 30.645 331 HB2 GLU 43 HB3 GLU 43 -5.574 0.532 30.938 332 HB3 GLU 43 HB2 GLU 43 -5.586 1.558 29.503 333 HG2 GLU 43 HG3 GLU 43 -3.129 1.295 29.309 334 HG3 GLU 43 HG2 GLU 43 -3.141 0.234 30.717 335 H GLY 44 H GLY 44 -5.032 4.935 31.541 336 HA2 GLY 44 HA3 GLY 44 -7.877 4.640 32.315 337 HA3 GLY 44 HA2 GLY 44 -6.791 5.795 33.079 338 H ILE 45 H ILE 45 -6.448 7.739 32.160 339 HA ILE 45 HA ILE 45 -7.822 8.280 29.598 340 HB ILE 45 HB ILE 45 -7.478 10.053 32.026 341 HG12 ILE 45 HG13 ILE 45 -10.160 9.459 30.828 342 HG13 ILE 45 HG12 ILE 45 -9.386 8.104 31.628 343 HG21 ILE 45 HG21 ILE 45 -8.856 10.696 29.394 344 HG22 ILE 45 HG22 ILE 45 -7.280 11.328 29.872 345 HG23 ILE 45 HG23 ILE 45 -8.723 11.762 30.792 346 HD11 ILE 45 HD11 ILE 45 -9.754 10.836 32.882 347 HD12 ILE 45 HD12 ILE 45 -9.155 9.380 33.680 348 HD13 ILE 45 HD13 ILE 45 -10.837 9.468 33.146 349 H TYR 46 H TYR 46 -6.725 9.106 28.034 350 HA TYR 46 HA TYR 46 -3.891 9.557 28.202 351 HB2 TYR 46 HB3 TYR 46 -5.943 9.917 26.029 352 HB3 TYR 46 HB2 TYR 46 -4.241 10.214 25.772 353 HD1 TYR 46 HD1 TYR 46 -6.803 7.742 25.725 354 HD2 TYR 46 HD2 TYR 46 -2.610 8.281 26.417 355 HE1 TYR 46 HE1 TYR 46 -6.423 5.324 25.307 356 HE2 TYR 46 HE2 TYR 46 -2.221 5.873 25.999 357 HH TYR 46 HH TYR 46 -3.214 4.005 24.986 358 H SER 47 H SER 47 -2.852 11.585 28.129 359 HA SER 47 HA SER 47 -4.581 13.947 28.051 360 HB2 SER 47 HB3 SER 47 -3.369 14.900 30.017 361 HB3 SER 47 HB2 SER 47 -4.382 13.515 30.404 362 HG SER 47 HG SER 47 -2.119 13.563 31.223 363 H CYS 48 H CYS 48 -3.838 15.556 26.975 364 HA CYS 48 HA CYS 48 -1.543 15.530 25.366 365 HB2 CYS 48 HB3 CYS 48 -3.746 16.965 25.315 366 HB3 CYS 48 HB2 CYS 48 -2.854 18.063 26.345 367 H ARG 49 H ARG 49 0.544 15.840 25.964 368 HA ARG 49 HA ARG 49 1.302 16.450 28.623 369 HB2 ARG 49 HB3 ARG 49 2.712 15.204 26.946 370 HB3 ARG 49 HB2 ARG 49 3.042 16.754 26.170 371 HG2 ARG 49 HG3 ARG 49 4.174 17.598 28.085 372 HG3 ARG 49 HG2 ARG 49 3.544 16.318 29.121 373 HD2 ARG 49 HD3 ARG 49 4.870 14.652 27.912 374 HD3 ARG 49 HD2 ARG 49 5.456 15.888 26.807 375 HE ARG 49 HE ARG 49 6.942 16.599 28.449 376 HH11 ARG 49 HH11 ARG 49 4.566 14.466 29.896 377 HH12 ARG 49 HH12 ARG 49 5.414 14.356 31.401 378 HH21 ARG 49 HH21 ARG 49 8.019 16.412 30.415 379 HH22 ARG 49 HH22 ARG 49 7.353 15.449 31.691 380 H ALA 50 H ALA 50 0.696 18.409 25.816 381 HA ALA 50 HA ALA 50 1.984 20.804 26.484 382 HB1 ALA 50 HB1 ALA 50 1.058 20.381 24.282 383 HB2 ALA 50 HB2 ALA 50 0.297 21.820 24.963 384 HB3 ALA 50 HB3 ALA 50 -0.574 20.281 24.963 385 H CYS 51 H CYS 51 -1.399 19.815 27.123 386 HA CYS 51 HA CYS 51 -1.589 22.023 29.092 387 HB2 CYS 51 HB3 CYS 51 -4.141 21.752 28.570 388 HB3 CYS 51 HB2 CYS 51 -3.114 22.669 27.473 389 H GLY 52 H GLY 52 -2.540 18.697 28.382 390 HA2 GLY 52 HA3 GLY 52 -2.512 16.981 30.044 391 HA3 GLY 52 HA2 GLY 52 -2.815 18.199 31.274 392 H THR 53 H THR 53 -4.650 18.360 28.339 393 HA THR 53 HA THR 53 -7.145 18.157 29.703 394 HB THR 53 HB THR 53 -7.616 17.594 26.964 395 HG1 THR 53 HG1 THR 53 -6.195 18.681 25.862 396 HG21 THR 53 HG21 THR 53 -8.717 19.256 28.595 397 HG22 THR 53 HG22 THR 53 -8.583 19.736 26.904 398 HG23 THR 53 HG23 THR 53 -7.449 20.376 28.094 399 H GLU 54 H GLU 54 -8.888 16.588 28.736 400 HA GLU 54 HA GLU 54 -7.838 13.850 29.051 401 HB2 GLU 54 HB3 GLU 54 -10.707 14.814 29.305 402 HB3 GLU 54 HB2 GLU 54 -10.108 13.200 29.671 403 HG2 GLU 54 HG3 GLU 54 -8.572 14.265 31.378 404 HG3 GLU 54 HG2 GLU 54 -9.435 15.774 31.110 405 H LEU 55 H LEU 55 -7.072 14.190 26.836 406 HA LEU 55 HA LEU 55 -8.678 14.544 24.589 407 HB2 LEU 55 HB3 LEU 55 -6.011 13.299 25.128 408 HB3 LEU 55 HB2 LEU 55 -6.716 13.136 23.529 409 HG LEU 55 HG LEU 55 -6.694 15.506 23.168 410 HD11 LEU 55 HD11 LEU 55 -5.797 17.054 25.014 411 HD12 LEU 55 HD12 LEU 55 -6.141 15.737 26.130 412 HD13 LEU 55 HD13 LEU 55 -7.448 16.476 25.204 413 HD21 LEU 55 HD21 LEU 55 -4.504 14.391 22.974 414 HD22 LEU 55 HD22 LEU 55 -4.177 14.775 24.665 415 HD23 LEU 55 HD23 LEU 55 -4.338 16.073 23.483 416 H PHE 56 H PHE 56 -7.604 11.450 26.039 417 HA PHE 56 HA PHE 56 -9.880 10.139 24.706 418 HB2 PHE 56 HB3 PHE 56 -6.994 9.296 24.548 419 HB3 PHE 56 HB2 PHE 56 -8.307 8.199 24.197 420 HD1 PHE 56 HD1 PHE 56 -6.454 11.170 23.106 421 HD2 PHE 56 HD2 PHE 56 -9.772 8.579 22.247 422 HE1 PHE 56 HE1 PHE 56 -6.606 12.120 20.821 423 HE2 PHE 56 HE2 PHE 56 -9.923 9.530 19.961 424 HZ PHE 56 HZ PHE 56 -8.339 11.301 19.248 425 H ARG 57 H ARG 57 -10.584 8.169 25.642 426 HA ARG 57 HA ARG 57 -9.762 7.754 28.434 427 HB2 ARG 57 HB3 ARG 57 -11.906 8.843 28.302 428 HB3 ARG 57 HB2 ARG 57 -12.478 7.724 27.087 429 HG2 ARG 57 HG3 ARG 57 -13.472 7.178 29.153 430 HG3 ARG 57 HG2 ARG 57 -12.270 5.956 28.816 431 HD2 ARG 57 HD3 ARG 57 -10.686 7.066 30.334 432 HD3 ARG 57 HD2 ARG 57 -11.880 8.323 30.650 433 HE ARG 57 HE ARG 57 -13.015 6.852 32.051 434 HH11 ARG 57 HH11 ARG 57 -10.598 5.087 30.237 435 HH12 ARG 57 HH12 ARG 57 -10.803 3.636 31.159 436 HH21 ARG 57 HH21 ARG 57 -13.264 4.941 33.208 437 HH22 ARG 57 HH22 ARG 57 -12.299 3.555 32.825 438 H SER 58 H SER 58 -9.348 5.653 28.982 439 HA SER 58 HA SER 58 -8.614 3.799 27.042 440 HB2 SER 58 HB3 SER 58 -9.194 3.415 29.970 441 HB3 SER 58 HB2 SER 58 -8.543 2.144 28.943 442 HG SER 58 HG SER 58 -6.851 3.666 28.406 443 H THR 59 H THR 59 -11.764 4.423 28.204 444 HA THR 59 HA THR 59 -12.931 1.858 27.941 445 HB THR 59 HB THR 59 -14.048 3.687 29.138 446 HG1 THR 59 HG1 THR 59 -15.578 2.990 26.869 447 HG21 THR 59 HG21 THR 59 -14.999 4.991 26.656 448 HG22 THR 59 HG22 THR 59 -13.325 5.335 27.085 449 HG23 THR 59 HG23 THR 59 -14.624 5.699 28.221 450 H GLU 60 H GLU 60 -12.349 4.467 25.641 451 HA GLU 60 HA GLU 60 -13.584 2.921 23.470 452 HB2 GLU 60 HB3 GLU 60 -12.931 5.774 23.949 453 HB3 GLU 60 HB2 GLU 60 -12.711 5.228 22.294 454 HG2 GLU 60 HG3 GLU 60 -14.945 5.852 22.222 455 HG3 GLU 60 HG2 GLU 60 -15.123 4.162 22.678 456 H LYS 61 H LYS 61 -10.668 2.825 24.888 457 HA LYS 61 HA LYS 61 -8.814 3.115 22.751 458 HB2 LYS 61 HB3 LYS 61 -8.169 3.226 25.109 459 HB3 LYS 61 HB2 LYS 61 -8.616 1.538 25.328 460 HG2 LYS 61 HG3 LYS 61 -6.882 0.868 23.701 461 HG3 LYS 61 HG2 LYS 61 -6.442 2.559 23.472 462 HD2 LYS 61 HD3 LYS 61 -5.858 2.735 25.863 463 HD3 LYS 61 HD2 LYS 61 -6.293 1.043 26.091 464 HE2 LYS 61 HE3 LYS 61 -4.551 0.364 24.489 465 HE3 LYS 61 HE2 LYS 61 -4.118 2.056 24.236 466 HZ1 LYS 61 HZ1 LYS 61 -4.157 1.035 26.979 467 HZ2 LYS 61 HZ2 LYS 61 -3.163 2.220 26.277 468 HZ3 LYS 61 HZ3 LYS 61 -2.866 0.574 25.980 469 H PHE 62 H PHE 62 -8.018 1.712 21.304 470 HA PHE 62 HA PHE 62 -8.964 -1.090 21.339 471 HB2 PHE 62 HB3 PHE 62 -10.194 0.292 19.630 472 HB3 PHE 62 HB2 PHE 62 -8.648 0.612 18.850 473 HD1 PHE 62 HD1 PHE 62 -11.059 -2.056 19.775 474 HD2 PHE 62 HD2 PHE 62 -7.549 -1.054 17.509 475 HE1 PHE 62 HE1 PHE 62 -11.207 -4.228 18.586 476 HE2 PHE 62 HE2 PHE 62 -7.699 -3.224 16.319 477 HZ PHE 62 HZ PHE 62 -9.527 -4.811 16.857 478 H ASN 63 H ASN 63 -7.281 -2.456 21.390 479 HA ASN 63 HA ASN 63 -4.591 -1.459 20.860 480 HB2 ASN 63 HB3 ASN 63 -5.144 -2.849 22.876 481 HB3 ASN 63 HB2 ASN 63 -5.440 -4.207 21.792 482 HD21 ASN 63 HD21 ASN 63 -3.625 -5.505 22.397 483 HD22 ASN 63 HD22 ASN 63 -2.019 -5.009 22.161 484 H SER 64 H SER 64 -4.174 -1.344 18.713 485 HA SER 64 HA SER 64 -4.565 -3.806 17.108 486 HB2 SER 64 HB3 SER 64 -4.717 -2.360 15.135 487 HB3 SER 64 HB2 SER 64 -5.952 -1.931 16.315 488 HG SER 64 HG SER 64 -3.437 -0.660 15.922 489 H HIS 65 H HIS 65 -2.448 -1.052 17.793 490 HA HIS 65 HA HIS 65 -0.094 -2.650 17.278 491 HB2 HIS 65 HB3 HIS 65 -0.790 -1.816 14.994 492 HB3 HIS 65 HB2 HIS 65 -0.509 -0.178 15.582 493 HD1 HIS 65 HD1 HIS 65 1.447 -3.467 15.595 494 HD2 HIS 65 HD2 HIS 65 2.073 0.615 15.032 495 HE1 HIS 65 HE1 HIS 65 3.909 -3.185 15.072 496 HE2 HIS 65 HE2 HIS 65 4.306 -0.700 14.729 497 H CYS 66 H CYS 66 1.572 -1.958 18.510 498 HA CYS 66 HA CYS 66 1.148 -0.024 20.519 499 HB2 CYS 66 HB3 CYS 66 3.647 -1.406 19.540 500 HB3 CYS 66 HB2 CYS 66 3.627 -0.323 20.933 501 HG CYS 66 HG CYS 66 1.691 -2.015 21.894 502 H GLY 67 H GLY 67 3.022 0.123 17.492 503 HA2 GLY 67 HA3 GLY 67 4.195 2.652 17.903 504 HA3 GLY 67 HA2 GLY 67 3.928 1.897 16.337 505 H TRP 68 H TRP 68 1.249 1.779 16.092 506 HA TRP 68 HA TRP 68 0.221 4.493 16.555 507 HB2 TRP 68 HB3 TRP 68 0.204 3.044 13.893 508 HB3 TRP 68 HB2 TRP 68 -0.663 4.541 14.230 509 HD1 TRP 68 HD1 TRP 68 0.846 6.694 14.869 510 HE1 TRP 68 HE1 TRP 68 3.224 7.352 14.107 511 HE3 TRP 68 HE3 TRP 68 2.502 2.169 13.203 512 HZ2 TRP 68 HZ2 TRP 68 5.522 6.108 12.941 513 HZ3 TRP 68 HZ3 TRP 68 4.785 1.930 12.270 514 HH2 TRP 68 HH2 TRP 68 6.296 3.892 12.137 515 HA PRO 69 HA PRO 69 -2.899 1.127 17.570 516 HB2 PRO 69 HB3 PRO 69 -3.662 2.095 20.005 517 HB3 PRO 69 HB2 PRO 69 -2.276 1.005 19.793 518 HG2 PRO 69 HG3 PRO 69 -2.316 3.972 20.106 519 HG3 PRO 69 HG2 PRO 69 -1.237 2.774 20.845 520 HD2 PRO 69 HD3 PRO 69 -0.487 4.257 18.693 521 HD3 PRO 69 HD2 PRO 69 0.091 2.595 18.947 522 H SER 70 H SER 70 -5.157 1.311 17.401 523 HA SER 70 HA SER 70 -6.115 3.963 16.585 524 HB2 SER 70 HB3 SER 70 -7.421 1.255 16.292 525 HB3 SER 70 HB2 SER 70 -8.019 2.767 15.628 526 HG SER 70 HG SER 70 -5.472 1.641 15.069 527 H PHE 71 H PHE 71 -8.083 4.814 17.356 528 HA PHE 71 HA PHE 71 -9.055 3.705 19.922 529 HB2 PHE 71 HB3 PHE 71 -8.460 6.620 19.323 530 HB3 PHE 71 HB2 PHE 71 -9.195 6.007 20.801 531 HD1 PHE 71 HD1 PHE 71 -6.099 6.146 18.793 532 HD2 PHE 71 HD2 PHE 71 -7.874 4.855 22.485 533 HE1 PHE 71 HE1 PHE 71 -3.842 5.747 19.736 534 HE2 PHE 71 HE2 PHE 71 -5.615 4.456 23.428 535 HZ PHE 71 HZ PHE 71 -3.600 4.901 22.054 536 H PHE 72 H PHE 72 -11.209 4.514 20.488 537 HA PHE 72 HA PHE 72 -12.844 5.003 18.089 538 HB2 PHE 72 HB3 PHE 72 -13.699 4.085 20.850 539 HB3 PHE 72 HB2 PHE 72 -14.758 4.277 19.463 540 HD1 PHE 72 HD1 PHE 72 -13.074 1.888 21.319 541 HD2 PHE 72 HD2 PHE 72 -13.684 3.039 17.221 542 HE1 PHE 72 HE1 PHE 72 -12.535 -0.418 20.587 543 HE2 PHE 72 HE2 PHE 72 -13.144 0.730 16.496 544 HZ PHE 72 HZ PHE 72 -12.571 -0.997 18.178 545 H SER 73 H SER 73 -15.063 6.204 19.446 546 HA SER 73 HA SER 73 -14.505 8.882 19.244 547 HB2 SER 73 HB3 SER 73 -16.770 7.866 19.408 548 HB3 SER 73 HB2 SER 73 -16.520 7.679 21.136 549 HG SER 73 HG SER 73 -16.579 9.825 21.393 550 HA PRO 74 HA PRO 74 -12.061 9.814 22.929 551 HB2 PRO 74 HB3 PRO 74 -12.262 12.519 22.971 552 HB3 PRO 74 HB2 PRO 74 -11.290 11.659 21.759 553 HG2 PRO 74 HG3 PRO 74 -14.056 12.759 21.519 554 HG3 PRO 74 HG2 PRO 74 -12.693 12.899 20.394 555 HD2 PRO 74 HD3 PRO 74 -14.670 11.094 20.014 556 HD3 PRO 74 HD2 PRO 74 -12.985 10.754 19.557 557 H LEU 75 H LEU 75 -12.309 11.169 25.033 558 HA LEU 75 HA LEU 75 -14.221 10.350 26.702 559 HB2 LEU 75 HB3 LEU 75 -12.625 12.863 26.566 560 HB3 LEU 75 HB2 LEU 75 -14.056 12.948 27.592 561 HG LEU 75 HG LEU 75 -13.096 10.563 28.458 562 HD11 LEU 75 HD11 LEU 75 -11.126 10.861 26.826 563 HD12 LEU 75 HD12 LEU 75 -10.733 10.435 28.492 564 HD13 LEU 75 HD13 LEU 75 -10.547 12.091 27.944 565 HD21 LEU 75 HD21 LEU 75 -13.566 12.316 30.003 566 HD22 LEU 75 HD22 LEU 75 -12.298 13.345 29.340 567 HD23 LEU 75 HD23 LEU 75 -11.872 11.902 30.262 568 H ALA 76 H ALA 76 -14.646 13.544 25.097 569 HA ALA 76 HA ALA 76 -17.478 12.947 24.673 570 HB1 ALA 76 HB1 ALA 76 -16.482 14.907 26.697 571 HB2 ALA 76 HB2 ALA 76 -17.857 13.806 26.782 572 HB3 ALA 76 HB3 ALA 76 -17.962 15.274 25.809 573 H GLY 77 H GLY 77 -14.750 14.067 23.381 574 HA2 GLY 77 HA3 GLY 77 -14.322 15.256 21.444 575 HA3 GLY 77 HA2 GLY 77 -16.054 15.507 21.268 576 H ASP 78 H ASP 78 -15.025 16.444 24.344 577 HA ASP 78 HA ASP 78 -15.281 19.269 23.671 578 HB2 ASP 78 HB3 ASP 78 -15.174 17.758 26.286 579 HB3 ASP 78 HB2 ASP 78 -15.254 19.512 26.173 580 H LYS 79 H LYS 79 -12.893 16.920 24.644 581 HA LYS 79 HA LYS 79 -10.936 19.005 25.275 582 HB2 LYS 79 HB3 LYS 79 -10.281 16.068 25.283 583 HB3 LYS 79 HB2 LYS 79 -9.604 17.364 26.264 584 HG2 LYS 79 HG3 LYS 79 -12.439 16.287 26.537 585 HG3 LYS 79 HG2 LYS 79 -11.100 15.867 27.587 586 HD2 LYS 79 HD3 LYS 79 -10.928 18.106 28.430 587 HD3 LYS 79 HD2 LYS 79 -12.066 18.704 27.219 588 HE2 LYS 79 HE3 LYS 79 -13.864 17.381 28.179 589 HE3 LYS 79 HE2 LYS 79 -12.755 16.634 29.325 590 HZ1 LYS 79 HZ1 LYS 79 -12.291 19.094 29.972 591 HZ2 LYS 79 HZ2 LYS 79 -13.676 18.316 30.571 592 HZ3 LYS 79 HZ3 LYS 79 -13.801 19.385 29.256 593 H VAL 80 H VAL 80 -11.961 17.227 22.584 594 HA VAL 80 HA VAL 80 -9.552 18.002 21.091 595 HB VAL 80 HB VAL 80 -9.556 15.855 19.867 596 HG11 VAL 80 HG11 VAL 80 -8.461 14.574 21.538 597 HG12 VAL 80 HG12 VAL 80 -9.425 15.297 22.829 598 HG13 VAL 80 HG13 VAL 80 -8.205 16.262 21.989 599 HG21 VAL 80 HG21 VAL 80 -11.486 14.852 21.975 600 HG22 VAL 80 HG22 VAL 80 -10.906 13.996 20.546 601 HG23 VAL 80 HG23 VAL 80 -12.007 15.361 20.368 602 H ILE 81 H ILE 81 -9.920 18.511 18.907 603 HA ILE 81 HA ILE 81 -12.761 18.499 18.065 604 HB ILE 81 HB ILE 81 -10.770 20.711 18.224 605 HG12 ILE 81 HG13 ILE 81 -12.803 22.076 18.508 606 HG13 ILE 81 HG12 ILE 81 -13.809 20.690 18.111 607 HG21 ILE 81 HG21 ILE 81 -10.937 20.479 15.764 608 HG22 ILE 81 HG22 ILE 81 -11.689 21.973 16.328 609 HG23 ILE 81 HG23 ILE 81 -12.694 20.595 15.879 610 HD11 ILE 81 HD11 ILE 81 -13.254 21.391 20.655 611 HD12 ILE 81 HD12 ILE 81 -11.868 20.341 20.361 612 HD13 ILE 81 HD13 ILE 81 -13.506 19.711 20.177 613 H GLU 82 H GLU 82 -13.221 17.687 16.139 614 HA GLU 82 HA GLU 82 -10.998 16.726 14.452 615 HB2 GLU 82 HB3 GLU 82 -13.833 15.763 14.140 616 HB3 GLU 82 HB2 GLU 82 -12.333 14.929 13.764 617 HG2 GLU 82 HG3 GLU 82 -11.893 14.906 16.301 618 HG3 GLU 82 HG2 GLU 82 -13.575 15.386 16.485 619 H ARG 83 H ARG 83 -10.715 17.682 12.538 620 HA ARG 83 HA ARG 83 -12.992 19.048 11.236 621 HB2 ARG 83 HB3 ARG 83 -10.203 20.165 11.631 622 HB3 ARG 83 HB2 ARG 83 -11.432 20.886 10.593 623 HG2 ARG 83 HG3 ARG 83 -12.905 21.247 12.484 624 HG3 ARG 83 HG2 ARG 83 -11.818 20.362 13.554 625 HD2 ARG 83 HD3 ARG 83 -11.474 22.754 13.868 626 HD3 ARG 83 HD2 ARG 83 -10.049 22.058 13.104 627 HE ARG 83 HE ARG 83 -11.871 23.013 11.131 628 HH11 ARG 83 HH11 ARG 83 -9.538 24.143 13.489 629 HH12 ARG 83 HH12 ARG 83 -9.183 25.594 12.611 630 HH21 ARG 83 HH21 ARG 83 -11.378 24.909 10.023 631 HH22 ARG 83 HH22 ARG 83 -10.217 26.023 10.666 632 H THR 84 H THR 84 -12.874 19.114 8.936 633 HA THR 84 HA THR 84 -11.126 17.042 7.827 634 HB THR 84 HB THR 84 -13.612 17.037 7.397 635 HG1 THR 84 HG1 THR 84 -12.652 15.851 5.946 636 HG21 THR 84 HG21 THR 84 -12.985 19.285 5.474 637 HG22 THR 84 HG22 THR 84 -13.752 19.548 7.041 638 HG23 THR 84 HG23 THR 84 -14.562 18.572 5.816 639 H ASP 85 H ASP 85 -9.741 17.361 6.088 640 HA ASP 85 HA ASP 85 -9.167 20.159 5.335 641 HB2 ASP 85 HB3 ASP 85 -7.545 19.418 7.045 642 HB3 ASP 85 HB2 ASP 85 -7.105 18.052 6.023 643 H THR 86 H THR 86 -9.404 20.362 3.212 644 HA THR 86 HA THR 86 -9.280 18.076 1.435 645 HB THR 86 HB THR 86 -9.559 20.948 0.550 646 HG1 THR 86 HG1 THR 86 -11.441 19.322 1.880 647 HG21 THR 86 HG21 THR 86 -10.471 18.249 -0.447 648 HG22 THR 86 HG22 THR 86 -9.483 19.451 -1.278 649 HG23 THR 86 HG23 THR 86 -11.206 19.743 -1.029 650 H SER 87 H SER 87 -7.040 17.745 2.136 651 HA SER 87 HA SER 87 -4.914 19.465 1.370 652 HB2 SER 87 HB3 SER 87 -3.474 17.507 1.688 653 HB3 SER 87 HB2 SER 87 -4.647 17.627 2.997 654 HG SER 87 HG SER 87 -5.516 15.822 2.353 655 H HIS 88 H HIS 88 -6.624 16.887 -0.295 656 HA HIS 88 HA HIS 88 -5.460 17.753 -2.849 657 HB2 HIS 88 HB3 HIS 88 -5.566 14.863 -1.903 658 HB3 HIS 88 HB2 HIS 88 -5.098 15.385 -3.520 659 HD1 HIS 88 HD1 HIS 88 -2.974 17.156 -3.523 660 HD2 HIS 88 HD2 HIS 88 -3.426 14.740 -0.155 661 HE1 HIS 88 HE1 HIS 88 -0.747 17.183 -2.317 662 HE2 HIS 88 HE2 HIS 88 -1.007 15.715 -0.261 663 H GLY 89 H GLY 89 -6.876 15.427 -4.184 664 HA2 GLY 89 HA3 GLY 89 -9.346 16.641 -4.730 665 HA3 GLY 89 HA2 GLY 89 -8.947 14.959 -5.080 666 H MET 90 H MET 90 -8.414 14.166 -2.390 667 HA MET 90 HA MET 90 -11.156 14.041 -1.338 668 HB2 MET 90 HB3 MET 90 -10.353 12.098 -0.037 669 HB3 MET 90 HB2 MET 90 -10.092 11.870 -1.763 670 HG2 MET 90 HG3 MET 90 -7.730 12.587 -1.487 671 HG3 MET 90 HG2 MET 90 -7.999 12.768 0.246 672 HE1 MET 90 HE1 MET 90 -9.264 9.874 -2.336 673 HE2 MET 90 HE2 MET 90 -7.731 9.005 -2.295 674 HE3 MET 90 HE3 MET 90 -7.764 10.698 -2.783 675 H VAL 91 H VAL 91 -11.192 13.879 1.169 676 HA VAL 91 HA VAL 91 -9.470 16.044 2.234 677 HB VAL 91 HB VAL 91 -11.292 16.586 3.774 678 HG11 VAL 91 HG11 VAL 91 -12.535 16.357 1.030 679 HG12 VAL 91 HG12 VAL 91 -11.216 17.472 1.353 680 HG13 VAL 91 HG13 VAL 91 -12.736 17.640 2.223 681 HG21 VAL 91 HG21 VAL 91 -12.220 14.291 3.971 682 HG22 VAL 91 HG22 VAL 91 -12.855 14.427 2.332 683 HG23 VAL 91 HG23 VAL 91 -13.467 15.482 3.606 684 H ARG 92 H ARG 92 -8.941 15.914 4.541 685 HA ARG 92 HA ARG 92 -8.919 13.160 5.616 686 HB2 ARG 92 HB3 ARG 92 -6.616 15.133 5.578 687 HB3 ARG 92 HB2 ARG 92 -6.623 13.616 6.477 688 HG2 ARG 92 HG3 ARG 92 -6.880 12.347 4.402 689 HG3 ARG 92 HG2 ARG 92 -6.980 13.844 3.473 690 HD2 ARG 92 HD3 ARG 92 -4.713 12.958 3.321 691 HD3 ARG 92 HD2 ARG 92 -4.696 14.447 4.260 692 HE ARG 92 HE ARG 92 -4.113 13.210 6.150 693 HH11 ARG 92 HH11 ARG 92 -5.067 11.033 3.572 694 HH12 ARG 92 HH12 ARG 92 -4.517 9.621 4.408 695 HH21 ARG 92 HH21 ARG 92 -3.412 11.349 7.198 696 HH22 ARG 92 HH22 ARG 92 -3.580 9.801 6.441 697 H THR 93 H THR 93 -9.491 13.043 7.753 698 HA THR 93 HA THR 93 -10.336 15.521 9.016 699 HB THR 93 HB THR 93 -10.483 12.713 10.130 700 HG1 THR 93 HG1 THR 93 -11.742 12.573 8.408 701 HG21 THR 93 HG21 THR 93 -12.377 13.724 11.433 702 HG22 THR 93 HG22 THR 93 -11.924 15.298 10.783 703 HG23 THR 93 HG23 THR 93 -10.806 14.420 11.827 704 H GLU 94 H GLU 94 -8.818 16.703 9.922 705 HA GLU 94 HA GLU 94 -6.472 15.535 11.169 706 HB2 GLU 94 HB3 GLU 94 -7.415 18.386 10.776 707 HB3 GLU 94 HB2 GLU 94 -5.926 17.962 11.621 708 HG2 GLU 94 HG3 GLU 94 -5.025 16.908 9.644 709 HG3 GLU 94 HG2 GLU 94 -6.556 17.072 8.794 710 H VAL 95 H VAL 95 -6.335 15.074 13.264 711 HA VAL 95 HA VAL 95 -8.516 15.878 15.049 712 HB VAL 95 HB VAL 95 -6.231 13.919 15.468 713 HG11 VAL 95 HG11 VAL 95 -6.810 14.617 17.644 714 HG12 VAL 95 HG12 VAL 95 -7.843 13.206 17.411 715 HG13 VAL 95 HG13 VAL 95 -8.514 14.827 17.233 716 HG21 VAL 95 HG21 VAL 95 -7.853 12.195 15.109 717 HG22 VAL 95 HG22 VAL 95 -8.044 13.333 13.775 718 HG23 VAL 95 HG23 VAL 95 -9.184 13.352 15.121 719 H ILE 96 H ILE 96 -8.293 17.508 16.382 720 HA ILE 96 HA ILE 96 -5.590 18.371 17.198 721 HB ILE 96 HB ILE 96 -6.392 20.703 17.142 722 HG12 ILE 96 HG13 ILE 96 -8.696 19.775 15.412 723 HG13 ILE 96 HG12 ILE 96 -8.892 19.879 17.161 724 HG21 ILE 96 HG21 ILE 96 -6.509 20.792 14.540 725 HG22 ILE 96 HG22 ILE 96 -6.266 19.046 14.624 726 HG23 ILE 96 HG23 ILE 96 -5.058 20.143 15.301 727 HD11 ILE 96 HD11 ILE 96 -9.458 21.955 15.657 728 HD12 ILE 96 HD12 ILE 96 -7.714 22.212 15.691 729 HD13 ILE 96 HD13 ILE 96 -8.633 22.170 17.197 730 H CYS 97 H CYS 97 -5.539 19.544 19.185 731 HA CYS 97 HA CYS 97 -7.328 18.459 21.203 732 HB2 CYS 97 HB3 CYS 97 -4.795 19.055 21.286 733 HB3 CYS 97 HB2 CYS 97 -5.351 20.673 21.643 734 H ALA 98 H ALA 98 -8.958 19.550 22.228 735 HA ALA 98 HA ALA 98 -10.289 21.622 20.876 736 HB1 ALA 98 HB1 ALA 98 -11.399 20.011 22.379 737 HB2 ALA 98 HB2 ALA 98 -11.785 21.680 22.794 738 HB3 ALA 98 HB3 ALA 98 -10.616 20.779 23.760 739 H ASN 99 H ASN 99 -7.719 21.764 23.211 740 HA ASN 99 HA ASN 99 -8.242 24.631 23.706 741 HB2 ASN 99 HB3 ASN 99 -6.529 24.370 25.503 742 HB3 ASN 99 HB2 ASN 99 -7.953 23.365 25.709 743 HD21 ASN 99 HD21 ASN 99 -7.591 21.190 26.054 744 HD22 ASN 99 HD22 ASN 99 -6.138 20.387 25.715 745 H CYS 100 H CYS 100 -5.814 22.389 22.497 746 HA CYS 100 HA CYS 100 -4.354 24.711 21.365 747 HB2 CYS 100 HB3 CYS 100 -2.240 23.463 21.674 748 HB3 CYS 100 HB2 CYS 100 -3.041 23.829 23.198 749 H GLU 101 H GLU 101 -3.005 24.132 19.440 750 HA GLU 101 HA GLU 101 -4.677 22.609 17.633 751 HB2 GLU 101 HB3 GLU 101 -3.507 24.884 17.170 752 HB3 GLU 101 HB2 GLU 101 -2.087 23.889 16.864 753 HG2 GLU 101 HG3 GLU 101 -3.222 22.664 15.122 754 HG3 GLU 101 HG2 GLU 101 -4.749 23.457 15.500 755 H SER 102 H SER 102 -4.205 20.582 18.747 756 HA SER 102 HA SER 102 -1.619 19.351 18.256 757 HB2 SER 102 HB3 SER 102 -4.143 18.245 19.498 758 HB3 SER 102 HB2 SER 102 -2.627 17.364 19.357 759 HG SER 102 HG SER 102 -2.413 18.288 21.285 760 H HIS 103 H HIS 103 -2.383 20.088 15.928 761 HA HIS 103 HA HIS 103 -4.037 18.224 14.483 762 HB2 HIS 103 HB3 HIS 103 -2.968 19.378 12.452 763 HB3 HIS 103 HB2 HIS 103 -3.954 20.374 13.513 764 HD1 HIS 103 HD1 HIS 103 -2.620 22.490 12.698 765 HD2 HIS 103 HD2 HIS 103 -0.262 19.682 14.697 766 HE1 HIS 103 HE1 HIS 103 -0.454 23.657 13.290 767 HE2 HIS 103 HE2 HIS 103 0.983 21.963 14.515 768 H LEU 104 H LEU 104 -1.567 17.229 15.978 769 HA LEU 104 HA LEU 104 0.248 16.289 13.952 770 HB2 LEU 104 HB3 LEU 104 1.318 15.120 15.809 771 HB3 LEU 104 HB2 LEU 104 0.979 16.800 16.202 772 HG LEU 104 HG LEU 104 -1.300 15.732 17.179 773 HD11 LEU 104 HD11 LEU 104 -0.571 13.573 18.376 774 HD12 LEU 104 HD12 LEU 104 0.739 13.496 17.199 775 HD13 LEU 104 HD13 LEU 104 -0.936 13.437 16.658 776 HD21 LEU 104 HD21 LEU 104 0.637 17.021 18.340 777 HD22 LEU 104 HD22 LEU 104 1.225 15.432 18.820 778 HD23 LEU 104 HD23 LEU 104 -0.372 15.975 19.338 779 H GLY 105 H GLY 105 -2.718 15.113 15.363 780 HA2 GLY 105 HA3 GLY 105 -2.243 12.432 14.201 781 HA3 GLY 105 HA2 GLY 105 -3.360 12.787 15.506 782 H HIS 106 H HIS 106 -4.015 11.367 13.201 783 HA HIS 106 HA HIS 106 -6.092 13.107 12.019 784 HB2 HIS 106 HB3 HIS 106 -4.339 11.094 10.588 785 HB3 HIS 106 HB2 HIS 106 -5.845 11.708 9.913 786 HD1 HIS 106 HD1 HIS 106 -2.473 12.970 11.133 787 HD2 HIS 106 HD2 HIS 106 -5.605 14.185 8.648 788 HE1 HIS 106 HE1 HIS 106 -1.689 15.077 9.969 789 HE2 HIS 106 HE2 HIS 106 -3.584 15.830 8.457 790 H VAL 107 H VAL 107 -8.044 11.938 11.418 791 HA VAL 107 HA VAL 107 -8.262 9.262 12.657 792 HB VAL 107 HB VAL 107 -9.221 10.938 14.163 793 HG11 VAL 107 HG11 VAL 107 -11.332 11.554 12.109 794 HG12 VAL 107 HG12 VAL 107 -9.848 12.502 12.196 795 HG13 VAL 107 HG13 VAL 107 -10.932 12.437 13.584 796 HG21 VAL 107 HG21 VAL 107 -10.274 8.794 14.256 797 HG22 VAL 107 HG22 VAL 107 -11.180 9.104 12.774 798 HG23 VAL 107 HG23 VAL 107 -11.577 9.983 14.250 799 H PHE 108 H PHE 108 -9.320 7.764 11.555 800 HA PHE 108 HA PHE 108 -10.468 8.555 8.928 801 HB2 PHE 108 HB3 PHE 108 -9.206 5.953 9.816 802 HB3 PHE 108 HB2 PHE 108 -10.005 6.189 8.261 803 HD1 PHE 108 HD1 PHE 108 -7.063 7.000 10.306 804 HD2 PHE 108 HD2 PHE 108 -9.058 7.697 6.566 805 HE1 PHE 108 HE1 PHE 108 -4.989 7.999 9.386 806 HE2 PHE 108 HE2 PHE 108 -6.983 8.697 5.646 807 HZ PHE 108 HZ PHE 108 -4.950 8.848 7.057 808 H ALA 109 H ALA 109 -12.561 8.236 8.556 809 HA ALA 109 HA ALA 109 -14.113 6.641 10.500 810 HB1 ALA 109 HB1 ALA 109 -14.637 9.102 10.216 811 HB2 ALA 109 HB2 ALA 109 -15.999 8.006 9.984 812 HB3 ALA 109 HB3 ALA 109 -15.188 8.713 8.587 813 H GLY 110 H GLY 110 -15.830 5.315 9.742 814 HA2 GLY 110 HA3 GLY 110 -16.902 3.852 8.314 815 HA3 GLY 110 HA2 GLY 110 -16.266 4.782 6.963 816 H GLU 111 H GLU 111 -14.157 3.431 9.413 817 HA GLU 111 HA GLU 111 -12.611 2.014 7.467 818 HB2 GLU 111 HB3 GLU 111 -11.702 3.069 9.560 819 HB3 GLU 111 HB2 GLU 111 -12.461 1.767 10.476 820 HG2 GLU 111 HG3 GLU 111 -10.129 1.193 10.047 821 HG3 GLU 111 HG2 GLU 111 -11.173 0.107 9.140 822 H GLY 112 H GLY 112 -15.196 1.114 9.669 823 HA2 GLY 112 HA3 GLY 112 -16.560 -0.796 9.391 824 HA3 GLY 112 HA2 GLY 112 -15.282 -1.547 8.444 825 H TYR 113 H TYR 113 -14.962 -0.048 11.642 826 HA TYR 113 HA TYR 113 -13.849 -2.554 12.670 827 HB2 TYR 113 HB3 TYR 113 -13.685 0.320 13.447 828 HB3 TYR 113 HB2 TYR 113 -13.553 -0.860 14.749 829 HD1 TYR 113 HD1 TYR 113 -12.214 -0.182 11.300 830 HD2 TYR 113 HD2 TYR 113 -11.456 -1.811 15.203 831 HE1 TYR 113 HE1 TYR 113 -9.858 -0.629 10.662 832 HE2 TYR 113 HE2 TYR 113 -9.103 -2.252 14.562 833 HH TYR 113 HH TYR 113 -8.002 -2.519 11.689 834 H ASP 114 H ASP 114 -16.862 -1.776 12.302 835 HA ASP 114 HA ASP 114 -18.829 -2.265 13.338 836 HB2 ASP 114 HB3 ASP 114 -17.517 -4.462 13.497 837 HB3 ASP 114 HB2 ASP 114 -17.243 -4.039 15.185 838 H THR 115 H THR 115 -17.972 0.112 14.170 839 HA THR 115 HA THR 115 -18.686 0.151 17.016 840 HB THR 115 HB THR 115 -17.156 2.366 16.908 841 HG1 THR 115 HG1 THR 115 -15.935 0.526 15.138 842 HG21 THR 115 HG21 THR 115 -15.799 1.290 18.376 843 HG22 THR 115 HG22 THR 115 -15.516 -0.069 17.288 844 HG23 THR 115 HG23 THR 115 -16.992 0.000 18.250 845 HA PRO 116 HA PRO 116 -21.775 3.100 15.982 846 HB2 PRO 116 HB3 PRO 116 -21.523 4.997 17.978 847 HB3 PRO 116 HB2 PRO 116 -22.314 3.422 18.182 848 HG2 PRO 116 HG3 PRO 116 -19.550 4.258 18.928 849 HG3 PRO 116 HG2 PRO 116 -20.707 3.251 19.818 850 HD2 PRO 116 HD3 PRO 116 -18.649 2.175 18.446 851 HD3 PRO 116 HD2 PRO 116 -20.219 1.352 18.548 852 H THR 117 H THR 117 -18.517 4.318 16.457 853 HA THR 117 HA THR 117 -19.129 6.691 14.795 854 HB THR 117 HB THR 117 -17.037 7.639 15.659 855 HG1 THR 117 HG1 THR 117 -15.987 6.441 17.344 856 HG21 THR 117 HG21 THR 117 -18.337 6.626 18.144 857 HG22 THR 117 HG22 THR 117 -19.343 7.547 17.024 858 HG23 THR 117 HG23 THR 117 -17.888 8.271 17.703 859 H ASP 118 H ASP 118 -17.271 3.748 14.962 860 HA ASP 118 HA ASP 118 -15.814 2.725 13.501 861 HB2 ASP 118 HB3 ASP 118 -17.375 4.387 11.503 862 HB3 ASP 118 HB2 ASP 118 -16.357 3.003 11.108 863 H LEU 119 H LEU 119 -14.836 5.057 14.799 864 HA LEU 119 HA LEU 119 -13.250 6.454 12.760 865 HB2 LEU 119 HB3 LEU 119 -13.618 6.984 15.716 866 HB3 LEU 119 HB2 LEU 119 -12.589 7.936 14.650 867 HG LEU 119 HG LEU 119 -15.554 7.514 14.170 868 HD11 LEU 119 HD11 LEU 119 -14.959 8.755 16.314 869 HD12 LEU 119 HD12 LEU 119 -15.929 9.669 15.158 870 HD13 LEU 119 HD13 LEU 119 -14.198 9.976 15.293 871 HD21 LEU 119 HD21 LEU 119 -13.456 9.368 12.987 872 HD22 LEU 119 HD22 LEU 119 -15.189 9.583 12.735 873 HD23 LEU 119 HD23 LEU 119 -14.385 8.131 12.140 874 H ARG 120 H ARG 120 -11.067 6.395 12.674 875 HA ARG 120 HA ARG 120 -9.671 4.501 14.462 876 HB2 ARG 120 HB3 ARG 120 -10.124 3.869 11.931 877 HB3 ARG 120 HB2 ARG 120 -8.786 4.966 11.629 878 HG2 ARG 120 HG3 ARG 120 -7.470 3.141 11.967 879 HG3 ARG 120 HG2 ARG 120 -7.740 3.451 13.676 880 HD2 ARG 120 HD3 ARG 120 -9.474 1.639 11.972 881 HD3 ARG 120 HD2 ARG 120 -8.169 1.076 13.001 882 HE ARG 120 HE ARG 120 -9.445 1.687 14.919 883 HH11 ARG 120 HH11 ARG 120 -11.220 2.270 11.935 884 HH12 ARG 120 HH12 ARG 120 -12.746 2.348 12.741 885 HH21 ARG 120 HH21 ARG 120 -11.460 1.767 15.895 886 HH22 ARG 120 HH22 ARG 120 -12.884 2.062 14.952 887 H TYR 121 H TYR 121 -9.252 6.470 15.731 888 HA TYR 121 HA TYR 121 -7.757 8.662 14.712 889 HB2 TYR 121 HB3 TYR 121 -7.973 7.583 17.528 890 HB3 TYR 121 HB2 TYR 121 -7.272 9.133 17.093 891 HD1 TYR 121 HD1 TYR 121 -10.380 7.193 17.360 892 HD2 TYR 121 HD2 TYR 121 -8.672 11.009 16.427 893 HE1 TYR 121 HE1 TYR 121 -12.622 8.220 17.537 894 HE2 TYR 121 HE2 TYR 121 -10.916 12.050 16.586 895 HH TYR 121 HH TYR 121 -13.680 10.290 17.801 896 H CYS 122 H CYS 122 -5.661 8.755 14.213 897 HA CYS 122 HA CYS 122 -3.831 6.668 15.253 898 HB2 CYS 122 HB3 CYS 122 -3.558 8.425 12.793 899 HB3 CYS 122 HB2 CYS 122 -2.390 7.215 13.322 900 HG CYS 122 HG CYS 122 -4.156 5.353 12.837 901 H ILE 123 H ILE 123 -3.435 7.721 17.230 902 HA ILE 123 HA ILE 123 -1.588 9.985 17.048 903 HB ILE 123 HB ILE 123 -3.721 10.294 19.147 904 HG12 ILE 123 HG13 ILE 123 -4.201 11.094 16.239 905 HG13 ILE 123 HG12 ILE 123 -5.062 9.823 17.088 906 HG21 ILE 123 HG21 ILE 123 -1.590 11.775 18.633 907 HG22 ILE 123 HG22 ILE 123 -3.108 12.548 19.079 908 HG23 ILE 123 HG23 ILE 123 -2.619 12.478 17.391 909 HD11 ILE 123 HD11 ILE 123 -5.275 12.799 17.412 910 HD12 ILE 123 HD12 ILE 123 -5.611 11.764 18.805 911 HD13 ILE 123 HD13 ILE 123 -6.553 11.580 17.325 912 H ASN 124 H ASN 124 -1.644 10.449 19.966 913 HA ASN 124 HA ASN 124 -0.576 9.692 21.850 914 HB2 ASN 124 HB3 ASN 124 -1.879 7.091 20.996 915 HB3 ASN 124 HB2 ASN 124 -1.218 7.425 22.596 916 HD21 ASN 124 HD21 ASN 124 -3.973 7.881 20.525 917 HD22 ASN 124 HD22 ASN 124 -4.896 8.797 21.613 918 H SER 125 H SER 125 1.028 9.808 19.514 919 HA SER 125 HA SER 125 2.865 7.533 19.983 920 HB2 SER 125 HB3 SER 125 2.207 8.903 17.380 921 HB3 SER 125 HB2 SER 125 3.532 7.762 17.589 922 HG SER 125 HG SER 125 2.125 6.160 17.859 923 H VAL 126 H VAL 126 2.680 10.783 20.585 924 HA VAL 126 HA VAL 126 5.575 11.105 20.078 925 HB VAL 126 HB VAL 126 3.970 12.547 18.673 926 HG11 VAL 126 HG11 VAL 126 2.869 14.370 19.574 927 HG12 VAL 126 HG12 VAL 126 3.941 14.484 20.973 928 HG13 VAL 126 HG13 VAL 126 2.694 13.231 20.907 929 HG21 VAL 126 HG21 VAL 126 6.205 13.758 20.314 930 HG22 VAL 126 HG22 VAL 126 5.512 14.512 18.879 931 HG23 VAL 126 HG23 VAL 126 6.347 12.964 18.745 932 H CYS 127 H CYS 127 4.803 9.917 22.427 933 HA CYS 127 HA CYS 127 5.284 10.002 24.666 934 HB2 CYS 127 HB3 CYS 127 7.265 11.385 23.743 935 HB3 CYS 127 HB2 CYS 127 6.377 12.790 24.331 936 HG CYS 127 HG CYS 127 7.935 10.892 26.071 937 H LEU 128 H LEU 128 2.801 10.229 24.426 938 HA LEU 128 HA LEU 128 1.719 12.740 25.447 939 HB2 LEU 128 HB3 LEU 128 0.450 11.668 23.724 940 HB3 LEU 128 HB2 LEU 128 0.501 10.115 24.544 941 HG LEU 128 HG LEU 128 -0.774 12.406 26.020 942 HD11 LEU 128 HD11 LEU 128 -1.901 11.126 23.535 943 HD12 LEU 128 HD12 LEU 128 -1.926 12.819 24.024 944 HD13 LEU 128 HD13 LEU 128 -2.983 11.658 24.824 945 HD21 LEU 128 HD21 LEU 128 -0.682 10.285 27.152 946 HD22 LEU 128 HD22 LEU 128 -1.248 9.430 25.727 947 HD23 LEU 128 HD23 LEU 128 -2.347 10.480 26.620 948 H THR 129 H THR 129 0.483 12.827 27.450 949 HA THR 129 HA THR 129 1.762 11.255 29.553 950 HB THR 129 HB THR 129 -0.189 13.568 29.714 951 HG1 THR 129 HG1 THR 129 2.628 13.423 29.985 952 HG21 THR 129 HG21 THR 129 0.956 13.728 32.052 953 HG22 THR 129 HG22 THR 129 1.370 12.033 31.792 954 HG23 THR 129 HG23 THR 129 -0.322 12.534 31.827 955 H LEU 130 H LEU 130 0.895 9.628 30.634 956 HA LEU 130 HA LEU 130 -1.874 8.828 30.056 957 HB2 LEU 130 HB3 LEU 130 -0.327 7.082 29.603 958 HB3 LEU 130 HB2 LEU 130 0.564 7.379 31.077 959 HG LEU 130 HG LEU 130 -0.913 5.263 30.950 960 HD11 LEU 130 HD11 LEU 130 0.097 6.497 33.038 961 HD12 LEU 130 HD12 LEU 130 -1.066 5.193 33.255 962 HD13 LEU 130 HD13 LEU 130 -1.593 6.868 33.391 963 HD21 LEU 130 HD21 LEU 130 -3.174 5.369 30.870 964 HD22 LEU 130 HD22 LEU 130 -2.966 7.029 30.322 965 HD23 LEU 130 HD23 LEU 130 -3.259 6.696 32.029 966 H ILE 131 H ILE 131 -3.433 8.884 31.522 967 HA ILE 131 HA ILE 131 -2.776 9.760 34.267 968 HB ILE 131 HB ILE 131 -5.457 9.757 32.841 969 HG12 ILE 131 HG13 ILE 131 -3.928 11.349 31.739 970 HG13 ILE 131 HG12 ILE 131 -5.180 12.209 32.625 971 HG21 ILE 131 HG21 ILE 131 -5.867 9.712 35.173 972 HG22 ILE 131 HG22 ILE 131 -5.990 11.415 34.730 973 HG23 ILE 131 HG23 ILE 131 -4.530 10.812 35.514 974 HD11 ILE 131 HD11 ILE 131 -2.961 13.258 32.958 975 HD12 ILE 131 HD12 ILE 131 -2.339 11.740 33.605 976 HD13 ILE 131 HD13 ILE 131 -3.592 12.622 34.477 977 HA PRO 132 HA PRO 132 -3.821 5.424 35.215 978 HB2 PRO 132 HB3 PRO 132 -3.209 5.514 37.886 979 HB3 PRO 132 HB2 PRO 132 -1.985 5.326 36.615 980 HG2 PRO 132 HG3 PRO 132 -2.756 7.752 38.147 981 HG3 PRO 132 HG2 PRO 132 -1.165 7.223 37.590 982 HD2 PRO 132 HD3 PRO 132 -2.638 9.163 36.370 983 HD3 PRO 132 HD2 PRO 132 -1.422 8.169 35.537 984 H ALA 133 H ALA 133 -6.041 5.740 34.840 985 HA ALA 133 HA ALA 133 -7.818 7.199 36.411 986 HB1 ALA 133 HB1 ALA 133 -8.086 4.886 34.522 987 HB2 ALA 133 HB2 ALA 133 -8.658 6.549 34.344 988 HB3 ALA 133 HB3 ALA 133 -9.497 5.440 35.428 989 H GLU 134 H GLU 134 -7.176 3.666 36.559 990 HA GLU 134 HA GLU 134 -7.346 3.468 39.364 991 HB2 GLU 134 HB3 GLU 134 -9.771 4.038 38.817 992 HB3 GLU 134 HB2 GLU 134 -9.846 2.492 37.983 993 HG2 GLU 134 HG3 GLU 134 -9.206 1.332 40.066 994 HG3 GLU 134 HG2 GLU 134 -9.110 2.881 40.901 995 H GLU 135 H GLU 135 -8.598 1.595 36.584 996 HA GLU 135 HA GLU 135 -8.197 -0.537 35.866 997 HB2 GLU 135 HB3 GLU 135 -5.463 0.228 36.902 998 HB3 GLU 135 HB2 GLU 135 -5.774 -1.289 36.061 999 HG2 GLU 135 HG3 GLU 135 -6.349 1.470 34.939 1000 HG3 GLU 135 HG2 GLU 135 -4.955 0.480 34.523 1001 H SER 136 H SER 136 -9.589 -0.515 38.120 1002 HA SER 136 HA SER 136 -8.523 -2.820 39.635 1003 HB2 SER 136 HB3 SER 136 -8.470 -0.603 40.907 1004 HB3 SER 136 HB2 SER 136 -10.230 -0.662 40.874 1005 HG SER 136 HG SER 136 -8.591 -2.782 41.807 Start of MODEL 14 1 H MET 1 H1 MET 1 -10.187 26.154 28.689 2 HA MET 1 HA MET 1 -10.905 27.948 30.279 3 HB2 MET 1 HB3 MET 1 -11.028 26.321 32.214 4 HB3 MET 1 HB2 MET 1 -9.266 26.271 32.200 5 HG2 MET 1 HG3 MET 1 -9.977 27.907 33.850 6 HG3 MET 1 HG2 MET 1 -9.250 28.763 32.491 7 HE1 MET 1 HE1 MET 1 -12.773 27.069 33.137 8 HE2 MET 1 HE2 MET 1 -13.661 28.490 33.681 9 HE3 MET 1 HE3 MET 1 -12.249 27.944 34.582 10 H THR 2 H THR 2 -9.420 29.645 30.453 11 HA THR 2 HA THR 2 -7.542 30.863 29.969 12 HB THR 2 HB THR 2 -5.951 28.319 30.320 13 HG1 THR 2 HG1 THR 2 -5.905 28.947 32.531 14 HG21 THR 2 HG21 THR 2 -5.383 31.270 30.689 15 HG22 THR 2 HG22 THR 2 -4.644 30.178 29.517 16 HG23 THR 2 HG23 THR 2 -4.297 29.993 31.236 17 H ASN 3 H ASN 3 -6.731 31.566 28.104 18 HA ASN 3 HA ASN 3 -6.988 29.890 25.736 19 HB2 ASN 3 HB3 ASN 3 -7.780 32.242 25.728 20 HB3 ASN 3 HB2 ASN 3 -6.129 32.782 26.005 21 HD21 ASN 3 HD21 ASN 3 -6.957 33.882 23.781 22 HD22 ASN 3 HD22 ASN 3 -6.490 33.049 22.378 23 H PHE 4 H PHE 4 -5.361 28.557 25.251 24 HA PHE 4 HA PHE 4 -2.648 29.040 26.128 25 HB2 PHE 4 HB3 PHE 4 -3.871 26.898 24.377 26 HB3 PHE 4 HB2 PHE 4 -2.181 26.920 24.881 27 HD1 PHE 4 HD1 PHE 4 -5.669 26.516 26.000 28 HD2 PHE 4 HD2 PHE 4 -1.545 26.502 27.203 29 HE1 PHE 4 HE1 PHE 4 -6.301 25.463 28.154 30 HE2 PHE 4 HE2 PHE 4 -2.177 25.452 29.357 31 HZ PHE 4 HZ PHE 4 -4.555 24.932 29.833 32 H LYS 5 H LYS 5 -4.471 29.985 23.416 33 HA LYS 5 HA LYS 5 -2.557 29.905 21.336 34 HB2 LYS 5 HB3 LYS 5 -4.839 31.867 21.725 35 HB3 LYS 5 HB2 LYS 5 -4.012 31.522 20.209 36 HG2 LYS 5 HG3 LYS 5 -5.536 29.452 21.817 37 HG3 LYS 5 HG2 LYS 5 -6.217 30.334 20.455 38 HD2 LYS 5 HD3 LYS 5 -4.661 29.334 18.920 39 HD3 LYS 5 HD2 LYS 5 -3.707 28.648 20.235 40 HE2 LYS 5 HE3 LYS 5 -5.089 26.880 19.369 41 HE3 LYS 5 HE2 LYS 5 -5.747 27.358 20.938 42 HZ1 LYS 5 HZ1 LYS 5 -7.248 28.888 19.638 43 HZ2 LYS 5 HZ2 LYS 5 -7.570 27.227 19.487 44 HZ3 LYS 5 HZ3 LYS 5 -6.763 28.055 18.243 45 H LEU 6 H LEU 6 -3.277 32.254 23.847 46 HA LEU 6 HA LEU 6 -1.689 34.377 22.815 47 HB2 LEU 6 HB3 LEU 6 -2.611 33.872 25.656 48 HB3 LEU 6 HB2 LEU 6 -2.001 35.398 25.026 49 HG LEU 6 HG LEU 6 -4.500 33.969 24.051 50 HD11 LEU 6 HD11 LEU 6 -5.749 35.652 25.213 51 HD12 LEU 6 HD12 LEU 6 -4.287 36.566 25.588 52 HD13 LEU 6 HD13 LEU 6 -4.576 35.008 26.362 53 HD21 LEU 6 HD21 LEU 6 -3.147 36.547 23.222 54 HD22 LEU 6 HD22 LEU 6 -4.875 36.296 22.962 55 HD23 LEU 6 HD23 LEU 6 -3.703 35.219 22.200 56 H ILE 7 H ILE 7 -0.857 31.476 24.456 57 HA ILE 7 HA ILE 7 1.396 32.247 25.932 58 HB ILE 7 HB ILE 7 0.869 29.635 24.476 59 HG12 ILE 7 HG13 ILE 7 0.467 30.340 27.397 60 HG13 ILE 7 HG12 ILE 7 -0.826 30.425 26.203 61 HG21 ILE 7 HG21 ILE 7 3.283 30.019 25.156 62 HG22 ILE 7 HG22 ILE 7 2.527 28.649 25.962 63 HG23 ILE 7 HG23 ILE 7 2.730 30.174 26.822 64 HD11 ILE 7 HD11 ILE 7 -0.655 28.063 25.749 65 HD12 ILE 7 HD12 ILE 7 -0.740 28.255 27.501 66 HD13 ILE 7 HD13 ILE 7 0.811 27.932 26.720 67 H THR 8 H THR 8 3.533 32.427 25.458 68 HA THR 8 HA THR 8 4.210 33.226 22.769 69 HB THR 8 HB THR 8 6.404 33.780 23.787 70 HG1 THR 8 HG1 THR 8 6.074 32.022 25.420 71 HG21 THR 8 HG21 THR 8 5.609 35.615 25.137 72 HG22 THR 8 HG22 THR 8 4.095 34.773 25.469 73 HG23 THR 8 HG23 THR 8 4.442 35.354 23.840 74 H ASP 9 H ASP 9 6.155 32.403 21.697 75 HA ASP 9 HA ASP 9 6.045 29.619 21.364 76 HB2 ASP 9 HB3 ASP 9 8.085 31.668 20.502 77 HB3 ASP 9 HB2 ASP 9 8.200 29.971 20.055 78 H THR 10 H THR 10 8.283 31.650 23.223 79 HA THR 10 HA THR 10 10.162 29.652 23.878 80 HB THR 10 HB THR 10 9.342 32.088 25.497 81 HG1 THR 10 HG1 THR 10 11.266 31.630 23.472 82 HG21 THR 10 HG21 THR 10 10.684 30.305 26.725 83 HG22 THR 10 HG22 THR 10 11.472 31.881 26.610 84 HG23 THR 10 HG23 THR 10 11.967 30.569 25.543 85 H GLU 11 H GLU 11 7.216 30.732 25.555 86 HA GLU 11 HA GLU 11 7.441 29.085 27.812 87 HB2 GLU 11 HB3 GLU 11 5.020 30.238 26.428 88 HB3 GLU 11 HB2 GLU 11 4.937 29.369 27.956 89 HG2 GLU 11 HG3 GLU 11 6.404 30.969 29.021 90 HG3 GLU 11 HG2 GLU 11 6.719 31.772 27.489 91 H TRP 12 H TRP 12 6.020 28.475 24.623 92 HA TRP 12 HA TRP 12 4.903 25.944 25.236 93 HB2 TRP 12 HB3 TRP 12 5.711 27.348 22.713 94 HB3 TRP 12 HB2 TRP 12 5.325 25.632 22.648 95 HD1 TRP 12 HD1 TRP 12 3.718 28.904 22.406 96 HE1 TRP 12 HE1 TRP 12 1.159 28.677 22.655 97 HE3 TRP 12 HE3 TRP 12 3.445 24.169 24.284 98 HZ2 TRP 12 HZ2 TRP 12 -0.753 26.731 23.538 99 HZ3 TRP 12 HZ3 TRP 12 1.253 23.151 24.819 100 HH2 TRP 12 HH2 TRP 12 -0.849 24.421 24.445 101 H ARG 13 H ARG 13 8.121 26.925 24.124 102 HA ARG 13 HA ARG 13 9.142 24.336 23.597 103 HB2 ARG 13 HB3 ARG 13 10.522 26.922 24.333 104 HB3 ARG 13 HB2 ARG 13 11.381 25.454 23.866 105 HG2 ARG 13 HG3 ARG 13 10.220 25.431 21.706 106 HG3 ARG 13 HG2 ARG 13 9.304 26.863 22.172 107 HD2 ARG 13 HD3 ARG 13 11.171 27.545 20.771 108 HD3 ARG 13 HD2 ARG 13 11.446 28.111 22.417 109 HE ARG 13 HE ARG 13 12.638 25.553 22.053 110 HH11 ARG 13 HH11 ARG 13 13.090 28.918 21.176 111 HH12 ARG 13 HH12 ARG 13 14.808 28.765 21.021 112 HH21 ARG 13 HH21 ARG 13 14.872 25.402 21.843 113 HH22 ARG 13 HH22 ARG 13 15.807 26.790 21.396 114 H GLN 14 H GLN 14 9.219 26.379 26.489 115 HA GLN 14 HA GLN 14 10.686 24.392 28.004 116 HB2 GLN 14 HB3 GLN 14 10.225 26.010 29.950 117 HB3 GLN 14 HB2 GLN 14 11.260 26.568 28.643 118 HG2 GLN 14 HG3 GLN 14 9.829 28.198 28.023 119 HG3 GLN 14 HG2 GLN 14 8.416 27.189 28.220 120 HE21 GLN 14 HE21 GLN 14 8.613 29.951 29.090 121 HE22 GLN 14 HE22 GLN 14 8.435 29.958 30.775 122 H ARG 15 H ARG 15 7.363 25.165 27.430 123 HA ARG 15 HA ARG 15 6.184 23.997 29.735 124 HB2 ARG 15 HB3 ARG 15 5.274 24.748 26.989 125 HB3 ARG 15 HB2 ARG 15 4.235 23.689 27.944 126 HG2 ARG 15 HG3 ARG 15 3.977 25.316 29.659 127 HG3 ARG 15 HG2 ARG 15 5.320 26.287 29.063 128 HD2 ARG 15 HD3 ARG 15 4.066 26.833 27.048 129 HD3 ARG 15 HD2 ARG 15 2.744 25.785 27.546 130 HE ARG 15 HE ARG 15 3.368 28.436 28.601 131 HH11 ARG 15 HH11 ARG 15 1.550 25.469 29.036 132 HH12 ARG 15 HH12 ARG 15 0.387 26.202 30.088 133 HH21 ARG 15 HH21 ARG 15 1.838 29.343 29.976 134 HH22 ARG 15 HH22 ARG 15 0.550 28.376 30.615 135 H LEU 16 H LEU 16 6.999 22.716 26.543 136 HA LEU 16 HA LEU 16 6.755 19.985 27.617 137 HB2 LEU 16 HB3 LEU 16 5.767 19.423 25.239 138 HB3 LEU 16 HB2 LEU 16 4.719 19.991 26.531 139 HG LEU 16 HG LEU 16 5.010 22.345 25.588 140 HD11 LEU 16 HD11 LEU 16 6.262 20.758 23.336 141 HD12 LEU 16 HD12 LEU 16 7.033 22.021 24.296 142 HD13 LEU 16 HD13 LEU 16 5.720 22.430 23.192 143 HD21 LEU 16 HD21 LEU 16 3.066 20.745 25.136 144 HD22 LEU 16 HD22 LEU 16 3.834 20.426 23.584 145 HD23 LEU 16 HD23 LEU 16 3.294 22.055 23.980 146 H SER 17 H SER 17 7.476 18.367 25.819 147 HA SER 17 HA SER 17 10.235 18.641 25.457 148 HB2 SER 17 HB3 SER 17 8.203 16.828 24.162 149 HB3 SER 17 HB2 SER 17 9.931 16.681 23.852 150 HG SER 17 HG SER 17 10.247 16.083 25.914 151 H SER 18 H SER 18 11.484 18.752 23.521 152 HA SER 18 HA SER 18 10.832 20.901 21.831 153 HB2 SER 18 HB3 SER 18 13.155 20.191 22.216 154 HB3 SER 18 HB2 SER 18 12.831 18.671 21.388 155 HG SER 18 HG SER 18 13.409 19.769 19.685 156 H GLU 19 H GLU 19 10.619 17.407 21.392 157 HA GLU 19 HA GLU 19 9.707 17.459 18.716 158 HB2 GLU 19 HB3 GLU 19 8.751 15.153 19.321 159 HB3 GLU 19 HB2 GLU 19 10.496 15.354 19.453 160 HG2 GLU 19 HG3 GLU 19 8.873 15.910 21.901 161 HG3 GLU 19 HG2 GLU 19 9.008 14.236 21.401 162 H GLU 20 H GLU 20 7.983 17.411 21.819 163 HA GLU 20 HA GLU 20 5.374 17.306 20.818 164 HB2 GLU 20 HB3 GLU 20 6.532 18.411 23.380 165 HB3 GLU 20 HB2 GLU 20 4.798 18.296 23.069 166 HG2 GLU 20 HG3 GLU 20 4.938 15.897 22.793 167 HG3 GLU 20 HG2 GLU 20 6.694 15.943 22.857 168 H TYR 21 H TYR 21 7.589 19.997 21.402 169 HA TYR 21 HA TYR 21 5.780 22.130 21.125 170 HB2 TYR 21 HB3 TYR 21 8.033 22.465 21.989 171 HB3 TYR 21 HB2 TYR 21 8.744 21.916 20.478 172 HD1 TYR 21 HD1 TYR 21 6.914 24.681 22.129 173 HD2 TYR 21 HD2 TYR 21 8.849 23.349 18.535 174 HE1 TYR 21 HE1 TYR 21 6.861 26.996 21.234 175 HE2 TYR 21 HE2 TYR 21 8.801 25.662 17.647 176 HH TYR 21 HH TYR 21 6.905 28.103 18.993 177 H ARG 22 H ARG 22 7.888 20.604 18.626 178 HA ARG 22 HA ARG 22 6.772 22.172 16.501 179 HB2 ARG 22 HB3 ARG 22 8.097 20.764 15.011 180 HB3 ARG 22 HB2 ARG 22 9.062 21.272 16.392 181 HG2 ARG 22 HG3 ARG 22 8.614 19.082 17.485 182 HG3 ARG 22 HG2 ARG 22 7.712 18.573 16.055 183 HD2 ARG 22 HD3 ARG 22 9.730 18.885 14.672 184 HD3 ARG 22 HD2 ARG 22 10.632 19.387 16.099 185 HE ARG 22 HE ARG 22 9.478 16.857 16.595 186 HH11 ARG 22 HH11 ARG 22 11.985 18.305 14.616 187 HH12 ARG 22 HH12 ARG 22 12.930 16.855 14.551 188 HH21 ARG 22 HH21 ARG 22 10.738 14.996 16.482 189 HH22 ARG 22 HH22 ARG 22 12.228 14.998 15.599 190 H VAL 23 H VAL 23 6.195 18.943 17.737 191 HA VAL 23 HA VAL 23 4.499 18.006 15.690 192 HB VAL 23 HB VAL 23 4.810 17.265 18.611 193 HG11 VAL 23 HG11 VAL 23 2.636 16.472 18.112 194 HG12 VAL 23 HG12 VAL 23 3.685 15.082 17.821 195 HG13 VAL 23 HG13 VAL 23 3.087 16.041 16.462 196 HG21 VAL 23 HG21 VAL 23 6.225 15.535 17.828 197 HG22 VAL 23 HG22 VAL 23 6.678 16.919 16.835 198 HG23 VAL 23 HG23 VAL 23 5.629 15.673 16.173 199 H LEU 24 H LEU 24 3.815 19.682 18.739 200 HA LEU 24 HA LEU 24 0.963 19.754 18.265 201 HB2 LEU 24 HB3 LEU 24 2.732 20.920 20.414 202 HB3 LEU 24 HB2 LEU 24 0.991 21.187 20.363 203 HG LEU 24 HG LEU 24 2.181 18.403 20.276 204 HD11 LEU 24 HD11 LEU 24 1.651 20.192 22.636 205 HD12 LEU 24 HD12 LEU 24 2.962 19.043 22.368 206 HD13 LEU 24 HD13 LEU 24 1.358 18.459 22.793 207 HD21 LEU 24 HD21 LEU 24 -0.091 18.406 19.583 208 HD22 LEU 24 HD22 LEU 24 -0.546 19.596 20.799 209 HD23 LEU 24 HD23 LEU 24 -0.158 17.944 21.282 210 H ARG 25 H ARG 25 3.584 21.725 17.251 211 HA ARG 25 HA ARG 25 1.938 24.148 17.120 212 HB2 ARG 25 HB3 ARG 25 4.336 24.234 17.857 213 HB3 ARG 25 HB2 ARG 25 4.802 23.830 16.207 214 HG2 ARG 25 HG3 ARG 25 2.899 26.125 16.597 215 HG3 ARG 25 HG2 ARG 25 4.574 26.373 17.068 216 HD2 ARG 25 HD3 ARG 25 3.636 25.469 14.328 217 HD3 ARG 25 HD2 ARG 25 4.210 27.078 14.742 218 HE ARG 25 HE ARG 25 5.836 24.701 14.347 219 HH11 ARG 25 HH11 ARG 25 5.698 27.932 15.700 220 HH12 ARG 25 HH12 ARG 25 7.418 28.131 15.699 221 HH21 ARG 25 HH21 ARG 25 8.068 25.004 14.359 222 HH22 ARG 25 HH22 ARG 25 8.748 26.485 14.945 223 H GLU 26 H GLU 26 3.742 22.045 14.831 224 HA GLU 26 HA GLU 26 1.917 23.016 12.715 225 HB2 GLU 26 HB3 GLU 26 3.809 23.055 11.129 226 HB3 GLU 26 HB2 GLU 26 4.026 24.200 12.449 227 HG2 GLU 26 HG3 GLU 26 5.493 22.581 13.611 228 HG3 GLU 26 HG2 GLU 26 5.281 21.441 12.284 229 H ALA 27 H ALA 27 2.030 20.442 14.310 230 HA ALA 27 HA ALA 27 1.781 18.176 13.936 231 HB1 ALA 27 HB1 ALA 27 0.773 19.528 11.489 232 HB2 ALA 27 HB2 ALA 27 -0.040 18.400 12.571 233 HB3 ALA 27 HB3 ALA 27 1.073 17.796 11.350 234 H GLY 28 H GLY 28 4.371 18.870 14.000 235 HA2 GLY 28 HA3 GLY 28 5.972 18.409 11.767 236 HA3 GLY 28 HA2 GLY 28 6.492 18.202 13.430 237 H THR 29 H THR 29 4.879 16.063 14.235 238 HA THR 29 HA THR 29 4.751 13.872 12.464 239 HB THR 29 HB THR 29 6.860 12.748 13.867 240 HG1 THR 29 HG1 THR 29 8.078 14.280 14.537 241 HG21 THR 29 HG21 THR 29 6.251 13.076 11.228 242 HG22 THR 29 HG22 THR 29 7.771 12.400 11.809 243 HG23 THR 29 HG23 THR 29 7.681 14.101 11.364 244 H GLU 30 H GLU 30 5.129 11.699 14.018 245 HA GLU 30 HA GLU 30 4.024 12.201 16.674 246 HB2 GLU 30 HB3 GLU 30 2.164 10.588 16.322 247 HB3 GLU 30 HB2 GLU 30 2.004 12.024 15.317 248 HG2 GLU 30 HG3 GLU 30 3.465 9.710 14.108 249 HG3 GLU 30 HG2 GLU 30 1.731 9.522 14.339 250 H ALA 31 H ALA 31 6.431 11.476 16.660 251 HA ALA 31 HA ALA 31 6.688 8.548 16.551 252 HB1 ALA 31 HB1 ALA 31 8.425 9.785 15.402 253 HB2 ALA 31 HB2 ALA 31 9.112 9.005 16.828 254 HB3 ALA 31 HB3 ALA 31 8.756 10.733 16.852 255 HA PRO 32 HA PRO 32 6.301 8.706 21.089 256 HB2 PRO 32 HB3 PRO 32 6.096 6.037 21.492 257 HB3 PRO 32 HB2 PRO 32 4.749 7.000 20.847 258 HG2 PRO 32 HG3 PRO 32 6.728 5.323 19.360 259 HG3 PRO 32 HG2 PRO 32 4.970 5.388 19.187 260 HD2 PRO 32 HD3 PRO 32 6.620 6.697 17.520 261 HD3 PRO 32 HD2 PRO 32 5.023 7.335 17.968 262 H HIS 33 H HIS 33 7.448 7.071 22.817 263 HA HIS 33 HA HIS 33 9.419 6.498 23.837 264 HB2 HIS 33 HB3 HIS 33 10.149 5.764 20.994 265 HB3 HIS 33 HB2 HIS 33 11.133 5.367 22.401 266 HD1 HIS 33 HD1 HIS 33 10.200 3.586 24.055 267 HD2 HIS 33 HD2 HIS 33 7.734 4.284 20.772 268 HE1 HIS 33 HE1 HIS 33 8.470 1.736 24.054 269 HE2 HIS 33 HE2 HIS 33 6.961 2.143 22.053 270 H THR 34 H THR 34 9.028 9.219 23.130 271 HA THR 34 HA THR 34 11.763 10.143 22.495 272 HB THR 34 HB THR 34 10.701 12.330 22.036 273 HG1 THR 34 HG1 THR 34 8.263 10.930 22.295 274 HG21 THR 34 HG21 THR 34 9.536 9.962 20.557 275 HG22 THR 34 HG22 THR 34 11.047 10.794 20.186 276 HG23 THR 34 HG23 THR 34 9.508 11.628 19.971 277 H GLY 35 H GLY 35 10.346 9.255 25.169 278 HA2 GLY 35 HA3 GLY 35 11.547 11.380 26.788 279 HA3 GLY 35 HA2 GLY 35 9.865 10.949 27.097 280 H GLU 36 H GLU 36 13.051 10.274 27.836 281 HA GLU 36 HA GLU 36 13.020 7.502 28.340 282 HB2 GLU 36 HB3 GLU 36 15.016 7.930 29.649 283 HB3 GLU 36 HB2 GLU 36 15.028 8.889 28.172 284 HG2 GLU 36 HG3 GLU 36 14.219 10.855 29.437 285 HG3 GLU 36 HG2 GLU 36 14.232 9.902 30.916 286 H TYR 37 H TYR 37 11.791 10.189 30.137 287 HA TYR 37 HA TYR 37 11.534 8.850 32.667 288 HB2 TYR 37 HB3 TYR 37 10.298 11.370 31.543 289 HB3 TYR 37 HB2 TYR 37 9.999 10.795 33.183 290 HD1 TYR 37 HD1 TYR 37 12.484 12.228 30.882 291 HD2 TYR 37 HD2 TYR 37 11.790 10.758 34.859 292 HE1 TYR 37 HE1 TYR 37 14.610 13.260 31.634 293 HE2 TYR 37 HE2 TYR 37 13.917 11.790 35.610 294 HH TYR 37 HH TYR 37 15.368 13.933 34.622 295 H THR 38 H THR 38 9.627 9.010 29.754 296 HA THR 38 HA THR 38 7.082 8.384 30.772 297 HB THR 38 HB THR 38 8.301 7.640 28.097 298 HG1 THR 38 HG1 THR 38 7.816 9.643 27.478 299 HG21 THR 38 HG21 THR 38 5.424 8.241 28.777 300 HG22 THR 38 HG22 THR 38 6.081 6.605 28.778 301 HG23 THR 38 HG23 THR 38 6.062 7.548 27.287 302 H ASN 39 H ASN 39 6.495 6.628 31.855 303 HA ASN 39 HA ASN 39 6.962 3.978 30.952 304 HB2 ASN 39 HB3 ASN 39 9.222 4.426 31.872 305 HB3 ASN 39 HB2 ASN 39 8.495 4.789 33.437 306 HD21 ASN 39 HD21 ASN 39 9.558 2.220 31.351 307 HD22 ASN 39 HD22 ASN 39 9.065 0.936 32.344 308 H THR 40 H THR 40 4.772 3.675 31.255 309 HA THR 40 HA THR 40 3.863 3.627 34.071 310 HB THR 40 HB THR 40 1.635 4.388 33.325 311 HG1 THR 40 HG1 THR 40 1.914 3.694 31.140 312 HG21 THR 40 HG21 THR 40 3.875 6.265 32.518 313 HG22 THR 40 HG22 THR 40 3.296 6.023 34.166 314 HG23 THR 40 HG23 THR 40 2.233 6.738 32.954 315 H THR 41 H THR 41 2.199 2.126 34.541 316 HA THR 41 HA THR 41 1.965 -0.095 32.594 317 HB THR 41 HB THR 41 1.827 -1.594 34.567 318 HG1 THR 41 HG1 THR 41 2.589 -0.663 36.547 319 HG21 THR 41 HG21 THR 41 4.246 -1.494 35.104 320 HG22 THR 41 HG22 THR 41 4.328 0.103 34.360 321 HG23 THR 41 HG23 THR 41 3.952 -1.310 33.375 322 H THR 42 H THR 42 0.195 2.325 33.784 323 HA THR 42 HA THR 42 -2.255 0.711 34.164 324 HB THR 42 HB THR 42 -1.815 3.572 35.040 325 HG1 THR 42 HG1 THR 42 -0.779 2.763 36.663 326 HG21 THR 42 HG21 THR 42 -3.812 3.240 36.333 327 HG22 THR 42 HG22 THR 42 -3.824 1.516 35.974 328 HG23 THR 42 HG23 THR 42 -4.165 2.683 34.697 329 H GLU 43 H GLU 43 -4.029 1.146 32.940 330 HA GLU 43 HA GLU 43 -3.726 3.136 30.772 331 HB2 GLU 43 HB3 GLU 43 -5.091 0.434 30.783 332 HB3 GLU 43 HB2 GLU 43 -5.325 1.630 29.509 333 HG2 GLU 43 HG3 GLU 43 -2.971 1.602 28.957 334 HG3 GLU 43 HG2 GLU 43 -2.607 0.592 30.351 335 H GLY 44 H GLY 44 -4.701 4.799 31.862 336 HA2 GLY 44 HA3 GLY 44 -7.515 4.400 32.685 337 HA3 GLY 44 HA2 GLY 44 -6.425 5.575 33.396 338 H ILE 45 H ILE 45 -6.000 7.485 32.373 339 HA ILE 45 HA ILE 45 -7.644 8.078 29.987 340 HB ILE 45 HB ILE 45 -7.241 9.843 32.417 341 HG12 ILE 45 HG13 ILE 45 -9.894 8.731 31.466 342 HG13 ILE 45 HG12 ILE 45 -8.857 7.731 32.477 343 HG21 ILE 45 HG21 ILE 45 -7.442 11.038 30.209 344 HG22 ILE 45 HG22 ILE 45 -8.787 11.374 31.305 345 HG23 ILE 45 HG23 ILE 45 -8.999 10.242 29.968 346 HD11 ILE 45 HD11 ILE 45 -9.538 10.554 33.276 347 HD12 ILE 45 HD12 ILE 45 -8.946 9.226 34.280 348 HD13 ILE 45 HD13 ILE 45 -10.600 9.200 33.665 349 H TYR 46 H TYR 46 -6.701 9.139 28.418 350 HA TYR 46 HA TYR 46 -3.875 9.713 28.527 351 HB2 TYR 46 HB3 TYR 46 -5.988 9.889 26.373 352 HB3 TYR 46 HB2 TYR 46 -4.317 10.375 26.096 353 HD1 TYR 46 HD1 TYR 46 -6.548 7.563 26.921 354 HD2 TYR 46 HD2 TYR 46 -2.550 8.760 25.958 355 HE1 TYR 46 HE1 TYR 46 -5.913 5.179 26.631 356 HE2 TYR 46 HE2 TYR 46 -1.901 6.377 25.664 357 HH TYR 46 HH TYR 46 -3.018 4.029 26.748 358 H SER 47 H SER 47 -2.992 11.654 28.942 359 HA SER 47 HA SER 47 -4.722 14.011 28.714 360 HB2 SER 47 HB3 SER 47 -3.390 14.984 30.623 361 HB3 SER 47 HB2 SER 47 -4.490 13.676 31.036 362 HG SER 47 HG SER 47 -2.115 13.681 31.742 363 H CYS 48 H CYS 48 -4.053 15.598 27.544 364 HA CYS 48 HA CYS 48 -1.813 15.545 25.855 365 HB2 CYS 48 HB3 CYS 48 -3.994 16.849 25.620 366 HB3 CYS 48 HB2 CYS 48 -3.361 17.990 26.781 367 H ARG 49 H ARG 49 0.277 16.043 26.266 368 HA ARG 49 HA ARG 49 1.165 16.756 28.863 369 HB2 ARG 49 HB3 ARG 49 3.392 16.982 27.811 370 HB3 ARG 49 HB2 ARG 49 2.592 15.477 27.377 371 HG2 ARG 49 HG3 ARG 49 1.966 17.644 25.473 372 HG3 ARG 49 HG2 ARG 49 3.690 17.363 25.602 373 HD2 ARG 49 HD3 ARG 49 3.318 15.735 24.067 374 HD3 ARG 49 HD2 ARG 49 2.727 14.783 25.420 375 HE ARG 49 HE ARG 49 0.651 16.430 24.363 376 HH11 ARG 49 HH11 ARG 49 2.464 13.511 23.677 377 HH12 ARG 49 HH12 ARG 49 1.190 12.802 22.740 378 HH21 ARG 49 HH21 ARG 49 -0.979 15.471 23.141 379 HH22 ARG 49 HH22 ARG 49 -0.742 13.905 22.441 380 H ALA 50 H ALA 50 0.347 18.638 26.046 381 HA ALA 50 HA ALA 50 1.685 21.044 26.679 382 HB1 ALA 50 HB1 ALA 50 0.954 20.886 24.477 383 HB2 ALA 50 HB2 ALA 50 -0.242 21.977 25.185 384 HB3 ALA 50 HB3 ALA 50 -0.638 20.273 24.954 385 H CYS 51 H CYS 51 -1.675 20.032 27.274 386 HA CYS 51 HA CYS 51 -1.939 22.262 29.203 387 HB2 CYS 51 HB3 CYS 51 -4.479 21.931 28.601 388 HB3 CYS 51 HB2 CYS 51 -3.431 22.892 27.563 389 H GLY 52 H GLY 52 -2.810 18.900 28.531 390 HA2 GLY 52 HA3 GLY 52 -2.789 17.262 30.316 391 HA3 GLY 52 HA2 GLY 52 -3.312 18.523 31.421 392 H THR 53 H THR 53 -4.803 18.357 28.288 393 HA THR 53 HA THR 53 -7.413 17.931 29.457 394 HB THR 53 HB THR 53 -7.672 17.594 26.675 395 HG1 THR 53 HG1 THR 53 -5.466 18.087 26.479 396 HG21 THR 53 HG21 THR 53 -7.642 20.309 27.987 397 HG22 THR 53 HG22 THR 53 -8.903 19.129 28.349 398 HG23 THR 53 HG23 THR 53 -8.694 19.719 26.700 399 H GLU 54 H GLU 54 -8.815 16.153 29.247 400 HA GLU 54 HA GLU 54 -7.516 13.596 29.004 401 HB2 GLU 54 HB3 GLU 54 -10.465 14.220 29.282 402 HB3 GLU 54 HB2 GLU 54 -9.713 12.650 29.515 403 HG2 GLU 54 HG3 GLU 54 -8.311 13.816 31.336 404 HG3 GLU 54 HG2 GLU 54 -9.494 15.111 31.193 405 H LEU 55 H LEU 55 -6.811 14.253 26.778 406 HA LEU 55 HA LEU 55 -8.390 14.580 24.540 407 HB2 LEU 55 HB3 LEU 55 -5.675 13.536 25.149 408 HB3 LEU 55 HB2 LEU 55 -6.317 13.072 23.587 409 HG LEU 55 HG LEU 55 -6.478 15.342 22.858 410 HD11 LEU 55 HD11 LEU 55 -5.762 17.196 24.627 411 HD12 LEU 55 HD12 LEU 55 -6.344 16.011 25.780 412 HD13 LEU 55 HD13 LEU 55 -7.429 16.640 24.549 413 HD21 LEU 55 HD21 LEU 55 -4.196 14.574 22.821 414 HD22 LEU 55 HD22 LEU 55 -3.994 14.962 24.531 415 HD23 LEU 55 HD23 LEU 55 -4.188 16.258 23.351 416 H PHE 56 H PHE 56 -7.313 11.520 25.986 417 HA PHE 56 HA PHE 56 -9.579 10.160 24.711 418 HB2 PHE 56 HB3 PHE 56 -6.686 9.290 24.501 419 HB3 PHE 56 HB2 PHE 56 -8.053 8.252 24.107 420 HD1 PHE 56 HD1 PHE 56 -6.003 11.080 23.045 421 HD2 PHE 56 HD2 PHE 56 -9.580 8.846 22.228 422 HE1 PHE 56 HE1 PHE 56 -6.125 12.099 20.787 423 HE2 PHE 56 HE2 PHE 56 -9.702 9.866 19.971 424 HZ PHE 56 HZ PHE 56 -7.974 11.492 19.250 425 H ARG 57 H ARG 57 -9.864 7.915 25.629 426 HA ARG 57 HA ARG 57 -8.711 7.540 28.274 427 HB2 ARG 57 HB3 ARG 57 -10.905 7.168 29.311 428 HB3 ARG 57 HB2 ARG 57 -10.763 8.813 28.701 429 HG2 ARG 57 HG3 ARG 57 -12.019 8.178 26.678 430 HG3 ARG 57 HG2 ARG 57 -12.154 6.529 27.283 431 HD2 ARG 57 HD3 ARG 57 -13.227 8.986 28.697 432 HD3 ARG 57 HD2 ARG 57 -14.200 7.869 27.747 433 HE ARG 57 HE ARG 57 -12.852 6.342 29.660 434 HH11 ARG 57 HH11 ARG 57 -15.243 8.906 29.619 435 HH12 ARG 57 HH12 ARG 57 -15.981 8.398 31.101 436 HH21 ARG 57 HH21 ARG 57 -13.845 5.716 31.581 437 HH22 ARG 57 HH22 ARG 57 -15.195 6.607 32.201 438 H SER 58 H SER 58 -9.001 5.399 29.079 439 HA SER 58 HA SER 58 -8.423 3.413 27.219 440 HB2 SER 58 HB3 SER 58 -7.750 3.273 29.550 441 HB3 SER 58 HB2 SER 58 -9.431 3.128 30.052 442 HG SER 58 HG SER 58 -7.759 1.294 28.765 443 H THR 59 H THR 59 -11.565 4.456 28.375 444 HA THR 59 HA THR 59 -12.942 2.043 27.865 445 HB THR 59 HB THR 59 -13.700 4.177 29.179 446 HG1 THR 59 HG1 THR 59 -15.317 2.460 27.630 447 HG21 THR 59 HG21 THR 59 -13.799 5.412 26.781 448 HG22 THR 59 HG22 THR 59 -14.903 5.812 28.095 449 HG23 THR 59 HG23 THR 59 -15.419 4.726 26.813 450 H GLU 60 H GLU 60 -12.080 4.670 25.671 451 HA GLU 60 HA GLU 60 -13.464 3.217 23.492 452 HB2 GLU 60 HB3 GLU 60 -13.010 6.101 24.031 453 HB3 GLU 60 HB2 GLU 60 -12.817 5.607 22.349 454 HG2 GLU 60 HG3 GLU 60 -15.094 6.073 22.398 455 HG3 GLU 60 HG2 GLU 60 -15.120 4.357 22.786 456 H LYS 61 H LYS 61 -10.490 3.154 24.736 457 HA LYS 61 HA LYS 61 -9.171 3.206 22.084 458 HB2 LYS 61 HB3 LYS 61 -8.224 4.824 23.694 459 HB3 LYS 61 HB2 LYS 61 -7.871 3.501 24.806 460 HG2 LYS 61 HG3 LYS 61 -6.409 2.460 23.114 461 HG3 LYS 61 HG2 LYS 61 -6.786 3.757 21.989 462 HD2 LYS 61 HD3 LYS 61 -5.779 5.399 23.532 463 HD3 LYS 61 HD2 LYS 61 -5.393 4.091 24.655 464 HE2 LYS 61 HE3 LYS 61 -3.990 3.014 22.942 465 HE3 LYS 61 HE2 LYS 61 -4.389 4.295 21.800 466 HZ1 LYS 61 HZ1 LYS 61 -2.716 4.419 24.213 467 HZ2 LYS 61 HZ2 LYS 61 -3.493 5.824 23.657 468 HZ3 LYS 61 HZ3 LYS 61 -2.395 5.003 22.653 469 H PHE 62 H PHE 62 -8.555 1.371 21.256 470 HA PHE 62 HA PHE 62 -8.767 -1.106 22.770 471 HB2 PHE 62 HB3 PHE 62 -9.578 -0.885 20.398 472 HB3 PHE 62 HB2 PHE 62 -7.900 -0.690 19.894 473 HD1 PHE 62 HD1 PHE 62 -10.301 -3.017 21.521 474 HD2 PHE 62 HD2 PHE 62 -6.426 -2.572 19.723 475 HE1 PHE 62 HE1 PHE 62 -10.024 -5.481 21.508 476 HE2 PHE 62 HE2 PHE 62 -6.149 -5.036 19.711 477 HZ PHE 62 HZ PHE 62 -7.947 -6.491 20.604 478 H ASN 63 H ASN 63 -6.958 -2.696 22.722 479 HA ASN 63 HA ASN 63 -4.612 -1.735 23.854 480 HB2 ASN 63 HB3 ASN 63 -5.395 -4.123 23.858 481 HB3 ASN 63 HB2 ASN 63 -4.830 -4.257 22.194 482 HD21 ASN 63 HD21 ASN 63 -3.819 -5.547 24.797 483 HD22 ASN 63 HD22 ASN 63 -2.159 -5.189 24.814 484 H SER 64 H SER 64 -2.917 -0.665 23.083 485 HA SER 64 HA SER 64 -2.371 -0.754 20.173 486 HB2 SER 64 HB3 SER 64 -3.307 1.400 20.718 487 HB3 SER 64 HB2 SER 64 -2.208 1.586 22.081 488 HG SER 64 HG SER 64 -0.859 2.400 20.706 489 H HIS 65 H HIS 65 -0.390 -1.241 19.565 490 HA HIS 65 HA HIS 65 1.905 -0.764 21.278 491 HB2 HIS 65 HB3 HIS 65 2.704 -3.114 21.136 492 HB3 HIS 65 HB2 HIS 65 1.227 -2.961 22.081 493 HD1 HIS 65 HD1 HIS 65 2.548 -4.328 18.841 494 HD2 HIS 65 HD2 HIS 65 -1.081 -4.144 20.886 495 HE1 HIS 65 HE1 HIS 65 0.973 -5.912 17.648 496 HE2 HIS 65 HE2 HIS 65 -1.245 -5.810 18.883 497 H CYS 66 H CYS 66 3.166 0.318 19.933 498 HA CYS 66 HA CYS 66 4.361 0.937 18.075 499 HB2 CYS 66 HB3 CYS 66 5.087 -1.548 18.419 500 HB3 CYS 66 HB2 CYS 66 4.098 -1.852 16.991 501 HG CYS 66 HG CYS 66 6.478 0.185 16.949 502 H GLY 67 H GLY 67 4.223 1.251 15.716 503 HA2 GLY 67 HA3 GLY 67 3.079 1.696 13.762 504 HA3 GLY 67 HA2 GLY 67 1.936 0.437 14.220 505 H TRP 68 H TRP 68 0.253 1.807 13.387 506 HA TRP 68 HA TRP 68 -0.577 3.901 15.293 507 HB2 TRP 68 HB3 TRP 68 -0.886 3.982 12.276 508 HB3 TRP 68 HB2 TRP 68 -1.533 5.174 13.402 509 HD1 TRP 68 HD1 TRP 68 0.202 6.728 14.680 510 HE1 TRP 68 HE1 TRP 68 2.618 7.433 14.113 511 HE3 TRP 68 HE3 TRP 68 1.335 3.193 11.188 512 HZ2 TRP 68 HZ2 TRP 68 4.750 6.596 12.395 513 HZ3 TRP 68 HZ3 TRP 68 3.561 3.165 10.100 514 HH2 TRP 68 HH2 TRP 68 5.269 4.860 10.699 515 HA PRO 69 HA PRO 69 -3.902 0.624 14.796 516 HB2 PRO 69 HB3 PRO 69 -4.562 0.423 17.436 517 HB3 PRO 69 HB2 PRO 69 -3.245 -0.508 16.696 518 HG2 PRO 69 HG3 PRO 69 -3.114 1.997 18.311 519 HG3 PRO 69 HG2 PRO 69 -2.088 0.553 18.382 520 HD2 PRO 69 HD3 PRO 69 -1.304 2.818 17.098 521 HD3 PRO 69 HD2 PRO 69 -0.811 1.199 16.554 522 H SER 70 H SER 70 -6.164 0.886 14.912 523 HA SER 70 HA SER 70 -7.095 3.593 14.898 524 HB2 SER 70 HB3 SER 70 -9.226 2.648 14.299 525 HB3 SER 70 HB2 SER 70 -7.977 1.758 13.438 526 HG SER 70 HG SER 70 -9.708 0.555 14.651 527 H PHE 71 H PHE 71 -8.869 4.424 16.176 528 HA PHE 71 HA PHE 71 -9.230 3.210 18.853 529 HB2 PHE 71 HB3 PHE 71 -8.677 6.163 18.502 530 HB3 PHE 71 HB2 PHE 71 -8.773 5.255 19.999 531 HD1 PHE 71 HD1 PHE 71 -6.513 6.811 17.904 532 HD2 PHE 71 HD2 PHE 71 -7.061 3.045 19.903 533 HE1 PHE 71 HE1 PHE 71 -4.074 6.393 17.791 534 HE2 PHE 71 HE2 PHE 71 -4.619 2.633 19.791 535 HZ PHE 71 HZ PHE 71 -3.126 4.307 18.735 536 H PHE 72 H PHE 72 -11.160 4.017 19.941 537 HA PHE 72 HA PHE 72 -13.262 4.643 18.024 538 HB2 PHE 72 HB3 PHE 72 -13.621 4.204 20.998 539 HB3 PHE 72 HB2 PHE 72 -14.835 4.076 19.740 540 HD1 PHE 72 HD1 PHE 72 -12.836 2.165 21.849 541 HD2 PHE 72 HD2 PHE 72 -14.041 2.370 17.729 542 HE1 PHE 72 HE1 PHE 72 -12.308 -0.240 21.574 543 HE2 PHE 72 HE2 PHE 72 -13.514 -0.034 17.458 544 HZ PHE 72 HZ PHE 72 -12.649 -1.341 19.379 545 H SER 73 H SER 73 -15.070 6.096 19.479 546 HA SER 73 HA SER 73 -14.354 8.728 19.039 547 HB2 SER 73 HB3 SER 73 -16.667 7.842 19.364 548 HB3 SER 73 HB2 SER 73 -16.355 7.787 21.091 549 HG SER 73 HG SER 73 -16.647 9.860 21.169 550 HA PRO 74 HA PRO 74 -11.758 9.752 22.567 551 HB2 PRO 74 HB3 PRO 74 -11.978 12.477 22.559 552 HB3 PRO 74 HB2 PRO 74 -11.003 11.583 21.373 553 HG2 PRO 74 HG3 PRO 74 -13.756 12.703 21.099 554 HG3 PRO 74 HG2 PRO 74 -12.403 12.750 19.952 555 HD2 PRO 74 HD3 PRO 74 -14.439 10.979 19.706 556 HD3 PRO 74 HD2 PRO 74 -12.775 10.581 19.219 557 H LEU 75 H LEU 75 -12.019 11.673 24.436 558 HA LEU 75 HA LEU 75 -13.652 10.832 26.424 559 HB2 LEU 75 HB3 LEU 75 -12.254 13.298 25.761 560 HB3 LEU 75 HB2 LEU 75 -13.738 13.667 26.620 561 HG LEU 75 HG LEU 75 -11.700 13.411 28.040 562 HD11 LEU 75 HD11 LEU 75 -12.826 12.601 29.848 563 HD12 LEU 75 HD12 LEU 75 -13.627 11.320 28.923 564 HD13 LEU 75 HD13 LEU 75 -14.157 12.995 28.758 565 HD21 LEU 75 HD21 LEU 75 -11.959 10.441 27.557 566 HD22 LEU 75 HD22 LEU 75 -10.759 11.264 28.545 567 HD23 LEU 75 HD23 LEU 75 -10.730 11.450 26.796 568 H ALA 76 H ALA 76 -14.574 13.607 24.379 569 HA ALA 76 HA ALA 76 -17.239 12.672 23.923 570 HB1 ALA 76 HB1 ALA 76 -16.883 14.882 25.961 571 HB2 ALA 76 HB2 ALA 76 -17.527 13.269 26.271 572 HB3 ALA 76 HB3 ALA 76 -18.421 14.395 25.248 573 H GLY 77 H GLY 77 -14.785 14.099 22.704 574 HA2 GLY 77 HA3 GLY 77 -14.502 15.457 20.856 575 HA3 GLY 77 HA2 GLY 77 -16.243 15.713 20.829 576 H ASP 78 H ASP 78 -14.940 16.383 23.892 577 HA ASP 78 HA ASP 78 -15.169 19.271 23.418 578 HB2 ASP 78 HB3 ASP 78 -15.187 17.598 25.928 579 HB3 ASP 78 HB2 ASP 78 -15.166 19.354 25.929 580 H LYS 79 H LYS 79 -12.879 16.800 24.362 581 HA LYS 79 HA LYS 79 -10.866 18.781 25.137 582 HB2 LYS 79 HB3 LYS 79 -10.203 15.855 24.910 583 HB3 LYS 79 HB2 LYS 79 -9.597 17.065 26.041 584 HG2 LYS 79 HG3 LYS 79 -12.427 15.945 26.100 585 HG3 LYS 79 HG2 LYS 79 -11.116 15.383 27.124 586 HD2 LYS 79 HD3 LYS 79 -10.920 17.570 28.170 587 HD3 LYS 79 HD2 LYS 79 -12.134 18.233 27.071 588 HE2 LYS 79 HE3 LYS 79 -13.820 16.701 27.961 589 HE3 LYS 79 HE2 LYS 79 -12.624 15.964 29.021 590 HZ1 LYS 79 HZ1 LYS 79 -12.294 18.353 29.865 591 HZ2 LYS 79 HZ2 LYS 79 -13.678 17.506 30.371 592 HZ3 LYS 79 HZ3 LYS 79 -13.793 18.672 29.140 593 H VAL 80 H VAL 80 -11.845 16.971 22.391 594 HA VAL 80 HA VAL 80 -9.484 17.919 20.900 595 HB VAL 80 HB VAL 80 -9.418 15.783 19.639 596 HG11 VAL 80 HG11 VAL 80 -7.891 16.057 21.500 597 HG12 VAL 80 HG12 VAL 80 -8.484 14.394 21.500 598 HG13 VAL 80 HG13 VAL 80 -9.137 15.564 22.647 599 HG21 VAL 80 HG21 VAL 80 -11.434 14.873 21.724 600 HG22 VAL 80 HG22 VAL 80 -10.619 13.814 20.575 601 HG23 VAL 80 HG23 VAL 80 -11.739 15.046 19.995 602 H ILE 81 H ILE 81 -9.854 18.417 18.718 603 HA ILE 81 HA ILE 81 -12.693 18.373 17.869 604 HB ILE 81 HB ILE 81 -10.726 20.618 18.007 605 HG12 ILE 81 HG13 ILE 81 -12.793 21.941 18.326 606 HG13 ILE 81 HG12 ILE 81 -13.762 20.511 18.003 607 HG21 ILE 81 HG21 ILE 81 -12.695 20.416 15.705 608 HG22 ILE 81 HG22 ILE 81 -10.934 20.427 15.571 609 HG23 ILE 81 HG23 ILE 81 -11.786 21.864 16.147 610 HD11 ILE 81 HD11 ILE 81 -13.068 21.300 20.505 611 HD12 ILE 81 HD12 ILE 81 -11.715 20.227 20.144 612 HD13 ILE 81 HD13 ILE 81 -13.366 19.616 20.071 613 H GLU 82 H GLU 82 -13.141 17.852 15.805 614 HA GLU 82 HA GLU 82 -10.898 16.796 14.179 615 HB2 GLU 82 HB3 GLU 82 -13.768 15.974 13.759 616 HB3 GLU 82 HB2 GLU 82 -12.299 15.106 13.342 617 HG2 GLU 82 HG3 GLU 82 -11.871 14.902 15.870 618 HG3 GLU 82 HG2 GLU 82 -13.526 15.459 16.088 619 H ARG 83 H ARG 83 -10.454 17.902 12.369 620 HA ARG 83 HA ARG 83 -12.627 19.343 10.970 621 HB2 ARG 83 HB3 ARG 83 -9.875 20.472 11.552 622 HB3 ARG 83 HB2 ARG 83 -11.121 21.249 10.578 623 HG2 ARG 83 HG3 ARG 83 -12.617 21.292 12.558 624 HG3 ARG 83 HG2 ARG 83 -11.332 20.570 13.525 625 HD2 ARG 83 HD3 ARG 83 -11.138 23.215 12.059 626 HD3 ARG 83 HD2 ARG 83 -11.393 23.031 13.790 627 HE ARG 83 HE ARG 83 -9.084 21.616 13.248 628 HH11 ARG 83 HH11 ARG 83 -10.144 24.932 12.815 629 HH12 ARG 83 HH12 ARG 83 -8.546 25.583 12.971 630 HH21 ARG 83 HH21 ARG 83 -7.028 22.508 13.445 631 HH22 ARG 83 HH22 ARG 83 -6.798 24.220 13.325 632 H THR 84 H THR 84 -12.222 19.680 8.695 633 HA THR 84 HA THR 84 -10.446 17.651 7.571 634 HB THR 84 HB THR 84 -12.857 17.903 6.840 635 HG1 THR 84 HG1 THR 84 -11.149 16.937 5.587 636 HG21 THR 84 HG21 THR 84 -12.977 20.358 6.779 637 HG22 THR 84 HG22 THR 84 -13.351 19.681 5.193 638 HG23 THR 84 HG23 THR 84 -11.764 20.389 5.498 639 H ASP 85 H ASP 85 -8.750 18.113 6.157 640 HA ASP 85 HA ASP 85 -7.994 20.956 5.863 641 HB2 ASP 85 HB3 ASP 85 -6.715 19.872 7.715 642 HB3 ASP 85 HB2 ASP 85 -6.073 18.723 6.544 643 H THR 86 H THR 86 -7.856 21.429 3.790 644 HA THR 86 HA THR 86 -7.680 19.460 1.731 645 HB THR 86 HB THR 86 -7.356 22.445 1.388 646 HG1 THR 86 HG1 THR 86 -9.338 22.664 1.981 647 HG21 THR 86 HG21 THR 86 -8.269 22.036 -0.800 648 HG22 THR 86 HG22 THR 86 -8.661 20.368 -0.383 649 HG23 THR 86 HG23 THR 86 -6.977 20.863 -0.544 650 H SER 87 H SER 87 -5.666 18.607 2.694 651 HA SER 87 HA SER 87 -3.196 20.042 2.264 652 HB2 SER 87 HB3 SER 87 -3.751 17.143 2.932 653 HB3 SER 87 HB2 SER 87 -2.141 17.853 2.847 654 HG SER 87 HG SER 87 -2.560 19.039 4.605 655 H HIS 88 H HIS 88 -1.986 20.072 0.478 656 HA HIS 88 HA HIS 88 -1.255 19.711 -1.653 657 HB2 HIS 88 HB3 HIS 88 -2.233 16.890 -1.128 658 HB3 HIS 88 HB2 HIS 88 -1.206 17.374 -2.478 659 HD1 HIS 88 HD1 HIS 88 1.130 18.615 -1.681 660 HD2 HIS 88 HD2 HIS 88 -0.797 16.227 1.142 661 HE1 HIS 88 HE1 HIS 88 2.844 18.098 0.110 662 HE2 HIS 88 HE2 HIS 88 1.684 16.644 1.839 663 H GLY 89 H GLY 89 -3.992 17.419 -1.891 664 HA2 GLY 89 HA3 GLY 89 -5.366 19.325 -3.686 665 HA3 GLY 89 HA2 GLY 89 -5.093 17.661 -4.189 666 H MET 90 H MET 90 -5.749 16.105 -2.178 667 HA MET 90 HA MET 90 -8.605 16.477 -1.894 668 HB2 MET 90 HB3 MET 90 -8.575 14.213 -0.919 669 HB3 MET 90 HB2 MET 90 -7.740 14.253 -2.468 670 HG2 MET 90 HG3 MET 90 -5.565 14.416 -1.268 671 HG3 MET 90 HG2 MET 90 -6.423 14.315 0.269 672 HE1 MET 90 HE1 MET 90 -6.988 12.225 -3.226 673 HE2 MET 90 HE2 MET 90 -5.632 11.154 -2.882 674 HE3 MET 90 HE3 MET 90 -5.379 12.897 -2.931 675 H VAL 91 H VAL 91 -9.477 15.733 0.385 676 HA VAL 91 HA VAL 91 -8.049 17.368 2.385 677 HB VAL 91 HB VAL 91 -10.234 17.754 3.453 678 HG11 VAL 91 HG11 VAL 91 -11.267 19.032 1.388 679 HG12 VAL 91 HG12 VAL 91 -9.761 18.556 0.601 680 HG13 VAL 91 HG13 VAL 91 -9.724 19.531 2.068 681 HG21 VAL 91 HG21 VAL 91 -11.228 15.581 2.477 682 HG22 VAL 91 HG22 VAL 91 -11.531 16.523 1.017 683 HG23 VAL 91 HG23 VAL 91 -12.284 16.991 2.542 684 H ARG 92 H ARG 92 -8.020 16.689 4.551 685 HA ARG 92 HA ARG 92 -8.793 13.902 5.104 686 HB2 ARG 92 HB3 ARG 92 -6.077 15.136 5.634 687 HB3 ARG 92 HB2 ARG 92 -6.620 13.596 6.297 688 HG2 ARG 92 HG3 ARG 92 -6.901 12.683 4.048 689 HG3 ARG 92 HG2 ARG 92 -6.473 14.240 3.338 690 HD2 ARG 92 HD3 ARG 92 -4.521 12.788 3.288 691 HD3 ARG 92 HD2 ARG 92 -4.243 14.088 4.444 692 HE ARG 92 HE ARG 92 -5.374 11.819 5.749 693 HH11 ARG 92 HH11 ARG 92 -2.365 12.965 4.362 694 HH12 ARG 92 HH12 ARG 92 -1.383 11.971 5.385 695 HH21 ARG 92 HH21 ARG 92 -4.057 10.549 7.060 696 HH22 ARG 92 HH22 ARG 92 -2.333 10.615 6.899 697 H THR 93 H THR 93 -9.348 13.532 7.299 698 HA THR 93 HA THR 93 -10.033 15.965 8.739 699 HB THR 93 HB THR 93 -10.496 13.109 9.613 700 HG1 THR 93 HG1 THR 93 -12.507 13.359 8.622 701 HG21 THR 93 HG21 THR 93 -10.840 14.605 11.438 702 HG22 THR 93 HG22 THR 93 -12.446 14.281 10.787 703 HG23 THR 93 HG23 THR 93 -11.630 15.796 10.404 704 H GLU 94 H GLU 94 -8.469 16.910 9.814 705 HA GLU 94 HA GLU 94 -6.329 15.408 11.083 706 HB2 GLU 94 HB3 GLU 94 -6.875 18.392 10.993 707 HB3 GLU 94 HB2 GLU 94 -5.418 17.635 11.633 708 HG2 GLU 94 HG3 GLU 94 -4.955 16.666 9.402 709 HG3 GLU 94 HG2 GLU 94 -6.395 17.457 8.767 710 H VAL 95 H VAL 95 -6.146 15.062 13.215 711 HA VAL 95 HA VAL 95 -8.416 15.812 14.921 712 HB VAL 95 HB VAL 95 -6.147 13.843 15.387 713 HG11 VAL 95 HG11 VAL 95 -6.866 14.577 17.537 714 HG12 VAL 95 HG12 VAL 95 -7.743 13.073 17.256 715 HG13 VAL 95 HG13 VAL 95 -8.559 14.624 17.044 716 HG21 VAL 95 HG21 VAL 95 -7.894 13.294 13.608 717 HG22 VAL 95 HG22 VAL 95 -9.082 13.271 14.912 718 HG23 VAL 95 HG23 VAL 95 -7.743 12.122 14.917 719 H ILE 96 H ILE 96 -8.219 17.517 16.193 720 HA ILE 96 HA ILE 96 -5.527 18.364 17.078 721 HB ILE 96 HB ILE 96 -6.323 20.676 17.037 722 HG12 ILE 96 HG13 ILE 96 -8.750 19.761 15.473 723 HG13 ILE 96 HG12 ILE 96 -8.821 19.907 17.227 724 HG21 ILE 96 HG21 ILE 96 -6.443 19.071 14.484 725 HG22 ILE 96 HG22 ILE 96 -5.128 20.072 15.102 726 HG23 ILE 96 HG23 ILE 96 -6.591 20.832 14.477 727 HD11 ILE 96 HD11 ILE 96 -8.292 22.059 15.200 728 HD12 ILE 96 HD12 ILE 96 -7.836 22.259 16.889 729 HD13 ILE 96 HD13 ILE 96 -9.524 22.014 16.456 730 H CYS 97 H CYS 97 -5.489 19.557 19.071 731 HA CYS 97 HA CYS 97 -7.301 18.439 21.059 732 HB2 CYS 97 HB3 CYS 97 -4.867 18.712 21.397 733 HB3 CYS 97 HB2 CYS 97 -5.057 20.446 21.380 734 H ALA 98 H ALA 98 -9.002 19.503 21.933 735 HA ALA 98 HA ALA 98 -10.225 21.627 20.639 736 HB1 ALA 98 HB1 ALA 98 -11.786 21.666 22.466 737 HB2 ALA 98 HB2 ALA 98 -10.626 20.882 23.538 738 HB3 ALA 98 HB3 ALA 98 -11.319 19.989 22.183 739 H ASN 99 H ASN 99 -7.655 21.764 22.948 740 HA ASN 99 HA ASN 99 -8.162 24.635 23.442 741 HB2 ASN 99 HB3 ASN 99 -6.463 24.313 25.281 742 HB3 ASN 99 HB2 ASN 99 -7.970 23.435 25.462 743 HD21 ASN 99 HD21 ASN 99 -7.705 21.311 26.081 744 HD22 ASN 99 HD22 ASN 99 -6.359 20.354 25.696 745 H CYS 100 H CYS 100 -5.766 22.349 22.260 746 HA CYS 100 HA CYS 100 -4.236 24.647 21.177 747 HB2 CYS 100 HB3 CYS 100 -2.129 23.413 21.600 748 HB3 CYS 100 HB2 CYS 100 -2.985 23.848 23.073 749 H GLU 101 H GLU 101 -2.820 24.066 19.325 750 HA GLU 101 HA GLU 101 -4.377 22.559 17.430 751 HB2 GLU 101 HB3 GLU 101 -1.853 24.192 17.214 752 HB3 GLU 101 HB2 GLU 101 -2.478 23.264 15.850 753 HG2 GLU 101 HG3 GLU 101 -4.570 24.468 15.894 754 HG3 GLU 101 HG2 GLU 101 -4.138 25.267 17.402 755 H SER 102 H SER 102 -4.077 20.536 18.719 756 HA SER 102 HA SER 102 -1.551 19.155 18.334 757 HB2 SER 102 HB3 SER 102 -4.151 18.154 19.505 758 HB3 SER 102 HB2 SER 102 -2.606 17.315 19.552 759 HG SER 102 HG SER 102 -3.024 19.922 20.588 760 H HIS 103 H HIS 103 -2.293 19.855 15.937 761 HA HIS 103 HA HIS 103 -3.962 17.927 14.586 762 HB2 HIS 103 HB3 HIS 103 -2.835 18.965 12.485 763 HB3 HIS 103 HB2 HIS 103 -3.947 19.952 13.418 764 HD1 HIS 103 HD1 HIS 103 -2.863 22.203 12.845 765 HD2 HIS 103 HD2 HIS 103 -0.172 19.494 14.523 766 HE1 HIS 103 HE1 HIS 103 -0.760 23.511 13.370 767 HE2 HIS 103 HE2 HIS 103 0.886 21.868 14.385 768 H LEU 104 H LEU 104 -1.487 17.019 16.119 769 HA LEU 104 HA LEU 104 0.369 16.009 14.198 770 HB2 LEU 104 HB3 LEU 104 1.269 14.727 16.106 771 HB3 LEU 104 HB2 LEU 104 1.039 16.430 16.486 772 HG LEU 104 HG LEU 104 -1.365 15.530 17.330 773 HD11 LEU 104 HD11 LEU 104 0.501 13.155 17.533 774 HD12 LEU 104 HD12 LEU 104 -1.099 13.213 16.801 775 HD13 LEU 104 HD13 LEU 104 -0.929 13.339 18.548 776 HD21 LEU 104 HD21 LEU 104 1.050 15.072 19.095 777 HD22 LEU 104 HD22 LEU 104 -0.542 15.690 19.545 778 HD23 LEU 104 HD23 LEU 104 0.561 16.693 18.604 779 H GLY 105 H GLY 105 -2.699 14.938 15.392 780 HA2 GLY 105 HA3 GLY 105 -2.291 12.251 14.244 781 HA3 GLY 105 HA2 GLY 105 -3.473 12.670 15.475 782 H HIS 106 H HIS 106 -4.172 11.273 13.202 783 HA HIS 106 HA HIS 106 -6.017 13.155 11.873 784 HB2 HIS 106 HB3 HIS 106 -4.321 11.045 10.514 785 HB3 HIS 106 HB2 HIS 106 -5.708 11.826 9.753 786 HD1 HIS 106 HD1 HIS 106 -2.332 12.705 11.266 787 HD2 HIS 106 HD2 HIS 106 -5.158 14.326 8.657 788 HE1 HIS 106 HE1 HIS 106 -1.287 14.793 10.286 789 HE2 HIS 106 HE2 HIS 106 -2.996 15.794 8.697 790 H VAL 107 H VAL 107 -7.957 12.068 11.008 791 HA VAL 107 HA VAL 107 -8.444 9.387 12.123 792 HB VAL 107 HB VAL 107 -9.287 11.046 13.730 793 HG11 VAL 107 HG11 VAL 107 -10.908 12.675 13.218 794 HG12 VAL 107 HG12 VAL 107 -11.311 11.920 11.676 795 HG13 VAL 107 HG13 VAL 107 -9.777 12.767 11.870 796 HG21 VAL 107 HG21 VAL 107 -11.390 9.479 12.216 797 HG22 VAL 107 HG22 VAL 107 -11.672 10.226 13.788 798 HG23 VAL 107 HG23 VAL 107 -10.472 8.944 13.625 799 H PHE 108 H PHE 108 -9.818 8.103 10.980 800 HA PHE 108 HA PHE 108 -10.987 9.209 8.495 801 HB2 PHE 108 HB3 PHE 108 -9.527 6.579 8.840 802 HB3 PHE 108 HB2 PHE 108 -10.454 7.022 7.407 803 HD1 PHE 108 HD1 PHE 108 -7.407 7.679 9.365 804 HD2 PHE 108 HD2 PHE 108 -9.700 8.806 5.911 805 HE1 PHE 108 HE1 PHE 108 -5.453 8.919 8.471 806 HE2 PHE 108 HE2 PHE 108 -7.747 10.047 5.018 807 HZ PHE 108 HZ PHE 108 -5.623 10.104 6.298 808 H ALA 109 H ALA 109 -12.990 8.473 7.935 809 HA ALA 109 HA ALA 109 -14.472 7.043 10.014 810 HB1 ALA 109 HB1 ALA 109 -16.461 7.797 8.839 811 HB2 ALA 109 HB2 ALA 109 -15.482 8.370 7.488 812 HB3 ALA 109 HB3 ALA 109 -15.363 9.160 9.061 813 H GLY 110 H GLY 110 -16.083 5.394 9.334 814 HA2 GLY 110 HA3 GLY 110 -16.764 3.522 8.132 815 HA3 GLY 110 HA2 GLY 110 -15.632 3.964 6.858 816 H GLU 111 H GLU 111 -15.180 3.259 10.322 817 HA GLU 111 HA GLU 111 -12.781 1.769 9.879 818 HB2 GLU 111 HB3 GLU 111 -13.288 3.035 11.967 819 HB3 GLU 111 HB2 GLU 111 -14.547 1.859 12.340 820 HG2 GLU 111 HG3 GLU 111 -12.851 0.056 12.357 821 HG3 GLU 111 HG2 GLU 111 -11.595 1.240 12.005 822 H GLY 112 H GLY 112 -16.177 0.902 10.231 823 HA2 GLY 112 HA3 GLY 112 -17.275 -1.082 9.790 824 HA3 GLY 112 HA2 GLY 112 -15.762 -1.712 9.148 825 H TYR 113 H TYR 113 -15.777 -0.434 12.378 826 HA TYR 113 HA TYR 113 -15.252 -3.108 13.446 827 HB2 TYR 113 HB3 TYR 113 -13.811 -0.997 13.896 828 HB3 TYR 113 HB2 TYR 113 -15.090 -0.543 15.018 829 HD1 TYR 113 HD1 TYR 113 -12.679 -3.264 14.181 830 HD2 TYR 113 HD2 TYR 113 -15.225 -1.538 17.181 831 HE1 TYR 113 HE1 TYR 113 -11.705 -4.782 15.883 832 HE2 TYR 113 HE2 TYR 113 -14.251 -3.059 18.881 833 HH TYR 113 HH TYR 113 -11.428 -4.918 18.281 834 H ASP 114 H ASP 114 -18.015 -1.779 12.799 835 HA ASP 114 HA ASP 114 -20.135 -1.890 13.632 836 HB2 ASP 114 HB3 ASP 114 -19.260 -4.267 14.109 837 HB3 ASP 114 HB2 ASP 114 -19.091 -3.732 15.779 838 H THR 115 H THR 115 -18.771 0.316 14.373 839 HA THR 115 HA THR 115 -19.537 0.753 17.182 840 HB THR 115 HB THR 115 -17.841 2.804 16.758 841 HG1 THR 115 HG1 THR 115 -16.075 1.959 15.545 842 HG21 THR 115 HG21 THR 115 -17.302 -0.009 17.673 843 HG22 THR 115 HG22 THR 115 -17.417 1.477 18.621 844 HG23 THR 115 HG23 THR 115 -15.997 1.177 17.620 845 HA PRO 116 HA PRO 116 -22.413 3.821 15.812 846 HB2 PRO 116 HB3 PRO 116 -22.232 5.719 17.787 847 HB3 PRO 116 HB2 PRO 116 -23.054 4.161 17.991 848 HG2 PRO 116 HG3 PRO 116 -20.311 4.973 18.842 849 HG3 PRO 116 HG2 PRO 116 -21.530 4.024 19.714 850 HD2 PRO 116 HD3 PRO 116 -19.430 2.871 18.454 851 HD3 PRO 116 HD2 PRO 116 -21.010 2.068 18.563 852 H THR 117 H THR 117 -19.108 4.798 16.421 853 HA THR 117 HA THR 117 -19.479 7.317 14.935 854 HB THR 117 HB THR 117 -17.242 7.906 15.733 855 HG1 THR 117 HG1 THR 117 -16.291 6.379 17.251 856 HG21 THR 117 HG21 THR 117 -19.481 7.811 17.305 857 HG22 THR 117 HG22 THR 117 -17.936 8.476 17.831 858 HG23 THR 117 HG23 THR 117 -18.364 6.818 18.247 859 H ASP 118 H ASP 118 -17.940 4.180 14.714 860 HA ASP 118 HA ASP 118 -16.713 3.154 13.062 861 HB2 ASP 118 HB3 ASP 118 -18.274 5.089 11.330 862 HB3 ASP 118 HB2 ASP 118 -17.433 3.652 10.756 863 H LEU 119 H LEU 119 -15.396 5.271 14.414 864 HA LEU 119 HA LEU 119 -13.783 6.556 12.298 865 HB2 LEU 119 HB3 LEU 119 -14.158 7.219 15.225 866 HB3 LEU 119 HB2 LEU 119 -12.941 7.986 14.208 867 HG LEU 119 HG LEU 119 -15.884 7.957 13.488 868 HD11 LEU 119 HD11 LEU 119 -15.372 9.106 15.704 869 HD12 LEU 119 HD12 LEU 119 -16.090 10.141 14.470 870 HD13 LEU 119 HD13 LEU 119 -14.359 10.227 14.794 871 HD21 LEU 119 HD21 LEU 119 -15.125 9.963 12.130 872 HD22 LEU 119 HD22 LEU 119 -14.433 8.430 11.603 873 HD23 LEU 119 HD23 LEU 119 -13.466 9.550 12.562 874 H ARG 120 H ARG 120 -11.608 6.275 12.184 875 HA ARG 120 HA ARG 120 -10.382 4.365 14.076 876 HB2 ARG 120 HB3 ARG 120 -8.980 3.550 12.141 877 HB3 ARG 120 HB2 ARG 120 -10.687 3.130 12.038 878 HG2 ARG 120 HG3 ARG 120 -11.109 4.783 10.383 879 HG3 ARG 120 HG2 ARG 120 -9.585 5.606 10.694 880 HD2 ARG 120 HD3 ARG 120 -9.362 4.337 8.642 881 HD3 ARG 120 HD2 ARG 120 -8.379 3.567 9.883 882 HE ARG 120 HE ARG 120 -10.957 2.397 9.870 883 HH11 ARG 120 HH11 ARG 120 -8.045 2.523 7.923 884 HH12 ARG 120 HH12 ARG 120 -8.308 0.961 7.222 885 HH21 ARG 120 HH21 ARG 120 -11.261 0.373 8.932 886 HH22 ARG 120 HH22 ARG 120 -10.115 -0.245 7.790 887 H TYR 121 H TYR 121 -9.895 6.535 15.088 888 HA TYR 121 HA TYR 121 -8.218 8.475 14.042 889 HB2 TYR 121 HB3 TYR 121 -8.261 7.370 16.863 890 HB3 TYR 121 HB2 TYR 121 -7.513 8.887 16.384 891 HD1 TYR 121 HD1 TYR 121 -10.720 7.100 16.810 892 HD2 TYR 121 HD2 TYR 121 -8.846 10.848 15.889 893 HE1 TYR 121 HE1 TYR 121 -12.892 8.251 17.104 894 HE2 TYR 121 HE2 TYR 121 -11.021 12.004 16.174 895 HH TYR 121 HH TYR 121 -13.794 10.397 17.513 896 H CYS 122 H CYS 122 -6.246 8.312 13.189 897 HA CYS 122 HA CYS 122 -4.464 6.117 14.049 898 HB2 CYS 122 HB3 CYS 122 -4.394 7.825 11.538 899 HB3 CYS 122 HB2 CYS 122 -3.258 6.534 11.928 900 HG CYS 122 HG CYS 122 -5.795 6.040 10.550 901 H ILE 123 H ILE 123 -3.747 7.133 15.915 902 HA ILE 123 HA ILE 123 -1.945 9.431 15.461 903 HB ILE 123 HB ILE 123 -3.731 9.213 17.902 904 HG12 ILE 123 HG13 ILE 123 -4.158 10.826 15.346 905 HG13 ILE 123 HG12 ILE 123 -5.143 9.486 15.878 906 HG21 ILE 123 HG21 ILE 123 -1.946 11.343 16.696 907 HG22 ILE 123 HG22 ILE 123 -1.724 10.519 18.237 908 HG23 ILE 123 HG23 ILE 123 -3.053 11.659 18.030 909 HD11 ILE 123 HD11 ILE 123 -5.018 12.278 16.970 910 HD12 ILE 123 HD12 ILE 123 -5.451 10.952 18.056 911 HD13 ILE 123 HD13 ILE 123 -6.429 11.266 16.622 912 H ASN 124 H ASN 124 -0.171 9.563 16.915 913 HA ASN 124 HA ASN 124 0.350 7.060 18.410 914 HB2 ASN 124 HB3 ASN 124 1.747 7.917 16.233 915 HB3 ASN 124 HB2 ASN 124 2.661 8.687 17.524 916 HD21 ASN 124 HD21 ASN 124 3.479 6.374 15.796 917 HD22 ASN 124 HD22 ASN 124 3.821 5.105 16.871 918 H SER 125 H SER 125 1.765 7.313 20.285 919 HA SER 125 HA SER 125 1.105 9.776 21.710 920 HB2 SER 125 HB3 SER 125 0.617 7.688 22.850 921 HB3 SER 125 HB2 SER 125 2.285 7.158 22.659 922 HG SER 125 HG SER 125 1.633 8.190 24.731 923 H VAL 126 H VAL 126 2.519 11.291 20.905 924 HA VAL 126 HA VAL 126 5.374 10.824 20.850 925 HB VAL 126 HB VAL 126 4.184 12.355 19.235 926 HG11 VAL 126 HG11 VAL 126 4.319 14.551 21.289 927 HG12 VAL 126 HG12 VAL 126 2.901 13.494 21.264 928 HG13 VAL 126 HG13 VAL 126 3.328 14.425 19.830 929 HG21 VAL 126 HG21 VAL 126 6.053 13.819 19.052 930 HG22 VAL 126 HG22 VAL 126 6.680 12.348 19.797 931 HG23 VAL 126 HG23 VAL 126 6.357 13.772 20.789 932 H CYS 127 H CYS 127 4.704 10.111 23.289 933 HA CYS 127 HA CYS 127 5.340 10.342 25.470 934 HB2 CYS 127 HB3 CYS 127 7.298 11.671 24.494 935 HB3 CYS 127 HB2 CYS 127 6.372 13.119 24.881 936 HG CYS 127 HG CYS 127 8.029 12.175 26.886 937 H LEU 128 H LEU 128 2.878 10.481 25.162 938 HA LEU 128 HA LEU 128 1.636 12.956 26.114 939 HB2 LEU 128 HB3 LEU 128 0.593 11.571 24.332 940 HB3 LEU 128 HB2 LEU 128 0.446 10.238 25.474 941 HG LEU 128 HG LEU 128 -0.686 12.908 26.290 942 HD11 LEU 128 HD11 LEU 128 -2.865 12.217 25.193 943 HD12 LEU 128 HD12 LEU 128 -1.918 11.093 24.215 944 HD13 LEU 128 HD13 LEU 128 -1.614 12.827 24.109 945 HD21 LEU 128 HD21 LEU 128 -1.616 11.656 27.870 946 HD22 LEU 128 HD22 LEU 128 -0.707 10.270 27.319 947 HD23 LEU 128 HD23 LEU 128 -2.345 10.548 26.730 948 H THR 129 H THR 129 0.342 12.967 28.097 949 HA THR 129 HA THR 129 1.713 11.476 30.209 950 HB THR 129 HB THR 129 -0.374 13.659 30.369 951 HG1 THR 129 HG1 THR 129 1.266 14.836 29.871 952 HG21 THR 129 HG21 THR 129 0.233 13.864 32.701 953 HG22 THR 129 HG22 THR 129 1.505 12.656 32.524 954 HG23 THR 129 HG23 THR 129 -0.188 12.176 32.408 955 H LEU 130 H LEU 130 1.014 9.651 31.000 956 HA LEU 130 HA LEU 130 -1.706 8.722 30.497 957 HB2 LEU 130 HB3 LEU 130 0.021 7.124 30.045 958 HB3 LEU 130 HB2 LEU 130 0.792 7.416 31.587 959 HG LEU 130 HG LEU 130 -0.524 5.221 31.295 960 HD11 LEU 130 HD11 LEU 130 -1.514 6.695 33.711 961 HD12 LEU 130 HD12 LEU 130 0.220 6.453 33.493 962 HD13 LEU 130 HD13 LEU 130 -0.862 5.064 33.573 963 HD21 LEU 130 HD21 LEU 130 -2.621 6.793 30.482 964 HD22 LEU 130 HD22 LEU 130 -3.034 6.547 32.180 965 HD23 LEU 130 HD23 LEU 130 -2.795 5.160 31.122 966 H ILE 131 H ILE 131 -3.276 8.679 31.932 967 HA ILE 131 HA ILE 131 -2.701 9.519 34.706 968 HB ILE 131 HB ILE 131 -5.337 9.512 33.204 969 HG12 ILE 131 HG13 ILE 131 -3.807 11.165 32.205 970 HG13 ILE 131 HG12 ILE 131 -5.097 11.974 33.081 971 HG21 ILE 131 HG21 ILE 131 -5.973 11.087 35.125 972 HG22 ILE 131 HG22 ILE 131 -4.520 10.506 35.937 973 HG23 ILE 131 HG23 ILE 131 -5.811 9.378 35.525 974 HD11 ILE 131 HD11 ILE 131 -2.292 11.507 34.155 975 HD12 ILE 131 HD12 ILE 131 -3.583 12.379 34.980 976 HD13 ILE 131 HD13 ILE 131 -2.886 13.032 33.498 977 HA PRO 132 HA PRO 132 -3.653 5.124 35.451 978 HB2 PRO 132 HB3 PRO 132 -2.986 5.101 38.112 979 HB3 PRO 132 HB2 PRO 132 -1.797 4.962 36.804 980 HG2 PRO 132 HG3 PRO 132 -2.500 7.313 38.470 981 HG3 PRO 132 HG2 PRO 132 -0.939 6.817 37.810 982 HD2 PRO 132 HD3 PRO 132 -2.497 8.808 36.767 983 HD3 PRO 132 HD2 PRO 132 -1.285 7.895 35.842 984 H ALA 133 H ALA 133 -5.876 5.394 35.155 985 HA ALA 133 HA ALA 133 -7.648 6.745 36.820 986 HB1 ALA 133 HB1 ALA 133 -7.883 4.520 34.828 987 HB2 ALA 133 HB2 ALA 133 -8.535 6.161 34.757 988 HB3 ALA 133 HB3 ALA 133 -9.292 4.956 35.800 989 H GLU 134 H GLU 134 -6.859 3.245 36.801 990 HA GLU 134 HA GLU 134 -6.929 2.912 39.589 991 HB2 GLU 134 HB3 GLU 134 -9.374 3.403 39.268 992 HB3 GLU 134 HB2 GLU 134 -9.471 1.989 38.226 993 HG2 GLU 134 HG3 GLU 134 -8.750 0.551 40.087 994 HG3 GLU 134 HG2 GLU 134 -8.588 1.962 41.130 995 H GLU 135 H GLU 135 -8.330 1.006 36.900 996 HA GLU 135 HA GLU 135 -7.864 -1.083 36.101 997 HB2 GLU 135 HB3 GLU 135 -5.048 -0.245 36.841 998 HB3 GLU 135 HB2 GLU 135 -5.450 -1.639 35.841 999 HG2 GLU 135 HG3 GLU 135 -6.202 1.231 35.207 1000 HG3 GLU 135 HG2 GLU 135 -4.866 0.352 34.475 1001 H SER 136 H SER 136 -8.949 -1.172 38.517 1002 HA SER 136 HA SER 136 -7.477 -3.324 39.922 1003 HB2 SER 136 HB3 SER 136 -9.285 -1.217 41.129 1004 HB3 SER 136 HB2 SER 136 -8.559 -2.561 42.007 1005 HG SER 136 HG SER 136 -7.499 -0.255 41.681 Start of MODEL 15 1 H MET 1 H1 MET 1 -5.643 27.596 32.404 2 HA MET 1 HA MET 1 -7.306 26.600 31.096 3 HB2 MET 1 HB3 MET 1 -9.709 27.065 31.498 4 HB3 MET 1 HB2 MET 1 -8.955 26.278 32.882 5 HG2 MET 1 HG3 MET 1 -8.693 28.490 33.981 6 HG3 MET 1 HG2 MET 1 -9.492 29.254 32.606 7 HE1 MET 1 HE1 MET 1 -10.244 29.867 35.181 8 HE2 MET 1 HE2 MET 1 -11.836 29.349 35.728 9 HE3 MET 1 HE3 MET 1 -11.682 30.271 34.234 10 H THR 2 H THR 2 -5.695 29.069 31.183 11 HA THR 2 HA THR 2 -7.280 31.159 29.958 12 HB THR 2 HB THR 2 -5.129 32.331 29.706 13 HG1 THR 2 HG1 THR 2 -3.251 31.304 30.359 14 HG21 THR 2 HG21 THR 2 -5.347 31.005 32.423 15 HG22 THR 2 HG22 THR 2 -6.348 32.355 31.892 16 HG23 THR 2 HG23 THR 2 -4.606 32.566 32.067 17 H ASN 3 H ASN 3 -6.564 32.093 27.834 18 HA ASN 3 HA ASN 3 -6.823 30.160 25.772 19 HB2 ASN 3 HB3 ASN 3 -7.502 32.615 25.697 20 HB3 ASN 3 HB2 ASN 3 -5.801 32.986 25.453 21 HD21 ASN 3 HD21 ASN 3 -6.238 33.801 23.287 22 HD22 ASN 3 HD22 ASN 3 -6.604 32.746 22.011 23 H PHE 4 H PHE 4 -5.307 28.835 25.001 24 HA PHE 4 HA PHE 4 -2.517 29.199 25.661 25 HB2 PHE 4 HB3 PHE 4 -3.964 27.106 24.030 26 HB3 PHE 4 HB2 PHE 4 -2.239 27.063 24.389 27 HD1 PHE 4 HD1 PHE 4 -5.635 26.851 25.828 28 HD2 PHE 4 HD2 PHE 4 -1.425 26.564 26.623 29 HE1 PHE 4 HE1 PHE 4 -6.121 25.818 28.030 30 HE2 PHE 4 HE2 PHE 4 -1.909 25.536 28.825 31 HZ PHE 4 HZ PHE 4 -4.257 25.162 29.529 32 H LYS 5 H LYS 5 -4.508 30.185 23.074 33 HA LYS 5 HA LYS 5 -2.732 29.994 20.879 34 HB2 LYS 5 HB3 LYS 5 -4.925 32.038 21.335 35 HB3 LYS 5 HB2 LYS 5 -4.204 31.607 19.787 36 HG2 LYS 5 HG3 LYS 5 -5.663 29.633 21.566 37 HG3 LYS 5 HG2 LYS 5 -6.420 30.487 20.228 38 HD2 LYS 5 HD3 LYS 5 -4.979 29.414 18.620 39 HD3 LYS 5 HD2 LYS 5 -3.969 28.732 19.895 40 HE2 LYS 5 HE3 LYS 5 -5.864 27.433 20.727 41 HE3 LYS 5 HE2 LYS 5 -6.890 28.096 19.452 42 HZ1 LYS 5 HZ1 LYS 5 -5.659 25.814 19.157 43 HZ2 LYS 5 HZ2 LYS 5 -4.372 26.815 18.681 44 HZ3 LYS 5 HZ3 LYS 5 -5.853 26.877 17.850 45 H LEU 6 H LEU 6 -3.093 32.329 23.456 46 HA LEU 6 HA LEU 6 -1.496 34.377 22.198 47 HB2 LEU 6 HB3 LEU 6 -2.462 34.132 25.058 48 HB3 LEU 6 HB2 LEU 6 -1.788 35.577 24.316 49 HG LEU 6 HG LEU 6 -4.327 34.174 23.405 50 HD11 LEU 6 HD11 LEU 6 -5.543 35.939 24.459 51 HD12 LEU 6 HD12 LEU 6 -4.071 36.855 24.781 52 HD13 LEU 6 HD13 LEU 6 -4.388 35.358 25.658 53 HD21 LEU 6 HD21 LEU 6 -4.624 36.411 22.165 54 HD22 LEU 6 HD22 LEU 6 -3.416 35.306 21.512 55 HD23 LEU 6 HD23 LEU 6 -2.910 36.691 22.484 56 H ILE 7 H ILE 7 -0.685 31.500 23.779 57 HA ILE 7 HA ILE 7 1.527 32.306 25.350 58 HB ILE 7 HB ILE 7 1.021 29.652 23.971 59 HG12 ILE 7 HG13 ILE 7 0.503 30.480 26.845 60 HG13 ILE 7 HG12 ILE 7 -0.739 30.480 25.597 61 HG21 ILE 7 HG21 ILE 7 2.546 28.807 25.832 62 HG22 ILE 7 HG22 ILE 7 2.956 30.490 26.161 63 HG23 ILE 7 HG23 ILE 7 3.356 29.774 24.600 64 HD11 ILE 7 HD11 ILE 7 -0.506 28.099 25.269 65 HD12 ILE 7 HD12 ILE 7 -0.681 28.382 27.002 66 HD13 ILE 7 HD13 ILE 7 0.911 28.047 26.318 67 H THR 8 H THR 8 3.660 32.483 24.914 68 HA THR 8 HA THR 8 4.410 33.113 22.192 69 HB THR 8 HB THR 8 6.545 33.801 23.218 70 HG1 THR 8 HG1 THR 8 5.319 32.951 25.617 71 HG21 THR 8 HG21 THR 8 5.645 35.632 24.611 72 HG22 THR 8 HG22 THR 8 4.095 34.794 24.696 73 HG23 THR 8 HG23 THR 8 4.684 35.406 23.150 74 H ASP 9 H ASP 9 6.475 32.277 21.316 75 HA ASP 9 HA ASP 9 6.431 29.472 21.141 76 HB2 ASP 9 HB3 ASP 9 8.496 31.517 20.322 77 HB3 ASP 9 HB2 ASP 9 8.678 29.802 19.984 78 H THR 10 H THR 10 8.481 31.673 23.014 79 HA THR 10 HA THR 10 10.334 29.764 23.952 80 HB THR 10 HB THR 10 9.389 32.315 25.301 81 HG1 THR 10 HG1 THR 10 11.445 31.725 23.444 82 HG21 THR 10 HG21 THR 10 10.696 30.635 26.722 83 HG22 THR 10 HG22 THR 10 11.427 32.235 26.566 84 HG23 THR 10 HG23 THR 10 12.042 30.887 25.611 85 H GLU 11 H GLU 11 7.260 30.932 25.301 86 HA GLU 11 HA GLU 11 7.317 29.500 27.714 87 HB2 GLU 11 HB3 GLU 11 5.052 30.523 26.019 88 HB3 GLU 11 HB2 GLU 11 4.781 29.739 27.567 89 HG2 GLU 11 HG3 GLU 11 6.208 31.402 28.675 90 HG3 GLU 11 HG2 GLU 11 6.536 32.171 27.128 91 H TRP 12 H TRP 12 6.187 28.549 24.493 92 HA TRP 12 HA TRP 12 5.044 26.071 25.283 93 HB2 TRP 12 HB3 TRP 12 6.034 27.189 22.675 94 HB3 TRP 12 HB2 TRP 12 5.580 25.492 22.789 95 HD1 TRP 12 HD1 TRP 12 4.137 28.815 22.167 96 HE1 TRP 12 HE1 TRP 12 1.560 28.710 22.254 97 HE3 TRP 12 HE3 TRP 12 3.518 24.234 24.329 98 HZ2 TRP 12 HZ2 TRP 12 -0.495 26.912 23.129 99 HZ3 TRP 12 HZ3 TRP 12 1.251 23.350 24.776 100 HH2 TRP 12 HH2 TRP 12 -0.753 24.674 24.176 101 H ARG 13 H ARG 13 8.313 27.012 24.278 102 HA ARG 13 HA ARG 13 9.409 24.408 24.097 103 HB2 ARG 13 HB3 ARG 13 10.691 27.089 24.651 104 HB3 ARG 13 HB2 ARG 13 11.608 25.601 24.412 105 HG2 ARG 13 HG3 ARG 13 10.620 25.316 22.188 106 HG3 ARG 13 HG2 ARG 13 9.634 26.758 22.424 107 HD2 ARG 13 HD3 ARG 13 11.591 27.340 21.096 108 HD3 ARG 13 HD2 ARG 13 11.714 28.102 22.680 109 HE ARG 13 HE ARG 13 13.008 25.562 22.697 110 HH11 ARG 13 HH11 ARG 13 13.427 28.843 21.537 111 HH12 ARG 13 HH12 ARG 13 15.156 28.747 21.546 112 HH21 ARG 13 HH21 ARG 13 15.258 25.481 22.691 113 HH22 ARG 13 HH22 ARG 13 16.182 26.859 22.193 114 H GLN 14 H GLN 14 9.146 26.703 26.764 115 HA GLN 14 HA GLN 14 10.476 24.862 28.607 116 HB2 GLN 14 HB3 GLN 14 10.004 26.713 30.306 117 HB3 GLN 14 HB2 GLN 14 11.116 27.103 29.001 118 HG2 GLN 14 HG3 GLN 14 9.761 28.699 28.153 119 HG3 GLN 14 HG2 GLN 14 8.315 27.730 28.349 120 HE21 GLN 14 HE21 GLN 14 8.389 30.527 28.946 121 HE22 GLN 14 HE22 GLN 14 8.145 30.714 30.613 122 H ARG 15 H ARG 15 7.597 24.624 27.343 123 HA ARG 15 HA ARG 15 6.140 24.117 29.870 124 HB2 ARG 15 HB3 ARG 15 5.359 25.146 27.205 125 HB3 ARG 15 HB2 ARG 15 4.257 23.934 27.851 126 HG2 ARG 15 HG3 ARG 15 3.758 25.229 29.760 127 HG3 ARG 15 HG2 ARG 15 5.159 26.275 29.531 128 HD2 ARG 15 HD3 ARG 15 4.164 27.263 27.554 129 HD3 ARG 15 HD2 ARG 15 2.841 26.107 27.592 130 HE ARG 15 HE ARG 15 1.793 27.436 29.162 131 HH11 ARG 15 HH11 ARG 15 5.213 28.201 29.217 132 HH12 ARG 15 HH12 ARG 15 5.012 29.536 30.301 133 HH21 ARG 15 HH21 ARG 15 1.577 29.195 30.542 134 HH22 ARG 15 HH22 ARG 15 2.969 30.092 31.045 135 H LEU 16 H LEU 16 6.957 22.790 26.702 136 HA LEU 16 HA LEU 16 6.427 20.087 27.726 137 HB2 LEU 16 HB3 LEU 16 5.516 19.650 25.283 138 HB3 LEU 16 HB2 LEU 16 4.456 20.257 26.546 139 HG LEU 16 HG LEU 16 4.906 22.601 25.695 140 HD11 LEU 16 HD11 LEU 16 7.035 22.099 24.542 141 HD12 LEU 16 HD12 LEU 16 5.868 22.862 23.465 142 HD13 LEU 16 HD13 LEU 16 6.157 21.123 23.363 143 HD21 LEU 16 HD21 LEU 16 3.605 22.115 23.439 144 HD22 LEU 16 HD22 LEU 16 2.839 21.825 24.996 145 HD23 LEU 16 HD23 LEU 16 3.519 20.476 24.088 146 H SER 17 H SER 17 7.106 18.436 25.953 147 HA SER 17 HA SER 17 9.900 18.573 25.680 148 HB2 SER 17 HB3 SER 17 7.836 16.823 24.337 149 HB3 SER 17 HB2 SER 17 9.570 16.588 24.143 150 HG SER 17 HG SER 17 9.428 15.527 25.951 151 H SER 18 H SER 18 11.188 18.613 23.763 152 HA SER 18 HA SER 18 10.656 20.762 22.021 153 HB2 SER 18 HB3 SER 18 12.569 18.435 21.742 154 HB3 SER 18 HB2 SER 18 12.563 19.841 20.682 155 HG SER 18 HG SER 18 13.984 19.780 22.675 156 H GLU 19 H GLU 19 10.211 17.270 21.698 157 HA GLU 19 HA GLU 19 9.416 17.247 18.991 158 HB2 GLU 19 HB3 GLU 19 8.386 15.057 19.550 159 HB3 GLU 19 HB2 GLU 19 10.039 15.178 20.130 160 HG2 GLU 19 HG3 GLU 19 9.021 15.895 22.358 161 HG3 GLU 19 HG2 GLU 19 7.470 15.382 21.712 162 H GLU 20 H GLU 20 7.573 17.490 22.010 163 HA GLU 20 HA GLU 20 4.995 17.584 20.921 164 HB2 GLU 20 HB3 GLU 20 6.159 18.760 23.449 165 HB3 GLU 20 HB2 GLU 20 4.438 18.813 23.067 166 HG2 GLU 20 HG3 GLU 20 6.002 16.226 23.072 167 HG3 GLU 20 HG2 GLU 20 5.235 16.854 24.523 168 H TYR 21 H TYR 21 7.392 20.123 21.503 169 HA TYR 21 HA TYR 21 5.786 22.373 21.048 170 HB2 TYR 21 HB3 TYR 21 8.028 22.517 22.017 171 HB3 TYR 21 HB2 TYR 21 8.747 21.926 20.524 172 HD1 TYR 21 HD1 TYR 21 7.296 24.835 22.240 173 HD2 TYR 21 HD2 TYR 21 8.760 23.325 18.492 174 HE1 TYR 21 HE1 TYR 21 7.403 27.146 21.338 175 HE2 TYR 21 HE2 TYR 21 8.878 25.634 17.603 176 HH TYR 21 HH TYR 21 8.977 27.882 18.344 177 H ARG 22 H ARG 22 7.899 20.635 18.689 178 HA ARG 22 HA ARG 22 6.991 22.244 16.494 179 HB2 ARG 22 HB3 ARG 22 8.365 20.837 15.095 180 HB3 ARG 22 HB2 ARG 22 9.247 21.184 16.578 181 HG2 ARG 22 HG3 ARG 22 8.460 18.962 17.480 182 HG3 ARG 22 HG2 ARG 22 7.775 18.621 15.886 183 HD2 ARG 22 HD3 ARG 22 9.989 17.618 16.028 184 HD3 ARG 22 HD2 ARG 22 10.033 18.958 14.886 185 HE ARG 22 HE ARG 22 10.742 19.821 17.521 186 HH11 ARG 22 HH11 ARG 22 12.008 18.135 14.720 187 HH12 ARG 22 HH12 ARG 22 13.652 18.551 15.070 188 HH21 ARG 22 HH21 ARG 22 12.893 20.341 17.934 189 HH22 ARG 22 HH22 ARG 22 14.146 19.790 16.875 190 H VAL 23 H VAL 23 6.240 19.022 17.663 191 HA VAL 23 HA VAL 23 4.617 18.165 15.540 192 HB VAL 23 HB VAL 23 4.785 17.409 18.462 193 HG11 VAL 23 HG11 VAL 23 2.579 16.725 17.874 194 HG12 VAL 23 HG12 VAL 23 3.583 15.286 17.690 195 HG13 VAL 23 HG13 VAL 23 3.090 16.205 16.267 196 HG21 VAL 23 HG21 VAL 23 6.711 16.982 16.889 197 HG22 VAL 23 HG22 VAL 23 5.641 15.953 15.947 198 HG23 VAL 23 HG23 VAL 23 6.036 15.522 17.607 199 H LEU 24 H LEU 24 3.744 19.771 18.596 200 HA LEU 24 HA LEU 24 0.951 19.883 18.021 201 HB2 LEU 24 HB3 LEU 24 2.691 21.367 20.000 202 HB3 LEU 24 HB2 LEU 24 0.939 21.557 19.922 203 HG LEU 24 HG LEU 24 2.277 18.853 20.249 204 HD11 LEU 24 HD11 LEU 24 1.157 20.685 22.394 205 HD12 LEU 24 HD12 LEU 24 2.868 20.353 22.129 206 HD13 LEU 24 HD13 LEU 24 1.789 19.057 22.647 207 HD21 LEU 24 HD21 LEU 24 -0.547 19.918 20.515 208 HD22 LEU 24 HD22 LEU 24 -0.063 18.401 21.276 209 HD23 LEU 24 HD23 LEU 24 0.027 18.579 19.522 210 H ARG 25 H ARG 25 3.667 22.094 17.539 211 HA ARG 25 HA ARG 25 2.160 24.382 16.914 212 HB2 ARG 25 HB3 ARG 25 4.535 24.444 17.546 213 HB3 ARG 25 HB2 ARG 25 4.961 23.678 16.018 214 HG2 ARG 25 HG3 ARG 25 4.013 25.598 14.787 215 HG3 ARG 25 HG2 ARG 25 3.562 26.359 16.314 216 HD2 ARG 25 HD3 ARG 25 5.933 26.427 16.984 217 HD3 ARG 25 HD2 ARG 25 6.388 25.658 15.467 218 HE ARG 25 HE ARG 25 4.890 27.975 14.881 219 HH11 ARG 25 HH11 ARG 25 8.006 27.099 16.228 220 HH12 ARG 25 HH12 ARG 25 8.771 28.563 15.707 221 HH21 ARG 25 HH21 ARG 25 5.926 29.859 14.218 222 HH22 ARG 25 HH22 ARG 25 7.602 30.111 14.578 223 H GLU 26 H GLU 26 3.706 22.028 14.681 224 HA GLU 26 HA GLU 26 1.821 22.950 12.596 225 HB2 GLU 26 HB3 GLU 26 3.657 22.886 10.944 226 HB3 GLU 26 HB2 GLU 26 3.935 24.080 12.209 227 HG2 GLU 26 HG3 GLU 26 5.372 22.426 13.411 228 HG3 GLU 26 HG2 GLU 26 5.151 21.302 12.076 229 H ALA 27 H ALA 27 2.090 20.367 14.296 230 HA ALA 27 HA ALA 27 1.780 18.093 13.944 231 HB1 ALA 27 HB1 ALA 27 0.985 17.656 11.403 232 HB2 ALA 27 HB2 ALA 27 0.680 19.389 11.500 233 HB3 ALA 27 HB3 ALA 27 -0.095 18.292 12.638 234 H GLY 28 H GLY 28 4.339 18.934 13.867 235 HA2 GLY 28 HA3 GLY 28 5.899 18.433 11.617 236 HA3 GLY 28 HA2 GLY 28 6.464 18.341 13.273 237 H THR 29 H THR 29 4.870 16.143 14.171 238 HA THR 29 HA THR 29 4.909 13.875 12.519 239 HB THR 29 HB THR 29 7.118 12.998 14.012 240 HG1 THR 29 HG1 THR 29 8.530 14.553 14.127 241 HG21 THR 29 HG21 THR 29 7.200 12.211 11.865 242 HG22 THR 29 HG22 THR 29 8.308 13.566 11.657 243 HG23 THR 29 HG23 THR 29 6.623 13.723 11.163 244 H GLU 30 H GLU 30 5.477 11.803 14.176 245 HA GLU 30 HA GLU 30 4.403 12.281 16.826 246 HB2 GLU 30 HB3 GLU 30 2.509 10.665 16.509 247 HB3 GLU 30 HB2 GLU 30 2.317 12.163 15.607 248 HG2 GLU 30 HG3 GLU 30 3.262 10.988 13.588 249 HG3 GLU 30 HG2 GLU 30 3.232 9.486 14.506 250 H ALA 31 H ALA 31 6.786 11.497 16.770 251 HA ALA 31 HA ALA 31 6.990 8.573 16.564 252 HB1 ALA 31 HB1 ALA 31 9.427 8.996 16.897 253 HB2 ALA 31 HB2 ALA 31 9.080 10.724 16.931 254 HB3 ALA 31 HB3 ALA 31 8.760 9.789 15.471 255 HA PRO 32 HA PRO 32 6.590 8.558 21.100 256 HB2 PRO 32 HB3 PRO 32 6.244 5.893 21.391 257 HB3 PRO 32 HB2 PRO 32 4.959 6.949 20.764 258 HG2 PRO 32 HG3 PRO 32 6.877 5.225 19.245 259 HG3 PRO 32 HG2 PRO 32 5.129 5.392 19.043 260 HD2 PRO 32 HD3 PRO 32 6.909 6.670 17.469 261 HD3 PRO 32 HD2 PRO 32 5.320 7.352 17.874 262 H HIS 33 H HIS 33 7.593 6.592 22.688 263 HA HIS 33 HA HIS 33 9.484 5.835 23.717 264 HB2 HIS 33 HB3 HIS 33 10.414 5.566 20.854 265 HB3 HIS 33 HB2 HIS 33 11.317 4.960 22.243 266 HD1 HIS 33 HD1 HIS 33 10.255 2.987 23.599 267 HD2 HIS 33 HD2 HIS 33 8.096 4.085 20.214 268 HE1 HIS 33 HE1 HIS 33 8.570 1.138 23.195 269 HE2 HIS 33 HE2 HIS 33 7.249 1.790 21.127 270 H THR 34 H THR 34 9.112 8.631 23.433 271 HA THR 34 HA THR 34 11.900 9.616 23.313 272 HB THR 34 HB THR 34 10.875 11.858 22.924 273 HG1 THR 34 HG1 THR 34 8.509 10.375 22.492 274 HG21 THR 34 HG21 THR 34 9.882 9.880 20.870 275 HG22 THR 34 HG22 THR 34 11.602 10.210 21.084 276 HG23 THR 34 HG23 THR 34 10.507 11.509 20.608 277 H GLY 35 H GLY 35 9.544 8.734 25.497 278 HA2 GLY 35 HA3 GLY 35 10.676 10.492 27.568 279 HA3 GLY 35 HA2 GLY 35 8.929 10.331 27.427 280 H GLU 36 H GLU 36 11.616 9.189 28.961 281 HA GLU 36 HA GLU 36 10.946 6.418 29.253 282 HB2 GLU 36 HB3 GLU 36 12.802 6.354 30.786 283 HB3 GLU 36 HB2 GLU 36 13.219 7.378 29.416 284 HG2 GLU 36 HG3 GLU 36 12.608 9.386 30.760 285 HG3 GLU 36 HG2 GLU 36 12.336 8.328 32.144 286 H TYR 37 H TYR 37 9.935 9.308 30.790 287 HA TYR 37 HA TYR 37 8.950 7.955 33.194 288 HB2 TYR 37 HB3 TYR 37 8.930 10.866 32.377 289 HB3 TYR 37 HB2 TYR 37 8.299 10.255 33.904 290 HD1 TYR 37 HD1 TYR 37 11.300 11.059 31.987 291 HD2 TYR 37 HD2 TYR 37 9.826 9.179 35.557 292 HE1 TYR 37 HE1 TYR 37 13.583 11.104 32.953 293 HE2 TYR 37 HE2 TYR 37 12.109 9.224 36.523 294 HH TYR 37 HH TYR 37 14.676 11.023 35.087 295 H THR 38 H THR 38 7.734 7.753 30.311 296 HA THR 38 HA THR 38 5.175 8.949 30.369 297 HB THR 38 HB THR 38 4.608 7.252 28.635 298 HG1 THR 38 HG1 THR 38 5.859 5.587 28.333 299 HG21 THR 38 HG21 THR 38 5.571 9.173 27.717 300 HG22 THR 38 HG22 THR 38 6.637 7.903 27.120 301 HG23 THR 38 HG23 THR 38 7.129 8.891 28.495 302 H ASN 39 H ASN 39 6.392 5.932 31.726 303 HA ASN 39 HA ASN 39 5.423 4.334 33.059 304 HB2 ASN 39 HB3 ASN 39 5.211 6.473 34.416 305 HB3 ASN 39 HB2 ASN 39 3.531 6.534 33.890 306 HD21 ASN 39 HD21 ASN 39 2.544 6.033 35.918 307 HD22 ASN 39 HD22 ASN 39 2.769 4.550 36.711 308 H THR 40 H THR 40 4.591 3.930 30.575 309 HA THR 40 HA THR 40 1.763 4.000 30.168 310 HB THR 40 HB THR 40 2.239 2.491 28.260 311 HG1 THR 40 HG1 THR 40 3.879 1.257 29.037 312 HG21 THR 40 HG21 THR 40 3.872 4.050 27.111 313 HG22 THR 40 HG22 THR 40 4.052 4.881 28.656 314 HG23 THR 40 HG23 THR 40 2.483 4.845 27.851 315 H THR 41 H THR 41 3.471 2.154 32.344 316 HA THR 41 HA THR 41 2.455 -0.451 32.013 317 HB THR 41 HB THR 41 3.015 -0.749 34.409 318 HG1 THR 41 HG1 THR 41 3.599 2.020 34.270 319 HG21 THR 41 HG21 THR 41 4.742 -0.785 32.555 320 HG22 THR 41 HG22 THR 41 5.378 -0.409 34.156 321 HG23 THR 41 HG23 THR 41 5.126 0.882 32.982 322 H THR 42 H THR 42 0.882 2.426 33.152 323 HA THR 42 HA THR 42 -1.331 0.837 34.299 324 HB THR 42 HB THR 42 -0.859 3.813 34.532 325 HG1 THR 42 HG1 THR 42 -0.195 1.660 36.247 326 HG21 THR 42 HG21 THR 42 -2.490 2.069 36.361 327 HG22 THR 42 HG22 THR 42 -3.200 2.752 34.898 328 HG23 THR 42 HG23 THR 42 -2.566 3.818 36.151 329 H GLU 43 H GLU 43 -3.385 1.020 33.491 330 HA GLU 43 HA GLU 43 -3.664 2.437 30.912 331 HB2 GLU 43 HB3 GLU 43 -5.046 -0.025 32.008 332 HB3 GLU 43 HB2 GLU 43 -5.583 0.823 30.557 333 HG2 GLU 43 HG3 GLU 43 -3.470 0.412 29.454 334 HG3 GLU 43 HG2 GLU 43 -2.769 -0.238 30.930 335 H GLY 44 H GLY 44 -4.523 4.369 31.375 336 HA2 GLY 44 HA3 GLY 44 -7.029 4.402 32.916 337 HA3 GLY 44 HA2 GLY 44 -5.738 5.513 33.328 338 H ILE 45 H ILE 45 -5.912 7.475 32.519 339 HA ILE 45 HA ILE 45 -7.520 7.837 30.055 340 HB ILE 45 HB ILE 45 -7.201 9.688 32.435 341 HG12 ILE 45 HG13 ILE 45 -9.761 8.376 31.487 342 HG13 ILE 45 HG12 ILE 45 -8.674 7.517 32.576 343 HG21 ILE 45 HG21 ILE 45 -7.496 10.762 30.114 344 HG22 ILE 45 HG22 ILE 45 -8.699 11.190 31.334 345 HG23 ILE 45 HG23 ILE 45 -9.091 10.003 30.090 346 HD11 ILE 45 HD11 ILE 45 -8.948 9.075 34.299 347 HD12 ILE 45 HD12 ILE 45 -10.572 8.932 33.622 348 HD13 ILE 45 HD13 ILE 45 -9.567 10.323 33.211 349 H TYR 46 H TYR 46 -6.641 8.807 28.407 350 HA TYR 46 HA TYR 46 -3.874 9.535 28.396 351 HB2 TYR 46 HB3 TYR 46 -6.092 9.305 26.437 352 HB3 TYR 46 HB2 TYR 46 -4.851 10.478 26.020 353 HD1 TYR 46 HD1 TYR 46 -4.851 7.016 27.557 354 HD2 TYR 46 HD2 TYR 46 -3.298 9.628 24.517 355 HE1 TYR 46 HE1 TYR 46 -3.393 5.189 26.721 356 HE2 TYR 46 HE2 TYR 46 -1.844 7.801 23.689 357 HH TYR 46 HH TYR 46 -1.972 5.165 23.787 358 H SER 47 H SER 47 -2.964 11.550 28.478 359 HA SER 47 HA SER 47 -4.767 13.856 28.495 360 HB2 SER 47 HB3 SER 47 -3.491 14.825 30.410 361 HB3 SER 47 HB2 SER 47 -4.459 13.414 30.821 362 HG SER 47 HG SER 47 -2.146 13.538 31.533 363 H CYS 48 H CYS 48 -4.125 15.422 27.219 364 HA CYS 48 HA CYS 48 -1.939 15.379 25.514 365 HB2 CYS 48 HB3 CYS 48 -4.067 16.915 25.584 366 HB3 CYS 48 HB2 CYS 48 -3.065 17.981 26.540 367 H ARG 49 H ARG 49 0.178 15.646 25.852 368 HA ARG 49 HA ARG 49 1.299 16.172 28.385 369 HB2 ARG 49 HB3 ARG 49 2.336 15.027 26.299 370 HB3 ARG 49 HB2 ARG 49 2.754 16.658 25.786 371 HG2 ARG 49 HG3 ARG 49 3.465 15.845 28.594 372 HG3 ARG 49 HG2 ARG 49 4.420 15.177 27.276 373 HD2 ARG 49 HD3 ARG 49 4.770 17.532 26.440 374 HD3 ARG 49 HD2 ARG 49 3.998 18.107 27.909 375 HE ARG 49 HE ARG 49 6.646 16.915 27.691 376 HH11 ARG 49 HH11 ARG 49 4.036 17.866 29.831 377 HH12 ARG 49 HH12 ARG 49 5.054 17.927 31.230 378 HH21 ARG 49 HH21 ARG 49 7.929 17.006 29.536 379 HH22 ARG 49 HH22 ARG 49 7.238 17.443 31.064 380 H ALA 50 H ALA 50 0.500 18.225 25.657 381 HA ALA 50 HA ALA 50 1.912 20.549 26.345 382 HB1 ALA 50 HB1 ALA 50 -0.744 20.790 25.028 383 HB2 ALA 50 HB2 ALA 50 0.475 19.794 24.235 384 HB3 ALA 50 HB3 ALA 50 0.814 21.489 24.572 385 H CYS 51 H CYS 51 -1.509 19.747 27.038 386 HA CYS 51 HA CYS 51 -1.503 21.909 29.066 387 HB2 CYS 51 HB3 CYS 51 -4.072 21.854 28.599 388 HB3 CYS 51 HB2 CYS 51 -3.004 22.709 27.492 389 H GLY 52 H GLY 52 -2.658 18.672 28.295 390 HA2 GLY 52 HA3 GLY 52 -2.643 16.960 30.003 391 HA3 GLY 52 HA2 GLY 52 -3.062 18.195 31.182 392 H THR 53 H THR 53 -4.684 18.234 28.093 393 HA THR 53 HA THR 53 -7.257 17.908 29.346 394 HB THR 53 HB THR 53 -7.584 17.538 26.553 395 HG1 THR 53 HG1 THR 53 -5.486 18.082 26.170 396 HG21 THR 53 HG21 THR 53 -7.613 20.183 28.015 397 HG22 THR 53 HG22 THR 53 -8.895 18.979 28.159 398 HG23 THR 53 HG23 THR 53 -8.555 19.722 26.597 399 H GLU 54 H GLU 54 -8.656 16.192 29.313 400 HA GLU 54 HA GLU 54 -7.508 13.572 28.979 401 HB2 GLU 54 HB3 GLU 54 -10.369 14.419 29.504 402 HB3 GLU 54 HB2 GLU 54 -9.771 12.763 29.587 403 HG2 GLU 54 HG3 GLU 54 -8.164 13.479 31.355 404 HG3 GLU 54 HG2 GLU 54 -8.875 15.090 31.299 405 H LEU 55 H LEU 55 -6.891 14.044 26.734 406 HA LEU 55 HA LEU 55 -8.685 14.468 24.632 407 HB2 LEU 55 HB3 LEU 55 -6.080 12.911 24.531 408 HB3 LEU 55 HB2 LEU 55 -6.892 13.673 23.167 409 HG LEU 55 HG LEU 55 -5.696 15.107 25.557 410 HD11 LEU 55 HD11 LEU 55 -3.918 14.322 24.226 411 HD12 LEU 55 HD12 LEU 55 -4.145 15.997 23.724 412 HD13 LEU 55 HD13 LEU 55 -4.766 14.686 22.725 413 HD21 LEU 55 HD21 LEU 55 -6.466 16.603 23.075 414 HD22 LEU 55 HD22 LEU 55 -6.434 17.135 24.757 415 HD23 LEU 55 HD23 LEU 55 -7.762 16.149 24.177 416 H PHE 56 H PHE 56 -7.511 11.438 26.054 417 HA PHE 56 HA PHE 56 -9.786 10.041 24.844 418 HB2 PHE 56 HB3 PHE 56 -6.911 9.131 24.556 419 HB3 PHE 56 HB2 PHE 56 -8.318 8.152 24.147 420 HD1 PHE 56 HD1 PHE 56 -6.228 11.003 23.180 421 HD2 PHE 56 HD2 PHE 56 -9.798 8.792 22.272 422 HE1 PHE 56 HE1 PHE 56 -6.342 12.098 20.956 423 HE2 PHE 56 HE2 PHE 56 -9.911 9.887 20.050 424 HZ PHE 56 HZ PHE 56 -8.183 11.540 19.392 425 H ARG 57 H ARG 57 -10.048 7.789 25.800 426 HA ARG 57 HA ARG 57 -8.853 7.512 28.467 427 HB2 ARG 57 HB3 ARG 57 -11.025 7.072 29.513 428 HB3 ARG 57 HB2 ARG 57 -10.935 8.706 28.867 429 HG2 ARG 57 HG3 ARG 57 -12.203 8.032 26.890 430 HG3 ARG 57 HG2 ARG 57 -12.224 6.361 27.453 431 HD2 ARG 57 HD3 ARG 57 -13.415 8.699 28.967 432 HD3 ARG 57 HD2 ARG 57 -14.342 7.579 27.976 433 HE ARG 57 HE ARG 57 -12.889 6.044 29.809 434 HH11 ARG 57 HH11 ARG 57 -15.429 8.459 29.893 435 HH12 ARG 57 HH12 ARG 57 -16.122 7.844 31.357 436 HH21 ARG 57 HH21 ARG 57 -13.822 5.281 31.710 437 HH22 ARG 57 HH22 ARG 57 -15.219 6.060 32.375 438 H SER 58 H SER 58 -9.303 5.422 29.481 439 HA SER 58 HA SER 58 -8.520 3.314 27.829 440 HB2 SER 58 HB3 SER 58 -8.826 1.893 29.790 441 HB3 SER 58 HB2 SER 58 -8.019 3.397 30.212 442 HG SER 58 HG SER 58 -9.928 2.604 31.513 443 H THR 59 H THR 59 -11.746 4.403 28.491 444 HA THR 59 HA THR 59 -12.985 1.852 28.092 445 HB THR 59 HB THR 59 -13.941 3.915 29.324 446 HG1 THR 59 HG1 THR 59 -15.417 2.283 27.551 447 HG21 THR 59 HG21 THR 59 -14.981 5.597 28.173 448 HG22 THR 59 HG22 THR 59 -15.460 4.534 26.858 449 HG23 THR 59 HG23 THR 59 -13.823 5.179 26.910 450 H GLU 60 H GLU 60 -12.058 4.430 25.899 451 HA GLU 60 HA GLU 60 -13.169 2.835 23.660 452 HB2 GLU 60 HB3 GLU 60 -13.419 5.694 24.328 453 HB3 GLU 60 HB2 GLU 60 -12.895 5.425 22.669 454 HG2 GLU 60 HG3 GLU 60 -15.264 5.447 22.553 455 HG3 GLU 60 HG2 GLU 60 -14.838 3.738 22.511 456 H LYS 61 H LYS 61 -10.407 2.756 24.908 457 HA LYS 61 HA LYS 61 -8.941 3.305 22.391 458 HB2 LYS 61 HB3 LYS 61 -7.216 4.432 23.429 459 HB3 LYS 61 HB2 LYS 61 -8.552 4.926 24.455 460 HG2 LYS 61 HG3 LYS 61 -7.931 2.956 25.967 461 HG3 LYS 61 HG2 LYS 61 -6.455 2.817 25.025 462 HD2 LYS 61 HD3 LYS 61 -6.111 5.329 25.523 463 HD3 LYS 61 HD2 LYS 61 -7.342 5.120 26.767 464 HE2 LYS 61 HE3 LYS 61 -4.753 3.547 26.562 465 HE3 LYS 61 HE2 LYS 61 -5.081 4.836 27.714 466 HZ1 LYS 61 HZ1 LYS 61 -6.700 2.362 27.520 467 HZ2 LYS 61 HZ2 LYS 61 -6.769 3.548 28.733 468 HZ3 LYS 61 HZ3 LYS 61 -5.401 2.550 28.594 469 H PHE 62 H PHE 62 -6.926 2.096 22.143 470 HA PHE 62 HA PHE 62 -7.129 -0.622 23.301 471 HB2 PHE 62 HB3 PHE 62 -5.973 0.349 20.680 472 HB3 PHE 62 HB2 PHE 62 -5.695 -1.273 21.312 473 HD1 PHE 62 HD1 PHE 62 -8.177 1.037 19.895 474 HD2 PHE 62 HD2 PHE 62 -7.514 -2.892 21.493 475 HE1 PHE 62 HE1 PHE 62 -10.356 0.296 18.976 476 HE2 PHE 62 HE2 PHE 62 -9.695 -3.635 20.578 477 HZ PHE 62 HZ PHE 62 -11.116 -2.040 19.318 478 H ASN 63 H ASN 63 -5.315 -1.559 24.234 479 HA ASN 63 HA ASN 63 -3.447 0.141 25.468 480 HB2 ASN 63 HB3 ASN 63 -4.127 -2.189 26.206 481 HB3 ASN 63 HB2 ASN 63 -3.040 -2.811 24.965 482 HD21 ASN 63 HD21 ASN 63 -1.403 -3.662 26.355 483 HD22 ASN 63 HD22 ASN 63 -0.483 -2.691 27.400 484 H SER 64 H SER 64 -2.694 -2.358 22.998 485 HA SER 64 HA SER 64 -1.237 -0.647 21.291 486 HB2 SER 64 HB3 SER 64 0.355 -0.490 23.149 487 HB3 SER 64 HB2 SER 64 0.473 -2.246 23.212 488 HG SER 64 HG SER 64 1.744 -0.499 21.606 489 H HIS 65 H HIS 65 -0.860 -1.642 19.392 490 HA HIS 65 HA HIS 65 -0.447 -4.505 19.240 491 HB2 HIS 65 HB3 HIS 65 -2.338 -4.959 17.750 492 HB3 HIS 65 HB2 HIS 65 -2.887 -4.407 19.328 493 HD1 HIS 65 HD1 HIS 65 -3.718 -1.866 19.459 494 HD2 HIS 65 HD2 HIS 65 -3.116 -3.342 15.607 495 HE1 HIS 65 HE1 HIS 65 -4.902 -0.272 17.886 496 HE2 HIS 65 HE2 HIS 65 -4.542 -1.158 15.534 497 H CYS 66 H CYS 66 -0.098 -1.379 17.948 498 HA CYS 66 HA CYS 66 1.674 -2.331 15.889 499 HB2 CYS 66 HB3 CYS 66 0.549 -1.287 14.005 500 HB3 CYS 66 HB2 CYS 66 -0.531 -2.465 14.748 501 HG CYS 66 HG CYS 66 -2.086 -0.639 15.417 502 H GLY 67 H GLY 67 2.450 -0.305 14.567 503 HA2 GLY 67 HA3 GLY 67 3.711 1.457 16.353 504 HA3 GLY 67 HA2 GLY 67 3.597 1.690 14.611 505 H TRP 68 H TRP 68 0.765 1.833 14.418 506 HA TRP 68 HA TRP 68 0.144 4.293 15.930 507 HB2 TRP 68 HB3 TRP 68 -0.460 3.736 13.010 508 HB3 TRP 68 HB2 TRP 68 -1.004 5.151 13.909 509 HD1 TRP 68 HD1 TRP 68 0.828 6.916 14.655 510 HE1 TRP 68 HE1 TRP 68 3.190 7.436 13.756 511 HE3 TRP 68 HE3 TRP 68 1.672 2.681 11.946 512 HZ2 TRP 68 HZ2 TRP 68 5.174 6.205 12.100 513 HZ3 TRP 68 HZ3 TRP 68 3.803 2.376 10.718 514 HH2 TRP 68 HH2 TRP 68 5.553 4.131 10.791 515 HA PRO 69 HA PRO 69 -3.090 0.941 16.685 516 HB2 PRO 69 HB3 PRO 69 -3.219 2.502 19.228 517 HB3 PRO 69 HB2 PRO 69 -3.219 0.746 18.984 518 HG2 PRO 69 HG3 PRO 69 -1.063 1.942 19.885 519 HG3 PRO 69 HG2 PRO 69 -0.925 0.662 18.663 520 HD2 PRO 69 HD3 PRO 69 -0.744 3.643 18.293 521 HD3 PRO 69 HD2 PRO 69 0.245 2.356 17.562 522 H SER 70 H SER 70 -5.234 1.158 16.296 523 HA SER 70 HA SER 70 -6.312 3.802 15.765 524 HB2 SER 70 HB3 SER 70 -7.557 1.050 15.545 525 HB3 SER 70 HB2 SER 70 -8.322 2.546 15.024 526 HG SER 70 HG SER 70 -6.374 2.838 13.704 527 H PHE 71 H PHE 71 -8.160 4.690 16.806 528 HA PHE 71 HA PHE 71 -8.898 3.456 19.395 529 HB2 PHE 71 HB3 PHE 71 -8.286 6.396 18.967 530 HB3 PHE 71 HB2 PHE 71 -8.817 5.654 20.473 531 HD1 PHE 71 HD1 PHE 71 -5.981 6.532 18.466 532 HD2 PHE 71 HD2 PHE 71 -7.334 3.746 21.439 533 HE1 PHE 71 HE1 PHE 71 -3.627 5.995 19.035 534 HE2 PHE 71 HE2 PHE 71 -4.983 3.212 22.011 535 HZ PHE 71 HZ PHE 71 -3.128 4.336 20.808 536 H PHE 72 H PHE 72 -10.954 4.284 20.243 537 HA PHE 72 HA PHE 72 -12.853 4.759 18.073 538 HB2 PHE 72 HB3 PHE 72 -13.373 4.229 21.010 539 HB3 PHE 72 HB2 PHE 72 -14.582 4.263 19.737 540 HD1 PHE 72 HD1 PHE 72 -12.727 2.095 21.711 541 HD2 PHE 72 HD2 PHE 72 -13.816 2.690 17.596 542 HE1 PHE 72 HE1 PHE 72 -12.326 -0.308 21.255 543 HE2 PHE 72 HE2 PHE 72 -13.415 0.287 17.144 544 HZ PHE 72 HZ PHE 72 -12.672 -1.212 18.972 545 H SER 73 H SER 73 -14.843 6.184 19.281 546 HA SER 73 HA SER 73 -14.148 8.825 18.919 547 HB2 SER 73 HB3 SER 73 -16.459 7.958 19.012 548 HB3 SER 73 HB2 SER 73 -16.312 7.796 20.754 549 HG SER 73 HG SER 73 -16.584 9.873 20.943 550 HA PRO 74 HA PRO 74 -11.821 9.977 22.565 551 HB2 PRO 74 HB3 PRO 74 -12.383 12.661 22.709 552 HB3 PRO 74 HB2 PRO 74 -11.253 11.960 21.533 553 HG2 PRO 74 HG3 PRO 74 -14.114 12.733 21.170 554 HG3 PRO 74 HG2 PRO 74 -12.729 13.021 20.104 555 HD2 PRO 74 HD3 PRO 74 -14.473 11.035 19.617 556 HD3 PRO 74 HD2 PRO 74 -12.738 10.848 19.275 557 H LEU 75 H LEU 75 -12.264 11.574 24.620 558 HA LEU 75 HA LEU 75 -14.065 10.321 26.286 559 HB2 LEU 75 HB3 LEU 75 -12.567 12.867 26.334 560 HB3 LEU 75 HB2 LEU 75 -14.044 12.913 27.294 561 HG LEU 75 HG LEU 75 -13.233 10.655 28.281 562 HD11 LEU 75 HD11 LEU 75 -10.609 10.693 28.303 563 HD12 LEU 75 HD12 LEU 75 -10.783 11.622 26.815 564 HD13 LEU 75 HD13 LEU 75 -11.446 9.992 26.918 565 HD21 LEU 75 HD21 LEU 75 -11.653 11.932 29.855 566 HD22 LEU 75 HD22 LEU 75 -13.285 12.578 29.686 567 HD23 LEU 75 HD23 LEU 75 -11.946 13.334 28.827 568 H ALA 76 H ALA 76 -14.651 13.575 24.893 569 HA ALA 76 HA ALA 76 -17.446 12.858 24.403 570 HB1 ALA 76 HB1 ALA 76 -17.911 13.623 26.515 571 HB2 ALA 76 HB2 ALA 76 -17.984 15.151 25.638 572 HB3 ALA 76 HB3 ALA 76 -16.530 14.719 26.541 573 H GLY 77 H GLY 77 -14.749 14.171 23.190 574 HA2 GLY 77 HA3 GLY 77 -14.410 15.398 21.251 575 HA3 GLY 77 HA2 GLY 77 -16.147 15.661 21.154 576 H ASP 78 H ASP 78 -15.048 16.493 24.227 577 HA ASP 78 HA ASP 78 -15.259 19.345 23.638 578 HB2 ASP 78 HB3 ASP 78 -15.179 17.748 26.202 579 HB3 ASP 78 HB2 ASP 78 -15.225 19.506 26.148 580 H LYS 79 H LYS 79 -12.938 16.939 24.649 581 HA LYS 79 HA LYS 79 -10.925 18.947 25.314 582 HB2 LYS 79 HB3 LYS 79 -10.312 16.010 25.201 583 HB3 LYS 79 HB2 LYS 79 -9.637 17.247 26.257 584 HG2 LYS 79 HG3 LYS 79 -12.484 16.189 26.441 585 HG3 LYS 79 HG2 LYS 79 -11.153 15.649 27.454 586 HD2 LYS 79 HD3 LYS 79 -10.913 17.856 28.425 587 HD3 LYS 79 HD2 LYS 79 -12.107 18.518 27.304 588 HE2 LYS 79 HE3 LYS 79 -13.844 17.093 28.247 589 HE3 LYS 79 HE2 LYS 79 -12.675 16.318 29.311 590 HZ1 LYS 79 HZ1 LYS 79 -13.818 19.019 29.439 591 HZ2 LYS 79 HZ2 LYS 79 -12.246 18.777 30.036 592 HZ3 LYS 79 HZ3 LYS 79 -13.550 17.905 30.689 593 H VAL 80 H VAL 80 -11.950 17.095 22.620 594 HA VAL 80 HA VAL 80 -9.558 17.919 21.103 595 HB VAL 80 HB VAL 80 -9.552 15.736 19.915 596 HG11 VAL 80 HG11 VAL 80 -9.309 15.500 22.924 597 HG12 VAL 80 HG12 VAL 80 -8.049 16.075 21.832 598 HG13 VAL 80 HG13 VAL 80 -8.592 14.397 21.748 599 HG21 VAL 80 HG21 VAL 80 -11.455 14.802 22.083 600 HG22 VAL 80 HG22 VAL 80 -10.852 13.866 20.716 601 HG23 VAL 80 HG23 VAL 80 -11.972 15.201 20.443 602 H ILE 81 H ILE 81 -9.936 18.351 18.895 603 HA ILE 81 HA ILE 81 -12.779 18.359 18.078 604 HB ILE 81 HB ILE 81 -10.744 20.541 18.117 605 HG12 ILE 81 HG13 ILE 81 -12.770 21.942 18.379 606 HG13 ILE 81 HG12 ILE 81 -13.783 20.529 18.117 607 HG21 ILE 81 HG21 ILE 81 -10.971 20.252 15.681 608 HG22 ILE 81 HG22 ILE 81 -11.741 21.751 16.209 609 HG23 ILE 81 HG23 ILE 81 -12.728 20.340 15.827 610 HD11 ILE 81 HD11 ILE 81 -13.060 21.402 20.584 611 HD12 ILE 81 HD12 ILE 81 -11.743 20.273 20.271 612 HD13 ILE 81 HD13 ILE 81 -13.414 19.712 20.224 613 H GLU 82 H GLU 82 -13.282 17.658 16.117 614 HA GLU 82 HA GLU 82 -11.106 16.567 14.430 615 HB2 GLU 82 HB3 GLU 82 -13.969 15.632 14.266 616 HB3 GLU 82 HB2 GLU 82 -12.505 14.785 13.786 617 HG2 GLU 82 HG3 GLU 82 -11.893 14.783 16.297 618 HG3 GLU 82 HG2 GLU 82 -13.568 15.240 16.579 619 H ARG 83 H ARG 83 -10.798 17.696 12.603 620 HA ARG 83 HA ARG 83 -13.138 18.867 11.236 621 HB2 ARG 83 HB3 ARG 83 -10.535 20.302 11.813 622 HB3 ARG 83 HB2 ARG 83 -11.801 20.905 10.743 623 HG2 ARG 83 HG3 ARG 83 -13.402 20.915 12.604 624 HG3 ARG 83 HG2 ARG 83 -12.173 20.254 13.682 625 HD2 ARG 83 HD3 ARG 83 -12.275 22.651 14.026 626 HD3 ARG 83 HD2 ARG 83 -10.759 22.268 13.216 627 HE ARG 83 HE ARG 83 -12.770 22.856 11.292 628 HH11 ARG 83 HH11 ARG 83 -10.713 24.434 13.652 629 HH12 ARG 83 HH12 ARG 83 -10.704 25.944 12.803 630 HH21 ARG 83 HH21 ARG 83 -12.731 24.837 10.225 631 HH22 ARG 83 HH22 ARG 83 -11.837 26.168 10.879 632 H THR 84 H THR 84 -12.904 19.161 8.989 633 HA THR 84 HA THR 84 -11.043 17.283 7.771 634 HB THR 84 HB THR 84 -13.620 17.605 7.299 635 HG1 THR 84 HG1 THR 84 -12.135 16.165 6.287 636 HG21 THR 84 HG21 THR 84 -12.990 20.083 6.486 637 HG22 THR 84 HG22 THR 84 -14.287 19.156 5.733 638 HG23 THR 84 HG23 THR 84 -12.696 19.228 4.969 639 H ASP 85 H ASP 85 -9.471 17.811 6.197 640 HA ASP 85 HA ASP 85 -8.911 20.715 5.901 641 HB2 ASP 85 HB3 ASP 85 -7.367 19.709 7.554 642 HB3 ASP 85 HB2 ASP 85 -6.864 18.528 6.347 643 H THR 86 H THR 86 -9.111 21.220 3.826 644 HA THR 86 HA THR 86 -8.385 19.233 1.775 645 HB THR 86 HB THR 86 -10.144 21.653 1.347 646 HG1 THR 86 HG1 THR 86 -11.347 20.611 2.765 647 HG21 THR 86 HG21 THR 86 -11.032 20.134 -0.471 648 HG22 THR 86 HG22 THR 86 -9.717 19.023 -0.087 649 HG23 THR 86 HG23 THR 86 -9.356 20.642 -0.687 650 H SER 87 H SER 87 -6.177 19.863 1.999 651 HA SER 87 HA SER 87 -5.468 22.050 0.215 652 HB2 SER 87 HB3 SER 87 -5.759 23.074 2.520 653 HB3 SER 87 HB2 SER 87 -4.346 22.144 3.010 654 HG SER 87 HG SER 87 -4.510 24.420 1.546 655 H HIS 88 H HIS 88 -4.919 18.983 1.075 656 HA HIS 88 HA HIS 88 -2.016 19.107 0.464 657 HB2 HIS 88 HB3 HIS 88 -3.527 17.012 2.046 658 HB3 HIS 88 HB2 HIS 88 -1.815 16.934 1.637 659 HD1 HIS 88 HD1 HIS 88 -0.381 19.124 2.521 660 HD2 HIS 88 HD2 HIS 88 -4.014 18.356 4.415 661 HE1 HIS 88 HE1 HIS 88 -0.332 20.398 4.709 662 HE2 HIS 88 HE2 HIS 88 -2.539 19.940 5.876 663 H GLY 89 H GLY 89 -4.504 18.882 -1.321 664 HA2 GLY 89 HA3 GLY 89 -4.564 17.979 -3.519 665 HA3 GLY 89 HA2 GLY 89 -3.505 16.674 -2.987 666 H MET 90 H MET 90 -5.262 16.492 -0.503 667 HA MET 90 HA MET 90 -7.752 15.390 -1.501 668 HB2 MET 90 HB3 MET 90 -7.352 13.221 -0.459 669 HB3 MET 90 HB2 MET 90 -6.066 13.578 -1.606 670 HG2 MET 90 HG3 MET 90 -4.587 14.296 0.216 671 HG3 MET 90 HG2 MET 90 -5.867 13.980 1.388 672 HE1 MET 90 HE1 MET 90 -6.848 12.038 1.972 673 HE2 MET 90 HE2 MET 90 -6.235 10.393 1.813 674 HE3 MET 90 HE3 MET 90 -7.186 11.102 0.509 675 H VAL 91 H VAL 91 -9.262 14.988 0.351 676 HA VAL 91 HA VAL 91 -8.587 16.757 2.575 677 HB VAL 91 HB VAL 91 -10.474 17.786 1.878 678 HG11 VAL 91 HG11 VAL 91 -12.324 16.717 0.606 679 HG12 VAL 91 HG12 VAL 91 -11.494 15.166 0.734 680 HG13 VAL 91 HG13 VAL 91 -10.761 16.487 -0.177 681 HG21 VAL 91 HG21 VAL 91 -11.054 16.700 4.044 682 HG22 VAL 91 HG22 VAL 91 -11.894 15.454 3.124 683 HG23 VAL 91 HG23 VAL 91 -12.445 17.131 3.048 684 H ARG 92 H ARG 92 -8.549 16.127 4.586 685 HA ARG 92 HA ARG 92 -9.492 13.442 5.330 686 HB2 ARG 92 HB3 ARG 92 -6.736 14.596 5.758 687 HB3 ARG 92 HB2 ARG 92 -7.357 13.231 6.669 688 HG2 ARG 92 HG3 ARG 92 -7.296 13.270 3.643 689 HG3 ARG 92 HG2 ARG 92 -5.948 12.665 4.603 690 HD2 ARG 92 HD3 ARG 92 -8.791 11.609 4.726 691 HD3 ARG 92 HD2 ARG 92 -7.453 10.835 3.890 692 HE ARG 92 HE ARG 92 -7.904 10.895 6.761 693 HH11 ARG 92 HH11 ARG 92 -5.576 10.351 4.197 694 HH12 ARG 92 HH12 ARG 92 -4.530 9.394 5.192 695 HH21 ARG 92 HH21 ARG 92 -6.515 9.648 8.019 696 HH22 ARG 92 HH22 ARG 92 -5.060 9.001 7.340 697 H THR 93 H THR 93 -9.824 13.180 7.629 698 HA THR 93 HA THR 93 -10.507 15.714 8.939 699 HB THR 93 HB THR 93 -11.064 12.896 9.896 700 HG1 THR 93 HG1 THR 93 -12.792 14.683 8.536 701 HG21 THR 93 HG21 THR 93 -11.198 14.622 11.637 702 HG22 THR 93 HG22 THR 93 -12.814 14.044 11.231 703 HG23 THR 93 HG23 THR 93 -12.249 15.595 10.610 704 H GLU 94 H GLU 94 -8.869 16.627 9.981 705 HA GLU 94 HA GLU 94 -6.794 15.010 11.212 706 HB2 GLU 94 HB3 GLU 94 -5.667 17.159 11.631 707 HB3 GLU 94 HB2 GLU 94 -6.122 16.997 9.938 708 HG2 GLU 94 HG3 GLU 94 -8.149 18.372 10.366 709 HG3 GLU 94 HG2 GLU 94 -7.656 18.557 12.044 710 H VAL 95 H VAL 95 -6.408 14.838 13.342 711 HA VAL 95 HA VAL 95 -8.578 15.652 15.145 712 HB VAL 95 HB VAL 95 -6.311 13.670 15.543 713 HG11 VAL 95 HG11 VAL 95 -8.573 14.582 17.338 714 HG12 VAL 95 HG12 VAL 95 -6.855 14.457 17.718 715 HG13 VAL 95 HG13 VAL 95 -7.824 12.995 17.539 716 HG21 VAL 95 HG21 VAL 95 -8.194 13.101 13.901 717 HG22 VAL 95 HG22 VAL 95 -9.281 13.130 15.290 718 HG23 VAL 95 HG23 VAL 95 -7.960 11.964 15.229 719 H ILE 96 H ILE 96 -8.329 17.318 16.418 720 HA ILE 96 HA ILE 96 -5.621 18.204 17.192 721 HB ILE 96 HB ILE 96 -6.413 20.528 17.065 722 HG12 ILE 96 HG13 ILE 96 -8.793 19.539 15.474 723 HG13 ILE 96 HG12 ILE 96 -8.912 19.746 17.219 724 HG21 ILE 96 HG21 ILE 96 -6.483 20.644 14.553 725 HG22 ILE 96 HG22 ILE 96 -6.586 18.882 14.528 726 HG23 ILE 96 HG23 ILE 96 -5.159 19.675 15.196 727 HD11 ILE 96 HD11 ILE 96 -8.697 21.786 15.089 728 HD12 ILE 96 HD12 ILE 96 -7.766 22.112 16.554 729 HD13 ILE 96 HD13 ILE 96 -9.506 21.858 16.652 730 H CYS 97 H CYS 97 -5.570 19.465 19.157 731 HA CYS 97 HA CYS 97 -7.395 18.422 21.178 732 HB2 CYS 97 HB3 CYS 97 -4.924 18.723 21.465 733 HB3 CYS 97 HB2 CYS 97 -5.178 20.450 21.481 734 H ALA 98 H ALA 98 -9.040 19.551 22.116 735 HA ALA 98 HA ALA 98 -10.256 21.663 20.759 736 HB1 ALA 98 HB1 ALA 98 -11.799 21.773 22.605 737 HB2 ALA 98 HB2 ALA 98 -10.653 20.961 23.671 738 HB3 ALA 98 HB3 ALA 98 -11.385 20.080 22.327 739 H ASN 99 H ASN 99 -7.685 21.775 23.080 740 HA ASN 99 HA ASN 99 -8.126 24.669 23.522 741 HB2 ASN 99 HB3 ASN 99 -6.415 24.371 25.336 742 HB3 ASN 99 HB2 ASN 99 -7.905 23.470 25.552 743 HD21 ASN 99 HD21 ASN 99 -7.608 21.366 26.163 744 HD22 ASN 99 HD22 ASN 99 -6.262 20.416 25.772 745 H CYS 100 H CYS 100 -5.813 22.339 22.299 746 HA CYS 100 HA CYS 100 -4.253 24.591 21.177 747 HB2 CYS 100 HB3 CYS 100 -2.162 23.335 21.578 748 HB3 CYS 100 HB2 CYS 100 -2.991 23.764 23.068 749 H GLU 101 H GLU 101 -2.887 23.972 19.319 750 HA GLU 101 HA GLU 101 -4.492 22.479 17.452 751 HB2 GLU 101 HB3 GLU 101 -1.989 24.137 17.251 752 HB3 GLU 101 HB2 GLU 101 -2.498 23.128 15.898 753 HG2 GLU 101 HG3 GLU 101 -4.692 24.243 15.871 754 HG3 GLU 101 HG2 GLU 101 -4.214 25.236 17.247 755 H SER 102 H SER 102 -4.175 20.457 18.793 756 HA SER 102 HA SER 102 -1.650 19.080 18.396 757 HB2 SER 102 HB3 SER 102 -4.242 18.112 19.607 758 HB3 SER 102 HB2 SER 102 -2.732 17.212 19.588 759 HG SER 102 HG SER 102 -2.338 18.266 21.363 760 H HIS 103 H HIS 103 -2.338 19.734 16.012 761 HA HIS 103 HA HIS 103 -4.004 17.811 14.641 762 HB2 HIS 103 HB3 HIS 103 -2.848 18.854 12.559 763 HB3 HIS 103 HB2 HIS 103 -3.957 19.850 13.489 764 HD1 HIS 103 HD1 HIS 103 -2.848 22.091 12.929 765 HD2 HIS 103 HD2 HIS 103 -0.190 19.364 14.634 766 HE1 HIS 103 HE1 HIS 103 -0.752 23.392 13.500 767 HE2 HIS 103 HE2 HIS 103 0.876 21.746 14.541 768 H LEU 104 H LEU 104 -1.549 16.930 16.226 769 HA LEU 104 HA LEU 104 0.345 15.900 14.355 770 HB2 LEU 104 HB3 LEU 104 1.248 14.718 16.307 771 HB3 LEU 104 HB2 LEU 104 0.918 16.412 16.652 772 HG LEU 104 HG LEU 104 -1.443 15.436 17.471 773 HD11 LEU 104 HD11 LEU 104 0.480 13.106 17.644 774 HD12 LEU 104 HD12 LEU 104 -1.152 13.126 16.985 775 HD13 LEU 104 HD13 LEU 104 -0.908 13.249 18.723 776 HD21 LEU 104 HD21 LEU 104 0.396 16.660 18.781 777 HD22 LEU 104 HD22 LEU 104 0.982 15.065 19.246 778 HD23 LEU 104 HD23 LEU 104 -0.642 15.578 19.710 779 H GLY 105 H GLY 105 -2.731 14.826 15.527 780 HA2 GLY 105 HA3 GLY 105 -2.303 12.168 14.301 781 HA3 GLY 105 HA2 GLY 105 -3.366 12.470 15.671 782 H HIS 106 H HIS 106 -4.034 11.253 13.135 783 HA HIS 106 HA HIS 106 -6.147 13.120 12.244 784 HB2 HIS 106 HB3 HIS 106 -4.411 11.313 10.549 785 HB3 HIS 106 HB2 HIS 106 -5.930 11.997 9.974 786 HD1 HIS 106 HD1 HIS 106 -2.541 13.110 11.293 787 HD2 HIS 106 HD2 HIS 106 -5.750 14.637 9.105 788 HE1 HIS 106 HE1 HIS 106 -1.818 15.389 10.456 789 HE2 HIS 106 HE2 HIS 106 -3.763 16.334 9.125 790 H VAL 107 H VAL 107 -8.070 12.065 11.430 791 HA VAL 107 HA VAL 107 -8.410 9.268 12.291 792 HB VAL 107 HB VAL 107 -9.289 10.747 14.052 793 HG11 VAL 107 HG11 VAL 107 -10.956 12.373 13.701 794 HG12 VAL 107 HG12 VAL 107 -11.361 11.747 12.104 795 HG13 VAL 107 HG13 VAL 107 -9.847 12.614 12.354 796 HG21 VAL 107 HG21 VAL 107 -10.436 8.659 13.834 797 HG22 VAL 107 HG22 VAL 107 -11.323 9.219 12.416 798 HG23 VAL 107 HG23 VAL 107 -11.687 9.890 14.006 799 H PHE 108 H PHE 108 -9.783 8.029 11.060 800 HA PHE 108 HA PHE 108 -10.943 9.320 8.653 801 HB2 PHE 108 HB3 PHE 108 -8.826 8.129 8.122 802 HB3 PHE 108 HB2 PHE 108 -9.527 6.642 8.752 803 HD1 PHE 108 HD1 PHE 108 -9.875 9.251 6.122 804 HD2 PHE 108 HD2 PHE 108 -11.044 5.333 7.439 805 HE1 PHE 108 HE1 PHE 108 -10.926 8.823 3.917 806 HE2 PHE 108 HE2 PHE 108 -12.095 4.906 5.234 807 HZ PHE 108 HZ PHE 108 -12.036 6.652 3.472 808 H ALA 109 H ALA 109 -13.024 8.927 8.359 809 HA ALA 109 HA ALA 109 -14.390 6.935 10.014 810 HB1 ALA 109 HB1 ALA 109 -15.118 9.426 9.561 811 HB2 ALA 109 HB2 ALA 109 -16.332 8.152 9.668 812 HB3 ALA 109 HB3 ALA 109 -15.807 8.740 8.090 813 H GLY 110 H GLY 110 -16.133 5.624 8.988 814 HA2 GLY 110 HA3 GLY 110 -16.979 4.221 7.340 815 HA3 GLY 110 HA2 GLY 110 -15.989 5.066 6.160 816 H GLU 111 H GLU 111 -14.407 3.844 8.987 817 HA GLU 111 HA GLU 111 -12.675 2.169 7.449 818 HB2 GLU 111 HB3 GLU 111 -12.040 3.424 9.537 819 HB3 GLU 111 HB2 GLU 111 -12.970 2.240 10.454 820 HG2 GLU 111 HG3 GLU 111 -10.654 1.539 10.444 821 HG3 GLU 111 HG2 GLU 111 -11.574 0.428 9.441 822 H GLY 112 H GLY 112 -15.578 1.590 9.342 823 HA2 GLY 112 HA3 GLY 112 -16.956 -0.279 9.341 824 HA3 GLY 112 HA2 GLY 112 -15.800 -1.093 8.294 825 H TYR 113 H TYR 113 -15.239 0.348 11.496 826 HA TYR 113 HA TYR 113 -14.067 -2.163 12.422 827 HB2 TYR 113 HB3 TYR 113 -13.904 0.684 13.209 828 HB3 TYR 113 HB2 TYR 113 -13.907 -0.434 14.568 829 HD1 TYR 113 HD1 TYR 113 -12.310 -0.046 11.183 830 HD2 TYR 113 HD2 TYR 113 -11.849 -1.314 15.262 831 HE1 TYR 113 HE1 TYR 113 -9.920 -0.553 10.757 832 HE2 TYR 113 HE2 TYR 113 -9.461 -1.820 14.835 833 HH TYR 113 HH TYR 113 -8.084 -2.450 12.609 834 H ASP 114 H ASP 114 -17.107 -1.474 12.116 835 HA ASP 114 HA ASP 114 -19.042 -2.056 13.152 836 HB2 ASP 114 HB3 ASP 114 -17.654 -4.213 13.290 837 HB3 ASP 114 HB2 ASP 114 -17.396 -3.795 14.982 838 H THR 115 H THR 115 -18.188 0.334 13.988 839 HA THR 115 HA THR 115 -18.859 0.361 16.849 840 HB THR 115 HB THR 115 -17.414 2.633 16.673 841 HG1 THR 115 HG1 THR 115 -15.759 2.440 15.300 842 HG21 THR 115 HG21 THR 115 -16.045 1.630 18.157 843 HG22 THR 115 HG22 THR 115 -15.609 0.343 17.032 844 HG23 THR 115 HG23 THR 115 -17.091 0.222 17.981 845 HA PRO 116 HA PRO 116 -22.064 3.218 15.831 846 HB2 PRO 116 HB3 PRO 116 -21.889 5.070 17.873 847 HB3 PRO 116 HB2 PRO 116 -22.622 3.463 18.040 848 HG2 PRO 116 HG3 PRO 116 -19.888 4.381 18.808 849 HG3 PRO 116 HG2 PRO 116 -21.012 3.323 19.682 850 HD2 PRO 116 HD3 PRO 116 -18.921 2.336 18.295 851 HD3 PRO 116 HD2 PRO 116 -20.463 1.461 18.379 852 H THR 117 H THR 117 -18.835 4.469 16.333 853 HA THR 117 HA THR 117 -19.470 6.955 14.874 854 HB THR 117 HB THR 117 -17.287 7.750 15.627 855 HG1 THR 117 HG1 THR 117 -15.834 6.392 16.253 856 HG21 THR 117 HG21 THR 117 -19.458 7.218 17.341 857 HG22 THR 117 HG22 THR 117 -18.110 8.310 17.652 858 HG23 THR 117 HG23 THR 117 -18.034 6.642 18.213 859 H ASP 118 H ASP 118 -17.718 3.947 14.620 860 HA ASP 118 HA ASP 118 -16.462 2.993 12.953 861 HB2 ASP 118 HB3 ASP 118 -18.757 3.487 11.868 862 HB3 ASP 118 HB2 ASP 118 -17.925 4.799 11.037 863 H LEU 119 H LEU 119 -15.118 4.991 14.256 864 HA LEU 119 HA LEU 119 -13.706 6.491 12.132 865 HB2 LEU 119 HB3 LEU 119 -13.912 6.987 15.107 866 HB3 LEU 119 HB2 LEU 119 -12.838 7.878 14.036 867 HG LEU 119 HG LEU 119 -15.833 7.706 13.604 868 HD11 LEU 119 HD11 LEU 119 -15.486 8.824 15.716 869 HD12 LEU 119 HD12 LEU 119 -15.785 10.075 14.509 870 HD13 LEU 119 HD13 LEU 119 -14.139 9.755 15.061 871 HD21 LEU 119 HD21 LEU 119 -13.589 9.404 12.463 872 HD22 LEU 119 HD22 LEU 119 -15.294 9.818 12.265 873 HD23 LEU 119 HD23 LEU 119 -14.665 8.317 11.584 874 H ARG 120 H ARG 120 -11.498 6.400 11.961 875 HA ARG 120 HA ARG 120 -10.114 4.405 13.653 876 HB2 ARG 120 HB3 ARG 120 -10.459 3.567 11.327 877 HB3 ARG 120 HB2 ARG 120 -9.572 4.964 10.718 878 HG2 ARG 120 HG3 ARG 120 -7.594 4.270 12.060 879 HG3 ARG 120 HG2 ARG 120 -8.481 2.848 12.605 880 HD2 ARG 120 HD3 ARG 120 -8.680 2.076 10.274 881 HD3 ARG 120 HD2 ARG 120 -7.809 3.501 9.723 882 HE ARG 120 HE ARG 120 -6.246 2.166 11.660 883 HH11 ARG 120 HH11 ARG 120 -7.385 1.713 8.376 884 HH12 ARG 120 HH12 ARG 120 -6.034 0.730 7.921 885 HH21 ARG 120 HH21 ARG 120 -4.508 0.886 11.026 886 HH22 ARG 120 HH22 ARG 120 -4.418 0.267 9.411 887 H TYR 121 H TYR 121 -9.519 6.174 15.043 888 HA TYR 121 HA TYR 121 -8.044 8.438 14.154 889 HB2 TYR 121 HB3 TYR 121 -8.173 7.048 16.837 890 HB3 TYR 121 HB2 TYR 121 -7.352 8.579 16.556 891 HD1 TYR 121 HD1 TYR 121 -10.644 6.881 16.356 892 HD2 TYR 121 HD2 TYR 121 -8.578 10.629 16.511 893 HE1 TYR 121 HE1 TYR 121 -12.794 8.028 16.728 894 HE2 TYR 121 HE2 TYR 121 -10.737 11.801 16.858 895 HH TYR 121 HH TYR 121 -13.700 10.052 17.478 896 H CYS 122 H CYS 122 -6.181 8.141 13.044 897 HA CYS 122 HA CYS 122 -4.314 6.028 13.885 898 HB2 CYS 122 HB3 CYS 122 -4.318 7.802 11.421 899 HB3 CYS 122 HB2 CYS 122 -3.148 6.525 11.757 900 HG CYS 122 HG CYS 122 -5.995 6.100 10.731 901 H ILE 123 H ILE 123 -3.606 7.013 15.773 902 HA ILE 123 HA ILE 123 -1.845 9.346 15.345 903 HB ILE 123 HB ILE 123 -3.549 9.057 17.833 904 HG12 ILE 123 HG13 ILE 123 -4.158 10.658 15.303 905 HG13 ILE 123 HG12 ILE 123 -5.072 9.289 15.889 906 HG21 ILE 123 HG21 ILE 123 -2.947 11.519 17.947 907 HG22 ILE 123 HG22 ILE 123 -1.908 11.256 16.549 908 HG23 ILE 123 HG23 ILE 123 -1.567 10.427 18.065 909 HD11 ILE 123 HD11 ILE 123 -4.949 12.079 17.000 910 HD12 ILE 123 HD12 ILE 123 -5.327 10.729 18.076 911 HD13 ILE 123 HD13 ILE 123 -6.360 11.060 16.683 912 H ASN 124 H ASN 124 -0.046 9.462 16.702 913 HA ASN 124 HA ASN 124 0.582 6.952 18.138 914 HB2 ASN 124 HB3 ASN 124 1.947 7.978 16.028 915 HB3 ASN 124 HB2 ASN 124 2.785 8.777 17.353 916 HD21 ASN 124 HD21 ASN 124 3.808 6.595 15.575 917 HD22 ASN 124 HD22 ASN 124 4.231 5.321 16.614 918 H SER 125 H SER 125 2.179 7.283 19.948 919 HA SER 125 HA SER 125 1.290 9.583 21.544 920 HB2 SER 125 HB3 SER 125 2.630 6.989 22.330 921 HB3 SER 125 HB2 SER 125 2.235 8.284 23.458 922 HG SER 125 HG SER 125 0.562 6.769 23.392 923 H VAL 126 H VAL 126 2.601 11.203 20.701 924 HA VAL 126 HA VAL 126 5.481 10.924 20.650 925 HB VAL 126 HB VAL 126 4.211 12.376 19.037 926 HG11 VAL 126 HG11 VAL 126 2.783 13.368 21.039 927 HG12 VAL 126 HG12 VAL 126 3.175 14.366 19.640 928 HG13 VAL 126 HG13 VAL 126 4.107 14.536 21.129 929 HG21 VAL 126 HG21 VAL 126 6.443 13.498 20.738 930 HG22 VAL 126 HG22 VAL 126 5.861 14.333 19.300 931 HG23 VAL 126 HG23 VAL 126 6.555 12.718 19.161 932 H CYS 127 H CYS 127 4.819 10.164 23.103 933 HA CYS 127 HA CYS 127 5.399 10.455 25.298 934 HB2 CYS 127 HB3 CYS 127 7.315 11.863 24.299 935 HB3 CYS 127 HB2 CYS 127 6.331 13.266 24.707 936 HG CYS 127 HG CYS 127 6.930 12.973 27.094 937 H LEU 128 H LEU 128 2.933 10.512 24.937 938 HA LEU 128 HA LEU 128 1.633 12.991 25.790 939 HB2 LEU 128 HB3 LEU 128 0.489 11.762 24.080 940 HB3 LEU 128 HB2 LEU 128 0.650 10.245 24.950 941 HG LEU 128 HG LEU 128 -0.857 12.462 26.327 942 HD11 LEU 128 HD11 LEU 128 -2.958 11.675 25.146 943 HD12 LEU 128 HD12 LEU 128 -1.906 10.903 23.959 944 HD13 LEU 128 HD13 LEU 128 -1.864 12.654 24.169 945 HD21 LEU 128 HD21 LEU 128 -0.616 10.375 27.514 946 HD22 LEU 128 HD22 LEU 128 -1.098 9.448 26.104 947 HD23 LEU 128 HD23 LEU 128 -2.283 10.442 26.951 948 H THR 129 H THR 129 0.373 13.062 27.763 949 HA THR 129 HA THR 129 1.714 11.633 29.922 950 HB THR 129 HB THR 129 -0.389 13.815 30.001 951 HG1 THR 129 HG1 THR 129 2.398 13.945 30.462 952 HG21 THR 129 HG21 THR 129 0.198 14.076 32.333 953 HG22 THR 129 HG22 THR 129 1.481 12.874 32.194 954 HG23 THR 129 HG23 THR 129 -0.207 12.379 32.077 955 H LEU 130 H LEU 130 0.953 9.973 31.004 956 HA LEU 130 HA LEU 130 -1.756 8.991 30.410 957 HB2 LEU 130 HB3 LEU 130 0.030 7.421 29.941 958 HB3 LEU 130 HB2 LEU 130 0.714 7.647 31.535 959 HG LEU 130 HG LEU 130 -0.574 5.484 31.134 960 HD11 LEU 130 HD11 LEU 130 -0.076 6.637 33.405 961 HD12 LEU 130 HD12 LEU 130 -1.233 5.315 33.337 962 HD13 LEU 130 HD13 LEU 130 -1.810 6.967 33.431 963 HD21 LEU 130 HD21 LEU 130 -2.528 6.746 29.969 964 HD22 LEU 130 HD22 LEU 130 -3.095 7.062 31.609 965 HD23 LEU 130 HD23 LEU 130 -2.908 5.403 31.050 966 H ILE 131 H ILE 131 -3.290 9.042 31.872 967 HA ILE 131 HA ILE 131 -2.634 9.872 34.625 968 HB ILE 131 HB ILE 131 -5.323 9.855 33.238 969 HG12 ILE 131 HG13 ILE 131 -3.845 11.489 32.143 970 HG13 ILE 131 HG12 ILE 131 -5.085 12.317 33.071 971 HG21 ILE 131 HG21 ILE 131 -4.374 10.715 35.962 972 HG22 ILE 131 HG22 ILE 131 -5.811 9.796 35.513 973 HG23 ILE 131 HG23 ILE 131 -5.755 11.533 35.219 974 HD11 ILE 131 HD11 ILE 131 -2.848 13.360 33.357 975 HD12 ILE 131 HD12 ILE 131 -2.239 11.839 34.012 976 HD13 ILE 131 HD13 ILE 131 -3.481 12.738 34.883 977 HA PRO 132 HA PRO 132 -3.630 5.589 35.689 978 HB2 PRO 132 HB3 PRO 132 -3.543 6.257 38.508 979 HB3 PRO 132 HB2 PRO 132 -2.355 5.362 37.553 980 HG2 PRO 132 HG3 PRO 132 -2.011 7.900 38.599 981 HG3 PRO 132 HG2 PRO 132 -1.027 7.160 37.337 982 HD2 PRO 132 HD3 PRO 132 -3.127 9.224 37.180 983 HD3 PRO 132 HD2 PRO 132 -1.736 8.918 36.117 984 H ALA 133 H ALA 133 -5.779 5.277 35.178 985 HA ALA 133 HA ALA 133 -7.954 6.723 36.220 986 HB1 ALA 133 HB1 ALA 133 -7.682 4.048 34.876 987 HB2 ALA 133 HB2 ALA 133 -8.401 5.535 34.252 988 HB3 ALA 133 HB3 ALA 133 -9.247 4.595 35.482 989 H GLU 134 H GLU 134 -6.663 3.530 37.145 990 HA GLU 134 HA GLU 134 -7.130 3.809 39.904 991 HB2 GLU 134 HB3 GLU 134 -9.534 3.715 39.191 992 HB3 GLU 134 HB2 GLU 134 -9.223 2.126 38.499 993 HG2 GLU 134 HG3 GLU 134 -8.581 1.268 40.713 994 HG3 GLU 134 HG2 GLU 134 -8.819 2.863 41.417 995 H GLU 135 H GLU 135 -7.701 1.149 37.579 996 HA GLU 135 HA GLU 135 -6.786 -0.939 37.395 997 HB2 GLU 135 HB3 GLU 135 -4.277 0.601 38.116 998 HB3 GLU 135 HB2 GLU 135 -4.306 -1.017 37.421 999 HG2 GLU 135 HG3 GLU 135 -5.479 1.460 36.117 1000 HG3 GLU 135 HG2 GLU 135 -3.938 0.726 35.689 1001 H SER 136 H SER 136 -8.111 -0.699 39.682 1002 HA SER 136 HA SER 136 -6.714 -1.216 42.079 1003 HB2 SER 136 HB3 SER 136 -8.990 -2.334 42.696 1004 HB3 SER 136 HB2 SER 136 -8.937 -0.598 42.399 1005 HG SER 136 HG SER 136 -10.597 -1.406 41.184 Start of MODEL 16 1 H MET 1 H1 MET 1 -4.537 26.639 33.530 2 HA MET 1 HA MET 1 -6.493 25.943 32.394 3 HB2 MET 1 HB3 MET 1 -8.739 26.435 33.406 4 HB3 MET 1 HB2 MET 1 -7.830 25.199 34.270 5 HG2 MET 1 HG3 MET 1 -7.069 26.968 35.883 6 HG3 MET 1 HG2 MET 1 -8.134 28.113 35.071 7 HE1 MET 1 HE1 MET 1 -9.224 24.471 37.605 8 HE2 MET 1 HE2 MET 1 -7.630 25.082 37.168 9 HE3 MET 1 HE3 MET 1 -8.596 24.224 35.970 10 H THR 2 H THR 2 -5.031 27.731 31.585 11 HA THR 2 HA THR 2 -6.575 30.250 31.416 12 HB THR 2 HB THR 2 -4.448 31.488 31.277 13 HG1 THR 2 HG1 THR 2 -2.534 30.402 31.691 14 HG21 THR 2 HG21 THR 2 -4.389 29.765 33.758 15 HG22 THR 2 HG22 THR 2 -5.637 30.984 33.493 16 HG23 THR 2 HG23 THR 2 -3.943 31.465 33.599 17 H ASN 3 H ASN 3 -6.095 31.499 29.437 18 HA ASN 3 HA ASN 3 -6.400 29.962 27.103 19 HB2 ASN 3 HB3 ASN 3 -7.032 32.401 27.470 20 HB3 ASN 3 HB2 ASN 3 -5.335 32.790 27.219 21 HD21 ASN 3 HD21 ASN 3 -5.851 33.970 25.248 22 HD22 ASN 3 HD22 ASN 3 -6.283 33.155 23.828 23 H PHE 4 H PHE 4 -4.954 28.776 26.032 24 HA PHE 4 HA PHE 4 -2.132 28.991 26.610 25 HB2 PHE 4 HB3 PHE 4 -3.695 27.197 24.750 26 HB3 PHE 4 HB2 PHE 4 -1.953 27.081 25.001 27 HD1 PHE 4 HD1 PHE 4 -5.267 26.722 26.602 28 HD2 PHE 4 HD2 PHE 4 -1.030 26.195 27.057 29 HE1 PHE 4 HE1 PHE 4 -5.653 25.370 28.644 30 HE2 PHE 4 HE2 PHE 4 -1.415 24.848 29.101 31 HZ PHE 4 HZ PHE 4 -3.728 24.434 29.895 32 H LYS 5 H LYS 5 -4.218 30.388 24.310 33 HA LYS 5 HA LYS 5 -2.576 30.536 22.022 34 HB2 LYS 5 HB3 LYS 5 -4.665 32.527 22.956 35 HB3 LYS 5 HB2 LYS 5 -4.047 32.360 21.315 36 HG2 LYS 5 HG3 LYS 5 -5.463 30.132 22.807 37 HG3 LYS 5 HG2 LYS 5 -6.272 31.227 21.693 38 HD2 LYS 5 HD3 LYS 5 -4.969 30.428 19.830 39 HD3 LYS 5 HD2 LYS 5 -3.900 29.513 20.894 40 HE2 LYS 5 HE3 LYS 5 -5.777 28.118 21.610 41 HE3 LYS 5 HE2 LYS 5 -6.861 29.015 20.544 42 HZ1 LYS 5 HZ1 LYS 5 -5.955 28.090 18.683 43 HZ2 LYS 5 HZ2 LYS 5 -5.719 26.802 19.766 44 HZ3 LYS 5 HZ3 LYS 5 -4.433 27.848 19.392 45 H LEU 6 H LEU 6 -2.818 32.514 24.905 46 HA LEU 6 HA LEU 6 -1.201 34.676 23.952 47 HB2 LEU 6 HB3 LEU 6 -1.961 33.920 26.785 48 HB3 LEU 6 HB2 LEU 6 -1.302 35.468 26.272 49 HG LEU 6 HG LEU 6 -3.936 34.294 25.314 50 HD11 LEU 6 HD11 LEU 6 -5.028 35.845 26.760 51 HD12 LEU 6 HD12 LEU 6 -3.516 36.675 27.128 52 HD13 LEU 6 HD13 LEU 6 -3.801 35.048 27.743 53 HD21 LEU 6 HD21 LEU 6 -3.167 35.732 23.589 54 HD22 LEU 6 HD22 LEU 6 -2.498 36.894 24.738 55 HD23 LEU 6 HD23 LEU 6 -4.246 36.750 24.545 56 H ILE 7 H ILE 7 -0.401 31.547 25.039 57 HA ILE 7 HA ILE 7 1.968 32.025 26.489 58 HB ILE 7 HB ILE 7 1.217 29.650 24.759 59 HG12 ILE 7 HG13 ILE 7 1.027 30.015 27.765 60 HG13 ILE 7 HG12 ILE 7 -0.331 30.253 26.670 61 HG21 ILE 7 HG21 ILE 7 3.313 29.905 26.955 62 HG22 ILE 7 HG22 ILE 7 3.657 29.755 25.234 63 HG23 ILE 7 HG23 ILE 7 2.898 28.420 26.097 64 HD11 ILE 7 HD11 ILE 7 1.268 27.690 26.870 65 HD12 ILE 7 HD12 ILE 7 -0.198 27.946 25.922 66 HD13 ILE 7 HD13 ILE 7 -0.273 27.962 27.684 67 H THR 8 H THR 8 4.045 32.256 25.909 68 HA THR 8 HA THR 8 4.604 33.264 23.253 69 HB THR 8 HB THR 8 6.817 33.795 24.205 70 HG1 THR 8 HG1 THR 8 5.748 32.388 26.398 71 HG21 THR 8 HG21 THR 8 5.019 35.419 24.497 72 HG22 THR 8 HG22 THR 8 6.033 35.393 25.940 73 HG23 THR 8 HG23 THR 8 4.469 34.578 25.947 74 H ASP 9 H ASP 9 6.604 32.540 22.124 75 HA ASP 9 HA ASP 9 6.481 29.790 21.565 76 HB2 ASP 9 HB3 ASP 9 8.559 31.881 20.915 77 HB3 ASP 9 HB2 ASP 9 8.665 30.226 20.332 78 H THR 10 H THR 10 8.701 31.667 23.602 79 HA THR 10 HA THR 10 10.521 29.582 24.179 80 HB THR 10 HB THR 10 9.753 31.973 25.888 81 HG1 THR 10 HG1 THR 10 11.616 32.856 24.884 82 HG21 THR 10 HG21 THR 10 11.021 30.064 27.042 83 HG22 THR 10 HG22 THR 10 11.823 31.638 27.061 84 HG23 THR 10 HG23 THR 10 12.345 30.398 25.921 85 H GLU 11 H GLU 11 7.585 30.693 25.868 86 HA GLU 11 HA GLU 11 7.722 28.919 28.035 87 HB2 GLU 11 HB3 GLU 11 5.370 30.244 26.694 88 HB3 GLU 11 HB2 GLU 11 5.228 29.286 28.164 89 HG2 GLU 11 HG3 GLU 11 6.745 30.757 29.344 90 HG3 GLU 11 HG2 GLU 11 7.105 31.642 27.870 91 H TRP 12 H TRP 12 6.363 28.522 24.787 92 HA TRP 12 HA TRP 12 5.120 26.014 25.253 93 HB2 TRP 12 HB3 TRP 12 6.035 27.514 22.826 94 HB3 TRP 12 HB2 TRP 12 5.625 25.811 22.656 95 HD1 TRP 12 HD1 TRP 12 4.073 29.116 22.542 96 HE1 TRP 12 HE1 TRP 12 1.503 28.913 22.696 97 HE3 TRP 12 HE3 TRP 12 3.673 24.294 24.164 98 HZ2 TRP 12 HZ2 TRP 12 -0.464 26.948 23.411 99 HZ3 TRP 12 HZ3 TRP 12 1.453 23.277 24.563 100 HH2 TRP 12 HH2 TRP 12 -0.617 24.591 24.184 101 H ARG 13 H ARG 13 8.397 26.911 24.243 102 HA ARG 13 HA ARG 13 9.325 24.310 23.633 103 HB2 ARG 13 HB3 ARG 13 10.769 26.812 24.499 104 HB3 ARG 13 HB2 ARG 13 11.599 25.337 24.005 105 HG2 ARG 13 HG3 ARG 13 10.506 25.429 21.812 106 HG3 ARG 13 HG2 ARG 13 9.606 26.862 22.307 107 HD2 ARG 13 HD3 ARG 13 11.532 27.545 20.981 108 HD3 ARG 13 HD2 ARG 13 11.754 28.064 22.649 109 HE ARG 13 HE ARG 13 12.925 25.497 22.245 110 HH11 ARG 13 HH11 ARG 13 13.456 28.892 21.545 111 HH12 ARG 13 HH12 ARG 13 15.177 28.723 21.465 112 HH21 ARG 13 HH21 ARG 13 15.165 25.326 22.133 113 HH22 ARG 13 HH22 ARG 13 16.136 26.721 21.796 114 H GLN 14 H GLN 14 9.401 26.214 26.620 115 HA GLN 14 HA GLN 14 10.748 24.092 28.074 116 HB2 GLN 14 HB3 GLN 14 10.356 25.655 30.071 117 HB3 GLN 14 HB2 GLN 14 11.423 26.224 28.794 118 HG2 GLN 14 HG3 GLN 14 10.064 27.939 28.237 119 HG3 GLN 14 HG2 GLN 14 8.608 26.981 28.382 120 HE21 GLN 14 HE21 GLN 14 8.906 29.690 29.372 121 HE22 GLN 14 HE22 GLN 14 8.719 29.632 31.057 122 H ARG 15 H ARG 15 7.491 25.062 27.464 123 HA ARG 15 HA ARG 15 6.195 23.923 29.718 124 HB2 ARG 15 HB3 ARG 15 5.403 24.821 26.984 125 HB3 ARG 15 HB2 ARG 15 4.288 23.745 27.826 126 HG2 ARG 15 HG3 ARG 15 3.996 25.272 29.616 127 HG3 ARG 15 HG2 ARG 15 5.397 26.232 29.148 128 HD2 ARG 15 HD3 ARG 15 4.254 26.927 27.102 129 HD3 ARG 15 HD2 ARG 15 2.869 25.920 27.504 130 HE ARG 15 HE ARG 15 3.571 28.485 28.706 131 HH11 ARG 15 HH11 ARG 15 1.616 25.586 28.945 132 HH12 ARG 15 HH12 ARG 15 0.448 26.325 29.988 133 HH21 ARG 15 HH21 ARG 15 2.031 29.404 30.058 134 HH22 ARG 15 HH22 ARG 15 0.682 28.468 30.612 135 H LEU 16 H LEU 16 7.044 22.649 26.534 136 HA LEU 16 HA LEU 16 6.638 19.924 27.551 137 HB2 LEU 16 HB3 LEU 16 5.614 19.446 25.173 138 HB3 LEU 16 HB2 LEU 16 4.603 20.051 26.475 139 HG LEU 16 HG LEU 16 5.023 22.401 25.553 140 HD11 LEU 16 HD11 LEU 16 7.028 21.841 24.227 141 HD12 LEU 16 HD12 LEU 16 5.765 22.549 23.220 142 HD13 LEU 16 HD13 LEU 16 6.045 20.809 23.190 143 HD21 LEU 16 HD21 LEU 16 2.989 20.871 25.106 144 HD22 LEU 16 HD22 LEU 16 3.700 20.618 23.518 145 HD23 LEU 16 HD23 LEU 16 3.239 22.239 24.026 146 H SER 17 H SER 17 7.286 18.301 25.747 147 HA SER 17 HA SER 17 10.059 18.497 25.362 148 HB2 SER 17 HB3 SER 17 7.974 16.718 24.099 149 HB3 SER 17 HB2 SER 17 9.701 16.518 23.815 150 HG SER 17 HG SER 17 8.287 15.593 25.819 151 H SER 18 H SER 18 11.290 18.576 23.421 152 HA SER 18 HA SER 18 10.658 20.708 21.687 153 HB2 SER 18 HB3 SER 18 12.641 18.442 21.378 154 HB3 SER 18 HB2 SER 18 12.567 19.845 20.315 155 HG SER 18 HG SER 18 12.785 21.108 22.308 156 H GLU 19 H GLU 19 10.341 17.192 21.361 157 HA GLU 19 HA GLU 19 9.464 17.170 18.672 158 HB2 GLU 19 HB3 GLU 19 8.575 14.924 19.228 159 HB3 GLU 19 HB2 GLU 19 10.234 15.122 19.764 160 HG2 GLU 19 HG3 GLU 19 9.267 15.738 22.034 161 HG3 GLU 19 HG2 GLU 19 7.707 15.207 21.429 162 H GLU 20 H GLU 20 7.751 17.328 21.758 163 HA GLU 20 HA GLU 20 5.119 17.258 20.782 164 HB2 GLU 20 HB3 GLU 20 5.872 16.965 23.179 165 HB3 GLU 20 HB2 GLU 20 6.068 18.714 23.252 166 HG2 GLU 20 HG3 GLU 20 3.878 18.304 24.087 167 HG3 GLU 20 HG2 GLU 20 3.647 18.868 22.434 168 H TYR 21 H TYR 21 7.401 19.880 21.316 169 HA TYR 21 HA TYR 21 5.724 22.100 20.997 170 HB2 TYR 21 HB3 TYR 21 8.002 22.220 21.895 171 HB3 TYR 21 HB2 TYR 21 8.667 21.721 20.348 172 HD1 TYR 21 HD1 TYR 21 7.214 24.498 22.263 173 HD2 TYR 21 HD2 TYR 21 8.643 23.241 18.413 174 HE1 TYR 21 HE1 TYR 21 7.305 26.860 21.521 175 HE2 TYR 21 HE2 TYR 21 8.740 25.605 17.675 176 HH TYR 21 HH TYR 21 8.826 27.797 18.543 177 H ARG 22 H ARG 22 7.762 20.439 18.540 178 HA ARG 22 HA ARG 22 6.853 22.114 16.410 179 HB2 ARG 22 HB3 ARG 22 8.196 20.752 14.962 180 HB3 ARG 22 HB2 ARG 22 9.082 20.981 16.466 181 HG2 ARG 22 HG3 ARG 22 8.277 18.748 17.236 182 HG3 ARG 22 HG2 ARG 22 7.484 18.523 15.685 183 HD2 ARG 22 HD3 ARG 22 10.450 19.036 16.010 184 HD3 ARG 22 HD2 ARG 22 9.739 17.438 15.801 185 HE ARG 22 HE ARG 22 8.795 19.005 13.699 186 HH11 ARG 22 HH11 ARG 22 11.904 17.863 14.848 187 HH12 ARG 22 HH12 ARG 22 12.611 17.850 13.267 188 HH21 ARG 22 HH21 ARG 22 9.754 18.971 11.663 189 HH22 ARG 22 HH22 ARG 22 11.403 18.471 11.479 190 H VAL 23 H VAL 23 5.880 18.899 17.536 191 HA VAL 23 HA VAL 23 4.324 18.272 15.286 192 HB VAL 23 HB VAL 23 3.328 16.492 16.602 193 HG11 VAL 23 HG11 VAL 23 5.252 15.411 16.105 194 HG12 VAL 23 HG12 VAL 23 5.908 15.913 17.650 195 HG13 VAL 23 HG13 VAL 23 6.193 16.892 16.213 196 HG21 VAL 23 HG21 VAL 23 2.998 17.652 18.663 197 HG22 VAL 23 HG22 VAL 23 4.728 17.920 18.832 198 HG23 VAL 23 HG23 VAL 23 4.074 16.289 18.975 199 H LEU 24 H LEU 24 3.573 20.024 18.217 200 HA LEU 24 HA LEU 24 0.735 20.178 17.667 201 HB2 LEU 24 HB3 LEU 24 2.470 21.668 19.656 202 HB3 LEU 24 HB2 LEU 24 0.715 21.788 19.584 203 HG LEU 24 HG LEU 24 2.236 19.195 20.038 204 HD11 LEU 24 HD11 LEU 24 0.709 20.891 22.034 205 HD12 LEU 24 HD12 LEU 24 2.464 20.906 21.873 206 HD13 LEU 24 HD13 LEU 24 1.635 19.430 22.374 207 HD21 LEU 24 HD21 LEU 24 -0.128 18.546 20.916 208 HD22 LEU 24 HD22 LEU 24 0.099 18.632 19.171 209 HD23 LEU 24 HD23 LEU 24 -0.694 19.957 20.020 210 H ARG 25 H ARG 25 3.565 22.227 17.133 211 HA ARG 25 HA ARG 25 2.119 24.599 16.523 212 HB2 ARG 25 HB3 ARG 25 4.449 24.619 17.296 213 HB3 ARG 25 HB2 ARG 25 4.955 23.843 15.797 214 HG2 ARG 25 HG3 ARG 25 4.188 25.766 14.494 215 HG3 ARG 25 HG2 ARG 25 3.549 26.532 15.950 216 HD2 ARG 25 HD3 ARG 25 6.464 25.798 15.585 217 HD3 ARG 25 HD2 ARG 25 5.807 27.394 15.230 218 HE ARG 25 HE ARG 25 6.240 26.240 17.864 219 HH11 ARG 25 HH11 ARG 25 4.616 28.730 16.007 220 HH12 ARG 25 HH12 ARG 25 4.366 29.754 17.381 221 HH21 ARG 25 HH21 ARG 25 5.883 27.602 19.628 222 HH22 ARG 25 HH22 ARG 25 5.079 29.120 19.411 223 H GLU 26 H GLU 26 3.730 22.232 14.344 224 HA GLU 26 HA GLU 26 1.987 23.239 12.177 225 HB2 GLU 26 HB3 GLU 26 3.889 23.094 10.611 226 HB3 GLU 26 HB2 GLU 26 4.183 24.261 11.898 227 HG2 GLU 26 HG3 GLU 26 5.483 22.525 13.134 228 HG3 GLU 26 HG2 GLU 26 5.244 21.418 11.787 229 H ALA 27 H ALA 27 1.769 20.798 13.838 230 HA ALA 27 HA ALA 27 1.274 18.565 13.560 231 HB1 ALA 27 HB1 ALA 27 -0.299 18.850 11.915 232 HB2 ALA 27 HB2 ALA 27 0.905 18.008 10.945 233 HB3 ALA 27 HB3 ALA 27 0.794 19.765 10.878 234 H GLY 28 H GLY 28 3.925 19.263 13.805 235 HA2 GLY 28 HA3 GLY 28 5.949 18.557 12.278 236 HA3 GLY 28 HA2 GLY 28 5.879 18.037 13.924 237 H THR 29 H THR 29 4.826 15.996 14.369 238 HA THR 29 HA THR 29 4.308 14.035 12.384 239 HB THR 29 HB THR 29 6.753 13.214 13.890 240 HG1 THR 29 HG1 THR 29 8.144 14.309 12.580 241 HG21 THR 29 HG21 THR 29 7.277 12.361 11.492 242 HG22 THR 29 HG22 THR 29 5.604 12.794 11.139 243 HG23 THR 29 HG23 THR 29 5.961 11.597 12.382 244 H GLU 30 H GLU 30 5.216 11.794 14.151 245 HA GLU 30 HA GLU 30 4.117 12.261 16.767 246 HB2 GLU 30 HB3 GLU 30 2.252 10.535 16.439 247 HB3 GLU 30 HB2 GLU 30 1.971 12.123 15.757 248 HG2 GLU 30 HG3 GLU 30 1.691 11.243 13.710 249 HG3 GLU 30 HG2 GLU 30 3.273 10.470 13.773 250 H ALA 31 H ALA 31 6.506 11.441 16.597 251 HA ALA 31 HA ALA 31 6.635 8.506 16.442 252 HB1 ALA 31 HB1 ALA 31 9.100 8.876 16.583 253 HB2 ALA 31 HB2 ALA 31 8.793 10.614 16.576 254 HB3 ALA 31 HB3 ALA 31 8.342 9.632 15.181 255 HA PRO 32 HA PRO 32 6.626 8.600 21.004 256 HB2 PRO 32 HB3 PRO 32 6.239 5.949 21.377 257 HB3 PRO 32 HB2 PRO 32 4.929 7.031 20.860 258 HG2 PRO 32 HG3 PRO 32 6.636 5.228 19.194 259 HG3 PRO 32 HG2 PRO 32 4.884 5.447 19.159 260 HD2 PRO 32 HD3 PRO 32 6.531 6.642 17.395 261 HD3 PRO 32 HD2 PRO 32 5.014 7.384 17.947 262 H HIS 33 H HIS 33 7.732 6.607 22.524 263 HA HIS 33 HA HIS 33 9.706 5.819 23.368 264 HB2 HIS 33 HB3 HIS 33 10.312 5.477 20.426 265 HB3 HIS 33 HB2 HIS 33 11.344 4.865 21.720 266 HD1 HIS 33 HD1 HIS 33 10.388 2.939 23.209 267 HD2 HIS 33 HD2 HIS 33 7.892 4.061 20.075 268 HE1 HIS 33 HE1 HIS 33 8.618 1.135 23.026 269 HE2 HIS 33 HE2 HIS 33 7.090 1.803 21.110 270 H THR 34 H THR 34 9.395 8.581 23.165 271 HA THR 34 HA THR 34 12.170 9.515 22.723 272 HB THR 34 HB THR 34 11.085 11.776 22.402 273 HG1 THR 34 HG1 THR 34 8.764 10.197 22.051 274 HG21 THR 34 HG21 THR 34 10.070 9.807 20.359 275 HG22 THR 34 HG22 THR 34 11.800 10.104 20.548 276 HG23 THR 34 HG23 THR 34 10.722 11.427 20.104 277 H GLY 35 H GLY 35 10.625 8.426 25.193 278 HA2 GLY 35 HA3 GLY 35 11.809 10.126 27.121 279 HA3 GLY 35 HA2 GLY 35 10.066 10.391 27.048 280 H GLU 36 H GLU 36 11.896 9.128 29.052 281 HA GLU 36 HA GLU 36 11.317 6.343 29.154 282 HB2 GLU 36 HB3 GLU 36 12.451 6.433 31.269 283 HB3 GLU 36 HB2 GLU 36 13.254 7.497 30.114 284 HG2 GLU 36 HG3 GLU 36 12.055 9.443 31.074 285 HG3 GLU 36 HG2 GLU 36 11.327 8.378 32.274 286 H TYR 37 H TYR 37 9.576 9.144 30.083 287 HA TYR 37 HA TYR 37 7.903 7.928 32.086 288 HB2 TYR 37 HB3 TYR 37 7.613 10.485 30.496 289 HB3 TYR 37 HB2 TYR 37 6.529 10.000 31.800 290 HD1 TYR 37 HD1 TYR 37 9.895 11.195 30.948 291 HD2 TYR 37 HD2 TYR 37 7.317 9.895 34.128 292 HE1 TYR 37 HE1 TYR 37 11.483 12.120 32.613 293 HE2 TYR 37 HE2 TYR 37 8.905 10.820 35.793 294 HH TYR 37 HH TYR 37 12.070 11.935 34.892 295 H THR 38 H THR 38 7.997 7.604 28.715 296 HA THR 38 HA THR 38 5.252 7.531 28.034 297 HB THR 38 HB THR 38 6.016 6.209 26.080 298 HG1 THR 38 HG1 THR 38 7.655 5.094 27.339 299 HG21 THR 38 HG21 THR 38 6.222 8.529 25.740 300 HG22 THR 38 HG22 THR 38 7.824 7.910 25.342 301 HG23 THR 38 HG23 THR 38 7.540 8.678 26.905 302 H ASN 39 H ASN 39 7.394 5.192 29.533 303 HA ASN 39 HA ASN 39 5.562 2.964 29.206 304 HB2 ASN 39 HB3 ASN 39 8.043 2.671 29.254 305 HB3 ASN 39 HB2 ASN 39 8.035 3.183 30.940 306 HD21 ASN 39 HD21 ASN 39 8.694 0.478 29.668 307 HD22 ASN 39 HD22 ASN 39 7.704 -0.626 30.493 308 H THR 40 H THR 40 3.755 2.914 30.365 309 HA THR 40 HA THR 40 3.873 3.685 33.222 310 HB THR 40 HB THR 40 1.538 4.460 33.025 311 HG1 THR 40 HG1 THR 40 1.895 4.180 30.237 312 HG21 THR 40 HG21 THR 40 3.408 5.744 31.012 313 HG22 THR 40 HG22 THR 40 3.379 6.080 32.744 314 HG23 THR 40 HG23 THR 40 1.995 6.511 31.739 315 H THR 41 H THR 41 2.366 2.574 34.600 316 HA THR 41 HA THR 41 1.675 -0.126 33.602 317 HB THR 41 HB THR 41 1.912 -0.831 35.970 318 HG1 THR 41 HG1 THR 41 1.617 1.365 36.758 319 HG21 THR 41 HG21 THR 41 3.777 -1.261 34.544 320 HG22 THR 41 HG22 THR 41 4.448 -0.538 36.006 321 HG23 THR 41 HG23 THR 41 4.256 0.437 34.548 322 H THR 42 H THR 42 0.107 2.615 34.057 323 HA THR 42 HA THR 42 -2.201 1.371 35.430 324 HB THR 42 HB THR 42 -1.564 4.322 35.227 325 HG1 THR 42 HG1 THR 42 -0.860 4.133 37.314 326 HG21 THR 42 HG21 THR 42 -3.388 4.661 36.703 327 HG22 THR 42 HG22 THR 42 -3.483 2.949 37.102 328 HG23 THR 42 HG23 THR 42 -3.993 3.510 35.510 329 H GLU 43 H GLU 43 -4.160 1.479 34.453 330 HA GLU 43 HA GLU 43 -4.185 2.314 31.628 331 HB2 GLU 43 HB3 GLU 43 -6.099 0.518 33.158 332 HB3 GLU 43 HB2 GLU 43 -6.204 0.893 31.439 333 HG2 GLU 43 HG3 GLU 43 -3.978 -0.123 31.083 334 HG3 GLU 43 HG2 GLU 43 -3.882 -0.508 32.800 335 H GLY 44 H GLY 44 -4.259 4.520 32.377 336 HA2 GLY 44 HA3 GLY 44 -6.819 5.334 33.542 337 HA3 GLY 44 HA2 GLY 44 -5.348 6.266 33.579 338 H ILE 45 H ILE 45 -6.011 8.126 32.660 339 HA ILE 45 HA ILE 45 -7.246 7.975 29.978 340 HB ILE 45 HB ILE 45 -7.463 10.104 32.127 341 HG12 ILE 45 HG13 ILE 45 -9.681 8.405 30.952 342 HG13 ILE 45 HG12 ILE 45 -8.732 7.836 32.322 343 HG21 ILE 45 HG21 ILE 45 -7.486 10.915 29.679 344 HG22 ILE 45 HG22 ILE 45 -8.901 11.322 30.654 345 HG23 ILE 45 HG23 ILE 45 -8.980 9.987 29.505 346 HD11 ILE 45 HD11 ILE 45 -10.070 10.541 32.333 347 HD12 ILE 45 HD12 ILE 45 -9.444 9.622 33.704 348 HD13 ILE 45 HD13 ILE 45 -10.902 9.081 32.870 349 H TYR 46 H TYR 46 -6.359 8.997 28.333 350 HA TYR 46 HA TYR 46 -3.641 9.810 28.424 351 HB2 TYR 46 HB3 TYR 46 -5.829 9.775 26.375 352 HB3 TYR 46 HB2 TYR 46 -4.334 10.625 26.012 353 HD1 TYR 46 HD1 TYR 46 -5.490 7.333 27.416 354 HD2 TYR 46 HD2 TYR 46 -2.619 9.413 24.992 355 HE1 TYR 46 HE1 TYR 46 -4.422 5.176 26.832 356 HE2 TYR 46 HE2 TYR 46 -1.545 7.253 24.412 357 HH TYR 46 HH TYR 46 -1.499 4.805 25.759 358 H SER 47 H SER 47 -2.731 11.837 28.497 359 HA SER 47 HA SER 47 -4.545 14.127 28.380 360 HB2 SER 47 HB3 SER 47 -3.458 15.176 30.326 361 HB3 SER 47 HB2 SER 47 -4.285 13.686 30.752 362 HG SER 47 HG SER 47 -2.133 13.891 31.610 363 H CYS 48 H CYS 48 -3.877 15.667 27.159 364 HA CYS 48 HA CYS 48 -1.546 15.660 25.601 365 HB2 CYS 48 HB3 CYS 48 -3.705 16.841 25.102 366 HB3 CYS 48 HB2 CYS 48 -3.322 18.013 26.340 367 H ARG 49 H ARG 49 0.475 16.312 26.057 368 HA ARG 49 HA ARG 49 1.276 17.098 28.643 369 HB2 ARG 49 HB3 ARG 49 2.738 15.978 26.950 370 HB3 ARG 49 HB2 ARG 49 2.799 17.496 26.058 371 HG2 ARG 49 HG3 ARG 49 3.788 18.624 28.010 372 HG3 ARG 49 HG2 ARG 49 3.701 17.123 28.932 373 HD2 ARG 49 HD3 ARG 49 5.262 17.478 26.358 374 HD3 ARG 49 HD2 ARG 49 5.966 17.527 27.972 375 HE ARG 49 HE ARG 49 5.073 15.163 26.536 376 HH11 ARG 49 HH11 ARG 49 5.871 16.521 29.670 377 HH12 ARG 49 HH12 ARG 49 6.187 14.976 30.386 378 HH21 ARG 49 HH21 ARG 49 5.491 13.177 27.513 379 HH22 ARG 49 HH22 ARG 49 5.977 13.101 29.173 380 H ALA 50 H ALA 50 0.475 18.937 25.759 381 HA ALA 50 HA ALA 50 1.517 21.444 26.453 382 HB1 ALA 50 HB1 ALA 50 -0.871 20.674 24.782 383 HB2 ALA 50 HB2 ALA 50 0.783 20.978 24.215 384 HB3 ALA 50 HB3 ALA 50 -0.198 22.304 24.848 385 H CYS 51 H CYS 51 -1.815 20.225 26.960 386 HA CYS 51 HA CYS 51 -2.212 22.441 28.888 387 HB2 CYS 51 HB3 CYS 51 -4.744 21.944 28.262 388 HB3 CYS 51 HB2 CYS 51 -3.754 23.035 27.302 389 H GLY 52 H GLY 52 -2.897 19.056 28.195 390 HA2 GLY 52 HA3 GLY 52 -2.827 17.370 29.893 391 HA3 GLY 52 HA2 GLY 52 -3.274 18.585 31.081 392 H THR 53 H THR 53 -4.868 18.321 27.969 393 HA THR 53 HA THR 53 -7.433 17.950 29.296 394 HB THR 53 HB THR 53 -7.710 17.640 26.468 395 HG1 THR 53 HG1 THR 53 -6.638 19.610 25.848 396 HG21 THR 53 HG21 THR 53 -8.023 20.267 27.850 397 HG22 THR 53 HG22 THR 53 -9.083 18.921 28.279 398 HG23 THR 53 HG23 THR 53 -9.045 19.521 26.622 399 H GLU 54 H GLU 54 -8.885 16.165 28.982 400 HA GLU 54 HA GLU 54 -7.517 13.640 28.746 401 HB2 GLU 54 HB3 GLU 54 -10.459 14.240 29.114 402 HB3 GLU 54 HB2 GLU 54 -9.720 12.650 29.264 403 HG2 GLU 54 HG3 GLU 54 -8.214 13.773 31.055 404 HG3 GLU 54 HG2 GLU 54 -9.415 15.055 31.010 405 H LEU 55 H LEU 55 -6.808 14.168 26.534 406 HA LEU 55 HA LEU 55 -8.491 14.455 24.323 407 HB2 LEU 55 HB3 LEU 55 -5.699 13.436 24.730 408 HB3 LEU 55 HB2 LEU 55 -6.447 13.257 23.151 409 HG LEU 55 HG LEU 55 -6.780 15.677 22.992 410 HD11 LEU 55 HD11 LEU 55 -7.194 16.132 25.376 411 HD12 LEU 55 HD12 LEU 55 -5.988 17.213 24.703 412 HD13 LEU 55 HD13 LEU 55 -5.485 15.863 25.703 413 HD21 LEU 55 HD21 LEU 55 -4.614 14.871 22.265 414 HD22 LEU 55 HD22 LEU 55 -4.011 14.950 23.922 415 HD23 LEU 55 HD23 LEU 55 -4.423 16.432 23.065 416 H PHE 56 H PHE 56 -7.322 11.512 25.907 417 HA PHE 56 HA PHE 56 -9.456 10.019 24.545 418 HB2 PHE 56 HB3 PHE 56 -6.539 9.199 24.526 419 HB3 PHE 56 HB2 PHE 56 -7.868 8.154 24.043 420 HD1 PHE 56 HD1 PHE 56 -5.801 11.033 23.134 421 HD2 PHE 56 HD2 PHE 56 -9.228 8.687 22.039 422 HE1 PHE 56 HE1 PHE 56 -5.771 12.047 20.871 423 HE2 PHE 56 HE2 PHE 56 -9.198 9.701 19.776 424 HZ PHE 56 HZ PHE 56 -7.470 11.380 19.192 425 H ARG 57 H ARG 57 -9.850 7.863 25.524 426 HA ARG 57 HA ARG 57 -8.952 7.692 28.328 427 HB2 ARG 57 HB3 ARG 57 -11.214 6.826 28.920 428 HB3 ARG 57 HB2 ARG 57 -11.250 8.498 28.371 429 HG2 ARG 57 HG3 ARG 57 -11.967 7.772 26.135 430 HG3 ARG 57 HG2 ARG 57 -11.882 6.086 26.642 431 HD2 ARG 57 HD3 ARG 57 -14.177 6.670 26.841 432 HD3 ARG 57 HD2 ARG 57 -13.551 6.704 28.481 433 HE ARG 57 HE ARG 57 -13.331 9.290 27.453 434 HH11 ARG 57 HH11 ARG 57 -15.816 6.995 28.375 435 HH12 ARG 57 HH12 ARG 57 -16.986 8.220 28.727 436 HH21 ARG 57 HH21 ARG 57 -14.939 10.856 27.844 437 HH22 ARG 57 HH22 ARG 57 -16.491 10.377 28.433 438 H SER 58 H SER 58 -8.732 5.561 29.139 439 HA SER 58 HA SER 58 -7.671 3.738 27.251 440 HB2 SER 58 HB3 SER 58 -7.304 2.262 29.167 441 HB3 SER 58 HB2 SER 58 -6.795 3.909 29.513 442 HG SER 58 HG SER 58 -8.986 2.447 30.464 443 H THR 59 H THR 59 -10.938 4.144 28.187 444 HA THR 59 HA THR 59 -11.604 1.314 27.912 445 HB THR 59 HB THR 59 -12.952 2.666 29.426 446 HG1 THR 59 HG1 THR 59 -14.415 1.310 28.828 447 HG21 THR 59 HG21 THR 59 -14.471 4.394 28.496 448 HG22 THR 59 HG22 THR 59 -13.685 4.206 26.925 449 HG23 THR 59 HG23 THR 59 -12.768 4.811 28.304 450 H GLU 60 H GLU 60 -11.596 4.168 25.882 451 HA GLU 60 HA GLU 60 -12.807 2.650 23.671 452 HB2 GLU 60 HB3 GLU 60 -12.661 5.507 24.416 453 HB3 GLU 60 HB2 GLU 60 -12.384 5.203 22.708 454 HG2 GLU 60 HG3 GLU 60 -14.712 5.432 22.758 455 HG3 GLU 60 HG2 GLU 60 -14.531 3.685 22.916 456 H LYS 61 H LYS 61 -9.929 2.503 24.803 457 HA LYS 61 HA LYS 61 -8.441 3.133 22.335 458 HB2 LYS 61 HB3 LYS 61 -7.544 4.114 24.397 459 HB3 LYS 61 HB2 LYS 61 -7.457 2.518 25.137 460 HG2 LYS 61 HG3 LYS 61 -5.853 1.811 23.368 461 HG3 LYS 61 HG2 LYS 61 -5.916 3.432 22.687 462 HD2 LYS 61 HD3 LYS 61 -3.969 3.402 24.061 463 HD3 LYS 61 HD2 LYS 61 -5.189 4.275 24.985 464 HE2 LYS 61 HE3 LYS 61 -5.695 2.286 26.296 465 HE3 LYS 61 HE2 LYS 61 -4.602 1.318 25.308 466 HZ1 LYS 61 HZ1 LYS 61 -3.886 2.464 27.595 467 HZ2 LYS 61 HZ2 LYS 61 -3.452 3.699 26.513 468 HZ3 LYS 61 HZ3 LYS 61 -2.797 2.142 26.335 469 H PHE 62 H PHE 62 -7.798 1.504 21.028 470 HA PHE 62 HA PHE 62 -8.071 -1.265 22.022 471 HB2 PHE 62 HB3 PHE 62 -9.361 -0.518 19.955 472 HB3 PHE 62 HB2 PHE 62 -7.803 -0.422 19.133 473 HD1 PHE 62 HD1 PHE 62 -10.228 -2.682 20.765 474 HD2 PHE 62 HD2 PHE 62 -6.533 -2.420 18.595 475 HE1 PHE 62 HE1 PHE 62 -10.266 -5.136 20.405 476 HE2 PHE 62 HE2 PHE 62 -6.571 -4.873 18.232 477 HZ PHE 62 HZ PHE 62 -8.438 -6.231 19.137 478 H ASN 63 H ASN 63 -5.899 0.826 20.108 479 HA ASN 63 HA ASN 63 -3.650 0.712 19.669 480 HB2 ASN 63 HB3 ASN 63 -3.735 0.864 22.217 481 HB3 ASN 63 HB2 ASN 63 -3.432 -0.871 22.229 482 HD21 ASN 63 HD21 ASN 63 -1.267 -0.796 23.046 483 HD22 ASN 63 HD22 ASN 63 0.010 -0.073 22.193 484 H SER 64 H SER 64 -4.891 -1.044 18.126 485 HA SER 64 HA SER 64 -4.267 -3.776 18.383 486 HB2 SER 64 HB3 SER 64 -4.754 -3.924 15.988 487 HB3 SER 64 HB2 SER 64 -5.942 -2.911 16.800 488 HG SER 64 HG SER 64 -5.052 -1.139 15.924 489 H HIS 65 H HIS 65 -2.427 -1.116 16.902 490 HA HIS 65 HA HIS 65 -0.084 -2.910 16.784 491 HB2 HIS 65 HB3 HIS 65 -0.979 -1.057 14.562 492 HB3 HIS 65 HB2 HIS 65 0.556 -1.925 14.599 493 HD1 HIS 65 HD1 HIS 65 0.250 -4.659 14.887 494 HD2 HIS 65 HD2 HIS 65 -3.024 -2.535 13.419 495 HE1 HIS 65 HE1 HIS 65 -1.277 -6.361 13.797 496 HE2 HIS 65 HE2 HIS 65 -3.279 -5.082 12.897 497 H CYS 66 H CYS 66 1.938 -1.900 16.973 498 HA CYS 66 HA CYS 66 2.054 0.270 18.759 499 HB2 CYS 66 HB3 CYS 66 4.159 -1.017 17.021 500 HB3 CYS 66 HB2 CYS 66 4.521 0.250 18.193 501 HG CYS 66 HG CYS 66 3.891 -1.320 20.110 502 H GLY 67 H GLY 67 2.535 0.135 15.239 503 HA2 GLY 67 HA3 GLY 67 3.111 2.993 15.116 504 HA3 GLY 67 HA2 GLY 67 3.097 1.871 13.760 505 H TRP 68 H TRP 68 1.622 4.506 14.875 506 HA TRP 68 HA TRP 68 -0.433 5.501 14.675 507 HB2 TRP 68 HB3 TRP 68 -0.318 3.863 12.130 508 HB3 TRP 68 HB2 TRP 68 -1.483 5.153 12.426 509 HD1 TRP 68 HD1 TRP 68 -0.192 7.560 13.285 510 HE1 TRP 68 HE1 TRP 68 1.858 8.692 12.196 511 HE3 TRP 68 HE3 TRP 68 1.689 3.591 10.682 512 HZ2 TRP 68 HZ2 TRP 68 3.991 7.989 10.412 513 HZ3 TRP 68 HZ3 TRP 68 3.721 3.852 9.288 514 HH2 TRP 68 HH2 TRP 68 4.873 6.042 9.149 515 HA PRO 69 HA PRO 69 -2.771 1.623 16.134 516 HB2 PRO 69 HB3 PRO 69 -3.266 2.526 18.691 517 HB3 PRO 69 HB2 PRO 69 -1.867 1.538 18.254 518 HG2 PRO 69 HG3 PRO 69 -2.051 4.478 18.652 519 HG3 PRO 69 HG2 PRO 69 -0.775 3.352 19.140 520 HD2 PRO 69 HD3 PRO 69 -0.524 4.956 16.967 521 HD3 PRO 69 HD2 PRO 69 0.203 3.334 17.034 522 H SER 70 H SER 70 -4.983 1.519 16.022 523 HA SER 70 HA SER 70 -6.441 3.965 15.504 524 HB2 SER 70 HB3 SER 70 -8.300 2.519 14.950 525 HB3 SER 70 HB2 SER 70 -6.840 1.880 14.205 526 HG SER 70 HG SER 70 -7.165 0.136 15.317 527 H PHE 71 H PHE 71 -8.413 4.537 16.607 528 HA PHE 71 HA PHE 71 -8.728 3.486 19.343 529 HB2 PHE 71 HB3 PHE 71 -8.654 6.458 18.763 530 HB3 PHE 71 HB2 PHE 71 -8.844 5.685 20.326 531 HD1 PHE 71 HD1 PHE 71 -6.507 7.149 18.104 532 HD2 PHE 71 HD2 PHE 71 -6.911 4.012 21.008 533 HE1 PHE 71 HE1 PHE 71 -4.049 7.116 18.407 534 HE2 PHE 71 HE2 PHE 71 -4.451 3.980 21.312 535 HZ PHE 71 HZ PHE 71 -3.020 5.533 20.013 536 H PHE 72 H PHE 72 -10.797 4.183 20.282 537 HA PHE 72 HA PHE 72 -12.886 4.330 18.232 538 HB2 PHE 72 HB3 PHE 72 -13.179 3.812 21.210 539 HB3 PHE 72 HB2 PHE 72 -14.430 3.629 19.990 540 HD1 PHE 72 HD1 PHE 72 -12.150 1.837 21.926 541 HD2 PHE 72 HD2 PHE 72 -13.603 2.068 17.892 542 HE1 PHE 72 HE1 PHE 72 -11.415 -0.495 21.530 543 HE2 PHE 72 HE2 PHE 72 -12.870 -0.268 17.499 544 HZ PHE 72 HZ PHE 72 -11.777 -1.549 19.316 545 H SER 73 H SER 73 -14.923 5.575 19.698 546 HA SER 73 HA SER 73 -14.580 8.261 19.211 547 HB2 SER 73 HB3 SER 73 -16.728 7.080 19.763 548 HB3 SER 73 HB2 SER 73 -16.257 7.139 21.449 549 HG SER 73 HG SER 73 -17.581 8.918 20.808 550 HA PRO 74 HA PRO 74 -11.839 9.574 22.549 551 HB2 PRO 74 HB3 PRO 74 -12.122 12.270 22.382 552 HB3 PRO 74 HB2 PRO 74 -11.245 11.334 21.154 553 HG2 PRO 74 HG3 PRO 74 -14.050 12.352 21.095 554 HG3 PRO 74 HG2 PRO 74 -12.809 12.410 19.832 555 HD2 PRO 74 HD3 PRO 74 -14.782 10.542 19.846 556 HD3 PRO 74 HD2 PRO 74 -13.158 10.207 19.207 557 H LEU 75 H LEU 75 -12.097 11.592 24.315 558 HA LEU 75 HA LEU 75 -13.715 10.753 26.355 559 HB2 LEU 75 HB3 LEU 75 -12.300 13.224 25.648 560 HB3 LEU 75 HB2 LEU 75 -13.702 13.534 26.658 561 HG LEU 75 HG LEU 75 -11.592 13.238 27.893 562 HD11 LEU 75 HD11 LEU 75 -12.523 12.309 29.718 563 HD12 LEU 75 HD12 LEU 75 -13.253 10.969 28.818 564 HD13 LEU 75 HD13 LEU 75 -13.972 12.581 28.748 565 HD21 LEU 75 HD21 LEU 75 -10.494 11.114 28.152 566 HD22 LEU 75 HD22 LEU 75 -10.607 11.458 26.429 567 HD23 LEU 75 HD23 LEU 75 -11.719 10.307 27.171 568 H ALA 76 H ALA 76 -14.535 13.573 24.318 569 HA ALA 76 HA ALA 76 -17.237 12.735 23.877 570 HB1 ALA 76 HB1 ALA 76 -17.025 15.132 25.678 571 HB2 ALA 76 HB2 ALA 76 -17.156 13.503 26.341 572 HB3 ALA 76 HB3 ALA 76 -18.439 14.143 25.313 573 H GLY 77 H GLY 77 -14.692 14.211 22.725 574 HA2 GLY 77 HA3 GLY 77 -14.437 15.532 20.833 575 HA3 GLY 77 HA2 GLY 77 -16.171 15.827 20.840 576 H ASP 78 H ASP 78 -15.015 16.488 23.910 577 HA ASP 78 HA ASP 78 -15.102 19.367 23.419 578 HB2 ASP 78 HB3 ASP 78 -15.069 17.780 25.987 579 HB3 ASP 78 HB2 ASP 78 -15.234 19.525 25.859 580 H LYS 79 H LYS 79 -12.894 16.840 24.355 581 HA LYS 79 HA LYS 79 -10.827 18.756 25.140 582 HB2 LYS 79 HB3 LYS 79 -10.235 15.827 24.962 583 HB3 LYS 79 HB2 LYS 79 -9.658 17.029 26.111 584 HG2 LYS 79 HG3 LYS 79 -12.495 15.938 26.073 585 HG3 LYS 79 HG2 LYS 79 -11.225 15.363 27.142 586 HD2 LYS 79 HD3 LYS 79 -11.041 17.561 28.180 587 HD3 LYS 79 HD2 LYS 79 -12.227 18.220 27.050 588 HE2 LYS 79 HE3 LYS 79 -13.935 16.688 27.908 589 HE3 LYS 79 HE2 LYS 79 -12.763 15.965 29.005 590 HZ1 LYS 79 HZ1 LYS 79 -12.778 17.776 30.360 591 HZ2 LYS 79 HZ2 LYS 79 -14.361 17.902 29.755 592 HZ3 LYS 79 HZ3 LYS 79 -13.121 18.867 29.108 593 H VAL 80 H VAL 80 -11.877 17.035 22.394 594 HA VAL 80 HA VAL 80 -9.481 17.848 20.893 595 HB VAL 80 HB VAL 80 -9.575 15.731 19.586 596 HG11 VAL 80 HG11 VAL 80 -8.700 14.259 21.477 597 HG12 VAL 80 HG12 VAL 80 -9.103 15.592 22.562 598 HG13 VAL 80 HG13 VAL 80 -7.918 15.828 21.277 599 HG21 VAL 80 HG21 VAL 80 -11.349 14.664 21.798 600 HG22 VAL 80 HG22 VAL 80 -10.885 13.864 20.296 601 HG23 VAL 80 HG23 VAL 80 -11.995 15.234 20.257 602 H ILE 81 H ILE 81 -9.859 18.346 18.703 603 HA ILE 81 HA ILE 81 -12.712 18.509 17.932 604 HB ILE 81 HB ILE 81 -10.581 20.600 18.015 605 HG12 ILE 81 HG13 ILE 81 -12.534 22.077 18.380 606 HG13 ILE 81 HG12 ILE 81 -13.616 20.725 18.079 607 HG21 ILE 81 HG21 ILE 81 -11.538 21.927 16.178 608 HG22 ILE 81 HG22 ILE 81 -12.627 20.600 15.773 609 HG23 ILE 81 HG23 ILE 81 -10.886 20.404 15.568 610 HD11 ILE 81 HD11 ILE 81 -11.544 20.321 20.189 611 HD12 ILE 81 HD12 ILE 81 -13.219 19.777 20.134 612 HD13 ILE 81 HD13 ILE 81 -12.850 21.447 20.564 613 H GLU 82 H GLU 82 -13.276 17.853 15.980 614 HA GLU 82 HA GLU 82 -11.171 16.735 14.227 615 HB2 GLU 82 HB3 GLU 82 -14.075 15.931 14.079 616 HB3 GLU 82 HB2 GLU 82 -12.656 15.036 13.553 617 HG2 GLU 82 HG3 GLU 82 -12.008 14.935 16.052 618 HG3 GLU 82 HG2 GLU 82 -13.657 15.456 16.373 619 H ARG 83 H ARG 83 -10.842 17.840 12.409 620 HA ARG 83 HA ARG 83 -13.120 19.185 11.092 621 HB2 ARG 83 HB3 ARG 83 -10.376 20.361 11.607 622 HB3 ARG 83 HB2 ARG 83 -11.579 21.076 10.535 623 HG2 ARG 83 HG3 ARG 83 -13.162 21.257 12.416 624 HG3 ARG 83 HG2 ARG 83 -11.970 20.527 13.493 625 HD2 ARG 83 HD3 ARG 83 -10.416 22.391 13.030 626 HD3 ARG 83 HD2 ARG 83 -11.616 23.125 11.971 627 HE ARG 83 HE ARG 83 -12.805 22.696 14.489 628 HH11 ARG 83 HH11 ARG 83 -10.311 24.690 13.040 629 HH12 ARG 83 HH12 ARG 83 -10.517 25.977 14.180 630 HH21 ARG 83 HH21 ARG 83 -13.033 24.395 15.952 631 HH22 ARG 83 HH22 ARG 83 -12.044 25.810 15.813 632 H THR 84 H THR 84 -12.925 19.351 8.795 633 HA THR 84 HA THR 84 -11.148 17.322 7.667 634 HB THR 84 HB THR 84 -13.593 17.340 7.116 635 HG1 THR 84 HG1 THR 84 -12.228 16.317 5.721 636 HG21 THR 84 HG21 THR 84 -13.695 19.891 6.946 637 HG22 THR 84 HG22 THR 84 -14.521 18.995 5.672 638 HG23 THR 84 HG23 THR 84 -12.939 19.711 5.362 639 H ASP 85 H ASP 85 -9.734 17.693 5.941 640 HA ASP 85 HA ASP 85 -9.009 20.526 5.468 641 HB2 ASP 85 HB3 ASP 85 -7.406 19.420 7.004 642 HB3 ASP 85 HB2 ASP 85 -7.102 18.196 5.778 643 H THR 86 H THR 86 -9.319 21.014 3.404 644 HA THR 86 HA THR 86 -9.405 18.968 1.355 645 HB THR 86 HB THR 86 -9.591 21.918 0.786 646 HG1 THR 86 HG1 THR 86 -11.260 20.481 2.445 647 HG21 THR 86 HG21 THR 86 -11.297 19.660 -0.259 648 HG22 THR 86 HG22 THR 86 -9.727 20.045 -0.963 649 HG23 THR 86 HG23 THR 86 -11.019 21.245 -0.979 650 H SER 87 H SER 87 -7.128 18.481 1.878 651 HA SER 87 HA SER 87 -4.984 20.202 1.199 652 HB2 SER 87 HB3 SER 87 -4.661 18.162 2.526 653 HB3 SER 87 HB2 SER 87 -5.112 17.176 1.139 654 HG SER 87 HG SER 87 -3.062 17.285 0.682 655 H HIS 88 H HIS 88 -6.753 17.769 -0.652 656 HA HIS 88 HA HIS 88 -5.949 19.063 -3.156 657 HB2 HIS 88 HB3 HIS 88 -5.556 16.098 -2.599 658 HB3 HIS 88 HB2 HIS 88 -5.341 16.870 -4.167 659 HD1 HIS 88 HD1 HIS 88 -3.492 18.922 -4.133 660 HD2 HIS 88 HD2 HIS 88 -3.251 16.106 -1.069 661 HE1 HIS 88 HE1 HIS 88 -1.176 19.150 -3.131 662 HE2 HIS 88 HE2 HIS 88 -1.014 17.439 -1.262 663 H GLY 89 H GLY 89 -7.155 16.763 -4.692 664 HA2 GLY 89 HA3 GLY 89 -9.805 17.652 -4.873 665 HA3 GLY 89 HA2 GLY 89 -9.214 16.113 -5.493 666 H MET 90 H MET 90 -8.326 15.398 -2.676 667 HA MET 90 HA MET 90 -10.982 14.641 -1.613 668 HB2 MET 90 HB3 MET 90 -9.871 12.656 -0.645 669 HB3 MET 90 HB2 MET 90 -9.709 12.694 -2.399 670 HG2 MET 90 HG3 MET 90 -7.433 13.628 -2.171 671 HG3 MET 90 HG2 MET 90 -7.594 13.596 -0.415 672 HE1 MET 90 HE1 MET 90 -7.313 10.198 0.758 673 HE2 MET 90 HE2 MET 90 -8.952 10.661 0.307 674 HE3 MET 90 HE3 MET 90 -7.856 11.867 0.974 675 H VAL 91 H VAL 91 -11.222 14.607 0.692 676 HA VAL 91 HA VAL 91 -9.355 16.440 2.077 677 HB VAL 91 HB VAL 91 -11.259 17.107 3.476 678 HG11 VAL 91 HG11 VAL 91 -11.180 17.508 0.550 679 HG12 VAL 91 HG12 VAL 91 -11.366 18.678 1.851 680 HG13 VAL 91 HG13 VAL 91 -12.769 17.811 1.256 681 HG21 VAL 91 HG21 VAL 91 -12.936 15.331 1.679 682 HG22 VAL 91 HG22 VAL 91 -13.514 16.312 3.024 683 HG23 VAL 91 HG23 VAL 91 -12.471 14.923 3.331 684 H ARG 92 H ARG 92 -9.076 16.115 4.394 685 HA ARG 92 HA ARG 92 -9.597 13.370 5.333 686 HB2 ARG 92 HB3 ARG 92 -6.950 14.839 5.456 687 HB3 ARG 92 HB2 ARG 92 -7.306 13.347 6.324 688 HG2 ARG 92 HG3 ARG 92 -7.658 12.147 4.253 689 HG3 ARG 92 HG2 ARG 92 -7.549 13.638 3.318 690 HD2 ARG 92 HD3 ARG 92 -5.300 12.521 5.013 691 HD3 ARG 92 HD2 ARG 92 -5.440 12.286 3.273 692 HE ARG 92 HE ARG 92 -5.596 15.041 3.756 693 HH11 ARG 92 HH11 ARG 92 -3.245 12.464 4.116 694 HH12 ARG 92 HH12 ARG 92 -1.888 13.520 3.912 695 HH21 ARG 92 HH21 ARG 92 -3.801 16.374 3.494 696 HH22 ARG 92 HH22 ARG 92 -2.201 15.714 3.563 697 H THR 93 H THR 93 -9.959 13.207 7.558 698 HA THR 93 HA THR 93 -10.606 15.736 8.856 699 HB THR 93 HB THR 93 -10.990 12.931 9.920 700 HG1 THR 93 HG1 THR 93 -13.069 13.140 9.072 701 HG21 THR 93 HG21 THR 93 -12.071 15.657 10.654 702 HG22 THR 93 HG22 THR 93 -11.191 14.529 11.685 703 HG23 THR 93 HG23 THR 93 -12.842 14.161 11.184 704 H GLU 94 H GLU 94 -8.986 16.763 9.767 705 HA GLU 94 HA GLU 94 -6.707 15.406 10.919 706 HB2 GLU 94 HB3 GLU 94 -7.453 18.349 10.890 707 HB3 GLU 94 HB2 GLU 94 -5.901 17.689 11.401 708 HG2 GLU 94 HG3 GLU 94 -5.559 16.760 9.133 709 HG3 GLU 94 HG2 GLU 94 -7.097 17.449 8.624 710 H VAL 95 H VAL 95 -6.345 15.082 13.042 711 HA VAL 95 HA VAL 95 -8.531 15.745 14.902 712 HB VAL 95 HB VAL 95 -6.211 13.807 15.201 713 HG11 VAL 95 HG11 VAL 95 -6.752 14.466 17.407 714 HG12 VAL 95 HG12 VAL 95 -7.726 13.015 17.169 715 HG13 VAL 95 HG13 VAL 95 -8.475 14.610 17.045 716 HG21 VAL 95 HG21 VAL 95 -8.132 12.133 15.129 717 HG22 VAL 95 HG22 VAL 95 -7.773 12.941 13.603 718 HG23 VAL 95 HG23 VAL 95 -9.152 13.460 14.572 719 H ILE 96 H ILE 96 -8.296 17.402 16.198 720 HA ILE 96 HA ILE 96 -5.587 18.266 16.991 721 HB ILE 96 HB ILE 96 -6.403 20.586 17.002 722 HG12 ILE 96 HG13 ILE 96 -8.744 19.656 15.325 723 HG13 ILE 96 HG12 ILE 96 -8.887 19.781 17.077 724 HG21 ILE 96 HG21 ILE 96 -6.469 19.052 14.399 725 HG22 ILE 96 HG22 ILE 96 -5.107 19.908 15.126 726 HG23 ILE 96 HG23 ILE 96 -6.473 20.816 14.482 727 HD11 ILE 96 HD11 ILE 96 -7.669 22.139 15.759 728 HD12 ILE 96 HD12 ILE 96 -8.864 22.041 17.053 729 HD13 ILE 96 HD13 ILE 96 -9.367 21.845 15.376 730 H CYS 97 H CYS 97 -5.507 19.464 18.961 731 HA CYS 97 HA CYS 97 -7.271 18.346 21.001 732 HB2 CYS 97 HB3 CYS 97 -4.822 18.535 21.260 733 HB3 CYS 97 HB2 CYS 97 -4.936 20.274 21.214 734 H ALA 98 H ALA 98 -8.886 19.442 21.984 735 HA ALA 98 HA ALA 98 -10.056 21.670 20.778 736 HB1 ALA 98 HB1 ALA 98 -11.592 21.686 22.631 737 HB2 ALA 98 HB2 ALA 98 -10.462 20.774 23.632 738 HB3 ALA 98 HB3 ALA 98 -11.218 20.009 22.232 739 H ASN 99 H ASN 99 -7.483 21.553 23.104 740 HA ASN 99 HA ASN 99 -7.847 24.411 23.743 741 HB2 ASN 99 HB3 ASN 99 -6.210 22.241 25.040 742 HB3 ASN 99 HB2 ASN 99 -6.138 23.941 25.511 743 HD21 ASN 99 HD21 ASN 99 -8.141 21.057 25.529 744 HD22 ASN 99 HD22 ASN 99 -9.355 21.670 26.542 745 H CYS 100 H CYS 100 -5.720 22.193 22.053 746 HA CYS 100 HA CYS 100 -4.187 24.523 21.121 747 HB2 CYS 100 HB3 CYS 100 -2.040 23.354 21.421 748 HB3 CYS 100 HB2 CYS 100 -2.854 23.658 22.952 749 H GLU 101 H GLU 101 -2.866 24.020 19.179 750 HA GLU 101 HA GLU 101 -4.489 22.536 17.325 751 HB2 GLU 101 HB3 GLU 101 -1.966 24.167 17.035 752 HB3 GLU 101 HB2 GLU 101 -2.661 23.273 15.682 753 HG2 GLU 101 HG3 GLU 101 -4.739 24.488 15.850 754 HG3 GLU 101 HG2 GLU 101 -4.232 25.252 17.353 755 H SER 102 H SER 102 -4.132 20.488 18.571 756 HA SER 102 HA SER 102 -1.604 19.132 18.090 757 HB2 SER 102 HB3 SER 102 -4.167 18.097 19.312 758 HB3 SER 102 HB2 SER 102 -2.627 17.250 19.280 759 HG SER 102 HG SER 102 -2.994 19.829 20.400 760 H HIS 103 H HIS 103 -2.417 19.886 15.732 761 HA HIS 103 HA HIS 103 -4.044 17.919 14.380 762 HB2 HIS 103 HB3 HIS 103 -3.063 19.078 12.273 763 HB3 HIS 103 HB2 HIS 103 -4.181 19.980 13.282 764 HD1 HIS 103 HD1 HIS 103 -3.296 22.323 12.917 765 HD2 HIS 103 HD2 HIS 103 -0.294 19.665 14.059 766 HE1 HIS 103 HE1 HIS 103 -1.240 23.724 13.386 767 HE2 HIS 103 HE2 HIS 103 0.598 22.120 14.086 768 H LEU 104 H LEU 104 -1.561 17.046 15.843 769 HA LEU 104 HA LEU 104 0.357 16.202 13.910 770 HB2 LEU 104 HB3 LEU 104 1.235 14.787 15.752 771 HB3 LEU 104 HB2 LEU 104 1.024 16.470 16.214 772 HG LEU 104 HG LEU 104 -1.414 15.515 16.982 773 HD11 LEU 104 HD11 LEU 104 -0.711 13.175 16.256 774 HD12 LEU 104 HD12 LEU 104 -1.263 13.312 17.922 775 HD13 LEU 104 HD13 LEU 104 0.461 13.209 17.572 776 HD21 LEU 104 HD21 LEU 104 0.374 16.712 18.347 777 HD22 LEU 104 HD22 LEU 104 1.039 15.121 18.717 778 HD23 LEU 104 HD23 LEU 104 -0.595 15.535 19.234 779 H GLY 105 H GLY 105 -2.617 14.849 15.205 780 HA2 GLY 105 HA3 GLY 105 -2.125 12.345 13.697 781 HA3 GLY 105 HA2 GLY 105 -3.202 12.504 15.070 782 H HIS 106 H HIS 106 -4.254 11.277 13.027 783 HA HIS 106 HA HIS 106 -6.219 13.172 11.917 784 HB2 HIS 106 HB3 HIS 106 -4.624 11.153 10.327 785 HB3 HIS 106 HB2 HIS 106 -6.127 11.861 9.744 786 HD1 HIS 106 HD1 HIS 106 -2.683 12.957 10.940 787 HD2 HIS 106 HD2 HIS 106 -5.799 14.341 8.526 788 HE1 HIS 106 HE1 HIS 106 -1.845 15.072 9.828 789 HE2 HIS 106 HE2 HIS 106 -3.730 15.929 8.360 790 H VAL 107 H VAL 107 -8.192 12.046 11.123 791 HA VAL 107 HA VAL 107 -8.575 9.362 12.262 792 HB VAL 107 HB VAL 107 -9.464 10.985 13.873 793 HG11 VAL 107 HG11 VAL 107 -9.974 12.712 12.012 794 HG12 VAL 107 HG12 VAL 107 -11.087 12.610 13.375 795 HG13 VAL 107 HG13 VAL 107 -11.505 11.854 11.836 796 HG21 VAL 107 HG21 VAL 107 -11.474 9.334 12.337 797 HG22 VAL 107 HG22 VAL 107 -11.888 10.163 13.837 798 HG23 VAL 107 HG23 VAL 107 -10.642 8.915 13.835 799 H PHE 108 H PHE 108 -9.841 8.019 11.073 800 HA PHE 108 HA PHE 108 -11.104 9.107 8.630 801 HB2 PHE 108 HB3 PHE 108 -9.436 6.587 8.834 802 HB3 PHE 108 HB2 PHE 108 -10.352 7.083 7.413 803 HD1 PHE 108 HD1 PHE 108 -7.373 7.688 9.454 804 HD2 PHE 108 HD2 PHE 108 -9.706 9.109 6.139 805 HE1 PHE 108 HE1 PHE 108 -5.480 9.122 8.737 806 HE2 PHE 108 HE2 PHE 108 -7.813 10.542 5.421 807 HZ PHE 108 HZ PHE 108 -5.700 10.548 6.720 808 H ALA 109 H ALA 109 -12.948 8.047 7.910 809 HA ALA 109 HA ALA 109 -14.251 6.330 9.927 810 HB1 ALA 109 HB1 ALA 109 -15.521 7.911 7.681 811 HB2 ALA 109 HB2 ALA 109 -15.357 8.492 9.338 812 HB3 ALA 109 HB3 ALA 109 -16.356 7.080 8.993 813 H GLY 110 H GLY 110 -15.835 4.726 8.993 814 HA2 GLY 110 HA3 GLY 110 -16.430 3.043 7.502 815 HA3 GLY 110 HA2 GLY 110 -15.325 3.736 6.322 816 H GLU 111 H GLU 111 -14.385 2.847 9.603 817 HA GLU 111 HA GLU 111 -12.207 1.235 8.678 818 HB2 GLU 111 HB3 GLU 111 -12.130 2.511 10.799 819 HB3 GLU 111 HB2 GLU 111 -13.391 1.475 11.460 820 HG2 GLU 111 HG3 GLU 111 -11.225 0.685 12.249 821 HG3 GLU 111 HG2 GLU 111 -11.889 -0.498 11.127 822 H GLY 112 H GLY 112 -15.503 0.561 9.708 823 HA2 GLY 112 HA3 GLY 112 -16.773 -1.362 9.542 824 HA3 GLY 112 HA2 GLY 112 -15.465 -2.070 8.601 825 H TYR 113 H TYR 113 -14.956 -0.783 11.816 826 HA TYR 113 HA TYR 113 -14.092 -3.406 12.747 827 HB2 TYR 113 HB3 TYR 113 -12.821 -1.192 13.105 828 HB3 TYR 113 HB2 TYR 113 -14.030 -0.845 14.340 829 HD1 TYR 113 HD1 TYR 113 -11.552 -3.428 13.260 830 HD2 TYR 113 HD2 TYR 113 -13.810 -1.765 16.516 831 HE1 TYR 113 HE1 TYR 113 -10.303 -4.855 14.857 832 HE2 TYR 113 HE2 TYR 113 -12.561 -3.195 18.111 833 HH TYR 113 HH TYR 113 -9.733 -4.909 17.214 834 H ASP 114 H ASP 114 -17.032 -2.359 12.449 835 HA ASP 114 HA ASP 114 -19.019 -2.683 13.501 836 HB2 ASP 114 HB3 ASP 114 -17.884 -4.993 13.715 837 HB3 ASP 114 HB2 ASP 114 -17.601 -4.550 15.396 838 H THR 115 H THR 115 -17.860 -0.402 14.229 839 HA THR 115 HA THR 115 -18.217 -0.212 17.144 840 HB THR 115 HB THR 115 -16.916 2.072 16.616 841 HG1 THR 115 HG1 THR 115 -15.382 1.700 15.003 842 HG21 THR 115 HG21 THR 115 -15.922 -0.668 17.259 843 HG22 THR 115 HG22 THR 115 -15.836 0.825 18.198 844 HG23 THR 115 HG23 THR 115 -14.728 0.563 16.851 845 HA PRO 116 HA PRO 116 -21.654 2.511 16.498 846 HB2 PRO 116 HB3 PRO 116 -21.306 4.364 18.504 847 HB3 PRO 116 HB2 PRO 116 -21.920 2.721 18.770 848 HG2 PRO 116 HG3 PRO 116 -19.163 3.794 19.165 849 HG3 PRO 116 HG2 PRO 116 -20.100 2.682 20.181 850 HD2 PRO 116 HD3 PRO 116 -18.156 1.819 18.511 851 HD3 PRO 116 HD2 PRO 116 -19.601 0.842 18.839 852 H THR 117 H THR 117 -18.429 3.870 16.594 853 HA THR 117 HA THR 117 -19.342 6.304 15.182 854 HB THR 117 HB THR 117 -17.174 7.272 15.782 855 HG1 THR 117 HG1 THR 117 -15.854 5.969 17.219 856 HG21 THR 117 HG21 THR 117 -18.039 5.999 18.347 857 HG22 THR 117 HG22 THR 117 -19.210 7.003 17.487 858 HG23 THR 117 HG23 THR 117 -17.670 7.688 18.003 859 H ASP 118 H ASP 118 -17.494 3.389 14.819 860 HA ASP 118 HA ASP 118 -16.297 2.488 13.074 861 HB2 ASP 118 HB3 ASP 118 -18.048 4.373 11.471 862 HB3 ASP 118 HB2 ASP 118 -17.145 3.007 10.818 863 H LEU 119 H LEU 119 -15.052 4.615 14.444 864 HA LEU 119 HA LEU 119 -13.600 6.060 12.311 865 HB2 LEU 119 HB3 LEU 119 -13.956 6.670 15.252 866 HB3 LEU 119 HB2 LEU 119 -12.834 7.539 14.208 867 HG LEU 119 HG LEU 119 -15.781 7.274 13.564 868 HD11 LEU 119 HD11 LEU 119 -15.279 8.445 15.788 869 HD12 LEU 119 HD12 LEU 119 -16.161 9.400 14.592 870 HD13 LEU 119 HD13 LEU 119 -14.435 9.669 14.836 871 HD21 LEU 119 HD21 LEU 119 -14.406 7.878 11.652 872 HD22 LEU 119 HD22 LEU 119 -13.534 9.082 12.601 873 HD23 LEU 119 HD23 LEU 119 -15.231 9.337 12.198 874 H ARG 120 H ARG 120 -11.394 6.006 12.212 875 HA ARG 120 HA ARG 120 -10.019 4.093 14.001 876 HB2 ARG 120 HB3 ARG 120 -8.547 3.524 12.045 877 HB3 ARG 120 HB2 ARG 120 -10.222 3.016 11.848 878 HG2 ARG 120 HG3 ARG 120 -10.694 4.818 10.354 879 HG3 ARG 120 HG2 ARG 120 -9.192 5.646 10.753 880 HD2 ARG 120 HD3 ARG 120 -9.367 2.948 9.386 881 HD3 ARG 120 HD2 ARG 120 -9.092 4.475 8.556 882 HE ARG 120 HE ARG 120 -7.158 4.275 10.567 883 HH11 ARG 120 HH11 ARG 120 -8.030 2.568 7.631 884 HH12 ARG 120 HH12 ARG 120 -6.409 2.046 7.319 885 HH21 ARG 120 HH21 ARG 120 -5.069 3.574 10.122 886 HH22 ARG 120 HH22 ARG 120 -4.747 2.612 8.719 887 H TYR 121 H TYR 121 -9.887 6.411 15.052 888 HA TYR 121 HA TYR 121 -8.266 8.467 14.158 889 HB2 TYR 121 HB3 TYR 121 -8.332 7.319 16.957 890 HB3 TYR 121 HB2 TYR 121 -7.730 8.909 16.524 891 HD1 TYR 121 HD1 TYR 121 -10.726 6.818 16.945 892 HD2 TYR 121 HD2 TYR 121 -9.257 10.717 15.927 893 HE1 TYR 121 HE1 TYR 121 -13.006 7.747 17.249 894 HE2 TYR 121 HE2 TYR 121 -11.535 11.649 16.213 895 HH TYR 121 HH TYR 121 -13.593 11.168 17.271 896 H CYS 122 H CYS 122 -6.232 8.368 13.356 897 HA CYS 122 HA CYS 122 -4.412 6.271 14.342 898 HB2 CYS 122 HB3 CYS 122 -4.200 8.077 11.913 899 HB3 CYS 122 HB2 CYS 122 -3.047 6.818 12.354 900 HG CYS 122 HG CYS 122 -5.288 5.179 12.181 901 H ILE 123 H ILE 123 -3.969 7.260 16.311 902 HA ILE 123 HA ILE 123 -2.255 9.667 16.131 903 HB ILE 123 HB ILE 123 -3.764 9.032 18.658 904 HG12 ILE 123 HG13 ILE 123 -5.560 9.103 16.960 905 HG13 ILE 123 HG12 ILE 123 -5.631 10.506 18.012 906 HG21 ILE 123 HG21 ILE 123 -1.948 10.737 18.566 907 HG22 ILE 123 HG22 ILE 123 -3.504 11.411 19.051 908 HG23 ILE 123 HG23 ILE 123 -2.914 11.653 17.404 909 HD11 ILE 123 HD11 ILE 123 -4.158 10.682 15.396 910 HD12 ILE 123 HD12 ILE 123 -4.915 11.971 16.323 911 HD13 ILE 123 HD13 ILE 123 -5.913 10.825 15.423 912 H ASN 124 H ASN 124 -0.411 9.646 17.373 913 HA ASN 124 HA ASN 124 0.220 7.099 18.756 914 HB2 ASN 124 HB3 ASN 124 1.419 7.773 16.505 915 HB3 ASN 124 HB2 ASN 124 2.383 8.786 17.574 916 HD21 ASN 124 HD21 ASN 124 3.179 6.277 16.082 917 HD22 ASN 124 HD22 ASN 124 3.754 5.219 17.278 918 H SER 125 H SER 125 1.737 7.270 20.524 919 HA SER 125 HA SER 125 1.261 9.698 22.060 920 HB2 SER 125 HB3 SER 125 0.886 7.567 23.165 921 HB3 SER 125 HB2 SER 125 2.535 7.059 22.812 922 HG SER 125 HG SER 125 2.126 7.985 24.960 923 H VAL 126 H VAL 126 2.589 11.211 21.095 924 HA VAL 126 HA VAL 126 5.443 10.771 20.855 925 HB VAL 126 HB VAL 126 4.170 12.186 19.227 926 HG11 VAL 126 HG11 VAL 126 3.192 14.222 19.769 927 HG12 VAL 126 HG12 VAL 126 4.176 14.441 21.216 928 HG13 VAL 126 HG13 VAL 126 2.830 13.297 21.225 929 HG21 VAL 126 HG21 VAL 126 5.910 13.836 19.005 930 HG22 VAL 126 HG22 VAL 126 6.650 12.376 19.664 931 HG23 VAL 126 HG23 VAL 126 6.295 13.740 20.724 932 H CYS 127 H CYS 127 4.898 10.147 23.340 933 HA CYS 127 HA CYS 127 5.592 10.503 25.499 934 HB2 CYS 127 HB3 CYS 127 7.400 11.996 24.252 935 HB3 CYS 127 HB2 CYS 127 6.472 13.317 24.964 936 HG CYS 127 HG CYS 127 8.321 12.501 26.683 937 H LEU 128 H LEU 128 3.125 10.546 25.209 938 HA LEU 128 HA LEU 128 1.840 13.041 26.024 939 HB2 LEU 128 HB3 LEU 128 0.716 11.772 24.329 940 HB3 LEU 128 HB2 LEU 128 0.838 10.284 25.255 941 HG LEU 128 HG LEU 128 -0.637 12.578 26.534 942 HD11 LEU 128 HD11 LEU 128 -1.700 10.944 24.218 943 HD12 LEU 128 HD12 LEU 128 -1.600 12.700 24.340 944 HD13 LEU 128 HD13 LEU 128 -2.738 11.811 25.351 945 HD21 LEU 128 HD21 LEU 128 -0.874 9.561 26.437 946 HD22 LEU 128 HD22 LEU 128 -2.121 10.569 27.170 947 HD23 LEU 128 HD23 LEU 128 -0.486 10.568 27.824 948 H THR 129 H THR 129 0.548 13.156 27.981 949 HA THR 129 HA THR 129 1.827 11.706 30.189 950 HB THR 129 HB THR 129 -0.052 14.084 30.191 951 HG1 THR 129 HG1 THR 129 2.754 13.794 30.401 952 HG21 THR 129 HG21 THR 129 1.430 12.631 32.384 953 HG22 THR 129 HG22 THR 129 -0.260 13.142 32.347 954 HG23 THR 129 HG23 THR 129 1.020 14.341 32.540 955 H LEU 130 H LEU 130 0.850 10.279 31.522 956 HA LEU 130 HA LEU 130 -1.882 9.432 30.856 957 HB2 LEU 130 HB3 LEU 130 -0.279 7.599 30.921 958 HB3 LEU 130 HB2 LEU 130 0.284 8.088 32.516 959 HG LEU 130 HG LEU 130 -2.048 7.636 33.404 960 HD11 LEU 130 HD11 LEU 130 -3.211 7.839 31.220 961 HD12 LEU 130 HD12 LEU 130 -3.601 6.353 32.090 962 HD13 LEU 130 HD13 LEU 130 -2.478 6.308 30.730 963 HD21 LEU 130 HD21 LEU 130 -0.722 5.271 32.077 964 HD22 LEU 130 HD22 LEU 130 -1.892 5.212 33.403 965 HD23 LEU 130 HD23 LEU 130 -0.301 5.942 33.656 966 H ILE 131 H ILE 131 -3.533 9.528 32.225 967 HA ILE 131 HA ILE 131 -3.100 10.789 34.865 968 HB ILE 131 HB ILE 131 -5.645 10.677 33.217 969 HG12 ILE 131 HG13 ILE 131 -3.998 12.222 32.220 970 HG13 ILE 131 HG12 ILE 131 -5.346 13.113 32.911 971 HG21 ILE 131 HG21 ILE 131 -5.027 11.511 36.027 972 HG22 ILE 131 HG22 ILE 131 -6.501 10.827 35.333 973 HG23 ILE 131 HG23 ILE 131 -6.148 12.539 35.116 974 HD11 ILE 131 HD11 ILE 131 -3.215 14.211 33.465 975 HD12 ILE 131 HD12 ILE 131 -2.626 12.721 34.201 976 HD13 ILE 131 HD13 ILE 131 -3.976 13.588 34.930 977 HA PRO 132 HA PRO 132 -4.056 6.517 36.042 978 HB2 PRO 132 HB3 PRO 132 -4.178 7.388 38.821 979 HB3 PRO 132 HB2 PRO 132 -2.974 6.359 38.034 980 HG2 PRO 132 HG3 PRO 132 -2.584 8.969 38.881 981 HG3 PRO 132 HG2 PRO 132 -1.541 8.064 37.775 982 HD2 PRO 132 HD3 PRO 132 -3.441 10.237 37.278 983 HD3 PRO 132 HD2 PRO 132 -2.063 9.685 36.300 984 H ALA 133 H ALA 133 -6.145 6.197 35.348 985 HA ALA 133 HA ALA 133 -8.329 7.784 36.165 986 HB1 ALA 133 HB1 ALA 133 -8.591 6.482 34.185 987 HB2 ALA 133 HB2 ALA 133 -9.753 5.850 35.352 988 HB3 ALA 133 HB3 ALA 133 -8.247 4.983 35.047 989 H GLU 134 H GLU 134 -7.336 4.554 37.320 990 HA GLU 134 HA GLU 134 -7.977 4.997 40.021 991 HB2 GLU 134 HB3 GLU 134 -10.326 5.036 39.101 992 HB3 GLU 134 HB2 GLU 134 -10.078 3.382 38.557 993 HG2 GLU 134 HG3 GLU 134 -9.678 2.660 40.870 994 HG3 GLU 134 HG2 GLU 134 -9.852 4.320 41.433 995 H GLU 135 H GLU 135 -8.497 2.346 37.683 996 HA GLU 135 HA GLU 135 -7.711 0.202 37.582 997 HB2 GLU 135 HB3 GLU 135 -5.328 1.745 38.593 998 HB3 GLU 135 HB2 GLU 135 -5.238 -0.004 38.406 999 HG2 GLU 135 HG3 GLU 135 -6.087 1.899 36.202 1000 HG3 GLU 135 HG2 GLU 135 -4.456 1.257 36.380 1001 H SER 136 H SER 136 -9.434 0.514 39.564 1002 HA SER 136 HA SER 136 -8.293 -1.029 41.823 1003 HB2 SER 136 HB3 SER 136 -8.945 1.183 42.597 1004 HB3 SER 136 HB2 SER 136 -10.532 1.009 41.853 1005 HG SER 136 HG SER 136 -11.131 -0.024 43.571 Start of MODEL 17 1 H MET 1 H1 MET 1 -8.120 24.757 28.763 2 HA MET 1 HA MET 1 -10.507 25.210 29.448 3 HB2 MET 1 HB3 MET 1 -9.007 25.570 32.054 4 HB3 MET 1 HB2 MET 1 -10.598 26.268 31.751 5 HG2 MET 1 HG3 MET 1 -11.421 23.948 31.192 6 HG3 MET 1 HG2 MET 1 -9.865 23.327 31.742 7 HE1 MET 1 HE1 MET 1 -9.393 22.984 34.652 8 HE2 MET 1 HE2 MET 1 -9.564 24.618 35.286 9 HE3 MET 1 HE3 MET 1 -8.785 24.363 33.729 10 H THR 2 H THR 2 -7.384 26.614 30.381 11 HA THR 2 HA THR 2 -8.186 29.315 29.741 12 HB THR 2 HB THR 2 -5.834 29.881 30.199 13 HG1 THR 2 HG1 THR 2 -4.366 28.302 30.573 14 HG21 THR 2 HG21 THR 2 -7.263 29.760 32.129 15 HG22 THR 2 HG22 THR 2 -5.748 28.966 32.558 16 HG23 THR 2 HG23 THR 2 -7.167 27.998 32.159 17 H ASN 3 H ASN 3 -6.899 30.626 28.181 18 HA ASN 3 HA ASN 3 -6.836 29.274 25.604 19 HB2 ASN 3 HB3 ASN 3 -7.924 31.469 25.794 20 HB3 ASN 3 HB2 ASN 3 -6.420 32.180 26.338 21 HD21 ASN 3 HD21 ASN 3 -6.990 33.552 24.253 22 HD22 ASN 3 HD22 ASN 3 -6.352 32.974 22.790 23 H PHE 4 H PHE 4 -5.056 28.168 25.139 24 HA PHE 4 HA PHE 4 -2.431 28.886 26.138 25 HB2 PHE 4 HB3 PHE 4 -3.388 26.691 24.292 26 HB3 PHE 4 HB2 PHE 4 -1.723 26.866 24.842 27 HD1 PHE 4 HD1 PHE 4 -5.195 26.159 25.889 28 HD2 PHE 4 HD2 PHE 4 -1.089 26.350 27.130 29 HE1 PHE 4 HE1 PHE 4 -5.774 24.972 27.987 30 HE2 PHE 4 HE2 PHE 4 -1.668 25.166 29.230 31 HZ PHE 4 HZ PHE 4 -4.011 24.477 29.659 32 H LYS 5 H LYS 5 -4.259 29.833 23.469 33 HA LYS 5 HA LYS 5 -2.425 29.923 21.343 34 HB2 LYS 5 HB3 LYS 5 -4.699 31.818 22.009 35 HB3 LYS 5 HB2 LYS 5 -3.930 31.654 20.426 36 HG2 LYS 5 HG3 LYS 5 -5.314 29.372 21.865 37 HG3 LYS 5 HG2 LYS 5 -6.109 30.390 20.669 38 HD2 LYS 5 HD3 LYS 5 -4.621 29.640 18.930 39 HD3 LYS 5 HD2 LYS 5 -3.585 28.812 20.094 40 HE2 LYS 5 HE3 LYS 5 -5.000 27.143 19.083 41 HE3 LYS 5 HE2 LYS 5 -5.562 27.402 20.738 42 HZ1 LYS 5 HZ1 LYS 5 -6.714 28.860 18.434 43 HZ2 LYS 5 HZ2 LYS 5 -7.354 28.687 19.999 44 HZ3 LYS 5 HZ3 LYS 5 -7.317 27.358 18.940 45 H LEU 6 H LEU 6 -3.069 32.140 23.966 46 HA LEU 6 HA LEU 6 -1.567 34.357 23.031 47 HB2 LEU 6 HB3 LEU 6 -2.334 33.576 25.847 48 HB3 LEU 6 HB2 LEU 6 -1.827 35.179 25.323 49 HG LEU 6 HG LEU 6 -4.038 34.123 23.657 50 HD11 LEU 6 HD11 LEU 6 -4.466 34.437 26.625 51 HD12 LEU 6 HD12 LEU 6 -4.781 33.024 25.615 52 HD13 LEU 6 HD13 LEU 6 -5.769 34.473 25.434 53 HD21 LEU 6 HD21 LEU 6 -3.293 36.469 23.678 54 HD22 LEU 6 HD22 LEU 6 -3.801 36.609 25.364 55 HD23 LEU 6 HD23 LEU 6 -4.998 36.311 24.103 56 H ILE 7 H ILE 7 -0.606 31.394 24.524 57 HA ILE 7 HA ILE 7 1.709 32.177 25.900 58 HB ILE 7 HB ILE 7 1.116 29.562 24.482 59 HG12 ILE 7 HG13 ILE 7 0.822 30.310 27.410 60 HG13 ILE 7 HG12 ILE 7 -0.512 30.337 26.261 61 HG21 ILE 7 HG21 ILE 7 3.115 30.178 26.692 62 HG22 ILE 7 HG22 ILE 7 3.540 29.885 25.008 63 HG23 ILE 7 HG23 ILE 7 2.822 28.597 25.969 64 HD11 ILE 7 HD11 ILE 7 1.192 27.904 26.840 65 HD12 ILE 7 HD12 ILE 7 -0.250 27.961 25.827 66 HD13 ILE 7 HD13 ILE 7 -0.386 28.204 27.569 67 H THR 8 H THR 8 3.807 32.404 25.338 68 HA THR 8 HA THR 8 4.379 33.122 22.592 69 HB THR 8 HB THR 8 6.551 33.846 23.508 70 HG1 THR 8 HG1 THR 8 7.035 33.513 25.607 71 HG21 THR 8 HG21 THR 8 4.561 35.346 23.612 72 HG22 THR 8 HG22 THR 8 5.713 35.650 24.912 73 HG23 THR 8 HG23 THR 8 4.235 34.744 25.237 74 H ASP 9 H ASP 9 6.447 32.369 21.601 75 HA ASP 9 HA ASP 9 6.437 29.573 21.331 76 HB2 ASP 9 HB3 ASP 9 8.456 31.664 20.509 77 HB3 ASP 9 HB2 ASP 9 8.632 29.961 20.103 78 H THR 10 H THR 10 8.541 31.732 23.206 79 HA THR 10 HA THR 10 10.418 29.782 24.032 80 HB THR 10 HB THR 10 9.541 32.309 25.472 81 HG1 THR 10 HG1 THR 10 10.330 32.862 23.506 82 HG21 THR 10 HG21 THR 10 11.592 32.170 26.698 83 HG22 THR 10 HG22 THR 10 12.197 30.866 25.677 84 HG23 THR 10 HG23 THR 10 10.876 30.561 26.806 85 H GLU 11 H GLU 11 7.410 30.965 25.508 86 HA GLU 11 HA GLU 11 7.510 29.462 27.875 87 HB2 GLU 11 HB3 GLU 11 5.206 30.563 26.280 88 HB3 GLU 11 HB2 GLU 11 4.994 29.780 27.839 89 HG2 GLU 11 HG3 GLU 11 6.421 31.412 28.917 90 HG3 GLU 11 HG2 GLU 11 6.856 32.121 27.371 91 H TRP 12 H TRP 12 6.307 28.646 24.653 92 HA TRP 12 HA TRP 12 5.110 26.165 25.353 93 HB2 TRP 12 HB3 TRP 12 6.076 27.418 22.803 94 HB3 TRP 12 HB2 TRP 12 5.661 25.707 22.814 95 HD1 TRP 12 HD1 TRP 12 4.129 29.047 22.451 96 HE1 TRP 12 HE1 TRP 12 1.556 28.857 22.532 97 HE3 TRP 12 HE3 TRP 12 3.664 24.292 24.221 98 HZ2 TRP 12 HZ2 TRP 12 -0.438 26.924 23.258 99 HZ3 TRP 12 HZ3 TRP 12 1.435 23.297 24.600 100 HH2 TRP 12 HH2 TRP 12 -0.620 24.599 24.117 101 H ARG 13 H ARG 13 8.383 27.073 24.323 102 HA ARG 13 HA ARG 13 9.425 24.460 24.032 103 HB2 ARG 13 HB3 ARG 13 10.752 27.100 24.655 104 HB3 ARG 13 HB2 ARG 13 11.651 25.610 24.365 105 HG2 ARG 13 HG3 ARG 13 10.592 25.400 22.147 106 HG3 ARG 13 HG2 ARG 13 9.692 26.889 22.439 107 HD2 ARG 13 HD3 ARG 13 11.804 28.137 22.644 108 HD3 ARG 13 HD2 ARG 13 12.711 26.652 22.364 109 HE ARG 13 HE ARG 13 10.916 27.015 20.221 110 HH11 ARG 13 HH11 ARG 13 13.796 28.511 21.548 111 HH12 ARG 13 HH12 ARG 13 14.323 29.120 20.014 112 HH21 ARG 13 HH21 ARG 13 11.643 27.822 18.250 113 HH22 ARG 13 HH22 ARG 13 13.114 28.731 18.164 114 H GLN 14 H GLN 14 9.253 26.659 26.789 115 HA GLN 14 HA GLN 14 10.582 24.728 28.539 116 HB2 GLN 14 HB3 GLN 14 10.192 26.535 30.303 117 HB3 GLN 14 HB2 GLN 14 11.280 26.945 28.983 118 HG2 GLN 14 HG3 GLN 14 9.939 28.594 28.221 119 HG3 GLN 14 HG2 GLN 14 8.478 27.647 28.416 120 HE21 GLN 14 HE21 GLN 14 8.649 30.427 29.106 121 HE22 GLN 14 HE22 GLN 14 8.435 30.560 30.782 122 H ARG 15 H ARG 15 7.674 24.589 27.331 123 HA ARG 15 HA ARG 15 6.225 24.098 29.861 124 HB2 ARG 15 HB3 ARG 15 5.471 25.143 27.220 125 HB3 ARG 15 HB2 ARG 15 4.399 23.848 27.738 126 HG2 ARG 15 HG3 ARG 15 3.748 25.014 29.694 127 HG3 ARG 15 HG2 ARG 15 5.091 26.152 29.569 128 HD2 ARG 15 HD3 ARG 15 4.127 27.167 27.598 129 HD3 ARG 15 HD2 ARG 15 2.887 25.925 27.509 130 HE ARG 15 HE ARG 15 1.669 27.095 29.085 131 HH11 ARG 15 HH11 ARG 15 5.010 28.122 29.312 132 HH12 ARG 15 HH12 ARG 15 4.663 29.392 30.436 133 HH21 ARG 15 HH21 ARG 15 1.259 28.772 30.524 134 HH22 ARG 15 HH22 ARG 15 2.555 29.756 31.116 135 H LEU 16 H LEU 16 6.970 22.710 26.701 136 HA LEU 16 HA LEU 16 6.425 20.022 27.784 137 HB2 LEU 16 HB3 LEU 16 5.615 19.581 25.285 138 HB3 LEU 16 HB2 LEU 16 4.514 20.144 26.525 139 HG LEU 16 HG LEU 16 4.928 22.509 25.731 140 HD11 LEU 16 HD11 LEU 16 6.016 22.874 23.597 141 HD12 LEU 16 HD12 LEU 16 6.271 21.142 23.383 142 HD13 LEU 16 HD13 LEU 16 7.136 22.012 24.650 143 HD21 LEU 16 HD21 LEU 16 3.436 22.350 23.882 144 HD22 LEU 16 HD22 LEU 16 3.028 21.014 24.954 145 HD23 LEU 16 HD23 LEU 16 3.975 20.719 23.500 146 H SER 17 H SER 17 7.112 18.336 26.057 147 HA SER 17 HA SER 17 9.912 18.378 25.872 148 HB2 SER 17 HB3 SER 17 8.302 16.379 25.842 149 HB3 SER 17 HB2 SER 17 8.107 16.712 24.122 150 HG SER 17 HG SER 17 10.214 15.606 25.475 151 H SER 18 H SER 18 11.241 18.341 23.946 152 HA SER 18 HA SER 18 10.815 20.532 22.245 153 HB2 SER 18 HB3 SER 18 12.661 18.161 21.956 154 HB3 SER 18 HB2 SER 18 12.715 19.581 20.915 155 HG SER 18 HG SER 18 13.794 19.239 23.321 156 H GLU 19 H GLU 19 10.246 17.084 21.791 157 HA GLU 19 HA GLU 19 9.492 17.237 19.061 158 HB2 GLU 19 HB3 GLU 19 8.355 15.013 19.546 159 HB3 GLU 19 HB2 GLU 19 10.082 15.081 19.866 160 HG2 GLU 19 HG3 GLU 19 8.320 15.777 22.164 161 HG3 GLU 19 HG2 GLU 19 8.265 14.105 21.637 162 H GLU 20 H GLU 20 7.640 17.445 22.078 163 HA GLU 20 HA GLU 20 5.058 17.510 20.993 164 HB2 GLU 20 HB3 GLU 20 6.231 18.706 23.501 165 HB3 GLU 20 HB2 GLU 20 4.510 18.753 23.127 166 HG2 GLU 20 HG3 GLU 20 6.077 16.171 23.155 167 HG3 GLU 20 HG2 GLU 20 5.308 16.813 24.601 168 H TYR 21 H TYR 21 7.452 20.052 21.554 169 HA TYR 21 HA TYR 21 5.840 22.296 21.077 170 HB2 TYR 21 HB3 TYR 21 8.090 22.424 22.056 171 HB3 TYR 21 HB2 TYR 21 8.803 21.876 20.544 172 HD1 TYR 21 HD1 TYR 21 7.334 24.725 22.337 173 HD2 TYR 21 HD2 TYR 21 8.780 23.322 18.541 174 HE1 TYR 21 HE1 TYR 21 7.424 27.059 21.498 175 HE2 TYR 21 HE2 TYR 21 8.873 25.655 17.711 176 HH TYR 21 HH TYR 21 7.730 27.844 18.256 177 H ARG 22 H ARG 22 7.967 20.541 18.747 178 HA ARG 22 HA ARG 22 7.085 22.131 16.526 179 HB2 ARG 22 HB3 ARG 22 8.462 20.694 15.157 180 HB3 ARG 22 HB2 ARG 22 9.333 21.066 16.639 181 HG2 ARG 22 HG3 ARG 22 8.574 18.866 17.578 182 HG3 ARG 22 HG2 ARG 22 7.839 18.497 16.014 183 HD2 ARG 22 HD3 ARG 22 10.044 18.738 14.927 184 HD3 ARG 22 HD2 ARG 22 10.777 19.081 16.492 185 HE ARG 22 HE ARG 22 9.388 16.624 16.653 186 HH11 ARG 22 HH11 ARG 22 12.238 17.988 15.134 187 HH12 ARG 22 HH12 ARG 22 13.082 16.475 15.098 188 HH21 ARG 22 HH21 ARG 22 10.523 14.683 16.590 189 HH22 ARG 22 HH22 ARG 22 12.118 14.621 15.915 190 H VAL 23 H VAL 23 6.301 18.935 17.734 191 HA VAL 23 HA VAL 23 4.716 18.048 15.597 192 HB VAL 23 HB VAL 23 4.841 17.314 18.526 193 HG11 VAL 23 HG11 VAL 23 2.639 16.628 17.888 194 HG12 VAL 23 HG12 VAL 23 3.652 15.189 17.772 195 HG13 VAL 23 HG13 VAL 23 3.197 16.070 16.312 196 HG21 VAL 23 HG21 VAL 23 6.118 15.433 17.710 197 HG22 VAL 23 HG22 VAL 23 6.787 16.884 16.969 198 HG23 VAL 23 HG23 VAL 23 5.732 15.831 16.039 199 H LEU 24 H LEU 24 3.822 19.809 18.556 200 HA LEU 24 HA LEU 24 1.018 19.858 17.873 201 HB2 LEU 24 HB3 LEU 24 2.595 21.308 20.008 202 HB3 LEU 24 HB2 LEU 24 0.844 21.417 19.835 203 HG LEU 24 HG LEU 24 2.345 18.802 20.205 204 HD11 LEU 24 HD11 LEU 24 1.774 18.881 22.519 205 HD12 LEU 24 HD12 LEU 24 0.710 20.269 22.288 206 HD13 LEU 24 HD13 LEU 24 2.456 20.463 22.149 207 HD21 LEU 24 HD21 LEU 24 0.217 18.398 19.186 208 HD22 LEU 24 HD22 LEU 24 -0.586 19.580 20.217 209 HD23 LEU 24 HD23 LEU 24 -0.009 18.059 20.901 210 H ARG 25 H ARG 25 3.739 21.820 17.034 211 HA ARG 25 HA ARG 25 2.218 24.241 16.596 212 HB2 ARG 25 HB3 ARG 25 4.696 24.106 17.189 213 HB3 ARG 25 HB2 ARG 25 4.970 23.659 15.508 214 HG2 ARG 25 HG3 ARG 25 3.340 26.115 16.167 215 HG3 ARG 25 HG2 ARG 25 5.099 26.190 16.217 216 HD2 ARG 25 HD3 ARG 25 5.019 25.142 13.851 217 HD3 ARG 25 HD2 ARG 25 3.319 25.599 13.855 218 HE ARG 25 HE ARG 25 3.941 27.850 13.737 219 HH11 ARG 25 HH11 ARG 25 6.776 25.847 14.244 220 HH12 ARG 25 HH12 ARG 25 7.883 27.129 13.889 221 HH21 ARG 25 HH21 ARG 25 5.418 29.481 13.286 222 HH22 ARG 25 HH22 ARG 25 7.120 29.169 13.354 223 H GLU 26 H GLU 26 3.873 21.920 14.399 224 HA GLU 26 HA GLU 26 1.926 22.695 12.311 225 HB2 GLU 26 HB3 GLU 26 3.736 22.686 10.632 226 HB3 GLU 26 HB2 GLU 26 3.975 23.927 11.858 227 HG2 GLU 26 HG3 GLU 26 5.543 22.419 13.056 228 HG3 GLU 26 HG2 GLU 26 5.328 21.211 11.791 229 H ALA 27 H ALA 27 2.176 20.242 14.056 230 HA ALA 27 HA ALA 27 1.982 17.953 13.842 231 HB1 ALA 27 HB1 ALA 27 0.367 19.037 11.953 232 HB2 ALA 27 HB2 ALA 27 0.527 17.300 12.206 233 HB3 ALA 27 HB3 ALA 27 1.442 18.092 10.925 234 H GLY 28 H GLY 28 4.524 18.715 13.858 235 HA2 GLY 28 HA3 GLY 28 6.170 18.182 11.673 236 HA3 GLY 28 HA2 GLY 28 6.664 18.083 13.353 237 H THR 29 H THR 29 5.035 15.943 14.227 238 HA THR 29 HA THR 29 5.017 13.647 12.611 239 HB THR 29 HB THR 29 7.166 12.686 14.088 240 HG1 THR 29 HG1 THR 29 8.804 14.300 13.645 241 HG21 THR 29 HG21 THR 29 7.985 13.859 11.509 242 HG22 THR 29 HG22 THR 29 6.541 12.850 11.413 243 HG23 THR 29 HG23 THR 29 8.041 12.185 12.055 244 H GLU 30 H GLU 30 5.483 11.584 14.289 245 HA GLU 30 HA GLU 30 4.438 12.154 16.939 246 HB2 GLU 30 HB3 GLU 30 2.523 10.585 16.694 247 HB3 GLU 30 HB2 GLU 30 2.358 12.013 15.680 248 HG2 GLU 30 HG3 GLU 30 3.703 9.655 14.430 249 HG3 GLU 30 HG2 GLU 30 1.980 9.502 14.751 250 H ALA 31 H ALA 31 6.810 11.364 16.872 251 HA ALA 31 HA ALA 31 7.012 8.433 16.763 252 HB1 ALA 31 HB1 ALA 31 9.482 8.971 17.159 253 HB2 ALA 31 HB2 ALA 31 9.041 10.656 16.876 254 HB3 ALA 31 HB3 ALA 31 8.797 9.455 15.608 255 HA PRO 32 HA PRO 32 6.659 8.582 21.298 256 HB2 PRO 32 HB3 PRO 32 6.464 5.914 21.703 257 HB3 PRO 32 HB2 PRO 32 5.114 6.875 21.064 258 HG2 PRO 32 HG3 PRO 32 7.095 5.203 19.570 259 HG3 PRO 32 HG2 PRO 32 5.335 5.260 19.404 260 HD2 PRO 32 HD3 PRO 32 6.973 6.574 17.728 261 HD3 PRO 32 HD2 PRO 32 5.375 7.207 18.184 262 H HIS 33 H HIS 33 7.779 7.001 23.041 263 HA HIS 33 HA HIS 33 9.714 6.420 24.108 264 HB2 HIS 33 HB3 HIS 33 10.528 5.644 21.301 265 HB3 HIS 33 HB2 HIS 33 11.455 5.248 22.747 266 HD1 HIS 33 HD1 HIS 33 10.440 3.499 24.385 267 HD2 HIS 33 HD2 HIS 33 8.101 4.193 21.010 268 HE1 HIS 33 HE1 HIS 33 8.690 1.668 24.339 269 HE2 HIS 33 HE2 HIS 33 7.259 2.072 22.280 270 H THR 34 H THR 34 9.364 9.145 23.325 271 HA THR 34 HA THR 34 12.167 10.009 22.899 272 HB THR 34 HB THR 34 11.221 12.170 22.160 273 HG1 THR 34 HG1 THR 34 9.219 11.803 23.371 274 HG21 THR 34 HG21 THR 34 11.671 10.204 20.593 275 HG22 THR 34 HG22 THR 34 10.566 11.442 19.992 276 HG23 THR 34 HG23 THR 34 9.931 9.919 20.615 277 H GLY 35 H GLY 35 10.356 9.338 25.422 278 HA2 GLY 35 HA3 GLY 35 11.434 11.517 27.049 279 HA3 GLY 35 HA2 GLY 35 9.697 11.223 27.124 280 H GLU 36 H GLU 36 12.565 10.539 28.556 281 HA GLU 36 HA GLU 36 12.314 7.788 29.227 282 HB2 GLU 36 HB3 GLU 36 14.128 8.230 30.760 283 HB3 GLU 36 HB2 GLU 36 14.389 9.106 29.255 284 HG2 GLU 36 HG3 GLU 36 13.467 11.162 30.295 285 HG3 GLU 36 HG2 GLU 36 13.282 10.291 31.810 286 H TYR 37 H TYR 37 10.848 10.636 30.459 287 HA TYR 37 HA TYR 37 10.208 9.646 33.080 288 HB2 TYR 37 HB3 TYR 37 9.156 11.981 31.475 289 HB3 TYR 37 HB2 TYR 37 8.671 11.635 33.136 290 HD1 TYR 37 HD1 TYR 37 11.405 12.758 30.953 291 HD2 TYR 37 HD2 TYR 37 10.272 11.816 34.988 292 HE1 TYR 37 HE1 TYR 37 13.456 13.875 31.791 293 HE2 TYR 37 HE2 TYR 37 12.322 12.933 35.825 294 HH TYR 37 HH TYR 37 13.944 14.538 35.152 295 H THR 38 H THR 38 8.919 8.934 30.011 296 HA THR 38 HA THR 38 6.162 8.617 30.730 297 HB THR 38 HB THR 38 5.998 7.372 28.612 298 HG1 THR 38 HG1 THR 38 7.742 6.710 27.572 299 HG21 THR 38 HG21 THR 38 7.007 9.183 27.110 300 HG22 THR 38 HG22 THR 38 7.595 9.934 28.594 301 HG23 THR 38 HG23 THR 38 5.863 9.731 28.335 302 H ASN 39 H ASN 39 5.044 6.559 30.909 303 HA ASN 39 HA ASN 39 6.700 4.257 31.688 304 HB2 ASN 39 HB3 ASN 39 4.482 5.377 33.417 305 HB3 ASN 39 HB2 ASN 39 5.430 3.926 33.747 306 HD21 ASN 39 HD21 ASN 39 5.204 6.890 34.941 307 HD22 ASN 39 HD22 ASN 39 6.835 7.270 35.218 308 H THR 40 H THR 40 3.408 5.506 31.244 309 HA THR 40 HA THR 40 1.478 4.550 30.460 310 HB THR 40 HB THR 40 1.741 3.252 28.364 311 HG1 THR 40 HG1 THR 40 3.935 3.017 27.635 312 HG21 THR 40 HG21 THR 40 3.381 5.760 28.751 313 HG22 THR 40 HG22 THR 40 1.740 5.622 28.115 314 HG23 THR 40 HG23 THR 40 3.107 5.045 27.162 315 H THR 41 H THR 41 3.082 2.997 32.595 316 HA THR 41 HA THR 41 2.613 0.224 32.186 317 HB THR 41 HB THR 41 2.898 1.776 34.780 318 HG1 THR 41 HG1 THR 41 4.749 2.060 33.710 319 HG21 THR 41 HG21 THR 41 1.947 -0.556 34.980 320 HG22 THR 41 HG22 THR 41 3.504 -0.346 35.782 321 HG23 THR 41 HG23 THR 41 3.420 -1.160 34.220 322 H THR 42 H THR 42 0.772 2.798 33.780 323 HA THR 42 HA THR 42 -1.420 1.007 34.445 324 HB THR 42 HB THR 42 -1.184 4.012 34.790 325 HG1 THR 42 HG1 THR 42 -0.763 3.303 36.994 326 HG21 THR 42 HG21 THR 42 -2.990 3.740 36.410 327 HG22 THR 42 HG22 THR 42 -3.016 2.001 36.128 328 HG23 THR 42 HG23 THR 42 -3.511 3.109 34.849 329 H GLU 43 H GLU 43 -3.520 1.176 33.615 330 HA GLU 43 HA GLU 43 -3.713 2.485 30.966 331 HB2 GLU 43 HB3 GLU 43 -4.924 -0.063 32.052 332 HB3 GLU 43 HB2 GLU 43 -5.590 0.750 30.636 333 HG2 GLU 43 HG3 GLU 43 -3.416 0.599 29.502 334 HG3 GLU 43 HG2 GLU 43 -2.712 -0.167 30.924 335 H GLY 44 H GLY 44 -4.535 4.439 31.580 336 HA2 GLY 44 HA3 GLY 44 -7.216 4.390 32.822 337 HA3 GLY 44 HA2 GLY 44 -5.993 5.525 33.363 338 H ILE 45 H ILE 45 -5.871 7.450 32.424 339 HA ILE 45 HA ILE 45 -7.372 7.850 29.901 340 HB ILE 45 HB ILE 45 -7.081 9.699 32.274 341 HG12 ILE 45 HG13 ILE 45 -9.673 8.599 31.185 342 HG13 ILE 45 HG12 ILE 45 -8.706 7.619 32.286 343 HG21 ILE 45 HG21 ILE 45 -8.534 10.093 29.640 344 HG22 ILE 45 HG22 ILE 45 -7.101 10.976 30.181 345 HG23 ILE 45 HG23 ILE 45 -8.639 11.180 31.027 346 HD11 ILE 45 HD11 ILE 45 -10.504 9.123 33.341 347 HD12 ILE 45 HD12 ILE 45 -9.433 10.471 32.954 348 HD13 ILE 45 HD13 ILE 45 -8.882 9.186 34.037 349 H TYR 46 H TYR 46 -6.392 8.790 28.278 350 HA TYR 46 HA TYR 46 -3.605 9.526 28.427 351 HB2 TYR 46 HB3 TYR 46 -5.690 9.534 26.251 352 HB3 TYR 46 HB2 TYR 46 -4.117 10.266 25.995 353 HD1 TYR 46 HD1 TYR 46 -5.872 7.428 25.304 354 HD2 TYR 46 HD2 TYR 46 -2.155 8.575 27.095 355 HE1 TYR 46 HE1 TYR 46 -4.880 5.214 24.711 356 HE2 TYR 46 HE2 TYR 46 -1.173 6.376 26.522 357 HH TYR 46 HH TYR 46 -3.019 3.745 25.571 358 H SER 47 H SER 47 -2.800 11.608 28.562 359 HA SER 47 HA SER 47 -4.729 13.791 28.327 360 HB2 SER 47 HB3 SER 47 -2.906 13.348 30.672 361 HB3 SER 47 HB2 SER 47 -3.781 14.847 30.373 362 HG SER 47 HG SER 47 -5.607 13.890 30.881 363 H CYS 48 H CYS 48 -4.056 15.448 27.190 364 HA CYS 48 HA CYS 48 -1.778 15.545 25.647 365 HB2 CYS 48 HB3 CYS 48 -3.974 17.185 26.037 366 HB3 CYS 48 HB2 CYS 48 -2.653 18.214 26.545 367 H ARG 49 H ARG 49 0.300 15.860 26.052 368 HA ARG 49 HA ARG 49 1.344 16.304 28.651 369 HB2 ARG 49 HB3 ARG 49 2.491 15.187 26.657 370 HB3 ARG 49 HB2 ARG 49 2.799 16.807 26.043 371 HG2 ARG 49 HG3 ARG 49 3.579 16.215 28.886 372 HG3 ARG 49 HG2 ARG 49 4.564 15.523 27.602 373 HD2 ARG 49 HD3 ARG 49 4.783 17.826 26.615 374 HD3 ARG 49 HD2 ARG 49 3.956 18.460 28.031 375 HE ARG 49 HE ARG 49 6.680 17.437 27.921 376 HH11 ARG 49 HH11 ARG 49 3.984 18.340 29.972 377 HH12 ARG 49 HH12 ARG 49 4.975 18.557 31.374 378 HH21 ARG 49 HH21 ARG 49 7.930 17.728 29.768 379 HH22 ARG 49 HH22 ARG 49 7.192 18.213 31.258 380 H ALA 50 H ALA 50 0.620 18.372 25.929 381 HA ALA 50 HA ALA 50 1.923 20.742 26.700 382 HB1 ALA 50 HB1 ALA 50 0.338 21.802 25.111 383 HB2 ALA 50 HB2 ALA 50 -0.548 20.276 25.034 384 HB3 ALA 50 HB3 ALA 50 1.120 20.365 24.452 385 H CYS 51 H CYS 51 -1.484 19.783 27.170 386 HA CYS 51 HA CYS 51 -1.762 22.022 29.089 387 HB2 CYS 51 HB3 CYS 51 -4.319 21.615 28.414 388 HB3 CYS 51 HB2 CYS 51 -3.266 22.688 27.504 389 H GLY 52 H GLY 52 -2.627 18.669 28.439 390 HA2 GLY 52 HA3 GLY 52 -2.657 17.026 30.186 391 HA3 GLY 52 HA2 GLY 52 -3.102 18.291 31.325 392 H THR 53 H THR 53 -4.677 18.242 28.243 393 HA THR 53 HA THR 53 -7.280 17.909 29.448 394 HB THR 53 HB THR 53 -7.466 17.568 26.614 395 HG1 THR 53 HG1 THR 53 -5.663 19.606 27.331 396 HG21 THR 53 HG21 THR 53 -7.667 20.151 28.171 397 HG22 THR 53 HG22 THR 53 -8.934 18.923 28.148 398 HG23 THR 53 HG23 THR 53 -8.481 19.750 26.658 399 H GLU 54 H GLU 54 -8.725 16.161 29.267 400 HA GLU 54 HA GLU 54 -7.504 13.572 28.997 401 HB2 GLU 54 HB3 GLU 54 -10.410 14.360 29.313 402 HB3 GLU 54 HB2 GLU 54 -9.792 12.716 29.418 403 HG2 GLU 54 HG3 GLU 54 -8.287 13.557 31.295 404 HG3 GLU 54 HG2 GLU 54 -9.247 15.031 31.239 405 H LEU 55 H LEU 55 -6.735 14.087 26.791 406 HA LEU 55 HA LEU 55 -8.332 14.484 24.543 407 HB2 LEU 55 HB3 LEU 55 -5.643 13.330 25.105 408 HB3 LEU 55 HB2 LEU 55 -6.341 12.966 23.539 409 HG LEU 55 HG LEU 55 -6.410 15.272 22.906 410 HD11 LEU 55 HD11 LEU 55 -5.823 17.117 24.439 411 HD12 LEU 55 HD12 LEU 55 -5.671 15.972 25.762 412 HD13 LEU 55 HD13 LEU 55 -7.244 16.252 25.016 413 HD21 LEU 55 HD21 LEU 55 -3.877 15.022 24.531 414 HD22 LEU 55 HD22 LEU 55 -4.108 15.899 23.018 415 HD23 LEU 55 HD23 LEU 55 -4.140 14.134 23.027 416 H PHE 56 H PHE 56 -7.253 11.436 26.008 417 HA PHE 56 HA PHE 56 -9.555 10.065 24.822 418 HB2 PHE 56 HB3 PHE 56 -6.653 9.296 24.439 419 HB3 PHE 56 HB2 PHE 56 -7.976 8.162 24.184 420 HD1 PHE 56 HD1 PHE 56 -6.230 11.113 22.911 421 HD2 PHE 56 HD2 PHE 56 -9.651 8.569 22.395 422 HE1 PHE 56 HE1 PHE 56 -6.591 12.058 20.647 423 HE2 PHE 56 HE2 PHE 56 -10.011 9.513 20.130 424 HZ PHE 56 HZ PHE 56 -8.481 11.258 19.257 425 H ARG 57 H ARG 57 -9.920 7.895 25.787 426 HA ARG 57 HA ARG 57 -8.520 7.328 28.265 427 HB2 ARG 57 HB3 ARG 57 -10.488 7.290 29.684 428 HB3 ARG 57 HB2 ARG 57 -10.293 8.896 28.990 429 HG2 ARG 57 HG3 ARG 57 -12.070 8.538 27.428 430 HG3 ARG 57 HG2 ARG 57 -12.085 6.812 27.739 431 HD2 ARG 57 HD3 ARG 57 -13.974 7.920 28.869 432 HD3 ARG 57 HD2 ARG 57 -12.866 7.199 30.031 433 HE ARG 57 HE ARG 57 -12.202 9.938 29.546 434 HH11 ARG 57 HH11 ARG 57 -14.522 7.917 31.229 435 HH12 ARG 57 HH12 ARG 57 -14.828 9.097 32.461 436 HH21 ARG 57 HH21 ARG 57 -12.597 11.420 31.201 437 HH22 ARG 57 HH22 ARG 57 -13.750 11.061 32.441 438 H SER 58 H SER 58 -9.143 5.307 29.229 439 HA SER 58 HA SER 58 -9.331 3.210 27.315 440 HB2 SER 58 HB3 SER 58 -7.982 3.137 29.408 441 HB3 SER 58 HB2 SER 58 -9.483 3.012 30.320 442 HG SER 58 HG SER 58 -9.496 0.976 29.842 443 H THR 59 H THR 59 -11.800 4.837 27.360 444 HA THR 59 HA THR 59 -13.762 2.976 28.484 445 HB THR 59 HB THR 59 -14.027 5.456 28.830 446 HG1 THR 59 HG1 THR 59 -15.878 4.441 29.084 447 HG21 THR 59 HG21 THR 59 -14.514 6.935 27.094 448 HG22 THR 59 HG22 THR 59 -15.036 5.649 26.007 449 HG23 THR 59 HG23 THR 59 -13.318 5.895 26.321 450 H GLU 60 H GLU 60 -12.628 4.254 25.397 451 HA GLU 60 HA GLU 60 -14.221 2.176 24.008 452 HB2 GLU 60 HB3 GLU 60 -14.548 4.927 23.747 453 HB3 GLU 60 HB2 GLU 60 -13.506 4.531 22.378 454 HG2 GLU 60 HG3 GLU 60 -15.837 4.372 21.686 455 HG3 GLU 60 HG2 GLU 60 -15.137 2.757 21.710 456 H LYS 61 H LYS 61 -11.160 3.890 24.253 457 HA LYS 61 HA LYS 61 -10.008 2.891 21.856 458 HB2 LYS 61 HB3 LYS 61 -7.940 3.783 22.668 459 HB3 LYS 61 HB2 LYS 61 -9.212 4.895 23.150 460 HG2 LYS 61 HG3 LYS 61 -9.246 3.752 25.385 461 HG3 LYS 61 HG2 LYS 61 -7.830 2.831 24.887 462 HD2 LYS 61 HD3 LYS 61 -6.716 5.066 24.394 463 HD3 LYS 61 HD2 LYS 61 -8.062 5.826 25.239 464 HE2 LYS 61 HE3 LYS 61 -6.330 5.521 26.877 465 HE3 LYS 61 HE2 LYS 61 -7.543 4.298 27.200 466 HZ1 LYS 61 HZ1 LYS 61 -5.389 3.611 25.360 467 HZ2 LYS 61 HZ2 LYS 61 -6.226 2.629 26.466 468 HZ3 LYS 61 HZ3 LYS 61 -5.017 3.691 27.013 469 H PHE 62 H PHE 62 -8.029 1.511 21.820 470 HA PHE 62 HA PHE 62 -8.517 -0.937 23.395 471 HB2 PHE 62 HB3 PHE 62 -7.465 -0.375 20.662 472 HB3 PHE 62 HB2 PHE 62 -6.721 -1.724 21.518 473 HD1 PHE 62 HD1 PHE 62 -10.117 -0.303 20.750 474 HD2 PHE 62 HD2 PHE 62 -7.753 -3.829 21.406 475 HE1 PHE 62 HE1 PHE 62 -12.080 -1.722 20.219 476 HE2 PHE 62 HE2 PHE 62 -9.716 -5.246 20.872 477 HZ PHE 62 HZ PHE 62 -11.880 -4.191 20.279 478 H ASN 63 H ASN 63 -6.430 -2.242 23.765 479 HA ASN 63 HA ASN 63 -4.636 -0.532 25.296 480 HB2 ASN 63 HB3 ASN 63 -3.846 -2.571 26.317 481 HB3 ASN 63 HB2 ASN 63 -5.605 -2.605 26.272 482 HD21 ASN 63 HD21 ASN 63 -3.970 -4.991 26.452 483 HD22 ASN 63 HD22 ASN 63 -4.213 -5.890 25.033 484 H SER 64 H SER 64 -4.592 -1.071 22.170 485 HA SER 64 HA SER 64 -2.163 -2.318 21.520 486 HB2 SER 64 HB3 SER 64 -3.612 -0.062 20.114 487 HB3 SER 64 HB2 SER 64 -2.291 -0.996 19.417 488 HG SER 64 HG SER 64 -4.677 -1.632 19.122 489 H HIS 65 H HIS 65 -0.110 -1.476 21.049 490 HA HIS 65 HA HIS 65 0.509 1.237 22.000 491 HB2 HIS 65 HB3 HIS 65 0.853 -0.417 23.876 492 HB3 HIS 65 HB2 HIS 65 2.079 -1.197 22.882 493 HD1 HIS 65 HD1 HIS 65 4.049 -0.554 24.403 494 HD2 HIS 65 HD2 HIS 65 1.883 2.757 23.082 495 HE1 HIS 65 HE1 HIS 65 5.409 1.488 25.026 496 HE2 HIS 65 HE2 HIS 65 4.103 3.514 24.228 497 H CYS 66 H CYS 66 2.353 2.147 21.073 498 HA CYS 66 HA CYS 66 3.920 2.547 19.453 499 HB2 CYS 66 HB3 CYS 66 4.230 -0.358 19.973 500 HB3 CYS 66 HB2 CYS 66 4.855 0.202 18.423 501 HG CYS 66 HG CYS 66 6.375 1.909 19.731 502 H GLY 67 H GLY 67 4.301 2.307 17.080 503 HA2 GLY 67 HA3 GLY 67 3.539 2.196 14.901 504 HA3 GLY 67 HA2 GLY 67 2.398 0.958 15.426 505 H TRP 68 H TRP 68 0.671 1.846 14.223 506 HA TRP 68 HA TRP 68 -0.455 4.323 15.371 507 HB2 TRP 68 HB3 TRP 68 -0.502 3.515 12.446 508 HB3 TRP 68 HB2 TRP 68 -1.321 4.916 13.132 509 HD1 TRP 68 HD1 TRP 68 0.206 6.905 14.048 510 HE1 TRP 68 HE1 TRP 68 2.611 7.629 13.450 511 HE3 TRP 68 HE3 TRP 68 1.829 2.662 11.737 512 HZ2 TRP 68 HZ2 TRP 68 4.919 6.533 12.150 513 HZ3 TRP 68 HZ3 TRP 68 4.129 2.524 10.826 514 HH2 TRP 68 HH2 TRP 68 5.675 4.452 11.029 515 HA PRO 69 HA PRO 69 -3.510 0.732 15.498 516 HB2 PRO 69 HB3 PRO 69 -4.101 0.833 18.155 517 HB3 PRO 69 HB2 PRO 69 -2.738 -0.101 17.507 518 HG2 PRO 69 HG3 PRO 69 -2.745 2.583 18.801 519 HG3 PRO 69 HG2 PRO 69 -1.615 1.236 19.006 520 HD2 PRO 69 HD3 PRO 69 -1.064 3.400 17.432 521 HD3 PRO 69 HD2 PRO 69 -0.412 1.779 17.108 522 H SER 70 H SER 70 -5.732 0.958 15.431 523 HA SER 70 HA SER 70 -6.781 3.627 15.296 524 HB2 SER 70 HB3 SER 70 -8.821 2.577 14.561 525 HB3 SER 70 HB2 SER 70 -7.467 1.759 13.787 526 HG SER 70 HG SER 70 -9.259 0.512 14.954 527 H PHE 71 H PHE 71 -8.678 4.372 16.396 528 HA PHE 71 HA PHE 71 -9.324 3.142 18.984 529 HB2 PHE 71 HB3 PHE 71 -8.606 6.075 18.746 530 HB3 PHE 71 HB2 PHE 71 -9.094 5.226 20.202 531 HD1 PHE 71 HD1 PHE 71 -6.311 6.394 18.388 532 HD2 PHE 71 HD2 PHE 71 -7.618 3.054 20.752 533 HE1 PHE 71 HE1 PHE 71 -3.951 5.796 18.850 534 HE2 PHE 71 HE2 PHE 71 -5.258 2.458 21.214 535 HZ PHE 71 HZ PHE 71 -3.425 3.830 20.265 536 H PHE 72 H PHE 72 -11.273 4.240 19.939 537 HA PHE 72 HA PHE 72 -13.111 4.987 17.757 538 HB2 PHE 72 HB3 PHE 72 -13.645 3.719 20.447 539 HB3 PHE 72 HB2 PHE 72 -14.906 4.225 19.323 540 HD1 PHE 72 HD1 PHE 72 -12.720 1.555 20.235 541 HD2 PHE 72 HD2 PHE 72 -14.679 3.349 16.857 542 HE1 PHE 72 HE1 PHE 72 -12.422 -0.541 18.943 543 HE2 PHE 72 HE2 PHE 72 -14.385 1.250 15.571 544 HZ PHE 72 HZ PHE 72 -13.255 -0.695 16.615 545 H SER 73 H SER 73 -15.153 6.135 19.158 546 HA SER 73 HA SER 73 -14.721 8.771 19.184 547 HB2 SER 73 HB3 SER 73 -16.907 7.777 19.527 548 HB3 SER 73 HB2 SER 73 -16.443 7.278 21.146 549 HG SER 73 HG SER 73 -16.830 9.881 20.118 550 HA PRO 74 HA PRO 74 -11.969 9.686 22.645 551 HB2 PRO 74 HB3 PRO 74 -12.073 12.384 22.613 552 HB3 PRO 74 HB2 PRO 74 -11.279 11.467 21.314 553 HG2 PRO 74 HG3 PRO 74 -14.002 12.688 21.370 554 HG3 PRO 74 HG2 PRO 74 -12.786 12.716 20.078 555 HD2 PRO 74 HD3 PRO 74 -14.910 10.992 20.101 556 HD3 PRO 74 HD2 PRO 74 -13.359 10.618 19.331 557 H LEU 75 H LEU 75 -12.106 11.630 24.472 558 HA LEU 75 HA LEU 75 -13.677 10.896 26.556 559 HB2 LEU 75 HB3 LEU 75 -12.173 13.249 25.769 560 HB3 LEU 75 HB2 LEU 75 -13.620 13.755 26.620 561 HG LEU 75 HG LEU 75 -11.629 13.479 28.050 562 HD11 LEU 75 HD11 LEU 75 -14.110 13.099 28.765 563 HD12 LEU 75 HD12 LEU 75 -12.778 12.803 29.883 564 HD13 LEU 75 HD13 LEU 75 -13.552 11.447 29.047 565 HD21 LEU 75 HD21 LEU 75 -11.887 10.547 27.403 566 HD22 LEU 75 HD22 LEU 75 -10.928 11.177 28.733 567 HD23 LEU 75 HD23 LEU 75 -10.505 11.576 27.072 568 H ALA 76 H ALA 76 -14.568 13.665 24.489 569 HA ALA 76 HA ALA 76 -17.281 12.846 24.134 570 HB1 ALA 76 HB1 ALA 76 -18.448 14.206 25.631 571 HB2 ALA 76 HB2 ALA 76 -17.050 15.239 25.933 572 HB3 ALA 76 HB3 ALA 76 -17.108 13.613 26.612 573 H GLY 77 H GLY 77 -14.820 14.190 22.840 574 HA2 GLY 77 HA3 GLY 77 -14.539 15.563 21.005 575 HA3 GLY 77 HA2 GLY 77 -16.274 15.863 21.023 576 H ASP 78 H ASP 78 -14.838 16.474 24.051 577 HA ASP 78 HA ASP 78 -15.041 19.369 23.612 578 HB2 ASP 78 HB3 ASP 78 -14.997 17.675 26.107 579 HB3 ASP 78 HB2 ASP 78 -14.951 19.429 26.123 580 H LYS 79 H LYS 79 -12.770 16.857 24.534 581 HA LYS 79 HA LYS 79 -10.701 18.824 25.186 582 HB2 LYS 79 HB3 LYS 79 -10.071 15.887 25.066 583 HB3 LYS 79 HB2 LYS 79 -9.455 17.134 26.152 584 HG2 LYS 79 HG3 LYS 79 -12.284 16.015 26.262 585 HG3 LYS 79 HG2 LYS 79 -10.972 15.512 27.314 586 HD2 LYS 79 HD3 LYS 79 -10.822 17.682 28.326 587 HD3 LYS 79 HD2 LYS 79 -11.919 18.376 27.129 588 HE2 LYS 79 HE3 LYS 79 -13.748 16.978 27.937 589 HE3 LYS 79 HE2 LYS 79 -12.672 16.177 29.077 590 HZ1 LYS 79 HZ1 LYS 79 -12.248 18.615 29.854 591 HZ2 LYS 79 HZ2 LYS 79 -13.626 17.777 30.391 592 HZ3 LYS 79 HZ3 LYS 79 -13.752 18.909 29.129 593 H VAL 80 H VAL 80 -11.783 16.928 22.537 594 HA VAL 80 HA VAL 80 -9.459 17.812 20.959 595 HB VAL 80 HB VAL 80 -9.448 15.671 19.726 596 HG11 VAL 80 HG11 VAL 80 -9.071 15.504 22.722 597 HG12 VAL 80 HG12 VAL 80 -7.850 15.885 21.506 598 HG13 VAL 80 HG13 VAL 80 -8.527 14.256 21.599 599 HG21 VAL 80 HG21 VAL 80 -10.674 13.735 20.578 600 HG22 VAL 80 HG22 VAL 80 -11.811 15.032 20.204 601 HG23 VAL 80 HG23 VAL 80 -11.361 14.710 21.880 602 H ILE 81 H ILE 81 -9.902 18.285 18.820 603 HA ILE 81 HA ILE 81 -12.745 18.269 18.028 604 HB ILE 81 HB ILE 81 -10.803 20.519 18.234 605 HG12 ILE 81 HG13 ILE 81 -12.891 21.825 18.503 606 HG13 ILE 81 HG12 ILE 81 -13.834 20.382 18.163 607 HG21 ILE 81 HG21 ILE 81 -12.730 20.440 15.891 608 HG22 ILE 81 HG22 ILE 81 -10.970 20.374 15.767 609 HG23 ILE 81 HG23 ILE 81 -11.758 21.825 16.388 610 HD11 ILE 81 HD11 ILE 81 -13.092 21.216 20.679 611 HD12 ILE 81 HD12 ILE 81 -11.839 20.030 20.314 612 HD13 ILE 81 HD13 ILE 81 -13.535 19.562 20.261 613 H GLU 82 H GLU 82 -13.234 17.830 15.969 614 HA GLU 82 HA GLU 82 -11.040 16.776 14.284 615 HB2 GLU 82 HB3 GLU 82 -13.967 16.045 14.041 616 HB3 GLU 82 HB2 GLU 82 -12.578 15.204 13.364 617 HG2 GLU 82 HG3 GLU 82 -11.850 14.870 15.848 618 HG3 GLU 82 HG2 GLU 82 -13.517 15.277 16.228 619 H ARG 83 H ARG 83 -10.658 17.802 12.425 620 HA ARG 83 HA ARG 83 -12.814 19.348 11.127 621 HB2 ARG 83 HB3 ARG 83 -9.985 20.309 11.639 622 HB3 ARG 83 HB2 ARG 83 -11.152 21.130 10.603 623 HG2 ARG 83 HG3 ARG 83 -12.665 21.456 12.485 624 HG3 ARG 83 HG2 ARG 83 -11.605 20.518 13.538 625 HD2 ARG 83 HD3 ARG 83 -11.203 22.884 13.930 626 HD3 ARG 83 HD2 ARG 83 -9.795 22.189 13.133 627 HE ARG 83 HE ARG 83 -11.595 23.234 11.194 628 HH11 ARG 83 HH11 ARG 83 -9.288 24.283 13.615 629 HH12 ARG 83 HH12 ARG 83 -8.926 25.764 12.793 630 HH21 ARG 83 HH21 ARG 83 -11.090 25.170 10.158 631 HH22 ARG 83 HH22 ARG 83 -9.938 26.259 10.854 632 H THR 84 H THR 84 -12.636 19.451 8.829 633 HA THR 84 HA THR 84 -10.805 17.430 7.715 634 HB THR 84 HB THR 84 -13.248 17.083 7.391 635 HG1 THR 84 HG1 THR 84 -11.986 16.182 5.877 636 HG21 THR 84 HG21 THR 84 -13.024 19.609 5.736 637 HG22 THR 84 HG22 THR 84 -13.957 19.428 7.224 638 HG23 THR 84 HG23 THR 84 -14.428 18.542 5.772 639 H ASP 85 H ASP 85 -9.588 17.831 5.861 640 HA ASP 85 HA ASP 85 -9.391 20.670 5.022 641 HB2 ASP 85 HB3 ASP 85 -7.561 20.024 6.622 642 HB3 ASP 85 HB2 ASP 85 -7.023 18.835 5.443 643 H THR 86 H THR 86 -9.949 20.739 2.961 644 HA THR 86 HA THR 86 -9.748 18.502 1.175 645 HB THR 86 HB THR 86 -10.460 21.343 0.427 646 HG1 THR 86 HG1 THR 86 -11.678 20.697 2.243 647 HG21 THR 86 HG21 THR 86 -12.050 19.960 -1.083 648 HG22 THR 86 HG22 THR 86 -11.010 18.593 -0.685 649 HG23 THR 86 HG23 THR 86 -10.338 20.002 -1.505 650 H SER 87 H SER 87 -7.391 18.413 1.547 651 HA SER 87 HA SER 87 -5.847 20.337 -0.066 652 HB2 SER 87 HB3 SER 87 -4.956 18.234 1.916 653 HB3 SER 87 HB2 SER 87 -3.864 19.265 0.995 654 HG SER 87 HG SER 87 -4.309 20.168 3.029 655 H HIS 88 H HIS 88 -4.722 19.770 -1.842 656 HA HIS 88 HA HIS 88 -4.115 18.618 -3.718 657 HB2 HIS 88 HB3 HIS 88 -4.063 16.317 -1.753 658 HB3 HIS 88 HB2 HIS 88 -3.426 16.239 -3.395 659 HD1 HIS 88 HD1 HIS 88 -2.855 17.992 -0.089 660 HD2 HIS 88 HD2 HIS 88 -0.929 17.485 -3.752 661 HE1 HIS 88 HE1 HIS 88 -0.525 18.945 0.189 662 HE2 HIS 88 HE2 HIS 88 0.662 18.641 -2.035 663 H GLY 89 H GLY 89 -6.974 18.945 -3.157 664 HA2 GLY 89 HA3 GLY 89 -8.868 18.442 -4.400 665 HA3 GLY 89 HA2 GLY 89 -7.968 17.162 -5.198 666 H MET 90 H MET 90 -7.628 16.720 -1.897 667 HA MET 90 HA MET 90 -10.060 15.072 -1.670 668 HB2 MET 90 HB3 MET 90 -8.733 13.237 -0.728 669 HB3 MET 90 HB2 MET 90 -8.185 13.635 -2.354 670 HG2 MET 90 HG3 MET 90 -6.344 14.994 -1.393 671 HG3 MET 90 HG2 MET 90 -6.869 14.533 0.226 672 HE1 MET 90 HE1 MET 90 -5.301 13.653 -3.055 673 HE2 MET 90 HE2 MET 90 -6.628 12.502 -3.199 674 HE3 MET 90 HE3 MET 90 -4.977 11.915 -3.019 675 H VAL 91 H VAL 91 -10.655 14.551 0.541 676 HA VAL 91 HA VAL 91 -9.666 16.578 2.444 677 HB VAL 91 HB VAL 91 -11.902 16.125 3.636 678 HG11 VAL 91 HG11 VAL 91 -11.497 18.250 2.645 679 HG12 VAL 91 HG12 VAL 91 -13.091 17.731 2.095 680 HG13 VAL 91 HG13 VAL 91 -11.701 17.599 1.017 681 HG21 VAL 91 HG21 VAL 91 -12.433 14.132 2.153 682 HG22 VAL 91 HG22 VAL 91 -12.757 15.295 0.867 683 HG23 VAL 91 HG23 VAL 91 -13.725 15.317 2.342 684 H ARG 92 H ARG 92 -9.110 16.098 4.446 685 HA ARG 92 HA ARG 92 -9.306 13.325 5.395 686 HB2 ARG 92 HB3 ARG 92 -6.821 15.059 5.354 687 HB3 ARG 92 HB2 ARG 92 -6.973 13.563 6.269 688 HG2 ARG 92 HG3 ARG 92 -7.305 12.279 4.240 689 HG3 ARG 92 HG2 ARG 92 -7.391 13.753 3.274 690 HD2 ARG 92 HD3 ARG 92 -4.962 12.920 4.882 691 HD3 ARG 92 HD2 ARG 92 -5.159 12.605 3.161 692 HE ARG 92 HE ARG 92 -5.573 15.344 3.546 693 HH11 ARG 92 HH11 ARG 92 -2.954 13.042 3.920 694 HH12 ARG 92 HH12 ARG 92 -1.722 14.222 3.617 695 HH21 ARG 92 HH21 ARG 92 -3.938 16.841 3.152 696 HH22 ARG 92 HH22 ARG 92 -2.276 16.353 3.187 697 H THR 93 H THR 93 -9.730 13.212 7.602 698 HA THR 93 HA THR 93 -10.371 15.760 8.863 699 HB THR 93 HB THR 93 -10.778 12.992 10.006 700 HG1 THR 93 HG1 THR 93 -12.403 14.606 8.338 701 HG21 THR 93 HG21 THR 93 -12.638 14.271 11.196 702 HG22 THR 93 HG22 THR 93 -11.887 15.748 10.587 703 HG23 THR 93 HG23 THR 93 -10.995 14.692 11.684 704 H GLU 94 H GLU 94 -8.761 16.792 9.768 705 HA GLU 94 HA GLU 94 -6.503 15.421 10.971 706 HB2 GLU 94 HB3 GLU 94 -7.165 18.378 10.810 707 HB3 GLU 94 HB2 GLU 94 -5.634 17.696 11.351 708 HG2 GLU 94 HG3 GLU 94 -5.312 16.669 9.128 709 HG3 GLU 94 HG2 GLU 94 -6.833 17.368 8.585 710 H VAL 95 H VAL 95 -6.432 14.864 13.047 711 HA VAL 95 HA VAL 95 -8.506 15.791 14.879 712 HB VAL 95 HB VAL 95 -6.267 13.761 15.205 713 HG11 VAL 95 HG11 VAL 95 -8.464 14.652 17.097 714 HG12 VAL 95 HG12 VAL 95 -6.729 14.546 17.409 715 HG13 VAL 95 HG13 VAL 95 -7.685 13.073 17.243 716 HG21 VAL 95 HG21 VAL 95 -8.066 13.115 13.628 717 HG22 VAL 95 HG22 VAL 95 -9.266 13.422 14.884 718 HG23 VAL 95 HG23 VAL 95 -8.092 12.120 15.085 719 H ILE 96 H ILE 96 -8.207 17.526 16.107 720 HA ILE 96 HA ILE 96 -5.465 18.195 16.990 721 HB ILE 96 HB ILE 96 -6.001 20.595 16.770 722 HG12 ILE 96 HG13 ILE 96 -8.083 20.941 15.074 723 HG13 ILE 96 HG12 ILE 96 -8.649 19.490 15.886 724 HG21 ILE 96 HG21 ILE 96 -6.199 18.855 14.312 725 HG22 ILE 96 HG22 ILE 96 -4.787 19.686 14.967 726 HG23 ILE 96 HG23 ILE 96 -6.080 20.614 14.213 727 HD11 ILE 96 HD11 ILE 96 -8.718 20.550 17.995 728 HD12 ILE 96 HD12 ILE 96 -9.324 21.780 16.889 729 HD13 ILE 96 HD13 ILE 96 -7.660 21.857 17.468 730 H CYS 97 H CYS 97 -5.367 19.258 18.999 731 HA CYS 97 HA CYS 97 -7.311 18.358 20.908 732 HB2 CYS 97 HB3 CYS 97 -4.890 18.572 21.337 733 HB3 CYS 97 HB2 CYS 97 -5.037 20.308 21.244 734 H ALA 98 H ALA 98 -8.894 19.485 21.920 735 HA ALA 98 HA ALA 98 -10.160 21.593 20.590 736 HB1 ALA 98 HB1 ALA 98 -11.699 21.622 22.384 737 HB2 ALA 98 HB2 ALA 98 -10.499 21.027 23.531 738 HB3 ALA 98 HB3 ALA 98 -11.138 19.953 22.284 739 H ASN 99 H ASN 99 -7.557 21.678 22.880 740 HA ASN 99 HA ASN 99 -7.943 24.583 23.309 741 HB2 ASN 99 HB3 ASN 99 -6.279 24.257 25.152 742 HB3 ASN 99 HB2 ASN 99 -7.781 23.375 25.334 743 HD21 ASN 99 HD21 ASN 99 -7.443 21.310 26.093 744 HD22 ASN 99 HD22 ASN 99 -6.128 20.331 25.665 745 H CYS 100 H CYS 100 -5.716 22.222 22.037 746 HA CYS 100 HA CYS 100 -4.081 24.434 20.948 747 HB2 CYS 100 HB3 CYS 100 -2.011 23.173 21.393 748 HB3 CYS 100 HB2 CYS 100 -2.860 23.602 22.872 749 H GLU 101 H GLU 101 -2.618 23.709 19.144 750 HA GLU 101 HA GLU 101 -4.237 22.238 17.256 751 HB2 GLU 101 HB3 GLU 101 -1.619 23.727 17.031 752 HB3 GLU 101 HB2 GLU 101 -2.322 22.841 15.677 753 HG2 GLU 101 HG3 GLU 101 -4.327 24.191 15.746 754 HG3 GLU 101 HG2 GLU 101 -3.815 24.965 17.241 755 H SER 102 H SER 102 -4.094 20.173 18.439 756 HA SER 102 HA SER 102 -1.558 18.743 18.208 757 HB2 SER 102 HB3 SER 102 -4.217 17.799 19.295 758 HB3 SER 102 HB2 SER 102 -2.719 16.883 19.324 759 HG SER 102 HG SER 102 -2.413 17.897 21.139 760 H HIS 103 H HIS 103 -2.260 19.527 15.800 761 HA HIS 103 HA HIS 103 -3.827 17.621 14.323 762 HB2 HIS 103 HB3 HIS 103 -2.588 18.703 12.310 763 HB3 HIS 103 HB2 HIS 103 -3.722 19.690 13.215 764 HD1 HIS 103 HD1 HIS 103 -2.490 21.892 12.595 765 HD2 HIS 103 HD2 HIS 103 -0.087 19.176 14.654 766 HE1 HIS 103 HE1 HIS 103 -0.422 23.163 13.315 767 HE2 HIS 103 HE2 HIS 103 1.046 21.521 14.575 768 H LEU 104 H LEU 104 -1.409 16.687 15.976 769 HA LEU 104 HA LEU 104 0.511 15.701 14.103 770 HB2 LEU 104 HB3 LEU 104 1.368 14.423 16.018 771 HB3 LEU 104 HB2 LEU 104 1.078 16.110 16.421 772 HG LEU 104 HG LEU 104 -1.330 15.119 17.163 773 HD11 LEU 104 HD11 LEU 104 -0.641 12.780 16.525 774 HD12 LEU 104 HD12 LEU 104 -1.101 12.943 18.215 775 HD13 LEU 104 HD13 LEU 104 0.601 12.857 17.769 776 HD21 LEU 104 HD21 LEU 104 0.084 16.394 18.657 777 HD22 LEU 104 HD22 LEU 104 1.232 15.063 18.787 778 HD23 LEU 104 HD23 LEU 104 -0.380 14.909 19.486 779 H GLY 105 H GLY 105 -2.654 14.691 15.015 780 HA2 GLY 105 HA3 GLY 105 -2.198 12.074 13.694 781 HA3 GLY 105 HA2 GLY 105 -3.206 12.255 15.116 782 H HIS 106 H HIS 106 -4.108 11.104 12.759 783 HA HIS 106 HA HIS 106 -6.179 13.027 11.872 784 HB2 HIS 106 HB3 HIS 106 -4.681 10.985 10.209 785 HB3 HIS 106 HB2 HIS 106 -6.164 11.771 9.676 786 HD1 HIS 106 HD1 HIS 106 -2.646 12.682 10.803 787 HD2 HIS 106 HD2 HIS 106 -5.747 14.259 8.485 788 HE1 HIS 106 HE1 HIS 106 -1.725 14.760 9.689 789 HE2 HIS 106 HE2 HIS 106 -3.599 15.733 8.282 790 H VAL 107 H VAL 107 -8.212 11.983 11.224 791 HA VAL 107 HA VAL 107 -8.567 9.256 12.288 792 HB VAL 107 HB VAL 107 -9.339 10.855 13.987 793 HG11 VAL 107 HG11 VAL 107 -9.932 12.658 12.290 794 HG12 VAL 107 HG12 VAL 107 -11.080 12.434 13.610 795 HG13 VAL 107 HG13 VAL 107 -11.430 11.769 12.014 796 HG21 VAL 107 HG21 VAL 107 -10.522 8.771 13.933 797 HG22 VAL 107 HG22 VAL 107 -11.483 9.284 12.546 798 HG23 VAL 107 HG23 VAL 107 -11.737 10.036 14.121 799 H PHE 108 H PHE 108 -9.997 7.970 11.205 800 HA PHE 108 HA PHE 108 -11.186 9.111 8.729 801 HB2 PHE 108 HB3 PHE 108 -9.909 6.400 9.137 802 HB3 PHE 108 HB2 PHE 108 -10.815 6.865 7.697 803 HD1 PHE 108 HD1 PHE 108 -7.706 7.332 9.596 804 HD2 PHE 108 HD2 PHE 108 -9.973 8.608 6.178 805 HE1 PHE 108 HE1 PHE 108 -5.687 8.435 8.668 806 HE2 PHE 108 HE2 PHE 108 -7.955 9.712 5.251 807 HZ PHE 108 HZ PHE 108 -5.812 9.625 6.495 808 H ALA 109 H ALA 109 -13.223 8.406 8.111 809 HA ALA 109 HA ALA 109 -14.696 6.837 10.145 810 HB1 ALA 109 HB1 ALA 109 -16.700 8.173 9.165 811 HB2 ALA 109 HB2 ALA 109 -15.455 9.271 8.566 812 HB3 ALA 109 HB3 ALA 109 -15.612 8.975 10.297 813 H GLY 110 H GLY 110 -16.314 5.419 9.463 814 HA2 GLY 110 HA3 GLY 110 -17.518 4.060 8.028 815 HA3 GLY 110 HA2 GLY 110 -16.900 4.993 6.674 816 H GLU 111 H GLU 111 -14.586 3.654 8.913 817 HA GLU 111 HA GLU 111 -13.357 2.112 6.834 818 HB2 GLU 111 HB3 GLU 111 -12.121 3.214 8.727 819 HB3 GLU 111 HB2 GLU 111 -12.768 1.969 9.793 820 HG2 GLU 111 HG3 GLU 111 -10.552 1.281 9.046 821 HG3 GLU 111 HG2 GLU 111 -11.752 0.227 8.316 822 H GLY 112 H GLY 112 -15.614 1.361 9.432 823 HA2 GLY 112 HA3 GLY 112 -17.063 -0.533 9.302 824 HA3 GLY 112 HA2 GLY 112 -15.843 -1.368 8.355 825 H TYR 113 H TYR 113 -15.591 0.293 11.520 826 HA TYR 113 HA TYR 113 -14.297 -2.100 12.611 827 HB2 TYR 113 HB3 TYR 113 -14.528 0.740 13.588 828 HB3 TYR 113 HB2 TYR 113 -13.954 -0.555 14.637 829 HD1 TYR 113 HD1 TYR 113 -13.081 1.724 11.968 830 HD2 TYR 113 HD2 TYR 113 -11.971 -1.955 13.885 831 HE1 TYR 113 HE1 TYR 113 -10.821 1.879 10.960 832 HE2 TYR 113 HE2 TYR 113 -9.711 -1.800 12.878 833 HH TYR 113 HH TYR 113 -8.570 -0.753 11.080 834 H ASP 114 H ASP 114 -17.367 -1.532 12.209 835 HA ASP 114 HA ASP 114 -19.302 -2.136 13.252 836 HB2 ASP 114 HB3 ASP 114 -17.838 -4.241 13.419 837 HB3 ASP 114 HB2 ASP 114 -17.611 -3.798 15.109 838 H THR 115 H THR 115 -18.472 0.296 14.084 839 HA THR 115 HA THR 115 -19.272 0.331 16.911 840 HB THR 115 HB THR 115 -17.728 2.563 16.814 841 HG1 THR 115 HG1 THR 115 -17.085 1.816 14.646 842 HG21 THR 115 HG21 THR 115 -17.682 0.348 18.314 843 HG22 THR 115 HG22 THR 115 -16.362 1.515 18.330 844 HG23 THR 115 HG23 THR 115 -16.226 0.045 17.363 845 HA PRO 116 HA PRO 116 -22.303 3.296 15.698 846 HB2 PRO 116 HB3 PRO 116 -22.231 5.130 17.756 847 HB3 PRO 116 HB2 PRO 116 -23.009 3.540 17.864 848 HG2 PRO 116 HG3 PRO 116 -20.322 4.394 18.832 849 HG3 PRO 116 HG2 PRO 116 -21.528 3.354 19.613 850 HD2 PRO 116 HD3 PRO 116 -19.357 2.334 18.368 851 HD3 PRO 116 HD2 PRO 116 -20.916 1.486 18.351 852 H THR 117 H THR 117 -19.093 4.473 16.465 853 HA THR 117 HA THR 117 -19.559 6.979 14.984 854 HB THR 117 HB THR 117 -17.389 7.692 15.870 855 HG1 THR 117 HG1 THR 117 -16.073 6.116 16.247 856 HG21 THR 117 HG21 THR 117 -18.539 6.516 18.333 857 HG22 THR 117 HG22 THR 117 -19.672 7.453 17.356 858 HG23 THR 117 HG23 THR 117 -18.189 8.199 17.946 859 H ASP 118 H ASP 118 -17.873 3.924 14.799 860 HA ASP 118 HA ASP 118 -16.530 2.964 13.197 861 HB2 ASP 118 HB3 ASP 118 -18.722 3.378 11.978 862 HB3 ASP 118 HB2 ASP 118 -17.976 4.816 11.294 863 H LEU 119 H LEU 119 -15.319 5.086 14.580 864 HA LEU 119 HA LEU 119 -13.849 6.601 12.539 865 HB2 LEU 119 HB3 LEU 119 -14.051 6.908 15.535 866 HB3 LEU 119 HB2 LEU 119 -12.924 7.834 14.545 867 HG LEU 119 HG LEU 119 -15.903 7.754 13.989 868 HD11 LEU 119 HD11 LEU 119 -15.248 8.697 16.291 869 HD12 LEU 119 HD12 LEU 119 -16.166 9.768 15.232 870 HD13 LEU 119 HD13 LEU 119 -14.425 9.982 15.404 871 HD21 LEU 119 HD21 LEU 119 -13.596 9.513 13.088 872 HD22 LEU 119 HD22 LEU 119 -15.287 9.941 12.827 873 HD23 LEU 119 HD23 LEU 119 -14.620 8.491 12.080 874 H ARG 120 H ARG 120 -11.638 6.574 12.365 875 HA ARG 120 HA ARG 120 -10.216 4.401 13.770 876 HB2 ARG 120 HB3 ARG 120 -10.763 3.763 11.427 877 HB3 ARG 120 HB2 ARG 120 -9.904 5.191 10.855 878 HG2 ARG 120 HG3 ARG 120 -7.831 4.339 11.978 879 HG3 ARG 120 HG2 ARG 120 -8.711 2.870 12.401 880 HD2 ARG 120 HD3 ARG 120 -9.107 2.396 10.033 881 HD3 ARG 120 HD2 ARG 120 -8.290 3.887 9.579 882 HE ARG 120 HE ARG 120 -6.583 2.261 11.181 883 HH11 ARG 120 HH11 ARG 120 -7.896 2.492 7.938 884 HH12 ARG 120 HH12 ARG 120 -6.564 1.652 7.217 885 HH21 ARG 120 HH21 ARG 120 -4.873 1.181 10.201 886 HH22 ARG 120 HH22 ARG 120 -4.867 0.917 8.489 887 H TYR 121 H TYR 121 -9.664 6.288 15.201 888 HA TYR 121 HA TYR 121 -8.076 8.448 14.298 889 HB2 TYR 121 HB3 TYR 121 -8.212 7.094 16.996 890 HB3 TYR 121 HB2 TYR 121 -7.404 8.621 16.684 891 HD1 TYR 121 HD1 TYR 121 -10.654 6.924 16.986 892 HD2 TYR 121 HD2 TYR 121 -8.666 10.643 16.208 893 HE1 TYR 121 HE1 TYR 121 -12.798 8.127 17.322 894 HE2 TYR 121 HE2 TYR 121 -10.801 11.852 16.530 895 HH TYR 121 HH TYR 121 -12.947 11.525 17.651 896 H CYS 122 H CYS 122 -6.161 8.179 13.305 897 HA CYS 122 HA CYS 122 -4.386 5.976 14.151 898 HB2 CYS 122 HB3 CYS 122 -4.305 7.725 11.669 899 HB3 CYS 122 HB2 CYS 122 -3.178 6.418 12.033 900 HG CYS 122 HG CYS 122 -4.964 4.701 11.542 901 H ILE 123 H ILE 123 -3.657 6.956 16.038 902 HA ILE 123 HA ILE 123 -1.862 9.264 15.606 903 HB ILE 123 HB ILE 123 -3.579 8.984 18.087 904 HG12 ILE 123 HG13 ILE 123 -4.131 10.633 15.582 905 HG13 ILE 123 HG12 ILE 123 -5.075 9.267 16.126 906 HG21 ILE 123 HG21 ILE 123 -1.493 10.322 18.221 907 HG22 ILE 123 HG22 ILE 123 -2.921 11.346 18.371 908 HG23 ILE 123 HG23 ILE 123 -2.037 11.284 16.848 909 HD11 ILE 123 HD11 ILE 123 -5.314 10.683 18.341 910 HD12 ILE 123 HD12 ILE 123 -6.345 11.030 16.952 911 HD13 ILE 123 HD13 ILE 123 -4.926 12.037 17.274 912 H ASN 124 H ASN 124 -0.042 9.352 16.902 913 HA ASN 124 HA ASN 124 0.575 6.866 18.383 914 HB2 ASN 124 HB3 ASN 124 1.923 7.774 16.232 915 HB3 ASN 124 HB2 ASN 124 2.765 8.671 17.490 916 HD21 ASN 124 HD21 ASN 124 3.833 6.414 15.860 917 HD22 ASN 124 HD22 ASN 124 4.276 5.209 16.970 918 H SER 125 H SER 125 2.175 7.217 20.186 919 HA SER 125 HA SER 125 1.331 9.575 21.718 920 HB2 SER 125 HB3 SER 125 1.013 7.415 22.801 921 HB3 SER 125 HB2 SER 125 2.718 7.030 22.586 922 HG SER 125 HG SER 125 1.707 8.179 24.634 923 H VAL 126 H VAL 126 2.638 11.175 20.851 924 HA VAL 126 HA VAL 126 5.516 10.872 20.746 925 HB VAL 126 HB VAL 126 4.223 12.308 19.136 926 HG11 VAL 126 HG11 VAL 126 2.847 13.338 21.163 927 HG12 VAL 126 HG12 VAL 126 3.198 14.305 19.732 928 HG13 VAL 126 HG13 VAL 126 4.174 14.506 21.190 929 HG21 VAL 126 HG21 VAL 126 5.893 14.287 19.398 930 HG22 VAL 126 HG22 VAL 126 6.548 12.672 19.151 931 HG23 VAL 126 HG23 VAL 126 6.527 13.378 20.764 932 H CYS 127 H CYS 127 4.877 10.172 23.241 933 HA CYS 127 HA CYS 127 5.497 10.509 25.418 934 HB2 CYS 127 HB3 CYS 127 7.448 11.806 24.367 935 HB3 CYS 127 HB2 CYS 127 6.512 13.264 24.696 936 HG CYS 127 HG CYS 127 7.200 13.106 27.066 937 H LEU 128 H LEU 128 3.028 10.640 25.076 938 HA LEU 128 HA LEU 128 1.814 13.173 25.900 939 HB2 LEU 128 HB3 LEU 128 0.663 11.959 24.183 940 HB3 LEU 128 HB2 LEU 128 0.733 10.456 25.092 941 HG LEU 128 HG LEU 128 -0.654 12.784 26.389 942 HD11 LEU 128 HD11 LEU 128 -2.131 11.078 24.377 943 HD12 LEU 128 HD12 LEU 128 -1.423 12.634 23.938 944 HD13 LEU 128 HD13 LEU 128 -2.673 12.554 25.177 945 HD21 LEU 128 HD21 LEU 128 -0.622 10.821 27.698 946 HD22 LEU 128 HD22 LEU 128 -0.922 9.781 26.314 947 HD23 LEU 128 HD23 LEU 128 -2.219 10.781 26.963 948 H THR 129 H THR 129 0.558 13.327 27.874 949 HA THR 129 HA THR 129 1.842 11.868 30.056 950 HB THR 129 HB THR 129 -0.190 14.118 30.158 951 HG1 THR 129 HG1 THR 129 2.631 14.167 30.432 952 HG21 THR 129 HG21 THR 129 1.771 13.157 32.264 953 HG22 THR 129 HG22 THR 129 0.060 12.726 32.245 954 HG23 THR 129 HG23 THR 129 0.543 14.411 32.450 955 H LEU 130 H LEU 130 1.032 10.157 31.021 956 HA LEU 130 HA LEU 130 -1.723 9.327 30.511 957 HB2 LEU 130 HB3 LEU 130 -0.173 7.522 30.278 958 HB3 LEU 130 HB2 LEU 130 0.665 7.941 31.767 959 HG LEU 130 HG LEU 130 -1.419 7.327 33.053 960 HD11 LEU 130 HD11 LEU 130 -2.835 7.566 30.813 961 HD12 LEU 130 HD12 LEU 130 -3.319 6.484 32.117 962 HD13 LEU 130 HD13 LEU 130 -2.495 5.840 30.696 963 HD21 LEU 130 HD21 LEU 130 -0.443 5.054 31.333 964 HD22 LEU 130 HD22 LEU 130 -1.114 4.973 32.965 965 HD23 LEU 130 HD23 LEU 130 0.460 5.727 32.693 966 H ILE 131 H ILE 131 -3.223 8.957 32.040 967 HA ILE 131 HA ILE 131 -2.748 10.111 34.716 968 HB ILE 131 HB ILE 131 -5.381 9.727 33.283 969 HG12 ILE 131 HG13 ILE 131 -4.117 11.519 32.174 970 HG13 ILE 131 HG12 ILE 131 -5.463 12.199 33.075 971 HG21 ILE 131 HG21 ILE 131 -4.609 10.776 35.994 972 HG22 ILE 131 HG22 ILE 131 -5.879 9.632 35.555 973 HG23 ILE 131 HG23 ILE 131 -6.089 11.350 35.212 974 HD11 ILE 131 HD11 ILE 131 -3.372 13.520 33.363 975 HD12 ILE 131 HD12 ILE 131 -2.592 12.100 34.059 976 HD13 ILE 131 HD13 ILE 131 -3.949 12.856 34.894 977 HA PRO 132 HA PRO 132 -3.082 5.603 35.413 978 HB2 PRO 132 HB3 PRO 132 -2.388 5.724 38.097 979 HB3 PRO 132 HB2 PRO 132 -1.236 5.573 36.760 980 HG2 PRO 132 HG3 PRO 132 -1.946 7.939 38.372 981 HG3 PRO 132 HG2 PRO 132 -0.438 7.525 37.548 982 HD2 PRO 132 HD3 PRO 132 -2.253 9.381 36.670 983 HD3 PRO 132 HD2 PRO 132 -1.038 8.580 35.652 984 H ALA 133 H ALA 133 -5.318 5.796 35.076 985 HA ALA 133 HA ALA 133 -7.228 6.900 36.696 986 HB1 ALA 133 HB1 ALA 133 -8.720 4.946 35.846 987 HB2 ALA 133 HB2 ALA 133 -7.291 4.473 34.928 988 HB3 ALA 133 HB3 ALA 133 -8.021 6.058 34.670 989 H GLU 134 H GLU 134 -6.813 3.325 36.834 990 HA GLU 134 HA GLU 134 -6.331 3.196 39.626 991 HB2 GLU 134 HB3 GLU 134 -8.696 4.091 39.616 992 HB3 GLU 134 HB2 GLU 134 -9.187 2.579 38.860 993 HG2 GLU 134 HG3 GLU 134 -9.528 2.414 41.271 994 HG3 GLU 134 HG2 GLU 134 -8.224 1.334 40.795 995 H GLU 135 H GLU 135 -7.793 1.635 36.804 996 HA GLU 135 HA GLU 135 -7.708 -0.509 36.007 997 HB2 GLU 135 HB3 GLU 135 -5.189 -0.626 37.692 998 HB3 GLU 135 HB2 GLU 135 -5.652 -1.820 36.480 999 HG2 GLU 135 HG3 GLU 135 -5.649 -0.035 34.752 1000 HG3 GLU 135 HG2 GLU 135 -5.108 1.118 35.972 1001 H SER 136 H SER 136 -9.469 -0.129 37.972 1002 HA SER 136 HA SER 136 -9.234 -1.942 40.174 1003 HB2 SER 136 HB3 SER 136 -11.521 -0.405 38.958 1004 HB3 SER 136 HB2 SER 136 -11.784 -1.558 40.264 1005 HG SER 136 HG SER 136 -10.683 -0.303 41.613 Start of MODEL 18 1 H MET 1 H1 MET 1 -5.601 26.094 33.964 2 HA MET 1 HA MET 1 -5.498 25.278 31.863 3 HB2 MET 1 HB3 MET 1 -8.405 26.108 31.692 4 HB3 MET 1 HB2 MET 1 -7.497 25.536 30.292 5 HG2 MET 1 HG3 MET 1 -6.996 23.429 31.458 6 HG3 MET 1 HG2 MET 1 -7.868 23.998 32.880 7 HE1 MET 1 HE1 MET 1 -10.000 21.136 31.203 8 HE2 MET 1 HE2 MET 1 -9.331 21.697 32.734 9 HE3 MET 1 HE3 MET 1 -8.253 21.341 31.387 10 H THR 2 H THR 2 -7.556 28.203 31.945 11 HA THR 2 HA THR 2 -7.289 30.301 31.051 12 HB THR 2 HB THR 2 -4.312 29.805 31.112 13 HG1 THR 2 HG1 THR 2 -4.373 29.754 33.205 14 HG21 THR 2 HG21 THR 2 -4.839 31.944 30.224 15 HG22 THR 2 HG22 THR 2 -4.437 32.239 31.915 16 HG23 THR 2 HG23 THR 2 -6.125 32.203 31.404 17 H ASN 3 H ASN 3 -6.417 31.526 29.154 18 HA ASN 3 HA ASN 3 -6.721 29.994 26.763 19 HB2 ASN 3 HB3 ASN 3 -7.371 32.426 27.108 20 HB3 ASN 3 HB2 ASN 3 -5.660 32.816 27.005 21 HD21 ASN 3 HD21 ASN 3 -6.026 34.034 25.016 22 HD22 ASN 3 HD22 ASN 3 -6.334 33.240 23.551 23 H PHE 4 H PHE 4 -5.205 28.783 25.820 24 HA PHE 4 HA PHE 4 -2.427 28.980 26.590 25 HB2 PHE 4 HB3 PHE 4 -3.873 27.218 24.605 26 HB3 PHE 4 HB2 PHE 4 -2.156 27.079 24.982 27 HD1 PHE 4 HD1 PHE 4 -5.584 26.714 26.307 28 HD2 PHE 4 HD2 PHE 4 -1.398 26.198 27.116 29 HE1 PHE 4 HE1 PHE 4 -6.138 25.348 28.302 30 HE2 PHE 4 HE2 PHE 4 -1.951 24.835 29.112 31 HZ PHE 4 HZ PHE 4 -4.321 24.409 29.705 32 H LYS 5 H LYS 5 -4.337 30.423 24.170 33 HA LYS 5 HA LYS 5 -2.537 30.574 21.999 34 HB2 LYS 5 HB3 LYS 5 -4.680 32.567 22.801 35 HB3 LYS 5 HB2 LYS 5 -3.949 32.407 21.206 36 HG2 LYS 5 HG3 LYS 5 -5.470 30.172 22.578 37 HG3 LYS 5 HG2 LYS 5 -6.203 31.284 21.426 38 HD2 LYS 5 HD3 LYS 5 -4.788 30.502 19.643 39 HD3 LYS 5 HD2 LYS 5 -3.786 29.576 20.761 40 HE2 LYS 5 HE3 LYS 5 -5.698 28.167 21.340 41 HE3 LYS 5 HE2 LYS 5 -6.720 29.077 20.224 42 HZ1 LYS 5 HZ1 LYS 5 -4.220 27.874 19.248 43 HZ2 LYS 5 HZ2 LYS 5 -5.647 28.228 18.396 44 HZ3 LYS 5 HZ3 LYS 5 -5.589 26.892 19.445 45 H LEU 6 H LEU 6 -2.972 32.525 24.882 46 HA LEU 6 HA LEU 6 -1.284 34.686 24.057 47 HB2 LEU 6 HB3 LEU 6 -2.252 33.924 26.825 48 HB3 LEU 6 HB2 LEU 6 -1.544 35.469 26.370 49 HG LEU 6 HG LEU 6 -4.113 34.321 25.221 50 HD11 LEU 6 HD11 LEU 6 -5.284 35.898 26.585 51 HD12 LEU 6 HD12 LEU 6 -3.786 36.690 27.073 52 HD13 LEU 6 HD13 LEU 6 -4.153 35.064 27.651 53 HD21 LEU 6 HD21 LEU 6 -4.347 36.775 24.432 54 HD22 LEU 6 HD22 LEU 6 -3.203 35.755 23.559 55 HD23 LEU 6 HD23 LEU 6 -2.616 36.912 24.757 56 H ILE 7 H ILE 7 -0.569 31.550 25.175 57 HA ILE 7 HA ILE 7 1.681 31.995 26.805 58 HB ILE 7 HB ILE 7 1.068 29.669 24.957 59 HG12 ILE 7 HG13 ILE 7 0.673 29.945 27.953 60 HG13 ILE 7 HG12 ILE 7 -0.606 30.225 26.775 61 HG21 ILE 7 HG21 ILE 7 2.630 28.413 26.469 62 HG22 ILE 7 HG22 ILE 7 3.053 29.937 27.249 63 HG23 ILE 7 HG23 ILE 7 3.449 29.675 25.552 64 HD11 ILE 7 HD11 ILE 7 -0.482 27.946 25.991 65 HD12 ILE 7 HD12 ILE 7 -0.584 27.894 27.752 66 HD13 ILE 7 HD13 ILE 7 0.968 27.645 26.950 67 H THR 8 H THR 8 3.817 32.215 26.390 68 HA THR 8 HA THR 8 4.560 33.358 23.842 69 HB THR 8 HB THR 8 6.717 33.786 24.952 70 HG1 THR 8 HG1 THR 8 7.223 32.823 26.745 71 HG21 THR 8 HG21 THR 8 5.935 35.420 26.496 72 HG22 THR 8 HG22 THR 8 4.486 34.481 26.862 73 HG23 THR 8 HG23 THR 8 4.657 35.262 25.290 74 H ASP 9 H ASP 9 6.632 32.671 22.809 75 HA ASP 9 HA ASP 9 6.490 29.956 22.066 76 HB2 ASP 9 HB3 ASP 9 8.612 30.384 20.860 77 HB3 ASP 9 HB2 ASP 9 7.403 31.626 20.548 78 H THR 10 H THR 10 8.616 31.688 24.301 79 HA THR 10 HA THR 10 10.410 29.578 24.842 80 HB THR 10 HB THR 10 9.545 31.853 26.657 81 HG1 THR 10 HG1 THR 10 10.476 32.335 24.536 82 HG21 THR 10 HG21 THR 10 12.117 30.244 26.704 83 HG22 THR 10 HG22 THR 10 10.753 29.918 27.775 84 HG23 THR 10 HG23 THR 10 11.599 31.464 27.869 85 H GLU 11 H GLU 11 7.386 30.570 26.440 86 HA GLU 11 HA GLU 11 7.427 28.686 28.514 87 HB2 GLU 11 HB3 GLU 11 5.142 30.066 27.120 88 HB3 GLU 11 HB2 GLU 11 4.924 29.037 28.530 89 HG2 GLU 11 HG3 GLU 11 6.361 30.453 29.863 90 HG3 GLU 11 HG2 GLU 11 6.807 31.407 28.458 91 H TRP 12 H TRP 12 6.210 28.442 25.192 92 HA TRP 12 HA TRP 12 4.985 25.899 25.490 93 HB2 TRP 12 HB3 TRP 12 5.973 27.517 23.168 94 HB3 TRP 12 HB2 TRP 12 5.577 25.821 22.907 95 HD1 TRP 12 HD1 TRP 12 4.012 29.128 22.906 96 HE1 TRP 12 HE1 TRP 12 1.441 28.917 22.980 97 HE3 TRP 12 HE3 TRP 12 3.575 24.229 24.260 98 HZ2 TRP 12 HZ2 TRP 12 -0.542 26.920 23.540 99 HZ3 TRP 12 HZ3 TRP 12 1.346 23.196 24.551 100 HH2 TRP 12 HH2 TRP 12 -0.711 24.525 24.188 101 H ARG 13 H ARG 13 8.286 26.881 24.675 102 HA ARG 13 HA ARG 13 9.274 24.325 23.969 103 HB2 ARG 13 HB3 ARG 13 10.649 26.803 25.016 104 HB3 ARG 13 HB2 ARG 13 11.517 25.360 24.485 105 HG2 ARG 13 HG3 ARG 13 10.467 25.530 22.264 106 HG3 ARG 13 HG2 ARG 13 9.585 26.965 22.785 107 HD2 ARG 13 HD3 ARG 13 11.715 28.135 23.188 108 HD3 ARG 13 HD2 ARG 13 12.602 26.701 22.678 109 HE ARG 13 HE ARG 13 10.811 27.429 20.622 110 HH11 ARG 13 HH11 ARG 13 13.731 28.622 22.154 111 HH12 ARG 13 HH12 ARG 13 14.274 29.451 20.733 112 HH21 ARG 13 HH21 ARG 13 11.556 28.521 18.800 113 HH22 ARG 13 HH22 ARG 13 13.052 29.393 18.851 114 H GLN 14 H GLN 14 9.200 26.076 27.046 115 HA GLN 14 HA GLN 14 10.510 23.899 28.448 116 HB2 GLN 14 HB3 GLN 14 10.009 25.344 30.506 117 HB3 GLN 14 HB2 GLN 14 11.122 25.993 29.309 118 HG2 GLN 14 HG3 GLN 14 9.762 27.720 28.785 119 HG3 GLN 14 HG2 GLN 14 8.315 26.739 28.819 120 HE21 GLN 14 HE21 GLN 14 8.499 29.388 29.957 121 HE22 GLN 14 HE22 GLN 14 8.258 29.241 31.628 122 H ARG 15 H ARG 15 7.265 24.855 27.748 123 HA ARG 15 HA ARG 15 5.893 23.548 29.865 124 HB2 ARG 15 HB3 ARG 15 5.197 24.577 27.147 125 HB3 ARG 15 HB2 ARG 15 4.066 23.464 27.918 126 HG2 ARG 15 HG3 ARG 15 3.714 24.923 29.754 127 HG3 ARG 15 HG2 ARG 15 5.123 25.904 29.364 128 HD2 ARG 15 HD3 ARG 15 4.044 26.689 27.327 129 HD3 ARG 15 HD2 ARG 15 2.661 25.640 27.615 130 HE ARG 15 HE ARG 15 3.269 28.150 28.980 131 HH11 ARG 15 HH11 ARG 15 1.342 25.220 28.968 132 HH12 ARG 15 HH12 ARG 15 0.123 25.885 30.001 133 HH21 ARG 15 HH21 ARG 15 1.668 28.964 30.332 134 HH22 ARG 15 HH22 ARG 15 0.308 27.986 30.769 135 H LEU 16 H LEU 16 6.901 22.525 26.647 136 HA LEU 16 HA LEU 16 6.521 19.721 27.437 137 HB2 LEU 16 HB3 LEU 16 5.672 19.397 24.968 138 HB3 LEU 16 HB2 LEU 16 4.557 19.874 26.238 139 HG LEU 16 HG LEU 16 4.965 22.297 25.520 140 HD11 LEU 16 HD11 LEU 16 5.784 22.544 23.168 141 HD12 LEU 16 HD12 LEU 16 6.279 20.852 23.207 142 HD13 LEU 16 HD13 LEU 16 7.035 22.018 24.296 143 HD21 LEU 16 HD21 LEU 16 3.333 22.182 23.796 144 HD22 LEU 16 HD22 LEU 16 2.998 20.820 24.863 145 HD23 LEU 16 HD23 LEU 16 3.832 20.557 23.336 146 H SER 17 H SER 17 7.322 18.272 25.515 147 HA SER 17 HA SER 17 10.118 18.620 25.344 148 HB2 SER 17 HB3 SER 17 8.229 16.835 23.815 149 HB3 SER 17 HB2 SER 17 9.978 16.713 23.709 150 HG SER 17 HG SER 17 9.780 15.510 25.425 151 H SER 18 H SER 18 11.413 18.773 23.414 152 HA SER 18 HA SER 18 10.797 20.996 21.800 153 HB2 SER 18 HB3 SER 18 12.805 18.769 21.391 154 HB3 SER 18 HB2 SER 18 12.738 20.233 20.412 155 HG SER 18 HG SER 18 13.839 19.852 22.828 156 H GLU 19 H GLU 19 10.447 17.522 21.319 157 HA GLU 19 HA GLU 19 9.630 17.631 18.617 158 HB2 GLU 19 HB3 GLU 19 8.586 15.346 19.185 159 HB3 GLU 19 HB2 GLU 19 10.329 15.500 19.324 160 HG2 GLU 19 HG3 GLU 19 8.742 16.082 21.781 161 HG3 GLU 19 HG2 GLU 19 8.780 14.409 21.253 162 H GLU 20 H GLU 20 7.684 17.452 21.648 163 HA GLU 20 HA GLU 20 5.185 17.576 20.428 164 HB2 GLU 20 HB3 GLU 20 6.189 18.275 23.163 165 HB3 GLU 20 HB2 GLU 20 4.548 18.720 22.707 166 HG2 GLU 20 HG3 GLU 20 4.205 16.602 23.609 167 HG3 GLU 20 HG2 GLU 20 4.388 16.223 21.907 168 H TYR 21 H TYR 21 7.474 20.129 21.222 169 HA TYR 21 HA TYR 21 5.782 22.360 21.000 170 HB2 TYR 21 HB3 TYR 21 8.089 22.455 21.867 171 HB3 TYR 21 HB2 TYR 21 8.719 22.075 20.271 172 HD1 TYR 21 HD1 TYR 21 7.285 24.682 22.413 173 HD2 TYR 21 HD2 TYR 21 8.542 23.706 18.422 174 HE1 TYR 21 HE1 TYR 21 7.281 27.090 21.817 175 HE2 TYR 21 HE2 TYR 21 8.539 26.112 17.830 176 HH TYR 21 HH TYR 21 7.027 28.327 19.153 177 H ARG 22 H ARG 22 7.841 20.841 18.456 178 HA ARG 22 HA ARG 22 6.744 22.509 16.383 179 HB2 ARG 22 HB3 ARG 22 8.128 21.258 14.853 180 HB3 ARG 22 HB2 ARG 22 9.064 21.592 16.305 181 HG2 ARG 22 HG3 ARG 22 8.543 19.301 17.138 182 HG3 ARG 22 HG2 ARG 22 7.676 18.971 15.633 183 HD2 ARG 22 HD3 ARG 22 9.940 18.090 15.458 184 HD3 ARG 22 HD2 ARG 22 9.766 19.463 14.369 185 HE ARG 22 HE ARG 22 10.763 20.290 16.919 186 HH11 ARG 22 HH11 ARG 22 11.746 18.751 13.926 187 HH12 ARG 22 HH12 ARG 22 13.399 19.244 14.081 188 HH21 ARG 22 HH21 ARG 22 12.922 20.908 17.079 189 HH22 ARG 22 HH22 ARG 22 14.057 20.454 15.852 190 H VAL 23 H VAL 23 6.184 19.253 17.525 191 HA VAL 23 HA VAL 23 4.587 18.297 15.428 192 HB VAL 23 HB VAL 23 4.774 17.562 18.359 193 HG11 VAL 23 HG11 VAL 23 3.179 16.283 16.132 194 HG12 VAL 23 HG12 VAL 23 2.622 16.758 17.736 195 HG13 VAL 23 HG13 VAL 23 3.700 15.373 17.553 196 HG21 VAL 23 HG21 VAL 23 5.724 16.029 15.930 197 HG22 VAL 23 HG22 VAL 23 6.209 15.813 17.609 198 HG23 VAL 23 HG23 VAL 23 6.729 17.239 16.711 199 H LEU 24 H LEU 24 3.688 19.973 18.441 200 HA LEU 24 HA LEU 24 0.865 19.940 17.806 201 HB2 LEU 24 HB3 LEU 24 2.388 21.451 19.943 202 HB3 LEU 24 HB2 LEU 24 0.633 21.364 19.832 203 HG LEU 24 HG LEU 24 2.477 18.969 20.185 204 HD11 LEU 24 HD11 LEU 24 1.954 18.995 22.480 205 HD12 LEU 24 HD12 LEU 24 0.557 20.049 22.254 206 HD13 LEU 24 HD13 LEU 24 2.186 20.703 22.117 207 HD21 LEU 24 HD21 LEU 24 0.244 17.869 20.835 208 HD22 LEU 24 HD22 LEU 24 0.465 18.213 19.118 209 HD23 LEU 24 HD23 LEU 24 -0.540 19.272 20.106 210 H ARG 25 H ARG 25 3.504 21.951 16.922 211 HA ARG 25 HA ARG 25 1.940 24.376 16.634 212 HB2 ARG 25 HB3 ARG 25 4.380 24.359 17.218 213 HB3 ARG 25 HB2 ARG 25 4.712 23.800 15.580 214 HG2 ARG 25 HG3 ARG 25 3.626 25.813 14.662 215 HG3 ARG 25 HG2 ARG 25 3.271 26.371 16.297 216 HD2 ARG 25 HD3 ARG 25 5.703 26.396 16.792 217 HD3 ARG 25 HD2 ARG 25 6.031 25.906 15.133 218 HE ARG 25 HE ARG 25 5.217 28.546 16.039 219 HH11 ARG 25 HH11 ARG 25 5.465 26.369 13.301 220 HH12 ARG 25 HH12 ARG 25 5.446 27.651 12.135 221 HH21 ARG 25 HH21 ARG 25 5.197 30.177 14.491 222 HH22 ARG 25 HH22 ARG 25 5.295 29.787 12.805 223 H GLU 26 H GLU 26 3.602 22.162 14.337 224 HA GLU 26 HA GLU 26 1.612 22.960 12.299 225 HB2 GLU 26 HB3 GLU 26 3.402 23.017 10.598 226 HB3 GLU 26 HB2 GLU 26 3.631 24.235 11.849 227 HG2 GLU 26 HG3 GLU 26 5.252 22.755 12.990 228 HG3 GLU 26 HG2 GLU 26 5.025 21.540 11.735 229 H ALA 27 H ALA 27 2.044 20.455 14.000 230 HA ALA 27 HA ALA 27 1.893 18.174 13.736 231 HB1 ALA 27 HB1 ALA 27 1.143 18.116 10.918 232 HB2 ALA 27 HB2 ALA 27 0.253 19.358 11.789 233 HB3 ALA 27 HB3 ALA 27 0.194 17.685 12.339 234 H GLY 28 H GLY 28 4.414 18.955 13.645 235 HA2 GLY 28 HA3 GLY 28 5.931 18.507 11.342 236 HA3 GLY 28 HA2 GLY 28 6.529 18.350 12.985 237 H THR 29 H THR 29 4.978 16.237 13.922 238 HA THR 29 HA THR 29 4.812 13.987 12.229 239 HB THR 29 HB THR 29 7.259 14.176 12.064 240 HG1 THR 29 HG1 THR 29 7.047 12.110 12.026 241 HG21 THR 29 HG21 THR 29 7.736 15.339 14.158 242 HG22 THR 29 HG22 THR 29 8.654 13.834 14.099 243 HG23 THR 29 HG23 THR 29 7.196 13.940 15.087 244 H GLU 30 H GLU 30 5.025 11.859 13.703 245 HA GLU 30 HA GLU 30 4.180 12.395 16.447 246 HB2 GLU 30 HB3 GLU 30 2.184 10.914 16.212 247 HB3 GLU 30 HB2 GLU 30 2.051 12.401 15.283 248 HG2 GLU 30 HG3 GLU 30 2.866 11.127 13.264 249 HG3 GLU 30 HG2 GLU 30 2.755 9.650 14.217 250 H ALA 31 H ALA 31 6.512 11.524 16.194 251 HA ALA 31 HA ALA 31 6.587 8.587 16.077 252 HB1 ALA 31 HB1 ALA 31 8.257 9.982 14.798 253 HB2 ALA 31 HB2 ALA 31 8.959 8.790 15.892 254 HB3 ALA 31 HB3 ALA 31 8.913 10.490 16.354 255 HA PRO 32 HA PRO 32 6.590 8.775 20.621 256 HB2 PRO 32 HB3 PRO 32 6.477 6.097 21.061 257 HB3 PRO 32 HB2 PRO 32 5.063 7.042 20.553 258 HG2 PRO 32 HG3 PRO 32 6.901 5.378 18.882 259 HG3 PRO 32 HG2 PRO 32 5.133 5.433 18.880 260 HD2 PRO 32 HD3 PRO 32 6.598 6.738 17.052 261 HD3 PRO 32 HD2 PRO 32 5.056 7.379 17.661 262 H HIS 33 H HIS 33 7.888 7.136 22.261 263 HA HIS 33 HA HIS 33 9.928 6.593 23.140 264 HB2 HIS 33 HB3 HIS 33 10.504 5.936 20.246 265 HB3 HIS 33 HB2 HIS 33 11.584 5.542 21.582 266 HD1 HIS 33 HD1 HIS 33 10.797 3.715 23.266 267 HD2 HIS 33 HD2 HIS 33 8.128 4.384 20.139 268 HE1 HIS 33 HE1 HIS 33 9.124 1.814 23.336 269 HE2 HIS 33 HE2 HIS 33 7.492 2.204 21.430 270 H THR 34 H THR 34 9.434 9.313 22.566 271 HA THR 34 HA THR 34 12.119 10.322 21.827 272 HB THR 34 HB THR 34 10.999 12.493 21.436 273 HG1 THR 34 HG1 THR 34 8.647 12.325 21.302 274 HG21 THR 34 HG21 THR 34 9.697 10.216 19.930 275 HG22 THR 34 HG22 THR 34 11.314 10.840 19.602 276 HG23 THR 34 HG23 THR 34 9.905 11.875 19.361 277 H GLY 35 H GLY 35 10.881 9.323 24.517 278 HA2 GLY 35 HA3 GLY 35 12.215 11.246 26.184 279 HA3 GLY 35 HA2 GLY 35 10.464 11.228 26.403 280 H GLU 36 H GLU 36 13.109 10.139 27.775 281 HA GLU 36 HA GLU 36 12.710 7.350 28.095 282 HB2 GLU 36 HB3 GLU 36 14.414 7.530 29.796 283 HB3 GLU 36 HB2 GLU 36 14.812 8.570 28.431 284 HG2 GLU 36 HG3 GLU 36 13.938 10.529 29.637 285 HG3 GLU 36 HG2 GLU 36 13.531 9.504 31.011 286 H TYR 37 H TYR 37 11.272 10.097 29.587 287 HA TYR 37 HA TYR 37 10.356 8.802 31.983 288 HB2 TYR 37 HB3 TYR 37 9.572 11.381 30.618 289 HB3 TYR 37 HB2 TYR 37 8.863 10.839 32.139 290 HD1 TYR 37 HD1 TYR 37 11.908 12.080 30.489 291 HD2 TYR 37 HD2 TYR 37 10.198 10.721 34.188 292 HE1 TYR 37 HE1 TYR 37 13.859 12.983 31.723 293 HE2 TYR 37 HE2 TYR 37 12.151 11.625 35.422 294 HH TYR 37 HH TYR 37 13.902 13.224 35.171 295 H THR 38 H THR 38 9.230 8.879 28.706 296 HA THR 38 HA THR 38 6.470 8.553 29.055 297 HB THR 38 HB THR 38 8.243 7.387 26.889 298 HG1 THR 38 HG1 THR 38 6.893 9.872 26.980 299 HG21 THR 38 HG21 THR 38 6.012 6.494 26.765 300 HG22 THR 38 HG22 THR 38 6.155 7.741 25.526 301 HG23 THR 38 HG23 THR 38 5.308 8.086 27.034 302 H ASN 39 H ASN 39 5.328 6.947 29.888 303 HA ASN 39 HA ASN 39 5.887 4.186 29.512 304 HB2 ASN 39 HB3 ASN 39 7.609 4.874 31.277 305 HB3 ASN 39 HB2 ASN 39 6.243 5.111 32.362 306 HD21 ASN 39 HD21 ASN 39 6.673 3.304 33.752 307 HD22 ASN 39 HD22 ASN 39 6.596 1.696 33.213 308 H THR 40 H THR 40 3.776 3.824 29.025 309 HA THR 40 HA THR 40 1.571 5.048 30.290 310 HB THR 40 HB THR 40 0.234 3.236 29.207 311 HG1 THR 40 HG1 THR 40 2.740 2.343 28.249 312 HG21 THR 40 HG21 THR 40 1.091 5.329 28.022 313 HG22 THR 40 HG22 THR 40 0.658 3.976 26.978 314 HG23 THR 40 HG23 THR 40 2.353 4.306 27.336 315 H THR 41 H THR 41 2.425 1.580 30.510 316 HA THR 41 HA THR 41 2.262 0.053 32.198 317 HB THR 41 HB THR 41 2.382 2.394 34.107 318 HG1 THR 41 HG1 THR 41 4.169 2.728 33.020 319 HG21 THR 41 HG21 THR 41 3.291 0.811 35.646 320 HG22 THR 41 HG22 THR 41 3.502 -0.401 34.381 321 HG23 THR 41 HG23 THR 41 1.882 0.029 34.929 322 H THR 42 H THR 42 0.504 2.746 33.764 323 HA THR 42 HA THR 42 -1.712 0.997 34.409 324 HB THR 42 HB THR 42 -1.359 3.970 34.889 325 HG1 THR 42 HG1 THR 42 0.079 3.258 36.230 326 HG21 THR 42 HG21 THR 42 -3.133 1.984 36.326 327 HG22 THR 42 HG22 THR 42 -3.708 3.046 35.040 328 HG23 THR 42 HG23 THR 42 -3.095 3.733 36.543 329 H GLU 43 H GLU 43 -3.835 1.240 33.661 330 HA GLU 43 HA GLU 43 -4.086 2.636 31.071 331 HB2 GLU 43 HB3 GLU 43 -5.574 0.274 32.245 332 HB3 GLU 43 HB2 GLU 43 -6.082 1.105 30.774 333 HG2 GLU 43 HG3 GLU 43 -3.994 0.572 29.673 334 HG3 GLU 43 HG2 GLU 43 -3.319 -0.075 31.163 335 H GLY 44 H GLY 44 -4.760 4.645 31.590 336 HA2 GLY 44 HA3 GLY 44 -7.263 4.854 33.149 337 HA3 GLY 44 HA2 GLY 44 -5.911 5.934 33.439 338 H ILE 45 H ILE 45 -6.078 7.838 32.570 339 HA ILE 45 HA ILE 45 -7.680 8.161 30.100 340 HB ILE 45 HB ILE 45 -7.367 10.066 32.438 341 HG12 ILE 45 HG13 ILE 45 -9.954 8.771 31.550 342 HG13 ILE 45 HG12 ILE 45 -8.860 7.883 32.606 343 HG21 ILE 45 HG21 ILE 45 -9.269 10.326 30.098 344 HG22 ILE 45 HG22 ILE 45 -7.664 11.062 30.076 345 HG23 ILE 45 HG23 ILE 45 -8.845 11.548 31.297 346 HD11 ILE 45 HD11 ILE 45 -9.683 10.703 33.273 347 HD12 ILE 45 HD12 ILE 45 -9.046 9.444 34.339 348 HD13 ILE 45 HD13 ILE 45 -10.693 9.326 33.714 349 H TYR 46 H TYR 46 -6.790 9.157 28.455 350 HA TYR 46 HA TYR 46 -4.011 9.824 28.439 351 HB2 TYR 46 HB3 TYR 46 -6.263 9.930 26.464 352 HB3 TYR 46 HB2 TYR 46 -4.758 10.759 26.089 353 HD1 TYR 46 HD1 TYR 46 -6.013 7.429 27.300 354 HD2 TYR 46 HD2 TYR 46 -3.052 9.567 25.041 355 HE1 TYR 46 HE1 TYR 46 -5.015 5.279 26.568 356 HE2 TYR 46 HE2 TYR 46 -2.051 7.418 24.315 357 HH TYR 46 HH TYR 46 -2.313 4.718 25.672 358 H SER 47 H SER 47 -3.023 11.810 28.447 359 HA SER 47 HA SER 47 -4.739 14.164 28.444 360 HB2 SER 47 HB3 SER 47 -3.174 15.065 30.339 361 HB3 SER 47 HB2 SER 47 -4.585 14.097 30.733 362 HG SER 47 HG SER 47 -2.105 13.603 31.361 363 H CYS 48 H CYS 48 -4.043 15.669 27.200 364 HA CYS 48 HA CYS 48 -1.630 15.556 25.701 365 HB2 CYS 48 HB3 CYS 48 -3.785 16.652 25.026 366 HB3 CYS 48 HB2 CYS 48 -3.508 17.882 26.238 367 H ARG 49 H ARG 49 0.386 16.096 26.486 368 HA ARG 49 HA ARG 49 0.686 17.200 29.089 369 HB2 ARG 49 HB3 ARG 49 3.062 17.149 28.725 370 HB3 ARG 49 HB2 ARG 49 2.362 15.692 28.034 371 HG2 ARG 49 HG3 ARG 49 2.443 16.713 25.788 372 HG3 ARG 49 HG2 ARG 49 3.135 18.181 26.479 373 HD2 ARG 49 HD3 ARG 49 4.390 15.423 26.599 374 HD3 ARG 49 HD2 ARG 49 4.886 16.725 25.538 375 HE ARG 49 HE ARG 49 5.698 17.941 27.434 376 HH11 ARG 49 HH11 ARG 49 4.584 14.710 28.286 377 HH12 ARG 49 HH12 ARG 49 5.470 14.689 29.769 378 HH21 ARG 49 HH21 ARG 49 6.832 17.836 29.362 379 HH22 ARG 49 HH22 ARG 49 6.723 16.434 30.374 380 H ALA 50 H ALA 50 0.319 18.677 26.009 381 HA ALA 50 HA ALA 50 1.618 21.140 26.393 382 HB1 ALA 50 HB1 ALA 50 0.905 21.348 24.272 383 HB2 ALA 50 HB2 ALA 50 -0.760 21.529 24.848 384 HB3 ALA 50 HB3 ALA 50 -0.125 19.933 24.477 385 H CYS 51 H CYS 51 -1.770 20.226 26.997 386 HA CYS 51 HA CYS 51 -2.042 22.617 28.721 387 HB2 CYS 51 HB3 CYS 51 -4.589 22.246 28.128 388 HB3 CYS 51 HB2 CYS 51 -3.536 23.154 27.053 389 H GLY 52 H GLY 52 -2.870 19.232 28.270 390 HA2 GLY 52 HA3 GLY 52 -2.901 17.659 30.069 391 HA3 GLY 52 HA2 GLY 52 -3.309 18.961 31.172 392 H THR 53 H THR 53 -4.802 18.290 28.014 393 HA THR 53 HA THR 53 -7.403 18.182 29.394 394 HB THR 53 HB THR 53 -7.797 17.869 26.612 395 HG1 THR 53 HG1 THR 53 -6.526 19.384 25.692 396 HG21 THR 53 HG21 THR 53 -7.840 20.605 27.738 397 HG22 THR 53 HG22 THR 53 -8.874 19.404 28.519 398 HG23 THR 53 HG23 THR 53 -9.060 19.746 26.801 399 H GLU 54 H GLU 54 -8.924 16.502 29.137 400 HA GLU 54 HA GLU 54 -7.729 13.870 28.935 401 HB2 GLU 54 HB3 GLU 54 -10.598 14.709 29.415 402 HB3 GLU 54 HB2 GLU 54 -9.992 13.059 29.535 403 HG2 GLU 54 HG3 GLU 54 -8.401 13.820 31.299 404 HG3 GLU 54 HG2 GLU 54 -9.122 15.424 31.208 405 H LEU 55 H LEU 55 -7.107 14.358 26.677 406 HA LEU 55 HA LEU 55 -8.877 14.622 24.535 407 HB2 LEU 55 HB3 LEU 55 -6.073 13.576 24.835 408 HB3 LEU 55 HB2 LEU 55 -6.886 13.446 23.278 409 HG LEU 55 HG LEU 55 -7.292 15.924 23.334 410 HD11 LEU 55 HD11 LEU 55 -6.083 17.289 24.965 411 HD12 LEU 55 HD12 LEU 55 -5.569 15.826 25.794 412 HD13 LEU 55 HD13 LEU 55 -7.280 16.256 25.729 413 HD21 LEU 55 HD21 LEU 55 -4.916 16.603 23.036 414 HD22 LEU 55 HD22 LEU 55 -5.333 15.130 22.154 415 HD23 LEU 55 HD23 LEU 55 -4.432 15.032 23.671 416 H PHE 56 H PHE 56 -7.644 11.661 26.062 417 HA PHE 56 HA PHE 56 -9.855 10.177 24.824 418 HB2 PHE 56 HB3 PHE 56 -6.949 9.340 24.614 419 HB3 PHE 56 HB2 PHE 56 -8.320 8.320 24.189 420 HD1 PHE 56 HD1 PHE 56 -6.272 11.196 23.218 421 HD2 PHE 56 HD2 PHE 56 -9.778 8.902 22.271 422 HE1 PHE 56 HE1 PHE 56 -6.353 12.247 20.974 423 HE2 PHE 56 HE2 PHE 56 -9.859 9.953 20.027 424 HZ PHE 56 HZ PHE 56 -8.146 11.626 19.378 425 H ARG 57 H ARG 57 -10.109 7.957 25.811 426 HA ARG 57 HA ARG 57 -8.881 7.650 28.444 427 HB2 ARG 57 HB3 ARG 57 -11.026 7.353 29.578 428 HB3 ARG 57 HB2 ARG 57 -10.908 8.965 28.885 429 HG2 ARG 57 HG3 ARG 57 -12.250 8.227 26.943 430 HG3 ARG 57 HG2 ARG 57 -12.361 6.617 27.647 431 HD2 ARG 57 HD3 ARG 57 -13.326 9.131 29.029 432 HD3 ARG 57 HD2 ARG 57 -14.373 8.053 28.108 433 HE ARG 57 HE ARG 57 -13.022 6.471 29.971 434 HH11 ARG 57 HH11 ARG 57 -15.307 9.129 30.028 435 HH12 ARG 57 HH12 ARG 57 -16.009 8.643 31.536 436 HH21 ARG 57 HH21 ARG 57 -13.962 5.879 31.928 437 HH22 ARG 57 HH22 ARG 57 -15.252 6.820 32.601 438 H SER 58 H SER 58 -9.346 5.545 29.413 439 HA SER 58 HA SER 58 -8.838 3.453 27.606 440 HB2 SER 58 HB3 SER 58 -8.988 1.995 29.550 441 HB3 SER 58 HB2 SER 58 -8.106 3.465 29.954 442 HG SER 58 HG SER 58 -9.603 3.134 31.554 443 H THR 59 H THR 59 -11.907 4.737 28.685 444 HA THR 59 HA THR 59 -13.397 2.333 28.357 445 HB THR 59 HB THR 59 -14.066 4.557 29.576 446 HG1 THR 59 HG1 THR 59 -15.765 2.860 28.094 447 HG21 THR 59 HG21 THR 59 -14.117 5.704 27.142 448 HG22 THR 59 HG22 THR 59 -15.227 6.180 28.422 449 HG23 THR 59 HG23 THR 59 -15.756 5.062 27.171 450 H GLU 60 H GLU 60 -12.445 4.860 26.111 451 HA GLU 60 HA GLU 60 -13.770 3.366 23.925 452 HB2 GLU 60 HB3 GLU 60 -13.457 6.250 24.493 453 HB3 GLU 60 HB2 GLU 60 -13.061 5.815 22.835 454 HG2 GLU 60 HG3 GLU 60 -15.405 6.315 22.849 455 HG3 GLU 60 HG2 GLU 60 -15.279 4.560 22.762 456 H LYS 61 H LYS 61 -11.205 2.704 25.149 457 HA LYS 61 HA LYS 61 -9.351 3.198 22.898 458 HB2 LYS 61 HB3 LYS 61 -8.549 4.018 25.063 459 HB3 LYS 61 HB2 LYS 61 -8.768 2.420 25.769 460 HG2 LYS 61 HG3 LYS 61 -7.100 1.501 24.183 461 HG3 LYS 61 HG2 LYS 61 -6.874 3.111 23.501 462 HD2 LYS 61 HD3 LYS 61 -6.122 3.947 25.689 463 HD3 LYS 61 HD2 LYS 61 -6.367 2.349 26.392 464 HE2 LYS 61 HE3 LYS 61 -4.698 1.408 24.833 465 HE3 LYS 61 HE2 LYS 61 -4.446 3.009 24.139 466 HZ1 LYS 61 HZ1 LYS 61 -2.789 2.941 25.688 467 HZ2 LYS 61 HZ2 LYS 61 -3.673 1.980 26.775 468 HZ3 LYS 61 HZ3 LYS 61 -4.025 3.635 26.619 469 H PHE 62 H PHE 62 -8.722 1.534 21.683 470 HA PHE 62 HA PHE 62 -9.543 -1.195 22.470 471 HB2 PHE 62 HB3 PHE 62 -10.449 -0.281 20.319 472 HB3 PHE 62 HB2 PHE 62 -8.799 -0.146 19.722 473 HD1 PHE 62 HD1 PHE 62 -11.369 -2.551 20.934 474 HD2 PHE 62 HD2 PHE 62 -7.618 -2.058 18.901 475 HE1 PHE 62 HE1 PHE 62 -11.428 -4.933 20.246 476 HE2 PHE 62 HE2 PHE 62 -7.676 -4.440 18.215 477 HZ PHE 62 HZ PHE 62 -9.581 -5.878 18.886 478 H ASN 63 H ASN 63 -7.986 -2.633 22.983 479 HA ASN 63 HA ASN 63 -5.260 -1.895 23.166 480 HB2 ASN 63 HB3 ASN 63 -6.632 -4.587 23.292 481 HB3 ASN 63 HB2 ASN 63 -4.911 -4.366 23.589 482 HD21 ASN 63 HD21 ASN 63 -6.811 -5.311 25.591 483 HD22 ASN 63 HD22 ASN 63 -6.847 -4.155 26.834 484 H SER 64 H SER 64 -3.881 -1.640 21.557 485 HA SER 64 HA SER 64 -3.791 -3.601 19.379 486 HB2 SER 64 HB3 SER 64 -3.975 -0.614 18.939 487 HB3 SER 64 HB2 SER 64 -3.617 -1.802 17.689 488 HG SER 64 HG SER 64 -5.637 -2.579 17.837 489 H HIS 65 H HIS 65 -1.798 -3.514 18.156 490 HA HIS 65 HA HIS 65 0.487 -3.000 19.847 491 HB2 HIS 65 HB3 HIS 65 0.302 -3.980 16.986 492 HB3 HIS 65 HB2 HIS 65 1.789 -3.904 17.931 493 HD1 HIS 65 HD1 HIS 65 1.652 -5.305 20.302 494 HD2 HIS 65 HD2 HIS 65 -1.082 -6.352 17.334 495 HE1 HIS 65 HE1 HIS 65 0.770 -7.600 20.916 496 HE2 HIS 65 HE2 HIS 65 -0.898 -8.252 19.116 497 H CYS 66 H CYS 66 2.421 -1.840 18.922 498 HA CYS 66 HA CYS 66 1.858 0.860 18.512 499 HB2 CYS 66 HB3 CYS 66 4.222 1.117 17.983 500 HB3 CYS 66 HB2 CYS 66 4.033 -0.019 19.317 501 HG CYS 66 HG CYS 66 5.633 -1.176 17.635 502 H GLY 67 H GLY 67 2.394 2.208 16.639 503 HA2 GLY 67 HA3 GLY 67 2.699 2.475 14.262 504 HA3 GLY 67 HA2 GLY 67 1.976 0.884 14.030 505 H TRP 68 H TRP 68 1.207 4.089 15.369 506 HA TRP 68 HA TRP 68 -0.743 5.285 15.483 507 HB2 TRP 68 HB3 TRP 68 -1.157 3.989 12.772 508 HB3 TRP 68 HB2 TRP 68 -2.056 5.375 13.381 509 HD1 TRP 68 HD1 TRP 68 -0.659 7.664 13.776 510 HE1 TRP 68 HE1 TRP 68 1.471 8.550 12.615 511 HE3 TRP 68 HE3 TRP 68 1.042 3.344 11.644 512 HZ2 TRP 68 HZ2 TRP 68 3.598 7.555 10.979 513 HZ3 TRP 68 HZ3 TRP 68 3.112 3.344 10.282 514 HH2 TRP 68 HH2 TRP 68 4.392 5.442 9.948 515 HA PRO 69 HA PRO 69 -3.064 1.304 16.819 516 HB2 PRO 69 HB3 PRO 69 -3.186 2.930 19.327 517 HB3 PRO 69 HB2 PRO 69 -2.916 1.187 19.125 518 HG2 PRO 69 HG3 PRO 69 -0.909 2.766 19.749 519 HG3 PRO 69 HG2 PRO 69 -0.688 1.468 18.562 520 HD2 PRO 69 HD3 PRO 69 -1.021 4.418 18.083 521 HD3 PRO 69 HD2 PRO 69 0.059 3.259 17.276 522 H SER 70 H SER 70 -5.269 1.168 16.681 523 HA SER 70 HA SER 70 -6.767 3.533 16.036 524 HB2 SER 70 HB3 SER 70 -8.610 2.027 15.637 525 HB3 SER 70 HB2 SER 70 -7.147 1.306 14.973 526 HG SER 70 HG SER 70 -7.441 -0.291 16.294 527 H PHE 71 H PHE 71 -8.671 4.267 17.072 528 HA PHE 71 HA PHE 71 -9.128 3.470 19.865 529 HB2 PHE 71 HB3 PHE 71 -8.623 6.336 19.000 530 HB3 PHE 71 HB2 PHE 71 -9.151 5.826 20.600 531 HD1 PHE 71 HD1 PHE 71 -6.315 6.288 18.399 532 HD2 PHE 71 HD2 PHE 71 -7.644 4.298 21.967 533 HE1 PHE 71 HE1 PHE 71 -3.957 5.932 19.079 534 HE2 PHE 71 HE2 PHE 71 -5.286 3.942 22.644 535 HZ PHE 71 HZ PHE 71 -3.443 4.759 21.202 536 H PHE 72 H PHE 72 -11.218 4.312 20.644 537 HA PHE 72 HA PHE 72 -13.152 4.533 18.451 538 HB2 PHE 72 HB3 PHE 72 -13.697 4.244 21.422 539 HB3 PHE 72 HB2 PHE 72 -14.877 4.127 20.131 540 HD1 PHE 72 HD1 PHE 72 -12.893 2.221 22.297 541 HD2 PHE 72 HD2 PHE 72 -14.165 2.365 18.197 542 HE1 PHE 72 HE1 PHE 72 -12.441 -0.204 22.072 543 HE2 PHE 72 HE2 PHE 72 -13.712 -0.061 17.973 544 HZ PHE 72 HZ PHE 72 -12.851 -1.347 19.911 545 H SER 73 H SER 73 -15.159 6.042 19.558 546 HA SER 73 HA SER 73 -14.472 8.660 19.022 547 HB2 SER 73 HB3 SER 73 -16.788 7.742 19.261 548 HB3 SER 73 HB2 SER 73 -16.587 7.810 21.004 549 HG SER 73 HG SER 73 -17.104 9.831 20.851 550 HA PRO 74 HA PRO 74 -12.072 9.940 22.592 551 HB2 PRO 74 HB3 PRO 74 -12.513 12.651 22.551 552 HB3 PRO 74 HB2 PRO 74 -11.397 11.823 21.447 553 HG2 PRO 74 HG3 PRO 74 -14.202 12.719 20.976 554 HG3 PRO 74 HG2 PRO 74 -12.787 12.840 19.915 555 HD2 PRO 74 HD3 PRO 74 -14.662 10.925 19.566 556 HD3 PRO 74 HD2 PRO 74 -12.942 10.621 19.232 557 H LEU 75 H LEU 75 -12.464 11.673 24.535 558 HA LEU 75 HA LEU 75 -14.345 10.622 26.243 559 HB2 LEU 75 HB3 LEU 75 -12.722 13.082 26.148 560 HB3 LEU 75 HB2 LEU 75 -14.219 13.285 27.059 561 HG LEU 75 HG LEU 75 -13.554 11.054 28.227 562 HD11 LEU 75 HD11 LEU 75 -11.021 11.811 26.788 563 HD12 LEU 75 HD12 LEU 75 -11.758 10.228 26.974 564 HD13 LEU 75 HD13 LEU 75 -10.937 10.980 28.339 565 HD21 LEU 75 HD21 LEU 75 -12.193 13.721 28.633 566 HD22 LEU 75 HD22 LEU 75 -11.949 12.381 29.754 567 HD23 LEU 75 HD23 LEU 75 -13.564 13.050 29.514 568 H ALA 76 H ALA 76 -14.771 13.786 24.603 569 HA ALA 76 HA ALA 76 -17.566 13.148 24.070 570 HB1 ALA 76 HB1 ALA 76 -16.694 15.125 26.141 571 HB2 ALA 76 HB2 ALA 76 -18.014 13.955 26.193 572 HB3 ALA 76 HB3 ALA 76 -18.171 15.418 25.221 573 H GLY 77 H GLY 77 -14.805 14.359 22.911 574 HA2 GLY 77 HA3 GLY 77 -14.397 15.509 20.930 575 HA3 GLY 77 HA2 GLY 77 -16.115 15.872 20.819 576 H ASP 78 H ASP 78 -15.101 16.713 23.887 577 HA ASP 78 HA ASP 78 -15.102 19.550 23.238 578 HB2 ASP 78 HB3 ASP 78 -15.062 18.087 25.881 579 HB3 ASP 78 HB2 ASP 78 -15.215 19.828 25.671 580 H LYS 79 H LYS 79 -12.932 17.041 24.287 581 HA LYS 79 HA LYS 79 -10.836 18.964 24.954 582 HB2 LYS 79 HB3 LYS 79 -10.344 16.010 25.007 583 HB3 LYS 79 HB2 LYS 79 -9.697 17.269 26.040 584 HG2 LYS 79 HG3 LYS 79 -12.580 16.309 26.123 585 HG3 LYS 79 HG2 LYS 79 -11.324 15.786 27.232 586 HD2 LYS 79 HD3 LYS 79 -11.055 18.033 28.095 587 HD3 LYS 79 HD2 LYS 79 -12.174 18.669 26.885 588 HE2 LYS 79 HE3 LYS 79 -13.994 17.327 27.821 589 HE3 LYS 79 HE2 LYS 79 -12.893 16.614 28.997 590 HZ1 LYS 79 HZ1 LYS 79 -13.076 19.535 28.863 591 HZ2 LYS 79 HZ2 LYS 79 -12.798 18.529 30.203 592 HZ3 LYS 79 HZ3 LYS 79 -14.366 18.696 29.574 593 H VAL 80 H VAL 80 -11.928 17.150 22.295 594 HA VAL 80 HA VAL 80 -9.475 17.783 20.795 595 HB VAL 80 HB VAL 80 -9.616 15.619 19.585 596 HG11 VAL 80 HG11 VAL 80 -8.037 15.786 21.391 597 HG12 VAL 80 HG12 VAL 80 -8.804 14.200 21.486 598 HG13 VAL 80 HG13 VAL 80 -9.300 15.488 22.586 599 HG21 VAL 80 HG21 VAL 80 -10.932 13.779 20.689 600 HG22 VAL 80 HG22 VAL 80 -11.935 15.018 19.933 601 HG23 VAL 80 HG23 VAL 80 -11.716 15.007 21.684 602 H ILE 81 H ILE 81 -9.788 18.211 18.592 603 HA ILE 81 HA ILE 81 -12.610 18.423 17.726 604 HB ILE 81 HB ILE 81 -10.431 20.463 17.804 605 HG12 ILE 81 HG13 ILE 81 -12.353 21.999 18.051 606 HG13 ILE 81 HG12 ILE 81 -13.462 20.666 17.759 607 HG21 ILE 81 HG21 ILE 81 -11.302 21.743 15.889 608 HG22 ILE 81 HG22 ILE 81 -12.401 20.420 15.494 609 HG23 ILE 81 HG23 ILE 81 -10.657 20.188 15.358 610 HD11 ILE 81 HD11 ILE 81 -13.169 19.789 19.859 611 HD12 ILE 81 HD12 ILE 81 -12.750 21.458 20.242 612 HD13 ILE 81 HD13 ILE 81 -11.476 20.276 19.950 613 H GLU 82 H GLU 82 -13.120 17.725 15.761 614 HA GLU 82 HA GLU 82 -10.980 16.510 14.116 615 HB2 GLU 82 HB3 GLU 82 -13.882 15.743 13.857 616 HB3 GLU 82 HB2 GLU 82 -12.451 14.804 13.458 617 HG2 GLU 82 HG3 GLU 82 -11.957 14.782 15.988 618 HG3 GLU 82 HG2 GLU 82 -13.602 15.367 16.197 619 H ARG 83 H ARG 83 -10.580 17.564 12.264 620 HA ARG 83 HA ARG 83 -12.804 18.902 10.855 621 HB2 ARG 83 HB3 ARG 83 -10.099 20.120 11.461 622 HB3 ARG 83 HB2 ARG 83 -11.283 20.813 10.353 623 HG2 ARG 83 HG3 ARG 83 -12.906 21.039 12.156 624 HG3 ARG 83 HG2 ARG 83 -11.817 20.224 13.280 625 HD2 ARG 83 HD3 ARG 83 -11.652 22.627 13.624 626 HD3 ARG 83 HD2 ARG 83 -10.147 22.041 12.921 627 HE ARG 83 HE ARG 83 -11.945 22.886 10.875 628 HH11 ARG 83 HH11 ARG 83 -9.796 24.156 13.336 629 HH12 ARG 83 HH12 ARG 83 -9.507 25.634 12.481 630 HH21 ARG 83 HH21 ARG 83 -11.537 24.821 9.800 631 HH22 ARG 83 HH22 ARG 83 -10.484 26.006 10.497 632 H THR 84 H THR 84 -12.537 19.071 8.583 633 HA THR 84 HA THR 84 -10.701 17.087 7.488 634 HB THR 84 HB THR 84 -13.155 17.099 6.929 635 HG1 THR 84 HG1 THR 84 -11.435 16.223 5.596 636 HG21 THR 84 HG21 THR 84 -12.380 19.592 5.392 637 HG22 THR 84 HG22 THR 84 -13.521 19.509 6.735 638 HG23 THR 84 HG23 THR 84 -13.904 18.724 5.203 639 H ASP 85 H ASP 85 -9.193 17.517 5.881 640 HA ASP 85 HA ASP 85 -8.607 20.363 5.324 641 HB2 ASP 85 HB3 ASP 85 -7.085 19.513 7.085 642 HB3 ASP 85 HB2 ASP 85 -6.561 18.234 5.993 643 H THR 86 H THR 86 -8.726 20.687 3.210 644 HA THR 86 HA THR 86 -8.605 18.556 1.298 645 HB THR 86 HB THR 86 -8.575 21.500 0.629 646 HG1 THR 86 HG1 THR 86 -10.278 21.557 1.878 647 HG21 THR 86 HG21 THR 86 -10.132 20.582 -1.188 648 HG22 THR 86 HG22 THR 86 -9.618 18.979 -0.664 649 HG23 THR 86 HG23 THR 86 -8.434 20.121 -1.298 650 H SER 87 H SER 87 -6.418 17.987 2.107 651 HA SER 87 HA SER 87 -4.196 19.618 1.167 652 HB2 SER 87 HB3 SER 87 -2.783 17.872 2.114 653 HB3 SER 87 HB2 SER 87 -4.031 18.315 3.275 654 HG SER 87 HG SER 87 -3.510 15.932 2.360 655 H HIS 88 H HIS 88 -2.865 19.152 -0.550 656 HA HIS 88 HA HIS 88 -2.268 18.414 -2.620 657 HB2 HIS 88 HB3 HIS 88 -1.842 16.333 -1.260 658 HB3 HIS 88 HB2 HIS 88 -3.416 15.741 -1.785 659 HD1 HIS 88 HD1 HIS 88 -3.724 15.402 -4.419 660 HD2 HIS 88 HD2 HIS 88 0.191 16.097 -3.166 661 HE1 HIS 88 HE1 HIS 88 -2.225 14.741 -6.351 662 HE2 HIS 88 HE2 HIS 88 0.165 15.158 -5.602 663 H GLY 89 H GLY 89 -5.151 16.305 -2.334 664 HA2 GLY 89 HA3 GLY 89 -6.578 17.972 -4.291 665 HA3 GLY 89 HA2 GLY 89 -6.281 16.281 -4.686 666 H MET 90 H MET 90 -6.716 14.948 -2.403 667 HA MET 90 HA MET 90 -9.588 15.224 -2.019 668 HB2 MET 90 HB3 MET 90 -9.419 13.046 -0.874 669 HB3 MET 90 HB2 MET 90 -8.682 12.987 -2.471 670 HG2 MET 90 HG3 MET 90 -6.446 13.275 -1.463 671 HG3 MET 90 HG2 MET 90 -7.175 13.358 0.140 672 HE1 MET 90 HE1 MET 90 -9.005 11.793 0.740 673 HE2 MET 90 HE2 MET 90 -7.731 10.926 1.592 674 HE3 MET 90 HE3 MET 90 -8.888 10.034 0.608 675 H VAL 91 H VAL 91 -10.288 14.631 0.372 676 HA VAL 91 HA VAL 91 -8.799 16.468 2.145 677 HB VAL 91 HB VAL 91 -10.917 16.869 3.315 678 HG11 VAL 91 HG11 VAL 91 -10.638 17.463 0.398 679 HG12 VAL 91 HG12 VAL 91 -10.631 18.550 1.785 680 HG13 VAL 91 HG13 VAL 91 -12.150 17.897 1.198 681 HG21 VAL 91 HG21 VAL 91 -11.976 14.674 2.785 682 HG22 VAL 91 HG22 VAL 91 -12.194 15.214 1.120 683 HG23 VAL 91 HG23 VAL 91 -13.033 16.042 2.433 684 H ARG 92 H ARG 92 -8.587 15.953 4.341 685 HA ARG 92 HA ARG 92 -9.218 13.190 5.146 686 HB2 ARG 92 HB3 ARG 92 -6.534 14.573 5.398 687 HB3 ARG 92 HB2 ARG 92 -6.961 13.080 6.233 688 HG2 ARG 92 HG3 ARG 92 -7.378 11.977 4.069 689 HG3 ARG 92 HG2 ARG 92 -6.968 13.473 3.226 690 HD2 ARG 92 HD3 ARG 92 -4.702 13.401 4.211 691 HD3 ARG 92 HD2 ARG 92 -5.110 11.897 5.031 692 HE ARG 92 HE ARG 92 -4.504 12.228 2.208 693 HH11 ARG 92 HH11 ARG 92 -5.961 10.167 4.639 694 HH12 ARG 92 HH12 ARG 92 -5.818 8.735 3.676 695 HH21 ARG 92 HH21 ARG 92 -4.331 10.340 0.993 696 HH22 ARG 92 HH22 ARG 92 -4.902 8.834 1.630 697 H THR 93 H THR 93 -9.707 12.978 7.351 698 HA THR 93 HA THR 93 -10.251 15.501 8.719 699 HB THR 93 HB THR 93 -10.878 12.700 9.672 700 HG1 THR 93 HG1 THR 93 -11.853 13.164 7.653 701 HG21 THR 93 HG21 THR 93 -12.691 14.012 10.898 702 HG22 THR 93 HG22 THR 93 -11.821 15.473 10.425 703 HG23 THR 93 HG23 THR 93 -11.041 14.279 11.464 704 H GLU 94 H GLU 94 -8.691 16.371 9.868 705 HA GLU 94 HA GLU 94 -6.626 14.696 11.074 706 HB2 GLU 94 HB3 GLU 94 -5.464 16.837 11.523 707 HB3 GLU 94 HB2 GLU 94 -5.848 16.644 9.816 708 HG2 GLU 94 HG3 GLU 94 -7.831 18.088 10.090 709 HG3 GLU 94 HG2 GLU 94 -7.473 18.264 11.805 710 H VAL 95 H VAL 95 -6.265 14.553 13.221 711 HA VAL 95 HA VAL 95 -8.459 15.424 14.970 712 HB VAL 95 HB VAL 95 -6.252 13.379 15.383 713 HG11 VAL 95 HG11 VAL 95 -6.735 14.188 17.557 714 HG12 VAL 95 HG12 VAL 95 -7.763 12.764 17.398 715 HG13 VAL 95 HG13 VAL 95 -8.456 14.377 17.207 716 HG21 VAL 95 HG21 VAL 95 -8.159 12.866 13.765 717 HG22 VAL 95 HG22 VAL 95 -9.242 12.960 15.154 718 HG23 VAL 95 HG23 VAL 95 -7.974 11.735 15.106 719 H ILE 96 H ILE 96 -8.195 17.125 16.197 720 HA ILE 96 HA ILE 96 -5.476 17.927 17.029 721 HB ILE 96 HB ILE 96 -6.207 20.270 16.913 722 HG12 ILE 96 HG13 ILE 96 -8.560 19.344 15.252 723 HG13 ILE 96 HG12 ILE 96 -8.719 19.569 16.991 724 HG21 ILE 96 HG21 ILE 96 -6.248 18.594 14.403 725 HG22 ILE 96 HG22 ILE 96 -4.909 19.516 15.092 726 HG23 ILE 96 HG23 ILE 96 -6.272 20.361 14.363 727 HD11 ILE 96 HD11 ILE 96 -8.580 21.570 14.873 728 HD12 ILE 96 HD12 ILE 96 -7.419 21.892 16.163 729 HD13 ILE 96 HD13 ILE 96 -9.131 21.730 16.538 730 H CYS 97 H CYS 97 -5.410 19.199 18.959 731 HA CYS 97 HA CYS 97 -7.272 18.219 20.978 732 HB2 CYS 97 HB3 CYS 97 -4.834 18.328 21.318 733 HB3 CYS 97 HB2 CYS 97 -4.880 20.067 21.203 734 H ALA 98 H ALA 98 -8.908 19.404 21.832 735 HA ALA 98 HA ALA 98 -9.932 21.636 20.512 736 HB1 ALA 98 HB1 ALA 98 -11.190 20.062 22.011 737 HB2 ALA 98 HB2 ALA 98 -11.546 21.771 22.273 738 HB3 ALA 98 HB3 ALA 98 -10.484 20.910 23.388 739 H ASN 99 H ASN 99 -7.481 21.486 22.969 740 HA ASN 99 HA ASN 99 -7.735 24.367 23.508 741 HB2 ASN 99 HB3 ASN 99 -6.280 22.136 24.911 742 HB3 ASN 99 HB2 ASN 99 -6.080 23.838 25.336 743 HD21 ASN 99 HD21 ASN 99 -8.342 21.134 25.366 744 HD22 ASN 99 HD22 ASN 99 -9.517 21.891 26.331 745 H CYS 100 H CYS 100 -5.662 22.039 21.907 746 HA CYS 100 HA CYS 100 -4.020 24.283 20.966 747 HB2 CYS 100 HB3 CYS 100 -1.911 23.111 21.415 748 HB3 CYS 100 HB2 CYS 100 -2.797 23.447 22.900 749 H GLU 101 H GLU 101 -2.589 23.645 19.127 750 HA GLU 101 HA GLU 101 -4.166 22.142 17.254 751 HB2 GLU 101 HB3 GLU 101 -1.581 23.675 17.033 752 HB3 GLU 101 HB2 GLU 101 -2.218 22.732 15.685 753 HG2 GLU 101 HG3 GLU 101 -4.266 24.008 15.663 754 HG3 GLU 101 HG2 GLU 101 -3.827 24.837 17.154 755 H SER 102 H SER 102 -3.978 20.130 18.566 756 HA SER 102 HA SER 102 -1.492 18.644 18.249 757 HB2 SER 102 HB3 SER 102 -4.144 17.781 19.414 758 HB3 SER 102 HB2 SER 102 -2.653 16.852 19.458 759 HG SER 102 HG SER 102 -2.929 19.477 20.494 760 H HIS 103 H HIS 103 -2.262 19.385 15.840 761 HA HIS 103 HA HIS 103 -3.899 17.428 14.497 762 HB2 HIS 103 HB3 HIS 103 -2.762 18.482 12.388 763 HB3 HIS 103 HB2 HIS 103 -3.942 19.417 13.284 764 HD1 HIS 103 HD1 HIS 103 -2.940 21.696 12.632 765 HD2 HIS 103 HD2 HIS 103 -0.206 19.210 14.562 766 HE1 HIS 103 HE1 HIS 103 -0.942 23.140 13.212 767 HE2 HIS 103 HE2 HIS 103 0.732 21.640 14.390 768 H LEU 104 H LEU 104 -1.431 16.585 16.053 769 HA LEU 104 HA LEU 104 0.506 15.607 14.225 770 HB2 LEU 104 HB3 LEU 104 1.317 14.317 16.155 771 HB3 LEU 104 HB2 LEU 104 0.993 15.995 16.572 772 HG LEU 104 HG LEU 104 -1.413 15.012 17.237 773 HD11 LEU 104 HD11 LEU 104 -1.155 12.721 16.665 774 HD12 LEU 104 HD12 LEU 104 -0.928 12.751 18.410 775 HD13 LEU 104 HD13 LEU 104 0.470 12.647 17.340 776 HD21 LEU 104 HD21 LEU 104 -0.700 15.003 19.518 777 HD22 LEU 104 HD22 LEU 104 0.352 16.153 18.695 778 HD23 LEU 104 HD23 LEU 104 0.944 14.536 19.080 779 H GLY 105 H GLY 105 -2.640 14.493 15.193 780 HA2 GLY 105 HA3 GLY 105 -2.134 11.921 13.788 781 HA3 GLY 105 HA2 GLY 105 -3.168 12.051 15.202 782 H HIS 106 H HIS 106 -4.112 10.926 12.912 783 HA HIS 106 HA HIS 106 -6.167 12.860 12.033 784 HB2 HIS 106 HB3 HIS 106 -4.562 10.986 10.279 785 HB3 HIS 106 HB2 HIS 106 -6.062 11.751 9.761 786 HD1 HIS 106 HD1 HIS 106 -2.606 12.715 11.034 787 HD2 HIS 106 HD2 HIS 106 -5.732 14.340 8.797 788 HE1 HIS 106 HE1 HIS 106 -1.770 14.931 10.138 789 HE2 HIS 106 HE2 HIS 106 -3.664 15.936 8.779 790 H VAL 107 H VAL 107 -8.163 11.837 11.327 791 HA VAL 107 HA VAL 107 -8.499 9.054 12.248 792 HB VAL 107 HB VAL 107 -9.365 10.584 13.960 793 HG11 VAL 107 HG11 VAL 107 -11.433 11.555 11.994 794 HG12 VAL 107 HG12 VAL 107 -9.908 12.411 12.212 795 HG13 VAL 107 HG13 VAL 107 -11.014 12.221 13.571 796 HG21 VAL 107 HG21 VAL 107 -11.735 9.731 14.009 797 HG22 VAL 107 HG22 VAL 107 -10.525 8.476 13.738 798 HG23 VAL 107 HG23 VAL 107 -11.477 9.090 12.387 799 H PHE 108 H PHE 108 -9.975 7.803 11.116 800 HA PHE 108 HA PHE 108 -11.048 8.980 8.616 801 HB2 PHE 108 HB3 PHE 108 -9.774 6.257 8.982 802 HB3 PHE 108 HB2 PHE 108 -10.572 6.810 7.510 803 HD1 PHE 108 HD1 PHE 108 -7.593 7.087 9.622 804 HD2 PHE 108 HD2 PHE 108 -9.607 8.652 6.167 805 HE1 PHE 108 HE1 PHE 108 -5.495 8.197 8.903 806 HE2 PHE 108 HE2 PHE 108 -7.510 9.763 5.448 807 HZ PHE 108 HZ PHE 108 -5.453 9.535 6.816 808 H ALA 109 H ALA 109 -13.008 8.168 7.862 809 HA ALA 109 HA ALA 109 -14.543 6.542 9.807 810 HB1 ALA 109 HB1 ALA 109 -16.543 7.751 9.031 811 HB2 ALA 109 HB2 ALA 109 -15.539 8.714 7.946 812 HB3 ALA 109 HB3 ALA 109 -15.342 8.861 9.693 813 H GLY 110 H GLY 110 -16.251 5.208 8.893 814 HA2 GLY 110 HA3 GLY 110 -17.238 3.859 7.272 815 HA3 GLY 110 HA2 GLY 110 -16.248 4.644 6.050 816 H GLU 111 H GLU 111 -14.610 3.383 8.834 817 HA GLU 111 HA GLU 111 -13.071 1.563 7.235 818 HB2 GLU 111 HB3 GLU 111 -13.096 2.461 10.076 819 HB3 GLU 111 HB2 GLU 111 -12.389 0.877 9.768 820 HG2 GLU 111 HG3 GLU 111 -10.616 2.505 9.626 821 HG3 GLU 111 HG2 GLU 111 -10.957 1.949 7.989 822 H GLY 112 H GLY 112 -15.974 1.251 9.130 823 HA2 GLY 112 HA3 GLY 112 -17.418 -0.541 9.367 824 HA3 GLY 112 HA2 GLY 112 -16.408 -1.432 8.232 825 H TYR 113 H TYR 113 -15.410 0.024 11.293 826 HA TYR 113 HA TYR 113 -14.249 -2.488 12.165 827 HB2 TYR 113 HB3 TYR 113 -13.141 -0.212 12.411 828 HB3 TYR 113 HB2 TYR 113 -14.314 0.123 13.682 829 HD1 TYR 113 HD1 TYR 113 -11.773 -2.416 12.623 830 HD2 TYR 113 HD2 TYR 113 -13.881 -0.592 15.893 831 HE1 TYR 113 HE1 TYR 113 -10.359 -3.665 14.233 832 HE2 TYR 113 HE2 TYR 113 -12.468 -1.843 17.501 833 HH TYR 113 HH TYR 113 -9.617 -3.367 16.644 834 H ASP 114 H ASP 114 -17.299 -1.738 12.135 835 HA ASP 114 HA ASP 114 -19.136 -2.268 13.337 836 HB2 ASP 114 HB3 ASP 114 -17.776 -4.449 13.419 837 HB3 ASP 114 HB2 ASP 114 -17.378 -3.994 15.075 838 H THR 115 H THR 115 -18.258 0.121 14.022 839 HA THR 115 HA THR 115 -18.573 0.234 16.945 840 HB THR 115 HB THR 115 -17.269 2.541 16.519 841 HG1 THR 115 HG1 THR 115 -16.123 2.553 14.779 842 HG21 THR 115 HG21 THR 115 -16.302 1.232 18.147 843 HG22 THR 115 HG22 THR 115 -15.082 1.089 16.881 844 HG23 THR 115 HG23 THR 115 -16.251 -0.209 17.124 845 HA PRO 116 HA PRO 116 -22.032 2.897 16.224 846 HB2 PRO 116 HB3 PRO 116 -21.754 4.772 18.228 847 HB3 PRO 116 HB2 PRO 116 -22.375 3.130 18.479 848 HG2 PRO 116 HG3 PRO 116 -19.634 4.207 18.963 849 HG3 PRO 116 HG2 PRO 116 -20.604 3.097 19.949 850 HD2 PRO 116 HD3 PRO 116 -18.608 2.217 18.360 851 HD3 PRO 116 HD2 PRO 116 -20.077 1.254 18.616 852 H THR 117 H THR 117 -18.840 4.301 16.414 853 HA THR 117 HA THR 117 -19.711 6.726 14.966 854 HB THR 117 HB THR 117 -17.546 7.672 15.584 855 HG1 THR 117 HG1 THR 117 -15.987 6.459 16.322 856 HG21 THR 117 HG21 THR 117 -18.250 6.456 18.188 857 HG22 THR 117 HG22 THR 117 -19.598 7.230 17.348 858 HG23 THR 117 HG23 THR 117 -18.147 8.155 17.730 859 H ASP 118 H ASP 118 -17.961 3.763 14.610 860 HA ASP 118 HA ASP 118 -16.795 2.814 12.876 861 HB2 ASP 118 HB3 ASP 118 -18.400 4.810 11.256 862 HB3 ASP 118 HB2 ASP 118 -17.555 3.407 10.605 863 H LEU 119 H LEU 119 -15.485 4.877 14.310 864 HA LEU 119 HA LEU 119 -13.876 6.220 12.220 865 HB2 LEU 119 HB3 LEU 119 -14.312 6.902 15.134 866 HB3 LEU 119 HB2 LEU 119 -13.124 7.702 14.107 867 HG LEU 119 HG LEU 119 -16.067 7.559 13.402 868 HD11 LEU 119 HD11 LEU 119 -16.266 9.820 14.297 869 HD12 LEU 119 HD12 LEU 119 -14.556 9.826 14.736 870 HD13 LEU 119 HD13 LEU 119 -15.676 8.750 15.569 871 HD21 LEU 119 HD21 LEU 119 -14.633 8.043 11.499 872 HD22 LEU 119 HD22 LEU 119 -13.714 9.224 12.434 873 HD23 LEU 119 HD23 LEU 119 -15.390 9.557 11.996 874 H ARG 120 H ARG 120 -11.742 5.864 12.087 875 HA ARG 120 HA ARG 120 -10.512 4.042 14.065 876 HB2 ARG 120 HB3 ARG 120 -10.888 3.027 11.791 877 HB3 ARG 120 HB2 ARG 120 -9.811 4.255 11.124 878 HG2 ARG 120 HG3 ARG 120 -7.975 3.467 12.522 879 HG3 ARG 120 HG2 ARG 120 -9.041 2.310 13.320 880 HD2 ARG 120 HD3 ARG 120 -8.421 2.315 10.354 881 HD3 ARG 120 HD2 ARG 120 -7.644 1.264 11.536 882 HE ARG 120 HE ARG 120 -10.401 0.912 11.823 883 HH11 ARG 120 HH11 ARG 120 -7.974 0.386 9.348 884 HH12 ARG 120 HH12 ARG 120 -8.826 -0.941 8.633 885 HH21 ARG 120 HH21 ARG 120 -11.471 -0.821 10.863 886 HH22 ARG 120 HH22 ARG 120 -10.788 -1.618 9.484 887 H TYR 121 H TYR 121 -9.981 6.024 15.215 888 HA TYR 121 HA TYR 121 -8.427 8.124 14.196 889 HB2 TYR 121 HB3 TYR 121 -8.525 6.956 16.991 890 HB3 TYR 121 HB2 TYR 121 -7.775 8.493 16.574 891 HD1 TYR 121 HD1 TYR 121 -10.978 6.642 16.661 892 HD2 TYR 121 HD2 TYR 121 -9.102 10.471 16.234 893 HE1 TYR 121 HE1 TYR 121 -13.177 7.731 16.911 894 HE2 TYR 121 HE2 TYR 121 -11.311 11.575 16.470 895 HH TYR 121 HH TYR 121 -13.719 10.967 16.118 896 H CYS 122 H CYS 122 -6.426 8.096 13.435 897 HA CYS 122 HA CYS 122 -4.574 5.950 14.266 898 HB2 CYS 122 HB3 CYS 122 -4.553 7.728 11.805 899 HB3 CYS 122 HB2 CYS 122 -3.329 6.521 12.187 900 HG CYS 122 HG CYS 122 -5.482 4.781 12.167 901 H ILE 123 H ILE 123 -3.981 6.961 16.194 902 HA ILE 123 HA ILE 123 -2.415 9.458 15.878 903 HB ILE 123 HB ILE 123 -3.658 8.646 18.501 904 HG12 ILE 123 HG13 ILE 123 -5.576 8.750 16.959 905 HG13 ILE 123 HG12 ILE 123 -5.597 10.114 18.063 906 HG21 ILE 123 HG21 ILE 123 -1.931 10.384 18.484 907 HG22 ILE 123 HG22 ILE 123 -3.494 11.066 18.937 908 HG23 ILE 123 HG23 ILE 123 -2.863 11.312 17.306 909 HD11 ILE 123 HD11 ILE 123 -4.394 10.349 15.301 910 HD12 ILE 123 HD12 ILE 123 -4.943 11.642 16.365 911 HD13 ILE 123 HD13 ILE 123 -6.119 10.584 15.576 912 H ASN 124 H ASN 124 -0.441 9.549 16.832 913 HA ASN 124 HA ASN 124 0.567 7.056 18.070 914 HB2 ASN 124 HB3 ASN 124 1.714 8.911 16.084 915 HB3 ASN 124 HB2 ASN 124 2.820 8.485 17.387 916 HD21 ASN 124 HD21 ASN 124 2.387 5.860 17.906 917 HD22 ASN 124 HD22 ASN 124 2.560 4.907 16.512 918 H SER 125 H SER 125 1.839 7.225 19.938 919 HA SER 125 HA SER 125 1.203 9.557 21.556 920 HB2 SER 125 HB3 SER 125 0.888 7.353 22.540 921 HB3 SER 125 HB2 SER 125 2.577 6.951 22.247 922 HG SER 125 HG SER 125 2.520 7.674 24.308 923 H VAL 126 H VAL 126 2.510 11.161 20.640 924 HA VAL 126 HA VAL 126 5.388 10.827 20.547 925 HB VAL 126 HB VAL 126 4.103 12.247 18.893 926 HG11 VAL 126 HG11 VAL 126 3.144 14.282 19.441 927 HG12 VAL 126 HG12 VAL 126 4.143 14.498 20.878 928 HG13 VAL 126 HG13 VAL 126 2.782 13.373 20.907 929 HG21 VAL 126 HG21 VAL 126 5.895 13.767 18.621 930 HG22 VAL 126 HG22 VAL 126 6.611 12.394 19.463 931 HG23 VAL 126 HG23 VAL 126 6.198 13.858 20.356 932 H CYS 127 H CYS 127 4.749 10.147 23.012 933 HA CYS 127 HA CYS 127 5.364 10.492 25.194 934 HB2 CYS 127 HB3 CYS 127 7.297 11.814 24.214 935 HB3 CYS 127 HB2 CYS 127 6.320 13.264 24.436 936 HG CYS 127 HG CYS 127 7.957 12.324 26.571 937 H LEU 128 H LEU 128 2.879 10.543 24.909 938 HA LEU 128 HA LEU 128 1.627 13.052 25.745 939 HB2 LEU 128 HB3 LEU 128 0.441 11.800 24.074 940 HB3 LEU 128 HB2 LEU 128 0.558 10.313 25.003 941 HG LEU 128 HG LEU 128 -0.842 12.634 26.327 942 HD11 LEU 128 HD11 LEU 128 -1.869 12.812 24.176 943 HD12 LEU 128 HD12 LEU 128 -2.989 11.897 25.185 944 HD13 LEU 128 HD13 LEU 128 -1.979 11.060 24.005 945 HD21 LEU 128 HD21 LEU 128 -0.681 10.575 27.570 946 HD22 LEU 128 HD22 LEU 128 -1.207 9.625 26.188 947 HD23 LEU 128 HD23 LEU 128 -2.349 10.687 27.012 948 H THR 129 H THR 129 0.428 13.217 27.727 949 HA THR 129 HA THR 129 1.728 11.777 29.910 950 HB THR 129 HB THR 129 -0.279 14.046 30.010 951 HG1 THR 129 HG1 THR 129 2.550 14.052 30.199 952 HG21 THR 129 HG21 THR 129 1.721 13.143 32.098 953 HG22 THR 129 HG22 THR 129 0.029 12.644 32.104 954 HG23 THR 129 HG23 THR 129 0.447 14.348 32.285 955 H LEU 130 H LEU 130 0.850 10.266 31.165 956 HA LEU 130 HA LEU 130 -1.894 9.390 30.600 957 HB2 LEU 130 HB3 LEU 130 -0.355 7.555 30.434 958 HB3 LEU 130 HB2 LEU 130 0.460 8.005 31.927 959 HG LEU 130 HG LEU 130 -1.674 7.474 33.180 960 HD11 LEU 130 HD11 LEU 130 -3.068 7.705 30.996 961 HD12 LEU 130 HD12 LEU 130 -3.525 6.502 32.199 962 HD13 LEU 130 HD13 LEU 130 -2.647 6.010 30.749 963 HD21 LEU 130 HD21 LEU 130 -0.668 5.137 31.564 964 HD22 LEU 130 HD22 LEU 130 -1.435 5.099 33.158 965 HD23 LEU 130 HD23 LEU 130 0.168 5.822 32.962 966 H ILE 131 H ILE 131 -3.422 9.204 32.109 967 HA ILE 131 HA ILE 131 -2.890 10.358 34.776 968 HB ILE 131 HB ILE 131 -5.535 10.160 33.317 969 HG12 ILE 131 HG13 ILE 131 -4.110 11.845 32.224 970 HG13 ILE 131 HG12 ILE 131 -5.426 12.625 33.087 971 HG21 ILE 131 HG21 ILE 131 -6.073 10.121 35.586 972 HG22 ILE 131 HG22 ILE 131 -6.132 11.848 35.235 973 HG23 ILE 131 HG23 ILE 131 -4.717 11.158 36.036 974 HD11 ILE 131 HD11 ILE 131 -2.593 12.332 34.145 975 HD12 ILE 131 HD12 ILE 131 -3.914 13.189 34.938 976 HD13 ILE 131 HD13 ILE 131 -3.253 13.798 33.420 977 HA PRO 132 HA PRO 132 -3.520 5.887 35.510 978 HB2 PRO 132 HB3 PRO 132 -2.890 5.999 38.215 979 HB3 PRO 132 HB2 PRO 132 -1.719 5.748 36.910 980 HG2 PRO 132 HG3 PRO 132 -2.292 8.177 38.476 981 HG3 PRO 132 HG2 PRO 132 -0.804 7.656 37.677 982 HD2 PRO 132 HD3 PRO 132 -2.500 9.613 36.762 983 HD3 PRO 132 HD2 PRO 132 -1.308 8.743 35.769 984 H ALA 133 H ALA 133 -5.680 5.802 35.260 985 HA ALA 133 HA ALA 133 -7.568 7.221 36.743 986 HB1 ALA 133 HB1 ALA 133 -9.173 5.415 35.916 987 HB2 ALA 133 HB2 ALA 133 -7.764 4.652 35.176 988 HB3 ALA 133 HB3 ALA 133 -8.251 6.274 34.681 989 H GLU 134 H GLU 134 -6.589 3.786 37.207 990 HA GLU 134 HA GLU 134 -6.696 3.832 40.016 991 HB2 GLU 134 HB3 GLU 134 -9.163 4.175 39.573 992 HB3 GLU 134 HB2 GLU 134 -9.171 2.610 38.775 993 HG2 GLU 134 HG3 GLU 134 -8.458 1.516 40.849 994 HG3 GLU 134 HG2 GLU 134 -8.331 3.076 41.655 995 H GLU 135 H GLU 135 -7.934 1.583 37.525 996 HA GLU 135 HA GLU 135 -7.407 -0.573 37.000 997 HB2 GLU 135 HB3 GLU 135 -4.668 0.421 37.818 998 HB3 GLU 135 HB2 GLU 135 -4.952 -1.155 37.085 999 HG2 GLU 135 HG3 GLU 135 -5.684 1.512 35.837 1000 HG3 GLU 135 HG2 GLU 135 -4.293 0.528 35.394 1001 H SER 136 H SER 136 -8.674 -0.346 39.324 1002 HA SER 136 HA SER 136 -7.255 -1.927 41.350 1003 HB2 SER 136 HB3 SER 136 -9.356 -1.475 42.694 1004 HB3 SER 136 HB2 SER 136 -8.415 -0.050 42.263 1005 HG SER 136 HG SER 136 -10.921 -0.414 41.790 Start of MODEL 19 1 H MET 1 H1 MET 1 -6.094 24.318 31.976 2 HA MET 1 HA MET 1 -8.134 25.122 32.648 3 HB2 MET 1 HB3 MET 1 -7.642 24.213 35.029 4 HB3 MET 1 HB2 MET 1 -7.021 25.828 35.367 5 HG2 MET 1 HG3 MET 1 -9.172 26.822 34.772 6 HG3 MET 1 HG2 MET 1 -9.801 25.244 34.300 7 HE1 MET 1 HE1 MET 1 -11.681 25.974 35.574 8 HE2 MET 1 HE2 MET 1 -11.261 27.194 36.773 9 HE3 MET 1 HE3 MET 1 -11.931 25.650 37.296 10 H THR 2 H THR 2 -5.615 26.278 31.573 11 HA THR 2 HA THR 2 -6.237 29.126 32.041 12 HB THR 2 HB THR 2 -3.836 29.665 31.917 13 HG1 THR 2 HG1 THR 2 -2.566 28.193 31.188 14 HG21 THR 2 HG21 THR 2 -4.636 27.658 34.040 15 HG22 THR 2 HG22 THR 2 -4.740 29.415 34.138 16 HG23 THR 2 HG23 THR 2 -3.165 28.626 34.118 17 H ASN 3 H ASN 3 -5.447 30.532 30.269 18 HA ASN 3 HA ASN 3 -6.084 29.364 27.698 19 HB2 ASN 3 HB3 ASN 3 -6.780 31.688 28.444 20 HB3 ASN 3 HB2 ASN 3 -5.097 32.166 28.273 21 HD21 ASN 3 HD21 ASN 3 -5.651 33.640 26.509 22 HD22 ASN 3 HD22 ASN 3 -6.053 33.048 24.973 23 H PHE 4 H PHE 4 -4.593 28.237 26.620 24 HA PHE 4 HA PHE 4 -1.766 28.601 27.077 25 HB2 PHE 4 HB3 PHE 4 -3.335 26.815 25.212 26 HB3 PHE 4 HB2 PHE 4 -1.575 26.793 25.338 27 HD1 PHE 4 HD1 PHE 4 -4.735 26.262 27.215 28 HD2 PHE 4 HD2 PHE 4 -0.470 25.764 27.209 29 HE1 PHE 4 HE1 PHE 4 -4.902 24.804 29.213 30 HE2 PHE 4 HE2 PHE 4 -0.635 24.312 29.211 31 HZ PHE 4 HZ PHE 4 -2.851 23.831 30.213 32 H LYS 5 H LYS 5 -4.003 30.111 25.050 33 HA LYS 5 HA LYS 5 -2.539 30.458 22.656 34 HB2 LYS 5 HB3 LYS 5 -4.603 32.302 23.901 35 HB3 LYS 5 HB2 LYS 5 -4.094 32.302 22.213 36 HG2 LYS 5 HG3 LYS 5 -5.342 29.902 23.583 37 HG3 LYS 5 HG2 LYS 5 -6.261 31.071 22.640 38 HD2 LYS 5 HD3 LYS 5 -5.075 30.498 20.623 39 HD3 LYS 5 HD2 LYS 5 -3.911 29.518 21.514 40 HE2 LYS 5 HE3 LYS 5 -5.696 28.000 22.215 41 HE3 LYS 5 HE2 LYS 5 -6.877 28.964 21.323 42 HZ1 LYS 5 HZ1 LYS 5 -6.351 27.338 19.805 43 HZ2 LYS 5 HZ2 LYS 5 -4.727 27.240 20.294 44 HZ3 LYS 5 HZ3 LYS 5 -5.257 28.555 19.359 45 H LEU 6 H LEU 6 -2.594 32.189 25.705 46 HA LEU 6 HA LEU 6 -1.107 34.469 24.818 47 HB2 LEU 6 HB3 LEU 6 -1.593 33.450 27.630 48 HB3 LEU 6 HB2 LEU 6 -1.031 35.060 27.195 49 HG LEU 6 HG LEU 6 -3.715 33.869 26.406 50 HD11 LEU 6 HD11 LEU 6 -3.157 36.121 28.347 51 HD12 LEU 6 HD12 LEU 6 -3.358 34.444 28.856 52 HD13 LEU 6 HD13 LEU 6 -4.687 35.291 28.066 53 HD21 LEU 6 HD21 LEU 6 -2.435 36.570 25.904 54 HD22 LEU 6 HD22 LEU 6 -4.184 36.341 25.844 55 HD23 LEU 6 HD23 LEU 6 -3.143 35.461 24.726 56 H ILE 7 H ILE 7 -0.156 31.283 25.557 57 HA ILE 7 HA ILE 7 2.323 31.722 26.846 58 HB ILE 7 HB ILE 7 1.462 29.423 25.066 59 HG12 ILE 7 HG13 ILE 7 1.476 29.648 28.094 60 HG13 ILE 7 HG12 ILE 7 0.043 29.913 27.103 61 HG21 ILE 7 HG21 ILE 7 3.656 29.523 27.170 62 HG22 ILE 7 HG22 ILE 7 3.955 29.615 25.438 63 HG23 ILE 7 HG23 ILE 7 3.258 28.156 26.131 64 HD11 ILE 7 HD11 ILE 7 0.156 27.644 26.244 65 HD12 ILE 7 HD12 ILE 7 0.197 27.584 28.006 66 HD13 ILE 7 HD13 ILE 7 1.684 27.372 27.081 67 H THR 8 H THR 8 4.342 32.005 26.114 68 HA THR 8 HA THR 8 4.671 33.089 23.436 69 HB THR 8 HB THR 8 6.910 33.726 24.257 70 HG1 THR 8 HG1 THR 8 6.078 32.636 26.718 71 HG21 THR 8 HG21 THR 8 6.132 35.254 26.095 72 HG22 THR 8 HG22 THR 8 4.588 34.403 26.074 73 HG23 THR 8 HG23 THR 8 5.118 35.302 24.652 74 H ASP 9 H ASP 9 6.718 32.478 22.248 75 HA ASP 9 HA ASP 9 6.672 29.740 21.618 76 HB2 ASP 9 HB3 ASP 9 8.688 31.908 21.013 77 HB3 ASP 9 HB2 ASP 9 8.834 30.273 20.383 78 H THR 10 H THR 10 8.866 31.631 23.673 79 HA THR 10 HA THR 10 10.725 29.548 24.184 80 HB THR 10 HB THR 10 10.026 31.944 25.914 81 HG1 THR 10 HG1 THR 10 10.801 32.840 24.150 82 HG21 THR 10 HG21 THR 10 12.074 31.596 27.046 83 HG22 THR 10 HG22 THR 10 12.676 30.497 25.807 84 HG23 THR 10 HG23 THR 10 11.410 29.966 26.915 85 H GLU 11 H GLU 11 7.820 30.651 25.935 86 HA GLU 11 HA GLU 11 8.044 28.905 28.126 87 HB2 GLU 11 HB3 GLU 11 5.636 30.193 26.852 88 HB3 GLU 11 HB2 GLU 11 5.543 29.231 28.322 89 HG2 GLU 11 HG3 GLU 11 7.141 30.718 29.431 90 HG3 GLU 11 HG2 GLU 11 7.315 31.664 27.959 91 H TRP 12 H TRP 12 6.608 28.454 24.929 92 HA TRP 12 HA TRP 12 5.379 25.957 25.430 93 HB2 TRP 12 HB3 TRP 12 6.287 27.424 22.982 94 HB3 TRP 12 HB2 TRP 12 5.876 25.720 22.832 95 HD1 TRP 12 HD1 TRP 12 4.328 29.054 22.787 96 HE1 TRP 12 HE1 TRP 12 1.758 28.851 22.928 97 HE3 TRP 12 HE3 TRP 12 3.911 24.175 24.230 98 HZ2 TRP 12 HZ2 TRP 12 -0.215 26.865 23.562 99 HZ3 TRP 12 HZ3 TRP 12 1.690 23.151 24.584 100 HH2 TRP 12 HH2 TRP 12 -0.373 24.481 24.249 101 H ARG 13 H ARG 13 8.651 26.824 24.344 102 HA ARG 13 HA ARG 13 9.566 24.202 23.820 103 HB2 ARG 13 HB3 ARG 13 11.034 26.722 24.592 104 HB3 ARG 13 HB2 ARG 13 11.851 25.226 24.142 105 HG2 ARG 13 HG3 ARG 13 10.691 25.254 21.960 106 HG3 ARG 13 HG2 ARG 13 9.885 26.756 22.415 107 HD2 ARG 13 HD3 ARG 13 11.823 27.280 21.035 108 HD3 ARG 13 HD2 ARG 13 12.112 27.836 22.682 109 HE ARG 13 HE ARG 13 13.109 25.188 22.338 110 HH11 ARG 13 HH11 ARG 13 13.839 28.516 21.516 111 HH12 ARG 13 HH12 ARG 13 15.545 28.237 21.411 112 HH21 ARG 13 HH21 ARG 13 15.331 24.871 22.196 113 HH22 ARG 13 HH22 ARG 13 16.381 26.188 21.793 114 H GLN 14 H GLN 14 9.623 26.188 26.741 115 HA GLN 14 HA GLN 14 10.882 24.038 28.288 116 HB2 GLN 14 HB3 GLN 14 10.767 25.740 30.169 117 HB3 GLN 14 HB2 GLN 14 11.771 26.197 28.798 118 HG2 GLN 14 HG3 GLN 14 10.470 27.968 28.278 119 HG3 GLN 14 HG2 GLN 14 8.980 27.074 28.496 120 HE21 GLN 14 HE21 GLN 14 9.241 29.753 29.388 121 HE22 GLN 14 HE22 GLN 14 9.182 29.768 31.080 122 H ARG 15 H ARG 15 7.956 24.159 27.207 123 HA ARG 15 HA ARG 15 6.525 23.744 29.757 124 HB2 ARG 15 HB3 ARG 15 5.800 24.773 27.080 125 HB3 ARG 15 HB2 ARG 15 4.612 23.667 27.758 126 HG2 ARG 15 HG3 ARG 15 4.330 25.029 29.701 127 HG3 ARG 15 HG2 ARG 15 5.717 26.038 29.286 128 HD2 ARG 15 HD3 ARG 15 4.543 26.798 27.258 129 HD3 ARG 15 HD2 ARG 15 3.157 25.796 27.682 130 HE ARG 15 HE ARG 15 3.923 28.325 28.903 131 HH11 ARG 15 HH11 ARG 15 2.014 25.403 29.234 132 HH12 ARG 15 HH12 ARG 15 0.933 26.106 30.391 133 HH21 ARG 15 HH21 ARG 15 2.509 29.189 30.424 134 HH22 ARG 15 HH22 ARG 15 1.213 28.230 31.059 135 H LEU 16 H LEU 16 7.031 22.339 26.554 136 HA LEU 16 HA LEU 16 6.365 19.683 27.648 137 HB2 LEU 16 HB3 LEU 16 5.462 19.274 25.190 138 HB3 LEU 16 HB2 LEU 16 4.426 19.941 26.437 139 HG LEU 16 HG LEU 16 5.067 22.259 25.572 140 HD11 LEU 16 HD11 LEU 16 6.164 20.621 23.269 141 HD12 LEU 16 HD12 LEU 16 7.125 21.569 24.404 142 HD13 LEU 16 HD13 LEU 16 6.008 22.378 23.306 143 HD21 LEU 16 HD21 LEU 16 3.702 21.821 23.325 144 HD22 LEU 16 HD22 LEU 16 2.931 21.684 24.899 145 HD23 LEU 16 HD23 LEU 16 3.458 20.232 24.053 146 H SER 17 H SER 17 6.921 17.974 25.864 147 HA SER 17 HA SER 17 9.704 17.828 25.689 148 HB2 SER 17 HB3 SER 17 7.939 15.966 25.513 149 HB3 SER 17 HB2 SER 17 7.830 16.403 23.811 150 HG SER 17 HG SER 17 10.273 15.820 25.131 151 H SER 18 H SER 18 11.085 17.834 23.822 152 HA SER 18 HA SER 18 10.848 20.127 22.223 153 HB2 SER 18 HB3 SER 18 12.554 17.661 21.861 154 HB3 SER 18 HB2 SER 18 12.730 19.129 20.905 155 HG SER 18 HG SER 18 13.991 19.687 22.504 156 H GLU 19 H GLU 19 10.084 16.752 21.585 157 HA GLU 19 HA GLU 19 9.420 17.085 18.844 158 HB2 GLU 19 HB3 GLU 19 8.142 14.901 19.193 159 HB3 GLU 19 HB2 GLU 19 9.869 14.859 19.519 160 HG2 GLU 19 HG3 GLU 19 8.122 15.517 21.846 161 HG3 GLU 19 HG2 GLU 19 8.015 13.872 21.238 162 H GLU 20 H GLU 20 7.484 17.201 21.824 163 HA GLU 20 HA GLU 20 4.950 17.466 20.702 164 HB2 GLU 20 HB3 GLU 20 6.128 18.522 23.270 165 HB3 GLU 20 HB2 GLU 20 4.416 18.652 22.867 166 HG2 GLU 20 HG3 GLU 20 5.876 16.006 22.818 167 HG3 GLU 20 HG2 GLU 20 5.128 16.626 24.281 168 H TYR 21 H TYR 21 7.460 19.885 21.363 169 HA TYR 21 HA TYR 21 5.924 22.203 20.950 170 HB2 TYR 21 HB3 TYR 21 8.181 22.220 21.942 171 HB3 TYR 21 HB2 TYR 21 8.878 21.735 20.401 172 HD1 TYR 21 HD1 TYR 21 7.440 24.510 22.331 173 HD2 TYR 21 HD2 TYR 21 8.891 23.287 18.477 174 HE1 TYR 21 HE1 TYR 21 7.545 26.881 21.613 175 HE2 TYR 21 HE2 TYR 21 9.004 25.659 17.766 176 HH TYR 21 HH TYR 21 9.165 28.112 19.564 177 H ARG 22 H ARG 22 8.013 20.456 18.567 178 HA ARG 22 HA ARG 22 7.180 22.146 16.397 179 HB2 ARG 22 HB3 ARG 22 8.538 20.766 14.980 180 HB3 ARG 22 HB2 ARG 22 9.401 20.971 16.498 181 HG2 ARG 22 HG3 ARG 22 8.432 18.729 17.229 182 HG3 ARG 22 HG2 ARG 22 7.858 18.522 15.565 183 HD2 ARG 22 HD3 ARG 22 10.750 19.008 16.359 184 HD3 ARG 22 HD2 ARG 22 10.069 17.436 15.954 185 HE ARG 22 HE ARG 22 10.677 19.607 14.100 186 HH11 ARG 22 HH11 ARG 22 9.047 16.538 14.583 187 HH12 ARG 22 HH12 ARG 22 8.961 16.190 12.889 188 HH21 ARG 22 HH21 ARG 22 10.523 19.118 11.910 189 HH22 ARG 22 HH22 ARG 22 9.786 17.638 11.391 190 H VAL 23 H VAL 23 6.334 18.941 17.500 191 HA VAL 23 HA VAL 23 4.709 18.141 15.365 192 HB VAL 23 HB VAL 23 4.856 17.347 18.276 193 HG11 VAL 23 HG11 VAL 23 3.181 16.169 16.058 194 HG12 VAL 23 HG12 VAL 23 2.648 16.704 17.654 195 HG13 VAL 23 HG13 VAL 23 3.642 15.255 17.495 196 HG21 VAL 23 HG21 VAL 23 6.788 16.928 16.696 197 HG22 VAL 23 HG22 VAL 23 5.716 15.908 15.752 198 HG23 VAL 23 HG23 VAL 23 6.111 15.467 17.407 199 H LEU 24 H LEU 24 3.868 19.757 18.417 200 HA LEU 24 HA LEU 24 1.074 19.917 17.855 201 HB2 LEU 24 HB3 LEU 24 2.855 21.405 19.795 202 HB3 LEU 24 HB2 LEU 24 1.101 21.594 19.744 203 HG LEU 24 HG LEU 24 2.456 18.900 20.069 204 HD11 LEU 24 HD11 LEU 24 1.813 19.153 22.487 205 HD12 LEU 24 HD12 LEU 24 1.452 20.849 22.158 206 HD13 LEU 24 HD13 LEU 24 3.096 20.241 21.962 207 HD21 LEU 24 HD21 LEU 24 -0.373 19.928 20.457 208 HD22 LEU 24 HD22 LEU 24 0.172 18.356 21.046 209 HD23 LEU 24 HD23 LEU 24 0.177 18.699 19.316 210 H ARG 25 H ARG 25 3.840 22.037 17.348 211 HA ARG 25 HA ARG 25 2.453 24.379 16.660 212 HB2 ARG 25 HB3 ARG 25 4.823 24.328 17.303 213 HB3 ARG 25 HB2 ARG 25 5.213 23.464 15.821 214 HG2 ARG 25 HG3 ARG 25 5.739 25.792 15.457 215 HG3 ARG 25 HG2 ARG 25 4.284 25.436 14.530 216 HD2 ARG 25 HD3 ARG 25 2.889 26.407 16.292 217 HD3 ARG 25 HD2 ARG 25 4.311 26.689 17.292 218 HE ARG 25 HE ARG 25 4.763 27.980 14.857 219 HH11 ARG 25 HH11 ARG 25 2.500 28.215 17.524 220 HH12 ARG 25 HH12 ARG 25 2.234 29.911 17.299 221 HH21 ARG 25 HH21 ARG 25 4.384 30.182 14.598 222 HH22 ARG 25 HH22 ARG 25 3.293 31.015 15.655 223 H GLU 26 H GLU 26 3.889 21.889 14.490 224 HA GLU 26 HA GLU 26 2.070 22.862 12.368 225 HB2 GLU 26 HB3 GLU 26 3.918 22.618 10.727 226 HB3 GLU 26 HB2 GLU 26 4.224 23.866 11.934 227 HG2 GLU 26 HG3 GLU 26 5.595 22.244 13.233 228 HG3 GLU 26 HG2 GLU 26 5.331 21.040 11.974 229 H ALA 27 H ALA 27 2.259 20.288 14.135 230 HA ALA 27 HA ALA 27 1.835 18.027 13.829 231 HB1 ALA 27 HB1 ALA 27 1.130 18.238 10.973 232 HB2 ALA 27 HB2 ALA 27 0.258 19.364 12.007 233 HB3 ALA 27 HB3 ALA 27 0.180 17.632 12.328 234 H GLY 28 H GLY 28 4.435 18.742 13.644 235 HA2 GLY 28 HA3 GLY 28 5.878 18.125 11.350 236 HA3 GLY 28 HA2 GLY 28 6.500 18.020 12.984 237 H THR 29 H THR 29 4.891 15.927 14.010 238 HA THR 29 HA THR 29 4.622 13.629 12.448 239 HB THR 29 HB THR 29 6.956 12.624 13.617 240 HG1 THR 29 HG1 THR 29 8.560 14.085 13.135 241 HG21 THR 29 HG21 THR 29 7.458 12.012 11.491 242 HG22 THR 29 HG22 THR 29 7.381 13.666 10.894 243 HG23 THR 29 HG23 THR 29 5.901 12.723 11.069 244 H GLU 30 H GLU 30 5.328 11.553 14.072 245 HA GLU 30 HA GLU 30 4.643 12.159 16.830 246 HB2 GLU 30 HB3 GLU 30 2.701 10.597 16.855 247 HB3 GLU 30 HB2 GLU 30 2.415 12.026 15.869 248 HG2 GLU 30 HG3 GLU 30 3.201 10.598 13.876 249 HG3 GLU 30 HG2 GLU 30 3.008 9.211 14.947 250 H ALA 31 H ALA 31 6.973 11.350 16.503 251 HA ALA 31 HA ALA 31 7.167 8.423 16.361 252 HB1 ALA 31 HB1 ALA 31 9.603 8.826 16.314 253 HB2 ALA 31 HB2 ALA 31 9.307 10.558 16.465 254 HB3 ALA 31 HB3 ALA 31 8.762 9.692 15.028 255 HA PRO 32 HA PRO 32 7.291 8.481 20.911 256 HB2 PRO 32 HB3 PRO 32 7.199 5.801 21.282 257 HB3 PRO 32 HB2 PRO 32 5.772 6.748 20.801 258 HG2 PRO 32 HG3 PRO 32 7.630 5.153 19.076 259 HG3 PRO 32 HG2 PRO 32 5.862 5.161 19.096 260 HD2 PRO 32 HD3 PRO 32 7.269 6.551 17.284 261 HD3 PRO 32 HD2 PRO 32 5.722 7.140 17.932 262 H HIS 33 H HIS 33 8.599 6.746 22.464 263 HA HIS 33 HA HIS 33 10.640 6.186 23.325 264 HB2 HIS 33 HB3 HIS 33 11.323 5.801 20.403 265 HB3 HIS 33 HB2 HIS 33 12.367 5.320 21.741 266 HD1 HIS 33 HD1 HIS 33 11.574 3.336 23.234 267 HD2 HIS 33 HD2 HIS 33 9.008 4.194 20.070 268 HE1 HIS 33 HE1 HIS 33 9.955 1.394 23.081 269 HE2 HIS 33 HE2 HIS 33 8.387 1.897 21.148 270 H THR 34 H THR 34 9.985 8.936 22.796 271 HA THR 34 HA THR 34 12.696 10.089 22.515 272 HB THR 34 HB THR 34 11.551 12.159 21.708 273 HG1 THR 34 HG1 THR 34 9.374 11.847 21.011 274 HG21 THR 34 HG21 THR 34 12.525 10.690 20.064 275 HG22 THR 34 HG22 THR 34 10.947 11.189 19.456 276 HG23 THR 34 HG23 THR 34 11.153 9.586 20.162 277 H GLY 35 H GLY 35 10.659 9.244 24.846 278 HA2 GLY 35 HA3 GLY 35 11.438 11.457 26.589 279 HA3 GLY 35 HA2 GLY 35 9.715 11.124 26.445 280 H GLU 36 H GLU 36 12.399 10.505 28.236 281 HA GLU 36 HA GLU 36 12.035 7.746 28.915 282 HB2 GLU 36 HB3 GLU 36 13.698 8.195 30.641 283 HB3 GLU 36 HB2 GLU 36 14.172 8.935 29.115 284 HG2 GLU 36 HG3 GLU 36 13.301 11.113 29.889 285 HG3 GLU 36 HG2 GLU 36 12.846 10.378 31.424 286 H TYR 37 H TYR 37 10.742 10.741 30.089 287 HA TYR 37 HA TYR 37 9.728 9.673 32.574 288 HB2 TYR 37 HB3 TYR 37 8.590 11.895 32.772 289 HB3 TYR 37 HB2 TYR 37 10.335 11.998 32.554 290 HD1 TYR 37 HD1 TYR 37 7.054 12.363 30.852 291 HD2 TYR 37 HD2 TYR 37 11.295 12.992 30.588 292 HE1 TYR 37 HE1 TYR 37 6.723 13.768 28.837 293 HE2 TYR 37 HE2 TYR 37 10.961 14.398 28.573 294 HH TYR 37 HH TYR 37 8.743 15.873 27.713 295 H THR 38 H THR 38 8.751 8.683 29.755 296 HA THR 38 HA THR 38 5.947 9.295 29.725 297 HB THR 38 HB THR 38 5.819 7.502 28.036 298 HG1 THR 38 HG1 THR 38 8.494 7.113 28.844 299 HG21 THR 38 HG21 THR 38 6.393 9.567 27.078 300 HG22 THR 38 HG22 THR 38 7.652 8.486 26.484 301 HG23 THR 38 HG23 THR 38 7.989 9.578 27.826 302 H ASN 39 H ASN 39 4.251 7.629 29.976 303 HA ASN 39 HA ASN 39 4.914 5.483 31.882 304 HB2 ASN 39 HB3 ASN 39 4.189 7.527 33.146 305 HB3 ASN 39 HB2 ASN 39 2.641 7.432 32.312 306 HD21 ASN 39 HD21 ASN 39 3.328 7.033 35.254 307 HD22 ASN 39 HD22 ASN 39 2.690 5.507 35.637 308 H THR 40 H THR 40 4.347 3.752 30.704 309 HA THR 40 HA THR 40 1.644 3.713 29.485 310 HB THR 40 HB THR 40 2.565 2.104 27.830 311 HG1 THR 40 HG1 THR 40 4.421 1.293 28.305 312 HG21 THR 40 HG21 THR 40 2.422 4.561 27.377 313 HG22 THR 40 HG22 THR 40 3.725 3.769 26.492 314 HG23 THR 40 HG23 THR 40 4.087 4.722 27.932 315 H THR 41 H THR 41 2.908 2.735 32.186 316 HA THR 41 HA THR 41 2.326 -0.132 32.031 317 HB THR 41 HB THR 41 3.120 -0.178 34.372 318 HG1 THR 41 HG1 THR 41 2.451 1.952 34.889 319 HG21 THR 41 HG21 THR 41 4.737 -0.461 32.555 320 HG22 THR 41 HG22 THR 41 5.470 0.450 33.875 321 HG23 THR 41 HG23 THR 41 4.921 1.288 32.423 322 H THR 42 H THR 42 0.459 2.576 32.463 323 HA THR 42 HA THR 42 -1.482 1.112 34.148 324 HB THR 42 HB THR 42 -1.023 4.110 34.136 325 HG1 THR 42 HG1 THR 42 0.104 3.809 35.929 326 HG21 THR 42 HG21 THR 42 -2.573 4.125 36.024 327 HG22 THR 42 HG22 THR 42 -2.735 2.371 35.930 328 HG23 THR 42 HG23 THR 42 -3.358 3.383 34.628 329 H GLU 43 H GLU 43 -3.678 1.377 33.600 330 HA GLU 43 HA GLU 43 -4.144 2.420 30.864 331 HB2 GLU 43 HB3 GLU 43 -5.648 0.264 32.383 332 HB3 GLU 43 HB2 GLU 43 -6.042 0.837 30.763 333 HG2 GLU 43 HG3 GLU 43 -3.819 0.105 29.967 334 HG3 GLU 43 HG2 GLU 43 -3.437 -0.484 31.584 335 H GLY 44 H GLY 44 -4.867 4.474 31.196 336 HA2 GLY 44 HA3 GLY 44 -7.279 4.764 32.848 337 HA3 GLY 44 HA2 GLY 44 -5.917 5.823 33.149 338 H ILE 45 H ILE 45 -6.297 7.774 32.412 339 HA ILE 45 HA ILE 45 -7.830 8.086 29.896 340 HB ILE 45 HB ILE 45 -7.513 9.992 32.233 341 HG12 ILE 45 HG13 ILE 45 -10.083 8.665 31.346 342 HG13 ILE 45 HG12 ILE 45 -8.987 7.821 32.436 343 HG21 ILE 45 HG21 ILE 45 -7.819 10.994 29.881 344 HG22 ILE 45 HG22 ILE 45 -9.014 11.461 31.096 345 HG23 ILE 45 HG23 ILE 45 -9.416 10.239 29.892 346 HD11 ILE 45 HD11 ILE 45 -9.224 9.418 34.132 347 HD12 ILE 45 HD12 ILE 45 -10.860 9.267 33.485 348 HD13 ILE 45 HD13 ILE 45 -9.858 10.645 33.029 349 H TYR 46 H TYR 46 -6.974 9.145 28.247 350 HA TYR 46 HA TYR 46 -4.188 9.732 28.191 351 HB2 TYR 46 HB3 TYR 46 -6.440 10.223 26.249 352 HB3 TYR 46 HB2 TYR 46 -4.768 10.641 25.891 353 HD1 TYR 46 HD1 TYR 46 -7.071 7.846 26.680 354 HD2 TYR 46 HD2 TYR 46 -3.160 8.968 25.321 355 HE1 TYR 46 HE1 TYR 46 -6.633 5.497 26.012 356 HE2 TYR 46 HE2 TYR 46 -2.714 6.618 24.655 357 HH TYR 46 HH TYR 46 -4.301 4.076 25.718 358 H SER 47 H SER 47 -3.131 11.690 28.238 359 HA SER 47 HA SER 47 -4.752 14.106 28.400 360 HB2 SER 47 HB3 SER 47 -3.496 14.931 30.354 361 HB3 SER 47 HB2 SER 47 -4.422 13.483 30.722 362 HG SER 47 HG SER 47 -2.379 13.195 31.526 363 H CYS 48 H CYS 48 -4.020 15.624 27.158 364 HA CYS 48 HA CYS 48 -1.891 15.488 25.407 365 HB2 CYS 48 HB3 CYS 48 -3.929 17.317 25.987 366 HB3 CYS 48 HB2 CYS 48 -2.465 18.244 26.247 367 H ARG 49 H ARG 49 0.263 15.900 25.528 368 HA ARG 49 HA ARG 49 1.563 16.160 28.033 369 HB2 ARG 49 HB3 ARG 49 2.594 15.236 25.906 370 HB3 ARG 49 HB2 ARG 49 2.727 16.900 25.335 371 HG2 ARG 49 HG3 ARG 49 4.835 16.487 26.332 372 HG3 ARG 49 HG2 ARG 49 3.954 17.364 27.579 373 HD2 ARG 49 HD3 ARG 49 3.239 14.976 28.386 374 HD3 ARG 49 HD2 ARG 49 4.612 14.431 27.434 375 HE ARG 49 HE ARG 49 5.710 16.389 28.937 376 HH11 ARG 49 HH11 ARG 49 3.674 13.662 29.791 377 HH12 ARG 49 HH12 ARG 49 4.345 13.512 31.380 378 HH21 ARG 49 HH21 ARG 49 6.556 16.152 31.010 379 HH22 ARG 49 HH22 ARG 49 5.964 14.911 32.063 380 H ALA 50 H ALA 50 0.630 18.445 25.540 381 HA ALA 50 HA ALA 50 1.954 20.749 26.464 382 HB1 ALA 50 HB1 ALA 50 0.259 21.933 25.061 383 HB2 ALA 50 HB2 ALA 50 -0.560 20.384 24.840 384 HB3 ALA 50 HB3 ALA 50 1.088 20.616 24.224 385 H CYS 51 H CYS 51 -1.440 19.750 26.945 386 HA CYS 51 HA CYS 51 -1.646 21.793 29.081 387 HB2 CYS 51 HB3 CYS 51 -4.213 21.494 28.473 388 HB3 CYS 51 HB2 CYS 51 -3.179 22.587 27.565 389 H GLY 52 H GLY 52 -2.579 18.528 28.131 390 HA2 GLY 52 HA3 GLY 52 -2.625 16.695 29.653 391 HA3 GLY 52 HA2 GLY 52 -2.877 17.832 30.972 392 H THR 53 H THR 53 -4.712 18.308 28.081 393 HA THR 53 HA THR 53 -7.198 18.035 29.469 394 HB THR 53 HB THR 53 -7.729 17.899 26.693 395 HG1 THR 53 HG1 THR 53 -6.377 19.598 25.945 396 HG21 THR 53 HG21 THR 53 -8.514 19.472 28.749 397 HG22 THR 53 HG22 THR 53 -8.822 19.844 27.058 398 HG23 THR 53 HG23 THR 53 -7.448 20.582 27.883 399 H GLU 54 H GLU 54 -8.863 16.505 29.201 400 HA GLU 54 HA GLU 54 -7.943 13.799 28.900 401 HB2 GLU 54 HB3 GLU 54 -10.752 14.877 29.246 402 HB3 GLU 54 HB2 GLU 54 -10.282 13.183 29.377 403 HG2 GLU 54 HG3 GLU 54 -8.743 13.792 31.240 404 HG3 GLU 54 HG2 GLU 54 -9.319 15.454 31.131 405 H LEU 55 H LEU 55 -7.171 14.379 26.664 406 HA LEU 55 HA LEU 55 -8.822 14.772 24.450 407 HB2 LEU 55 HB3 LEU 55 -6.090 13.656 24.938 408 HB3 LEU 55 HB2 LEU 55 -6.799 13.399 23.352 409 HG LEU 55 HG LEU 55 -7.084 15.832 23.071 410 HD11 LEU 55 HD11 LEU 55 -7.435 16.383 25.468 411 HD12 LEU 55 HD12 LEU 55 -6.267 17.432 24.682 412 HD13 LEU 55 HD13 LEU 55 -5.710 16.140 25.736 413 HD21 LEU 55 HD21 LEU 55 -4.803 16.432 22.807 414 HD22 LEU 55 HD22 LEU 55 -4.895 14.690 22.538 415 HD23 LEU 55 HD23 LEU 55 -4.298 15.319 24.077 416 H PHE 56 H PHE 56 -7.748 11.741 25.957 417 HA PHE 56 HA PHE 56 -9.995 10.364 24.668 418 HB2 PHE 56 HB3 PHE 56 -7.117 9.425 24.480 419 HB3 PHE 56 HB2 PHE 56 -8.516 8.448 24.045 420 HD1 PHE 56 HD1 PHE 56 -6.337 11.206 23.061 421 HD2 PHE 56 HD2 PHE 56 -9.991 9.138 22.155 422 HE1 PHE 56 HE1 PHE 56 -6.382 12.269 20.821 423 HE2 PHE 56 HE2 PHE 56 -10.036 10.200 19.915 424 HZ PHE 56 HZ PHE 56 -8.232 11.766 19.247 425 H ARG 57 H ARG 57 -10.345 8.152 25.622 426 HA ARG 57 HA ARG 57 -9.224 7.833 28.317 427 HB2 ARG 57 HB3 ARG 57 -11.443 7.427 29.289 428 HB3 ARG 57 HB2 ARG 57 -11.306 9.064 28.661 429 HG2 ARG 57 HG3 ARG 57 -12.503 8.395 26.616 430 HG3 ARG 57 HG2 ARG 57 -12.597 6.741 27.211 431 HD2 ARG 57 HD3 ARG 57 -13.776 9.142 28.635 432 HD3 ARG 57 HD2 ARG 57 -14.696 8.035 27.621 433 HE ARG 57 HE ARG 57 -13.379 6.468 29.517 434 HH11 ARG 57 HH11 ARG 57 -15.796 9.009 29.522 435 HH12 ARG 57 HH12 ARG 57 -16.553 8.442 30.973 436 HH21 ARG 57 HH21 ARG 57 -14.395 5.769 31.398 437 HH22 ARG 57 HH22 ARG 57 -15.765 6.623 32.024 438 H SER 58 H SER 58 -9.787 5.710 29.273 439 HA SER 58 HA SER 58 -9.102 3.637 27.464 440 HB2 SER 58 HB3 SER 58 -9.177 2.185 29.397 441 HB3 SER 58 HB2 SER 58 -8.412 3.708 29.839 442 HG SER 58 HG SER 58 -9.956 3.996 31.222 443 H THR 59 H THR 59 -12.210 4.876 28.361 444 HA THR 59 HA THR 59 -13.644 2.421 28.124 445 HB THR 59 HB THR 59 -14.380 4.690 29.222 446 HG1 THR 59 HG1 THR 59 -16.082 2.975 27.751 447 HG21 THR 59 HG21 THR 59 -15.936 5.018 26.679 448 HG22 THR 59 HG22 THR 59 -14.356 5.780 26.808 449 HG23 THR 59 HG23 THR 59 -15.630 6.193 27.954 450 H GLU 60 H GLU 60 -12.680 4.871 25.791 451 HA GLU 60 HA GLU 60 -14.017 3.339 23.650 452 HB2 GLU 60 HB3 GLU 60 -13.380 6.209 24.034 453 HB3 GLU 60 HB2 GLU 60 -13.105 5.605 22.405 454 HG2 GLU 60 HG3 GLU 60 -15.350 6.241 22.272 455 HG3 GLU 60 HG2 GLU 60 -15.513 4.545 22.716 456 H LYS 61 H LYS 61 -11.285 2.884 25.063 457 HA LYS 61 HA LYS 61 -9.631 2.821 22.612 458 HB2 LYS 61 HB3 LYS 61 -8.560 4.148 24.302 459 HB3 LYS 61 HB2 LYS 61 -8.863 2.935 25.533 460 HG2 LYS 61 HG3 LYS 61 -7.257 2.058 23.163 461 HG3 LYS 61 HG2 LYS 61 -6.475 3.180 24.272 462 HD2 LYS 61 HD3 LYS 61 -7.095 1.614 26.156 463 HD3 LYS 61 HD2 LYS 61 -7.643 0.463 24.939 464 HE2 LYS 61 HE3 LYS 61 -5.397 0.447 23.927 465 HE3 LYS 61 HE2 LYS 61 -4.844 1.612 25.129 466 HZ1 LYS 61 HZ1 LYS 61 -4.877 0.071 26.783 467 HZ2 LYS 61 HZ2 LYS 61 -4.525 -0.953 25.473 468 HZ3 LYS 61 HZ3 LYS 61 -6.111 -0.851 26.074 469 H PHE 62 H PHE 62 -9.198 0.908 21.753 470 HA PHE 62 HA PHE 62 -10.013 -1.510 23.220 471 HB2 PHE 62 HB3 PHE 62 -10.864 -1.075 20.890 472 HB3 PHE 62 HB2 PHE 62 -9.213 -1.283 20.310 473 HD1 PHE 62 HD1 PHE 62 -12.055 -2.966 21.999 474 HD2 PHE 62 HD2 PHE 62 -8.199 -3.463 20.173 475 HE1 PHE 62 HE1 PHE 62 -12.366 -5.426 22.012 476 HE2 PHE 62 HE2 PHE 62 -8.511 -5.922 20.184 477 HZ PHE 62 HZ PHE 62 -10.594 -6.905 21.103 478 H ASN 63 H ASN 63 -7.375 -0.893 20.879 479 HA ASN 63 HA ASN 63 -5.219 -1.341 22.623 480 HB2 ASN 63 HB3 ASN 63 -6.031 -3.624 22.864 481 HB3 ASN 63 HB2 ASN 63 -6.136 -3.812 21.116 482 HD21 ASN 63 HD21 ASN 63 -3.802 -3.404 23.799 483 HD22 ASN 63 HD22 ASN 63 -2.479 -4.047 22.952 484 H SER 64 H SER 64 -5.868 -2.725 19.396 485 HA SER 64 HA SER 64 -5.066 -2.270 17.312 486 HB2 SER 64 HB3 SER 64 -4.259 0.415 18.443 487 HB3 SER 64 HB2 SER 64 -4.366 -0.012 16.740 488 HG SER 64 HG SER 64 -6.394 0.348 18.644 489 H HIS 65 H HIS 65 -2.695 -0.662 19.470 490 HA HIS 65 HA HIS 65 -0.449 -0.956 19.754 491 HB2 HIS 65 HB3 HIS 65 -1.465 -3.557 19.565 492 HB3 HIS 65 HB2 HIS 65 -0.174 -3.546 18.370 493 HD1 HIS 65 HD1 HIS 65 2.263 -3.175 19.243 494 HD2 HIS 65 HD2 HIS 65 -0.605 -3.325 22.266 495 HE1 HIS 65 HE1 HIS 65 3.532 -3.398 21.423 496 HE2 HIS 65 HE2 HIS 65 1.798 -3.493 23.276 497 H CYS 66 H CYS 66 1.560 -1.931 18.181 498 HA CYS 66 HA CYS 66 2.838 -1.427 16.347 499 HB2 CYS 66 HB3 CYS 66 0.162 -1.399 14.917 500 HB3 CYS 66 HB2 CYS 66 1.744 -1.482 14.142 501 HG CYS 66 HG CYS 66 1.185 -3.732 16.173 502 H GLY 67 H GLY 67 2.744 0.292 14.316 503 HA2 GLY 67 HA3 GLY 67 2.896 2.846 15.565 504 HA3 GLY 67 HA2 GLY 67 3.082 2.520 13.847 505 H TRP 68 H TRP 68 1.682 4.698 15.217 506 HA TRP 68 HA TRP 68 -0.291 5.860 15.193 507 HB2 TRP 68 HB3 TRP 68 -0.421 4.438 12.526 508 HB3 TRP 68 HB2 TRP 68 -1.469 5.780 12.985 509 HD1 TRP 68 HD1 TRP 68 -0.387 8.177 13.227 510 HE1 TRP 68 HE1 TRP 68 1.842 9.172 12.396 511 HE3 TRP 68 HE3 TRP 68 2.085 3.882 12.010 512 HZ2 TRP 68 HZ2 TRP 68 4.339 8.259 11.332 513 HZ3 TRP 68 HZ3 TRP 68 4.383 3.971 11.085 514 HH2 TRP 68 HH2 TRP 68 5.512 6.152 10.745 515 HA PRO 69 HA PRO 69 -2.802 2.039 16.558 516 HB2 PRO 69 HB3 PRO 69 -3.020 3.698 19.026 517 HB3 PRO 69 HB2 PRO 69 -2.719 1.958 18.858 518 HG2 PRO 69 HG3 PRO 69 -0.774 3.597 19.565 519 HG3 PRO 69 HG2 PRO 69 -0.468 2.252 18.450 520 HD2 PRO 69 HD3 PRO 69 -0.800 5.176 17.826 521 HD3 PRO 69 HD2 PRO 69 0.348 4.001 17.145 522 H SER 70 H SER 70 -5.059 1.970 16.610 523 HA SER 70 HA SER 70 -6.435 4.544 16.154 524 HB2 SER 70 HB3 SER 70 -7.196 1.751 15.294 525 HB3 SER 70 HB2 SER 70 -8.154 3.191 15.001 526 HG SER 70 HG SER 70 -5.812 2.321 13.815 527 H PHE 71 H PHE 71 -8.351 5.010 17.209 528 HA PHE 71 HA PHE 71 -9.260 3.149 19.313 529 HB2 PHE 71 HB3 PHE 71 -8.834 6.103 19.798 530 HB3 PHE 71 HB2 PHE 71 -9.374 4.910 20.966 531 HD1 PHE 71 HD1 PHE 71 -6.548 6.650 19.726 532 HD2 PHE 71 HD2 PHE 71 -7.751 2.831 21.280 533 HE1 PHE 71 HE1 PHE 71 -4.192 6.147 20.312 534 HE2 PHE 71 HE2 PHE 71 -5.397 2.329 21.868 535 HZ PHE 71 HZ PHE 71 -3.617 3.987 21.384 536 H PHE 72 H PHE 72 -11.359 4.156 20.316 537 HA PHE 72 HA PHE 72 -13.143 4.686 18.079 538 HB2 PHE 72 HB3 PHE 72 -13.875 4.280 20.994 539 HB3 PHE 72 HB2 PHE 72 -14.958 4.203 19.612 540 HD1 PHE 72 HD1 PHE 72 -13.273 2.214 21.895 541 HD2 PHE 72 HD2 PHE 72 -13.960 2.502 17.661 542 HE1 PHE 72 HE1 PHE 72 -12.772 -0.198 21.648 543 HE2 PHE 72 HE2 PHE 72 -13.460 0.085 17.419 544 HZ PHE 72 HZ PHE 72 -12.866 -1.262 19.414 545 H SER 73 H SER 73 -15.157 6.174 19.271 546 HA SER 73 HA SER 73 -14.416 8.792 18.811 547 HB2 SER 73 HB3 SER 73 -16.752 7.923 18.942 548 HB3 SER 73 HB2 SER 73 -16.607 7.901 20.695 549 HG SER 73 HG SER 73 -17.179 9.917 20.560 550 HA PRO 74 HA PRO 74 -12.115 10.000 22.465 551 HB2 PRO 74 HB3 PRO 74 -12.489 12.709 22.435 552 HB3 PRO 74 HB2 PRO 74 -11.400 11.871 21.313 553 HG2 PRO 74 HG3 PRO 74 -14.199 12.810 20.873 554 HG3 PRO 74 HG2 PRO 74 -12.785 12.955 19.815 555 HD2 PRO 74 HD3 PRO 74 -14.661 11.055 19.418 556 HD3 PRO 74 HD2 PRO 74 -12.941 10.754 19.084 557 H LEU 75 H LEU 75 -12.553 11.797 24.383 558 HA LEU 75 HA LEU 75 -14.471 10.740 26.058 559 HB2 LEU 75 HB3 LEU 75 -12.830 13.186 25.995 560 HB3 LEU 75 HB2 LEU 75 -14.349 13.411 26.864 561 HG LEU 75 HG LEU 75 -13.726 11.167 28.054 562 HD11 LEU 75 HD11 LEU 75 -11.113 11.113 28.259 563 HD12 LEU 75 HD12 LEU 75 -11.148 11.945 26.706 564 HD13 LEU 75 HD13 LEU 75 -11.880 10.356 26.866 565 HD21 LEU 75 HD21 LEU 75 -13.799 13.200 29.310 566 HD22 LEU 75 HD22 LEU 75 -12.355 13.824 28.516 567 HD23 LEU 75 HD23 LEU 75 -12.224 12.486 29.658 568 H ALA 76 H ALA 76 -14.865 13.925 24.439 569 HA ALA 76 HA ALA 76 -17.626 13.282 23.778 570 HB1 ALA 76 HB1 ALA 76 -17.317 15.749 25.422 571 HB2 ALA 76 HB2 ALA 76 -17.378 14.193 26.248 572 HB3 ALA 76 HB3 ALA 76 -18.718 14.698 25.219 573 H GLY 77 H GLY 77 -14.840 14.617 22.813 574 HA2 GLY 77 HA3 GLY 77 -14.381 15.863 20.901 575 HA3 GLY 77 HA2 GLY 77 -16.101 16.203 20.741 576 H ASP 78 H ASP 78 -15.222 16.917 23.883 577 HA ASP 78 HA ASP 78 -15.258 19.778 23.378 578 HB2 ASP 78 HB3 ASP 78 -15.186 18.181 25.945 579 HB3 ASP 78 HB2 ASP 78 -15.382 19.928 25.829 580 H LYS 79 H LYS 79 -13.070 17.253 24.374 581 HA LYS 79 HA LYS 79 -10.978 19.155 25.091 582 HB2 LYS 79 HB3 LYS 79 -10.475 16.199 24.987 583 HB3 LYS 79 HB2 LYS 79 -9.809 17.409 26.079 584 HG2 LYS 79 HG3 LYS 79 -12.692 16.437 26.147 585 HG3 LYS 79 HG2 LYS 79 -11.422 15.862 27.213 586 HD2 LYS 79 HD3 LYS 79 -11.166 18.035 28.218 587 HD3 LYS 79 HD2 LYS 79 -12.247 18.767 27.027 588 HE2 LYS 79 HE3 LYS 79 -14.116 17.429 27.841 589 HE3 LYS 79 HE2 LYS 79 -13.062 16.591 28.975 590 HZ1 LYS 79 HZ1 LYS 79 -14.341 18.417 29.995 591 HZ2 LYS 79 HZ2 LYS 79 -13.557 19.522 28.969 592 HZ3 LYS 79 HZ3 LYS 79 -12.666 18.650 30.123 593 H VAL 80 H VAL 80 -12.076 17.413 22.374 594 HA VAL 80 HA VAL 80 -9.652 18.144 20.867 595 HB VAL 80 HB VAL 80 -9.808 16.011 19.587 596 HG11 VAL 80 HG11 VAL 80 -8.165 16.089 21.307 597 HG12 VAL 80 HG12 VAL 80 -8.986 14.540 21.497 598 HG13 VAL 80 HG13 VAL 80 -9.376 15.884 22.572 599 HG21 VAL 80 HG21 VAL 80 -11.166 14.181 20.358 600 HG22 VAL 80 HG22 VAL 80 -12.239 15.575 20.216 601 HG23 VAL 80 HG23 VAL 80 -11.654 15.069 21.802 602 H ILE 81 H ILE 81 -10.018 18.759 18.721 603 HA ILE 81 HA ILE 81 -12.860 18.966 17.925 604 HB ILE 81 HB ILE 81 -10.633 20.964 17.947 605 HG12 ILE 81 HG13 ILE 81 -12.500 22.535 18.350 606 HG13 ILE 81 HG12 ILE 81 -13.659 21.240 18.067 607 HG21 ILE 81 HG21 ILE 81 -12.720 20.998 15.741 608 HG22 ILE 81 HG22 ILE 81 -10.987 20.754 15.515 609 HG23 ILE 81 HG23 ILE 81 -11.591 22.303 16.108 610 HD11 ILE 81 HD11 ILE 81 -11.563 20.779 20.153 611 HD12 ILE 81 HD12 ILE 81 -13.239 20.234 20.102 612 HD13 ILE 81 HD13 ILE 81 -12.867 21.904 20.538 613 H GLU 82 H GLU 82 -13.446 18.156 16.045 614 HA GLU 82 HA GLU 82 -11.354 17.056 14.265 615 HB2 GLU 82 HB3 GLU 82 -14.200 16.110 14.114 616 HB3 GLU 82 HB2 GLU 82 -12.717 15.246 13.742 617 HG2 GLU 82 HG3 GLU 82 -12.206 15.286 16.247 618 HG3 GLU 82 HG2 GLU 82 -13.853 15.859 16.481 619 H ARG 83 H ARG 83 -11.194 17.912 12.306 620 HA ARG 83 HA ARG 83 -13.516 19.125 10.996 621 HB2 ARG 83 HB3 ARG 83 -12.254 21.185 10.460 622 HB3 ARG 83 HB2 ARG 83 -12.492 21.000 12.195 623 HG2 ARG 83 HG3 ARG 83 -10.210 20.121 12.439 624 HG3 ARG 83 HG2 ARG 83 -9.967 20.227 10.695 625 HD2 ARG 83 HD3 ARG 83 -10.622 22.595 12.465 626 HD3 ARG 83 HD2 ARG 83 -8.991 22.161 11.961 627 HE ARG 83 HE ARG 83 -10.538 22.345 9.641 628 HH11 ARG 83 HH11 ARG 83 -9.464 24.476 12.209 629 HH12 ARG 83 HH12 ARG 83 -9.471 25.884 11.201 630 HH21 ARG 83 HH21 ARG 83 -10.533 24.202 8.367 631 HH22 ARG 83 HH22 ARG 83 -10.072 25.728 9.044 632 H THR 84 H THR 84 -13.215 19.399 8.682 633 HA THR 84 HA THR 84 -11.224 17.511 7.632 634 HB THR 84 HB THR 84 -13.612 17.106 7.090 635 HG1 THR 84 HG1 THR 84 -12.200 16.339 5.630 636 HG21 THR 84 HG21 THR 84 -14.400 19.426 6.999 637 HG22 THR 84 HG22 THR 84 -14.711 18.621 5.459 638 HG23 THR 84 HG23 THR 84 -13.351 19.735 5.614 639 H ASP 85 H ASP 85 -9.877 18.004 5.921 640 HA ASP 85 HA ASP 85 -9.684 20.869 5.178 641 HB2 ASP 85 HB3 ASP 85 -7.974 20.314 6.894 642 HB3 ASP 85 HB2 ASP 85 -7.344 19.063 5.831 643 H THR 86 H THR 86 -10.033 20.999 3.071 644 HA THR 86 HA THR 86 -9.649 18.809 1.261 645 HB THR 86 HB THR 86 -10.211 21.682 0.509 646 HG1 THR 86 HG1 THR 86 -11.795 21.313 1.912 647 HG21 THR 86 HG21 THR 86 -11.242 19.138 -0.747 648 HG22 THR 86 HG22 THR 86 -9.696 19.844 -1.215 649 HG23 THR 86 HG23 THR 86 -11.188 20.756 -1.443 650 H SER 87 H SER 87 -7.362 18.669 1.945 651 HA SER 87 HA SER 87 -5.567 20.605 0.659 652 HB2 SER 87 HB3 SER 87 -5.007 20.049 2.944 653 HB3 SER 87 HB2 SER 87 -5.033 18.326 2.573 654 HG SER 87 HG SER 87 -3.063 20.155 2.212 655 H HIS 88 H HIS 88 -4.335 20.164 -1.057 656 HA HIS 88 HA HIS 88 -3.517 19.141 -2.925 657 HB2 HIS 88 HB3 HIS 88 -2.458 17.722 -1.097 658 HB3 HIS 88 HB2 HIS 88 -3.729 16.540 -1.401 659 HD1 HIS 88 HD1 HIS 88 -1.243 18.522 -3.528 660 HD2 HIS 88 HD2 HIS 88 -2.943 14.723 -3.317 661 HE1 HIS 88 HE1 HIS 88 -0.206 17.168 -5.401 662 HE2 HIS 88 HE2 HIS 88 -1.233 14.849 -5.286 663 H GLY 89 H GLY 89 -6.405 19.449 -2.671 664 HA2 GLY 89 HA3 GLY 89 -8.151 19.035 -4.146 665 HA3 GLY 89 HA2 GLY 89 -7.181 17.778 -4.896 666 H MET 90 H MET 90 -7.206 17.176 -1.606 667 HA MET 90 HA MET 90 -9.667 15.562 -1.720 668 HB2 MET 90 HB3 MET 90 -8.476 13.663 -0.729 669 HB3 MET 90 HB2 MET 90 -7.747 14.125 -2.264 670 HG2 MET 90 HG3 MET 90 -5.985 15.370 -1.073 671 HG3 MET 90 HG2 MET 90 -6.712 14.929 0.472 672 HE1 MET 90 HE1 MET 90 -5.122 12.085 -2.700 673 HE2 MET 90 HE2 MET 90 -4.122 13.496 -2.369 674 HE3 MET 90 HE3 MET 90 -5.795 13.710 -2.874 675 H VAL 91 H VAL 91 -10.515 14.964 0.379 676 HA VAL 91 HA VAL 91 -9.725 16.891 2.472 677 HB VAL 91 HB VAL 91 -12.080 16.361 3.395 678 HG11 VAL 91 HG11 VAL 91 -11.612 18.543 2.615 679 HG12 VAL 91 HG12 VAL 91 -13.100 18.054 1.806 680 HG13 VAL 91 HG13 VAL 91 -11.567 18.006 0.936 681 HG21 VAL 91 HG21 VAL 91 -13.746 15.619 1.876 682 HG22 VAL 91 HG22 VAL 91 -12.423 14.463 1.729 683 HG23 VAL 91 HG23 VAL 91 -12.639 15.716 0.506 684 H ARG 92 H ARG 92 -9.305 16.308 4.464 685 HA ARG 92 HA ARG 92 -9.657 13.520 5.313 686 HB2 ARG 92 HB3 ARG 92 -7.100 15.138 5.425 687 HB3 ARG 92 HB2 ARG 92 -7.367 13.663 6.346 688 HG2 ARG 92 HG3 ARG 92 -7.650 12.372 4.313 689 HG3 ARG 92 HG2 ARG 92 -7.612 13.838 3.331 690 HD2 ARG 92 HD3 ARG 92 -5.318 12.910 5.078 691 HD3 ARG 92 HD2 ARG 92 -5.434 12.586 3.351 692 HE ARG 92 HE ARG 92 -5.741 15.349 3.708 693 HH11 ARG 92 HH11 ARG 92 -3.254 12.923 4.183 694 HH12 ARG 92 HH12 ARG 92 -1.956 14.040 3.930 695 HH21 ARG 92 HH21 ARG 92 -4.020 16.763 3.382 696 HH22 ARG 92 HH22 ARG 92 -2.387 16.195 3.480 697 H THR 93 H THR 93 -10.103 13.349 7.535 698 HA THR 93 HA THR 93 -10.819 15.867 8.809 699 HB THR 93 HB THR 93 -11.124 13.083 9.947 700 HG1 THR 93 HG1 THR 93 -13.022 12.983 8.911 701 HG21 THR 93 HG21 THR 93 -13.048 14.304 11.120 702 HG22 THR 93 HG22 THR 93 -12.321 15.800 10.533 703 HG23 THR 93 HG23 THR 93 -11.422 14.755 11.633 704 H GLU 94 H GLU 94 -9.233 16.947 9.701 705 HA GLU 94 HA GLU 94 -6.922 15.674 10.887 706 HB2 GLU 94 HB3 GLU 94 -7.752 18.593 10.809 707 HB3 GLU 94 HB2 GLU 94 -6.185 17.984 11.333 708 HG2 GLU 94 HG3 GLU 94 -5.802 17.045 9.079 709 HG3 GLU 94 HG2 GLU 94 -7.363 17.668 8.556 710 H VAL 95 H VAL 95 -6.582 15.374 13.017 711 HA VAL 95 HA VAL 95 -8.770 16.128 14.850 712 HB VAL 95 HB VAL 95 -6.610 14.018 15.162 713 HG11 VAL 95 HG11 VAL 95 -7.070 14.605 17.369 714 HG12 VAL 95 HG12 VAL 95 -8.311 13.378 17.105 715 HG13 VAL 95 HG13 VAL 95 -8.733 15.087 17.019 716 HG21 VAL 95 HG21 VAL 95 -8.475 13.588 13.487 717 HG22 VAL 95 HG22 VAL 95 -9.603 13.664 14.840 718 HG23 VAL 95 HG23 VAL 95 -8.360 12.413 14.797 719 H ILE 96 H ILE 96 -8.430 17.753 16.137 720 HA ILE 96 HA ILE 96 -5.681 18.415 16.987 721 HB ILE 96 HB ILE 96 -6.306 20.786 16.947 722 HG12 ILE 96 HG13 ILE 96 -8.747 20.073 15.304 723 HG13 ILE 96 HG12 ILE 96 -8.867 20.150 17.059 724 HG21 ILE 96 HG21 ILE 96 -6.021 21.094 14.605 725 HG22 ILE 96 HG22 ILE 96 -6.832 19.572 14.228 726 HG23 ILE 96 HG23 ILE 96 -5.236 19.561 14.977 727 HD11 ILE 96 HD11 ILE 96 -8.308 22.342 15.108 728 HD12 ILE 96 HD12 ILE 96 -7.637 22.462 16.738 729 HD13 ILE 96 HD13 ILE 96 -9.382 22.322 16.507 730 H CYS 97 H CYS 97 -5.565 19.559 18.992 731 HA CYS 97 HA CYS 97 -7.475 18.570 20.951 732 HB2 CYS 97 HB3 CYS 97 -5.087 18.555 21.409 733 HB3 CYS 97 HB2 CYS 97 -5.006 20.289 21.245 734 H ALA 98 H ALA 98 -9.020 19.756 21.951 735 HA ALA 98 HA ALA 98 -10.038 22.076 20.766 736 HB1 ALA 98 HB1 ALA 98 -11.582 22.158 22.612 737 HB2 ALA 98 HB2 ALA 98 -10.517 21.167 23.610 738 HB3 ALA 98 HB3 ALA 98 -11.311 20.464 22.198 739 H ASN 99 H ASN 99 -7.525 21.716 23.146 740 HA ASN 99 HA ASN 99 -7.658 24.576 23.839 741 HB2 ASN 99 HB3 ASN 99 -6.250 22.230 25.096 742 HB3 ASN 99 HB2 ASN 99 -5.980 23.900 25.596 743 HD21 ASN 99 HD21 ASN 99 -8.257 21.240 25.660 744 HD22 ASN 99 HD22 ASN 99 -9.405 21.992 26.658 745 H CYS 100 H CYS 100 -5.710 22.276 22.063 746 HA CYS 100 HA CYS 100 -3.974 24.487 21.231 747 HB2 CYS 100 HB3 CYS 100 -1.918 23.214 21.615 748 HB3 CYS 100 HB2 CYS 100 -2.786 23.487 23.123 749 H GLU 101 H GLU 101 -2.506 23.791 19.384 750 HA GLU 101 HA GLU 101 -4.173 22.464 17.438 751 HB2 GLU 101 HB3 GLU 101 -1.469 23.802 17.280 752 HB3 GLU 101 HB2 GLU 101 -2.204 22.991 15.898 753 HG2 GLU 101 HG3 GLU 101 -4.129 24.448 15.977 754 HG3 GLU 101 HG2 GLU 101 -3.592 25.158 17.496 755 H SER 102 H SER 102 -4.111 20.394 18.700 756 HA SER 102 HA SER 102 -1.703 18.780 18.389 757 HB2 SER 102 HB3 SER 102 -4.423 18.053 19.485 758 HB3 SER 102 HB2 SER 102 -3.019 17.002 19.483 759 HG SER 102 HG SER 102 -2.056 18.256 20.953 760 H HIS 103 H HIS 103 -2.298 19.620 16.010 761 HA HIS 103 HA HIS 103 -4.011 17.848 14.511 762 HB2 HIS 103 HB3 HIS 103 -2.775 18.920 12.511 763 HB3 HIS 103 HB2 HIS 103 -3.826 19.946 13.476 764 HD1 HIS 103 HD1 HIS 103 -2.493 22.086 12.861 765 HD2 HIS 103 HD2 HIS 103 -0.185 19.204 14.803 766 HE1 HIS 103 HE1 HIS 103 -0.345 23.232 13.552 767 HE2 HIS 103 HE2 HIS 103 1.071 21.492 14.739 768 H LEU 104 H LEU 104 -1.568 16.868 16.137 769 HA LEU 104 HA LEU 104 0.327 15.829 14.299 770 HB2 LEU 104 HB3 LEU 104 0.912 14.293 16.225 771 HB3 LEU 104 HB2 LEU 104 1.036 16.018 16.506 772 HG LEU 104 HG LEU 104 -1.645 15.142 17.241 773 HD11 LEU 104 HD11 LEU 104 -0.530 12.941 17.629 774 HD12 LEU 104 HD12 LEU 104 -1.095 13.679 19.127 775 HD13 LEU 104 HD13 LEU 104 0.615 13.738 18.706 776 HD21 LEU 104 HD21 LEU 104 -0.430 17.177 18.039 777 HD22 LEU 104 HD22 LEU 104 0.631 16.134 18.983 778 HD23 LEU 104 HD23 LEU 104 -1.092 16.204 19.352 779 H GLY 105 H GLY 105 -2.900 14.826 15.104 780 HA2 GLY 105 HA3 GLY 105 -2.417 12.320 13.582 781 HA3 GLY 105 HA2 GLY 105 -3.385 12.324 15.037 782 H HIS 106 H HIS 106 -4.545 11.311 12.922 783 HA HIS 106 HA HIS 106 -6.571 13.303 12.127 784 HB2 HIS 106 HB3 HIS 106 -5.167 11.324 10.314 785 HB3 HIS 106 HB2 HIS 106 -6.646 12.174 9.875 786 HD1 HIS 106 HD1 HIS 106 -3.080 12.961 10.962 787 HD2 HIS 106 HD2 HIS 106 -6.194 14.684 8.774 788 HE1 HIS 106 HE1 HIS 106 -2.148 15.077 9.930 789 HE2 HIS 106 HE2 HIS 106 -4.031 16.141 8.603 790 H VAL 107 H VAL 107 -8.609 12.267 11.433 791 HA VAL 107 HA VAL 107 -8.970 9.562 12.576 792 HB VAL 107 HB VAL 107 -9.945 11.262 14.067 793 HG11 VAL 107 HG11 VAL 107 -10.408 12.878 12.118 794 HG12 VAL 107 HG12 VAL 107 -11.602 12.799 13.411 795 HG13 VAL 107 HG13 VAL 107 -11.896 11.962 11.886 796 HG21 VAL 107 HG21 VAL 107 -11.075 9.162 14.090 797 HG22 VAL 107 HG22 VAL 107 -11.859 9.490 12.545 798 HG23 VAL 107 HG23 VAL 107 -12.344 10.382 13.987 799 H PHE 108 H PHE 108 -10.137 8.135 11.377 800 HA PHE 108 HA PHE 108 -11.386 9.111 8.879 801 HB2 PHE 108 HB3 PHE 108 -9.063 8.342 8.412 802 HB3 PHE 108 HB2 PHE 108 -9.487 6.755 9.047 803 HD1 PHE 108 HD1 PHE 108 -10.422 9.264 6.441 804 HD2 PHE 108 HD2 PHE 108 -10.543 5.143 7.653 805 HE1 PHE 108 HE1 PHE 108 -11.319 8.636 4.217 806 HE2 PHE 108 HE2 PHE 108 -11.442 4.517 5.428 807 HZ PHE 108 HZ PHE 108 -11.829 6.262 3.710 808 H ALA 109 H ALA 109 -13.267 8.164 8.376 809 HA ALA 109 HA ALA 109 -14.320 6.116 10.184 810 HB1 ALA 109 HB1 ALA 109 -16.461 6.759 9.476 811 HB2 ALA 109 HB2 ALA 109 -15.859 7.423 7.957 812 HB3 ALA 109 HB3 ALA 109 -15.562 8.277 9.471 813 H GLY 110 H GLY 110 -15.496 4.269 9.321 814 HA2 GLY 110 HA3 GLY 110 -15.978 2.669 7.642 815 HA3 GLY 110 HA2 GLY 110 -14.801 3.449 6.591 816 H GLU 111 H GLU 111 -14.103 2.633 9.937 817 HA GLU 111 HA GLU 111 -11.765 1.148 9.227 818 HB2 GLU 111 HB3 GLU 111 -12.016 2.486 11.328 819 HB3 GLU 111 HB2 GLU 111 -13.164 1.281 11.910 820 HG2 GLU 111 HG3 GLU 111 -11.433 -0.467 11.735 821 HG3 GLU 111 HG2 GLU 111 -10.282 0.728 11.137 822 H GLY 112 H GLY 112 -15.084 0.289 9.979 823 HA2 GLY 112 HA3 GLY 112 -16.216 -1.705 9.709 824 HA3 GLY 112 HA2 GLY 112 -14.760 -2.372 8.981 825 H TYR 113 H TYR 113 -14.715 -0.943 12.179 826 HA TYR 113 HA TYR 113 -13.911 -3.509 13.313 827 HB2 TYR 113 HB3 TYR 113 -12.715 -1.278 13.748 828 HB3 TYR 113 HB2 TYR 113 -14.081 -0.881 14.789 829 HD1 TYR 113 HD1 TYR 113 -11.508 -3.526 14.176 830 HD2 TYR 113 HD2 TYR 113 -14.137 -1.673 17.023 831 HE1 TYR 113 HE1 TYR 113 -10.497 -4.879 15.991 832 HE2 TYR 113 HE2 TYR 113 -13.126 -3.027 18.837 833 HH TYR 113 HH TYR 113 -11.407 -5.714 18.383 834 H ASP 114 H ASP 114 -16.809 -2.544 12.613 835 HA ASP 114 HA ASP 114 -18.905 -2.898 13.409 836 HB2 ASP 114 HB3 ASP 114 -17.756 -5.156 13.863 837 HB3 ASP 114 HB2 ASP 114 -17.695 -4.641 15.547 838 H THR 115 H THR 115 -17.958 -0.537 14.197 839 HA THR 115 HA THR 115 -18.882 -0.268 16.977 840 HB THR 115 HB THR 115 -17.343 1.932 16.750 841 HG1 THR 115 HG1 THR 115 -16.731 1.136 14.606 842 HG21 THR 115 HG21 THR 115 -16.129 0.982 18.392 843 HG22 THR 115 HG22 THR 115 -15.647 -0.379 17.381 844 HG23 THR 115 HG23 THR 115 -17.198 -0.408 18.220 845 HA PRO 116 HA PRO 116 -21.894 2.623 15.583 846 HB2 PRO 116 HB3 PRO 116 -21.773 4.614 17.485 847 HB3 PRO 116 HB2 PRO 116 -22.544 3.038 17.742 848 HG2 PRO 116 HG3 PRO 116 -19.830 3.969 18.567 849 HG3 PRO 116 HG2 PRO 116 -21.015 2.997 19.462 850 HD2 PRO 116 HD3 PRO 116 -18.876 1.885 18.244 851 HD3 PRO 116 HD2 PRO 116 -20.428 1.033 18.348 852 H THR 117 H THR 117 -18.657 3.857 16.154 853 HA THR 117 HA THR 117 -19.199 6.177 14.397 854 HB THR 117 HB THR 117 -17.136 7.143 15.320 855 HG1 THR 117 HG1 THR 117 -17.108 4.837 16.963 856 HG21 THR 117 HG21 THR 117 -18.064 7.821 17.335 857 HG22 THR 117 HG22 THR 117 -18.634 6.203 17.738 858 HG23 THR 117 HG23 THR 117 -19.495 7.170 16.539 859 H ASP 118 H ASP 118 -17.239 3.294 14.762 860 HA ASP 118 HA ASP 118 -15.711 2.261 13.387 861 HB2 ASP 118 HB3 ASP 118 -17.364 3.665 11.273 862 HB3 ASP 118 HB2 ASP 118 -16.276 2.309 10.987 863 H LEU 119 H LEU 119 -14.823 4.704 14.492 864 HA LEU 119 HA LEU 119 -13.307 6.014 12.331 865 HB2 LEU 119 HB3 LEU 119 -13.692 6.790 15.235 866 HB3 LEU 119 HB2 LEU 119 -12.776 7.716 14.053 867 HG LEU 119 HG LEU 119 -15.708 7.018 13.705 868 HD11 LEU 119 HD11 LEU 119 -16.260 9.195 14.533 869 HD12 LEU 119 HD12 LEU 119 -14.565 9.683 14.577 870 HD13 LEU 119 HD13 LEU 119 -15.169 8.489 15.725 871 HD21 LEU 119 HD21 LEU 119 -15.620 8.861 12.042 872 HD22 LEU 119 HD22 LEU 119 -14.496 7.573 11.625 873 HD23 LEU 119 HD23 LEU 119 -13.897 9.056 12.360 874 H ARG 120 H ARG 120 -11.080 6.014 12.263 875 HA ARG 120 HA ARG 120 -9.720 4.272 14.228 876 HB2 ARG 120 HB3 ARG 120 -8.096 3.710 12.421 877 HB3 ARG 120 HB2 ARG 120 -9.734 3.167 12.075 878 HG2 ARG 120 HG3 ARG 120 -10.101 4.996 10.555 879 HG3 ARG 120 HG2 ARG 120 -8.594 5.774 11.028 880 HD2 ARG 120 HD3 ARG 120 -8.785 3.049 9.720 881 HD3 ARG 120 HD2 ARG 120 -8.422 4.542 8.861 882 HE ARG 120 HE ARG 120 -6.601 4.346 10.974 883 HH11 ARG 120 HH11 ARG 120 -7.376 2.577 8.048 884 HH12 ARG 120 HH12 ARG 120 -5.759 1.994 7.836 885 HH21 ARG 120 HH21 ARG 120 -4.514 3.565 10.659 886 HH22 ARG 120 HH22 ARG 120 -4.153 2.550 9.303 887 H TYR 121 H TYR 121 -9.828 6.627 15.183 888 HA TYR 121 HA TYR 121 -8.267 8.757 14.474 889 HB2 TYR 121 HB3 TYR 121 -8.552 7.544 17.230 890 HB3 TYR 121 HB2 TYR 121 -7.926 9.153 16.905 891 HD1 TYR 121 HD1 TYR 121 -10.921 6.997 16.761 892 HD2 TYR 121 HD2 TYR 121 -9.398 10.983 16.358 893 HE1 TYR 121 HE1 TYR 121 -13.229 7.873 16.828 894 HE2 TYR 121 HE2 TYR 121 -11.712 11.870 16.411 895 HH TYR 121 HH TYR 121 -14.020 11.017 15.909 896 H CYS 122 H CYS 122 -6.249 8.596 13.619 897 HA CYS 122 HA CYS 122 -4.258 6.848 14.907 898 HB2 CYS 122 HB3 CYS 122 -4.160 8.383 12.292 899 HB3 CYS 122 HB2 CYS 122 -2.881 7.333 12.904 900 HG CYS 122 HG CYS 122 -4.403 5.899 11.319 901 H ILE 123 H ILE 123 -3.714 8.001 16.736 902 HA ILE 123 HA ILE 123 -2.107 10.409 16.310 903 HB ILE 123 HB ILE 123 -4.056 10.623 18.585 904 HG12 ILE 123 HG13 ILE 123 -4.910 11.317 15.735 905 HG13 ILE 123 HG12 ILE 123 -5.518 9.952 16.650 906 HG21 ILE 123 HG21 ILE 123 -3.914 13.101 17.459 907 HG22 ILE 123 HG22 ILE 123 -2.395 12.428 16.882 908 HG23 ILE 123 HG23 ILE 123 -2.730 12.493 18.610 909 HD11 ILE 123 HD11 ILE 123 -5.861 12.883 17.290 910 HD12 ILE 123 HD12 ILE 123 -6.284 11.585 18.413 911 HD13 ILE 123 HD13 ILE 123 -7.116 11.716 16.862 912 H ASN 124 H ASN 124 -1.495 11.123 18.845 913 HA ASN 124 HA ASN 124 -0.400 10.593 20.770 914 HB2 ASN 124 HB3 ASN 124 -2.355 8.731 20.775 915 HB3 ASN 124 HB2 ASN 124 -0.959 7.670 20.604 916 HD21 ASN 124 HD21 ASN 124 -2.789 8.149 22.990 917 HD22 ASN 124 HD22 ASN 124 -1.739 8.567 24.255 918 H SER 125 H SER 125 1.189 8.463 21.450 919 HA SER 125 HA SER 125 3.121 7.327 21.022 920 HB2 SER 125 HB3 SER 125 1.935 6.940 18.668 921 HB3 SER 125 HB2 SER 125 3.230 8.006 18.126 922 HG SER 125 HG SER 125 3.317 5.414 18.974 923 H VAL 126 H VAL 126 2.712 10.591 20.871 924 HA VAL 126 HA VAL 126 5.604 11.004 20.360 925 HB VAL 126 HB VAL 126 3.887 12.196 18.829 926 HG11 VAL 126 HG11 VAL 126 3.830 14.398 20.869 927 HG12 VAL 126 HG12 VAL 126 2.657 13.084 21.040 928 HG13 VAL 126 HG13 VAL 126 2.697 14.037 19.559 929 HG21 VAL 126 HG21 VAL 126 5.353 14.311 18.917 930 HG22 VAL 126 HG22 VAL 126 6.174 12.773 18.661 931 HG23 VAL 126 HG23 VAL 126 6.190 13.528 20.254 932 H CYS 127 H CYS 127 4.835 10.015 22.811 933 HA CYS 127 HA CYS 127 5.301 10.335 25.036 934 HB2 CYS 127 HB3 CYS 127 7.231 11.708 24.084 935 HB3 CYS 127 HB2 CYS 127 6.237 13.133 24.384 936 HG CYS 127 HG CYS 127 7.426 11.291 26.590 937 H LEU 128 H LEU 128 2.798 10.386 24.725 938 HA LEU 128 HA LEU 128 1.542 12.894 25.572 939 HB2 LEU 128 HB3 LEU 128 0.358 11.633 23.900 940 HB3 LEU 128 HB2 LEU 128 0.484 10.152 24.835 941 HG LEU 128 HG LEU 128 -0.922 12.453 26.176 942 HD11 LEU 128 HD11 LEU 128 -1.746 12.409 23.770 943 HD12 LEU 128 HD12 LEU 128 -2.980 12.162 25.005 944 HD13 LEU 128 HD13 LEU 128 -2.355 10.787 24.095 945 HD21 LEU 128 HD21 LEU 128 -2.415 10.544 26.877 946 HD22 LEU 128 HD22 LEU 128 -0.731 10.315 27.339 947 HD23 LEU 128 HD23 LEU 128 -1.386 9.457 25.950 948 H THR 129 H THR 129 0.378 13.072 27.552 949 HA THR 129 HA THR 129 1.608 11.571 29.735 950 HB THR 129 HB THR 129 -0.339 13.898 29.820 951 HG1 THR 129 HG1 THR 129 1.439 15.136 30.007 952 HG21 THR 129 HG21 THR 129 0.302 14.121 32.146 953 HG22 THR 129 HG22 THR 129 1.484 12.822 31.991 954 HG23 THR 129 HG23 THR 129 -0.239 12.461 31.890 955 H LEU 130 H LEU 130 0.639 10.117 30.991 956 HA LEU 130 HA LEU 130 -2.122 9.341 30.330 957 HB2 LEU 130 HB3 LEU 130 -0.607 7.483 30.062 958 HB3 LEU 130 HB2 LEU 130 0.161 7.805 31.612 959 HG LEU 130 HG LEU 130 -2.033 7.278 32.746 960 HD11 LEU 130 HD11 LEU 130 -3.820 6.261 31.577 961 HD12 LEU 130 HD12 LEU 130 -2.889 6.158 30.082 962 HD13 LEU 130 HD13 LEU 130 -3.426 7.727 30.682 963 HD21 LEU 130 HD21 LEU 130 -0.983 5.064 30.991 964 HD22 LEU 130 HD22 LEU 130 -1.913 4.889 32.484 965 HD23 LEU 130 HD23 LEU 130 -0.284 5.573 32.532 966 H ILE 131 H ILE 131 -3.670 9.238 31.847 967 HA ILE 131 HA ILE 131 -3.018 10.316 34.513 968 HB ILE 131 HB ILE 131 -5.718 10.144 33.168 969 HG12 ILE 131 HG13 ILE 131 -4.316 11.823 32.037 970 HG13 ILE 131 HG12 ILE 131 -5.574 12.619 32.972 971 HG21 ILE 131 HG21 ILE 131 -6.085 11.891 35.190 972 HG22 ILE 131 HG22 ILE 131 -4.790 10.919 35.911 973 HG23 ILE 131 HG23 ILE 131 -6.294 10.153 35.388 974 HD11 ILE 131 HD11 ILE 131 -2.679 12.273 33.818 975 HD12 ILE 131 HD12 ILE 131 -3.932 13.043 34.790 976 HD13 ILE 131 HD13 ILE 131 -3.421 13.775 33.267 977 HA PRO 132 HA PRO 132 -3.649 5.957 35.564 978 HB2 PRO 132 HB3 PRO 132 -3.381 6.643 38.370 979 HB3 PRO 132 HB2 PRO 132 -2.251 5.763 37.335 980 HG2 PRO 132 HG3 PRO 132 -1.916 8.341 38.321 981 HG3 PRO 132 HG2 PRO 132 -0.975 7.575 37.034 982 HD2 PRO 132 HD3 PRO 132 -3.039 9.643 36.922 983 HD3 PRO 132 HD2 PRO 132 -1.776 9.226 35.745 984 H ALA 133 H ALA 133 -5.831 5.815 35.038 985 HA ALA 133 HA ALA 133 -7.922 7.096 36.419 986 HB1 ALA 133 HB1 ALA 133 -9.385 5.344 35.389 987 HB2 ALA 133 HB2 ALA 133 -7.928 4.523 34.829 988 HB3 ALA 133 HB3 ALA 133 -8.313 6.139 34.234 989 H GLU 134 H GLU 134 -7.345 3.553 36.576 990 HA GLU 134 HA GLU 134 -7.154 3.381 39.393 991 HB2 GLU 134 HB3 GLU 134 -9.550 4.158 39.166 992 HB3 GLU 134 HB2 GLU 134 -9.883 2.651 38.319 993 HG2 GLU 134 HG3 GLU 134 -9.153 1.364 40.280 994 HG3 GLU 134 HG2 GLU 134 -8.752 2.858 41.126 995 H GLU 135 H GLU 135 -8.125 1.872 36.358 996 HA GLU 135 HA GLU 135 -7.810 -0.220 35.491 997 HB2 GLU 135 HB3 GLU 135 -5.640 -0.351 37.604 998 HB3 GLU 135 HB2 GLU 135 -5.839 -1.512 36.292 999 HG2 GLU 135 HG3 GLU 135 -5.563 0.324 34.646 1000 HG3 GLU 135 HG2 GLU 135 -5.308 1.456 35.975 1001 H SER 136 H SER 136 -9.918 0.012 37.110 1002 HA SER 136 HA SER 136 -11.447 -1.147 38.382 1003 HB2 SER 136 HB3 SER 136 -10.951 -2.788 36.517 1004 HB3 SER 136 HB2 SER 136 -9.831 -3.585 37.618 1005 HG SER 136 HG SER 136 -11.640 -4.609 38.103 Start of MODEL 20 1 H MET 1 H1 MET 1 -9.994 28.197 30.626 2 HA MET 1 HA MET 1 -10.711 29.193 28.572 3 HB2 MET 1 HB3 MET 1 -12.040 31.150 30.462 4 HB3 MET 1 HB2 MET 1 -11.800 31.484 28.747 5 HG2 MET 1 HG3 MET 1 -13.017 29.337 28.235 6 HG3 MET 1 HG2 MET 1 -13.397 29.207 29.952 7 HE1 MET 1 HE1 MET 1 -13.970 31.279 31.222 8 HE2 MET 1 HE2 MET 1 -15.635 30.733 31.060 9 HE3 MET 1 HE3 MET 1 -15.234 32.421 30.749 10 H THR 2 H THR 2 -8.426 29.023 30.291 11 HA THR 2 HA THR 2 -7.165 31.535 30.687 12 HB THR 2 HB THR 2 -6.437 29.539 31.892 13 HG1 THR 2 HG1 THR 2 -4.901 31.129 31.594 14 HG21 THR 2 HG21 THR 2 -6.825 27.901 30.054 15 HG22 THR 2 HG22 THR 2 -5.220 27.740 30.770 16 HG23 THR 2 HG23 THR 2 -5.415 28.547 29.214 17 H ASN 3 H ASN 3 -7.575 29.562 27.861 18 HA ASN 3 HA ASN 3 -6.923 29.812 25.677 19 HB2 ASN 3 HB3 ASN 3 -7.726 32.210 26.259 20 HB3 ASN 3 HB2 ASN 3 -6.013 32.609 26.316 21 HD21 ASN 3 HD21 ASN 3 -6.125 33.932 24.389 22 HD22 ASN 3 HD22 ASN 3 -6.360 33.249 22.856 23 H PHE 4 H PHE 4 -5.236 28.487 25.373 24 HA PHE 4 HA PHE 4 -2.612 28.999 26.468 25 HB2 PHE 4 HB3 PHE 4 -3.658 26.928 24.529 26 HB3 PHE 4 HB2 PHE 4 -1.998 26.966 25.125 27 HD1 PHE 4 HD1 PHE 4 -5.532 26.440 26.042 28 HD2 PHE 4 HD2 PHE 4 -1.470 26.409 27.435 29 HE1 PHE 4 HE1 PHE 4 -6.246 25.249 28.098 30 HE2 PHE 4 HE2 PHE 4 -2.183 25.222 29.491 31 HZ PHE 4 HZ PHE 4 -4.571 24.642 29.823 32 H LYS 5 H LYS 5 -4.242 30.133 23.726 33 HA LYS 5 HA LYS 5 -2.202 30.164 21.764 34 HB2 LYS 5 HB3 LYS 5 -4.501 32.108 22.134 35 HB3 LYS 5 HB2 LYS 5 -3.576 31.863 20.655 36 HG2 LYS 5 HG3 LYS 5 -5.194 29.690 22.017 37 HG3 LYS 5 HG2 LYS 5 -5.795 30.670 20.685 38 HD2 LYS 5 HD3 LYS 5 -4.144 29.786 19.177 39 HD3 LYS 5 HD2 LYS 5 -3.274 29.000 20.494 40 HE2 LYS 5 HE3 LYS 5 -4.585 27.301 19.422 41 HE3 LYS 5 HE2 LYS 5 -5.361 27.671 20.965 42 HZ1 LYS 5 HZ1 LYS 5 -7.150 27.795 19.593 43 HZ2 LYS 5 HZ2 LYS 5 -6.242 28.279 18.241 44 HZ3 LYS 5 HZ3 LYS 5 -6.621 29.401 19.460 45 H LEU 6 H LEU 6 -2.965 32.285 24.444 46 HA LEU 6 HA LEU 6 -1.351 34.489 23.604 47 HB2 LEU 6 HB3 LEU 6 -2.384 33.800 26.367 48 HB3 LEU 6 HB2 LEU 6 -1.756 35.362 25.858 49 HG LEU 6 HG LEU 6 -4.211 33.998 24.698 50 HD11 LEU 6 HD11 LEU 6 -4.376 34.874 27.072 51 HD12 LEU 6 HD12 LEU 6 -5.510 35.594 25.930 52 HD13 LEU 6 HD13 LEU 6 -4.068 36.483 26.419 53 HD21 LEU 6 HD21 LEU 6 -3.366 35.375 22.967 54 HD22 LEU 6 HD22 LEU 6 -2.828 36.622 24.096 55 HD23 LEU 6 HD23 LEU 6 -4.549 36.409 23.770 56 H ILE 7 H ILE 7 -0.544 31.465 24.971 57 HA ILE 7 HA ILE 7 1.624 32.137 26.635 58 HB ILE 7 HB ILE 7 1.176 29.634 24.977 59 HG12 ILE 7 HG13 ILE 7 0.631 30.144 27.918 60 HG13 ILE 7 HG12 ILE 7 -0.604 30.297 26.670 61 HG21 ILE 7 HG21 ILE 7 2.941 30.049 27.421 62 HG22 ILE 7 HG22 ILE 7 3.547 29.950 25.771 63 HG23 ILE 7 HG23 ILE 7 2.757 28.556 26.501 64 HD11 ILE 7 HD11 ILE 7 1.030 27.779 27.055 65 HD12 ILE 7 HD12 ILE 7 -0.440 27.976 26.099 66 HD13 ILE 7 HD13 ILE 7 -0.519 28.043 27.860 67 H THR 8 H THR 8 3.789 32.329 26.277 68 HA THR 8 HA THR 8 4.585 33.353 23.693 69 HB THR 8 HB THR 8 6.424 32.892 26.029 70 HG1 THR 8 HG1 THR 8 4.495 34.925 25.643 71 HG21 THR 8 HG21 THR 8 7.626 33.702 24.186 72 HG22 THR 8 HG22 THR 8 7.261 35.165 25.097 73 HG23 THR 8 HG23 THR 8 6.311 34.758 23.668 74 H ASP 9 H ASP 9 6.688 32.635 22.751 75 HA ASP 9 HA ASP 9 6.562 29.875 22.133 76 HB2 ASP 9 HB3 ASP 9 8.723 30.289 20.929 77 HB3 ASP 9 HB2 ASP 9 7.427 31.393 20.480 78 H THR 10 H THR 10 8.666 31.758 24.262 79 HA THR 10 HA THR 10 10.498 29.698 24.896 80 HB THR 10 HB THR 10 9.631 32.060 26.599 81 HG1 THR 10 HG1 THR 10 10.474 32.903 24.803 82 HG21 THR 10 HG21 THR 10 10.936 30.146 27.730 83 HG22 THR 10 HG22 THR 10 11.653 31.754 27.831 84 HG23 THR 10 HG23 THR 10 12.275 30.584 26.668 85 H GLU 11 H GLU 11 7.453 30.729 26.418 86 HA GLU 11 HA GLU 11 7.508 28.996 28.621 87 HB2 GLU 11 HB3 GLU 11 5.207 30.210 27.102 88 HB3 GLU 11 HB2 GLU 11 5.001 29.284 28.584 89 HG2 GLU 11 HG3 GLU 11 6.382 30.839 29.821 90 HG3 GLU 11 HG2 GLU 11 6.816 31.697 28.349 91 H TRP 12 H TRP 12 6.333 28.511 25.311 92 HA TRP 12 HA TRP 12 5.145 25.976 25.738 93 HB2 TRP 12 HB3 TRP 12 6.183 27.439 23.334 94 HB3 TRP 12 HB2 TRP 12 5.761 25.737 23.189 95 HD1 TRP 12 HD1 TRP 12 4.256 29.085 23.011 96 HE1 TRP 12 HE1 TRP 12 1.682 28.915 23.027 97 HE3 TRP 12 HE3 TRP 12 3.707 24.242 24.520 98 HZ2 TRP 12 HZ2 TRP 12 -0.343 26.970 23.600 99 HZ3 TRP 12 HZ3 TRP 12 1.455 23.253 24.783 100 HH2 TRP 12 HH2 TRP 12 -0.570 24.605 24.327 101 H ARG 13 H ARG 13 8.453 26.946 24.896 102 HA ARG 13 HA ARG 13 9.477 24.353 24.410 103 HB2 ARG 13 HB3 ARG 13 10.819 26.911 25.294 104 HB3 ARG 13 HB2 ARG 13 11.705 25.438 24.895 105 HG2 ARG 13 HG3 ARG 13 10.758 25.442 22.639 106 HG3 ARG 13 HG2 ARG 13 9.784 26.860 23.027 107 HD2 ARG 13 HD3 ARG 13 11.773 27.567 21.812 108 HD3 ARG 13 HD2 ARG 13 11.879 28.133 23.476 109 HE ARG 13 HE ARG 13 13.139 25.590 23.211 110 HH11 ARG 13 HH11 ARG 13 13.621 28.981 22.459 111 HH12 ARG 13 HH12 ARG 13 15.349 28.858 22.483 112 HH21 ARG 13 HH21 ARG 13 15.387 25.477 23.227 113 HH22 ARG 13 HH22 ARG 13 16.337 26.889 22.913 114 H GLN 14 H GLN 14 9.239 26.309 27.339 115 HA GLN 14 HA GLN 14 10.471 24.198 28.955 116 HB2 GLN 14 HB3 GLN 14 10.098 25.861 30.855 117 HB3 GLN 14 HB2 GLN 14 11.222 26.356 29.595 118 HG2 GLN 14 HG3 GLN 14 9.937 28.099 28.958 119 HG3 GLN 14 HG2 GLN 14 8.454 27.171 29.033 120 HE21 GLN 14 HE21 GLN 14 8.608 29.860 29.962 121 HE22 GLN 14 HE22 GLN 14 8.369 29.856 31.639 122 H ARG 15 H ARG 15 7.543 24.380 27.684 123 HA ARG 15 HA ARG 15 6.014 23.704 30.113 124 HB2 ARG 15 HB3 ARG 15 5.355 24.764 27.413 125 HB3 ARG 15 HB2 ARG 15 4.165 23.687 28.133 126 HG2 ARG 15 HG3 ARG 15 3.856 25.109 30.006 127 HG3 ARG 15 HG2 ARG 15 5.298 26.055 29.636 128 HD2 ARG 15 HD3 ARG 15 4.255 26.920 27.622 129 HD3 ARG 15 HD2 ARG 15 2.852 25.884 27.854 130 HE ARG 15 HE ARG 15 3.468 28.348 29.295 131 HH11 ARG 15 HH11 ARG 15 1.518 25.437 29.190 132 HH12 ARG 15 HH12 ARG 15 0.285 26.090 30.214 133 HH21 ARG 15 HH21 ARG 15 1.841 29.154 30.621 134 HH22 ARG 15 HH22 ARG 15 0.468 28.176 31.018 135 H LEU 16 H LEU 16 6.903 22.480 26.925 136 HA LEU 16 HA LEU 16 6.228 19.756 27.808 137 HB2 LEU 16 HB3 LEU 16 5.360 19.442 25.348 138 HB3 LEU 16 HB2 LEU 16 4.296 20.099 26.581 139 HG LEU 16 HG LEU 16 4.933 22.420 25.784 140 HD11 LEU 16 HD11 LEU 16 7.059 21.857 24.697 141 HD12 LEU 16 HD12 LEU 16 5.959 22.607 23.544 142 HD13 LEU 16 HD13 LEU 16 6.209 20.863 23.516 143 HD21 LEU 16 HD21 LEU 16 3.689 22.037 23.467 144 HD22 LEU 16 HD22 LEU 16 2.845 21.799 24.992 145 HD23 LEU 16 HD23 LEU 16 3.465 20.408 24.108 146 H SER 17 H SER 17 6.889 18.160 25.960 147 HA SER 17 HA SER 17 9.685 18.145 25.794 148 HB2 SER 17 HB3 SER 17 7.581 16.663 24.214 149 HB3 SER 17 HB2 SER 17 9.302 16.338 24.052 150 HG SER 17 HG SER 17 8.353 14.972 25.599 151 H SER 18 H SER 18 11.080 18.335 23.978 152 HA SER 18 HA SER 18 10.703 20.646 22.425 153 HB2 SER 18 HB3 SER 18 12.588 18.315 22.036 154 HB3 SER 18 HB2 SER 18 12.671 19.815 21.115 155 HG SER 18 HG SER 18 13.376 19.273 23.728 156 H GLU 19 H GLU 19 10.185 17.233 21.743 157 HA GLU 19 HA GLU 19 9.530 17.524 19.003 158 HB2 GLU 19 HB3 GLU 19 8.359 15.288 19.345 159 HB3 GLU 19 HB2 GLU 19 10.076 15.326 19.708 160 HG2 GLU 19 HG3 GLU 19 8.268 15.913 21.998 161 HG3 GLU 19 HG2 GLU 19 8.195 14.274 21.374 162 H GLU 20 H GLU 20 7.546 17.562 21.955 163 HA GLU 20 HA GLU 20 5.016 17.722 20.775 164 HB2 GLU 20 HB3 GLU 20 6.088 18.791 23.389 165 HB3 GLU 20 HB2 GLU 20 4.384 18.853 22.947 166 HG2 GLU 20 HG3 GLU 20 5.968 16.278 22.933 167 HG3 GLU 20 HG2 GLU 20 5.121 16.852 24.363 168 H TYR 21 H TYR 21 7.423 20.208 21.523 169 HA TYR 21 HA TYR 21 5.860 22.499 21.137 170 HB2 TYR 21 HB3 TYR 21 8.117 22.490 22.141 171 HB3 TYR 21 HB2 TYR 21 8.816 22.075 20.582 172 HD1 TYR 21 HD1 TYR 21 7.490 24.758 22.674 173 HD2 TYR 21 HD2 TYR 21 8.687 23.703 18.682 174 HE1 TYR 21 HE1 TYR 21 7.601 27.160 22.064 175 HE2 TYR 21 HE2 TYR 21 8.801 26.105 18.080 176 HH TYR 21 HH TYR 21 7.497 28.558 20.067 177 H ARG 22 H ARG 22 7.996 20.847 18.731 178 HA ARG 22 HA ARG 22 7.127 22.570 16.597 179 HB2 ARG 22 HB3 ARG 22 8.534 21.262 15.153 180 HB3 ARG 22 HB2 ARG 22 9.387 21.486 16.675 181 HG2 ARG 22 HG3 ARG 22 8.583 19.207 17.390 182 HG3 ARG 22 HG2 ARG 22 7.900 18.994 15.769 183 HD2 ARG 22 HD3 ARG 22 10.148 19.345 14.793 184 HD3 ARG 22 HD2 ARG 22 10.821 19.512 16.412 185 HE ARG 22 HE ARG 22 9.418 17.061 16.244 186 HH11 ARG 22 HH11 ARG 22 12.342 18.567 15.031 187 HH12 ARG 22 HH12 ARG 22 13.186 17.064 14.867 188 HH21 ARG 22 HH21 ARG 22 10.551 15.131 16.015 189 HH22 ARG 22 HH22 ARG 22 12.178 15.134 15.420 190 H VAL 23 H VAL 23 6.377 19.304 17.614 191 HA VAL 23 HA VAL 23 4.794 18.508 15.443 192 HB VAL 23 HB VAL 23 4.909 17.670 18.345 193 HG11 VAL 23 HG11 VAL 23 3.327 16.458 16.070 194 HG12 VAL 23 HG12 VAL 23 2.714 17.007 17.631 195 HG13 VAL 23 HG13 VAL 23 3.741 15.576 17.541 196 HG21 VAL 23 HG21 VAL 23 6.878 17.304 16.809 197 HG22 VAL 23 HG22 VAL 23 5.842 16.289 15.817 198 HG23 VAL 23 HG23 VAL 23 6.202 15.820 17.476 199 H LEU 24 H LEU 24 3.881 20.040 18.512 200 HA LEU 24 HA LEU 24 1.091 20.154 17.924 201 HB2 LEU 24 HB3 LEU 24 2.818 21.623 19.924 202 HB3 LEU 24 HB2 LEU 24 1.062 21.778 19.856 203 HG LEU 24 HG LEU 24 2.462 19.102 20.124 204 HD11 LEU 24 HD11 LEU 24 1.744 19.304 22.552 205 HD12 LEU 24 HD12 LEU 24 1.457 21.017 22.240 206 HD13 LEU 24 HD13 LEU 24 3.080 20.348 22.068 207 HD21 LEU 24 HD21 LEU 24 0.133 18.569 21.133 208 HD22 LEU 24 HD22 LEU 24 0.227 18.781 19.386 209 HD23 LEU 24 HD23 LEU 24 -0.389 20.087 20.397 210 H ARG 25 H ARG 25 3.806 22.370 17.496 211 HA ARG 25 HA ARG 25 2.321 24.677 16.906 212 HB2 ARG 25 HB3 ARG 25 4.714 24.674 17.524 213 HB3 ARG 25 HB2 ARG 25 5.102 23.965 15.957 214 HG2 ARG 25 HG3 ARG 25 4.188 25.930 14.809 215 HG3 ARG 25 HG2 ARG 25 3.700 26.630 16.352 216 HD2 ARG 25 HD3 ARG 25 6.061 26.697 17.069 217 HD3 ARG 25 HD2 ARG 25 6.549 26.002 15.524 218 HE ARG 25 HE ARG 25 5.034 28.297 14.975 219 HH11 ARG 25 HH11 ARG 25 8.094 27.495 16.485 220 HH12 ARG 25 HH12 ARG 25 8.824 29.010 16.073 221 HH21 ARG 25 HH21 ARG 25 6.022 30.249 14.460 222 HH22 ARG 25 HH22 ARG 25 7.659 30.556 14.937 223 H GLU 26 H GLU 26 3.828 22.332 14.635 224 HA GLU 26 HA GLU 26 1.936 23.292 12.574 225 HB2 GLU 26 HB3 GLU 26 3.772 23.201 10.902 226 HB3 GLU 26 HB2 GLU 26 4.028 24.422 12.145 227 HG2 GLU 26 HG3 GLU 26 5.499 22.832 13.373 228 HG3 GLU 26 HG2 GLU 26 5.283 21.659 12.074 229 H ALA 27 H ALA 27 2.213 20.685 14.242 230 HA ALA 27 HA ALA 27 1.898 18.415 13.863 231 HB1 ALA 27 HB1 ALA 27 1.073 18.023 11.318 232 HB2 ALA 27 HB2 ALA 27 0.758 19.751 11.461 233 HB3 ALA 27 HB3 ALA 27 0.008 18.622 12.583 234 H GLY 28 H GLY 28 4.452 19.234 13.778 235 HA2 GLY 28 HA3 GLY 28 5.983 18.781 11.504 236 HA3 GLY 28 HA2 GLY 28 6.561 18.621 13.150 237 H THR 29 H THR 29 5.041 16.432 14.053 238 HA THR 29 HA THR 29 4.971 14.214 12.309 239 HB THR 29 HB THR 29 7.408 14.512 12.137 240 HG1 THR 29 HG1 THR 29 7.075 12.293 13.816 241 HG21 THR 29 HG21 THR 29 7.903 15.635 14.218 242 HG22 THR 29 HG22 THR 29 8.810 14.123 14.189 243 HG23 THR 29 HG23 THR 29 7.339 14.250 15.154 244 H GLU 30 H GLU 30 5.298 12.064 13.686 245 HA GLU 30 HA GLU 30 4.417 12.407 16.456 246 HB2 GLU 30 HB3 GLU 30 2.567 10.738 16.114 247 HB3 GLU 30 HB2 GLU 30 2.289 12.280 15.310 248 HG2 GLU 30 HG3 GLU 30 3.093 11.306 13.178 249 HG3 GLU 30 HG2 GLU 30 3.350 9.762 13.981 250 H ALA 31 H ALA 31 6.827 11.719 16.191 251 HA ALA 31 HA ALA 31 7.116 8.814 15.875 252 HB1 ALA 31 HB1 ALA 31 9.449 9.184 15.712 253 HB2 ALA 31 HB2 ALA 31 9.316 10.807 16.389 254 HB3 ALA 31 HB3 ALA 31 8.696 10.472 14.772 255 HA PRO 32 HA PRO 32 7.024 8.617 20.420 256 HB2 PRO 32 HB3 PRO 32 7.039 5.913 20.631 257 HB3 PRO 32 HB2 PRO 32 5.590 6.822 20.153 258 HG2 PRO 32 HG3 PRO 32 7.572 5.416 18.410 259 HG3 PRO 32 HG2 PRO 32 5.804 5.354 18.365 260 HD2 PRO 32 HD3 PRO 32 7.199 6.903 16.688 261 HD3 PRO 32 HD2 PRO 32 5.616 7.402 17.332 262 H HIS 33 H HIS 33 8.363 6.929 21.954 263 HA HIS 33 HA HIS 33 10.405 6.418 22.850 264 HB2 HIS 33 HB3 HIS 33 11.114 6.030 19.933 265 HB3 HIS 33 HB2 HIS 33 12.151 5.561 21.280 266 HD1 HIS 33 HD1 HIS 33 11.393 3.548 22.738 267 HD2 HIS 33 HD2 HIS 33 8.791 4.419 19.604 268 HE1 HIS 33 HE1 HIS 33 9.795 1.590 22.570 269 HE2 HIS 33 HE2 HIS 33 8.204 2.102 20.658 270 H THR 34 H THR 34 9.774 9.143 22.460 271 HA THR 34 HA THR 34 12.444 10.336 21.980 272 HB THR 34 HB THR 34 11.229 12.452 21.508 273 HG1 THR 34 HG1 THR 34 9.334 11.872 22.686 274 HG21 THR 34 HG21 THR 34 10.581 11.860 19.287 275 HG22 THR 34 HG22 THR 34 10.181 10.212 19.771 276 HG23 THR 34 HG23 THR 34 11.864 10.734 19.733 277 H GLY 35 H GLY 35 11.107 9.154 24.482 278 HA2 GLY 35 HA3 GLY 35 12.098 11.053 26.354 279 HA3 GLY 35 HA2 GLY 35 10.332 10.993 26.360 280 H GLU 36 H GLU 36 12.274 10.111 28.398 281 HA GLU 36 HA GLU 36 12.195 7.228 28.395 282 HB2 GLU 36 HB3 GLU 36 13.446 7.423 30.446 283 HB3 GLU 36 HB2 GLU 36 14.048 8.577 29.255 284 HG2 GLU 36 HG3 GLU 36 12.745 10.380 30.318 285 HG3 GLU 36 HG2 GLU 36 12.149 9.239 31.520 286 H TYR 37 H TYR 37 10.243 9.778 29.666 287 HA TYR 37 HA TYR 37 8.862 8.140 31.620 288 HB2 TYR 37 HB3 TYR 37 8.347 10.928 30.574 289 HB3 TYR 37 HB2 TYR 37 7.383 10.155 31.833 290 HD1 TYR 37 HD1 TYR 37 10.639 11.632 30.992 291 HD2 TYR 37 HD2 TYR 37 8.350 9.647 34.035 292 HE1 TYR 37 HE1 TYR 37 12.326 12.286 32.687 293 HE2 TYR 37 HE2 TYR 37 10.037 10.301 35.732 294 HH TYR 37 HH TYR 37 12.557 12.572 35.033 295 H THR 38 H THR 38 8.615 8.480 28.251 296 HA THR 38 HA THR 38 5.892 8.478 27.714 297 HB THR 38 HB THR 38 7.605 8.616 25.963 298 HG1 THR 38 HG1 THR 38 6.594 7.008 24.560 299 HG21 THR 38 HG21 THR 38 8.987 6.822 25.326 300 HG22 THR 38 HG22 THR 38 7.996 5.636 26.173 301 HG23 THR 38 HG23 THR 38 9.022 6.741 27.088 302 H ASN 39 H ASN 39 7.784 5.980 29.195 303 HA ASN 39 HA ASN 39 6.246 3.706 28.558 304 HB2 ASN 39 HB3 ASN 39 8.504 3.676 29.629 305 HB3 ASN 39 HB2 ASN 39 7.756 4.230 31.126 306 HD21 ASN 39 HD21 ASN 39 8.627 1.436 29.412 307 HD22 ASN 39 HD22 ASN 39 7.653 0.324 30.247 308 H THR 40 H THR 40 4.312 3.025 29.201 309 HA THR 40 HA THR 40 3.084 4.221 31.612 310 HB THR 40 HB THR 40 0.908 4.223 30.448 311 HG1 THR 40 HG1 THR 40 1.100 2.737 28.889 312 HG21 THR 40 HG21 THR 40 3.120 5.736 29.037 313 HG22 THR 40 HG22 THR 40 2.197 6.287 30.432 314 HG23 THR 40 HG23 THR 40 1.403 6.093 28.869 315 H THR 41 H THR 41 1.453 2.898 32.618 316 HA THR 41 HA THR 41 1.518 0.042 31.882 317 HB THR 41 HB THR 41 1.765 1.028 34.730 318 HG1 THR 41 HG1 THR 41 3.609 1.524 33.409 319 HG21 THR 41 HG21 THR 41 2.211 -1.685 33.451 320 HG22 THR 41 HG22 THR 41 0.787 -1.225 34.383 321 HG23 THR 41 HG23 THR 41 2.364 -1.309 35.168 322 H THR 42 H THR 42 0.043 2.454 34.048 323 HA THR 42 HA THR 42 -2.373 0.980 34.440 324 HB THR 42 HB THR 42 -1.956 3.950 34.833 325 HG1 THR 42 HG1 THR 42 -0.368 2.581 35.871 326 HG21 THR 42 HG21 THR 42 -4.291 2.908 34.958 327 HG22 THR 42 HG22 THR 42 -3.757 3.784 36.392 328 HG23 THR 42 HG23 THR 42 -3.707 2.024 36.368 329 H GLU 43 H GLU 43 -4.349 1.198 33.477 330 HA GLU 43 HA GLU 43 -4.417 2.673 30.921 331 HB2 GLU 43 HB3 GLU 43 -5.964 0.261 31.907 332 HB3 GLU 43 HB2 GLU 43 -6.355 1.126 30.419 333 HG2 GLU 43 HG3 GLU 43 -4.183 0.634 29.483 334 HG3 GLU 43 HG2 GLU 43 -3.622 -0.041 31.007 335 H GLY 44 H GLY 44 -5.175 4.659 31.461 336 HA2 GLY 44 HA3 GLY 44 -7.801 4.757 32.812 337 HA3 GLY 44 HA2 GLY 44 -6.503 5.841 33.278 338 H ILE 45 H ILE 45 -6.161 7.667 32.186 339 HA ILE 45 HA ILE 45 -7.801 8.157 29.770 340 HB ILE 45 HB ILE 45 -7.319 10.019 32.113 341 HG12 ILE 45 HG13 ILE 45 -10.014 8.998 31.188 342 HG13 ILE 45 HG12 ILE 45 -9.030 8.003 32.257 343 HG21 ILE 45 HG21 ILE 45 -8.744 11.599 30.959 344 HG22 ILE 45 HG22 ILE 45 -9.081 10.439 29.676 345 HG23 ILE 45 HG23 ILE 45 -7.462 11.128 29.840 346 HD11 ILE 45 HD11 ILE 45 -9.062 9.604 33.983 347 HD12 ILE 45 HD12 ILE 45 -10.713 9.618 33.358 348 HD13 ILE 45 HD13 ILE 45 -9.588 10.898 32.901 349 H TYR 46 H TYR 46 -6.833 9.148 28.124 350 HA TYR 46 HA TYR 46 -3.992 9.555 28.142 351 HB2 TYR 46 HB3 TYR 46 -6.129 10.174 26.094 352 HB3 TYR 46 HB2 TYR 46 -4.408 10.389 25.803 353 HD1 TYR 46 HD1 TYR 46 -7.131 7.995 26.114 354 HD2 TYR 46 HD2 TYR 46 -2.884 8.443 25.804 355 HE1 TYR 46 HE1 TYR 46 -6.921 5.581 25.557 356 HE2 TYR 46 HE2 TYR 46 -2.660 6.036 25.242 357 HH TYR 46 HH TYR 46 -3.962 4.222 24.397 358 H SER 47 H SER 47 -2.879 11.522 28.199 359 HA SER 47 HA SER 47 -4.508 13.943 28.344 360 HB2 SER 47 HB3 SER 47 -3.278 14.760 30.306 361 HB3 SER 47 HB2 SER 47 -4.191 13.297 30.653 362 HG SER 47 HG SER 47 -1.901 13.411 31.363 363 H CYS 48 H CYS 48 -3.808 15.493 27.153 364 HA CYS 48 HA CYS 48 -1.630 15.446 25.434 365 HB2 CYS 48 HB3 CYS 48 -3.774 17.124 25.899 366 HB3 CYS 48 HB2 CYS 48 -2.427 18.139 26.366 367 H ARG 49 H ARG 49 0.504 15.868 25.687 368 HA ARG 49 HA ARG 49 1.664 16.199 28.250 369 HB2 ARG 49 HB3 ARG 49 2.876 15.214 26.315 370 HB3 ARG 49 HB2 ARG 49 2.884 16.790 25.532 371 HG2 ARG 49 HG3 ARG 49 5.030 16.537 26.590 372 HG3 ARG 49 HG2 ARG 49 4.117 17.683 27.569 373 HD2 ARG 49 HD3 ARG 49 3.517 15.876 29.137 374 HD3 ARG 49 HD2 ARG 49 4.399 14.716 28.150 375 HE ARG 49 HE ARG 49 5.540 16.694 29.954 376 HH11 ARG 49 HH11 ARG 49 6.140 14.509 27.280 377 HH12 ARG 49 HH12 ARG 49 7.845 14.437 27.572 378 HH21 ARG 49 HH21 ARG 49 7.759 16.572 30.297 379 HH22 ARG 49 HH22 ARG 49 8.753 15.597 29.267 380 H ALA 50 H ALA 50 0.761 18.415 25.699 381 HA ALA 50 HA ALA 50 1.993 20.776 26.580 382 HB1 ALA 50 HB1 ALA 50 1.134 20.618 24.358 383 HB2 ALA 50 HB2 ALA 50 0.188 21.857 25.185 384 HB3 ALA 50 HB3 ALA 50 -0.489 20.243 24.957 385 H CYS 51 H CYS 51 -1.364 19.678 27.087 386 HA CYS 51 HA CYS 51 -1.631 21.731 29.206 387 HB2 CYS 51 HB3 CYS 51 -4.185 21.377 28.589 388 HB3 CYS 51 HB2 CYS 51 -3.168 22.482 27.673 389 H GLY 52 H GLY 52 -2.460 18.435 28.274 390 HA2 GLY 52 HA3 GLY 52 -2.464 16.623 29.822 391 HA3 GLY 52 HA2 GLY 52 -2.795 17.762 31.120 392 H THR 53 H THR 53 -4.636 18.302 28.289 393 HA THR 53 HA THR 53 -7.128 17.895 29.566 394 HB THR 53 HB THR 53 -7.599 17.668 26.799 395 HG1 THR 53 HG1 THR 53 -5.300 18.031 26.631 396 HG21 THR 53 HG21 THR 53 -8.463 19.854 26.955 397 HG22 THR 53 HG22 THR 53 -7.274 20.330 28.167 398 HG23 THR 53 HG23 THR 53 -8.591 19.241 28.603 399 H GLU 54 H GLU 54 -8.769 16.287 29.202 400 HA GLU 54 HA GLU 54 -7.690 13.623 28.921 401 HB2 GLU 54 HB3 GLU 54 -10.540 14.584 29.278 402 HB3 GLU 54 HB2 GLU 54 -10.018 12.907 29.368 403 HG2 GLU 54 HG3 GLU 54 -8.445 13.676 31.240 404 HG3 GLU 54 HG2 GLU 54 -9.373 15.171 31.218 405 H LEU 55 H LEU 55 -6.925 14.306 26.706 406 HA LEU 55 HA LEU 55 -8.541 14.799 24.496 407 HB2 LEU 55 HB3 LEU 55 -5.851 13.606 24.990 408 HB3 LEU 55 HB2 LEU 55 -6.550 13.323 23.407 409 HG LEU 55 HG LEU 55 -6.662 15.688 22.939 410 HD11 LEU 55 HD11 LEU 55 -5.674 17.294 24.768 411 HD12 LEU 55 HD12 LEU 55 -6.104 16.003 25.877 412 HD13 LEU 55 HD13 LEU 55 -7.353 16.776 24.911 413 HD21 LEU 55 HD21 LEU 55 -4.357 16.228 22.903 414 HD22 LEU 55 HD22 LEU 55 -4.399 14.464 22.897 415 HD23 LEU 55 HD23 LEU 55 -4.042 15.338 24.391 416 H PHE 56 H PHE 56 -7.546 11.700 25.888 417 HA PHE 56 HA PHE 56 -9.825 10.396 24.595 418 HB2 PHE 56 HB3 PHE 56 -6.953 9.483 24.343 419 HB3 PHE 56 HB2 PHE 56 -8.331 8.456 23.978 420 HD1 PHE 56 HD1 PHE 56 -6.348 11.356 22.922 421 HD2 PHE 56 HD2 PHE 56 -9.813 8.965 22.074 422 HE1 PHE 56 HE1 PHE 56 -6.494 12.369 20.663 423 HE2 PHE 56 HE2 PHE 56 -9.961 9.979 19.815 424 HZ PHE 56 HZ PHE 56 -8.301 11.681 19.110 425 H ARG 57 H ARG 57 -10.199 8.187 25.484 426 HA ARG 57 HA ARG 57 -9.277 7.950 28.274 427 HB2 ARG 57 HB3 ARG 57 -11.549 7.155 28.859 428 HB3 ARG 57 HB2 ARG 57 -11.559 8.816 28.274 429 HG2 ARG 57 HG3 ARG 57 -12.016 7.684 25.925 430 HG3 ARG 57 HG2 ARG 57 -12.545 6.321 26.894 431 HD2 ARG 57 HD3 ARG 57 -13.638 9.141 26.951 432 HD3 ARG 57 HD2 ARG 57 -14.467 7.701 26.386 433 HE ARG 57 HE ARG 57 -13.731 7.356 29.100 434 HH11 ARG 57 HH11 ARG 57 -15.955 9.222 27.139 435 HH12 ARG 57 HH12 ARG 57 -17.129 9.368 28.405 436 HH21 ARG 57 HH21 ARG 57 -15.289 7.552 30.709 437 HH22 ARG 57 HH22 ARG 57 -16.753 8.429 30.410 438 H SER 58 H SER 58 -9.296 5.774 29.096 439 HA SER 58 HA SER 58 -8.550 3.847 27.041 440 HB2 SER 58 HB3 SER 58 -8.318 3.731 30.049 441 HB3 SER 58 HB2 SER 58 -7.701 2.513 28.937 442 HG SER 58 HG SER 58 -6.254 4.320 29.690 443 H THR 59 H THR 59 -11.467 4.618 28.267 444 HA THR 59 HA THR 59 -12.364 1.929 28.958 445 HB THR 59 HB THR 59 -13.340 3.764 30.196 446 HG1 THR 59 HG1 THR 59 -15.154 2.615 28.347 447 HG21 THR 59 HG21 THR 59 -14.910 5.332 28.928 448 HG22 THR 59 HG22 THR 59 -14.117 4.772 27.454 449 HG23 THR 59 HG23 THR 59 -13.182 5.599 28.698 450 H GLU 60 H GLU 60 -12.404 4.025 26.151 451 HA GLU 60 HA GLU 60 -14.283 2.269 24.762 452 HB2 GLU 60 HB3 GLU 60 -13.779 5.019 24.606 453 HB3 GLU 60 HB2 GLU 60 -13.051 4.393 23.129 454 HG2 GLU 60 HG3 GLU 60 -15.356 4.941 22.652 455 HG3 GLU 60 HG2 GLU 60 -15.207 3.185 22.657 456 H LYS 61 H LYS 61 -10.886 3.268 24.636 457 HA LYS 61 HA LYS 61 -10.206 0.812 23.237 458 HB2 LYS 61 HB3 LYS 61 -10.306 3.398 21.948 459 HB3 LYS 61 HB2 LYS 61 -8.781 2.558 21.730 460 HG2 LYS 61 HG3 LYS 61 -11.385 1.063 21.330 461 HG3 LYS 61 HG2 LYS 61 -10.735 2.049 20.030 462 HD2 LYS 61 HD3 LYS 61 -8.625 0.792 20.108 463 HD3 LYS 61 HD2 LYS 61 -9.229 -0.162 21.461 464 HE2 LYS 61 HE3 LYS 61 -9.540 -1.484 19.478 465 HE3 LYS 61 HE2 LYS 61 -11.131 -0.902 19.964 466 HZ1 LYS 61 HZ1 LYS 61 -10.668 1.020 18.388 467 HZ2 LYS 61 HZ2 LYS 61 -11.018 -0.488 17.690 468 HZ3 LYS 61 HZ3 LYS 61 -9.414 0.066 17.763 469 H PHE 62 H PHE 62 -7.639 1.177 22.591 470 HA PHE 62 HA PHE 62 -5.981 2.553 24.392 471 HB2 PHE 62 HB3 PHE 62 -7.064 0.973 26.052 472 HB3 PHE 62 HB2 PHE 62 -6.287 -0.351 25.187 473 HD1 PHE 62 HD1 PHE 62 -5.585 2.870 26.949 474 HD2 PHE 62 HD2 PHE 62 -4.017 -0.899 25.610 475 HE1 PHE 62 HE1 PHE 62 -3.480 3.305 28.185 476 HE2 PHE 62 HE2 PHE 62 -1.913 -0.463 26.848 477 HZ PHE 62 HZ PHE 62 -1.644 1.639 28.135 478 H ASN 63 H ASN 63 -6.250 -0.681 22.882 479 HA ASN 63 HA ASN 63 -3.890 -0.109 21.241 480 HB2 ASN 63 HB3 ASN 63 -3.091 -1.190 23.357 481 HB3 ASN 63 HB2 ASN 63 -4.066 -2.598 22.948 482 HD21 ASN 63 HD21 ASN 63 -1.032 -2.246 23.102 483 HD22 ASN 63 HD22 ASN 63 -0.469 -2.784 21.595 484 H SER 64 H SER 64 -4.101 -0.893 19.228 485 HA SER 64 HA SER 64 -6.420 -2.587 18.641 486 HB2 SER 64 HB3 SER 64 -4.590 -1.001 16.827 487 HB3 SER 64 HB2 SER 64 -5.959 -1.962 16.276 488 HG SER 64 HG SER 64 -7.326 -0.574 17.206 489 H HIS 65 H HIS 65 -3.071 -2.412 17.336 490 HA HIS 65 HA HIS 65 -2.378 -5.076 17.986 491 HB2 HIS 65 HB3 HIS 65 -4.200 -5.477 16.250 492 HB3 HIS 65 HB2 HIS 65 -3.108 -4.758 15.069 493 HD1 HIS 65 HD1 HIS 65 -0.768 -6.006 14.722 494 HD2 HIS 65 HD2 HIS 65 -3.608 -8.128 16.916 495 HE1 HIS 65 HE1 HIS 65 0.025 -8.411 14.786 496 HE2 HIS 65 HE2 HIS 65 -1.696 -9.717 16.120 497 H CYS 66 H CYS 66 -1.989 -3.009 15.095 498 HA CYS 66 HA CYS 66 0.904 -3.374 15.176 499 HB2 CYS 66 HB3 CYS 66 -0.916 -1.973 13.206 500 HB3 CYS 66 HB2 CYS 66 0.832 -2.109 13.023 501 HG CYS 66 HG CYS 66 -0.210 -4.147 11.775 502 H GLY 67 H GLY 67 2.092 -1.210 14.388 503 HA2 GLY 67 HA3 GLY 67 2.242 0.505 16.599 504 HA3 GLY 67 HA2 GLY 67 2.911 0.852 15.006 505 H TRP 68 H TRP 68 1.803 2.868 16.614 506 HA TRP 68 HA TRP 68 0.251 4.566 16.631 507 HB2 TRP 68 HB3 TRP 68 -0.017 3.674 13.743 508 HB3 TRP 68 HB2 TRP 68 -0.710 5.159 14.394 509 HD1 TRP 68 HD1 TRP 68 0.874 7.174 14.825 510 HE1 TRP 68 HE1 TRP 68 3.355 7.632 14.295 511 HE3 TRP 68 HE3 TRP 68 2.387 2.465 13.552 512 HZ2 TRP 68 HZ2 TRP 68 5.675 6.190 13.447 513 HZ3 TRP 68 HZ3 TRP 68 4.736 2.036 12.890 514 HH2 TRP 68 HH2 TRP 68 6.380 3.891 12.835 515 HA PRO 69 HA PRO 69 -3.032 1.131 17.201 516 HB2 PRO 69 HB3 PRO 69 -3.178 2.551 19.830 517 HB3 PRO 69 HB2 PRO 69 -3.258 0.815 19.477 518 HG2 PRO 69 HG3 PRO 69 -1.072 1.842 20.503 519 HG3 PRO 69 HG2 PRO 69 -0.964 0.633 19.210 520 HD2 PRO 69 HD3 PRO 69 -0.606 3.612 19.035 521 HD3 PRO 69 HD2 PRO 69 0.311 2.315 18.237 522 H SER 70 H SER 70 -5.150 1.412 16.799 523 HA SER 70 HA SER 70 -6.176 4.142 16.545 524 HB2 SER 70 HB3 SER 70 -6.553 2.733 14.623 525 HB3 SER 70 HB2 SER 70 -7.244 1.462 15.630 526 HG SER 70 HG SER 70 -9.056 2.457 15.247 527 H PHE 71 H PHE 71 -7.994 4.886 17.645 528 HA PHE 71 HA PHE 71 -9.011 3.131 19.808 529 HB2 PHE 71 HB3 PHE 71 -8.648 6.117 20.063 530 HB3 PHE 71 HB2 PHE 71 -9.091 4.996 21.326 531 HD1 PHE 71 HD1 PHE 71 -6.357 6.088 19.078 532 HD2 PHE 71 HD2 PHE 71 -7.406 3.766 22.535 533 HE1 PHE 71 HE1 PHE 71 -3.955 5.840 19.636 534 HE2 PHE 71 HE2 PHE 71 -5.002 3.522 23.088 535 HZ PHE 71 HZ PHE 71 -3.278 4.552 21.643 536 H PHE 72 H PHE 72 -11.182 4.023 20.646 537 HA PHE 72 HA PHE 72 -12.883 4.639 18.383 538 HB2 PHE 72 HB3 PHE 72 -13.556 3.849 21.225 539 HB3 PHE 72 HB2 PHE 72 -14.749 4.152 19.981 540 HD1 PHE 72 HD1 PHE 72 -14.114 1.560 21.632 541 HD2 PHE 72 HD2 PHE 72 -13.105 2.821 17.644 542 HE1 PHE 72 HE1 PHE 72 -13.960 -0.805 20.915 543 HE2 PHE 72 HE2 PHE 72 -12.947 0.452 16.938 544 HZ PHE 72 HZ PHE 72 -13.377 -1.360 18.572 545 H SER 73 H SER 73 -14.954 5.979 19.839 546 HA SER 73 HA SER 73 -14.367 8.621 19.365 547 HB2 SER 73 HB3 SER 73 -16.631 7.644 19.676 548 HB3 SER 73 HB2 SER 73 -16.335 7.606 21.406 549 HG SER 73 HG SER 73 -16.094 9.850 21.362 550 HA PRO 74 HA PRO 74 -11.881 9.879 22.895 551 HB2 PRO 74 HB3 PRO 74 -12.102 12.576 22.706 552 HB3 PRO 74 HB2 PRO 74 -11.156 11.624 21.545 553 HG2 PRO 74 HG3 PRO 74 -13.927 12.701 21.286 554 HG3 PRO 74 HG2 PRO 74 -12.599 12.726 20.110 555 HD2 PRO 74 HD3 PRO 74 -14.610 10.903 19.996 556 HD3 PRO 74 HD2 PRO 74 -12.955 10.532 19.471 557 H LEU 75 H LEU 75 -12.211 11.912 24.618 558 HA LEU 75 HA LEU 75 -13.958 11.157 26.580 559 HB2 LEU 75 HB3 LEU 75 -12.477 13.596 25.859 560 HB3 LEU 75 HB2 LEU 75 -13.908 13.935 26.820 561 HG LEU 75 HG LEU 75 -11.770 13.622 28.071 562 HD11 LEU 75 HD11 LEU 75 -14.171 13.265 28.962 563 HD12 LEU 75 HD12 LEU 75 -12.779 12.818 29.951 564 HD13 LEU 75 HD13 LEU 75 -13.678 11.572 29.071 565 HD21 LEU 75 HD21 LEU 75 -12.117 10.699 27.377 566 HD22 LEU 75 HD22 LEU 75 -10.994 11.325 28.579 567 HD23 LEU 75 HD23 LEU 75 -10.780 11.733 26.880 568 H ALA 76 H ALA 76 -14.634 13.940 24.431 569 HA ALA 76 HA ALA 76 -17.326 13.113 23.893 570 HB1 ALA 76 HB1 ALA 76 -16.813 15.102 26.071 571 HB2 ALA 76 HB2 ALA 76 -17.989 13.790 26.008 572 HB3 ALA 76 HB3 ALA 76 -18.256 15.258 25.069 573 H GLY 77 H GLY 77 -14.717 14.504 22.790 574 HA2 GLY 77 HA3 GLY 77 -14.367 15.745 20.857 575 HA3 GLY 77 HA2 GLY 77 -16.094 16.071 20.786 576 H ASP 78 H ASP 78 -15.077 16.831 23.871 577 HA ASP 78 HA ASP 78 -15.091 19.686 23.286 578 HB2 ASP 78 HB3 ASP 78 -15.085 18.183 25.906 579 HB3 ASP 78 HB2 ASP 78 -15.234 19.924 25.719 580 H LYS 79 H LYS 79 -12.928 17.157 24.314 581 HA LYS 79 HA LYS 79 -10.839 19.045 25.082 582 HB2 LYS 79 HB3 LYS 79 -10.356 16.082 24.866 583 HB3 LYS 79 HB2 LYS 79 -9.638 17.250 25.971 584 HG2 LYS 79 HG3 LYS 79 -12.538 16.340 26.093 585 HG3 LYS 79 HG2 LYS 79 -11.253 15.698 27.102 586 HD2 LYS 79 HD3 LYS 79 -10.887 17.881 28.115 587 HD3 LYS 79 HD2 LYS 79 -12.076 18.612 27.032 588 HE2 LYS 79 HE3 LYS 79 -13.841 17.203 27.971 589 HE3 LYS 79 HE2 LYS 79 -12.675 16.396 29.015 590 HZ1 LYS 79 HZ1 LYS 79 -14.096 18.426 29.849 591 HZ2 LYS 79 HZ2 LYS 79 -12.845 19.319 29.126 592 HZ3 LYS 79 HZ3 LYS 79 -12.495 18.208 30.363 593 H VAL 80 H VAL 80 -11.899 17.300 22.331 594 HA VAL 80 HA VAL 80 -9.492 18.122 20.834 595 HB VAL 80 HB VAL 80 -9.538 15.983 19.573 596 HG11 VAL 80 HG11 VAL 80 -7.951 16.106 21.355 597 HG12 VAL 80 HG12 VAL 80 -8.727 14.528 21.493 598 HG13 VAL 80 HG13 VAL 80 -9.198 15.840 22.574 599 HG21 VAL 80 HG21 VAL 80 -10.893 14.128 20.265 600 HG22 VAL 80 HG22 VAL 80 -11.985 15.506 20.137 601 HG23 VAL 80 HG23 VAL 80 -11.423 14.972 21.721 602 H ILE 81 H ILE 81 -9.848 18.616 18.637 603 HA ILE 81 HA ILE 81 -12.696 18.743 17.829 604 HB ILE 81 HB ILE 81 -10.550 20.823 17.845 605 HG12 ILE 81 HG13 ILE 81 -12.480 22.325 18.198 606 HG13 ILE 81 HG12 ILE 81 -13.584 20.985 17.916 607 HG21 ILE 81 HG21 ILE 81 -10.865 20.559 15.413 608 HG22 ILE 81 HG22 ILE 81 -11.529 22.096 15.974 609 HG23 ILE 81 HG23 ILE 81 -12.608 20.747 15.615 610 HD11 ILE 81 HD11 ILE 81 -12.841 21.719 20.391 611 HD12 ILE 81 HD12 ILE 81 -11.512 20.614 20.041 612 HD13 ILE 81 HD13 ILE 81 -13.177 20.036 19.979 613 H GLU 82 H GLU 82 -13.253 17.993 15.906 614 HA GLU 82 HA GLU 82 -11.146 16.822 14.196 615 HB2 GLU 82 HB3 GLU 82 -14.040 15.976 14.129 616 HB3 GLU 82 HB2 GLU 82 -12.619 15.074 13.620 617 HG2 GLU 82 HG3 GLU 82 -11.931 15.094 16.113 618 HG3 GLU 82 HG2 GLU 82 -13.577 15.620 16.436 619 H ARG 83 H ARG 83 -10.880 17.752 12.258 620 HA ARG 83 HA ARG 83 -13.191 19.005 10.912 621 HB2 ARG 83 HB3 ARG 83 -10.454 20.259 11.257 622 HB3 ARG 83 HB2 ARG 83 -11.717 20.882 10.196 623 HG2 ARG 83 HG3 ARG 83 -13.214 21.200 12.101 624 HG3 ARG 83 HG2 ARG 83 -12.023 20.483 13.187 625 HD2 ARG 83 HD3 ARG 83 -11.868 22.899 13.361 626 HD3 ARG 83 HD2 ARG 83 -10.424 22.299 12.552 627 HE ARG 83 HE ARG 83 -12.416 22.968 10.633 628 HH11 ARG 83 HH11 ARG 83 -10.121 24.463 12.821 629 HH12 ARG 83 HH12 ARG 83 -9.969 25.898 11.862 630 HH21 ARG 83 HH21 ARG 83 -12.192 24.852 9.423 631 HH22 ARG 83 HH22 ARG 83 -11.133 26.114 9.955 632 H THR 84 H THR 84 -13.049 19.014 8.600 633 HA THR 84 HA THR 84 -11.443 16.838 7.565 634 HB THR 84 HB THR 84 -13.843 17.217 6.907 635 HG1 THR 84 HG1 THR 84 -12.234 16.027 5.674 636 HG21 THR 84 HG21 THR 84 -14.468 18.938 5.427 637 HG22 THR 84 HG22 THR 84 -12.793 19.300 5.004 638 HG23 THR 84 HG23 THR 84 -13.424 19.764 6.585 639 H ASP 85 H ASP 85 -9.961 16.945 5.859 640 HA ASP 85 HA ASP 85 -8.806 19.606 5.292 641 HB2 ASP 85 HB3 ASP 85 -7.463 18.443 7.012 642 HB3 ASP 85 HB2 ASP 85 -7.270 17.069 5.923 643 H THR 86 H THR 86 -8.972 19.937 3.166 644 HA THR 86 HA THR 86 -9.136 17.717 1.294 645 HB THR 86 HB THR 86 -9.182 20.659 0.601 646 HG1 THR 86 HG1 THR 86 -10.733 20.452 2.145 647 HG21 THR 86 HG21 THR 86 -9.050 18.848 -1.176 648 HG22 THR 86 HG22 THR 86 -10.433 19.934 -1.310 649 HG23 THR 86 HG23 THR 86 -10.643 18.317 -0.637 650 H SER 87 H SER 87 -6.926 17.133 1.935 651 HA SER 87 HA SER 87 -4.664 18.687 1.141 652 HB2 SER 87 HB3 SER 87 -3.395 16.613 1.431 653 HB3 SER 87 HB2 SER 87 -4.524 16.834 2.765 654 HG SER 87 HG SER 87 -4.329 14.746 1.262 655 H HIS 88 H HIS 88 -6.630 16.260 -0.457 656 HA HIS 88 HA HIS 88 -5.532 17.026 -3.067 657 HB2 HIS 88 HB3 HIS 88 -5.457 14.278 -1.818 658 HB3 HIS 88 HB2 HIS 88 -5.591 14.433 -3.564 659 HD1 HIS 88 HD1 HIS 88 -3.331 15.632 -0.735 660 HD2 HIS 88 HD2 HIS 88 -3.175 14.885 -4.833 661 HE1 HIS 88 HE1 HIS 88 -0.912 15.930 -1.426 662 HE2 HIS 88 HE2 HIS 88 -0.800 15.477 -3.922 663 H GLY 89 H GLY 89 -7.049 15.021 -4.520 664 HA2 GLY 89 HA3 GLY 89 -9.529 16.247 -4.803 665 HA3 GLY 89 HA2 GLY 89 -9.179 14.594 -5.304 666 H MET 90 H MET 90 -8.486 13.789 -2.538 667 HA MET 90 HA MET 90 -11.220 13.536 -1.463 668 HB2 MET 90 HB3 MET 90 -10.366 11.548 -0.264 669 HB3 MET 90 HB2 MET 90 -10.150 11.391 -2.004 670 HG2 MET 90 HG3 MET 90 -7.787 12.130 -1.759 671 HG3 MET 90 HG2 MET 90 -8.014 12.222 -0.013 672 HE1 MET 90 HE1 MET 90 -8.472 8.534 -2.646 673 HE2 MET 90 HE2 MET 90 -7.106 9.593 -2.987 674 HE3 MET 90 HE3 MET 90 -8.745 10.239 -3.032 675 H VAL 91 H VAL 91 -11.399 13.579 0.930 676 HA VAL 91 HA VAL 91 -9.453 15.489 2.077 677 HB VAL 91 HB VAL 91 -11.274 16.303 3.515 678 HG11 VAL 91 HG11 VAL 91 -11.144 17.611 1.587 679 HG12 VAL 91 HG12 VAL 91 -12.825 17.109 1.546 680 HG13 VAL 91 HG13 VAL 91 -11.636 16.298 0.525 681 HG21 VAL 91 HG21 VAL 91 -13.545 15.526 3.244 682 HG22 VAL 91 HG22 VAL 91 -12.521 14.126 3.560 683 HG23 VAL 91 HG23 VAL 91 -13.071 14.464 1.919 684 H ARG 92 H ARG 92 -9.156 15.388 4.423 685 HA ARG 92 HA ARG 92 -9.611 12.725 5.608 686 HB2 ARG 92 HB3 ARG 92 -6.959 14.190 5.548 687 HB3 ARG 92 HB2 ARG 92 -7.300 12.768 6.529 688 HG2 ARG 92 HG3 ARG 92 -7.749 11.443 4.528 689 HG3 ARG 92 HG2 ARG 92 -7.543 12.869 3.509 690 HD2 ARG 92 HD3 ARG 92 -5.391 11.707 5.299 691 HD3 ARG 92 HD2 ARG 92 -5.510 11.420 3.566 692 HE ARG 92 HE ARG 92 -5.503 14.189 3.921 693 HH11 ARG 92 HH11 ARG 92 -3.330 11.503 4.525 694 HH12 ARG 92 HH12 ARG 92 -1.903 12.471 4.352 695 HH21 ARG 92 HH21 ARG 92 -3.619 15.408 3.719 696 HH22 ARG 92 HH22 ARG 92 -2.068 14.660 3.899 697 H THR 93 H THR 93 -10.058 12.795 7.801 698 HA THR 93 HA THR 93 -10.643 15.425 8.866 699 HB THR 93 HB THR 93 -10.968 12.729 10.200 700 HG1 THR 93 HG1 THR 93 -12.328 12.541 8.589 701 HG21 THR 93 HG21 THR 93 -11.046 14.868 11.601 702 HG22 THR 93 HG22 THR 93 -12.477 13.841 11.677 703 HG23 THR 93 HG23 THR 93 -12.489 15.297 10.682 704 H GLU 94 H GLU 94 -9.020 16.575 9.645 705 HA GLU 94 HA GLU 94 -6.714 15.381 10.900 706 HB2 GLU 94 HB3 GLU 94 -7.581 18.249 10.484 707 HB3 GLU 94 HB2 GLU 94 -6.097 17.798 11.324 708 HG2 GLU 94 HG3 GLU 94 -5.254 16.668 9.351 709 HG3 GLU 94 HG2 GLU 94 -6.782 16.902 8.511 710 H VAL 95 H VAL 95 -6.292 15.296 13.038 711 HA VAL 95 HA VAL 95 -8.508 16.011 14.854 712 HB VAL 95 HB VAL 95 -6.289 13.965 15.179 713 HG11 VAL 95 HG11 VAL 95 -7.894 13.327 17.186 714 HG12 VAL 95 HG12 VAL 95 -8.393 15.013 17.067 715 HG13 VAL 95 HG13 VAL 95 -6.702 14.613 17.382 716 HG21 VAL 95 HG21 VAL 95 -7.995 12.316 14.868 717 HG22 VAL 95 HG22 VAL 95 -8.227 13.489 13.572 718 HG23 VAL 95 HG23 VAL 95 -9.278 13.519 14.987 719 H ILE 96 H ILE 96 -8.230 17.640 16.161 720 HA ILE 96 HA ILE 96 -5.501 18.442 16.963 721 HB ILE 96 HB ILE 96 -6.230 20.783 16.902 722 HG12 ILE 96 HG13 ILE 96 -8.666 19.929 15.320 723 HG13 ILE 96 HG12 ILE 96 -8.753 20.066 17.073 724 HG21 ILE 96 HG21 ILE 96 -5.141 19.600 14.933 725 HG22 ILE 96 HG22 ILE 96 -6.013 21.080 14.550 726 HG23 ILE 96 HG23 ILE 96 -6.744 19.507 14.209 727 HD11 ILE 96 HD11 ILE 96 -9.354 22.200 16.468 728 HD12 ILE 96 HD12 ILE 96 -8.330 22.203 15.033 729 HD13 ILE 96 HD13 ILE 96 -7.612 22.409 16.632 730 H CYS 97 H CYS 97 -5.417 19.595 18.975 731 HA CYS 97 HA CYS 97 -7.309 18.558 20.938 732 HB2 CYS 97 HB3 CYS 97 -4.863 18.676 21.309 733 HB3 CYS 97 HB2 CYS 97 -4.958 20.417 21.319 734 H ALA 98 H ALA 98 -8.909 19.712 21.888 735 HA ALA 98 HA ALA 98 -10.001 21.944 20.619 736 HB1 ALA 98 HB1 ALA 98 -11.216 20.330 22.096 737 HB2 ALA 98 HB2 ALA 98 -11.574 22.024 22.433 738 HB3 ALA 98 HB3 ALA 98 -10.480 21.128 23.488 739 H ASN 99 H ASN 99 -7.477 21.818 22.998 740 HA ASN 99 HA ASN 99 -7.784 24.699 23.576 741 HB2 ASN 99 HB3 ASN 99 -6.103 24.226 25.385 742 HB3 ASN 99 HB2 ASN 99 -7.641 23.400 25.543 743 HD21 ASN 99 HD21 ASN 99 -7.405 21.287 26.168 744 HD22 ASN 99 HD22 ASN 99 -6.128 20.272 25.704 745 H CYS 100 H CYS 100 -5.575 22.334 22.234 746 HA CYS 100 HA CYS 100 -3.918 24.571 21.225 747 HB2 CYS 100 HB3 CYS 100 -1.874 23.241 21.609 748 HB3 CYS 100 HB2 CYS 100 -2.714 23.626 23.105 749 H GLU 101 H GLU 101 -2.552 23.965 19.349 750 HA GLU 101 HA GLU 101 -4.199 22.566 17.442 751 HB2 GLU 101 HB3 GLU 101 -1.590 24.071 17.226 752 HB3 GLU 101 HB2 GLU 101 -2.291 23.212 15.855 753 HG2 GLU 101 HG3 GLU 101 -4.311 24.532 15.969 754 HG3 GLU 101 HG2 GLU 101 -3.801 25.275 17.482 755 H SER 102 H SER 102 -3.997 20.502 18.665 756 HA SER 102 HA SER 102 -1.517 19.022 18.295 757 HB2 SER 102 HB3 SER 102 -4.185 18.146 19.407 758 HB3 SER 102 HB2 SER 102 -2.727 17.166 19.383 759 HG SER 102 HG SER 102 -2.892 19.738 20.572 760 H HIS 103 H HIS 103 -2.193 19.848 15.926 761 HA HIS 103 HA HIS 103 -3.848 18.008 14.444 762 HB2 HIS 103 HB3 HIS 103 -2.690 19.169 12.430 763 HB3 HIS 103 HB2 HIS 103 -3.809 20.104 13.409 764 HD1 HIS 103 HD1 HIS 103 -2.676 22.357 12.872 765 HD2 HIS 103 HD2 HIS 103 -0.078 19.616 14.649 766 HE1 HIS 103 HE1 HIS 103 -0.612 23.657 13.548 767 HE2 HIS 103 HE2 HIS 103 0.977 22.004 14.634 768 H LEU 104 H LEU 104 -1.357 17.098 15.997 769 HA LEU 104 HA LEU 104 0.482 16.148 14.014 770 HB2 LEU 104 HB3 LEU 104 1.574 15.057 15.872 771 HB3 LEU 104 HB2 LEU 104 1.121 16.702 16.297 772 HG LEU 104 HG LEU 104 -1.114 15.402 17.181 773 HD11 LEU 104 HD11 LEU 104 -0.386 13.324 18.317 774 HD12 LEU 104 HD12 LEU 104 1.204 13.473 17.572 775 HD13 LEU 104 HD13 LEU 104 -0.214 13.184 16.568 776 HD21 LEU 104 HD21 LEU 104 -0.250 15.683 19.397 777 HD22 LEU 104 HD22 LEU 104 0.510 16.943 18.423 778 HD23 LEU 104 HD23 LEU 104 1.415 15.495 18.850 779 H GLY 105 H GLY 105 -2.594 15.042 15.079 780 HA2 GLY 105 HA3 GLY 105 -2.127 12.472 13.694 781 HA3 GLY 105 HA2 GLY 105 -2.951 12.504 15.243 782 H HIS 106 H HIS 106 -4.162 11.454 12.977 783 HA HIS 106 HA HIS 106 -6.370 13.366 12.586 784 HB2 HIS 106 HB3 HIS 106 -6.092 13.479 10.362 785 HB3 HIS 106 HB2 HIS 106 -4.526 12.735 10.599 786 HD1 HIS 106 HD1 HIS 106 -4.729 9.912 10.595 787 HD2 HIS 106 HD2 HIS 106 -7.642 12.136 8.608 788 HE1 HIS 106 HE1 HIS 106 -5.853 8.323 8.970 789 HE2 HIS 106 HE2 HIS 106 -7.637 9.661 7.753 790 H VAL 107 H VAL 107 -8.278 12.082 11.506 791 HA VAL 107 HA VAL 107 -8.504 9.426 12.757 792 HB VAL 107 HB VAL 107 -9.584 11.101 14.208 793 HG11 VAL 107 HG11 VAL 107 -11.572 11.628 12.008 794 HG12 VAL 107 HG12 VAL 107 -10.146 12.641 12.224 795 HG13 VAL 107 HG13 VAL 107 -11.338 12.514 13.516 796 HG21 VAL 107 HG21 VAL 107 -11.446 9.233 12.724 797 HG22 VAL 107 HG22 VAL 107 -11.882 10.062 14.219 798 HG23 VAL 107 HG23 VAL 107 -10.559 8.895 14.210 799 H PHE 108 H PHE 108 -9.392 7.902 11.493 800 HA PHE 108 HA PHE 108 -10.523 8.778 8.890 801 HB2 PHE 108 HB3 PHE 108 -8.329 7.602 8.738 802 HB3 PHE 108 HB2 PHE 108 -9.062 6.194 9.499 803 HD1 PHE 108 HD1 PHE 108 -9.181 8.401 6.510 804 HD2 PHE 108 HD2 PHE 108 -10.457 4.690 8.256 805 HE1 PHE 108 HE1 PHE 108 -10.026 7.654 4.303 806 HE2 PHE 108 HE2 PHE 108 -11.301 3.941 6.048 807 HZ PHE 108 HZ PHE 108 -11.086 5.423 4.070 808 H ALA 109 H ALA 109 -12.593 8.393 8.636 809 HA ALA 109 HA ALA 109 -14.005 6.537 10.389 810 HB1 ALA 109 HB1 ALA 109 -14.797 8.915 9.735 811 HB2 ALA 109 HB2 ALA 109 -15.982 7.609 9.713 812 HB3 ALA 109 HB3 ALA 109 -15.267 8.176 8.204 813 H GLY 110 H GLY 110 -15.788 5.204 9.290 814 HA2 GLY 110 HA3 GLY 110 -16.466 3.607 7.757 815 HA3 GLY 110 HA2 GLY 110 -15.365 4.325 6.591 816 H GLU 111 H GLU 111 -14.360 3.182 9.763 817 HA GLU 111 HA GLU 111 -12.290 1.539 8.665 818 HB2 GLU 111 HB3 GLU 111 -12.208 2.714 10.899 819 HB3 GLU 111 HB2 GLU 111 -13.343 1.506 11.502 820 HG2 GLU 111 HG3 GLU 111 -11.745 -0.287 10.861 821 HG3 GLU 111 HG2 GLU 111 -10.602 0.943 10.329 822 H GLY 112 H GLY 112 -15.578 0.950 9.731 823 HA2 GLY 112 HA3 GLY 112 -16.938 -0.899 9.467 824 HA3 GLY 112 HA2 GLY 112 -15.648 -1.648 8.532 825 H TYR 113 H TYR 113 -15.169 -0.451 11.795 826 HA TYR 113 HA TYR 113 -14.427 -3.129 12.675 827 HB2 TYR 113 HB3 TYR 113 -13.087 -0.972 13.126 828 HB3 TYR 113 HB2 TYR 113 -14.309 -0.622 14.346 829 HD1 TYR 113 HD1 TYR 113 -11.883 -3.240 13.239 830 HD2 TYR 113 HD2 TYR 113 -14.190 -1.637 16.490 831 HE1 TYR 113 HE1 TYR 113 -10.724 -4.765 14.815 832 HE2 TYR 113 HE2 TYR 113 -13.030 -3.163 18.064 833 HH TYR 113 HH TYR 113 -10.269 -4.574 17.555 834 H ASP 114 H ASP 114 -17.318 -1.951 12.342 835 HA ASP 114 HA ASP 114 -19.341 -2.237 13.329 836 HB2 ASP 114 HB3 ASP 114 -18.314 -4.591 13.445 837 HB3 ASP 114 HB2 ASP 114 -18.037 -4.251 15.151 838 H THR 115 H THR 115 -18.234 -0.008 14.221 839 HA THR 115 HA THR 115 -18.784 0.015 17.113 840 HB THR 115 HB THR 115 -17.243 2.218 16.859 841 HG1 THR 115 HG1 THR 115 -15.762 2.017 15.341 842 HG21 THR 115 HG21 THR 115 -15.768 1.125 18.191 843 HG22 THR 115 HG22 THR 115 -15.609 -0.239 17.084 844 HG23 THR 115 HG23 THR 115 -16.986 -0.149 18.185 845 HA PRO 116 HA PRO 116 -21.897 3.046 16.400 846 HB2 PRO 116 HB3 PRO 116 -21.487 4.845 18.450 847 HB3 PRO 116 HB2 PRO 116 -22.260 3.262 18.652 848 HG2 PRO 116 HG3 PRO 116 -19.447 4.077 19.216 849 HG3 PRO 116 HG2 PRO 116 -20.530 3.028 20.150 850 HD2 PRO 116 HD3 PRO 116 -18.576 2.034 18.565 851 HD3 PRO 116 HD2 PRO 116 -20.116 1.182 18.786 852 H THR 117 H THR 117 -18.593 4.209 16.694 853 HA THR 117 HA THR 117 -19.297 6.671 15.207 854 HB THR 117 HB THR 117 -17.125 7.544 15.951 855 HG1 THR 117 HG1 THR 117 -16.146 5.432 16.059 856 HG21 THR 117 HG21 THR 117 -18.233 6.451 18.489 857 HG22 THR 117 HG22 THR 117 -19.343 7.385 17.482 858 HG23 THR 117 HG23 THR 117 -17.845 8.114 18.056 859 H ASP 118 H ASP 118 -17.408 3.733 15.099 860 HA ASP 118 HA ASP 118 -16.084 2.781 13.476 861 HB2 ASP 118 HB3 ASP 118 -18.378 3.138 12.339 862 HB3 ASP 118 HB2 ASP 118 -17.598 4.470 11.492 863 H LEU 119 H LEU 119 -14.901 4.922 14.750 864 HA LEU 119 HA LEU 119 -13.525 6.437 12.621 865 HB2 LEU 119 HB3 LEU 119 -13.774 6.950 15.591 866 HB3 LEU 119 HB2 LEU 119 -12.777 7.907 14.504 867 HG LEU 119 HG LEU 119 -15.747 7.489 14.081 868 HD11 LEU 119 HD11 LEU 119 -14.388 9.930 15.247 869 HD12 LEU 119 HD12 LEU 119 -15.137 8.684 16.244 870 HD13 LEU 119 HD13 LEU 119 -16.120 9.622 15.119 871 HD21 LEU 119 HD21 LEU 119 -13.665 9.362 12.908 872 HD22 LEU 119 HD22 LEU 119 -15.400 9.604 12.700 873 HD23 LEU 119 HD23 LEU 119 -14.628 8.160 12.049 874 H ARG 120 H ARG 120 -11.272 6.550 12.556 875 HA ARG 120 HA ARG 120 -9.825 4.554 14.196 876 HB2 ARG 120 HB3 ARG 120 -10.283 3.852 11.791 877 HB3 ARG 120 HB2 ARG 120 -9.215 5.163 11.301 878 HG2 ARG 120 HG3 ARG 120 -7.390 4.187 12.646 879 HG3 ARG 120 HG2 ARG 120 -8.459 2.871 13.130 880 HD2 ARG 120 HD3 ARG 120 -8.749 2.274 10.724 881 HD3 ARG 120 HD2 ARG 120 -7.564 3.510 10.310 882 HE ARG 120 HE ARG 120 -6.413 1.812 12.235 883 HH11 ARG 120 HH11 ARG 120 -7.502 1.667 8.905 884 HH12 ARG 120 HH12 ARG 120 -6.383 0.417 8.474 885 HH21 ARG 120 HH21 ARG 120 -4.983 0.183 11.631 886 HH22 ARG 120 HH22 ARG 120 -4.970 -0.414 10.006 887 H TYR 121 H TYR 121 -9.410 6.518 15.533 888 HA TYR 121 HA TYR 121 -7.897 8.730 14.629 889 HB2 TYR 121 HB3 TYR 121 -8.058 7.480 17.383 890 HB3 TYR 121 HB2 TYR 121 -7.401 9.073 17.026 891 HD1 TYR 121 HD1 TYR 121 -10.454 7.039 17.247 892 HD2 TYR 121 HD2 TYR 121 -8.859 10.938 16.444 893 HE1 TYR 121 HE1 TYR 121 -12.726 8.003 17.474 894 HE2 TYR 121 HE2 TYR 121 -11.128 11.909 16.656 895 HH TYR 121 HH TYR 121 -13.270 11.356 17.731 896 H CYS 122 H CYS 122 -5.771 8.892 14.148 897 HA CYS 122 HA CYS 122 -3.930 6.773 15.117 898 HB2 CYS 122 HB3 CYS 122 -3.734 8.465 12.604 899 HB3 CYS 122 HB2 CYS 122 -2.538 7.283 13.135 900 HG CYS 122 HG CYS 122 -5.095 5.814 13.002 901 H ILE 123 H ILE 123 -3.489 7.885 17.063 902 HA ILE 123 HA ILE 123 -1.639 10.129 16.790 903 HB ILE 123 HB ILE 123 -3.738 10.649 18.861 904 HG12 ILE 123 HG13 ILE 123 -4.387 11.221 15.935 905 HG13 ILE 123 HG12 ILE 123 -5.125 9.927 16.863 906 HG21 ILE 123 HG21 ILE 123 -3.395 13.013 17.640 907 HG22 ILE 123 HG22 ILE 123 -1.954 12.212 17.034 908 HG23 ILE 123 HG23 ILE 123 -2.201 12.382 18.766 909 HD11 ILE 123 HD11 ILE 123 -5.772 11.785 18.548 910 HD12 ILE 123 HD12 ILE 123 -6.679 11.667 17.039 911 HD13 ILE 123 HD13 ILE 123 -5.419 12.901 17.224 912 H ASN 124 H ASN 124 -1.531 10.859 19.511 913 HA ASN 124 HA ASN 124 -0.561 10.311 21.497 914 HB2 ASN 124 HB3 ASN 124 -1.951 7.655 21.048 915 HB3 ASN 124 HB2 ASN 124 -1.346 8.265 22.586 916 HD21 ASN 124 HD21 ASN 124 -4.194 7.642 21.682 917 HD22 ASN 124 HD22 ASN 124 -5.058 9.072 21.984 918 H SER 125 H SER 125 1.068 10.032 19.214 919 HA SER 125 HA SER 125 2.739 7.698 19.949 920 HB2 SER 125 HB3 SER 125 2.370 8.992 17.249 921 HB3 SER 125 HB2 SER 125 3.561 7.744 17.603 922 HG SER 125 HG SER 125 1.920 6.505 17.074 923 H VAL 126 H VAL 126 2.744 10.928 20.479 924 HA VAL 126 HA VAL 126 5.667 11.099 20.089 925 HB VAL 126 HB VAL 126 4.254 12.630 18.614 926 HG11 VAL 126 HG11 VAL 126 4.099 14.612 20.842 927 HG12 VAL 126 HG12 VAL 126 2.879 13.329 20.848 928 HG13 VAL 126 HG13 VAL 126 3.043 14.380 19.446 929 HG21 VAL 126 HG21 VAL 126 6.580 13.042 18.779 930 HG22 VAL 126 HG22 VAL 126 6.445 13.606 20.444 931 HG23 VAL 126 HG23 VAL 126 5.828 14.599 19.126 932 H CYS 127 H CYS 127 4.820 9.940 22.397 933 HA CYS 127 HA CYS 127 5.266 10.002 24.644 934 HB2 CYS 127 HB3 CYS 127 7.262 11.391 23.778 935 HB3 CYS 127 HB2 CYS 127 6.367 12.792 24.365 936 HG CYS 127 HG CYS 127 6.563 11.923 26.769 937 H LEU 128 H LEU 128 2.779 10.222 24.420 938 HA LEU 128 HA LEU 128 1.700 12.726 25.477 939 HB2 LEU 128 HB3 LEU 128 0.362 11.689 23.790 940 HB3 LEU 128 HB2 LEU 128 0.470 10.111 24.555 941 HG LEU 128 HG LEU 128 -0.772 12.326 26.169 942 HD11 LEU 128 HD11 LEU 128 -1.704 12.360 23.727 943 HD12 LEU 128 HD12 LEU 128 -2.837 12.340 25.077 944 HD13 LEU 128 HD13 LEU 128 -2.497 10.855 24.192 945 HD21 LEU 128 HD21 LEU 128 -0.637 10.180 27.230 946 HD22 LEU 128 HD22 LEU 128 -1.208 9.354 25.791 947 HD23 LEU 128 HD23 LEU 128 -2.318 10.350 26.734 948 H THR 129 H THR 129 0.553 12.815 27.511 949 HA THR 129 HA THR 129 1.838 11.180 29.557 950 HB THR 129 HB THR 129 -0.036 13.549 29.799 951 HG1 THR 129 HG1 THR 129 1.756 14.383 29.020 952 HG21 THR 129 HG21 THR 129 0.890 13.684 32.115 953 HG22 THR 129 HG22 THR 129 1.718 12.151 31.844 954 HG23 THR 129 HG23 THR 129 -0.045 12.212 31.849 955 H LEU 130 H LEU 130 0.946 9.588 30.663 956 HA LEU 130 HA LEU 130 -1.834 8.827 30.103 957 HB2 LEU 130 HB3 LEU 130 -0.267 7.073 29.681 958 HB3 LEU 130 HB2 LEU 130 0.570 7.362 31.189 959 HG LEU 130 HG LEU 130 -0.914 5.262 31.010 960 HD11 LEU 130 HD11 LEU 130 -1.195 5.203 33.303 961 HD12 LEU 130 HD12 LEU 130 -1.690 6.890 33.408 962 HD13 LEU 130 HD13 LEU 130 0.005 6.483 33.137 963 HD21 LEU 130 HD21 LEU 130 -3.184 5.367 30.920 964 HD22 LEU 130 HD22 LEU 130 -2.915 6.962 30.222 965 HD23 LEU 130 HD23 LEU 130 -3.280 6.800 31.941 966 H ILE 131 H ILE 131 -3.389 8.960 31.560 967 HA ILE 131 HA ILE 131 -2.715 9.860 34.288 968 HB ILE 131 HB ILE 131 -5.368 9.915 32.819 969 HG12 ILE 131 HG13 ILE 131 -3.766 11.471 31.780 970 HG13 ILE 131 HG12 ILE 131 -5.016 12.361 32.637 971 HG21 ILE 131 HG21 ILE 131 -5.920 11.573 34.705 972 HG22 ILE 131 HG22 ILE 131 -4.503 10.925 35.531 973 HG23 ILE 131 HG23 ILE 131 -5.856 9.865 35.138 974 HD11 ILE 131 HD11 ILE 131 -3.443 12.622 34.571 975 HD12 ILE 131 HD12 ILE 131 -2.844 13.383 33.098 976 HD13 ILE 131 HD13 ILE 131 -2.189 11.830 33.617 977 HA PRO 132 HA PRO 132 -3.857 5.575 35.313 978 HB2 PRO 132 HB3 PRO 132 -3.177 5.705 37.976 979 HB3 PRO 132 HB2 PRO 132 -2.015 5.396 36.675 980 HG2 PRO 132 HG3 PRO 132 -2.516 7.876 38.200 981 HG3 PRO 132 HG2 PRO 132 -1.020 7.264 37.488 982 HD2 PRO 132 HD3 PRO 132 -2.585 9.277 36.435 983 HD3 PRO 132 HD2 PRO 132 -1.393 8.323 35.524 984 H ALA 133 H ALA 133 -6.064 5.766 35.080 985 HA ALA 133 HA ALA 133 -7.792 7.349 36.580 986 HB1 ALA 133 HB1 ALA 133 -8.725 6.520 34.626 987 HB2 ALA 133 HB2 ALA 133 -9.477 5.469 35.828 988 HB3 ALA 133 HB3 ALA 133 -8.093 4.892 34.893 989 H GLU 134 H GLU 134 -7.024 3.871 37.018 990 HA GLU 134 HA GLU 134 -7.110 3.946 39.837 991 HB2 GLU 134 HB3 GLU 134 -9.560 4.336 39.369 992 HB3 GLU 134 HB2 GLU 134 -9.600 2.754 38.601 993 HG2 GLU 134 HG3 GLU 134 -8.887 1.694 40.699 994 HG3 GLU 134 HG2 GLU 134 -8.775 3.274 41.473 995 H GLU 135 H GLU 135 -8.374 1.669 37.377 996 HA GLU 135 HA GLU 135 -7.845 -0.499 36.885 997 HB2 GLU 135 HB3 GLU 135 -5.108 0.525 37.676 998 HB3 GLU 135 HB2 GLU 135 -5.384 -1.068 36.975 999 HG2 GLU 135 HG3 GLU 135 -6.141 1.568 35.678 1000 HG3 GLU 135 HG2 GLU 135 -4.742 0.589 35.252 1001 H SER 136 H SER 136 -9.105 -0.256 39.210 1002 HA SER 136 HA SER 136 -7.796 -1.375 41.477 1003 HB2 SER 136 HB3 SER 136 -10.020 -1.594 42.416 1004 HB3 SER 136 HB2 SER 136 -9.907 -0.050 41.576 1005 HG SER 136 HG SER 136 -11.808 -1.492 41.164
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