NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
587892 | 2mpe | 19042 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -25.732 -4.646 9.411 2 H2 GLY 1 HT2 GLY 1 -26.526 -5.889 8.591 3 H3 GLY 1 HT3 GLY 1 -27.320 -5.047 9.824 4 HA2 GLY 1 HA1 GLY 1 -28.107 -4.316 7.676 5 HA3 GLY 1 HA2 GLY 1 -27.274 -3.023 8.527 6 H ALA 2 HN ALA 2 -26.957 -2.022 6.476 7 HA ALA 2 HA ALA 2 -25.361 -3.345 4.481 8 HB1 ALA 2 HB1 ALA 2 -27.111 -1.728 3.871 9 HB2 ALA 2 HB2 ALA 2 -25.528 -1.264 3.245 10 HB3 ALA 2 HB3 ALA 2 -26.189 -0.450 4.663 11 H MET 3 HN MET 3 -23.532 -3.833 5.855 12 HA MET 3 HA MET 3 -21.719 -1.521 6.112 13 HB2 MET 3 HB2 MET 3 -20.520 -2.761 7.857 14 HB3 MET 3 HB1 MET 3 -22.212 -2.565 8.293 15 HG2 MET 3 HG2 MET 3 -22.684 -4.846 7.691 16 HG3 MET 3 HG1 MET 3 -21.048 -5.056 7.069 17 HE1 MET 3 HE1 MET 3 -18.891 -5.130 8.556 18 HE2 MET 3 HE2 MET 3 -18.882 -4.931 10.308 19 HE3 MET 3 HE3 MET 3 -19.277 -3.565 9.267 20 H GLY 4 HN GLY 4 -19.352 -2.212 5.906 21 HA2 GLY 4 HA2 GLY 4 -19.078 -3.426 3.316 22 HA3 GLY 4 HA1 GLY 4 -17.786 -2.764 4.304 23 H MET 5 HN MET 5 -20.036 -5.508 4.290 24 HA MET 5 HA MET 5 -17.748 -7.260 4.901 25 HB2 MET 5 HB2 MET 5 -19.168 -8.661 6.278 26 HB3 MET 5 HB1 MET 5 -19.224 -7.015 6.886 27 HG2 MET 5 HG2 MET 5 -21.380 -6.682 5.774 28 HG3 MET 5 HG1 MET 5 -21.324 -8.340 5.180 29 HE1 MET 5 HE1 MET 5 -21.372 -10.480 6.780 30 HE2 MET 5 HE2 MET 5 -21.499 -10.383 8.536 31 HE3 MET 5 HE3 MET 5 -20.031 -9.835 7.726 32 H SER 6 HN SER 6 -19.106 -6.390 2.426 33 HA SER 6 HA SER 6 -20.343 -8.875 1.504 34 HB2 SER 6 HB2 SER 6 -21.665 -6.875 1.096 35 HB3 SER 6 HB1 SER 6 -20.292 -6.078 0.335 36 HG SER 6 HG SER 6 -21.938 -7.073 -1.083 37 HA PRO 7 HA PRO 7 -16.700 -9.893 -0.872 38 HB2 PRO 7 HB2 PRO 7 -17.905 -11.416 -2.795 39 HB3 PRO 7 HB1 PRO 7 -17.534 -12.008 -1.174 40 HG2 PRO 7 HG2 PRO 7 -20.121 -11.000 -2.282 41 HG3 PRO 7 HG1 PRO 7 -19.822 -12.381 -1.209 42 HD2 PRO 7 HD2 PRO 7 -20.751 -10.009 -0.298 43 HD3 PRO 7 HD1 PRO 7 -19.682 -11.042 0.674 44 H ASP 8 HN ASP 8 -19.427 -8.195 -1.966 45 HA ASP 8 HA ASP 8 -18.366 -7.497 -4.576 46 HB2 ASP 8 HB2 ASP 8 -20.800 -7.569 -4.263 47 HB3 ASP 8 HB1 ASP 8 -20.687 -6.346 -3.001 48 H THR 9 HN THR 9 -18.505 -6.203 -1.337 49 HA THR 9 HA THR 9 -17.546 -3.601 -1.874 50 HB THR 9 HB THR 9 -17.233 -5.230 0.658 51 HG1 THR 9 HG1 THR 9 -19.402 -3.776 -0.419 52 HG21 THR 9 HG21 THR 9 -15.847 -3.218 0.613 53 HG22 THR 9 HG22 THR 9 -17.165 -3.045 1.774 54 HG23 THR 9 HG23 THR 9 -17.261 -2.246 0.205 55 H ALA 10 HN ALA 10 -15.997 -6.599 -0.809 56 HA ALA 10 HA ALA 10 -13.373 -5.618 -0.688 57 HB1 ALA 10 HB1 ALA 10 -14.082 -7.694 0.394 58 HB2 ALA 10 HB2 ALA 10 -12.689 -7.952 -0.655 59 HB3 ALA 10 HB3 ALA 10 -14.297 -8.443 -1.188 60 H ARG 11 HN ARG 11 -15.242 -7.081 -3.305 61 HA ARG 11 HA ARG 11 -13.112 -7.311 -5.138 62 HB2 ARG 11 HB2 ARG 11 -15.161 -8.531 -5.520 63 HB3 ARG 11 HB1 ARG 11 -16.080 -7.034 -5.625 64 HG2 ARG 11 HG2 ARG 11 -14.997 -6.436 -7.672 65 HG3 ARG 11 HG1 ARG 11 -13.881 -7.793 -7.531 66 HD2 ARG 11 HD2 ARG 11 -15.740 -9.353 -7.758 67 HD3 ARG 11 HD1 ARG 11 -16.869 -8.005 -7.878 68 HE ARG 11 HE ARG 11 -15.511 -7.377 -9.928 69 HH11 ARG 11 HH11 ARG 11 -15.941 -10.686 -8.855 70 HH12 ARG 11 HH12 ARG 11 -15.707 -11.361 -10.436 71 HH21 ARG 11 HH21 ARG 11 -15.233 -8.262 -12.013 72 HH22 ARG 11 HH22 ARG 11 -15.312 -9.981 -12.232 73 H ARG 12 HN ARG 12 -15.398 -4.709 -4.465 74 HA ARG 12 HA ARG 12 -14.749 -3.028 -6.597 75 HB2 ARG 12 HB2 ARG 12 -16.691 -2.707 -5.094 76 HB3 ARG 12 HB1 ARG 12 -15.594 -2.234 -3.805 77 HG2 ARG 12 HG2 ARG 12 -14.871 -0.304 -5.108 78 HG3 ARG 12 HG1 ARG 12 -15.954 -0.778 -6.417 79 HD2 ARG 12 HD2 ARG 12 -17.881 -0.419 -5.038 80 HD3 ARG 12 HD1 ARG 12 -16.873 -0.169 -3.614 81 HE ARG 12 HE ARG 12 -16.018 1.779 -5.241 82 HH11 ARG 12 HH11 ARG 12 -19.271 0.785 -4.379 83 HH12 ARG 12 HH12 ARG 12 -19.922 2.390 -4.489 84 HH21 ARG 12 HH21 ARG 12 -16.870 3.887 -5.364 85 HH22 ARG 12 HH22 ARG 12 -18.556 4.156 -5.044 86 H PHE 13 HN PHE 13 -13.298 -3.345 -3.386 87 HA PHE 13 HA PHE 13 -11.448 -1.220 -3.692 88 HB2 PHE 13 HB2 PHE 13 -12.027 -2.169 -1.489 89 HB3 PHE 13 HB1 PHE 13 -11.252 -3.681 -1.936 90 HD1 PHE 13 HD1 PHE 13 -10.611 -0.085 -1.312 91 HD2 PHE 13 HD2 PHE 13 -8.948 -3.991 -1.638 92 HE1 PHE 13 HE1 PHE 13 -8.469 0.757 -0.443 93 HE2 PHE 13 HE2 PHE 13 -6.805 -3.157 -0.771 94 HZ PHE 13 HZ PHE 13 -6.564 -0.782 -0.172 95 H ASP 14 HN ASP 14 -11.184 -4.714 -4.172 96 HA ASP 14 HA ASP 14 -8.488 -4.825 -4.890 97 HB2 ASP 14 HB2 ASP 14 -9.460 -6.872 -4.343 98 HB3 ASP 14 HB1 ASP 14 -10.851 -6.599 -5.382 99 H THR 15 HN THR 15 -11.340 -4.209 -6.866 100 HA THR 15 HA THR 15 -9.772 -4.462 -9.289 101 HB THR 15 HB THR 15 -12.131 -5.323 -9.119 102 HG1 THR 15 HG1 THR 15 -11.905 -5.228 -11.199 103 HG21 THR 15 HG21 THR 15 -13.193 -3.473 -7.962 104 HG22 THR 15 HG22 THR 15 -13.957 -3.712 -9.533 105 HG23 THR 15 HG23 THR 15 -12.817 -2.388 -9.299 106 H GLU 16 HN GLU 16 -11.323 -1.841 -7.454 107 HA GLU 16 HA GLU 16 -10.665 0.033 -9.598 108 HB2 GLU 16 HB2 GLU 16 -12.950 -0.022 -8.611 109 HB3 GLU 16 HB1 GLU 16 -12.262 0.506 -7.081 110 HG2 GLU 16 HG2 GLU 16 -13.148 2.427 -8.108 111 HG3 GLU 16 HG1 GLU 16 -11.396 2.528 -8.293 112 H PHE 17 HN PHE 17 -9.960 -0.455 -6.146 113 HA PHE 17 HA PHE 17 -8.563 2.119 -6.133 114 HB2 PHE 17 HB2 PHE 17 -9.507 0.372 -3.858 115 HB3 PHE 17 HB1 PHE 17 -8.633 1.883 -3.651 116 HD1 PHE 17 HD2 PHE 17 -11.810 0.383 -4.785 117 HD2 PHE 17 HD1 PHE 17 -9.722 3.990 -3.905 118 HE1 PHE 17 HE2 PHE 17 -13.933 1.621 -4.845 119 HE2 PHE 17 HE1 PHE 17 -11.844 5.231 -3.967 120 HZ PHE 17 HZ PHE 17 -13.951 4.048 -4.437 121 H ALA 18 HN ALA 18 -7.993 -1.287 -5.290 122 HA ALA 18 HA ALA 18 -5.515 -0.915 -4.068 123 HB1 ALA 18 HB1 ALA 18 -5.191 -3.275 -4.257 124 HB2 ALA 18 HB2 ALA 18 -6.390 -3.385 -5.543 125 HB3 ALA 18 HB3 ALA 18 -6.890 -2.962 -3.906 126 HA PRO 19 HA PRO 19 -3.384 -1.864 -8.346 127 HB2 PRO 19 HB2 PRO 19 -5.421 -0.857 -10.251 128 HB3 PRO 19 HB1 PRO 19 -4.395 -2.295 -10.359 129 HG2 PRO 19 HG2 PRO 19 -6.994 -2.524 -9.850 130 HG3 PRO 19 HG1 PRO 19 -5.812 -3.562 -9.029 131 HD2 PRO 19 HD2 PRO 19 -7.204 -1.107 -8.004 132 HD3 PRO 19 HD1 PRO 19 -6.932 -2.664 -7.195 133 H ARG 20 HN ARG 20 -5.536 0.803 -7.738 134 HA ARG 20 HA ARG 20 -4.110 2.755 -9.246 135 HB2 ARG 20 HB2 ARG 20 -6.459 3.074 -8.648 136 HB3 ARG 20 HB1 ARG 20 -6.048 3.059 -6.943 137 HG2 ARG 20 HG2 ARG 20 -6.479 5.313 -7.777 138 HG3 ARG 20 HG1 ARG 20 -4.829 5.132 -7.182 139 HD2 ARG 20 HD2 ARG 20 -3.963 5.024 -9.390 140 HD3 ARG 20 HD1 ARG 20 -5.574 4.879 -10.086 141 HE ARG 20 HE ARG 20 -5.891 7.221 -9.098 142 HH11 ARG 20 HH11 ARG 20 -2.859 5.997 -10.360 143 HH12 ARG 20 HH12 ARG 20 -2.261 7.566 -10.793 144 HH21 ARG 20 HH21 ARG 20 -5.117 9.280 -9.694 145 HH22 ARG 20 HH22 ARG 20 -3.553 9.437 -10.433 146 H ILE 21 HN ILE 21 -4.073 1.673 -5.897 147 HA ILE 21 HA ILE 21 -2.192 3.590 -4.970 148 HB ILE 21 HB ILE 21 -2.825 0.847 -3.859 149 HG12 ILE 21 HG12 ILE 21 -3.895 3.556 -3.025 150 HG13 ILE 21 HG11 ILE 21 -4.774 2.417 -4.037 151 HG21 ILE 21 HG21 ILE 21 -1.873 1.660 -1.772 152 HG22 ILE 21 HG22 ILE 21 -1.510 3.214 -2.521 153 HG23 ILE 21 HG23 ILE 21 -0.680 1.755 -3.067 154 HD11 ILE 21 HD11 ILE 21 -3.921 1.982 -1.181 155 HD12 ILE 21 HD12 ILE 21 -4.742 0.792 -2.192 156 HD13 ILE 21 HD13 ILE 21 -5.557 2.295 -1.760 157 H ALA 22 HN ALA 22 -1.922 0.212 -6.010 158 HA ALA 22 HA ALA 22 0.799 -0.145 -5.519 159 HB1 ALA 22 HB1 ALA 22 0.641 -2.044 -7.054 160 HB2 ALA 22 HB2 ALA 22 -0.910 -1.447 -7.634 161 HB3 ALA 22 HB3 ALA 22 -0.743 -1.984 -5.964 162 H ARG 23 HN ARG 23 -0.842 0.899 -8.478 163 HA ARG 23 HA ARG 23 1.541 1.037 -10.020 164 HB2 ARG 23 HB2 ARG 23 -0.705 0.681 -10.986 165 HB3 ARG 23 HB1 ARG 23 -1.158 2.309 -10.508 166 HG2 ARG 23 HG2 ARG 23 0.432 3.259 -12.032 167 HG3 ARG 23 HG1 ARG 23 1.063 1.657 -12.430 168 HD2 ARG 23 HD2 ARG 23 -1.064 1.021 -13.391 169 HD3 ARG 23 HD1 ARG 23 -1.776 2.555 -12.904 170 HE ARG 23 HE ARG 23 0.465 3.036 -14.538 171 HH11 ARG 23 HH11 ARG 23 -2.800 1.794 -14.721 172 HH12 ARG 23 HH12 ARG 23 -3.033 2.285 -16.368 173 HH21 ARG 23 HH21 ARG 23 0.153 3.708 -16.700 174 HH22 ARG 23 HH22 ARG 23 -1.357 3.390 -17.490 175 H ALA 24 HN ALA 24 -0.327 3.386 -8.163 176 HA ALA 24 HA ALA 24 1.024 5.697 -9.050 177 HB1 ALA 24 HB1 ALA 24 0.090 6.796 -7.096 178 HB2 ALA 24 HB2 ALA 24 -0.324 5.232 -6.394 179 HB3 ALA 24 HB3 ALA 24 -1.123 5.776 -7.868 180 H ILE 25 HN ILE 25 1.581 3.531 -6.309 181 HA ILE 25 HA ILE 25 3.750 4.971 -5.212 182 HB ILE 25 HB ILE 25 3.044 2.040 -4.968 183 HG12 ILE 25 HG12 ILE 25 1.331 3.559 -4.073 184 HG13 ILE 25 HG11 ILE 25 2.136 2.687 -2.773 185 HG21 ILE 25 HG21 ILE 25 4.516 1.999 -3.021 186 HG22 ILE 25 HG22 ILE 25 4.987 3.669 -3.332 187 HG23 ILE 25 HG23 ILE 25 5.410 2.403 -4.485 188 HD11 ILE 25 HD11 ILE 25 2.598 5.545 -3.587 189 HD12 ILE 25 HD12 ILE 25 3.535 4.686 -2.366 190 HD13 ILE 25 HD13 ILE 25 1.811 4.965 -2.121 191 H ALA 26 HN ALA 26 3.613 2.206 -7.434 192 HA ALA 26 HA ALA 26 6.355 1.718 -7.620 193 HB1 ALA 26 HB1 ALA 26 4.661 0.169 -8.452 194 HB2 ALA 26 HB2 ALA 26 5.843 0.554 -9.703 195 HB3 ALA 26 HB3 ALA 26 4.247 1.305 -9.736 196 H ASP 27 HN ASP 27 4.273 3.854 -9.510 197 HA ASP 27 HA ASP 27 6.324 4.711 -11.288 198 HB2 ASP 27 HB2 ASP 27 3.995 4.835 -11.951 199 HB3 ASP 27 HB1 ASP 27 3.636 5.915 -10.610 200 H LEU 28 HN LEU 28 5.109 5.852 -8.209 201 HA LEU 28 HA LEU 28 6.337 8.410 -8.259 202 HB2 LEU 28 HB2 LEU 28 4.444 7.653 -6.753 203 HB3 LEU 28 HB1 LEU 28 5.625 6.756 -5.829 204 HG LEU 28 HG LEU 28 4.871 9.005 -4.904 205 HD11 LEU 28 HD11 LEU 28 6.799 7.847 -4.021 206 HD12 LEU 28 HD12 LEU 28 7.112 9.581 -4.096 207 HD13 LEU 28 HD13 LEU 28 7.813 8.505 -5.305 208 HD21 LEU 28 HD21 LEU 28 4.968 10.255 -7.007 209 HD22 LEU 28 HD22 LEU 28 6.716 10.025 -7.060 210 HD23 LEU 28 HD23 LEU 28 5.993 10.983 -5.769 211 H LEU 29 HN LEU 29 7.336 5.218 -7.197 212 HA LEU 29 HA LEU 29 9.861 6.192 -6.159 213 HB2 LEU 29 HB2 LEU 29 8.893 3.362 -6.584 214 HB3 LEU 29 HB1 LEU 29 10.321 3.835 -5.684 215 HG LEU 29 HG LEU 29 7.478 4.498 -4.928 216 HD11 LEU 29 HD11 LEU 29 7.845 2.914 -3.091 217 HD12 LEU 29 HD12 LEU 29 9.419 2.502 -3.775 218 HD13 LEU 29 HD13 LEU 29 7.944 2.135 -4.669 219 HD21 LEU 29 HD21 LEU 29 8.935 6.225 -4.141 220 HD22 LEU 29 HD22 LEU 29 10.103 5.041 -3.555 221 HD23 LEU 29 HD23 LEU 29 8.528 5.186 -2.775 222 H ASN 30 HN ASN 30 8.853 6.083 -9.133 223 HA ASN 30 HA ASN 30 9.706 5.796 -11.208 224 HB2 ASN 30 HB2 ASN 30 12.272 6.180 -9.658 225 HB3 ASN 30 HB1 ASN 30 12.210 6.111 -11.415 226 HD21 ASN 30 HD21 ASN 30 12.890 8.189 -11.737 227 HD22 ASN 30 HD22 ASN 30 11.940 9.573 -11.327 228 H HIS 31 HN HIS 31 9.066 3.450 -9.823 229 HA HIS 31 HA HIS 31 9.168 1.210 -10.042 230 HB2 HIS 31 HB2 HIS 31 10.836 1.909 -12.461 231 HB3 HIS 31 HB1 HIS 31 10.284 0.278 -12.087 232 HD1 HIS 31 HD1 HIS 31 7.607 -0.029 -12.025 233 HD2 HIS 31 HD2 HIS 31 9.021 3.452 -13.804 234 HE1 HIS 31 HE1 HIS 31 5.677 0.887 -13.348 235 HE2 HIS 31 HE2 HIS 31 6.551 2.992 -14.418 236 H ARG 32 HN ARG 32 11.174 2.549 -8.364 237 HA ARG 32 HA ARG 32 13.486 0.838 -8.461 238 HB2 ARG 32 HB2 ARG 32 12.420 2.744 -6.381 239 HB3 ARG 32 HB1 ARG 32 13.841 1.752 -6.094 240 HG2 ARG 32 HG2 ARG 32 14.965 2.802 -7.983 241 HG3 ARG 32 HG1 ARG 32 13.532 3.787 -8.290 242 HD2 ARG 32 HD2 ARG 32 13.756 4.838 -6.123 243 HD3 ARG 32 HD1 ARG 32 15.132 3.804 -5.740 244 HE ARG 32 HE ARG 32 15.872 5.062 -8.034 245 HH11 ARG 32 HH11 ARG 32 14.706 6.173 -4.933 246 HH12 ARG 32 HH12 ARG 32 15.633 7.638 -4.960 247 HH21 ARG 32 HH21 ARG 32 17.096 6.977 -8.087 248 HH22 ARG 32 HH22 ARG 32 17.002 8.098 -6.769 249 H ALA 33 HN ALA 33 10.312 0.542 -7.411 250 HA ALA 33 HA ALA 33 10.964 -1.988 -6.096 251 HB1 ALA 33 HB1 ALA 33 9.230 -1.586 -4.416 252 HB2 ALA 33 HB2 ALA 33 8.950 0.021 -5.087 253 HB3 ALA 33 HB3 ALA 33 10.497 -0.363 -4.331 254 H HIS 34 HN HIS 34 9.515 -3.622 -6.467 255 HA HIS 34 HA HIS 34 7.571 -3.122 -8.605 256 HB2 HIS 34 HB2 HIS 34 9.227 -4.977 -8.901 257 HB3 HIS 34 HB1 HIS 34 8.561 -5.762 -7.471 258 HD1 HIS 34 HD1 HIS 34 7.891 -5.154 -11.086 259 HD2 HIS 34 HD2 HIS 34 6.033 -6.975 -7.840 260 HE1 HIS 34 HE1 HIS 34 6.003 -6.502 -12.055 261 HE2 HIS 34 HE2 HIS 34 4.823 -7.500 -10.064 262 H THR 35 HN THR 35 5.423 -3.232 -8.238 263 HA THR 35 HA THR 35 4.628 -3.857 -5.478 264 HB THR 35 HB THR 35 2.672 -2.362 -5.921 265 HG1 THR 35 HG1 THR 35 3.028 -0.885 -7.767 266 HG21 THR 35 HG21 THR 35 5.356 -1.032 -6.304 267 HG22 THR 35 HG22 THR 35 4.734 -1.603 -4.757 268 HG23 THR 35 HG23 THR 35 3.904 -0.303 -5.615 269 H ASP 36 HN ASP 36 2.913 -5.182 -5.096 270 HA ASP 36 HA ASP 36 1.506 -6.358 -7.369 271 HB2 ASP 36 HB2 ASP 36 3.457 -7.811 -7.055 272 HB3 ASP 36 HB1 ASP 36 3.080 -7.974 -5.343 273 H VAL 37 HN VAL 37 -0.583 -6.431 -6.912 274 HA VAL 37 HA VAL 37 -1.426 -6.018 -4.162 275 HB VAL 37 HB VAL 37 -3.054 -6.080 -6.704 276 HG11 VAL 37 HG11 VAL 37 -3.845 -5.227 -3.922 277 HG12 VAL 37 HG12 VAL 37 -4.384 -6.687 -4.750 278 HG13 VAL 37 HG13 VAL 37 -4.847 -5.101 -5.368 279 HG21 VAL 37 HG21 VAL 37 -2.097 -3.743 -5.053 280 HG22 VAL 37 HG22 VAL 37 -3.160 -3.647 -6.456 281 HG23 VAL 37 HG23 VAL 37 -1.497 -4.203 -6.646 282 H VAL 38 HN VAL 38 -1.734 -7.729 -2.926 283 HA VAL 38 HA VAL 38 -2.618 -10.283 -3.842 284 HB VAL 38 HB VAL 38 -2.888 -9.146 -1.051 285 HG11 VAL 38 HG11 VAL 38 -2.815 -11.480 -0.342 286 HG12 VAL 38 HG12 VAL 38 -2.722 -11.990 -2.028 287 HG13 VAL 38 HG13 VAL 38 -4.169 -11.176 -1.430 288 HG21 VAL 38 HG21 VAL 38 -0.553 -10.587 -2.292 289 HG22 VAL 38 HG22 VAL 38 -0.732 -10.250 -0.573 290 HG23 VAL 38 HG23 VAL 38 -0.583 -8.920 -1.720 291 H GLY 39 HN GLY 39 -4.513 -10.246 -4.947 292 HA2 GLY 39 HA2 GLY 39 -6.619 -8.424 -4.240 293 HA3 GLY 39 HA1 GLY 39 -6.654 -9.611 -5.535 294 H TYR 40 HN TYR 40 -8.922 -9.343 -4.256 295 HA TYR 40 HA TYR 40 -9.216 -10.980 -1.946 296 HB2 TYR 40 HB2 TYR 40 -10.820 -9.184 -2.588 297 HB3 TYR 40 HB1 TYR 40 -11.302 -10.149 -3.981 298 HD1 TYR 40 HD1 TYR 40 -11.080 -10.360 -0.257 299 HD2 TYR 40 HD2 TYR 40 -13.145 -11.560 -3.783 300 HE1 TYR 40 HE1 TYR 40 -12.799 -11.445 1.125 301 HE2 TYR 40 HE2 TYR 40 -14.868 -12.649 -2.406 302 HH TYR 40 HH TYR 40 -15.180 -12.104 0.907 303 H GLY 41 HN GLY 41 -8.919 -13.103 -1.929 304 HA2 GLY 41 HA2 GLY 41 -9.632 -14.632 -4.357 305 HA3 GLY 41 HA1 GLY 41 -8.280 -15.046 -3.305 306 H GLY 42 HN GLY 42 -11.637 -14.160 -2.590 307 HA2 GLY 42 HA2 GLY 42 -13.310 -15.746 -1.940 308 HA3 GLY 42 HA1 GLY 42 -12.023 -16.837 -1.437 309 H HIS 43 HN HIS 43 -14.141 -16.309 0.213 310 HA HIS 43 HA HIS 43 -13.769 -14.159 2.005 311 HB2 HIS 43 HB2 HIS 43 -15.173 -16.818 2.383 312 HB3 HIS 43 HB1 HIS 43 -15.241 -15.492 3.538 313 HD1 HIS 43 HD1 HIS 43 -17.014 -13.773 3.180 314 HD2 HIS 43 HD2 HIS 43 -16.397 -16.139 -0.187 315 HE1 HIS 43 HE1 HIS 43 -18.835 -13.141 1.562 316 HE2 HIS 43 HE2 HIS 43 -18.502 -14.658 -0.422 317 H GLY 44 HN GLY 44 -12.128 -13.849 3.330 318 HA2 GLY 44 HA2 GLY 44 -10.960 -14.661 5.324 319 HA3 GLY 44 HA1 GLY 44 -10.827 -16.218 4.521 320 H HIS 45 HN HIS 45 -10.403 -14.114 2.113 321 HA HIS 45 HA HIS 45 -7.489 -13.947 2.541 322 HB2 HIS 45 HB2 HIS 45 -9.033 -14.280 -0.045 323 HB3 HIS 45 HB1 HIS 45 -7.311 -13.935 0.033 324 HD1 HIS 45 HD1 HIS 45 -5.781 -15.895 0.211 325 HD2 HIS 45 HD2 HIS 45 -9.720 -16.884 1.120 326 HE1 HIS 45 HE1 HIS 45 -5.814 -18.397 0.453 327 HE2 HIS 45 HE2 HIS 45 -8.209 -18.978 0.976 328 HA PRO 46 HA PRO 46 -8.885 -9.629 2.527 329 HB2 PRO 46 HB2 PRO 46 -6.794 -8.649 3.936 330 HB3 PRO 46 HB1 PRO 46 -8.148 -9.497 4.705 331 HG2 PRO 46 HG2 PRO 46 -5.425 -10.522 3.986 332 HG3 PRO 46 HG1 PRO 46 -6.372 -10.797 5.460 333 HD2 PRO 46 HD2 PRO 46 -6.213 -12.601 3.425 334 HD3 PRO 46 HD1 PRO 46 -7.622 -12.462 4.493 335 H THR 47 HN THR 47 -8.320 -7.881 1.300 336 HA THR 47 HA THR 47 -6.244 -8.272 -0.666 337 HB THR 47 HB THR 47 -8.137 -5.933 -0.318 338 HG1 THR 47 HG1 THR 47 -8.400 -8.466 -1.495 339 HG21 THR 47 HG21 THR 47 -6.199 -5.414 -1.737 340 HG22 THR 47 HG22 THR 47 -7.674 -5.513 -2.699 341 HG23 THR 47 HG23 THR 47 -6.523 -6.847 -2.712 342 H GLN 48 HN GLN 48 -4.338 -7.235 -0.765 343 HA GLN 48 HA GLN 48 -3.700 -4.940 0.844 344 HB2 GLN 48 HB2 GLN 48 -1.919 -6.048 2.156 345 HB3 GLN 48 HB1 GLN 48 -3.514 -6.662 2.563 346 HG2 GLN 48 HG2 GLN 48 -3.086 -8.608 1.083 347 HG3 GLN 48 HG1 GLN 48 -1.447 -8.005 0.836 348 HE21 GLN 48 HE21 GLN 48 -0.493 -9.811 1.759 349 HE22 GLN 48 HE22 GLN 48 -0.549 -10.129 3.457 350 H VAL 49 HN VAL 49 -1.628 -4.043 0.251 351 HA VAL 49 HA VAL 49 -0.639 -5.229 -2.255 352 HB VAL 49 HB VAL 49 -1.727 -3.074 -2.631 353 HG11 VAL 49 HG11 VAL 49 0.364 -1.952 -0.770 354 HG12 VAL 49 HG12 VAL 49 -1.374 -2.023 -0.474 355 HG13 VAL 49 HG13 VAL 49 -0.739 -0.998 -1.762 356 HG21 VAL 49 HG21 VAL 49 1.269 -2.943 -2.966 357 HG22 VAL 49 HG22 VAL 49 0.087 -1.974 -3.848 358 HG23 VAL 49 HG23 VAL 49 0.134 -3.724 -4.068 359 H ARG 50 HN ARG 50 1.333 -5.961 -2.277 360 HA ARG 50 HA ARG 50 3.175 -5.187 -0.146 361 HB2 ARG 50 HB2 ARG 50 4.544 -7.099 -0.884 362 HB3 ARG 50 HB1 ARG 50 2.900 -7.586 -0.494 363 HG2 ARG 50 HG2 ARG 50 2.331 -7.700 -2.834 364 HG3 ARG 50 HG1 ARG 50 3.920 -7.075 -3.279 365 HD2 ARG 50 HD2 ARG 50 3.749 -9.511 -3.569 366 HD3 ARG 50 HD1 ARG 50 4.989 -9.056 -2.404 367 HE ARG 50 HE ARG 50 3.608 -9.862 -0.654 368 HH11 ARG 50 HH11 ARG 50 2.186 -10.367 -3.829 369 HH12 ARG 50 HH12 ARG 50 1.175 -11.675 -3.297 370 HH21 ARG 50 HH21 ARG 50 2.264 -11.562 0.038 371 HH22 ARG 50 HH22 ARG 50 1.214 -12.348 -1.102 372 H ILE 51 HN ILE 51 4.993 -4.082 -0.475 373 HA ILE 51 HA ILE 51 5.702 -3.364 -3.242 374 HB ILE 51 HB ILE 51 6.248 -1.743 -0.742 375 HG12 ILE 51 HG12 ILE 51 4.213 -1.196 -2.912 376 HG13 ILE 51 HG11 ILE 51 3.815 -1.904 -1.352 377 HG21 ILE 51 HG21 ILE 51 6.848 0.032 -2.331 378 HG22 ILE 51 HG22 ILE 51 6.574 -1.083 -3.669 379 HG23 ILE 51 HG23 ILE 51 7.876 -1.388 -2.518 380 HD11 ILE 51 HD11 ILE 51 4.398 0.082 -0.211 381 HD12 ILE 51 HD12 ILE 51 3.391 0.553 -1.580 382 HD13 ILE 51 HD13 ILE 51 5.141 0.771 -1.652 383 H VAL 52 HN VAL 52 7.468 -4.420 -3.844 384 HA VAL 52 HA VAL 52 9.445 -5.151 -1.784 385 HB VAL 52 HB VAL 52 8.867 -6.663 -4.344 386 HG11 VAL 52 HG11 VAL 52 10.468 -7.483 -1.923 387 HG12 VAL 52 HG12 VAL 52 11.145 -6.922 -3.451 388 HG13 VAL 52 HG13 VAL 52 10.222 -8.422 -3.394 389 HG21 VAL 52 HG21 VAL 52 7.972 -7.317 -1.537 390 HG22 VAL 52 HG22 VAL 52 7.759 -8.341 -2.958 391 HG23 VAL 52 HG23 VAL 52 6.936 -6.784 -2.863 392 H ALA 53 HN ALA 53 11.560 -4.697 -2.175 393 HA ALA 53 HA ALA 53 12.255 -3.624 -4.818 394 HB1 ALA 53 HB1 ALA 53 13.246 -2.387 -2.258 395 HB2 ALA 53 HB2 ALA 53 11.864 -1.774 -3.161 396 HB3 ALA 53 HB3 ALA 53 13.465 -1.789 -3.901 397 HA PRO 54 HA PRO 54 15.456 -6.624 -3.556 398 HB2 PRO 54 HB2 PRO 54 15.215 -8.316 -5.652 399 HB3 PRO 54 HB1 PRO 54 14.152 -8.411 -4.240 400 HG2 PRO 54 HG2 PRO 54 13.582 -7.426 -6.966 401 HG3 PRO 54 HG1 PRO 54 12.476 -8.085 -5.753 402 HD2 PRO 54 HD2 PRO 54 12.937 -5.337 -6.387 403 HD3 PRO 54 HD1 PRO 54 11.894 -5.991 -5.114 404 H HIS 55 HN HIS 55 17.260 -7.553 -5.146 405 HA HIS 55 HA HIS 55 19.087 -7.064 -6.393 406 HB2 HIS 55 HB2 HIS 55 17.565 -7.185 -8.283 407 HB3 HIS 55 HB1 HIS 55 17.058 -5.522 -8.029 408 HD1 HIS 55 HD1 HIS 55 18.088 -3.957 -9.625 409 HD2 HIS 55 HD2 HIS 55 20.571 -7.203 -8.854 410 HE1 HIS 55 HE1 HIS 55 20.127 -3.608 -11.051 411 HE2 HIS 55 HE2 HIS 55 21.704 -5.449 -10.389 412 H ALA 56 HN ALA 56 19.728 -5.887 -4.417 413 HA ALA 56 HA ALA 56 19.777 -2.998 -4.589 414 HB1 ALA 56 HB1 ALA 56 21.094 -3.101 -2.538 415 HB2 ALA 56 HB2 ALA 56 21.207 -4.854 -2.686 416 HB3 ALA 56 HB3 ALA 56 19.643 -4.092 -2.401 417 H GLU 57 HN GLU 57 20.919 -2.403 -6.386 418 HA GLU 57 HA GLU 57 23.226 -3.866 -7.232 419 HB2 GLU 57 HB2 GLU 57 21.581 -2.765 -8.778 420 HB3 GLU 57 HB1 GLU 57 22.239 -1.212 -8.280 421 HG2 GLU 57 HG2 GLU 57 23.188 -1.926 -10.394 422 HG3 GLU 57 HG1 GLU 57 24.426 -1.845 -9.141 423 H HIS 58 HN HIS 58 22.795 -0.443 -6.256 424 HA HIS 58 HA HIS 58 25.695 -0.397 -5.726 425 HB2 HIS 58 HB2 HIS 58 25.619 2.026 -6.061 426 HB3 HIS 58 HB1 HIS 58 24.996 1.182 -7.469 427 HD1 HIS 58 HD1 HIS 58 22.652 1.741 -8.210 428 HD2 HIS 58 HD2 HIS 58 23.599 3.387 -4.510 429 HE1 HIS 58 HE1 HIS 58 20.782 3.330 -7.679 430 HE2 HIS 58 HE2 HIS 58 21.445 4.416 -5.505 431 H VAL 59 HN VAL 59 23.485 -1.268 -3.917 432 HA VAL 59 HA VAL 59 23.991 0.644 -1.736 433 HB VAL 59 HB VAL 59 21.450 -0.931 -2.167 434 HG11 VAL 59 HG11 VAL 59 22.139 1.116 -0.060 435 HG12 VAL 59 HG12 VAL 59 22.043 -0.625 0.198 436 HG13 VAL 59 HG13 VAL 59 20.596 0.281 -0.243 437 HG21 VAL 59 HG21 VAL 59 21.952 2.036 -2.394 438 HG22 VAL 59 HG22 VAL 59 20.394 1.230 -2.570 439 HG23 VAL 59 HG23 VAL 59 21.678 0.933 -3.741 440 H ARG 60 HN ARG 60 25.116 -0.236 -0.153 441 HA ARG 60 HA ARG 60 24.540 -3.003 0.630 442 HB2 ARG 60 HB2 ARG 60 27.298 -1.784 0.369 443 HB3 ARG 60 HB1 ARG 60 26.967 -3.323 1.148 444 HG2 ARG 60 HG2 ARG 60 26.105 -4.190 -0.987 445 HG3 ARG 60 HG1 ARG 60 26.508 -2.650 -1.749 446 HD2 ARG 60 HD2 ARG 60 28.452 -4.538 -0.425 447 HD3 ARG 60 HD1 ARG 60 28.240 -4.319 -2.161 448 HE ARG 60 HE ARG 60 28.803 -1.819 -1.199 449 HH11 ARG 60 HH11 ARG 60 30.388 -4.936 -1.139 450 HH12 ARG 60 HH12 ARG 60 31.986 -4.265 -1.052 451 HH21 ARG 60 HH21 ARG 60 30.898 -0.924 -1.094 452 HH22 ARG 60 HH22 ARG 60 32.277 -1.976 -1.033 453 H GLY 61 HN GLY 61 24.146 -3.187 2.748 454 HA2 GLY 61 HA2 GLY 61 25.465 -1.803 4.787 455 HA3 GLY 61 HA1 GLY 61 23.986 -0.925 4.417 456 H TYR 62 HN TYR 62 22.000 -2.376 4.272 457 HA TYR 62 HA TYR 62 22.068 -4.163 6.606 458 HB2 TYR 62 HB2 TYR 62 19.614 -2.946 5.307 459 HB3 TYR 62 HB1 TYR 62 19.719 -3.712 6.893 460 HD1 TYR 62 HD2 TYR 62 21.574 -2.561 8.477 461 HD2 TYR 62 HD1 TYR 62 19.535 -0.633 5.275 462 HE1 TYR 62 HE2 TYR 62 21.994 -0.375 9.529 463 HE2 TYR 62 HE1 TYR 62 19.949 1.551 6.321 464 HH TYR 62 HH TYR 62 22.122 1.978 8.918 465 H ALA 63 HN ALA 63 21.149 -6.223 6.495 466 HA ALA 63 HA ALA 63 21.288 -7.353 3.812 467 HB1 ALA 63 HB1 ALA 63 21.510 -9.500 4.930 468 HB2 ALA 63 HB2 ALA 63 21.200 -8.737 6.488 469 HB3 ALA 63 HB3 ALA 63 22.661 -8.337 5.586 470 H HIS 64 HN HIS 64 18.938 -5.855 4.543 471 HA HIS 64 HA HIS 64 16.948 -7.991 4.225 472 HB2 HIS 64 HB2 HIS 64 16.855 -5.647 6.103 473 HB3 HIS 64 HB1 HIS 64 15.363 -6.321 5.452 474 HD1 HIS 64 HD1 HIS 64 14.466 -8.394 6.544 475 HD2 HIS 64 HD2 HIS 64 18.350 -7.506 7.735 476 HE1 HIS 64 HE1 HIS 64 14.983 -9.992 8.413 477 HE2 HIS 64 HE2 HIS 64 17.297 -9.368 9.187 478 HA PRO 65 HA PRO 65 15.997 -5.395 0.679 479 HB2 PRO 65 HB2 PRO 65 14.279 -7.149 -0.458 480 HB3 PRO 65 HB1 PRO 65 16.032 -7.335 -0.575 481 HG2 PRO 65 HG2 PRO 65 14.097 -8.710 1.240 482 HG3 PRO 65 HG1 PRO 65 15.482 -9.384 0.362 483 HD2 PRO 65 HD2 PRO 65 15.555 -8.737 3.008 484 HD3 PRO 65 HD1 PRO 65 16.982 -8.694 1.956 485 H LEU 66 HN LEU 66 14.125 -4.222 0.061 486 HA LEU 66 HA LEU 66 12.337 -3.673 2.187 487 HB2 LEU 66 HB2 LEU 66 12.946 -1.934 0.645 488 HB3 LEU 66 HB1 LEU 66 12.307 -2.849 -0.706 489 HG LEU 66 HG LEU 66 10.028 -2.612 0.255 490 HD11 LEU 66 HD11 LEU 66 10.630 -2.303 2.590 491 HD12 LEU 66 HD12 LEU 66 9.653 -0.953 2.010 492 HD13 LEU 66 HD13 LEU 66 11.395 -0.761 2.199 493 HD21 LEU 66 HD21 LEU 66 11.495 -0.030 -0.249 494 HD22 LEU 66 HD22 LEU 66 9.751 -0.271 -0.356 495 HD23 LEU 66 HD23 LEU 66 10.827 -1.101 -1.478 496 H ASN 67 HN ASN 67 10.721 -4.910 2.795 497 HA ASN 67 HA ASN 67 8.901 -5.958 0.747 498 HB2 ASN 67 HB2 ASN 67 10.394 -7.782 1.738 499 HB3 ASN 67 HB1 ASN 67 9.575 -7.488 3.272 500 HD21 ASN 67 HD21 ASN 67 7.315 -7.927 3.405 501 HD22 ASN 67 HD22 ASN 67 6.580 -9.075 2.341 502 H LEU 68 HN LEU 68 7.422 -4.370 1.086 503 HA LEU 68 HA LEU 68 6.488 -3.924 3.837 504 HB2 LEU 68 HB2 LEU 68 7.296 -1.908 2.852 505 HB3 LEU 68 HB1 LEU 68 6.437 -2.212 1.358 506 HG LEU 68 HG LEU 68 4.294 -1.813 2.523 507 HD11 LEU 68 HD11 LEU 68 4.949 -2.450 4.776 508 HD12 LEU 68 HD12 LEU 68 4.312 -0.808 4.747 509 HD13 LEU 68 HD13 LEU 68 6.051 -1.075 4.856 510 HD21 LEU 68 HD21 LEU 68 5.522 -0.013 1.350 511 HD22 LEU 68 HD22 LEU 68 6.262 0.438 2.884 512 HD23 LEU 68 HD23 LEU 68 4.516 0.574 2.672 513 H ALA 69 HN ALA 69 4.519 -4.515 4.412 514 HA ALA 69 HA ALA 69 2.561 -5.137 2.294 515 HB1 ALA 69 HB1 ALA 69 2.691 -6.246 5.098 516 HB2 ALA 69 HB2 ALA 69 3.204 -7.084 3.634 517 HB3 ALA 69 HB3 ALA 69 1.504 -6.674 3.866 518 H LEU 70 HN LEU 70 1.253 -3.467 2.054 519 HA LEU 70 HA LEU 70 0.524 -1.785 4.322 520 HB2 LEU 70 HB2 LEU 70 -0.015 -1.558 1.356 521 HB3 LEU 70 HB1 LEU 70 -0.612 -0.411 2.539 522 HG LEU 70 HG LEU 70 2.321 -0.958 2.036 523 HD11 LEU 70 HD11 LEU 70 2.334 1.172 0.866 524 HD12 LEU 70 HD12 LEU 70 0.586 1.308 1.073 525 HD13 LEU 70 HD13 LEU 70 1.259 0.020 0.072 526 HD21 LEU 70 HD21 LEU 70 1.929 -0.117 4.258 527 HD22 LEU 70 HD22 LEU 70 0.865 1.143 3.632 528 HD23 LEU 70 HD23 LEU 70 2.587 1.183 3.262 529 H THR 71 HN THR 71 -1.338 -2.023 5.401 530 HA THR 71 HA THR 71 -3.617 -3.238 4.001 531 HB THR 71 HB THR 71 -4.253 -4.336 6.171 532 HG1 THR 71 HG1 THR 71 -1.924 -3.052 6.952 533 HG21 THR 71 HG21 THR 71 -2.603 -6.176 6.011 534 HG22 THR 71 HG22 THR 71 -1.610 -5.165 4.962 535 HG23 THR 71 HG23 THR 71 -3.215 -5.675 4.436 536 H TRP 72 HN TRP 72 -5.690 -2.494 4.753 537 HA TRP 72 HA TRP 72 -5.568 -0.056 6.387 538 HB2 TRP 72 HB2 TRP 72 -6.965 -0.364 3.720 539 HB3 TRP 72 HB1 TRP 72 -7.224 0.993 4.816 540 HD1 TRP 72 HD1 TRP 72 -5.203 2.756 5.079 541 HE1 TRP 72 HE1 TRP 72 -3.215 3.308 3.542 542 HE3 TRP 72 HE3 TRP 72 -5.314 -1.383 2.082 543 HZ2 TRP 72 HZ2 TRP 72 -1.880 2.154 1.354 544 HZ3 TRP 72 HZ3 TRP 72 -3.642 -1.577 0.284 545 HH2 TRP 72 HH2 TRP 72 -1.962 0.160 -0.066 546 H ASN 73 HN ASN 73 -7.499 0.545 7.403 547 HA ASN 73 HA ASN 73 -8.909 -1.588 8.566 548 HB2 ASN 73 HB2 ASN 73 -9.439 1.386 8.563 549 HB3 ASN 73 HB1 ASN 73 -10.302 0.236 9.579 550 HD21 ASN 73 HD21 ASN 73 -8.506 2.515 10.211 551 HD22 ASN 73 HD22 ASN 73 -7.281 1.850 11.239 552 H THR 74 HN THR 74 -10.733 -2.572 8.066 553 HA THR 74 HA THR 74 -11.834 -2.387 5.500 554 HB THR 74 HB THR 74 -13.189 -3.640 7.891 555 HG1 THR 74 HG1 THR 74 -11.724 -5.197 7.832 556 HG21 THR 74 HG21 THR 74 -14.059 -5.219 6.249 557 HG22 THR 74 HG22 THR 74 -13.179 -4.400 4.962 558 HG23 THR 74 HG23 THR 74 -14.495 -3.571 5.795 559 H ASP 75 HN ASP 75 -12.764 -0.824 8.501 560 HA ASP 75 HA ASP 75 -15.331 0.050 7.769 561 HB2 ASP 75 HB2 ASP 75 -13.252 1.295 9.575 562 HB3 ASP 75 HB1 ASP 75 -14.873 1.951 9.384 563 H GLU 76 HN GLU 76 -12.201 1.683 7.466 564 HA GLU 76 HA GLU 76 -13.078 3.905 6.032 565 HB2 GLU 76 HB2 GLU 76 -10.794 3.535 7.076 566 HB3 GLU 76 HB1 GLU 76 -10.389 2.595 5.646 567 HG2 GLU 76 HG2 GLU 76 -9.543 4.803 5.362 568 HG3 GLU 76 HG1 GLU 76 -10.900 4.585 4.258 569 H ILE 77 HN ILE 77 -11.959 0.740 4.838 570 HA ILE 77 HA ILE 77 -12.121 1.241 2.101 571 HB ILE 77 HB ILE 77 -12.795 -1.344 3.525 572 HG12 ILE 77 HG12 ILE 77 -10.158 -0.362 2.393 573 HG13 ILE 77 HG11 ILE 77 -10.553 -0.521 4.103 574 HG21 ILE 77 HG21 ILE 77 -13.586 -1.361 1.226 575 HG22 ILE 77 HG22 ILE 77 -12.197 -2.433 1.401 576 HG23 ILE 77 HG23 ILE 77 -11.999 -0.848 0.656 577 HD11 ILE 77 HD11 ILE 77 -10.383 -2.784 2.122 578 HD12 ILE 77 HD12 ILE 77 -10.752 -2.936 3.838 579 HD13 ILE 77 HD13 ILE 77 -9.165 -2.365 3.327 580 H GLU 78 HN GLU 78 -14.621 0.281 4.381 581 HA GLU 78 HA GLU 78 -16.769 -0.041 2.612 582 HB2 GLU 78 HB2 GLU 78 -16.841 -0.735 4.954 583 HB3 GLU 78 HB1 GLU 78 -16.706 0.936 5.475 584 HG2 GLU 78 HG2 GLU 78 -18.896 1.353 4.298 585 HG3 GLU 78 HG1 GLU 78 -19.030 -0.399 4.128 586 H ARG 79 HN ARG 79 -15.470 2.807 4.230 587 HA ARG 79 HA ARG 79 -17.485 4.621 3.481 588 HB2 ARG 79 HB2 ARG 79 -14.641 4.931 4.376 589 HB3 ARG 79 HB1 ARG 79 -15.557 6.330 3.836 590 HG2 ARG 79 HG2 ARG 79 -16.347 4.493 6.092 591 HG3 ARG 79 HG1 ARG 79 -15.592 6.077 6.269 592 HD2 ARG 79 HD2 ARG 79 -18.297 5.474 5.084 593 HD3 ARG 79 HD1 ARG 79 -17.962 6.300 6.604 594 HE ARG 79 HE ARG 79 -16.704 7.876 4.848 595 HH11 ARG 79 HH11 ARG 79 -19.932 6.533 4.854 596 HH12 ARG 79 HH12 ARG 79 -20.614 7.830 3.927 597 HH21 ARG 79 HH21 ARG 79 -17.602 9.591 3.629 598 HH22 ARG 79 HH22 ARG 79 -19.295 9.574 3.238 599 H LEU 80 HN LEU 80 -14.740 3.371 1.767 600 HA LEU 80 HA LEU 80 -14.369 5.439 -0.103 601 HB2 LEU 80 HB2 LEU 80 -13.878 2.485 -0.487 602 HB3 LEU 80 HB1 LEU 80 -13.223 3.769 -1.481 603 HG LEU 80 HG LEU 80 -12.547 3.172 1.399 604 HD11 LEU 80 HD11 LEU 80 -10.898 3.108 -1.123 605 HD12 LEU 80 HD12 LEU 80 -11.495 1.706 -0.236 606 HD13 LEU 80 HD13 LEU 80 -10.310 2.780 0.505 607 HD21 LEU 80 HD21 LEU 80 -11.637 5.465 -0.339 608 HD22 LEU 80 HD22 LEU 80 -10.930 5.032 1.216 609 HD23 LEU 80 HD23 LEU 80 -12.603 5.579 1.131 610 H MET 81 HN MET 81 -16.865 3.112 0.189 611 HA MET 81 HA MET 81 -17.597 3.019 -2.571 612 HB2 MET 81 HB2 MET 81 -19.177 2.286 -0.100 613 HB3 MET 81 HB1 MET 81 -19.663 1.925 -1.751 614 HG2 MET 81 HG2 MET 81 -17.548 0.615 -1.996 615 HG3 MET 81 HG1 MET 81 -17.274 0.856 -0.270 616 HE1 MET 81 HE1 MET 81 -20.221 -1.095 1.351 617 HE2 MET 81 HE2 MET 81 -20.154 0.630 0.989 618 HE3 MET 81 HE3 MET 81 -18.731 -0.191 1.628 619 H GLU 82 HN GLU 82 -18.009 5.357 -0.171 620 HA GLU 82 HA GLU 82 -20.456 6.423 -1.360 621 HB2 GLU 82 HB2 GLU 82 -18.908 7.204 1.120 622 HB3 GLU 82 HB1 GLU 82 -20.340 8.055 0.555 623 HG2 GLU 82 HG2 GLU 82 -20.268 5.141 1.287 624 HG3 GLU 82 HG1 GLU 82 -20.765 6.432 2.372 625 H ALA 83 HN ALA 83 -20.519 8.854 -1.716 626 HA ALA 83 HA ALA 83 -18.604 9.605 -3.608 627 HB1 ALA 83 HB1 ALA 83 -20.856 10.565 -3.514 628 HB2 ALA 83 HB2 ALA 83 -19.616 11.819 -3.544 629 HB3 ALA 83 HB3 ALA 83 -20.428 11.417 -2.033 630 H ASP 84 HN ASP 84 -18.952 10.711 -0.229 631 HA ASP 84 HA ASP 84 -16.585 12.265 -0.210 632 HB2 ASP 84 HB2 ASP 84 -18.160 11.014 2.049 633 HB3 ASP 84 HB1 ASP 84 -16.753 12.035 2.312 634 H GLY 85 HN GLY 85 -17.085 8.939 -0.244 635 HA2 GLY 85 HA2 GLY 85 -14.755 8.145 1.232 636 HA3 GLY 85 HA1 GLY 85 -15.745 7.122 0.190 637 H ALA 86 HN ALA 86 -15.609 8.240 -2.246 638 HA ALA 86 HA ALA 86 -13.104 7.802 -3.295 639 HB1 ALA 86 HB1 ALA 86 -15.146 7.964 -4.636 640 HB2 ALA 86 HB2 ALA 86 -13.872 9.007 -5.269 641 HB3 ALA 86 HB3 ALA 86 -15.200 9.702 -4.339 642 H ALA 87 HN ALA 87 -14.465 10.766 -1.966 643 HA ALA 87 HA ALA 87 -12.333 12.482 -2.719 644 HB1 ALA 87 HB1 ALA 87 -14.268 12.779 -0.424 645 HB2 ALA 87 HB2 ALA 87 -14.547 13.324 -2.078 646 HB3 ALA 87 HB3 ALA 87 -13.264 14.055 -1.114 647 H ARG 88 HN ARG 88 -12.892 10.338 -0.032 648 HA ARG 88 HA ARG 88 -10.791 11.228 1.658 649 HB2 ARG 88 HB2 ARG 88 -12.720 9.789 2.361 650 HB3 ARG 88 HB1 ARG 88 -12.021 8.467 1.445 651 HG2 ARG 88 HG2 ARG 88 -11.419 8.043 3.659 652 HG3 ARG 88 HG1 ARG 88 -9.969 8.734 2.932 653 HD2 ARG 88 HD2 ARG 88 -11.983 10.317 4.520 654 HD3 ARG 88 HD1 ARG 88 -10.520 9.614 5.208 655 HE ARG 88 HE ARG 88 -9.349 11.038 3.440 656 HH11 ARG 88 HH11 ARG 88 -12.307 11.943 5.080 657 HH12 ARG 88 HH12 ARG 88 -12.044 13.645 4.898 658 HH21 ARG 88 HH21 ARG 88 -8.997 13.287 3.215 659 HH22 ARG 88 HH22 ARG 88 -10.154 14.413 3.835 660 H PHE 89 HN PHE 89 -11.060 8.787 -0.866 661 HA PHE 89 HA PHE 89 -8.467 7.698 -0.637 662 HB2 PHE 89 HB2 PHE 89 -10.324 6.578 -1.824 663 HB3 PHE 89 HB1 PHE 89 -10.287 7.834 -3.057 664 HD1 PHE 89 HD2 PHE 89 -8.219 5.156 -1.519 665 HD2 PHE 89 HD1 PHE 89 -8.926 7.607 -4.926 666 HE1 PHE 89 HE2 PHE 89 -6.592 3.839 -2.802 667 HE2 PHE 89 HE1 PHE 89 -7.305 6.292 -6.211 668 HZ PHE 89 HZ PHE 89 -6.133 4.406 -5.154 669 H GLU 90 HN GLU 90 -9.784 10.320 -2.616 670 HA GLU 90 HA GLU 90 -7.484 10.797 -4.162 671 HB2 GLU 90 HB2 GLU 90 -10.024 12.152 -3.607 672 HB3 GLU 90 HB1 GLU 90 -8.707 13.256 -3.966 673 HG2 GLU 90 HG2 GLU 90 -10.126 12.520 -5.910 674 HG3 GLU 90 HG1 GLU 90 -8.384 12.347 -6.104 675 H ARG 91 HN ARG 91 -8.504 11.927 -1.017 676 HA ARG 91 HA ARG 91 -6.503 13.911 -0.694 677 HB2 ARG 91 HB2 ARG 91 -8.606 13.814 0.622 678 HB3 ARG 91 HB1 ARG 91 -8.015 12.366 1.422 679 HG2 ARG 91 HG2 ARG 91 -7.720 14.294 2.843 680 HG3 ARG 91 HG1 ARG 91 -6.154 13.657 2.352 681 HD2 ARG 91 HD2 ARG 91 -5.882 15.397 0.732 682 HD3 ARG 91 HD1 ARG 91 -7.533 15.960 0.995 683 HE ARG 91 HE ARG 91 -5.838 15.995 3.345 684 HH11 ARG 91 HH11 ARG 91 -6.982 17.759 0.546 685 HH12 ARG 91 HH12 ARG 91 -6.697 19.320 1.244 686 HH21 ARG 91 HH21 ARG 91 -5.481 18.055 4.283 687 HH22 ARG 91 HH22 ARG 91 -5.854 19.489 3.378 688 H TYR 92 HN TYR 92 -6.632 10.466 -0.156 689 HA TYR 92 HA TYR 92 -4.297 10.313 1.483 690 HB2 TYR 92 HB2 TYR 92 -6.017 8.560 1.536 691 HB3 TYR 92 HB1 TYR 92 -5.695 8.180 -0.152 692 HD1 TYR 92 HD1 TYR 92 -4.106 8.216 3.215 693 HD2 TYR 92 HD2 TYR 92 -4.069 6.588 -0.718 694 HE1 TYR 92 HE1 TYR 92 -2.418 6.573 3.915 695 HE2 TYR 92 HE2 TYR 92 -2.379 4.940 -0.024 696 HH TYR 92 HH TYR 92 -0.677 4.662 1.711 697 H LEU 93 HN LEU 93 -4.975 10.017 -1.963 698 HA LEU 93 HA LEU 93 -2.421 9.131 -2.754 699 HB2 LEU 93 HB2 LEU 93 -4.409 10.785 -4.313 700 HB3 LEU 93 HB1 LEU 93 -3.026 9.958 -5.000 701 HG LEU 93 HG LEU 93 -5.438 8.658 -3.731 702 HD11 LEU 93 HD11 LEU 93 -5.814 7.801 -6.004 703 HD12 LEU 93 HD12 LEU 93 -4.464 8.778 -6.579 704 HD13 LEU 93 HD13 LEU 93 -5.901 9.560 -5.920 705 HD21 LEU 93 HD21 LEU 93 -4.415 6.542 -4.534 706 HD22 LEU 93 HD22 LEU 93 -3.506 7.313 -3.235 707 HD23 LEU 93 HD23 LEU 93 -2.940 7.436 -4.902 708 H ALA 94 HN ALA 94 -3.794 12.350 -2.316 709 HA ALA 94 HA ALA 94 -1.610 13.816 -3.286 710 HB1 ALA 94 HB1 ALA 94 -3.606 14.629 -1.182 711 HB2 ALA 94 HB2 ALA 94 -3.854 14.743 -2.924 712 HB3 ALA 94 HB3 ALA 94 -2.599 15.709 -2.147 713 H ALA 95 HN ALA 95 -2.014 12.075 -0.346 714 HA ALA 95 HA ALA 95 0.141 13.594 0.939 715 HB1 ALA 95 HB1 ALA 95 -1.796 11.638 2.155 716 HB2 ALA 95 HB2 ALA 95 -1.930 13.394 2.216 717 HB3 ALA 95 HB3 ALA 95 -0.588 12.584 3.026 718 H LEU 96 HN LEU 96 0.018 11.088 -1.052 719 HA LEU 96 HA LEU 96 1.275 8.950 0.174 720 HB2 LEU 96 HB2 LEU 96 1.636 9.979 -2.637 721 HB3 LEU 96 HB1 LEU 96 2.275 8.452 -2.071 722 HG LEU 96 HG LEU 96 -0.643 9.180 -2.165 723 HD11 LEU 96 HD11 LEU 96 0.281 8.936 -4.391 724 HD12 LEU 96 HD12 LEU 96 -0.752 7.559 -4.006 725 HD13 LEU 96 HD13 LEU 96 1.003 7.391 -3.945 726 HD21 LEU 96 HD21 LEU 96 0.770 6.621 -1.437 727 HD22 LEU 96 HD22 LEU 96 -0.960 6.743 -1.758 728 HD23 LEU 96 HD23 LEU 96 -0.255 7.610 -0.395 729 HA PRO 97 HA PRO 97 5.625 10.967 -0.807 730 HB2 PRO 97 HB2 PRO 97 5.589 13.718 -0.760 731 HB3 PRO 97 HB1 PRO 97 5.580 12.747 -2.236 732 HG2 PRO 97 HG2 PRO 97 3.279 14.016 -0.793 733 HG3 PRO 97 HG1 PRO 97 3.615 13.964 -2.536 734 HD2 PRO 97 HD2 PRO 97 1.827 12.319 -1.437 735 HD3 PRO 97 HD1 PRO 97 2.909 11.753 -2.727 736 H ARG 98 HN ARG 98 3.179 12.419 1.238 737 HA ARG 98 HA ARG 98 5.053 13.383 3.198 738 HB2 ARG 98 HB2 ARG 98 2.896 14.521 2.782 739 HB3 ARG 98 HB1 ARG 98 2.043 13.098 3.359 740 HG2 ARG 98 HG2 ARG 98 2.032 14.654 5.132 741 HG3 ARG 98 HG1 ARG 98 3.218 13.422 5.565 742 HD2 ARG 98 HD2 ARG 98 3.920 16.048 4.267 743 HD3 ARG 98 HD1 ARG 98 3.927 15.787 6.007 744 HE ARG 98 HE ARG 98 5.645 14.015 5.535 745 HH11 ARG 98 HH11 ARG 98 5.194 16.732 3.359 746 HH12 ARG 98 HH12 ARG 98 6.822 16.688 2.771 747 HH21 ARG 98 HH21 ARG 98 7.787 13.973 4.768 748 HH22 ARG 98 HH22 ARG 98 8.301 15.119 3.570 749 H LYS 99 HN LYS 99 2.807 10.664 2.915 750 HA LYS 99 HA LYS 99 3.362 9.724 5.573 751 HB2 LYS 99 HB2 LYS 99 1.906 8.445 3.257 752 HB3 LYS 99 HB1 LYS 99 2.052 7.713 4.846 753 HG2 LYS 99 HG2 LYS 99 1.009 9.911 5.704 754 HG3 LYS 99 HG1 LYS 99 0.525 10.149 4.025 755 HD2 LYS 99 HD2 LYS 99 -0.642 7.990 4.066 756 HD3 LYS 99 HD1 LYS 99 -0.167 7.772 5.754 757 HE2 LYS 99 HE2 LYS 99 -1.336 9.972 6.215 758 HE3 LYS 99 HE1 LYS 99 -2.010 9.847 4.592 759 HZ1 LYS 99 HZ1 LYS 99 -2.406 7.942 6.834 760 HZ2 LYS 99 HZ2 LYS 99 -2.964 7.685 5.259 761 HZ3 LYS 99 HZ3 LYS 99 -3.565 8.982 6.166 762 H LEU 100 HN LEU 100 4.456 9.058 2.329 763 HA LEU 100 HA LEU 100 5.902 6.718 2.763 764 HB2 LEU 100 HB2 LEU 100 5.392 7.799 0.553 765 HB3 LEU 100 HB1 LEU 100 6.643 8.975 0.904 766 HG LEU 100 HG LEU 100 8.254 7.016 1.061 767 HD11 LEU 100 HD11 LEU 100 6.673 5.216 1.314 768 HD12 LEU 100 HD12 LEU 100 7.582 4.997 -0.180 769 HD13 LEU 100 HD13 LEU 100 5.930 5.609 -0.236 770 HD21 LEU 100 HD21 LEU 100 8.546 6.910 -1.352 771 HD22 LEU 100 HD22 LEU 100 8.184 8.557 -0.834 772 HD23 LEU 100 HD23 LEU 100 6.929 7.573 -1.587 773 H ALA 101 HN ALA 101 6.955 10.109 2.917 774 HA ALA 101 HA ALA 101 9.610 9.584 3.705 775 HB1 ALA 101 HB1 ALA 101 8.844 11.732 2.773 776 HB2 ALA 101 HB2 ALA 101 9.716 11.931 4.292 777 HB3 ALA 101 HB3 ALA 101 7.957 12.044 4.264 778 H ALA 102 HN ALA 102 6.631 9.966 5.481 779 HA ALA 102 HA ALA 102 7.744 10.216 8.067 780 HB1 ALA 102 HB1 ALA 102 5.515 9.668 8.886 781 HB2 ALA 102 HB2 ALA 102 5.042 9.136 7.272 782 HB3 ALA 102 HB3 ALA 102 5.431 10.831 7.563 783 H TRP 103 HN TRP 103 6.663 7.431 6.172 784 HA TRP 103 HA TRP 103 7.082 5.516 8.216 785 HB2 TRP 103 HB2 TRP 103 6.898 5.220 5.210 786 HB3 TRP 103 HB1 TRP 103 7.045 3.850 6.309 787 HD1 TRP 103 HD1 TRP 103 4.975 4.964 8.542 788 HE1 TRP 103 HE1 TRP 103 2.457 4.901 8.013 789 HE3 TRP 103 HE3 TRP 103 5.232 4.673 3.451 790 HZ2 TRP 103 HZ2 TRP 103 0.803 4.747 5.733 791 HZ3 TRP 103 HZ3 TRP 103 3.138 4.568 2.167 792 HH2 TRP 103 HH2 TRP 103 0.969 4.605 3.287 793 H GLU 104 HN GLU 104 9.159 6.782 5.639 794 HA GLU 104 HA GLU 104 11.251 4.944 5.888 795 HB2 GLU 104 HB2 GLU 104 11.436 7.886 5.219 796 HB3 GLU 104 HB1 GLU 104 12.725 6.721 4.988 797 HG2 GLU 104 HG2 GLU 104 11.040 5.466 3.500 798 HG3 GLU 104 HG1 GLU 104 10.145 6.992 3.498 799 H ASN 105 HN ASN 105 10.781 8.040 7.522 800 HA ASN 105 HA ASN 105 13.146 7.937 9.059 801 HB2 ASN 105 HB2 ASN 105 11.952 10.022 8.588 802 HB3 ASN 105 HB1 ASN 105 10.576 9.463 9.530 803 HD21 ASN 105 HD21 ASN 105 13.958 9.029 10.431 804 HD22 ASN 105 HD22 ASN 105 13.898 10.063 11.816 805 H ALA 106 HN ALA 106 9.867 6.813 9.694 806 HA ALA 106 HA ALA 106 10.453 6.452 12.520 807 HB1 ALA 106 HB1 ALA 106 8.293 7.385 11.828 808 HB2 ALA 106 HB2 ALA 106 8.107 5.902 12.765 809 HB3 ALA 106 HB3 ALA 106 7.911 5.870 11.012 810 H ARG 107 HN ARG 107 9.872 4.451 9.675 811 HA ARG 107 HA ARG 107 9.766 2.071 11.363 812 HB2 ARG 107 HB2 ARG 107 9.347 2.312 8.384 813 HB3 ARG 107 HB1 ARG 107 9.026 0.890 9.360 814 HG2 ARG 107 HG2 ARG 107 7.590 3.535 9.505 815 HG3 ARG 107 HG1 ARG 107 6.963 2.022 8.852 816 HD2 ARG 107 HD2 ARG 107 7.698 2.564 11.734 817 HD3 ARG 107 HD1 ARG 107 6.071 2.418 11.078 818 HE ARG 107 HE ARG 107 7.952 0.157 10.949 819 HH11 ARG 107 HH11 ARG 107 4.899 1.535 11.985 820 HH12 ARG 107 HH12 ARG 107 4.260 0.017 12.530 821 HH21 ARG 107 HH21 ARG 107 7.121 -1.833 11.683 822 HH22 ARG 107 HH22 ARG 107 5.526 -1.899 12.361 823 H GLY 108 HN GLY 108 12.176 3.782 9.905 824 HA2 GLY 108 HA2 GLY 108 14.405 3.256 9.593 825 HA3 GLY 108 HA1 GLY 108 14.059 1.658 10.245 826 H VAL 109 HN VAL 109 12.770 3.340 7.432 827 HA VAL 109 HA VAL 109 13.680 1.103 5.744 828 HB VAL 109 HB VAL 109 11.020 2.550 5.621 829 HG11 VAL 109 HG11 VAL 109 10.457 1.090 3.754 830 HG12 VAL 109 HG12 VAL 109 12.076 0.398 3.796 831 HG13 VAL 109 HG13 VAL 109 11.855 2.093 3.369 832 HG21 VAL 109 HG21 VAL 109 11.655 -0.341 6.187 833 HG22 VAL 109 HG22 VAL 109 10.042 0.356 6.060 834 HG23 VAL 109 HG23 VAL 109 11.115 0.851 7.368 835 H ASP 110 HN ASP 110 14.512 1.694 3.724 836 HA ASP 110 HA ASP 110 14.381 4.552 3.056 837 HB2 ASP 110 HB2 ASP 110 16.594 3.896 4.152 838 HB3 ASP 110 HB1 ASP 110 16.910 2.938 2.702 839 H PHE 111 HN PHE 111 13.151 4.505 1.302 840 HA PHE 111 HA PHE 111 12.965 2.275 -0.437 841 HB2 PHE 111 HB2 PHE 111 11.922 5.096 -0.628 842 HB3 PHE 111 HB1 PHE 111 11.595 3.878 -1.855 843 HD1 PHE 111 HD2 PHE 111 11.265 4.511 1.796 844 HD2 PHE 111 HD1 PHE 111 9.780 2.454 -1.617 845 HE1 PHE 111 HE2 PHE 111 9.364 3.689 3.123 846 HE2 PHE 111 HE1 PHE 111 7.881 1.629 -0.300 847 HZ PHE 111 HZ PHE 111 7.669 2.244 2.076 848 H GLY 112 HN GLY 112 14.910 5.178 -0.508 849 HA2 GLY 112 HA2 GLY 112 15.595 4.988 -3.285 850 HA3 GLY 112 HA1 GLY 112 16.415 5.968 -2.076 851 H SER 113 HN SER 113 16.800 3.623 -0.338 852 HA SER 113 HA SER 113 19.197 2.612 -1.637 853 HB2 SER 113 HB2 SER 113 18.242 2.155 1.196 854 HB3 SER 113 HB1 SER 113 19.871 1.908 0.569 855 HG SER 113 HG SER 113 18.475 4.345 0.968 856 H ARG 114 HN ARG 114 15.999 1.689 -1.177 857 HA ARG 114 HA ARG 114 14.820 -0.180 -1.695 858 HB2 ARG 114 HB2 ARG 114 17.425 -1.124 -2.915 859 HB3 ARG 114 HB1 ARG 114 15.834 -1.824 -3.214 860 HG2 ARG 114 HG2 ARG 114 15.087 0.166 -4.304 861 HG3 ARG 114 HG1 ARG 114 16.550 1.033 -3.838 862 HD2 ARG 114 HD2 ARG 114 16.751 0.411 -6.135 863 HD3 ARG 114 HD1 ARG 114 17.861 -0.587 -5.200 864 HE ARG 114 HE ARG 114 16.130 -2.369 -5.372 865 HH11 ARG 114 HH11 ARG 114 16.256 0.208 -7.744 866 HH12 ARG 114 HH12 ARG 114 15.496 -0.730 -8.986 867 HH21 ARG 114 HH21 ARG 114 15.160 -3.611 -7.022 868 HH22 ARG 114 HH22 ARG 114 14.878 -2.896 -8.581 869 H THR 115 HN THR 115 16.489 0.035 0.785 870 HA THR 115 HA THR 115 16.382 -2.783 1.561 871 HB THR 115 HB THR 115 18.503 -2.199 2.982 872 HG1 THR 115 HG1 THR 115 18.953 -0.508 0.743 873 HG21 THR 115 HG21 THR 115 18.474 -3.937 1.274 874 HG22 THR 115 HG22 THR 115 19.966 -3.003 1.168 875 HG23 THR 115 HG23 THR 115 18.665 -2.720 0.012 876 H GLN 116 HN GLN 116 16.677 -2.930 4.051 877 HA GLN 116 HA GLN 116 15.617 -0.618 5.454 878 HB2 GLN 116 HB2 GLN 116 13.742 -1.912 6.418 879 HB3 GLN 116 HB1 GLN 116 13.594 -1.714 4.678 880 HG2 GLN 116 HG2 GLN 116 14.344 -3.974 4.308 881 HG3 GLN 116 HG1 GLN 116 14.645 -4.189 6.032 882 HE21 GLN 116 HE21 GLN 116 11.891 -2.435 4.853 883 HE22 GLN 116 HE22 GLN 116 10.704 -3.602 5.309 884 H ALA 117 HN ALA 117 15.822 -0.746 7.725 885 HA ALA 117 HA ALA 117 17.875 -2.648 8.581 886 HB1 ALA 117 HB1 ALA 117 18.278 -0.259 8.962 887 HB2 ALA 117 HB2 ALA 117 18.202 -1.157 10.477 888 HB3 ALA 117 HB3 ALA 117 16.829 -0.179 9.961 889 H ASP 118 HN ASP 118 14.737 -2.843 8.383 890 HA ASP 118 HA ASP 118 14.238 -3.835 11.102 891 HB2 ASP 118 HB2 ASP 118 12.628 -2.215 9.785 892 HB3 ASP 118 HB1 ASP 118 12.131 -3.689 8.958 893 H ALA 119 HN ALA 119 12.829 -5.883 11.113 894 HA ALA 119 HA ALA 119 14.105 -7.922 9.536 895 HB1 ALA 119 HB1 ALA 119 11.763 -8.077 11.442 896 HB2 ALA 119 HB2 ALA 119 13.452 -8.384 11.843 897 HB3 ALA 119 HB3 ALA 119 12.598 -9.461 10.737 898 H LEU 120 HN LEU 120 10.952 -6.358 9.697 899 HA LEU 120 HA LEU 120 10.326 -6.830 6.974 900 HB2 LEU 120 HB2 LEU 120 9.881 -9.091 7.809 901 HB3 LEU 120 HB1 LEU 120 8.876 -8.445 9.084 902 HG LEU 120 HG LEU 120 7.276 -7.638 7.368 903 HD11 LEU 120 HD11 LEU 120 8.758 -7.401 5.490 904 HD12 LEU 120 HD12 LEU 120 7.478 -8.545 5.091 905 HD13 LEU 120 HD13 LEU 120 9.091 -9.133 5.493 906 HD21 LEU 120 HD21 LEU 120 7.900 -10.584 7.270 907 HD22 LEU 120 HD22 LEU 120 6.366 -9.834 6.828 908 HD23 LEU 120 HD23 LEU 120 6.930 -9.768 8.497 909 H VAL 121 HN VAL 121 8.759 -5.287 6.378 910 HA VAL 121 HA VAL 121 7.777 -3.743 8.673 911 HB VAL 121 HB VAL 121 9.292 -2.419 7.342 912 HG11 VAL 121 HG11 VAL 121 7.444 -2.775 5.001 913 HG12 VAL 121 HG12 VAL 121 8.971 -3.629 5.203 914 HG13 VAL 121 HG13 VAL 121 8.956 -1.872 5.041 915 HG21 VAL 121 HG21 VAL 121 7.445 -1.248 8.381 916 HG22 VAL 121 HG22 VAL 121 6.429 -1.549 6.972 917 HG23 VAL 121 HG23 VAL 121 7.839 -0.501 6.833 918 H LEU 122 HN LEU 122 5.904 -4.656 9.089 919 HA LEU 122 HA LEU 122 3.855 -4.733 6.990 920 HB2 LEU 122 HB2 LEU 122 3.738 -5.815 9.813 921 HB3 LEU 122 HB1 LEU 122 2.568 -6.100 8.540 922 HG LEU 122 HG LEU 122 5.423 -7.097 8.543 923 HD11 LEU 122 HD11 LEU 122 4.058 -8.228 10.210 924 HD12 LEU 122 HD12 LEU 122 4.425 -9.302 8.862 925 HD13 LEU 122 HD13 LEU 122 2.829 -8.566 8.991 926 HD21 LEU 122 HD21 LEU 122 4.633 -6.697 6.289 927 HD22 LEU 122 HD22 LEU 122 3.153 -7.595 6.623 928 HD23 LEU 122 HD23 LEU 122 4.706 -8.429 6.606 929 H LEU 123 HN LEU 123 2.051 -3.395 7.118 930 HA LEU 123 HA LEU 123 2.049 -1.503 9.364 931 HB2 LEU 123 HB2 LEU 123 1.623 -0.774 6.462 932 HB3 LEU 123 HB1 LEU 123 1.473 0.323 7.820 933 HG LEU 123 HG LEU 123 4.003 -0.965 6.803 934 HD11 LEU 123 HD11 LEU 123 4.680 1.322 6.331 935 HD12 LEU 123 HD12 LEU 123 3.135 1.918 6.938 936 HD13 LEU 123 HD13 LEU 123 3.186 0.926 5.481 937 HD21 LEU 123 HD21 LEU 123 3.598 0.824 9.195 938 HD22 LEU 123 HD22 LEU 123 5.159 0.359 8.519 939 HD23 LEU 123 HD23 LEU 123 4.104 -0.865 9.223 940 H GLY 124 HN GLY 124 0.267 -2.082 10.414 941 HA2 GLY 124 HA2 GLY 124 -2.183 -2.542 8.837 942 HA3 GLY 124 HA1 GLY 124 -1.849 -3.303 10.385 943 H GLY 125 HN GLY 125 -4.213 -1.902 9.864 944 HA2 GLY 125 HA2 GLY 125 -5.555 -0.449 11.041 945 HA3 GLY 125 HA1 GLY 125 -4.170 -0.066 12.055 946 H LEU 126 HN LEU 126 -3.891 0.299 8.617 947 HA LEU 126 HA LEU 126 -3.525 3.144 8.945 948 HB2 LEU 126 HB2 LEU 126 -3.127 1.209 6.708 949 HB3 LEU 126 HB1 LEU 126 -3.285 2.914 6.327 950 HG LEU 126 HG LEU 126 -1.348 3.402 7.786 951 HD11 LEU 126 HD11 LEU 126 -1.580 1.478 9.300 952 HD12 LEU 126 HD12 LEU 126 0.039 1.612 8.623 953 HD13 LEU 126 HD13 LEU 126 -1.083 0.407 7.990 954 HD21 LEU 126 HD21 LEU 126 -1.048 3.056 5.390 955 HD22 LEU 126 HD22 LEU 126 -0.835 1.328 5.660 956 HD23 LEU 126 HD23 LEU 126 0.345 2.471 6.299 957 H ASP 127 HN ASP 127 -4.607 4.729 7.668 958 HA ASP 127 HA ASP 127 -7.325 3.989 6.808 959 HB2 ASP 127 HB2 ASP 127 -6.562 6.368 8.536 960 HB3 ASP 127 HB1 ASP 127 -8.143 6.153 7.791 961 H PHE 128 HN PHE 128 -8.274 6.069 5.637 962 HA PHE 128 HA PHE 128 -6.182 6.895 3.746 963 HB2 PHE 128 HB2 PHE 128 -9.153 6.524 3.419 964 HB3 PHE 128 HB1 PHE 128 -8.199 7.430 2.250 965 HD1 PHE 128 HD2 PHE 128 -8.877 4.124 3.669 966 HD2 PHE 128 HD1 PHE 128 -6.632 6.302 0.782 967 HE1 PHE 128 HE2 PHE 128 -8.281 2.017 2.544 968 HE2 PHE 128 HE1 PHE 128 -6.039 4.202 -0.347 969 HZ PHE 128 HZ PHE 128 -6.824 2.066 0.532 970 H GLU 129 HN GLU 129 -6.725 8.125 6.314 971 HA GLU 129 HA GLU 129 -7.867 10.715 5.659 972 HB2 GLU 129 HB2 GLU 129 -6.580 9.767 8.228 973 HB3 GLU 129 HB1 GLU 129 -7.509 11.241 8.009 974 HG2 GLU 129 HG2 GLU 129 -9.497 9.893 7.511 975 HG3 GLU 129 HG1 GLU 129 -8.555 8.432 7.801 976 H ALA 130 HN ALA 130 -6.693 12.633 5.639 977 HA ALA 130 HA ALA 130 -3.886 12.678 6.210 978 HB1 ALA 130 HB1 ALA 130 -3.124 13.281 3.977 979 HB2 ALA 130 HB2 ALA 130 -4.748 13.032 3.343 980 HB3 ALA 130 HB3 ALA 130 -3.836 11.668 3.983 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -31.208 -8.115 -2.508 2 H2 GLY 1 HT2 GLY 1 -31.282 -8.935 -1.032 3 H3 GLY 1 HT3 GLY 1 -32.151 -9.512 -2.363 4 HA2 GLY 1 HA1 GLY 1 -30.088 -9.973 -3.539 5 HA3 GLY 1 HA2 GLY 1 -29.198 -9.403 -2.135 6 H ALA 2 HN ALA 2 -28.191 -11.336 -1.640 7 HA ALA 2 HA ALA 2 -30.003 -13.425 -0.627 8 HB1 ALA 2 HB1 ALA 2 -28.986 -14.162 -2.748 9 HB2 ALA 2 HB2 ALA 2 -28.469 -15.151 -1.382 10 HB3 ALA 2 HB3 ALA 2 -27.386 -13.929 -2.045 11 H MET 3 HN MET 3 -28.694 -11.171 0.661 12 HA MET 3 HA MET 3 -27.508 -10.615 2.509 13 HB2 MET 3 HB2 MET 3 -27.899 -13.549 3.143 14 HB3 MET 3 HB1 MET 3 -27.297 -12.358 4.289 15 HG2 MET 3 HG2 MET 3 -30.017 -12.398 2.994 16 HG3 MET 3 HG1 MET 3 -29.639 -12.777 4.674 17 HE1 MET 3 HE1 MET 3 -31.442 -11.104 5.572 18 HE2 MET 3 HE2 MET 3 -31.905 -10.733 3.910 19 HE3 MET 3 HE3 MET 3 -31.578 -9.426 5.047 20 H GLY 4 HN GLY 4 -26.035 -11.155 0.205 21 HA2 GLY 4 HA2 GLY 4 -23.496 -11.972 1.415 22 HA3 GLY 4 HA1 GLY 4 -24.007 -12.759 -0.070 23 H MET 5 HN MET 5 -22.781 -9.846 1.362 24 HA MET 5 HA MET 5 -22.061 -8.930 -1.335 25 HB2 MET 5 HB2 MET 5 -22.544 -6.620 -0.761 26 HB3 MET 5 HB1 MET 5 -23.991 -7.600 -0.561 27 HG2 MET 5 HG2 MET 5 -23.658 -7.647 1.838 28 HG3 MET 5 HG1 MET 5 -22.162 -6.732 1.669 29 HE1 MET 5 HE1 MET 5 -26.370 -5.064 0.784 30 HE2 MET 5 HE2 MET 5 -26.040 -6.708 1.329 31 HE3 MET 5 HE3 MET 5 -25.565 -6.203 -0.293 32 H SER 6 HN SER 6 -21.002 -9.938 1.579 33 HA SER 6 HA SER 6 -19.044 -8.056 2.286 34 HB2 SER 6 HB2 SER 6 -19.839 -9.858 3.794 35 HB3 SER 6 HB1 SER 6 -18.997 -11.036 2.794 36 HG SER 6 HG SER 6 -17.988 -9.177 4.598 37 HA PRO 7 HA PRO 7 -15.920 -10.630 -0.389 38 HB2 PRO 7 HB2 PRO 7 -17.016 -12.139 -2.385 39 HB3 PRO 7 HB1 PRO 7 -16.561 -12.787 -0.808 40 HG2 PRO 7 HG2 PRO 7 -19.254 -11.948 -1.804 41 HG3 PRO 7 HG1 PRO 7 -18.808 -13.371 -0.843 42 HD2 PRO 7 HD2 PRO 7 -19.917 -11.182 0.272 43 HD3 PRO 7 HD1 PRO 7 -18.706 -12.161 1.126 44 H ASP 8 HN ASP 8 -18.848 -9.182 -1.446 45 HA ASP 8 HA ASP 8 -17.912 -8.405 -4.051 46 HB2 ASP 8 HB2 ASP 8 -20.345 -7.752 -2.432 47 HB3 ASP 8 HB1 ASP 8 -19.931 -6.746 -3.815 48 H THR 9 HN THR 9 -18.204 -6.826 -0.888 49 HA THR 9 HA THR 9 -17.256 -4.296 -1.722 50 HB THR 9 HB THR 9 -17.039 -5.599 0.999 51 HG1 THR 9 HG1 THR 9 -18.963 -3.972 1.147 52 HG21 THR 9 HG21 THR 9 -16.927 -3.295 1.845 53 HG22 THR 9 HG22 THR 9 -16.936 -2.689 0.188 54 HG23 THR 9 HG23 THR 9 -15.575 -3.648 0.769 55 H ALA 10 HN ALA 10 -15.669 -7.165 -0.445 56 HA ALA 10 HA ALA 10 -13.054 -6.144 -0.335 57 HB1 ALA 10 HB1 ALA 10 -13.908 -8.998 -0.786 58 HB2 ALA 10 HB2 ALA 10 -13.782 -8.210 0.786 59 HB3 ALA 10 HB3 ALA 10 -12.339 -8.451 -0.199 60 H ARG 11 HN ARG 11 -14.835 -7.816 -2.881 61 HA ARG 11 HA ARG 11 -12.655 -8.004 -4.693 62 HB2 ARG 11 HB2 ARG 11 -14.614 -9.495 -4.767 63 HB3 ARG 11 HB1 ARG 11 -15.621 -8.137 -5.243 64 HG2 ARG 11 HG2 ARG 11 -14.392 -7.917 -7.319 65 HG3 ARG 11 HG1 ARG 11 -13.308 -9.224 -6.834 66 HD2 ARG 11 HD2 ARG 11 -15.225 -10.757 -6.748 67 HD3 ARG 11 HD1 ARG 11 -16.282 -9.449 -7.276 68 HE ARG 11 HE ARG 11 -14.186 -9.756 -9.126 69 HH11 ARG 11 HH11 ARG 11 -17.068 -11.381 -8.003 70 HH12 ARG 11 HH12 ARG 11 -17.358 -12.188 -9.511 71 HH21 ARG 11 HH21 ARG 11 -14.578 -10.810 -11.132 72 HH22 ARG 11 HH22 ARG 11 -15.945 -11.869 -11.281 73 H ARG 12 HN ARG 12 -15.263 -5.673 -4.255 74 HA ARG 12 HA ARG 12 -14.792 -4.173 -6.591 75 HB2 ARG 12 HB2 ARG 12 -16.141 -3.550 -3.980 76 HB3 ARG 12 HB1 ARG 12 -15.941 -2.306 -5.209 77 HG2 ARG 12 HG2 ARG 12 -17.211 -3.607 -6.793 78 HG3 ARG 12 HG1 ARG 12 -17.322 -4.946 -5.650 79 HD2 ARG 12 HD2 ARG 12 -18.450 -2.193 -5.152 80 HD3 ARG 12 HD1 ARG 12 -19.380 -3.537 -5.807 81 HE ARG 12 HE ARG 12 -18.075 -4.137 -3.316 82 HH11 ARG 12 HH11 ARG 12 -20.940 -2.811 -4.817 83 HH12 ARG 12 HH12 ARG 12 -21.948 -3.073 -3.427 84 HH21 ARG 12 HH21 ARG 12 -19.409 -4.465 -1.457 85 HH22 ARG 12 HH22 ARG 12 -21.075 -3.991 -1.521 86 H PHE 13 HN PHE 13 -13.525 -3.879 -3.299 87 HA PHE 13 HA PHE 13 -11.894 -1.623 -3.795 88 HB2 PHE 13 HB2 PHE 13 -12.419 -2.367 -1.523 89 HB3 PHE 13 HB1 PHE 13 -11.569 -3.878 -1.796 90 HD1 PHE 13 HD1 PHE 13 -11.157 -0.244 -1.330 91 HD2 PHE 13 HD2 PHE 13 -9.210 -4.021 -1.580 92 HE1 PHE 13 HE1 PHE 13 -9.087 0.768 -0.468 93 HE2 PHE 13 HE2 PHE 13 -7.139 -3.017 -0.718 94 HZ PHE 13 HZ PHE 13 -7.075 -0.621 -0.160 95 H ASP 14 HN ASP 14 -11.410 -5.076 -4.101 96 HA ASP 14 HA ASP 14 -8.684 -5.143 -4.696 97 HB2 ASP 14 HB2 ASP 14 -9.869 -7.142 -4.084 98 HB3 ASP 14 HB1 ASP 14 -10.950 -6.988 -5.462 99 H THR 15 HN THR 15 -11.455 -4.568 -6.771 100 HA THR 15 HA THR 15 -9.736 -4.715 -9.129 101 HB THR 15 HB THR 15 -11.860 -5.926 -9.262 102 HG1 THR 15 HG1 THR 15 -11.675 -3.678 -11.015 103 HG21 THR 15 HG21 THR 15 -13.981 -4.690 -9.488 104 HG22 THR 15 HG22 THR 15 -13.144 -3.204 -9.036 105 HG23 THR 15 HG23 THR 15 -13.278 -4.528 -7.881 106 H GLU 16 HN GLU 16 -11.665 -2.333 -7.352 107 HA GLU 16 HA GLU 16 -11.261 -0.398 -9.491 108 HB2 GLU 16 HB2 GLU 16 -13.468 -0.790 -8.234 109 HB3 GLU 16 HB1 GLU 16 -12.729 0.109 -6.916 110 HG2 GLU 16 HG2 GLU 16 -13.983 1.685 -8.095 111 HG3 GLU 16 HG1 GLU 16 -12.316 1.954 -8.611 112 H PHE 17 HN PHE 17 -10.258 -0.879 -6.128 113 HA PHE 17 HA PHE 17 -9.025 1.784 -6.202 114 HB2 PHE 17 HB2 PHE 17 -9.836 0.034 -3.884 115 HB3 PHE 17 HB1 PHE 17 -8.875 1.495 -3.690 116 HD1 PHE 17 HD2 PHE 17 -12.194 0.171 -4.595 117 HD2 PHE 17 HD1 PHE 17 -9.856 3.670 -3.933 118 HE1 PHE 17 HE2 PHE 17 -14.243 1.525 -4.533 119 HE2 PHE 17 HE1 PHE 17 -11.906 5.027 -3.874 120 HZ PHE 17 HZ PHE 17 -14.100 3.957 -4.173 121 H ALA 18 HN ALA 18 -8.251 -1.563 -5.224 122 HA ALA 18 HA ALA 18 -5.724 -1.037 -4.217 123 HB1 ALA 18 HB1 ALA 18 -6.990 -3.130 -3.888 124 HB2 ALA 18 HB2 ALA 18 -5.302 -3.384 -4.323 125 HB3 ALA 18 HB3 ALA 18 -6.566 -3.605 -5.531 126 HA PRO 19 HA PRO 19 -3.822 -2.179 -8.604 127 HB2 PRO 19 HB2 PRO 19 -5.980 -1.038 -10.310 128 HB3 PRO 19 HB1 PRO 19 -4.953 -2.454 -10.589 129 HG2 PRO 19 HG2 PRO 19 -7.481 -2.774 -9.885 130 HG3 PRO 19 HG1 PRO 19 -6.219 -3.807 -9.186 131 HD2 PRO 19 HD2 PRO 19 -7.614 -1.440 -7.981 132 HD3 PRO 19 HD1 PRO 19 -7.205 -3.000 -7.240 133 H ARG 20 HN ARG 20 -5.920 0.615 -8.107 134 HA ARG 20 HA ARG 20 -4.261 2.398 -9.611 135 HB2 ARG 20 HB2 ARG 20 -6.640 2.761 -7.825 136 HB3 ARG 20 HB1 ARG 20 -5.676 4.159 -8.280 137 HG2 ARG 20 HG2 ARG 20 -7.525 3.978 -9.784 138 HG3 ARG 20 HG1 ARG 20 -6.047 3.585 -10.661 139 HD2 ARG 20 HD2 ARG 20 -6.559 1.172 -10.295 140 HD3 ARG 20 HD1 ARG 20 -8.103 1.656 -9.596 141 HE ARG 20 HE ARG 20 -7.309 2.168 -12.395 142 HH11 ARG 20 HH11 ARG 20 -9.758 1.544 -9.971 143 HH12 ARG 20 HH12 ARG 20 -11.050 1.397 -11.128 144 HH21 ARG 20 HH21 ARG 20 -9.002 1.977 -13.913 145 HH22 ARG 20 HH22 ARG 20 -10.617 1.656 -13.368 146 H ILE 21 HN ILE 21 -4.546 1.461 -6.252 147 HA ILE 21 HA ILE 21 -2.793 3.414 -5.185 148 HB ILE 21 HB ILE 21 -3.374 0.621 -4.173 149 HG12 ILE 21 HG12 ILE 21 -4.577 3.270 -3.351 150 HG13 ILE 21 HG11 ILE 21 -5.371 2.090 -4.386 151 HG21 ILE 21 HG21 ILE 21 -1.300 1.583 -3.250 152 HG22 ILE 21 HG22 ILE 21 -2.549 1.386 -2.022 153 HG23 ILE 21 HG23 ILE 21 -2.216 2.983 -2.692 154 HD11 ILE 21 HD11 ILE 21 -4.597 1.705 -1.500 155 HD12 ILE 21 HD12 ILE 21 -5.321 0.471 -2.531 156 HD13 ILE 21 HD13 ILE 21 -6.226 1.934 -2.137 157 H ALA 22 HN ALA 22 -2.326 0.095 -6.312 158 HA ALA 22 HA ALA 22 0.371 -0.183 -5.671 159 HB1 ALA 22 HB1 ALA 22 -1.119 -1.475 -7.950 160 HB2 ALA 22 HB2 ALA 22 -1.113 -2.044 -6.280 161 HB3 ALA 22 HB3 ALA 22 0.380 -2.049 -7.222 162 H ARG 23 HN ARG 23 -1.121 0.936 -8.696 163 HA ARG 23 HA ARG 23 1.367 1.211 -10.048 164 HB2 ARG 23 HB2 ARG 23 -1.340 2.393 -10.682 165 HB3 ARG 23 HB1 ARG 23 0.050 2.439 -11.757 166 HG2 ARG 23 HG2 ARG 23 -1.405 -0.021 -10.806 167 HG3 ARG 23 HG1 ARG 23 -1.448 0.676 -12.426 168 HD2 ARG 23 HD2 ARG 23 0.960 -0.512 -11.049 169 HD3 ARG 23 HD1 ARG 23 0.041 -1.245 -12.360 170 HE ARG 23 HE ARG 23 0.811 1.089 -13.448 171 HH11 ARG 23 HH11 ARG 23 2.599 -1.375 -11.709 172 HH12 ARG 23 HH12 ARG 23 4.074 -1.097 -12.580 173 HH21 ARG 23 HH21 ARG 23 2.755 1.452 -14.591 174 HH22 ARG 23 HH22 ARG 23 4.157 0.495 -14.232 175 H ALA 24 HN ALA 24 -0.662 3.413 -8.194 176 HA ALA 24 HA ALA 24 0.652 5.803 -8.889 177 HB1 ALA 24 HB1 ALA 24 -1.521 5.767 -7.761 178 HB2 ALA 24 HB2 ALA 24 -0.352 6.746 -6.877 179 HB3 ALA 24 HB3 ALA 24 -0.755 5.127 -6.307 180 H ILE 25 HN ILE 25 1.156 3.529 -6.228 181 HA ILE 25 HA ILE 25 3.291 4.889 -5.008 182 HB ILE 25 HB ILE 25 2.665 1.931 -4.994 183 HG12 ILE 25 HG12 ILE 25 1.960 4.128 -3.028 184 HG13 ILE 25 HG11 ILE 25 0.838 3.353 -4.141 185 HG21 ILE 25 HG21 ILE 25 4.959 2.297 -4.323 186 HG22 ILE 25 HG22 ILE 25 3.989 1.885 -2.908 187 HG23 ILE 25 HG23 ILE 25 4.461 3.559 -3.197 188 HD11 ILE 25 HD11 ILE 25 1.184 1.223 -2.997 189 HD12 ILE 25 HD12 ILE 25 0.600 2.471 -1.896 190 HD13 ILE 25 HD13 ILE 25 2.302 2.009 -1.882 191 H ALA 26 HN ALA 26 3.244 2.317 -7.451 192 HA ALA 26 HA ALA 26 5.998 1.867 -7.614 193 HB1 ALA 26 HB1 ALA 26 5.540 0.885 -9.804 194 HB2 ALA 26 HB2 ALA 26 3.934 1.614 -9.798 195 HB3 ALA 26 HB3 ALA 26 4.345 0.375 -8.612 196 H ASP 27 HN ASP 27 3.939 4.187 -9.277 197 HA ASP 27 HA ASP 27 5.987 5.255 -10.942 198 HB2 ASP 27 HB2 ASP 27 3.644 5.497 -11.549 199 HB3 ASP 27 HB1 ASP 27 3.327 6.406 -10.076 200 H LEU 28 HN LEU 28 4.733 6.032 -7.766 201 HA LEU 28 HA LEU 28 5.959 8.569 -7.502 202 HB2 LEU 28 HB2 LEU 28 4.078 7.844 -6.096 203 HB3 LEU 28 HB1 LEU 28 5.081 6.595 -5.387 204 HG LEU 28 HG LEU 28 6.574 8.441 -4.510 205 HD11 LEU 28 HD11 LEU 28 5.904 10.238 -5.964 206 HD12 LEU 28 HD12 LEU 28 5.514 10.662 -4.299 207 HD13 LEU 28 HD13 LEU 28 4.240 10.128 -5.393 208 HD21 LEU 28 HD21 LEU 28 3.710 8.317 -3.577 209 HD22 LEU 28 HD22 LEU 28 5.057 8.964 -2.641 210 HD23 LEU 28 HD23 LEU 28 5.022 7.253 -3.073 211 H LEU 29 HN LEU 29 6.914 5.296 -6.650 212 HA LEU 29 HA LEU 29 9.365 6.101 -5.400 213 HB2 LEU 29 HB2 LEU 29 8.520 3.368 -6.365 214 HB3 LEU 29 HB1 LEU 29 9.836 3.714 -5.258 215 HG LEU 29 HG LEU 29 6.900 4.133 -4.726 216 HD11 LEU 29 HD11 LEU 29 7.518 1.807 -4.653 217 HD12 LEU 29 HD12 LEU 29 7.249 2.398 -3.013 218 HD13 LEU 29 HD13 LEU 29 8.892 2.173 -3.611 219 HD21 LEU 29 HD21 LEU 29 9.314 4.747 -3.041 220 HD22 LEU 29 HD22 LEU 29 7.674 4.641 -2.405 221 HD23 LEU 29 HD23 LEU 29 8.078 5.872 -3.601 222 H ASN 30 HN ASN 30 8.637 6.493 -8.447 223 HA ASN 30 HA ASN 30 9.790 6.740 -10.385 224 HB2 ASN 30 HB2 ASN 30 12.150 6.434 -8.515 225 HB3 ASN 30 HB1 ASN 30 12.328 6.790 -10.227 226 HD21 ASN 30 HD21 ASN 30 11.843 8.828 -10.976 227 HD22 ASN 30 HD22 ASN 30 11.550 10.168 -9.924 228 H HIS 31 HN HIS 31 8.868 4.109 -9.577 229 HA HIS 31 HA HIS 31 8.992 1.926 -10.191 230 HB2 HIS 31 HB2 HIS 31 10.619 3.144 -12.426 231 HB3 HIS 31 HB1 HIS 31 10.194 1.437 -12.373 232 HD1 HIS 31 HD1 HIS 31 7.660 0.835 -12.642 233 HD2 HIS 31 HD2 HIS 31 8.582 4.849 -13.246 234 HE1 HIS 31 HE1 HIS 31 5.643 1.837 -13.768 235 HE2 HIS 31 HE2 HIS 31 6.247 4.246 -14.181 236 H ARG 32 HN ARG 32 10.886 2.827 -8.238 237 HA ARG 32 HA ARG 32 13.206 1.125 -8.761 238 HB2 ARG 32 HB2 ARG 32 12.582 3.123 -6.587 239 HB3 ARG 32 HB1 ARG 32 13.985 2.063 -6.523 240 HG2 ARG 32 HG2 ARG 32 14.854 3.032 -8.561 241 HG3 ARG 32 HG1 ARG 32 13.413 4.034 -8.731 242 HD2 ARG 32 HD2 ARG 32 15.261 4.160 -6.360 243 HD3 ARG 32 HD1 ARG 32 15.436 5.184 -7.784 244 HE ARG 32 HE ARG 32 12.803 5.374 -6.761 245 HH11 ARG 32 HH11 ARG 32 16.087 6.328 -6.041 246 HH12 ARG 32 HH12 ARG 32 15.629 7.796 -5.240 247 HH21 ARG 32 HH21 ARG 32 12.186 7.328 -5.695 248 HH22 ARG 32 HH22 ARG 32 13.414 8.366 -5.049 249 H ALA 33 HN ALA 33 10.207 0.651 -7.814 250 HA ALA 33 HA ALA 33 10.892 -1.717 -6.294 251 HB1 ALA 33 HB1 ALA 33 10.514 -0.036 -4.560 252 HB2 ALA 33 HB2 ALA 33 9.246 -1.263 -4.545 253 HB3 ALA 33 HB3 ALA 33 8.931 0.322 -5.249 254 H HIS 34 HN HIS 34 9.221 -3.281 -6.291 255 HA HIS 34 HA HIS 34 7.253 -2.878 -8.447 256 HB2 HIS 34 HB2 HIS 34 8.823 -4.641 -9.000 257 HB3 HIS 34 HB1 HIS 34 8.616 -5.386 -7.420 258 HD1 HIS 34 HD1 HIS 34 6.958 -5.065 -10.768 259 HD2 HIS 34 HD2 HIS 34 6.359 -6.995 -7.136 260 HE1 HIS 34 HE1 HIS 34 5.147 -6.758 -11.190 261 HE2 HIS 34 HE2 HIS 34 4.667 -7.771 -8.926 262 H THR 35 HN THR 35 5.140 -3.023 -7.967 263 HA THR 35 HA THR 35 4.458 -3.829 -5.219 264 HB THR 35 HB THR 35 2.458 -2.369 -5.472 265 HG1 THR 35 HG1 THR 35 2.809 -0.745 -7.283 266 HG21 THR 35 HG21 THR 35 4.575 -1.594 -4.409 267 HG22 THR 35 HG22 THR 35 3.632 -0.288 -5.129 268 HG23 THR 35 HG23 THR 35 5.058 -0.911 -5.961 269 H ASP 36 HN ASP 36 2.740 -5.204 -4.875 270 HA ASP 36 HA ASP 36 1.480 -6.345 -7.279 271 HB2 ASP 36 HB2 ASP 36 2.512 -7.839 -4.860 272 HB3 ASP 36 HB1 ASP 36 1.420 -8.551 -6.039 273 H VAL 37 HN VAL 37 -0.658 -6.574 -7.215 274 HA VAL 37 HA VAL 37 -2.077 -5.641 -4.862 275 HB VAL 37 HB VAL 37 -3.173 -6.562 -7.528 276 HG11 VAL 37 HG11 VAL 37 -4.504 -5.032 -5.295 277 HG12 VAL 37 HG12 VAL 37 -4.802 -6.719 -5.710 278 HG13 VAL 37 HG13 VAL 37 -5.231 -5.443 -6.848 279 HG21 VAL 37 HG21 VAL 37 -3.450 -4.183 -8.029 280 HG22 VAL 37 HG22 VAL 37 -1.755 -4.597 -7.784 281 HG23 VAL 37 HG23 VAL 37 -2.654 -3.767 -6.511 282 H VAL 38 HN VAL 38 -1.918 -7.212 -3.334 283 HA VAL 38 HA VAL 38 -2.377 -9.983 -3.912 284 HB VAL 38 HB VAL 38 -2.304 -8.565 -1.241 285 HG11 VAL 38 HG11 VAL 38 -3.422 -10.687 -1.058 286 HG12 VAL 38 HG12 VAL 38 -1.814 -10.812 -0.347 287 HG13 VAL 38 HG13 VAL 38 -2.125 -11.485 -1.944 288 HG21 VAL 38 HG21 VAL 38 -0.213 -8.277 -2.441 289 HG22 VAL 38 HG22 VAL 38 -0.126 -10.013 -2.741 290 HG23 VAL 38 HG23 VAL 38 0.002 -9.396 -1.095 291 H GLY 39 HN GLY 39 -4.297 -10.880 -4.176 292 HA2 GLY 39 HA2 GLY 39 -6.668 -9.307 -3.837 293 HA3 GLY 39 HA1 GLY 39 -6.584 -10.954 -4.449 294 H TYR 40 HN TYR 40 -8.602 -10.139 -2.777 295 HA TYR 40 HA TYR 40 -8.157 -10.694 -0.046 296 HB2 TYR 40 HB2 TYR 40 -10.155 -9.504 -0.933 297 HB3 TYR 40 HB1 TYR 40 -10.705 -11.013 -1.658 298 HD1 TYR 40 HD1 TYR 40 -9.988 -9.361 1.590 299 HD2 TYR 40 HD2 TYR 40 -11.967 -12.567 -0.394 300 HE1 TYR 40 HE1 TYR 40 -11.196 -9.894 3.667 301 HE2 TYR 40 HE2 TYR 40 -13.180 -13.102 1.677 302 HH TYR 40 HH TYR 40 -12.937 -12.782 4.090 303 H GLY 41 HN GLY 41 -7.491 -12.555 0.762 304 HA2 GLY 41 HA2 GLY 41 -7.813 -15.004 -0.786 305 HA3 GLY 41 HA1 GLY 41 -6.814 -14.799 0.651 306 H GLY 42 HN GLY 42 -8.993 -13.563 2.164 307 HA2 GLY 42 HA2 GLY 42 -11.348 -14.739 2.457 308 HA3 GLY 42 HA1 GLY 42 -10.281 -16.041 2.981 309 H HIS 43 HN HIS 43 -11.453 -15.782 5.042 310 HA HIS 43 HA HIS 43 -11.291 -13.446 6.580 311 HB2 HIS 43 HB2 HIS 43 -11.688 -14.968 8.550 312 HB3 HIS 43 HB1 HIS 43 -12.864 -15.116 7.251 313 HD1 HIS 43 HD1 HIS 43 -13.146 -17.385 6.192 314 HD2 HIS 43 HD2 HIS 43 -9.890 -17.216 8.776 315 HE1 HIS 43 HE1 HIS 43 -12.358 -19.756 6.446 316 HE2 HIS 43 HE2 HIS 43 -10.288 -19.603 7.869 317 H GLY 44 HN GLY 44 -9.606 -12.448 7.399 318 HA2 GLY 44 HA2 GLY 44 -7.719 -12.330 8.818 319 HA3 GLY 44 HA1 GLY 44 -7.399 -14.025 8.499 320 H HIS 45 HN HIS 45 -8.066 -12.848 5.557 321 HA HIS 45 HA HIS 45 -5.380 -11.773 5.072 322 HB2 HIS 45 HB2 HIS 45 -5.385 -14.251 4.609 323 HB3 HIS 45 HB1 HIS 45 -6.594 -13.961 3.365 324 HD1 HIS 45 HD1 HIS 45 -2.957 -13.675 4.061 325 HD2 HIS 45 HD2 HIS 45 -5.621 -12.687 1.029 326 HE1 HIS 45 HE1 HIS 45 -1.534 -13.112 2.070 327 HE2 HIS 45 HE2 HIS 45 -3.176 -12.744 0.200 328 HA PRO 46 HA PRO 46 -8.586 -9.319 2.936 329 HB2 PRO 46 HB2 PRO 46 -7.683 -6.898 3.674 330 HB3 PRO 46 HB1 PRO 46 -8.603 -7.921 4.792 331 HG2 PRO 46 HG2 PRO 46 -5.652 -7.450 4.632 332 HG3 PRO 46 HG1 PRO 46 -6.691 -7.577 6.064 333 HD2 PRO 46 HD2 PRO 46 -5.127 -9.624 5.071 334 HD3 PRO 46 HD1 PRO 46 -6.557 -9.854 6.095 335 H THR 47 HN THR 47 -8.370 -7.622 1.253 336 HA THR 47 HA THR 47 -6.266 -8.054 -0.563 337 HB THR 47 HB THR 47 -8.079 -5.632 -0.442 338 HG1 THR 47 HG1 THR 47 -9.080 -7.311 -2.147 339 HG21 THR 47 HG21 THR 47 -6.227 -5.472 -2.056 340 HG22 THR 47 HG22 THR 47 -7.780 -5.604 -2.879 341 HG23 THR 47 HG23 THR 47 -6.720 -7.007 -2.772 342 H GLN 48 HN GLN 48 -4.331 -7.057 -0.783 343 HA GLN 48 HA GLN 48 -3.679 -4.676 0.711 344 HB2 GLN 48 HB2 GLN 48 -1.847 -5.782 1.998 345 HB3 GLN 48 HB1 GLN 48 -3.457 -6.275 2.498 346 HG2 GLN 48 HG2 GLN 48 -3.131 -8.294 0.978 347 HG3 GLN 48 HG1 GLN 48 -1.429 -7.833 0.932 348 HE21 GLN 48 HE21 GLN 48 -0.747 -9.702 2.009 349 HE22 GLN 48 HE22 GLN 48 -1.061 -9.966 3.687 350 H VAL 49 HN VAL 49 -1.629 -3.796 0.115 351 HA VAL 49 HA VAL 49 -0.613 -5.004 -2.366 352 HB VAL 49 HB VAL 49 -1.681 -2.866 -2.805 353 HG11 VAL 49 HG11 VAL 49 -0.768 -0.771 -1.904 354 HG12 VAL 49 HG12 VAL 49 0.308 -1.702 -0.861 355 HG13 VAL 49 HG13 VAL 49 -1.439 -1.802 -0.639 356 HG21 VAL 49 HG21 VAL 49 1.322 -2.703 -3.011 357 HG22 VAL 49 HG22 VAL 49 0.173 -1.734 -3.933 358 HG23 VAL 49 HG23 VAL 49 0.238 -3.482 -4.163 359 H ARG 50 HN ARG 50 1.323 -5.816 -2.266 360 HA ARG 50 HA ARG 50 3.107 -5.011 -0.102 361 HB2 ARG 50 HB2 ARG 50 4.422 -6.972 -0.616 362 HB3 ARG 50 HB1 ARG 50 2.732 -7.432 -0.493 363 HG2 ARG 50 HG2 ARG 50 2.542 -7.552 -2.888 364 HG3 ARG 50 HG1 ARG 50 4.187 -6.944 -3.083 365 HD2 ARG 50 HD2 ARG 50 5.000 -8.943 -1.842 366 HD3 ARG 50 HD1 ARG 50 3.348 -9.558 -1.840 367 HE ARG 50 HE ARG 50 4.280 -8.911 -4.476 368 HH11 ARG 50 HH11 ARG 50 4.383 -11.373 -1.976 369 HH12 ARG 50 HH12 ARG 50 4.640 -12.669 -3.097 370 HH21 ARG 50 HH21 ARG 50 4.624 -10.609 -5.933 371 HH22 ARG 50 HH22 ARG 50 4.776 -12.237 -5.352 372 H ILE 51 HN ILE 51 4.961 -3.945 -0.377 373 HA ILE 51 HA ILE 51 5.727 -3.225 -3.125 374 HB ILE 51 HB ILE 51 6.478 -1.735 -0.602 375 HG12 ILE 51 HG12 ILE 51 4.276 -1.053 -2.565 376 HG13 ILE 51 HG11 ILE 51 4.008 -1.728 -0.962 377 HG21 ILE 51 HG21 ILE 51 6.579 -0.966 -3.518 378 HG22 ILE 51 HG22 ILE 51 7.961 -1.399 -2.513 379 HG23 ILE 51 HG23 ILE 51 7.042 0.066 -2.167 380 HD11 ILE 51 HD11 ILE 51 5.295 0.925 -1.559 381 HD12 ILE 51 HD12 ILE 51 4.990 0.255 0.041 382 HD13 ILE 51 HD13 ILE 51 3.640 0.675 -1.007 383 H VAL 52 HN VAL 52 7.381 -4.413 -3.771 384 HA VAL 52 HA VAL 52 9.452 -5.146 -1.811 385 HB VAL 52 HB VAL 52 8.728 -6.621 -4.357 386 HG11 VAL 52 HG11 VAL 52 11.085 -6.850 -3.731 387 HG12 VAL 52 HG12 VAL 52 10.213 -8.370 -3.544 388 HG13 VAL 52 HG13 VAL 52 10.605 -7.403 -2.125 389 HG21 VAL 52 HG21 VAL 52 6.957 -6.831 -2.693 390 HG22 VAL 52 HG22 VAL 52 8.136 -7.353 -1.489 391 HG23 VAL 52 HG23 VAL 52 7.811 -8.360 -2.901 392 H ALA 53 HN ALA 53 11.466 -4.469 -2.205 393 HA ALA 53 HA ALA 53 11.976 -3.214 -4.821 394 HB1 ALA 53 HB1 ALA 53 11.759 -1.592 -2.943 395 HB2 ALA 53 HB2 ALA 53 13.325 -1.546 -3.750 396 HB3 ALA 53 HB3 ALA 53 13.163 -2.348 -2.190 397 HA PRO 54 HA PRO 54 15.129 -6.493 -4.831 398 HB2 PRO 54 HB2 PRO 54 15.546 -5.333 -7.530 399 HB3 PRO 54 HB1 PRO 54 15.271 -7.018 -7.061 400 HG2 PRO 54 HG2 PRO 54 13.363 -5.600 -8.277 401 HG3 PRO 54 HG1 PRO 54 12.970 -6.760 -6.996 402 HD2 PRO 54 HD2 PRO 54 13.145 -3.771 -6.857 403 HD3 PRO 54 HD1 PRO 54 11.964 -4.867 -6.107 404 H HIS 55 HN HIS 55 16.801 -5.808 -3.600 405 HA HIS 55 HA HIS 55 17.899 -3.198 -3.869 406 HB2 HIS 55 HB2 HIS 55 19.405 -3.784 -2.066 407 HB3 HIS 55 HB1 HIS 55 17.791 -4.357 -1.685 408 HD1 HIS 55 HD1 HIS 55 17.436 -6.997 -1.819 409 HD2 HIS 55 HD2 HIS 55 21.372 -5.702 -2.104 410 HE1 HIS 55 HE1 HIS 55 18.848 -9.022 -1.367 411 HE2 HIS 55 HE2 HIS 55 21.211 -8.159 -1.325 412 H ALA 56 HN ALA 56 19.135 -2.598 -5.474 413 HA ALA 56 HA ALA 56 20.838 -4.431 -6.893 414 HB1 ALA 56 HB1 ALA 56 19.722 -2.568 -8.047 415 HB2 ALA 56 HB2 ALA 56 21.475 -2.501 -8.225 416 HB3 ALA 56 HB3 ALA 56 20.664 -1.424 -7.090 417 H GLU 57 HN GLU 57 21.097 -2.042 -4.407 418 HA GLU 57 HA GLU 57 23.936 -1.937 -4.254 419 HB2 GLU 57 HB2 GLU 57 22.531 -0.145 -3.360 420 HB3 GLU 57 HB1 GLU 57 21.780 -1.265 -2.237 421 HG2 GLU 57 HG2 GLU 57 23.441 0.186 -1.170 422 HG3 GLU 57 HG1 GLU 57 23.844 -1.526 -1.035 423 H HIS 58 HN HIS 58 25.214 -3.541 -3.588 424 HA HIS 58 HA HIS 58 24.219 -5.308 -1.460 425 HB2 HIS 58 HB2 HIS 58 25.233 -7.264 -2.545 426 HB3 HIS 58 HB1 HIS 58 23.982 -6.547 -3.550 427 HD1 HIS 58 HD1 HIS 58 27.679 -7.128 -3.392 428 HD2 HIS 58 HD2 HIS 58 24.870 -5.498 -5.987 429 HE1 HIS 58 HE1 HIS 58 28.874 -6.827 -5.583 430 HE2 HIS 58 HE2 HIS 58 27.181 -5.749 -7.107 431 H VAL 59 HN VAL 59 26.265 -3.008 -1.953 432 HA VAL 59 HA VAL 59 28.499 -4.349 -0.563 433 HB VAL 59 HB VAL 59 28.570 -1.737 -2.093 434 HG11 VAL 59 HG11 VAL 59 30.173 -1.767 -0.279 435 HG12 VAL 59 HG12 VAL 59 31.012 -1.926 -1.823 436 HG13 VAL 59 HG13 VAL 59 30.770 -3.341 -0.800 437 HG21 VAL 59 HG21 VAL 59 28.289 -3.617 -3.607 438 HG22 VAL 59 HG22 VAL 59 29.640 -4.455 -2.845 439 HG23 VAL 59 HG23 VAL 59 29.921 -2.962 -3.740 440 H ARG 60 HN ARG 60 26.280 -1.663 -0.604 441 HA ARG 60 HA ARG 60 27.085 -0.976 2.151 442 HB2 ARG 60 HB2 ARG 60 25.865 0.814 0.033 443 HB3 ARG 60 HB1 ARG 60 26.234 1.304 1.678 444 HG2 ARG 60 HG2 ARG 60 28.275 0.370 -0.332 445 HG3 ARG 60 HG1 ARG 60 27.896 2.056 0.017 446 HD2 ARG 60 HD2 ARG 60 28.955 0.044 2.002 447 HD3 ARG 60 HD1 ARG 60 29.899 1.305 1.212 448 HE ARG 60 HE ARG 60 27.636 2.359 2.604 449 HH11 ARG 60 HH11 ARG 60 30.936 1.262 2.984 450 HH12 ARG 60 HH12 ARG 60 31.203 2.168 4.438 451 HH21 ARG 60 HH21 ARG 60 27.989 3.559 4.518 452 HH22 ARG 60 HH22 ARG 60 29.533 3.472 5.308 453 H GLY 61 HN GLY 61 25.079 0.339 3.163 454 HA2 GLY 61 HA2 GLY 61 22.801 0.458 3.624 455 HA3 GLY 61 HA1 GLY 61 22.504 -0.687 2.324 456 H TYR 62 HN TYR 62 20.977 -1.562 3.910 457 HA TYR 62 HA TYR 62 22.264 -3.208 5.976 458 HB2 TYR 62 HB2 TYR 62 19.362 -2.400 5.609 459 HB3 TYR 62 HB1 TYR 62 19.934 -3.497 6.866 460 HD1 TYR 62 HD1 TYR 62 19.890 -0.004 5.711 461 HD2 TYR 62 HD2 TYR 62 21.158 -2.666 8.786 462 HE1 TYR 62 HE1 TYR 62 20.360 1.914 7.175 463 HE2 TYR 62 HE2 TYR 62 21.630 -0.751 10.252 464 HH TYR 62 HH TYR 62 22.076 1.580 10.146 465 H ALA 63 HN ALA 63 21.551 -5.433 6.213 466 HA ALA 63 HA ALA 63 21.458 -6.694 3.612 467 HB1 ALA 63 HB1 ALA 63 21.941 -8.750 4.812 468 HB2 ALA 63 HB2 ALA 63 21.685 -7.931 6.351 469 HB3 ALA 63 HB3 ALA 63 23.038 -7.467 5.319 470 H HIS 64 HN HIS 64 19.074 -5.370 4.251 471 HA HIS 64 HA HIS 64 17.236 -7.649 4.240 472 HB2 HIS 64 HB2 HIS 64 16.897 -5.140 5.896 473 HB3 HIS 64 HB1 HIS 64 15.587 -6.267 5.553 474 HD1 HIS 64 HD1 HIS 64 15.817 -8.680 6.617 475 HD2 HIS 64 HD2 HIS 64 18.574 -5.872 7.951 476 HE1 HIS 64 HE1 HIS 64 16.804 -9.648 8.716 477 HE2 HIS 64 HE2 HIS 64 18.335 -7.853 9.597 478 HA PRO 65 HA PRO 65 16.026 -5.352 0.541 479 HB2 PRO 65 HB2 PRO 65 14.099 -7.582 0.384 480 HB3 PRO 65 HB1 PRO 65 15.275 -7.031 -0.811 481 HG2 PRO 65 HG2 PRO 65 15.620 -9.317 0.542 482 HG3 PRO 65 HG1 PRO 65 16.988 -8.279 0.100 483 HD2 PRO 65 HD2 PRO 65 15.610 -8.587 2.738 484 HD3 PRO 65 HD1 PRO 65 17.341 -8.396 2.381 485 H LEU 66 HN LEU 66 14.236 -4.067 0.115 486 HA LEU 66 HA LEU 66 12.570 -3.471 2.339 487 HB2 LEU 66 HB2 LEU 66 13.406 -1.886 0.532 488 HB3 LEU 66 HB1 LEU 66 12.164 -2.560 -0.502 489 HG LEU 66 HG LEU 66 11.465 -1.316 2.144 490 HD11 LEU 66 HD11 LEU 66 12.746 0.347 0.950 491 HD12 LEU 66 HD12 LEU 66 11.035 0.772 0.909 492 HD13 LEU 66 HD13 LEU 66 11.802 0.065 -0.514 493 HD21 LEU 66 HD21 LEU 66 9.933 -1.691 -0.431 494 HD22 LEU 66 HD22 LEU 66 9.314 -0.935 1.038 495 HD23 LEU 66 HD23 LEU 66 9.738 -2.647 1.037 496 H ASN 67 HN ASN 67 10.866 -4.589 2.946 497 HA ASN 67 HA ASN 67 9.097 -5.755 0.917 498 HB2 ASN 67 HB2 ASN 67 10.662 -7.528 1.821 499 HB3 ASN 67 HB1 ASN 67 9.943 -7.261 3.409 500 HD21 ASN 67 HD21 ASN 67 7.749 -7.837 3.732 501 HD22 ASN 67 HD22 ASN 67 6.961 -8.975 2.695 502 H LEU 68 HN LEU 68 7.513 -4.292 1.275 503 HA LEU 68 HA LEU 68 6.542 -3.975 4.037 504 HB2 LEU 68 HB2 LEU 68 7.364 -1.887 3.237 505 HB3 LEU 68 HB1 LEU 68 6.579 -2.091 1.686 506 HG LEU 68 HG LEU 68 4.382 -1.790 2.771 507 HD11 LEU 68 HD11 LEU 68 4.944 -2.591 4.998 508 HD12 LEU 68 HD12 LEU 68 4.281 -0.960 5.061 509 HD13 LEU 68 HD13 LEU 68 6.016 -1.211 5.231 510 HD21 LEU 68 HD21 LEU 68 4.559 0.576 3.087 511 HD22 LEU 68 HD22 LEU 68 5.674 0.104 1.804 512 HD23 LEU 68 HD23 LEU 68 6.284 0.450 3.420 513 H ALA 69 HN ALA 69 4.530 -4.557 4.497 514 HA ALA 69 HA ALA 69 2.665 -5.031 2.260 515 HB1 ALA 69 HB1 ALA 69 1.544 -6.675 3.629 516 HB2 ALA 69 HB2 ALA 69 2.597 -6.303 4.993 517 HB3 ALA 69 HB3 ALA 69 3.264 -7.060 3.547 518 H LEU 70 HN LEU 70 1.283 -3.419 2.080 519 HA LEU 70 HA LEU 70 0.554 -1.814 4.405 520 HB2 LEU 70 HB2 LEU 70 -0.019 -1.508 1.453 521 HB3 LEU 70 HB1 LEU 70 -0.603 -0.397 2.677 522 HG LEU 70 HG LEU 70 2.328 -0.927 2.159 523 HD11 LEU 70 HD11 LEU 70 1.310 0.037 0.182 524 HD12 LEU 70 HD12 LEU 70 2.329 1.220 1.001 525 HD13 LEU 70 HD13 LEU 70 0.575 1.305 1.160 526 HD21 LEU 70 HD21 LEU 70 1.915 -0.077 4.375 527 HD22 LEU 70 HD22 LEU 70 0.857 1.179 3.734 528 HD23 LEU 70 HD23 LEU 70 2.583 1.217 3.379 529 H THR 71 HN THR 71 -1.275 -2.172 5.519 530 HA THR 71 HA THR 71 -3.557 -3.345 4.079 531 HB THR 71 HB THR 71 -4.224 -4.501 6.171 532 HG1 THR 71 HG1 THR 71 -1.759 -3.416 7.092 533 HG21 THR 71 HG21 THR 71 -1.447 -5.195 5.205 534 HG22 THR 71 HG22 THR 71 -2.968 -5.781 4.530 535 HG23 THR 71 HG23 THR 71 -2.484 -6.255 6.158 536 H TRP 72 HN TRP 72 -5.636 -2.601 4.821 537 HA TRP 72 HA TRP 72 -5.486 -0.135 6.412 538 HB2 TRP 72 HB2 TRP 72 -6.868 -0.541 3.761 539 HB3 TRP 72 HB1 TRP 72 -7.264 0.796 4.842 540 HD1 TRP 72 HD1 TRP 72 -5.322 2.659 5.230 541 HE1 TRP 72 HE1 TRP 72 -3.373 3.387 3.720 542 HE3 TRP 72 HE3 TRP 72 -5.190 -1.363 2.073 543 HZ2 TRP 72 HZ2 TRP 72 -1.970 2.397 1.487 544 HZ3 TRP 72 HZ3 TRP 72 -3.511 -1.390 0.273 545 HH2 TRP 72 HH2 TRP 72 -1.935 0.454 -0.008 546 H ASN 73 HN ASN 73 -7.385 0.525 7.427 547 HA ASN 73 HA ASN 73 -8.829 -1.514 8.704 548 HB2 ASN 73 HB2 ASN 73 -9.284 1.467 8.531 549 HB3 ASN 73 HB1 ASN 73 -10.207 0.403 9.588 550 HD21 ASN 73 HD21 ASN 73 -8.284 2.648 10.105 551 HD22 ASN 73 HD22 ASN 73 -7.125 1.975 11.203 552 H THR 74 HN THR 74 -10.708 -2.464 8.289 553 HA THR 74 HA THR 74 -11.749 -2.470 5.697 554 HB THR 74 HB THR 74 -13.252 -3.436 8.121 555 HG1 THR 74 HG1 THR 74 -11.890 -5.118 8.265 556 HG21 THR 74 HG21 THR 74 -13.039 -4.522 5.309 557 HG22 THR 74 HG22 THR 74 -14.392 -3.583 5.938 558 HG23 THR 74 HG23 THR 74 -14.036 -5.175 6.609 559 H ASP 75 HN ASP 75 -12.674 -0.618 8.519 560 HA ASP 75 HA ASP 75 -15.217 0.242 7.661 561 HB2 ASP 75 HB2 ASP 75 -13.179 1.668 9.386 562 HB3 ASP 75 HB1 ASP 75 -14.837 2.211 9.157 563 H GLU 76 HN GLU 76 -12.014 1.641 7.244 564 HA GLU 76 HA GLU 76 -12.668 3.813 5.653 565 HB2 GLU 76 HB2 GLU 76 -10.204 2.077 5.673 566 HB3 GLU 76 HB1 GLU 76 -10.338 3.541 4.709 567 HG2 GLU 76 HG2 GLU 76 -10.690 3.459 7.691 568 HG3 GLU 76 HG1 GLU 76 -9.170 3.837 6.882 569 H ILE 77 HN ILE 77 -11.960 0.475 4.648 570 HA ILE 77 HA ILE 77 -12.196 0.846 1.890 571 HB ILE 77 HB ILE 77 -12.943 -1.596 3.513 572 HG12 ILE 77 HG12 ILE 77 -10.368 -0.808 2.116 573 HG13 ILE 77 HG11 ILE 77 -10.620 -0.948 3.855 574 HG21 ILE 77 HG21 ILE 77 -12.411 -1.318 0.554 575 HG22 ILE 77 HG22 ILE 77 -13.954 -1.712 1.310 576 HG23 ILE 77 HG23 ILE 77 -12.607 -2.845 1.410 577 HD11 ILE 77 HD11 ILE 77 -10.717 -3.210 1.868 578 HD12 ILE 77 HD12 ILE 77 -10.972 -3.354 3.605 579 HD13 ILE 77 HD13 ILE 77 -9.400 -2.856 2.985 580 H GLU 78 HN GLU 78 -14.694 -0.013 4.254 581 HA GLU 78 HA GLU 78 -16.932 -0.124 2.596 582 HB2 GLU 78 HB2 GLU 78 -16.922 -0.759 4.979 583 HB3 GLU 78 HB1 GLU 78 -16.699 0.922 5.433 584 HG2 GLU 78 HG2 GLU 78 -18.941 0.652 5.783 585 HG3 GLU 78 HG1 GLU 78 -18.927 1.278 4.134 586 H ARG 79 HN ARG 79 -15.470 2.613 4.256 587 HA ARG 79 HA ARG 79 -17.364 4.545 3.497 588 HB2 ARG 79 HB2 ARG 79 -15.789 4.657 5.438 589 HB3 ARG 79 HB1 ARG 79 -14.487 4.973 4.304 590 HG2 ARG 79 HG2 ARG 79 -15.374 7.077 3.719 591 HG3 ARG 79 HG1 ARG 79 -16.916 6.728 4.508 592 HD2 ARG 79 HD2 ARG 79 -14.271 6.937 5.937 593 HD3 ARG 79 HD1 ARG 79 -15.443 8.246 5.815 594 HE ARG 79 HE ARG 79 -17.011 6.685 6.992 595 HH11 ARG 79 HH11 ARG 79 -13.538 6.312 7.385 596 HH12 ARG 79 HH12 ARG 79 -13.672 5.700 9.001 597 HH21 ARG 79 HH21 ARG 79 -17.175 5.839 9.101 598 HH22 ARG 79 HH22 ARG 79 -15.733 5.430 9.977 599 H LEU 80 HN LEU 80 -14.533 3.289 1.879 600 HA LEU 80 HA LEU 80 -14.155 5.435 0.060 601 HB2 LEU 80 HB2 LEU 80 -13.424 2.519 -0.135 602 HB3 LEU 80 HB1 LEU 80 -12.971 3.709 -1.339 603 HG LEU 80 HG LEU 80 -12.091 3.650 1.550 604 HD11 LEU 80 HD11 LEU 80 -9.872 3.283 0.578 605 HD12 LEU 80 HD12 LEU 80 -10.591 3.224 -1.029 606 HD13 LEU 80 HD13 LEU 80 -10.994 1.989 0.163 607 HD21 LEU 80 HD21 LEU 80 -10.616 5.542 0.888 608 HD22 LEU 80 HD22 LEU 80 -12.327 5.956 0.896 609 HD23 LEU 80 HD23 LEU 80 -11.502 5.653 -0.632 610 H MET 81 HN MET 81 -16.583 3.074 0.282 611 HA MET 81 HA MET 81 -17.240 2.968 -2.517 612 HB2 MET 81 HB2 MET 81 -18.845 2.189 -0.074 613 HB3 MET 81 HB1 MET 81 -19.327 1.863 -1.731 614 HG2 MET 81 HG2 MET 81 -17.372 0.440 -2.035 615 HG3 MET 81 HG1 MET 81 -16.851 0.799 -0.384 616 HE1 MET 81 HE1 MET 81 -19.777 -0.672 -2.547 617 HE2 MET 81 HE2 MET 81 -20.637 0.323 -1.370 618 HE3 MET 81 HE3 MET 81 -20.783 -1.434 -1.316 619 H GLU 82 HN GLU 82 -17.634 5.255 -0.099 620 HA GLU 82 HA GLU 82 -20.116 6.336 -1.185 621 HB2 GLU 82 HB2 GLU 82 -18.478 7.104 1.242 622 HB3 GLU 82 HB1 GLU 82 -19.957 7.919 0.755 623 HG2 GLU 82 HG2 GLU 82 -19.716 5.025 1.544 624 HG3 GLU 82 HG1 GLU 82 -20.352 6.324 2.547 625 H ALA 83 HN ALA 83 -20.235 8.694 -1.636 626 HA ALA 83 HA ALA 83 -18.375 9.455 -3.569 627 HB1 ALA 83 HB1 ALA 83 -20.660 10.322 -3.488 628 HB2 ALA 83 HB2 ALA 83 -19.481 11.631 -3.563 629 HB3 ALA 83 HB3 ALA 83 -20.265 11.238 -2.034 630 H ASP 84 HN ASP 84 -18.697 10.604 -0.224 631 HA ASP 84 HA ASP 84 -16.525 12.420 -0.339 632 HB2 ASP 84 HB2 ASP 84 -17.960 11.135 1.990 633 HB3 ASP 84 HB1 ASP 84 -16.652 12.291 2.200 634 H GLY 85 HN GLY 85 -16.681 9.035 -0.053 635 HA2 GLY 85 HA2 GLY 85 -14.266 8.630 1.424 636 HA3 GLY 85 HA1 GLY 85 -15.129 7.424 0.470 637 H ALA 86 HN ALA 86 -15.098 8.342 -2.034 638 HA ALA 86 HA ALA 86 -12.549 7.900 -3.012 639 HB1 ALA 86 HB1 ALA 86 -13.388 8.731 -5.153 640 HB2 ALA 86 HB2 ALA 86 -14.796 9.408 -4.334 641 HB3 ALA 86 HB3 ALA 86 -14.551 7.662 -4.371 642 H ALA 87 HN ALA 87 -14.124 10.937 -2.168 643 HA ALA 87 HA ALA 87 -12.241 12.699 -3.243 644 HB1 ALA 87 HB1 ALA 87 -13.913 13.056 -0.761 645 HB2 ALA 87 HB2 ALA 87 -14.417 13.424 -2.410 646 HB3 ALA 87 HB3 ALA 87 -13.112 14.343 -1.661 647 H ARG 88 HN ARG 88 -12.237 10.911 -0.201 648 HA ARG 88 HA ARG 88 -9.913 12.230 0.831 649 HB2 ARG 88 HB2 ARG 88 -11.280 9.656 1.579 650 HB3 ARG 88 HB1 ARG 88 -9.823 10.224 2.380 651 HG2 ARG 88 HG2 ARG 88 -11.079 12.345 2.907 652 HG3 ARG 88 HG1 ARG 88 -12.533 11.516 2.342 653 HD2 ARG 88 HD2 ARG 88 -10.724 10.655 4.589 654 HD3 ARG 88 HD1 ARG 88 -12.353 11.310 4.745 655 HE ARG 88 HE ARG 88 -12.992 9.246 3.371 656 HH11 ARG 88 HH11 ARG 88 -10.415 9.347 5.742 657 HH12 ARG 88 HH12 ARG 88 -10.494 7.641 6.089 658 HH21 ARG 88 HH21 ARG 88 -13.096 7.007 3.840 659 HH22 ARG 88 HH22 ARG 88 -12.048 6.333 5.056 660 H PHE 89 HN PHE 89 -10.514 9.448 -1.195 661 HA PHE 89 HA PHE 89 -7.975 8.266 -1.096 662 HB2 PHE 89 HB2 PHE 89 -9.913 7.168 -2.147 663 HB3 PHE 89 HB1 PHE 89 -9.915 8.382 -3.425 664 HD1 PHE 89 HD2 PHE 89 -7.480 6.017 -1.852 665 HD2 PHE 89 HD1 PHE 89 -9.025 7.724 -5.430 666 HE1 PHE 89 HE2 PHE 89 -5.960 4.619 -3.173 667 HE2 PHE 89 HE1 PHE 89 -7.508 6.321 -6.758 668 HZ PHE 89 HZ PHE 89 -5.972 4.764 -5.631 669 H GLU 90 HN GLU 90 -9.254 10.898 -3.085 670 HA GLU 90 HA GLU 90 -6.918 11.310 -4.620 671 HB2 GLU 90 HB2 GLU 90 -9.157 13.186 -3.845 672 HB3 GLU 90 HB1 GLU 90 -7.865 13.633 -4.950 673 HG2 GLU 90 HG2 GLU 90 -9.911 11.462 -5.339 674 HG3 GLU 90 HG1 GLU 90 -9.801 12.992 -6.207 675 H ARG 91 HN ARG 91 -8.023 12.596 -1.538 676 HA ARG 91 HA ARG 91 -5.978 14.468 -1.092 677 HB2 ARG 91 HB2 ARG 91 -8.091 14.287 0.226 678 HB3 ARG 91 HB1 ARG 91 -7.463 12.821 0.964 679 HG2 ARG 91 HG2 ARG 91 -5.517 14.241 1.767 680 HG3 ARG 91 HG1 ARG 91 -6.485 15.637 1.293 681 HD2 ARG 91 HD2 ARG 91 -7.217 13.517 3.309 682 HD3 ARG 91 HD1 ARG 91 -6.819 15.203 3.639 683 HE ARG 91 HE ARG 91 -8.956 15.310 1.930 684 HH11 ARG 91 HH11 ARG 91 -8.350 13.847 5.075 685 HH12 ARG 91 HH12 ARG 91 -10.013 13.968 5.570 686 HH21 ARG 91 HH21 ARG 91 -11.124 15.450 2.596 687 HH22 ARG 91 HH22 ARG 91 -11.584 14.868 4.165 688 H TYR 92 HN TYR 92 -6.145 11.004 -0.642 689 HA TYR 92 HA TYR 92 -3.790 10.839 0.993 690 HB2 TYR 92 HB2 TYR 92 -5.677 9.216 1.135 691 HB3 TYR 92 HB1 TYR 92 -5.277 8.655 -0.483 692 HD1 TYR 92 HD1 TYR 92 -3.756 9.058 2.902 693 HD2 TYR 92 HD2 TYR 92 -3.838 6.849 -0.735 694 HE1 TYR 92 HE1 TYR 92 -2.177 7.434 3.860 695 HE2 TYR 92 HE2 TYR 92 -2.263 5.215 0.216 696 HH TYR 92 HH TYR 92 -1.514 5.093 3.524 697 H LEU 93 HN LEU 93 -4.586 10.490 -2.409 698 HA LEU 93 HA LEU 93 -2.153 9.369 -3.274 699 HB2 LEU 93 HB2 LEU 93 -4.064 11.168 -4.770 700 HB3 LEU 93 HB1 LEU 93 -2.761 10.256 -5.512 701 HG LEU 93 HG LEU 93 -5.182 9.087 -4.130 702 HD11 LEU 93 HD11 LEU 93 -5.800 8.336 -6.365 703 HD12 LEU 93 HD12 LEU 93 -4.393 9.161 -7.036 704 HD13 LEU 93 HD13 LEU 93 -5.689 10.094 -6.289 705 HD21 LEU 93 HD21 LEU 93 -2.845 7.752 -5.491 706 HD22 LEU 93 HD22 LEU 93 -4.340 6.936 -5.038 707 HD23 LEU 93 HD23 LEU 93 -3.301 7.623 -3.792 708 H ALA 94 HN ALA 94 -3.215 12.733 -2.996 709 HA ALA 94 HA ALA 94 -0.827 13.874 -3.993 710 HB1 ALA 94 HB1 ALA 94 -2.905 15.100 -2.184 711 HB2 ALA 94 HB2 ALA 94 -2.953 15.082 -3.947 712 HB3 ALA 94 HB3 ALA 94 -1.686 15.977 -3.109 713 H ALA 95 HN ALA 95 -1.570 12.440 -0.981 714 HA ALA 95 HA ALA 95 0.656 13.847 0.320 715 HB1 ALA 95 HB1 ALA 95 -1.566 12.249 1.571 716 HB2 ALA 95 HB2 ALA 95 -1.486 14.008 1.473 717 HB3 ALA 95 HB3 ALA 95 -0.302 13.123 2.435 718 H LEU 96 HN LEU 96 0.236 11.154 -1.412 719 HA LEU 96 HA LEU 96 1.227 9.027 0.013 720 HB2 LEU 96 HB2 LEU 96 1.708 9.798 -2.850 721 HB3 LEU 96 HB1 LEU 96 2.327 8.309 -2.170 722 HG LEU 96 HG LEU 96 -0.592 9.036 -2.223 723 HD11 LEU 96 HD11 LEU 96 0.984 7.259 -4.078 724 HD12 LEU 96 HD12 LEU 96 0.247 8.805 -4.492 725 HD13 LEU 96 HD13 LEU 96 -0.771 7.429 -4.066 726 HD21 LEU 96 HD21 LEU 96 -0.058 7.459 -0.477 727 HD22 LEU 96 HD22 LEU 96 0.860 6.469 -1.608 728 HD23 LEU 96 HD23 LEU 96 -0.888 6.621 -1.787 729 HA PRO 97 HA PRO 97 5.833 10.484 -0.874 730 HB2 PRO 97 HB2 PRO 97 6.055 13.238 -0.887 731 HB3 PRO 97 HB1 PRO 97 6.067 12.221 -2.330 732 HG2 PRO 97 HG2 PRO 97 3.795 13.745 -1.107 733 HG3 PRO 97 HG1 PRO 97 4.240 13.583 -2.818 734 HD2 PRO 97 HD2 PRO 97 2.235 12.161 -1.792 735 HD3 PRO 97 HD1 PRO 97 3.352 11.434 -2.968 736 H ARG 98 HN ARG 98 3.505 12.369 0.992 737 HA ARG 98 HA ARG 98 5.401 13.045 3.049 738 HB2 ARG 98 HB2 ARG 98 2.397 13.341 2.899 739 HB3 ARG 98 HB1 ARG 98 3.383 13.937 4.226 740 HG2 ARG 98 HG2 ARG 98 4.532 15.459 2.755 741 HG3 ARG 98 HG1 ARG 98 3.687 14.794 1.356 742 HD2 ARG 98 HD2 ARG 98 2.689 16.900 2.055 743 HD3 ARG 98 HD1 ARG 98 1.558 15.567 2.271 744 HE ARG 98 HE ARG 98 3.023 16.088 4.659 745 HH11 ARG 98 HH11 ARG 98 0.366 17.261 2.701 746 HH12 ARG 98 HH12 ARG 98 -0.463 18.003 4.032 747 HH21 ARG 98 HH21 ARG 98 1.929 17.059 6.428 748 HH22 ARG 98 HH22 ARG 98 0.433 17.894 6.151 749 H LYS 99 HN LYS 99 2.823 10.711 2.577 750 HA LYS 99 HA LYS 99 2.865 9.643 5.217 751 HB2 LYS 99 HB2 LYS 99 1.223 9.370 3.046 752 HB3 LYS 99 HB1 LYS 99 2.096 7.849 3.004 753 HG2 LYS 99 HG2 LYS 99 0.085 7.523 4.233 754 HG3 LYS 99 HG1 LYS 99 1.434 7.472 5.370 755 HD2 LYS 99 HD2 LYS 99 0.985 9.723 6.087 756 HD3 LYS 99 HD1 LYS 99 -0.249 9.918 4.843 757 HE2 LYS 99 HE2 LYS 99 -1.591 8.170 5.908 758 HE3 LYS 99 HE1 LYS 99 -0.357 7.986 7.155 759 HZ1 LYS 99 HZ1 LYS 99 -0.778 10.175 7.933 760 HZ2 LYS 99 HZ2 LYS 99 -2.275 9.406 7.794 761 HZ3 LYS 99 HZ3 LYS 99 -1.791 10.532 6.627 762 H LEU 100 HN LEU 100 4.478 8.957 2.205 763 HA LEU 100 HA LEU 100 5.758 6.566 2.856 764 HB2 LEU 100 HB2 LEU 100 5.570 7.690 0.592 765 HB3 LEU 100 HB1 LEU 100 6.857 8.761 1.106 766 HG LEU 100 HG LEU 100 8.246 6.636 1.467 767 HD11 LEU 100 HD11 LEU 100 6.034 5.527 -0.249 768 HD12 LEU 100 HD12 LEU 100 6.468 5.010 1.381 769 HD13 LEU 100 HD13 LEU 100 7.585 4.741 0.044 770 HD21 LEU 100 HD21 LEU 100 8.900 6.577 -0.880 771 HD22 LEU 100 HD22 LEU 100 8.635 8.233 -0.339 772 HD23 LEU 100 HD23 LEU 100 7.416 7.423 -1.322 773 H ALA 101 HN ALA 101 6.858 9.929 3.115 774 HA ALA 101 HA ALA 101 9.404 9.450 4.151 775 HB1 ALA 101 HB1 ALA 101 9.366 11.767 4.883 776 HB2 ALA 101 HB2 ALA 101 7.617 11.819 4.676 777 HB3 ALA 101 HB3 ALA 101 8.663 11.617 3.272 778 H ALA 102 HN ALA 102 6.278 9.691 5.738 779 HA ALA 102 HA ALA 102 7.203 9.836 8.389 780 HB1 ALA 102 HB1 ALA 102 4.610 8.711 7.335 781 HB2 ALA 102 HB2 ALA 102 4.914 10.393 7.766 782 HB3 ALA 102 HB3 ALA 102 4.937 9.146 9.012 783 H TRP 103 HN TRP 103 6.294 7.081 6.347 784 HA TRP 103 HA TRP 103 6.687 5.116 8.353 785 HB2 TRP 103 HB2 TRP 103 6.701 4.853 5.335 786 HB3 TRP 103 HB1 TRP 103 6.681 3.493 6.456 787 HD1 TRP 103 HD1 TRP 103 4.456 4.720 8.472 788 HE1 TRP 103 HE1 TRP 103 2.000 4.760 7.696 789 HE3 TRP 103 HE3 TRP 103 5.202 4.379 3.434 790 HZ2 TRP 103 HZ2 TRP 103 0.576 4.659 5.259 791 HZ3 TRP 103 HZ3 TRP 103 3.246 4.356 1.948 792 HH2 TRP 103 HH2 TRP 103 0.981 4.492 2.842 793 H GLU 104 HN GLU 104 8.798 6.529 5.916 794 HA GLU 104 HA GLU 104 10.939 4.727 6.168 795 HB2 GLU 104 HB2 GLU 104 11.040 7.667 5.460 796 HB3 GLU 104 HB1 GLU 104 12.337 6.514 5.202 797 HG2 GLU 104 HG2 GLU 104 10.715 5.224 3.740 798 HG3 GLU 104 HG1 GLU 104 9.672 6.648 3.825 799 H ASN 105 HN ASN 105 10.362 7.844 7.747 800 HA ASN 105 HA ASN 105 12.655 7.800 9.379 801 HB2 ASN 105 HB2 ASN 105 11.350 9.847 8.929 802 HB3 ASN 105 HB1 ASN 105 10.009 9.195 9.864 803 HD21 ASN 105 HD21 ASN 105 13.462 9.018 10.633 804 HD22 ASN 105 HD22 ASN 105 13.356 9.944 12.089 805 H ALA 106 HN ALA 106 9.445 6.442 9.812 806 HA ALA 106 HA ALA 106 9.767 6.076 12.642 807 HB1 ALA 106 HB1 ALA 106 7.590 5.054 12.593 808 HB2 ALA 106 HB2 ALA 106 7.658 4.914 10.837 809 HB3 ALA 106 HB3 ALA 106 7.574 6.506 11.591 810 H ARG 107 HN ARG 107 9.806 3.873 9.827 811 HA ARG 107 HA ARG 107 10.326 1.680 11.700 812 HB2 ARG 107 HB2 ARG 107 9.521 1.618 8.797 813 HB3 ARG 107 HB1 ARG 107 9.866 0.186 9.752 814 HG2 ARG 107 HG2 ARG 107 7.612 2.144 10.108 815 HG3 ARG 107 HG1 ARG 107 7.514 0.433 9.687 816 HD2 ARG 107 HD2 ARG 107 8.249 1.666 12.334 817 HD3 ARG 107 HD1 ARG 107 6.907 0.588 11.972 818 HE ARG 107 HE ARG 107 9.218 -0.818 11.383 819 HH11 ARG 107 HH11 ARG 107 7.703 0.629 14.183 820 HH12 ARG 107 HH12 ARG 107 8.472 -0.440 15.312 821 HH21 ARG 107 HH21 ARG 107 10.258 -2.223 12.862 822 HH22 ARG 107 HH22 ARG 107 9.921 -2.061 14.562 823 H GLY 108 HN GLY 108 12.157 3.708 9.810 824 HA2 GLY 108 HA2 GLY 108 14.428 3.607 9.323 825 HA3 GLY 108 HA1 GLY 108 14.464 2.006 10.056 826 H VAL 109 HN VAL 109 12.784 3.445 7.308 827 HA VAL 109 HA VAL 109 13.702 1.193 5.640 828 HB VAL 109 HB VAL 109 10.985 2.530 5.531 829 HG11 VAL 109 HG11 VAL 109 11.731 1.845 3.320 830 HG12 VAL 109 HG12 VAL 109 10.408 0.823 3.880 831 HG13 VAL 109 HG13 VAL 109 12.064 0.222 3.924 832 HG21 VAL 109 HG21 VAL 109 10.088 0.381 6.260 833 HG22 VAL 109 HG22 VAL 109 11.189 1.057 7.461 834 HG23 VAL 109 HG23 VAL 109 11.725 -0.255 6.411 835 H ASP 110 HN ASP 110 14.373 1.739 3.546 836 HA ASP 110 HA ASP 110 14.161 4.586 2.822 837 HB2 ASP 110 HB2 ASP 110 16.451 3.962 3.760 838 HB3 ASP 110 HB1 ASP 110 16.660 2.958 2.325 839 H PHE 111 HN PHE 111 12.785 4.480 1.171 840 HA PHE 111 HA PHE 111 12.559 2.215 -0.533 841 HB2 PHE 111 HB2 PHE 111 11.363 4.981 -0.668 842 HB3 PHE 111 HB1 PHE 111 10.980 3.709 -1.823 843 HD1 PHE 111 HD2 PHE 111 10.929 4.498 1.809 844 HD2 PHE 111 HD1 PHE 111 9.300 2.157 -1.354 845 HE1 PHE 111 HE2 PHE 111 9.214 3.629 3.339 846 HE2 PHE 111 HE1 PHE 111 7.585 1.286 0.174 847 HZ PHE 111 HZ PHE 111 7.538 2.022 2.525 848 H GLY 112 HN GLY 112 14.452 5.104 -0.681 849 HA2 GLY 112 HA2 GLY 112 14.923 4.942 -3.528 850 HA3 GLY 112 HA1 GLY 112 15.733 6.014 -2.393 851 H SER 113 HN SER 113 16.337 3.622 -0.658 852 HA SER 113 HA SER 113 18.739 2.805 -2.111 853 HB2 SER 113 HB2 SER 113 18.044 2.374 0.802 854 HB3 SER 113 HB1 SER 113 19.626 2.164 0.050 855 HG SER 113 HG SER 113 18.175 4.609 0.246 856 H ARG 114 HN ARG 114 15.671 1.674 -1.477 857 HA ARG 114 HA ARG 114 14.602 -0.286 -1.883 858 HB2 ARG 114 HB2 ARG 114 17.216 -1.221 -3.077 859 HB3 ARG 114 HB1 ARG 114 15.627 -1.928 -3.348 860 HG2 ARG 114 HG2 ARG 114 14.907 0.127 -4.467 861 HG3 ARG 114 HG1 ARG 114 16.506 0.826 -4.201 862 HD2 ARG 114 HD2 ARG 114 17.475 -1.072 -5.486 863 HD3 ARG 114 HD1 ARG 114 15.837 -1.606 -5.847 864 HE ARG 114 HE ARG 114 16.799 1.056 -6.664 865 HH11 ARG 114 HH11 ARG 114 15.378 -2.049 -7.429 866 HH12 ARG 114 HH12 ARG 114 14.999 -1.621 -9.065 867 HH21 ARG 114 HH21 ARG 114 16.336 1.615 -8.844 868 HH22 ARG 114 HH22 ARG 114 15.548 0.458 -9.870 869 H THR 115 HN THR 115 16.302 0.158 0.540 870 HA THR 115 HA THR 115 16.378 -2.615 1.458 871 HB THR 115 HB THR 115 18.521 -1.842 2.770 872 HG1 THR 115 HG1 THR 115 18.853 -0.331 0.388 873 HG21 THR 115 HG21 THR 115 19.948 -2.738 0.972 874 HG22 THR 115 HG22 THR 115 18.600 -2.595 -0.154 875 HG23 THR 115 HG23 THR 115 18.497 -3.712 1.207 876 H GLN 116 HN GLN 116 16.634 -2.692 3.902 877 HA GLN 116 HA GLN 116 15.616 -0.359 5.280 878 HB2 GLN 116 HB2 GLN 116 13.629 -1.502 6.150 879 HB3 GLN 116 HB1 GLN 116 13.569 -1.405 4.397 880 HG2 GLN 116 HG2 GLN 116 14.363 -3.741 4.277 881 HG3 GLN 116 HG1 GLN 116 14.301 -3.821 6.037 882 HE21 GLN 116 HE21 GLN 116 12.758 -5.441 6.067 883 HE22 GLN 116 HE22 GLN 116 11.117 -5.166 5.605 884 H ALA 117 HN ALA 117 15.798 -0.516 7.550 885 HA ALA 117 HA ALA 117 17.888 -2.339 8.380 886 HB1 ALA 117 HB1 ALA 117 17.938 -1.030 10.427 887 HB2 ALA 117 HB2 ALA 117 16.474 -0.180 9.939 888 HB3 ALA 117 HB3 ALA 117 17.963 0.031 9.019 889 H ASP 118 HN ASP 118 14.545 -2.355 8.341 890 HA ASP 118 HA ASP 118 14.241 -3.916 10.787 891 HB2 ASP 118 HB2 ASP 118 12.593 -2.079 9.930 892 HB3 ASP 118 HB1 ASP 118 12.030 -3.337 8.829 893 H ALA 119 HN ALA 119 13.352 -6.018 10.779 894 HA ALA 119 HA ALA 119 14.366 -7.668 8.667 895 HB1 ALA 119 HB1 ALA 119 14.471 -8.351 11.021 896 HB2 ALA 119 HB2 ALA 119 13.602 -9.530 10.037 897 HB3 ALA 119 HB3 ALA 119 12.710 -8.417 11.074 898 H LEU 120 HN LEU 120 11.279 -6.309 9.488 899 HA LEU 120 HA LEU 120 10.074 -7.103 7.064 900 HB2 LEU 120 HB2 LEU 120 9.914 -9.286 8.147 901 HB3 LEU 120 HB1 LEU 120 9.170 -8.558 9.553 902 HG LEU 120 HG LEU 120 7.216 -7.940 8.178 903 HD11 LEU 120 HD11 LEU 120 8.624 -9.500 6.028 904 HD12 LEU 120 HD12 LEU 120 8.267 -7.773 6.014 905 HD13 LEU 120 HD13 LEU 120 6.953 -8.944 5.962 906 HD21 LEU 120 HD21 LEU 120 6.319 -10.199 7.948 907 HD22 LEU 120 HD22 LEU 120 7.195 -9.995 9.465 908 HD23 LEU 120 HD23 LEU 120 7.944 -10.859 8.122 909 H VAL 121 HN VAL 121 8.625 -5.491 6.634 910 HA VAL 121 HA VAL 121 7.502 -4.142 8.989 911 HB VAL 121 HB VAL 121 9.038 -2.638 7.953 912 HG11 VAL 121 HG11 VAL 121 7.543 -3.014 5.370 913 HG12 VAL 121 HG12 VAL 121 9.145 -3.652 5.735 914 HG13 VAL 121 HG13 VAL 121 8.889 -1.910 5.647 915 HG21 VAL 121 HG21 VAL 121 7.562 -0.759 7.370 916 HG22 VAL 121 HG22 VAL 121 7.022 -1.623 8.808 917 HG23 VAL 121 HG23 VAL 121 6.205 -1.881 7.268 918 H LEU 122 HN LEU 122 5.599 -5.073 9.196 919 HA LEU 122 HA LEU 122 3.733 -5.007 6.923 920 HB2 LEU 122 HB2 LEU 122 3.397 -6.423 9.571 921 HB3 LEU 122 HB1 LEU 122 2.377 -6.592 8.158 922 HG LEU 122 HG LEU 122 5.238 -7.532 8.402 923 HD11 LEU 122 HD11 LEU 122 4.260 -9.768 8.259 924 HD12 LEU 122 HD12 LEU 122 2.645 -9.059 8.259 925 HD13 LEU 122 HD13 LEU 122 3.681 -8.893 9.675 926 HD21 LEU 122 HD21 LEU 122 4.756 -6.823 6.129 927 HD22 LEU 122 HD22 LEU 122 3.294 -7.810 6.118 928 HD23 LEU 122 HD23 LEU 122 4.876 -8.579 6.225 929 H LEU 123 HN LEU 123 2.726 -3.076 6.909 930 HA LEU 123 HA LEU 123 2.166 -1.740 9.435 931 HB2 LEU 123 HB2 LEU 123 1.755 -0.804 6.595 932 HB3 LEU 123 HB1 LEU 123 1.504 0.174 8.029 933 HG LEU 123 HG LEU 123 4.144 -0.942 7.086 934 HD11 LEU 123 HD11 LEU 123 3.104 1.883 7.150 935 HD12 LEU 123 HD12 LEU 123 3.305 0.891 5.706 936 HD13 LEU 123 HD13 LEU 123 4.716 1.378 6.646 937 HD21 LEU 123 HD21 LEU 123 3.498 0.823 9.444 938 HD22 LEU 123 HD22 LEU 123 5.120 0.442 8.865 939 HD23 LEU 123 HD23 LEU 123 4.093 -0.836 9.509 940 H GLY 124 HN GLY 124 0.364 -2.179 10.446 941 HA2 GLY 124 HA2 GLY 124 -2.074 -2.654 8.854 942 HA3 GLY 124 HA1 GLY 124 -1.755 -3.433 10.397 943 H GLY 125 HN GLY 125 -4.108 -2.045 9.938 944 HA2 GLY 125 HA2 GLY 125 -5.445 -0.597 11.119 945 HA3 GLY 125 HA1 GLY 125 -4.053 -0.208 12.122 946 H LEU 126 HN LEU 126 -3.693 0.182 8.716 947 HA LEU 126 HA LEU 126 -3.303 2.998 9.041 948 HB2 LEU 126 HB2 LEU 126 -3.026 1.065 6.797 949 HB3 LEU 126 HB1 LEU 126 -3.207 2.764 6.396 950 HG LEU 126 HG LEU 126 -1.214 3.295 7.736 951 HD11 LEU 126 HD11 LEU 126 -0.908 0.317 8.068 952 HD12 LEU 126 HD12 LEU 126 -1.418 1.427 9.339 953 HD13 LEU 126 HD13 LEU 126 0.193 1.571 8.640 954 HD21 LEU 126 HD21 LEU 126 -0.764 1.116 5.701 955 HD22 LEU 126 HD22 LEU 126 0.429 2.299 6.238 956 HD23 LEU 126 HD23 LEU 126 -0.999 2.827 5.349 957 H ASP 127 HN ASP 127 -4.392 4.657 7.967 958 HA ASP 127 HA ASP 127 -7.179 4.047 7.230 959 HB2 ASP 127 HB2 ASP 127 -6.114 6.421 8.797 960 HB3 ASP 127 HB1 ASP 127 -7.749 6.331 8.146 961 H PHE 128 HN PHE 128 -8.104 6.011 5.942 962 HA PHE 128 HA PHE 128 -6.094 6.623 3.894 963 HB2 PHE 128 HB2 PHE 128 -9.076 6.354 3.811 964 HB3 PHE 128 HB1 PHE 128 -8.245 7.299 2.579 965 HD1 PHE 128 HD2 PHE 128 -8.655 3.939 4.012 966 HD2 PHE 128 HD1 PHE 128 -6.907 6.254 0.900 967 HE1 PHE 128 HE2 PHE 128 -8.128 1.876 2.783 968 HE2 PHE 128 HE1 PHE 128 -6.369 4.193 -0.336 969 HZ PHE 128 HZ PHE 128 -6.982 2.000 0.607 970 H GLU 129 HN GLU 129 -6.026 8.046 6.252 971 HA GLU 129 HA GLU 129 -6.990 10.705 5.498 972 HB2 GLU 129 HB2 GLU 129 -7.419 9.933 7.823 973 HB3 GLU 129 HB1 GLU 129 -5.685 9.783 8.072 974 HG2 GLU 129 HG2 GLU 129 -6.570 11.838 9.039 975 HG3 GLU 129 HG1 GLU 129 -5.401 12.164 7.761 976 H ALA 130 HN ALA 130 -5.579 12.343 5.033 977 HA ALA 130 HA ALA 130 -2.961 11.459 4.159 978 HB1 ALA 130 HB1 ALA 130 -4.357 14.109 3.827 979 HB2 ALA 130 HB2 ALA 130 -4.313 12.795 2.651 980 HB3 ALA 130 HB3 ALA 130 -2.831 13.652 3.073 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -29.915 -7.172 7.873 2 H2 GLY 1 HT2 GLY 1 -29.629 -6.601 6.310 3 H3 GLY 1 HT3 GLY 1 -28.759 -5.970 7.611 4 HA2 GLY 1 HA1 GLY 1 -27.693 -8.091 7.986 5 HA3 GLY 1 HA2 GLY 1 -28.607 -8.767 6.645 6 H ALA 2 HN ALA 2 -26.395 -9.298 5.910 7 HA ALA 2 HA ALA 2 -24.611 -9.026 4.537 8 HB1 ALA 2 HB1 ALA 2 -26.194 -6.693 3.460 9 HB2 ALA 2 HB2 ALA 2 -26.362 -8.370 2.944 10 HB3 ALA 2 HB3 ALA 2 -24.853 -7.503 2.652 11 H MET 3 HN MET 3 -24.582 -7.753 7.116 12 HA MET 3 HA MET 3 -22.800 -5.465 6.592 13 HB2 MET 3 HB2 MET 3 -24.837 -4.943 7.930 14 HB3 MET 3 HB1 MET 3 -24.336 -6.135 9.120 15 HG2 MET 3 HG2 MET 3 -22.304 -4.815 9.558 16 HG3 MET 3 HG1 MET 3 -22.869 -3.605 8.406 17 HE1 MET 3 HE1 MET 3 -25.028 -2.113 8.761 18 HE2 MET 3 HE2 MET 3 -26.098 -2.250 10.155 19 HE3 MET 3 HE3 MET 3 -26.011 -3.560 8.979 20 H GLY 4 HN GLY 4 -23.181 -8.557 8.164 21 HA2 GLY 4 HA2 GLY 4 -20.791 -8.483 9.706 22 HA3 GLY 4 HA1 GLY 4 -21.683 -9.928 9.246 23 H MET 5 HN MET 5 -21.566 -10.070 6.627 24 HA MET 5 HA MET 5 -18.703 -9.919 5.959 25 HB2 MET 5 HB2 MET 5 -18.991 -11.819 4.486 26 HB3 MET 5 HB1 MET 5 -19.574 -12.245 6.086 27 HG2 MET 5 HG2 MET 5 -21.862 -11.978 5.370 28 HG3 MET 5 HG1 MET 5 -21.332 -11.414 3.787 29 HE1 MET 5 HE1 MET 5 -22.843 -14.936 2.960 30 HE2 MET 5 HE2 MET 5 -22.877 -13.211 2.592 31 HE3 MET 5 HE3 MET 5 -23.435 -13.790 4.161 32 H SER 6 HN SER 6 -18.139 -9.135 3.924 33 HA SER 6 HA SER 6 -20.264 -8.158 2.201 34 HB2 SER 6 HB2 SER 6 -19.667 -6.380 3.964 35 HB3 SER 6 HB1 SER 6 -18.127 -6.234 3.118 36 HG SER 6 HG SER 6 -19.175 -4.899 1.878 37 HA PRO 7 HA PRO 7 -16.527 -9.933 0.039 38 HB2 PRO 7 HB2 PRO 7 -18.021 -11.260 -1.840 39 HB3 PRO 7 HB1 PRO 7 -17.492 -11.971 -0.313 40 HG2 PRO 7 HG2 PRO 7 -20.138 -10.790 -1.039 41 HG3 PRO 7 HG1 PRO 7 -19.779 -12.236 -0.078 42 HD2 PRO 7 HD2 PRO 7 -20.480 -9.898 1.061 43 HD3 PRO 7 HD1 PRO 7 -19.332 -11.010 1.833 44 H ASP 8 HN ASP 8 -19.363 -8.190 -0.938 45 HA ASP 8 HA ASP 8 -18.531 -7.573 -3.593 46 HB2 ASP 8 HB2 ASP 8 -20.874 -7.355 -2.996 47 HB3 ASP 8 HB1 ASP 8 -20.482 -6.156 -1.765 48 H THR 9 HN THR 9 -18.284 -5.859 -0.506 49 HA THR 9 HA THR 9 -17.037 -3.533 -1.421 50 HB THR 9 HB THR 9 -16.573 -4.923 1.225 51 HG1 THR 9 HG1 THR 9 -18.645 -3.221 0.286 52 HG21 THR 9 HG21 THR 9 -16.346 -2.013 0.445 53 HG22 THR 9 HG22 THR 9 -14.994 -3.103 0.754 54 HG23 THR 9 HG23 THR 9 -16.098 -2.675 2.062 55 H ALA 10 HN ALA 10 -15.713 -6.635 -0.416 56 HA ALA 10 HA ALA 10 -12.985 -5.957 -0.657 57 HB1 ALA 10 HB1 ALA 10 -14.263 -8.675 -0.916 58 HB2 ALA 10 HB2 ALA 10 -13.784 -7.909 0.599 59 HB3 ALA 10 HB3 ALA 10 -12.561 -8.346 -0.595 60 H ARG 11 HN ARG 11 -15.353 -7.252 -2.913 61 HA ARG 11 HA ARG 11 -13.617 -7.818 -5.053 62 HB2 ARG 11 HB2 ARG 11 -15.885 -8.673 -5.033 63 HB3 ARG 11 HB1 ARG 11 -16.538 -7.040 -5.056 64 HG2 ARG 11 HG2 ARG 11 -15.465 -6.723 -7.287 65 HG3 ARG 11 HG1 ARG 11 -15.033 -8.432 -7.258 66 HD2 ARG 11 HD2 ARG 11 -17.068 -8.099 -8.538 67 HD3 ARG 11 HD1 ARG 11 -17.408 -9.020 -7.076 68 HE ARG 11 HE ARG 11 -18.523 -7.146 -6.176 69 HH11 ARG 11 HH11 ARG 11 -17.366 -6.568 -9.435 70 HH12 ARG 11 HH12 ARG 11 -18.443 -5.238 -9.716 71 HH21 ARG 11 HH21 ARG 11 -19.945 -5.399 -6.537 72 HH22 ARG 11 HH22 ARG 11 -19.917 -4.576 -8.076 73 H ARG 12 HN ARG 12 -15.403 -4.888 -4.189 74 HA ARG 12 HA ARG 12 -14.770 -3.481 -6.568 75 HB2 ARG 12 HB2 ARG 12 -15.637 -2.421 -3.876 76 HB3 ARG 12 HB1 ARG 12 -15.616 -1.492 -5.368 77 HG2 ARG 12 HG2 ARG 12 -17.229 -3.175 -6.312 78 HG3 ARG 12 HG1 ARG 12 -17.365 -3.840 -4.683 79 HD2 ARG 12 HD2 ARG 12 -18.013 -1.543 -3.904 80 HD3 ARG 12 HD1 ARG 12 -18.073 -1.061 -5.594 81 HE ARG 12 HE ARG 12 -19.762 -3.239 -4.537 82 HH11 ARG 12 HH11 ARG 12 -19.387 -0.227 -6.299 83 HH12 ARG 12 HH12 ARG 12 -21.053 -0.157 -6.776 84 HH21 ARG 12 HH21 ARG 12 -21.948 -3.139 -5.147 85 HH22 ARG 12 HH22 ARG 12 -22.514 -1.819 -6.122 86 H PHE 13 HN PHE 13 -13.341 -3.508 -3.326 87 HA PHE 13 HA PHE 13 -11.455 -1.460 -3.819 88 HB2 PHE 13 HB2 PHE 13 -12.094 -2.332 -1.540 89 HB3 PHE 13 HB1 PHE 13 -11.160 -3.778 -1.888 90 HD1 PHE 13 HD1 PHE 13 -10.928 -0.136 -1.356 91 HD2 PHE 13 HD2 PHE 13 -8.807 -3.811 -1.665 92 HE1 PHE 13 HE1 PHE 13 -8.902 0.965 -0.499 93 HE2 PHE 13 HE2 PHE 13 -6.779 -2.720 -0.808 94 HZ PHE 13 HZ PHE 13 -6.822 -0.318 -0.242 95 H ASP 14 HN ASP 14 -11.347 -4.958 -4.138 96 HA ASP 14 HA ASP 14 -8.678 -5.294 -4.846 97 HB2 ASP 14 HB2 ASP 14 -9.879 -7.237 -4.316 98 HB3 ASP 14 HB1 ASP 14 -11.181 -6.848 -5.432 99 H THR 15 HN THR 15 -11.443 -4.405 -6.838 100 HA THR 15 HA THR 15 -9.904 -4.791 -9.264 101 HB THR 15 HB THR 15 -12.120 -4.002 -10.320 102 HG1 THR 15 HG1 THR 15 -13.176 -4.771 -7.800 103 HG21 THR 15 HG21 THR 15 -12.007 -6.556 -8.712 104 HG22 THR 15 HG22 THR 15 -11.359 -6.324 -10.336 105 HG23 THR 15 HG23 THR 15 -13.099 -6.240 -10.060 106 H GLU 16 HN GLU 16 -11.403 -2.085 -7.500 107 HA GLU 16 HA GLU 16 -10.624 -0.304 -9.684 108 HB2 GLU 16 HB2 GLU 16 -12.942 -0.220 -8.875 109 HB3 GLU 16 HB1 GLU 16 -12.364 0.228 -7.276 110 HG2 GLU 16 HG2 GLU 16 -13.204 2.140 -8.587 111 HG3 GLU 16 HG1 GLU 16 -11.517 2.310 -8.098 112 H PHE 17 HN PHE 17 -10.064 -0.688 -6.196 113 HA PHE 17 HA PHE 17 -8.589 1.833 -6.242 114 HB2 PHE 17 HB2 PHE 17 -9.661 0.197 -3.947 115 HB3 PHE 17 HB1 PHE 17 -8.670 1.636 -3.734 116 HD1 PHE 17 HD1 PHE 17 -9.524 3.841 -4.519 117 HD2 PHE 17 HD2 PHE 17 -11.977 0.360 -4.472 118 HE1 PHE 17 HE1 PHE 17 -11.534 5.253 -4.680 119 HE2 PHE 17 HE2 PHE 17 -13.985 1.765 -4.634 120 HZ PHE 17 HZ PHE 17 -13.766 4.215 -4.739 121 H ALA 18 HN ALA 18 -8.096 -1.542 -5.203 122 HA ALA 18 HA ALA 18 -5.581 -1.182 -4.086 123 HB1 ALA 18 HB1 ALA 18 -5.290 -3.549 -4.203 124 HB2 ALA 18 HB2 ALA 18 -6.513 -3.690 -5.462 125 HB3 ALA 18 HB3 ALA 18 -6.979 -3.210 -3.832 126 HA PRO 19 HA PRO 19 -3.533 -2.301 -8.356 127 HB2 PRO 19 HB2 PRO 19 -5.601 -1.405 -10.280 128 HB3 PRO 19 HB1 PRO 19 -4.582 -2.853 -10.319 129 HG2 PRO 19 HG2 PRO 19 -7.177 -3.033 -9.762 130 HG3 PRO 19 HG1 PRO 19 -5.991 -4.037 -8.905 131 HD2 PRO 19 HD2 PRO 19 -7.345 -1.517 -7.996 132 HD3 PRO 19 HD1 PRO 19 -7.077 -3.030 -7.106 133 H ARG 20 HN ARG 20 -5.740 0.362 -7.921 134 HA ARG 20 HA ARG 20 -4.304 2.234 -9.529 135 HB2 ARG 20 HB2 ARG 20 -6.729 2.441 -8.951 136 HB3 ARG 20 HB1 ARG 20 -6.260 2.793 -7.293 137 HG2 ARG 20 HG2 ARG 20 -4.895 4.711 -8.266 138 HG3 ARG 20 HG1 ARG 20 -5.808 4.444 -9.752 139 HD2 ARG 20 HD2 ARG 20 -6.957 5.065 -7.043 140 HD3 ARG 20 HD1 ARG 20 -6.829 6.188 -8.392 141 HE ARG 20 HE ARG 20 -8.284 3.930 -9.214 142 HH11 ARG 20 HH11 ARG 20 -8.567 6.725 -7.127 143 HH12 ARG 20 HH12 ARG 20 -10.297 6.781 -7.222 144 HH21 ARG 20 HH21 ARG 20 -10.578 4.004 -9.347 145 HH22 ARG 20 HH22 ARG 20 -11.435 5.247 -8.476 146 H ILE 21 HN ILE 21 -4.432 1.422 -6.100 147 HA ILE 21 HA ILE 21 -2.738 3.460 -5.146 148 HB ILE 21 HB ILE 21 -3.121 0.670 -4.039 149 HG12 ILE 21 HG12 ILE 21 -4.490 3.251 -3.247 150 HG13 ILE 21 HG11 ILE 21 -5.217 2.026 -4.281 151 HG21 ILE 21 HG21 ILE 21 -2.102 3.163 -2.677 152 HG22 ILE 21 HG22 ILE 21 -1.113 1.790 -3.177 153 HG23 ILE 21 HG23 ILE 21 -2.336 1.586 -1.925 154 HD11 ILE 21 HD11 ILE 21 -5.057 0.412 -2.424 155 HD12 ILE 21 HD12 ILE 21 -6.050 1.813 -2.031 156 HD13 ILE 21 HD13 ILE 21 -4.409 1.691 -1.396 157 H ALA 22 HN ALA 22 -2.081 0.115 -6.114 158 HA ALA 22 HA ALA 22 0.681 0.122 -5.643 159 HB1 ALA 22 HB1 ALA 22 -0.867 -1.470 -7.682 160 HB2 ALA 22 HB2 ALA 22 -0.633 -1.916 -5.991 161 HB3 ALA 22 HB3 ALA 22 0.750 -1.841 -7.085 162 H ARG 23 HN ARG 23 -1.207 1.051 -8.445 163 HA ARG 23 HA ARG 23 0.942 1.336 -10.255 164 HB2 ARG 23 HB2 ARG 23 -1.447 1.066 -10.878 165 HB3 ARG 23 HB1 ARG 23 -1.764 2.683 -10.272 166 HG2 ARG 23 HG2 ARG 23 -0.427 3.664 -11.983 167 HG3 ARG 23 HG1 ARG 23 0.150 2.079 -12.508 168 HD2 ARG 23 HD2 ARG 23 -1.584 2.887 -14.005 169 HD3 ARG 23 HD1 ARG 23 -2.135 1.461 -13.134 170 HE ARG 23 HE ARG 23 -2.936 4.219 -12.441 171 HH11 ARG 23 HH11 ARG 23 -3.638 0.788 -12.656 172 HH12 ARG 23 HH12 ARG 23 -5.312 0.980 -12.249 173 HH21 ARG 23 HH21 ARG 23 -5.130 4.465 -11.890 174 HH22 ARG 23 HH22 ARG 23 -6.165 3.070 -11.809 175 H ALA 24 HN ALA 24 -0.723 3.612 -8.118 176 HA ALA 24 HA ALA 24 0.636 5.933 -8.999 177 HB1 ALA 24 HB1 ALA 24 -1.478 6.036 -7.779 178 HB2 ALA 24 HB2 ALA 24 -0.227 6.977 -6.966 179 HB3 ALA 24 HB3 ALA 24 -0.685 5.393 -6.341 180 H ILE 25 HN ILE 25 1.168 3.746 -6.261 181 HA ILE 25 HA ILE 25 3.400 5.050 -5.181 182 HB ILE 25 HB ILE 25 2.700 2.107 -5.098 183 HG12 ILE 25 HG12 ILE 25 2.160 4.341 -3.122 184 HG13 ILE 25 HG11 ILE 25 0.960 3.574 -4.157 185 HG21 ILE 25 HG21 ILE 25 4.635 3.695 -3.413 186 HG22 ILE 25 HG22 ILE 25 5.035 2.414 -4.557 187 HG23 ILE 25 HG23 ILE 25 4.132 2.036 -3.089 188 HD11 ILE 25 HD11 ILE 25 0.852 2.736 -1.876 189 HD12 ILE 25 HD12 ILE 25 2.532 2.206 -1.986 190 HD13 ILE 25 HD13 ILE 25 1.304 1.460 -3.008 191 H ALA 26 HN ALA 26 3.142 2.506 -7.619 192 HA ALA 26 HA ALA 26 5.852 1.964 -7.991 193 HB1 ALA 26 HB1 ALA 26 3.618 1.883 -10.015 194 HB2 ALA 26 HB2 ALA 26 4.108 0.571 -8.943 195 HB3 ALA 26 HB3 ALA 26 5.201 1.130 -10.208 196 H ASP 27 HN ASP 27 3.810 4.496 -9.297 197 HA ASP 27 HA ASP 27 5.668 5.542 -11.161 198 HB2 ASP 27 HB2 ASP 27 3.317 6.091 -11.349 199 HB3 ASP 27 HB1 ASP 27 3.318 6.823 -9.749 200 H LEU 28 HN LEU 28 5.036 6.176 -7.758 201 HA LEU 28 HA LEU 28 6.722 8.486 -7.617 202 HB2 LEU 28 HB2 LEU 28 5.676 6.722 -5.401 203 HB3 LEU 28 HB1 LEU 28 6.418 8.293 -5.187 204 HG LEU 28 HG LEU 28 3.810 7.777 -6.623 205 HD11 LEU 28 HD11 LEU 28 4.365 8.997 -3.925 206 HD12 LEU 28 HD12 LEU 28 3.649 7.412 -4.219 207 HD13 LEU 28 HD13 LEU 28 2.787 8.873 -4.702 208 HD21 LEU 28 HD21 LEU 28 5.209 10.358 -5.917 209 HD22 LEU 28 HD22 LEU 28 3.589 10.227 -6.595 210 HD23 LEU 28 HD23 LEU 28 4.984 9.707 -7.540 211 H LEU 29 HN LEU 29 7.160 5.069 -7.316 212 HA LEU 29 HA LEU 29 9.842 5.393 -6.208 213 HB2 LEU 29 HB2 LEU 29 8.295 2.887 -6.888 214 HB3 LEU 29 HB1 LEU 29 9.837 2.944 -6.053 215 HG LEU 29 HG LEU 29 7.245 4.080 -5.010 216 HD11 LEU 29 HD11 LEU 29 7.261 1.634 -5.073 217 HD12 LEU 29 HD12 LEU 29 7.297 2.249 -3.421 218 HD13 LEU 29 HD13 LEU 29 8.772 1.626 -4.161 219 HD21 LEU 29 HD21 LEU 29 9.987 3.890 -3.773 220 HD22 LEU 29 HD22 LEU 29 8.516 4.274 -2.880 221 HD23 LEU 29 HD23 LEU 29 9.083 5.358 -4.149 222 H ASN 30 HN ASN 30 8.674 5.846 -9.110 223 HA ASN 30 HA ASN 30 9.530 5.895 -11.207 224 HB2 ASN 30 HB2 ASN 30 12.115 5.334 -9.744 225 HB3 ASN 30 HB1 ASN 30 12.009 5.815 -11.435 226 HD21 ASN 30 HD21 ASN 30 13.257 7.147 -9.114 227 HD22 ASN 30 HD22 ASN 30 12.550 8.722 -9.060 228 H HIS 31 HN HIS 31 8.617 3.328 -10.051 229 HA HIS 31 HA HIS 31 8.427 1.145 -10.600 230 HB2 HIS 31 HB2 HIS 31 9.570 2.174 -13.195 231 HB3 HIS 31 HB1 HIS 31 9.049 0.505 -12.979 232 HD1 HIS 31 HD1 HIS 31 6.484 0.094 -12.661 233 HD2 HIS 31 HD2 HIS 31 7.531 4.023 -13.536 234 HE1 HIS 31 HE1 HIS 31 4.335 1.247 -13.287 235 HE2 HIS 31 HE2 HIS 31 4.976 3.658 -13.669 236 H ARG 32 HN ARG 32 11.185 2.272 -9.619 237 HA ARG 32 HA ARG 32 12.950 0.154 -10.481 238 HB2 ARG 32 HB2 ARG 32 13.276 2.212 -8.288 239 HB3 ARG 32 HB1 ARG 32 14.527 1.093 -8.803 240 HG2 ARG 32 HG2 ARG 32 13.258 3.212 -10.525 241 HG3 ARG 32 HG1 ARG 32 14.836 3.324 -9.745 242 HD2 ARG 32 HD2 ARG 32 14.043 1.269 -11.805 243 HD3 ARG 32 HD1 ARG 32 15.002 2.712 -12.120 244 HE ARG 32 HE ARG 32 16.312 1.359 -10.106 245 HH11 ARG 32 HH11 ARG 32 15.349 0.681 -13.399 246 HH12 ARG 32 HH12 ARG 32 16.694 -0.369 -13.713 247 HH21 ARG 32 HH21 ARG 32 18.075 -0.032 -10.503 248 HH22 ARG 32 HH22 ARG 32 18.241 -0.788 -12.055 249 H ALA 33 HN ALA 33 10.777 0.828 -7.889 250 HA ALA 33 HA ALA 33 11.347 -1.795 -6.704 251 HB1 ALA 33 HB1 ALA 33 9.710 0.499 -5.621 252 HB2 ALA 33 HB2 ALA 33 11.340 0.060 -5.112 253 HB3 ALA 33 HB3 ALA 33 9.993 -1.035 -4.802 254 H HIS 34 HN HIS 34 9.669 -3.319 -6.547 255 HA HIS 34 HA HIS 34 7.555 -2.854 -8.539 256 HB2 HIS 34 HB2 HIS 34 9.195 -4.708 -8.977 257 HB3 HIS 34 HB1 HIS 34 8.623 -5.501 -7.513 258 HD1 HIS 34 HD1 HIS 34 7.646 -4.757 -11.042 259 HD2 HIS 34 HD2 HIS 34 6.118 -6.755 -7.728 260 HE1 HIS 34 HE1 HIS 34 5.710 -6.115 -11.901 261 HE2 HIS 34 HE2 HIS 34 4.765 -7.268 -9.871 262 H THR 35 HN THR 35 5.461 -3.042 -8.007 263 HA THR 35 HA THR 35 4.853 -3.781 -5.225 264 HB THR 35 HB THR 35 2.777 -2.431 -5.522 265 HG1 THR 35 HG1 THR 35 2.958 -0.893 -7.387 266 HG21 THR 35 HG21 THR 35 3.854 -0.273 -5.289 267 HG22 THR 35 HG22 THR 35 5.312 -0.883 -6.073 268 HG23 THR 35 HG23 THR 35 4.840 -1.503 -4.492 269 H ASP 36 HN ASP 36 3.237 -5.265 -4.823 270 HA ASP 36 HA ASP 36 1.875 -6.433 -7.148 271 HB2 ASP 36 HB2 ASP 36 3.811 -7.890 -6.618 272 HB3 ASP 36 HB1 ASP 36 3.224 -8.052 -4.966 273 H VAL 37 HN VAL 37 -0.229 -6.539 -6.834 274 HA VAL 37 HA VAL 37 -1.266 -5.989 -4.176 275 HB VAL 37 HB VAL 37 -2.705 -6.167 -6.827 276 HG11 VAL 37 HG11 VAL 37 -3.685 -5.192 -4.146 277 HG12 VAL 37 HG12 VAL 37 -4.187 -6.673 -4.962 278 HG13 VAL 37 HG13 VAL 37 -4.578 -5.103 -5.664 279 HG21 VAL 37 HG21 VAL 37 -1.159 -4.291 -6.763 280 HG22 VAL 37 HG22 VAL 37 -1.836 -3.763 -5.224 281 HG23 VAL 37 HG23 VAL 37 -2.824 -3.718 -6.681 282 H VAL 38 HN VAL 38 -1.466 -7.729 -2.922 283 HA VAL 38 HA VAL 38 -2.326 -10.295 -3.734 284 HB VAL 38 HB VAL 38 -2.772 -8.963 -1.050 285 HG11 VAL 38 HG11 VAL 38 -2.849 -11.251 -0.178 286 HG12 VAL 38 HG12 VAL 38 -2.725 -11.873 -1.825 287 HG13 VAL 38 HG13 VAL 38 -4.140 -10.939 -1.337 288 HG21 VAL 38 HG21 VAL 38 -0.457 -10.628 -2.024 289 HG22 VAL 38 HG22 VAL 38 -0.712 -10.126 -0.354 290 HG23 VAL 38 HG23 VAL 38 -0.420 -8.917 -1.603 291 H GLY 39 HN GLY 39 -4.156 -10.526 -4.874 292 HA2 GLY 39 HA2 GLY 39 -6.269 -8.562 -4.568 293 HA3 GLY 39 HA1 GLY 39 -6.143 -9.774 -5.835 294 H TYR 40 HN TYR 40 -8.506 -9.170 -4.530 295 HA TYR 40 HA TYR 40 -8.991 -11.310 -2.622 296 HB2 TYR 40 HB2 TYR 40 -10.110 -9.197 -2.178 297 HB3 TYR 40 HB1 TYR 40 -10.828 -9.204 -3.790 298 HD1 TYR 40 HD1 TYR 40 -10.724 -11.260 -0.661 299 HD2 TYR 40 HD2 TYR 40 -12.990 -10.021 -4.050 300 HE1 TYR 40 HE1 TYR 40 -12.693 -12.430 0.231 301 HE2 TYR 40 HE2 TYR 40 -14.964 -11.189 -3.160 302 HH TYR 40 HH TYR 40 -15.496 -12.999 -1.626 303 H GLY 41 HN GLY 41 -9.346 -13.277 -3.334 304 HA2 GLY 41 HA2 GLY 41 -11.184 -13.650 -5.587 305 HA3 GLY 41 HA1 GLY 41 -9.615 -14.454 -5.634 306 H GLY 42 HN GLY 42 -12.754 -14.959 -4.967 307 HA2 GLY 42 HA2 GLY 42 -13.823 -16.775 -4.058 308 HA3 GLY 42 HA1 GLY 42 -12.243 -17.474 -3.730 309 H HIS 43 HN HIS 43 -11.454 -17.429 -1.680 310 HA HIS 43 HA HIS 43 -12.639 -15.686 0.313 311 HB2 HIS 43 HB2 HIS 43 -14.171 -17.679 0.147 312 HB3 HIS 43 HB1 HIS 43 -12.821 -18.698 0.630 313 HD1 HIS 43 HD1 HIS 43 -15.342 -16.300 1.954 314 HD2 HIS 43 HD2 HIS 43 -12.112 -18.507 3.367 315 HE1 HIS 43 HE1 HIS 43 -15.522 -16.234 4.461 316 HE2 HIS 43 HE2 HIS 43 -13.688 -17.756 5.276 317 H GLY 44 HN GLY 44 -11.314 -15.445 2.121 318 HA2 GLY 44 HA2 GLY 44 -9.454 -15.731 3.466 319 HA3 GLY 44 HA1 GLY 44 -9.094 -17.210 2.591 320 H HIS 45 HN HIS 45 -9.510 -13.992 1.219 321 HA HIS 45 HA HIS 45 -6.630 -13.820 0.746 322 HB2 HIS 45 HB2 HIS 45 -8.755 -13.799 -1.388 323 HB3 HIS 45 HB1 HIS 45 -7.214 -12.986 -1.631 324 HD1 HIS 45 HD1 HIS 45 -8.754 -16.060 -2.416 325 HD2 HIS 45 HD2 HIS 45 -5.002 -15.002 -0.957 326 HE1 HIS 45 HE1 HIS 45 -7.256 -18.020 -2.904 327 HE2 HIS 45 HE2 HIS 45 -5.019 -17.399 -1.915 328 HA PRO 46 HA PRO 46 -8.199 -9.800 2.210 329 HB2 PRO 46 HB2 PRO 46 -6.010 -9.190 3.680 330 HB3 PRO 46 HB1 PRO 46 -7.295 -10.254 4.281 331 HG2 PRO 46 HG2 PRO 46 -4.617 -10.958 3.148 332 HG3 PRO 46 HG1 PRO 46 -5.483 -11.686 4.511 333 HD2 PRO 46 HD2 PRO 46 -5.395 -12.771 1.998 334 HD3 PRO 46 HD1 PRO 46 -6.705 -13.061 3.156 335 H THR 47 HN THR 47 -8.082 -8.228 0.749 336 HA THR 47 HA THR 47 -6.009 -7.986 -1.139 337 HB THR 47 HB THR 47 -8.040 -5.863 -0.428 338 HG1 THR 47 HG1 THR 47 -8.262 -8.248 -1.957 339 HG21 THR 47 HG21 THR 47 -6.639 -6.530 -3.029 340 HG22 THR 47 HG22 THR 47 -6.274 -5.152 -1.991 341 HG23 THR 47 HG23 THR 47 -7.837 -5.257 -2.801 342 H GLN 48 HN GLN 48 -4.182 -6.878 -1.133 343 HA GLN 48 HA GLN 48 -3.678 -4.548 0.412 344 HB2 GLN 48 HB2 GLN 48 -1.979 -5.441 1.925 345 HB3 GLN 48 HB1 GLN 48 -3.538 -6.188 2.237 346 HG2 GLN 48 HG2 GLN 48 -2.804 -8.148 0.905 347 HG3 GLN 48 HG1 GLN 48 -1.213 -7.401 0.763 348 HE21 GLN 48 HE21 GLN 48 -3.434 -9.044 2.856 349 HE22 GLN 48 HE22 GLN 48 -2.338 -9.286 4.173 350 H VAL 49 HN VAL 49 -1.502 -3.701 -0.009 351 HA VAL 49 HA VAL 49 -0.380 -4.953 -2.422 352 HB VAL 49 HB VAL 49 -1.453 -2.835 -2.968 353 HG11 VAL 49 HG11 VAL 49 -0.572 -0.707 -2.120 354 HG12 VAL 49 HG12 VAL 49 0.473 -1.594 -1.011 355 HG13 VAL 49 HG13 VAL 49 -1.280 -1.690 -0.838 356 HG21 VAL 49 HG21 VAL 49 0.512 -3.513 -4.238 357 HG22 VAL 49 HG22 VAL 49 1.557 -2.676 -3.088 358 HG23 VAL 49 HG23 VAL 49 0.436 -1.757 -4.092 359 H ARG 50 HN ARG 50 1.548 -5.745 -2.202 360 HA ARG 50 HA ARG 50 3.285 -4.744 -0.079 361 HB2 ARG 50 HB2 ARG 50 4.670 -6.761 -0.573 362 HB3 ARG 50 HB1 ARG 50 3.030 -7.128 -0.060 363 HG2 ARG 50 HG2 ARG 50 2.384 -7.560 -2.364 364 HG3 ARG 50 HG1 ARG 50 4.011 -7.137 -2.904 365 HD2 ARG 50 HD2 ARG 50 3.607 -9.588 -2.730 366 HD3 ARG 50 HD1 ARG 50 4.957 -9.008 -1.757 367 HE ARG 50 HE ARG 50 2.526 -9.099 -0.257 368 HH11 ARG 50 HH11 ARG 50 5.113 -11.087 -1.510 369 HH12 ARG 50 HH12 ARG 50 4.981 -12.277 -0.257 370 HH21 ARG 50 HH21 ARG 50 2.349 -10.661 1.406 371 HH22 ARG 50 HH22 ARG 50 3.419 -12.027 1.414 372 H ILE 51 HN ILE 51 5.220 -3.826 -0.411 373 HA ILE 51 HA ILE 51 5.984 -3.265 -3.196 374 HB ILE 51 HB ILE 51 6.930 -1.751 -0.756 375 HG12 ILE 51 HG12 ILE 51 4.635 -1.048 -2.602 376 HG13 ILE 51 HG11 ILE 51 4.469 -1.574 -0.931 377 HG21 ILE 51 HG21 ILE 51 7.528 -0.040 -2.395 378 HG22 ILE 51 HG22 ILE 51 6.898 -1.051 -3.693 379 HG23 ILE 51 HG23 ILE 51 8.310 -1.575 -2.774 380 HD11 ILE 51 HD11 ILE 51 5.717 0.430 -0.220 381 HD12 ILE 51 HD12 ILE 51 4.217 0.809 -1.063 382 HD13 ILE 51 HD13 ILE 51 5.761 0.964 -1.900 383 H VAL 52 HN VAL 52 7.599 -4.491 -3.869 384 HA VAL 52 HA VAL 52 9.593 -5.426 -1.914 385 HB VAL 52 HB VAL 52 8.652 -6.897 -4.391 386 HG11 VAL 52 HG11 VAL 52 9.926 -8.784 -3.533 387 HG12 VAL 52 HG12 VAL 52 10.456 -7.820 -2.155 388 HG13 VAL 52 HG13 VAL 52 10.971 -7.387 -3.786 389 HG21 VAL 52 HG21 VAL 52 8.013 -7.454 -1.497 390 HG22 VAL 52 HG22 VAL 52 7.554 -8.461 -2.870 391 HG23 VAL 52 HG23 VAL 52 6.892 -6.834 -2.709 392 H ALA 53 HN ALA 53 11.713 -5.253 -2.461 393 HA ALA 53 HA ALA 53 12.348 -3.863 -4.968 394 HB1 ALA 53 HB1 ALA 53 13.196 -2.847 -2.913 395 HB2 ALA 53 HB2 ALA 53 14.523 -3.398 -3.936 396 HB3 ALA 53 HB3 ALA 53 14.053 -4.337 -2.519 397 HA PRO 54 HA PRO 54 13.587 -8.083 -6.156 398 HB2 PRO 54 HB2 PRO 54 13.427 -7.152 -8.902 399 HB3 PRO 54 HB1 PRO 54 12.399 -8.327 -8.070 400 HG2 PRO 54 HG2 PRO 54 11.533 -5.864 -8.874 401 HG3 PRO 54 HG1 PRO 54 10.840 -6.750 -7.505 402 HD2 PRO 54 HD2 PRO 54 12.816 -4.496 -7.500 403 HD3 PRO 54 HD1 PRO 54 11.439 -4.796 -6.416 404 H HIS 55 HN HIS 55 15.591 -6.563 -5.247 405 HA HIS 55 HA HIS 55 17.677 -7.119 -7.208 406 HB2 HIS 55 HB2 HIS 55 17.084 -4.448 -6.032 407 HB3 HIS 55 HB1 HIS 55 18.775 -4.908 -6.173 408 HD1 HIS 55 HD1 HIS 55 15.804 -3.926 -8.201 409 HD2 HIS 55 HD2 HIS 55 19.742 -5.097 -8.811 410 HE1 HIS 55 HE1 HIS 55 16.310 -3.383 -10.600 411 HE2 HIS 55 HE2 HIS 55 18.635 -4.255 -10.987 412 H ALA 56 HN ALA 56 18.492 -8.814 -6.103 413 HA ALA 56 HA ALA 56 18.863 -8.723 -3.244 414 HB1 ALA 56 HB1 ALA 56 18.223 -10.807 -4.384 415 HB2 ALA 56 HB2 ALA 56 19.723 -10.979 -3.476 416 HB3 ALA 56 HB3 ALA 56 19.772 -10.806 -5.230 417 H GLU 57 HN GLU 57 21.139 -9.609 -2.503 418 HA GLU 57 HA GLU 57 23.321 -9.136 -2.125 419 HB2 GLU 57 HB2 GLU 57 23.301 -8.687 -5.112 420 HB3 GLU 57 HB1 GLU 57 24.763 -8.708 -4.135 421 HG2 GLU 57 HG2 GLU 57 22.831 -10.988 -4.502 422 HG3 GLU 57 HG1 GLU 57 24.422 -10.835 -5.243 423 H HIS 58 HN HIS 58 21.717 -7.178 -1.355 424 HA HIS 58 HA HIS 58 23.097 -4.727 -2.241 425 HB2 HIS 58 HB2 HIS 58 20.617 -4.900 -2.816 426 HB3 HIS 58 HB1 HIS 58 20.302 -4.798 -1.087 427 HD1 HIS 58 HD1 HIS 58 20.951 -2.751 -4.050 428 HD2 HIS 58 HD2 HIS 58 21.143 -2.254 0.073 429 HE1 HIS 58 HE1 HIS 58 21.033 -0.274 -3.669 430 HE2 HIS 58 HE2 HIS 58 20.970 0.009 -1.170 431 H VAL 59 HN VAL 59 24.595 -5.664 -0.537 432 HA VAL 59 HA VAL 59 23.722 -5.207 2.204 433 HB VAL 59 HB VAL 59 26.463 -6.057 1.252 434 HG11 VAL 59 HG11 VAL 59 25.111 -6.260 3.940 435 HG12 VAL 59 HG12 VAL 59 26.452 -5.196 3.516 436 HG13 VAL 59 HG13 VAL 59 26.686 -6.944 3.539 437 HG21 VAL 59 HG21 VAL 59 25.765 -8.355 1.786 438 HG22 VAL 59 HG22 VAL 59 24.824 -7.667 0.464 439 HG23 VAL 59 HG23 VAL 59 24.125 -7.776 2.079 440 H ARG 60 HN ARG 60 23.379 -2.909 1.493 441 HA ARG 60 HA ARG 60 25.859 -1.357 1.866 442 HB2 ARG 60 HB2 ARG 60 24.620 -1.303 -0.449 443 HB3 ARG 60 HB1 ARG 60 23.490 -0.254 0.387 444 HG2 ARG 60 HG2 ARG 60 25.105 1.071 -0.796 445 HG3 ARG 60 HG1 ARG 60 25.346 1.263 0.940 446 HD2 ARG 60 HD2 ARG 60 27.472 1.005 -0.314 447 HD3 ARG 60 HD1 ARG 60 27.227 -0.252 0.896 448 HE ARG 60 HE ARG 60 26.271 -1.039 -1.680 449 HH11 ARG 60 HH11 ARG 60 29.162 -0.747 0.277 450 HH12 ARG 60 HH12 ARG 60 30.024 -1.982 -0.585 451 HH21 ARG 60 HH21 ARG 60 27.404 -2.654 -2.828 452 HH22 ARG 60 HH22 ARG 60 29.025 -3.066 -2.358 453 H GLY 61 HN GLY 61 25.505 -1.271 4.099 454 HA2 GLY 61 HA2 GLY 61 24.722 0.040 5.912 455 HA3 GLY 61 HA1 GLY 61 23.294 0.452 4.962 456 H TYR 62 HN TYR 62 21.537 -0.947 4.924 457 HA TYR 62 HA TYR 62 21.685 -3.208 6.801 458 HB2 TYR 62 HB2 TYR 62 19.182 -1.982 5.606 459 HB3 TYR 62 HB1 TYR 62 19.269 -3.143 6.928 460 HD1 TYR 62 HD2 TYR 62 20.794 -2.270 8.963 461 HD2 TYR 62 HD1 TYR 62 18.752 0.222 6.179 462 HE1 TYR 62 HE2 TYR 62 20.831 -0.428 10.590 463 HE2 TYR 62 HE1 TYR 62 18.792 2.072 7.801 464 HH TYR 62 HH TYR 62 18.948 2.298 10.334 465 H ALA 63 HN ALA 63 21.547 -5.251 6.035 466 HA ALA 63 HA ALA 63 21.425 -5.594 3.146 467 HB1 ALA 63 HB1 ALA 63 23.214 -6.678 4.426 468 HB2 ALA 63 HB2 ALA 63 22.213 -7.852 3.573 469 HB3 ALA 63 HB3 ALA 63 22.008 -7.612 5.308 470 H HIS 64 HN HIS 64 18.988 -4.860 4.370 471 HA HIS 64 HA HIS 64 17.410 -7.337 4.106 472 HB2 HIS 64 HB2 HIS 64 16.752 -4.883 5.762 473 HB3 HIS 64 HB1 HIS 64 15.716 -6.296 5.572 474 HD1 HIS 64 HD1 HIS 64 16.143 -8.259 7.095 475 HD2 HIS 64 HD2 HIS 64 19.117 -5.364 7.316 476 HE1 HIS 64 HE1 HIS 64 17.593 -8.924 9.041 477 HE2 HIS 64 HE2 HIS 64 19.464 -7.236 9.063 478 HA PRO 65 HA PRO 65 16.058 -5.098 0.415 479 HB2 PRO 65 HB2 PRO 65 14.369 -7.528 0.215 480 HB3 PRO 65 HB1 PRO 65 15.449 -6.807 -0.982 481 HG2 PRO 65 HG2 PRO 65 16.121 -9.051 0.290 482 HG3 PRO 65 HG1 PRO 65 17.333 -7.810 -0.080 483 HD2 PRO 65 HD2 PRO 65 15.971 -8.417 2.514 484 HD3 PRO 65 HD1 PRO 65 17.664 -7.974 2.205 485 H LEU 66 HN LEU 66 14.275 -3.890 -0.013 486 HA LEU 66 HA LEU 66 12.378 -3.365 1.974 487 HB2 LEU 66 HB2 LEU 66 12.955 -1.745 0.268 488 HB3 LEU 66 HB1 LEU 66 12.320 -2.791 -0.986 489 HG LEU 66 HG LEU 66 10.050 -2.534 0.053 490 HD11 LEU 66 HD11 LEU 66 10.751 -1.872 2.291 491 HD12 LEU 66 HD12 LEU 66 9.691 -0.660 1.572 492 HD13 LEU 66 HD13 LEU 66 11.431 -0.378 1.645 493 HD21 LEU 66 HD21 LEU 66 11.414 -0.014 -0.879 494 HD22 LEU 66 HD22 LEU 66 9.676 -0.318 -0.884 495 HD23 LEU 66 HD23 LEU 66 10.741 -1.272 -1.916 496 H ASN 67 HN ASN 67 10.704 -4.507 2.609 497 HA ASN 67 HA ASN 67 9.014 -5.864 0.670 498 HB2 ASN 67 HB2 ASN 67 10.686 -7.565 1.504 499 HB3 ASN 67 HB1 ASN 67 10.038 -7.317 3.126 500 HD21 ASN 67 HD21 ASN 67 7.922 -8.013 3.583 501 HD22 ASN 67 HD22 ASN 67 7.130 -9.193 2.597 502 H LEU 68 HN LEU 68 7.493 -4.331 1.123 503 HA LEU 68 HA LEU 68 6.596 -4.083 3.919 504 HB2 LEU 68 HB2 LEU 68 7.437 -1.987 3.152 505 HB3 LEU 68 HB1 LEU 68 6.608 -2.135 1.617 506 HG LEU 68 HG LEU 68 4.437 -1.884 2.832 507 HD11 LEU 68 HD11 LEU 68 4.493 -0.950 5.093 508 HD12 LEU 68 HD12 LEU 68 6.236 -1.216 5.154 509 HD13 LEU 68 HD13 LEU 68 5.135 -2.591 5.040 510 HD21 LEU 68 HD21 LEU 68 5.458 -0.010 1.691 511 HD22 LEU 68 HD22 LEU 68 6.435 0.353 3.113 512 HD23 LEU 68 HD23 LEU 68 4.682 0.531 3.178 513 H ALA 69 HN ALA 69 4.554 -4.585 4.408 514 HA ALA 69 HA ALA 69 2.673 -5.036 2.180 515 HB1 ALA 69 HB1 ALA 69 2.575 -6.239 4.943 516 HB2 ALA 69 HB2 ALA 69 3.211 -7.048 3.511 517 HB3 ALA 69 HB3 ALA 69 1.502 -6.611 3.593 518 H LEU 70 HN LEU 70 1.333 -3.398 1.955 519 HA LEU 70 HA LEU 70 0.627 -1.736 4.247 520 HB2 LEU 70 HB2 LEU 70 0.156 -1.416 1.279 521 HB3 LEU 70 HB1 LEU 70 -0.423 -0.280 2.483 522 HG LEU 70 HG LEU 70 2.502 -0.925 2.084 523 HD11 LEU 70 HD11 LEU 70 2.641 1.192 0.882 524 HD12 LEU 70 HD12 LEU 70 0.886 1.357 0.965 525 HD13 LEU 70 HD13 LEU 70 1.606 0.036 0.044 526 HD21 LEU 70 HD21 LEU 70 1.039 1.263 3.552 527 HD22 LEU 70 HD22 LEU 70 2.780 1.233 3.277 528 HD23 LEU 70 HD23 LEU 70 2.021 -0.018 4.263 529 H THR 71 HN THR 71 -1.199 -2.094 5.333 530 HA THR 71 HA THR 71 -3.509 -3.114 3.822 531 HB THR 71 HB THR 71 -4.285 -4.194 5.970 532 HG1 THR 71 HG1 THR 71 -1.781 -3.222 6.785 533 HG21 THR 71 HG21 THR 71 -3.311 -5.558 4.210 534 HG22 THR 71 HG22 THR 71 -2.797 -6.152 5.788 535 HG23 THR 71 HG23 THR 71 -1.689 -5.199 4.799 536 H TRP 72 HN TRP 72 -5.553 -2.299 4.465 537 HA TRP 72 HA TRP 72 -5.411 0.142 6.100 538 HB2 TRP 72 HB2 TRP 72 -6.776 -0.260 3.434 539 HB3 TRP 72 HB1 TRP 72 -7.181 1.076 4.515 540 HD1 TRP 72 HD1 TRP 72 -5.362 3.020 4.799 541 HE1 TRP 72 HE1 TRP 72 -3.349 3.720 3.358 542 HE3 TRP 72 HE3 TRP 72 -4.927 -1.180 1.910 543 HZ2 TRP 72 HZ2 TRP 72 -1.795 2.645 1.269 544 HZ3 TRP 72 HZ3 TRP 72 -3.148 -1.258 0.211 545 HH2 TRP 72 HH2 TRP 72 -1.616 0.618 -0.095 546 H ASN 73 HN ASN 73 -7.340 0.769 7.130 547 HA ASN 73 HA ASN 73 -8.682 -1.303 8.433 548 HB2 ASN 73 HB2 ASN 73 -9.481 1.597 8.130 549 HB3 ASN 73 HB1 ASN 73 -10.158 0.481 9.311 550 HD21 ASN 73 HD21 ASN 73 -8.710 2.994 9.667 551 HD22 ASN 73 HD22 ASN 73 -7.346 2.614 10.669 552 H THR 74 HN THR 74 -10.421 -2.454 7.970 553 HA THR 74 HA THR 74 -11.579 -2.542 5.441 554 HB THR 74 HB THR 74 -12.901 -3.505 7.981 555 HG1 THR 74 HG1 THR 74 -11.374 -5.331 6.625 556 HG21 THR 74 HG21 THR 74 -13.802 -5.265 6.550 557 HG22 THR 74 HG22 THR 74 -12.955 -4.591 5.159 558 HG23 THR 74 HG23 THR 74 -14.252 -3.677 5.930 559 H ASP 75 HN ASP 75 -12.498 -0.721 8.295 560 HA ASP 75 HA ASP 75 -15.079 0.054 7.431 561 HB2 ASP 75 HB2 ASP 75 -13.168 1.472 9.303 562 HB3 ASP 75 HB1 ASP 75 -14.878 1.848 9.119 563 H GLU 76 HN GLU 76 -11.921 1.644 7.227 564 HA GLU 76 HA GLU 76 -12.642 3.865 5.725 565 HB2 GLU 76 HB2 GLU 76 -10.137 2.308 6.090 566 HB3 GLU 76 HB1 GLU 76 -10.199 3.404 4.720 567 HG2 GLU 76 HG2 GLU 76 -9.181 4.373 6.757 568 HG3 GLU 76 HG1 GLU 76 -10.559 5.281 6.140 569 H ILE 77 HN ILE 77 -11.782 0.605 4.631 570 HA ILE 77 HA ILE 77 -11.981 1.031 1.874 571 HB ILE 77 HB ILE 77 -12.688 -1.477 3.412 572 HG12 ILE 77 HG12 ILE 77 -10.064 -0.590 2.172 573 HG13 ILE 77 HG11 ILE 77 -10.408 -0.727 3.895 574 HG21 ILE 77 HG21 ILE 77 -12.197 -2.655 1.307 575 HG22 ILE 77 HG22 ILE 77 -11.981 -1.102 0.501 576 HG23 ILE 77 HG23 ILE 77 -13.560 -1.547 1.144 577 HD11 ILE 77 HD11 ILE 77 -9.089 -2.607 3.101 578 HD12 ILE 77 HD12 ILE 77 -10.343 -3.006 1.927 579 HD13 ILE 77 HD13 ILE 77 -10.677 -3.141 3.650 580 H GLU 78 HN GLU 78 -14.446 0.145 4.237 581 HA GLU 78 HA GLU 78 -16.634 -0.146 2.508 582 HB2 GLU 78 HB2 GLU 78 -16.661 -0.877 4.847 583 HB3 GLU 78 HB1 GLU 78 -16.536 0.790 5.386 584 HG2 GLU 78 HG2 GLU 78 -18.734 1.221 4.261 585 HG3 GLU 78 HG1 GLU 78 -18.858 -0.520 4.001 586 H ARG 79 HN ARG 79 -15.350 2.663 4.202 587 HA ARG 79 HA ARG 79 -17.330 4.507 3.632 588 HB2 ARG 79 HB2 ARG 79 -15.052 4.586 5.049 589 HB3 ARG 79 HB1 ARG 79 -14.528 5.480 3.628 590 HG2 ARG 79 HG2 ARG 79 -15.324 7.002 5.318 591 HG3 ARG 79 HG1 ARG 79 -16.413 7.030 3.929 592 HD2 ARG 79 HD2 ARG 79 -17.633 7.005 6.065 593 HD3 ARG 79 HD1 ARG 79 -17.975 5.578 5.091 594 HE ARG 79 HE ARG 79 -16.069 5.558 7.346 595 HH11 ARG 79 HH11 ARG 79 -18.700 4.082 5.544 596 HH12 ARG 79 HH12 ARG 79 -18.784 2.682 6.570 597 HH21 ARG 79 HH21 ARG 79 -16.186 3.715 8.691 598 HH22 ARG 79 HH22 ARG 79 -17.365 2.484 8.363 599 H LEU 80 HN LEU 80 -14.851 3.256 1.547 600 HA LEU 80 HA LEU 80 -14.783 5.370 -0.338 601 HB2 LEU 80 HB2 LEU 80 -14.183 2.435 -0.736 602 HB3 LEU 80 HB1 LEU 80 -13.750 3.721 -1.847 603 HG LEU 80 HG LEU 80 -12.694 3.380 0.964 604 HD11 LEU 80 HD11 LEU 80 -10.569 2.898 -0.143 605 HD12 LEU 80 HD12 LEU 80 -11.363 2.999 -1.714 606 HD13 LEU 80 HD13 LEU 80 -11.809 1.723 -0.581 607 HD21 LEU 80 HD21 LEU 80 -12.014 5.426 -1.147 608 HD22 LEU 80 HD22 LEU 80 -11.162 5.210 0.381 609 HD23 LEU 80 HD23 LEU 80 -12.844 5.736 0.377 610 H MET 81 HN MET 81 -17.174 3.070 0.345 611 HA MET 81 HA MET 81 -18.365 2.857 -2.233 612 HB2 MET 81 HB2 MET 81 -19.430 2.429 0.557 613 HB3 MET 81 HB1 MET 81 -20.439 2.235 -0.866 614 HG2 MET 81 HG2 MET 81 -17.905 0.703 -0.320 615 HG3 MET 81 HG1 MET 81 -19.541 0.107 -0.042 616 HE1 MET 81 HE1 MET 81 -20.968 -0.005 -3.703 617 HE2 MET 81 HE2 MET 81 -21.024 1.415 -2.662 618 HE3 MET 81 HE3 MET 81 -21.331 -0.185 -1.987 619 H GLU 82 HN GLU 82 -18.261 5.346 0.093 620 HA GLU 82 HA GLU 82 -20.501 6.751 -1.191 621 HB2 GLU 82 HB2 GLU 82 -19.082 7.269 1.437 622 HB3 GLU 82 HB1 GLU 82 -20.360 8.287 0.784 623 HG2 GLU 82 HG2 GLU 82 -20.610 5.404 1.599 624 HG3 GLU 82 HG1 GLU 82 -21.218 6.798 2.481 625 H ALA 83 HN ALA 83 -20.190 8.936 -1.854 626 HA ALA 83 HA ALA 83 -17.780 9.294 -3.289 627 HB1 ALA 83 HB1 ALA 83 -18.729 11.419 -3.998 628 HB2 ALA 83 HB2 ALA 83 -19.973 11.292 -2.757 629 HB3 ALA 83 HB3 ALA 83 -19.934 10.135 -4.086 630 H ASP 84 HN ASP 84 -18.864 10.415 -0.174 631 HA ASP 84 HA ASP 84 -16.945 12.467 0.192 632 HB2 ASP 84 HB2 ASP 84 -18.228 10.723 2.318 633 HB3 ASP 84 HB1 ASP 84 -17.418 12.260 2.590 634 H GLY 85 HN GLY 85 -16.916 9.006 0.664 635 HA2 GLY 85 HA2 GLY 85 -14.395 8.910 2.019 636 HA3 GLY 85 HA1 GLY 85 -15.258 7.545 1.313 637 H ALA 86 HN ALA 86 -15.441 8.242 -1.323 638 HA ALA 86 HA ALA 86 -12.993 7.670 -2.434 639 HB1 ALA 86 HB1 ALA 86 -15.204 9.233 -3.756 640 HB2 ALA 86 HB2 ALA 86 -15.174 7.480 -3.579 641 HB3 ALA 86 HB3 ALA 86 -13.952 8.288 -4.559 642 H ALA 87 HN ALA 87 -14.416 10.844 -1.782 643 HA ALA 87 HA ALA 87 -12.444 12.422 -2.991 644 HB1 ALA 87 HB1 ALA 87 -14.113 13.064 -0.564 645 HB2 ALA 87 HB2 ALA 87 -14.603 13.299 -2.242 646 HB3 ALA 87 HB3 ALA 87 -13.260 14.228 -1.576 647 H ARG 88 HN ARG 88 -12.604 10.929 0.187 648 HA ARG 88 HA ARG 88 -10.348 12.284 1.277 649 HB2 ARG 88 HB2 ARG 88 -12.143 11.170 2.621 650 HB3 ARG 88 HB1 ARG 88 -11.518 9.615 2.093 651 HG2 ARG 88 HG2 ARG 88 -10.744 10.136 4.329 652 HG3 ARG 88 HG1 ARG 88 -9.388 10.096 3.199 653 HD2 ARG 88 HD2 ARG 88 -9.241 11.985 4.768 654 HD3 ARG 88 HD1 ARG 88 -9.362 12.517 3.093 655 HE ARG 88 HE ARG 88 -11.934 12.408 4.254 656 HH11 ARG 88 HH11 ARG 88 -8.988 14.299 4.385 657 HH12 ARG 88 HH12 ARG 88 -9.805 15.766 4.807 658 HH21 ARG 88 HH21 ARG 88 -13.003 14.349 4.799 659 HH22 ARG 88 HH22 ARG 88 -12.079 15.799 5.042 660 H PHE 89 HN PHE 89 -10.846 9.311 -0.496 661 HA PHE 89 HA PHE 89 -8.299 8.173 -0.231 662 HB2 PHE 89 HB2 PHE 89 -10.213 6.940 -1.129 663 HB3 PHE 89 HB1 PHE 89 -10.262 8.005 -2.531 664 HD1 PHE 89 HD2 PHE 89 -8.316 5.371 -0.835 665 HD2 PHE 89 HD1 PHE 89 -8.850 7.638 -4.399 666 HE1 PHE 89 HE2 PHE 89 -6.795 3.865 -2.020 667 HE2 PHE 89 HE1 PHE 89 -7.324 6.129 -5.589 668 HZ PHE 89 HZ PHE 89 -6.326 4.226 -4.434 669 H GLU 90 HN GLU 90 -9.570 10.532 -2.553 670 HA GLU 90 HA GLU 90 -7.267 10.603 -4.197 671 HB2 GLU 90 HB2 GLU 90 -9.540 12.528 -3.761 672 HB3 GLU 90 HB1 GLU 90 -8.215 12.901 -4.854 673 HG2 GLU 90 HG2 GLU 90 -10.048 10.522 -5.067 674 HG3 GLU 90 HG1 GLU 90 -10.143 11.991 -6.037 675 H ARG 91 HN ARG 91 -8.220 12.324 -1.305 676 HA ARG 91 HA ARG 91 -6.118 14.236 -1.354 677 HB2 ARG 91 HB2 ARG 91 -8.296 14.341 -0.030 678 HB3 ARG 91 HB1 ARG 91 -7.555 13.222 1.101 679 HG2 ARG 91 HG2 ARG 91 -7.354 15.465 1.936 680 HG3 ARG 91 HG1 ARG 91 -5.754 14.864 1.493 681 HD2 ARG 91 HD2 ARG 91 -6.109 17.185 0.760 682 HD3 ARG 91 HD1 ARG 91 -5.838 16.094 -0.598 683 HE ARG 91 HE ARG 91 -8.614 16.390 -0.066 684 HH11 ARG 91 HH11 ARG 91 -5.882 18.030 -1.511 685 HH12 ARG 91 HH12 ARG 91 -6.857 18.967 -2.594 686 HH21 ARG 91 HH21 ARG 91 -9.900 17.614 -1.496 687 HH22 ARG 91 HH22 ARG 91 -9.149 18.741 -2.579 688 H TYR 92 HN TYR 92 -6.397 10.942 -0.330 689 HA TYR 92 HA TYR 92 -4.038 10.903 1.302 690 HB2 TYR 92 HB2 TYR 92 -5.827 9.301 1.716 691 HB3 TYR 92 HB1 TYR 92 -5.677 8.670 0.081 692 HD1 TYR 92 HD1 TYR 92 -3.806 9.028 3.281 693 HD2 TYR 92 HD2 TYR 92 -4.243 6.878 -0.368 694 HE1 TYR 92 HE1 TYR 92 -2.198 7.347 4.083 695 HE2 TYR 92 HE2 TYR 92 -2.637 5.194 0.426 696 HH TYR 92 HH TYR 92 -0.780 5.045 2.068 697 H LEU 93 HN LEU 93 -4.856 10.156 -2.037 698 HA LEU 93 HA LEU 93 -2.439 8.972 -2.822 699 HB2 LEU 93 HB2 LEU 93 -4.316 10.700 -4.442 700 HB3 LEU 93 HB1 LEU 93 -3.032 9.715 -5.118 701 HG LEU 93 HG LEU 93 -5.468 8.686 -3.655 702 HD11 LEU 93 HD11 LEU 93 -6.097 7.802 -5.851 703 HD12 LEU 93 HD12 LEU 93 -4.700 8.604 -6.568 704 HD13 LEU 93 HD13 LEU 93 -5.997 9.562 -5.854 705 HD21 LEU 93 HD21 LEU 93 -3.167 7.227 -4.952 706 HD22 LEU 93 HD22 LEU 93 -4.673 6.468 -4.443 707 HD23 LEU 93 HD23 LEU 93 -3.612 7.207 -3.246 708 H ALA 94 HN ALA 94 -3.466 12.332 -2.702 709 HA ALA 94 HA ALA 94 -1.109 13.461 -3.757 710 HB1 ALA 94 HB1 ALA 94 -3.216 14.668 -3.658 711 HB2 ALA 94 HB2 ALA 94 -1.951 15.557 -2.810 712 HB3 ALA 94 HB3 ALA 94 -3.158 14.653 -1.897 713 H ALA 95 HN ALA 95 -1.790 12.075 -0.702 714 HA ALA 95 HA ALA 95 0.407 13.532 0.576 715 HB1 ALA 95 HB1 ALA 95 -1.675 11.751 1.826 716 HB2 ALA 95 HB2 ALA 95 -1.742 13.511 1.754 717 HB3 ALA 95 HB3 ALA 95 -0.471 12.713 2.683 718 H LEU 96 HN LEU 96 0.086 10.825 -1.199 719 HA LEU 96 HA LEU 96 1.166 8.732 0.216 720 HB2 LEU 96 HB2 LEU 96 1.528 9.477 -2.671 721 HB3 LEU 96 HB1 LEU 96 2.188 8.005 -1.997 722 HG LEU 96 HG LEU 96 -0.739 8.708 -1.976 723 HD11 LEU 96 HD11 LEU 96 -0.964 7.068 -3.773 724 HD12 LEU 96 HD12 LEU 96 0.787 6.862 -3.807 725 HD13 LEU 96 HD13 LEU 96 0.072 8.410 -4.258 726 HD21 LEU 96 HD21 LEU 96 0.747 6.172 -1.310 727 HD22 LEU 96 HD22 LEU 96 -1.004 6.297 -1.467 728 HD23 LEU 96 HD23 LEU 96 -0.170 7.188 -0.196 729 HA PRO 97 HA PRO 97 5.707 10.210 -0.837 730 HB2 PRO 97 HB2 PRO 97 5.956 12.942 -1.042 731 HB3 PRO 97 HB1 PRO 97 5.860 11.843 -2.423 732 HG2 PRO 97 HG2 PRO 97 3.690 13.471 -1.148 733 HG3 PRO 97 HG1 PRO 97 4.039 13.225 -2.871 734 HD2 PRO 97 HD2 PRO 97 2.074 11.883 -1.664 735 HD3 PRO 97 HD1 PRO 97 3.101 11.096 -2.881 736 H ARG 98 HN ARG 98 3.408 12.138 0.995 737 HA ARG 98 HA ARG 98 5.342 12.984 2.956 738 HB2 ARG 98 HB2 ARG 98 3.421 14.394 2.355 739 HB3 ARG 98 HB1 ARG 98 2.321 13.150 2.926 740 HG2 ARG 98 HG2 ARG 98 3.160 13.439 5.195 741 HG3 ARG 98 HG1 ARG 98 4.279 14.681 4.624 742 HD2 ARG 98 HD2 ARG 98 2.439 16.072 3.922 743 HD3 ARG 98 HD1 ARG 98 1.284 14.811 4.342 744 HE ARG 98 HE ARG 98 2.955 15.769 6.510 745 HH11 ARG 98 HH11 ARG 98 -0.065 16.069 4.780 746 HH12 ARG 98 HH12 ARG 98 -0.923 16.762 6.123 747 HH21 ARG 98 HH21 ARG 98 1.846 16.700 8.289 748 HH22 ARG 98 HH22 ARG 98 0.169 17.114 8.123 749 H LYS 99 HN LYS 99 2.838 10.543 2.650 750 HA LYS 99 HA LYS 99 3.006 9.523 5.298 751 HB2 LYS 99 HB2 LYS 99 2.145 8.199 2.718 752 HB3 LYS 99 HB1 LYS 99 1.911 7.510 4.310 753 HG2 LYS 99 HG2 LYS 99 0.730 10.120 3.400 754 HG3 LYS 99 HG1 LYS 99 -0.110 8.570 3.351 755 HD2 LYS 99 HD2 LYS 99 0.208 8.380 5.805 756 HD3 LYS 99 HD1 LYS 99 0.917 9.996 5.803 757 HE2 LYS 99 HE2 LYS 99 -1.159 10.918 4.927 758 HE3 LYS 99 HE1 LYS 99 -1.867 9.308 4.869 759 HZ1 LYS 99 HZ1 LYS 99 -2.592 10.511 6.822 760 HZ2 LYS 99 HZ2 LYS 99 -0.990 10.724 7.325 761 HZ3 LYS 99 HZ3 LYS 99 -1.659 9.171 7.273 762 H LEU 100 HN LEU 100 4.526 8.766 2.238 763 HA LEU 100 HA LEU 100 5.961 6.495 2.898 764 HB2 LEU 100 HB2 LEU 100 5.671 7.614 0.630 765 HB3 LEU 100 HB1 LEU 100 6.958 8.704 1.107 766 HG LEU 100 HG LEU 100 8.385 6.603 1.438 767 HD11 LEU 100 HD11 LEU 100 7.710 4.680 0.071 768 HD12 LEU 100 HD12 LEU 100 6.144 5.442 -0.205 769 HD13 LEU 100 HD13 LEU 100 6.616 4.960 1.424 770 HD21 LEU 100 HD21 LEU 100 8.713 8.178 -0.391 771 HD22 LEU 100 HD22 LEU 100 7.458 7.367 -1.328 772 HD23 LEU 100 HD23 LEU 100 8.955 6.519 -0.939 773 H ALA 101 HN ALA 101 6.953 9.896 3.077 774 HA ALA 101 HA ALA 101 9.517 9.485 4.119 775 HB1 ALA 101 HB1 ALA 101 8.778 11.608 3.159 776 HB2 ALA 101 HB2 ALA 101 9.437 11.829 4.780 777 HB3 ALA 101 HB3 ALA 101 7.693 11.848 4.528 778 H ALA 102 HN ALA 102 6.388 9.854 5.724 779 HA ALA 102 HA ALA 102 7.335 10.039 8.357 780 HB1 ALA 102 HB1 ALA 102 5.069 9.418 9.022 781 HB2 ALA 102 HB2 ALA 102 4.717 8.911 7.369 782 HB3 ALA 102 HB3 ALA 102 5.046 10.607 7.721 783 H TRP 103 HN TRP 103 6.394 7.235 6.398 784 HA TRP 103 HA TRP 103 6.743 5.328 8.462 785 HB2 TRP 103 HB2 TRP 103 6.799 4.987 5.452 786 HB3 TRP 103 HB1 TRP 103 6.793 3.651 6.602 787 HD1 TRP 103 HD1 TRP 103 4.537 4.863 8.581 788 HE1 TRP 103 HE1 TRP 103 2.087 4.876 7.792 789 HE3 TRP 103 HE3 TRP 103 5.313 4.475 3.549 790 HZ2 TRP 103 HZ2 TRP 103 0.678 4.737 5.353 791 HZ3 TRP 103 HZ3 TRP 103 3.362 4.418 2.057 792 HH2 TRP 103 HH2 TRP 103 1.090 4.547 2.940 793 H GLU 104 HN GLU 104 8.925 6.730 6.092 794 HA GLU 104 HA GLU 104 11.049 4.924 6.409 795 HB2 GLU 104 HB2 GLU 104 11.160 7.872 5.751 796 HB3 GLU 104 HB1 GLU 104 12.497 6.749 5.572 797 HG2 GLU 104 HG2 GLU 104 11.022 5.436 4.000 798 HG3 GLU 104 HG1 GLU 104 9.920 6.814 4.032 799 H ASN 105 HN ASN 105 10.406 8.006 8.025 800 HA ASN 105 HA ASN 105 12.678 7.883 9.718 801 HB2 ASN 105 HB2 ASN 105 11.563 9.998 9.159 802 HB3 ASN 105 HB1 ASN 105 10.119 9.472 10.017 803 HD21 ASN 105 HD21 ASN 105 13.421 8.943 11.123 804 HD22 ASN 105 HD22 ASN 105 13.304 9.967 12.511 805 H ALA 106 HN ALA 106 9.308 6.898 10.148 806 HA ALA 106 HA ALA 106 9.701 6.484 12.985 807 HB1 ALA 106 HB1 ALA 106 7.284 5.926 11.278 808 HB2 ALA 106 HB2 ALA 106 7.605 7.427 12.147 809 HB3 ALA 106 HB3 ALA 106 7.339 5.929 13.039 810 H ARG 107 HN ARG 107 9.492 4.479 10.099 811 HA ARG 107 HA ARG 107 9.383 2.104 11.828 812 HB2 ARG 107 HB2 ARG 107 8.738 2.370 8.893 813 HB3 ARG 107 HB1 ARG 107 8.665 0.869 9.802 814 HG2 ARG 107 HG2 ARG 107 6.977 3.326 10.261 815 HG3 ARG 107 HG1 ARG 107 6.451 1.805 9.540 816 HD2 ARG 107 HD2 ARG 107 7.361 2.244 12.388 817 HD3 ARG 107 HD1 ARG 107 5.725 1.888 11.845 818 HE ARG 107 HE ARG 107 7.500 -0.158 11.013 819 HH11 ARG 107 HH11 ARG 107 5.886 1.081 13.856 820 HH12 ARG 107 HH12 ARG 107 5.891 -0.443 14.683 821 HH21 ARG 107 HH21 ARG 107 7.502 -2.176 12.092 822 HH22 ARG 107 HH22 ARG 107 6.816 -2.292 13.679 823 H GLY 108 HN GLY 108 11.684 3.871 10.328 824 HA2 GLY 108 HA2 GLY 108 13.932 3.419 10.066 825 HA3 GLY 108 HA1 GLY 108 13.621 1.810 10.702 826 H VAL 109 HN VAL 109 12.583 3.565 7.799 827 HA VAL 109 HA VAL 109 13.562 1.294 6.198 828 HB VAL 109 HB VAL 109 10.991 2.799 5.654 829 HG11 VAL 109 HG11 VAL 109 12.196 0.397 4.295 830 HG12 VAL 109 HG12 VAL 109 12.068 2.022 3.625 831 HG13 VAL 109 HG13 VAL 109 10.611 1.082 3.947 832 HG21 VAL 109 HG21 VAL 109 10.742 1.358 7.610 833 HG22 VAL 109 HG22 VAL 109 11.360 -0.010 6.685 834 HG23 VAL 109 HG23 VAL 109 9.827 0.734 6.237 835 H ASP 110 HN ASP 110 14.519 1.833 4.240 836 HA ASP 110 HA ASP 110 14.748 4.723 3.673 837 HB2 ASP 110 HB2 ASP 110 16.834 3.646 4.683 838 HB3 ASP 110 HB1 ASP 110 16.956 2.701 3.199 839 H PHE 111 HN PHE 111 13.372 4.878 1.970 840 HA PHE 111 HA PHE 111 13.110 2.800 0.022 841 HB2 PHE 111 HB2 PHE 111 11.939 5.536 0.329 842 HB3 PHE 111 HB1 PHE 111 11.759 4.671 -1.193 843 HD1 PHE 111 HD2 PHE 111 11.125 4.421 2.447 844 HD2 PHE 111 HD1 PHE 111 10.131 3.012 -1.438 845 HE1 PHE 111 HE2 PHE 111 9.216 3.193 3.386 846 HE2 PHE 111 HE1 PHE 111 8.221 1.776 -0.510 847 HZ PHE 111 HZ PHE 111 7.780 1.827 1.902 848 H GLY 112 HN GLY 112 15.345 5.316 0.369 849 HA2 GLY 112 HA2 GLY 112 15.904 5.739 -2.407 850 HA3 GLY 112 HA1 GLY 112 16.964 6.144 -1.060 851 H SER 113 HN SER 113 17.385 3.769 0.129 852 HA SER 113 HA SER 113 19.051 2.380 -1.794 853 HB2 SER 113 HB2 SER 113 20.018 2.890 0.370 854 HB3 SER 113 HB1 SER 113 18.692 2.078 1.202 855 HG SER 113 HG SER 113 19.527 0.174 0.734 856 H ARG 114 HN ARG 114 15.909 2.153 -0.733 857 HA ARG 114 HA ARG 114 14.254 0.617 -0.837 858 HB2 ARG 114 HB2 ARG 114 16.168 -0.413 -2.897 859 HB3 ARG 114 HB1 ARG 114 14.725 -1.343 -2.491 860 HG2 ARG 114 HG2 ARG 114 13.288 0.346 -3.242 861 HG3 ARG 114 HG1 ARG 114 14.571 1.556 -3.245 862 HD2 ARG 114 HD2 ARG 114 14.498 -0.852 -5.054 863 HD3 ARG 114 HD1 ARG 114 13.922 0.751 -5.510 864 HE ARG 114 HE ARG 114 16.706 -0.039 -5.037 865 HH11 ARG 114 HH11 ARG 114 14.380 2.392 -6.006 866 HH12 ARG 114 HH12 ARG 114 15.579 3.462 -6.659 867 HH21 ARG 114 HH21 ARG 114 18.285 1.374 -5.901 868 HH22 ARG 114 HH22 ARG 114 17.792 2.876 -6.618 869 H THR 115 HN THR 115 15.929 0.450 1.295 870 HA THR 115 HA THR 115 15.883 -2.422 1.888 871 HB THR 115 HB THR 115 17.927 -1.957 3.359 872 HG1 THR 115 HG1 THR 115 17.618 0.443 2.845 873 HG21 THR 115 HG21 THR 115 19.497 -2.282 1.494 874 HG22 THR 115 HG22 THR 115 18.223 -1.837 0.357 875 HG23 THR 115 HG23 THR 115 18.067 -3.300 1.329 876 H GLN 116 HN GLN 116 15.955 -2.816 4.285 877 HA GLN 116 HA GLN 116 14.681 -0.659 5.807 878 HB2 GLN 116 HB2 GLN 116 13.066 -2.335 6.738 879 HB3 GLN 116 HB1 GLN 116 12.831 -1.998 5.032 880 HG2 GLN 116 HG2 GLN 116 13.904 -4.062 4.422 881 HG3 GLN 116 HG1 GLN 116 14.312 -4.389 6.105 882 HE21 GLN 116 HE21 GLN 116 12.715 -5.941 4.173 883 HE22 GLN 116 HE22 GLN 116 11.179 -6.176 4.934 884 H ALA 117 HN ALA 117 14.973 -0.803 8.079 885 HA ALA 117 HA ALA 117 17.336 -2.308 8.857 886 HB1 ALA 117 HB1 ALA 117 15.657 -0.369 10.449 887 HB2 ALA 117 HB2 ALA 117 17.105 0.041 9.531 888 HB3 ALA 117 HB3 ALA 117 17.220 -1.027 10.928 889 H ASP 118 HN ASP 118 14.265 -3.113 8.537 890 HA ASP 118 HA ASP 118 14.140 -4.727 10.989 891 HB2 ASP 118 HB2 ASP 118 12.261 -3.015 10.337 892 HB3 ASP 118 HB1 ASP 118 11.782 -4.260 9.184 893 H ALA 119 HN ALA 119 12.944 -6.851 10.605 894 HA ALA 119 HA ALA 119 14.203 -8.173 8.339 895 HB1 ALA 119 HB1 ALA 119 13.527 -10.250 9.442 896 HB2 ALA 119 HB2 ALA 119 12.645 -9.321 10.654 897 HB3 ALA 119 HB3 ALA 119 14.400 -9.194 10.552 898 H LEU 120 HN LEU 120 11.177 -6.884 9.229 899 HA LEU 120 HA LEU 120 9.937 -7.541 6.789 900 HB2 LEU 120 HB2 LEU 120 9.732 -9.754 7.895 901 HB3 LEU 120 HB1 LEU 120 8.885 -8.996 9.224 902 HG LEU 120 HG LEU 120 7.079 -8.342 7.641 903 HD11 LEU 120 HD11 LEU 120 6.997 -9.493 5.464 904 HD12 LEU 120 HD12 LEU 120 8.656 -10.036 5.721 905 HD13 LEU 120 HD13 LEU 120 8.303 -8.315 5.575 906 HD21 LEU 120 HD21 LEU 120 6.883 -10.334 9.024 907 HD22 LEU 120 HD22 LEU 120 7.698 -11.284 7.781 908 HD23 LEU 120 HD23 LEU 120 6.118 -10.573 7.455 909 H VAL 121 HN VAL 121 8.559 -5.852 6.431 910 HA VAL 121 HA VAL 121 7.485 -4.549 8.835 911 HB VAL 121 HB VAL 121 9.110 -3.082 7.868 912 HG11 VAL 121 HG11 VAL 121 9.014 -2.241 5.604 913 HG12 VAL 121 HG12 VAL 121 7.591 -3.226 5.276 914 HG13 VAL 121 HG13 VAL 121 9.142 -4.001 5.597 915 HG21 VAL 121 HG21 VAL 121 6.324 -2.133 7.230 916 HG22 VAL 121 HG22 VAL 121 7.741 -1.098 7.388 917 HG23 VAL 121 HG23 VAL 121 7.150 -2.002 8.782 918 H LEU 122 HN LEU 122 5.530 -5.385 8.996 919 HA LEU 122 HA LEU 122 3.687 -5.133 6.714 920 HB2 LEU 122 HB2 LEU 122 3.211 -6.647 9.282 921 HB3 LEU 122 HB1 LEU 122 2.293 -6.759 7.797 922 HG LEU 122 HG LEU 122 5.116 -7.757 8.212 923 HD11 LEU 122 HD11 LEU 122 3.469 -9.124 9.357 924 HD12 LEU 122 HD12 LEU 122 4.106 -9.974 7.950 925 HD13 LEU 122 HD13 LEU 122 2.508 -9.232 7.882 926 HD21 LEU 122 HD21 LEU 122 4.776 -6.989 5.921 927 HD22 LEU 122 HD22 LEU 122 3.326 -7.985 5.798 928 HD23 LEU 122 HD23 LEU 122 4.904 -8.746 5.996 929 H LEU 123 HN LEU 123 2.713 -3.174 6.807 930 HA LEU 123 HA LEU 123 2.192 -2.002 9.436 931 HB2 LEU 123 HB2 LEU 123 1.981 -0.742 6.703 932 HB3 LEU 123 HB1 LEU 123 1.788 0.091 8.233 933 HG LEU 123 HG LEU 123 4.323 -1.154 7.179 934 HD11 LEU 123 HD11 LEU 123 3.564 1.724 7.652 935 HD12 LEU 123 HD12 LEU 123 3.706 0.938 6.081 936 HD13 LEU 123 HD13 LEU 123 5.133 1.141 7.097 937 HD21 LEU 123 HD21 LEU 123 5.395 -0.153 9.152 938 HD22 LEU 123 HD22 LEU 123 4.237 -1.406 9.587 939 HD23 LEU 123 HD23 LEU 123 3.806 0.294 9.772 940 H GLY 124 HN GLY 124 0.319 -2.289 10.322 941 HA2 GLY 124 HA2 GLY 124 -2.078 -2.465 8.615 942 HA3 GLY 124 HA1 GLY 124 -1.937 -3.182 10.212 943 H GLY 125 HN GLY 125 -4.093 -1.615 9.611 944 HA2 GLY 125 HA2 GLY 125 -5.328 -0.049 10.768 945 HA3 GLY 125 HA1 GLY 125 -3.912 0.267 11.761 946 H LEU 126 HN LEU 126 -3.677 0.527 8.310 947 HA LEU 126 HA LEU 126 -3.054 3.313 8.514 948 HB2 LEU 126 HB2 LEU 126 -3.142 1.339 6.280 949 HB3 LEU 126 HB1 LEU 126 -3.136 3.051 5.897 950 HG LEU 126 HG LEU 126 -1.014 3.285 7.180 951 HD11 LEU 126 HD11 LEU 126 0.250 1.313 7.778 952 HD12 LEU 126 HD12 LEU 126 -1.067 0.272 7.241 953 HD13 LEU 126 HD13 LEU 126 -1.288 1.326 8.639 954 HD21 LEU 126 HD21 LEU 126 -1.016 3.039 4.758 955 HD22 LEU 126 HD22 LEU 126 -0.988 1.284 4.923 956 HD23 LEU 126 HD23 LEU 126 0.388 2.245 5.471 957 H ASP 127 HN ASP 127 -4.121 5.049 7.705 958 HA ASP 127 HA ASP 127 -6.996 4.685 7.132 959 HB2 ASP 127 HB2 ASP 127 -5.647 7.104 8.382 960 HB3 ASP 127 HB1 ASP 127 -7.380 6.881 8.145 961 H PHE 128 HN PHE 128 -7.833 6.764 5.935 962 HA PHE 128 HA PHE 128 -5.893 7.424 3.823 963 HB2 PHE 128 HB2 PHE 128 -8.915 7.359 3.745 964 HB3 PHE 128 HB1 PHE 128 -7.919 8.002 2.443 965 HD1 PHE 128 HD1 PHE 128 -6.220 6.424 1.368 966 HD2 PHE 128 HD2 PHE 128 -9.413 5.089 3.848 967 HE1 PHE 128 HE1 PHE 128 -6.025 4.172 0.403 968 HE2 PHE 128 HE2 PHE 128 -9.218 2.833 2.890 969 HZ PHE 128 HZ PHE 128 -7.496 2.363 1.182 970 H GLU 129 HN GLU 129 -6.279 8.692 6.472 971 HA GLU 129 HA GLU 129 -7.374 11.304 5.841 972 HB2 GLU 129 HB2 GLU 129 -6.122 10.261 8.388 973 HB3 GLU 129 HB1 GLU 129 -6.908 11.820 8.203 974 HG2 GLU 129 HG2 GLU 129 -9.023 10.688 7.705 975 HG3 GLU 129 HG1 GLU 129 -8.229 9.130 7.934 976 H ALA 130 HN ALA 130 -6.184 12.941 5.149 977 HA ALA 130 HA ALA 130 -3.261 12.728 5.344 978 HB1 ALA 130 HB1 ALA 130 -3.171 14.277 3.461 979 HB2 ALA 130 HB2 ALA 130 -4.931 14.389 3.455 980 HB3 ALA 130 HB3 ALA 130 -4.143 12.860 3.063 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -17.107 -20.195 4.973 2 H2 GLY 1 HT2 GLY 1 -16.219 -21.603 5.265 3 H3 GLY 1 HT3 GLY 1 -17.820 -21.490 5.792 4 HA2 GLY 1 HA1 GLY 1 -17.661 -22.867 3.810 5 HA3 GLY 1 HA2 GLY 1 -18.617 -21.418 3.528 6 H ALA 2 HN ALA 2 -16.913 -23.207 1.756 7 HA ALA 2 HA ALA 2 -14.596 -21.808 0.981 8 HB1 ALA 2 HB1 ALA 2 -14.983 -24.158 0.410 9 HB2 ALA 2 HB2 ALA 2 -14.648 -23.195 -1.029 10 HB3 ALA 2 HB3 ALA 2 -16.302 -23.681 -0.658 11 H MET 3 HN MET 3 -17.682 -22.066 -0.770 12 HA MET 3 HA MET 3 -17.097 -19.495 -2.053 13 HB2 MET 3 HB2 MET 3 -18.977 -20.112 -3.591 14 HB3 MET 3 HB1 MET 3 -17.628 -21.238 -3.630 15 HG2 MET 3 HG2 MET 3 -18.846 -22.807 -2.258 16 HG3 MET 3 HG1 MET 3 -20.169 -21.660 -2.072 17 HE1 MET 3 HE1 MET 3 -21.820 -20.972 -3.947 18 HE2 MET 3 HE2 MET 3 -21.723 -21.520 -5.620 19 HE3 MET 3 HE3 MET 3 -20.493 -20.432 -4.977 20 H GLY 4 HN GLY 4 -17.759 -19.286 0.596 21 HA2 GLY 4 HA2 GLY 4 -20.555 -18.335 0.521 22 HA3 GLY 4 HA1 GLY 4 -19.781 -18.969 1.966 23 H MET 5 HN MET 5 -17.869 -16.977 -0.078 24 HA MET 5 HA MET 5 -18.310 -14.691 1.725 25 HB2 MET 5 HB2 MET 5 -15.645 -15.685 0.692 26 HB3 MET 5 HB1 MET 5 -15.885 -14.210 1.617 27 HG2 MET 5 HG2 MET 5 -16.658 -15.517 3.523 28 HG3 MET 5 HG1 MET 5 -16.450 -17.003 2.596 29 HE1 MET 5 HE1 MET 5 -15.169 -16.554 5.471 30 HE2 MET 5 HE2 MET 5 -13.555 -17.218 5.213 31 HE3 MET 5 HE3 MET 5 -14.962 -18.026 4.523 32 H SER 6 HN SER 6 -19.353 -13.302 0.435 33 HA SER 6 HA SER 6 -18.030 -12.562 -2.081 34 HB2 SER 6 HB2 SER 6 -20.127 -13.830 -2.522 35 HB3 SER 6 HB1 SER 6 -21.024 -12.625 -1.600 36 HG SER 6 HG SER 6 -20.969 -11.324 -3.246 37 HA PRO 7 HA PRO 7 -18.528 -8.809 0.528 38 HB2 PRO 7 HB2 PRO 7 -15.960 -8.094 0.712 39 HB3 PRO 7 HB1 PRO 7 -16.639 -9.354 1.745 40 HG2 PRO 7 HG2 PRO 7 -14.911 -9.611 -0.667 41 HG3 PRO 7 HG1 PRO 7 -14.929 -10.584 0.813 42 HD2 PRO 7 HD2 PRO 7 -16.134 -11.264 -1.620 43 HD3 PRO 7 HD1 PRO 7 -16.473 -12.015 -0.049 44 H ASP 8 HN ASP 8 -19.300 -7.198 -0.695 45 HA ASP 8 HA ASP 8 -18.345 -6.692 -3.355 46 HB2 ASP 8 HB2 ASP 8 -20.704 -6.336 -2.793 47 HB3 ASP 8 HB1 ASP 8 -20.256 -5.107 -1.615 48 H THR 9 HN THR 9 -17.923 -5.255 -0.197 49 HA THR 9 HA THR 9 -16.616 -2.894 -0.981 50 HB THR 9 HB THR 9 -16.349 -4.470 1.587 51 HG1 THR 9 HG1 THR 9 -18.214 -2.601 0.613 52 HG21 THR 9 HG21 THR 9 -14.529 -2.874 1.342 53 HG22 THR 9 HG22 THR 9 -15.661 -2.325 2.580 54 HG23 THR 9 HG23 THR 9 -15.679 -1.591 0.976 55 H ALA 10 HN ALA 10 -15.310 -6.036 0.088 56 HA ALA 10 HA ALA 10 -12.601 -5.282 -0.194 57 HB1 ALA 10 HB1 ALA 10 -13.819 -8.035 -0.146 58 HB2 ALA 10 HB2 ALA 10 -13.272 -7.114 1.254 59 HB3 ALA 10 HB3 ALA 10 -12.107 -7.664 0.050 60 H ARG 11 HN ARG 11 -14.909 -6.846 -2.345 61 HA ARG 11 HA ARG 11 -13.032 -7.634 -4.309 62 HB2 ARG 11 HB2 ARG 11 -15.302 -8.587 -4.117 63 HB3 ARG 11 HB1 ARG 11 -15.975 -7.052 -4.647 64 HG2 ARG 11 HG2 ARG 11 -14.873 -7.288 -6.798 65 HG3 ARG 11 HG1 ARG 11 -14.137 -8.802 -6.267 66 HD2 ARG 11 HD2 ARG 11 -17.083 -8.253 -6.566 67 HD3 ARG 11 HD1 ARG 11 -16.093 -9.238 -7.638 68 HE ARG 11 HE ARG 11 -15.707 -10.626 -5.518 69 HH11 ARG 11 HH11 ARG 11 -18.663 -8.895 -6.218 70 HH12 ARG 11 HH12 ARG 11 -19.672 -10.010 -5.358 71 HH21 ARG 11 HH21 ARG 11 -17.023 -12.096 -4.378 72 HH22 ARG 11 HH22 ARG 11 -18.742 -11.839 -4.309 73 H ARG 12 HN ARG 12 -15.050 -4.748 -3.930 74 HA ARG 12 HA ARG 12 -14.350 -3.568 -6.402 75 HB2 ARG 12 HB2 ARG 12 -16.289 -2.950 -4.843 76 HB3 ARG 12 HB1 ARG 12 -15.104 -2.031 -3.925 77 HG2 ARG 12 HG2 ARG 12 -14.575 -0.748 -5.981 78 HG3 ARG 12 HG1 ARG 12 -15.886 -1.600 -6.799 79 HD2 ARG 12 HD2 ARG 12 -16.102 0.244 -4.427 80 HD3 ARG 12 HD1 ARG 12 -16.701 0.528 -6.059 81 HE ARG 12 HE ARG 12 -17.826 -1.822 -4.895 82 HH11 ARG 12 HH11 ARG 12 -18.086 1.664 -5.035 83 HH12 ARG 12 HH12 ARG 12 -19.746 1.688 -4.522 84 HH21 ARG 12 HH21 ARG 12 -20.001 -1.799 -4.194 85 HH22 ARG 12 HH22 ARG 12 -20.834 -0.276 -4.055 86 H PHE 13 HN PHE 13 -12.954 -3.431 -3.173 87 HA PHE 13 HA PHE 13 -11.100 -1.363 -3.707 88 HB2 PHE 13 HB2 PHE 13 -11.746 -2.183 -1.411 89 HB3 PHE 13 HB1 PHE 13 -10.778 -3.618 -1.711 90 HD1 PHE 13 HD1 PHE 13 -10.659 0.016 -1.182 91 HD2 PHE 13 HD2 PHE 13 -8.399 -3.565 -1.572 92 HE1 PHE 13 HE1 PHE 13 -8.667 1.191 -0.348 93 HE2 PHE 13 HE2 PHE 13 -6.402 -2.401 -0.736 94 HZ PHE 13 HZ PHE 13 -6.532 -0.011 -0.138 95 H ASP 14 HN ASP 14 -10.893 -4.881 -3.876 96 HA ASP 14 HA ASP 14 -8.205 -5.131 -4.580 97 HB2 ASP 14 HB2 ASP 14 -9.298 -7.098 -3.920 98 HB3 ASP 14 HB1 ASP 14 -10.634 -6.839 -5.034 99 H THR 15 HN THR 15 -11.021 -4.465 -6.582 100 HA THR 15 HA THR 15 -9.471 -4.913 -8.992 101 HB THR 15 HB THR 15 -11.740 -4.346 -10.085 102 HG1 THR 15 HG1 THR 15 -12.676 -5.023 -7.478 103 HG21 THR 15 HG21 THR 15 -10.768 -6.596 -9.950 104 HG22 THR 15 HG22 THR 15 -12.518 -6.632 -9.738 105 HG23 THR 15 HG23 THR 15 -11.456 -6.791 -8.339 106 H GLU 16 HN GLU 16 -11.121 -2.201 -7.372 107 HA GLU 16 HA GLU 16 -10.336 -0.476 -9.606 108 HB2 GLU 16 HB2 GLU 16 -12.674 -0.382 -8.881 109 HB3 GLU 16 HB1 GLU 16 -12.160 0.092 -7.268 110 HG2 GLU 16 HG2 GLU 16 -12.940 2.003 -8.567 111 HG3 GLU 16 HG1 GLU 16 -11.237 2.155 -8.136 112 H PHE 17 HN PHE 17 -9.907 -0.727 -6.092 113 HA PHE 17 HA PHE 17 -8.524 1.824 -6.051 114 HB2 PHE 17 HB2 PHE 17 -9.259 -0.088 -3.832 115 HB3 PHE 17 HB1 PHE 17 -8.402 1.425 -3.578 116 HD1 PHE 17 HD2 PHE 17 -11.565 0.093 -5.060 117 HD2 PHE 17 HD1 PHE 17 -9.600 3.351 -3.143 118 HE1 PHE 17 HE2 PHE 17 -13.710 1.276 -4.879 119 HE2 PHE 17 HE1 PHE 17 -11.747 4.538 -2.962 120 HZ PHE 17 HZ PHE 17 -13.803 3.501 -3.830 121 H ALA 18 HN ALA 18 -7.747 -1.537 -5.144 122 HA ALA 18 HA ALA 18 -5.171 -1.032 -4.234 123 HB1 ALA 18 HB1 ALA 18 -6.116 -3.598 -5.484 124 HB2 ALA 18 HB2 ALA 18 -6.432 -3.109 -3.822 125 HB3 ALA 18 HB3 ALA 18 -4.776 -3.392 -4.358 126 HA PRO 19 HA PRO 19 -3.497 -2.051 -8.725 127 HB2 PRO 19 HB2 PRO 19 -5.807 -1.046 -10.308 128 HB3 PRO 19 HB1 PRO 19 -4.736 -2.421 -10.624 129 HG2 PRO 19 HG2 PRO 19 -7.211 -2.831 -9.782 130 HG3 PRO 19 HG1 PRO 19 -5.874 -3.808 -9.148 131 HD2 PRO 19 HD2 PRO 19 -7.275 -1.475 -7.886 132 HD3 PRO 19 HD1 PRO 19 -6.792 -3.021 -7.159 133 H ARG 20 HN ARG 20 -5.727 0.572 -8.014 134 HA ARG 20 HA ARG 20 -4.373 2.545 -9.565 135 HB2 ARG 20 HB2 ARG 20 -6.792 2.624 -8.724 136 HB3 ARG 20 HB1 ARG 20 -6.123 3.071 -7.162 137 HG2 ARG 20 HG2 ARG 20 -6.745 5.081 -8.202 138 HG3 ARG 20 HG1 ARG 20 -4.987 4.995 -8.338 139 HD2 ARG 20 HD2 ARG 20 -5.965 5.735 -10.437 140 HD3 ARG 20 HD1 ARG 20 -5.220 4.148 -10.630 141 HE ARG 20 HE ARG 20 -7.986 3.933 -9.998 142 HH11 ARG 20 HH11 ARG 20 -5.777 4.603 -12.627 143 HH12 ARG 20 HH12 ARG 20 -6.888 4.102 -13.859 144 HH21 ARG 20 HH21 ARG 20 -9.450 3.252 -11.605 145 HH22 ARG 20 HH22 ARG 20 -8.981 3.334 -13.277 146 H ILE 21 HN ILE 21 -4.337 1.530 -6.193 147 HA ILE 21 HA ILE 21 -2.505 3.466 -5.245 148 HB ILE 21 HB ILE 21 -2.990 0.678 -4.173 149 HG12 ILE 21 HG12 ILE 21 -4.259 3.289 -3.317 150 HG13 ILE 21 HG11 ILE 21 -5.051 2.095 -4.341 151 HG21 ILE 21 HG21 ILE 21 -2.122 1.531 -2.068 152 HG22 ILE 21 HG22 ILE 21 -1.865 3.116 -2.794 153 HG23 ILE 21 HG23 ILE 21 -0.924 1.730 -3.347 154 HD11 ILE 21 HD11 ILE 21 -4.186 1.734 -1.479 155 HD12 ILE 21 HD12 ILE 21 -4.853 0.457 -2.497 156 HD13 ILE 21 HD13 ILE 21 -5.836 1.860 -2.088 157 H ALA 22 HN ALA 22 -2.105 0.135 -6.384 158 HA ALA 22 HA ALA 22 0.631 -0.118 -5.872 159 HB1 ALA 22 HB1 ALA 22 0.575 -2.025 -7.356 160 HB2 ALA 22 HB2 ALA 22 -0.949 -1.475 -8.049 161 HB3 ALA 22 HB3 ALA 22 -0.886 -1.999 -6.367 162 H ARG 23 HN ARG 23 -1.066 0.995 -8.768 163 HA ARG 23 HA ARG 23 1.287 1.304 -10.330 164 HB2 ARG 23 HB2 ARG 23 -1.079 1.064 -11.205 165 HB3 ARG 23 HB1 ARG 23 -1.344 2.733 -10.724 166 HG2 ARG 23 HG2 ARG 23 0.463 3.438 -12.227 167 HG3 ARG 23 HG1 ARG 23 0.675 1.761 -12.733 168 HD2 ARG 23 HD2 ARG 23 -0.666 2.781 -14.389 169 HD3 ARG 23 HD1 ARG 23 -1.756 1.792 -13.418 170 HE ARG 23 HE ARG 23 -1.674 4.437 -12.413 171 HH11 ARG 23 HH11 ARG 23 -2.995 2.522 -15.034 172 HH12 ARG 23 HH12 ARG 23 -4.274 3.644 -15.377 173 HH21 ARG 23 HH21 ARG 23 -3.336 5.923 -12.873 174 HH22 ARG 23 HH22 ARG 23 -4.454 5.592 -14.161 175 H ALA 24 HN ALA 24 -0.536 3.400 -8.184 176 HA ALA 24 HA ALA 24 0.748 5.829 -8.865 177 HB1 ALA 24 HB1 ALA 24 -0.535 5.076 -6.242 178 HB2 ALA 24 HB2 ALA 24 -1.393 5.710 -7.645 179 HB3 ALA 24 HB3 ALA 24 -0.197 6.708 -6.817 180 H ILE 25 HN ILE 25 1.318 3.449 -6.311 181 HA ILE 25 HA ILE 25 3.541 4.687 -5.129 182 HB ILE 25 HB ILE 25 2.857 1.744 -5.286 183 HG12 ILE 25 HG12 ILE 25 2.349 3.797 -3.114 184 HG13 ILE 25 HG11 ILE 25 1.131 3.134 -4.199 185 HG21 ILE 25 HG21 ILE 25 4.809 3.187 -3.493 186 HG22 ILE 25 HG22 ILE 25 5.203 2.023 -4.758 187 HG23 ILE 25 HG23 ILE 25 4.323 1.501 -3.321 188 HD11 ILE 25 HD11 ILE 25 1.059 2.101 -1.991 189 HD12 ILE 25 HD12 ILE 25 2.724 1.555 -2.194 190 HD13 ILE 25 HD13 ILE 25 1.456 0.929 -3.247 191 H ALA 26 HN ALA 26 3.324 2.252 -7.702 192 HA ALA 26 HA ALA 26 6.062 1.862 -8.110 193 HB1 ALA 26 HB1 ALA 26 5.430 1.030 -10.332 194 HB2 ALA 26 HB2 ALA 26 3.813 1.701 -10.115 195 HB3 ALA 26 HB3 ALA 26 4.374 0.396 -9.070 196 H ASP 27 HN ASP 27 3.839 4.249 -9.391 197 HA ASP 27 HA ASP 27 5.643 5.462 -11.214 198 HB2 ASP 27 HB2 ASP 27 3.232 5.723 -11.454 199 HB3 ASP 27 HB1 ASP 27 3.133 6.510 -9.886 200 H LEU 28 HN LEU 28 4.751 6.088 -7.872 201 HA LEU 28 HA LEU 28 6.110 8.560 -7.627 202 HB2 LEU 28 HB2 LEU 28 4.279 7.862 -6.135 203 HB3 LEU 28 HB1 LEU 28 5.280 6.568 -5.511 204 HG LEU 28 HG LEU 28 6.848 8.272 -4.601 205 HD11 LEU 28 HD11 LEU 28 6.032 10.596 -4.420 206 HD12 LEU 28 HD12 LEU 28 4.717 10.193 -5.523 207 HD13 LEU 28 HD13 LEU 28 6.389 10.119 -6.078 208 HD21 LEU 28 HD21 LEU 28 3.980 8.504 -3.694 209 HD22 LEU 28 HD22 LEU 28 5.400 8.940 -2.745 210 HD23 LEU 28 HD23 LEU 28 5.125 7.258 -3.199 211 H LEU 29 HN LEU 29 6.999 5.215 -7.019 212 HA LEU 29 HA LEU 29 9.608 5.968 -5.999 213 HB2 LEU 29 HB2 LEU 29 8.481 3.238 -6.642 214 HB3 LEU 29 HB1 LEU 29 9.982 3.550 -5.790 215 HG LEU 29 HG LEU 29 7.211 4.223 -4.811 216 HD11 LEU 29 HD11 LEU 29 7.636 2.512 -3.127 217 HD12 LEU 29 HD12 LEU 29 9.198 2.164 -3.867 218 HD13 LEU 29 HD13 LEU 29 7.711 1.837 -4.755 219 HD21 LEU 29 HD21 LEU 29 8.723 5.890 -3.995 220 HD22 LEU 29 HD22 LEU 29 9.913 4.666 -3.556 221 HD23 LEU 29 HD23 LEU 29 8.387 4.764 -2.679 222 H ASN 30 HN ASN 30 8.442 6.132 -8.947 223 HA ASN 30 HA ASN 30 9.267 6.112 -11.057 224 HB2 ASN 30 HB2 ASN 30 11.905 6.244 -9.574 225 HB3 ASN 30 HB1 ASN 30 11.729 6.487 -11.306 226 HD21 ASN 30 HD21 ASN 30 11.259 7.859 -8.163 227 HD22 ASN 30 HD22 ASN 30 10.813 9.441 -8.696 228 H HIS 31 HN HIS 31 8.667 3.597 -9.913 229 HA HIS 31 HA HIS 31 8.829 1.378 -10.305 230 HB2 HIS 31 HB2 HIS 31 10.174 2.383 -12.809 231 HB3 HIS 31 HB1 HIS 31 9.782 0.689 -12.540 232 HD1 HIS 31 HD1 HIS 31 7.166 0.150 -12.266 233 HD2 HIS 31 HD2 HIS 31 8.118 3.912 -13.759 234 HE1 HIS 31 HE1 HIS 31 5.048 1.027 -13.297 235 HE2 HIS 31 HE2 HIS 31 5.684 3.243 -14.312 236 H ARG 32 HN ARG 32 11.096 2.730 -8.856 237 HA ARG 32 HA ARG 32 13.364 1.038 -9.361 238 HB2 ARG 32 HB2 ARG 32 12.627 2.884 -7.091 239 HB3 ARG 32 HB1 ARG 32 14.083 1.900 -7.057 240 HG2 ARG 32 HG2 ARG 32 13.486 3.825 -9.277 241 HG3 ARG 32 HG1 ARG 32 14.349 4.290 -7.811 242 HD2 ARG 32 HD2 ARG 32 15.996 2.487 -8.291 243 HD3 ARG 32 HD1 ARG 32 15.170 2.198 -9.822 244 HE ARG 32 HE ARG 32 15.700 4.661 -10.244 245 HH11 ARG 32 HH11 ARG 32 17.768 2.502 -8.412 246 HH12 ARG 32 HH12 ARG 32 19.211 3.400 -8.752 247 HH21 ARG 32 HH21 ARG 32 17.585 5.839 -10.682 248 HH22 ARG 32 HH22 ARG 32 19.108 5.300 -10.050 249 H ALA 33 HN ALA 33 10.431 0.807 -7.660 250 HA ALA 33 HA ALA 33 11.235 -1.806 -6.595 251 HB1 ALA 33 HB1 ALA 33 9.730 -1.449 -4.694 252 HB2 ALA 33 HB2 ALA 33 9.366 0.171 -5.286 253 HB3 ALA 33 HB3 ALA 33 10.997 -0.223 -4.745 254 H HIS 34 HN HIS 34 9.536 -3.375 -6.549 255 HA HIS 34 HA HIS 34 7.487 -2.852 -8.596 256 HB2 HIS 34 HB2 HIS 34 8.982 -4.629 -9.280 257 HB3 HIS 34 HB1 HIS 34 8.829 -5.427 -7.717 258 HD1 HIS 34 HD1 HIS 34 6.991 -4.893 -10.948 259 HD2 HIS 34 HD2 HIS 34 6.573 -7.026 -7.406 260 HE1 HIS 34 HE1 HIS 34 5.084 -6.481 -11.336 261 HE2 HIS 34 HE2 HIS 34 4.709 -7.595 -9.100 262 H THR 35 HN THR 35 5.383 -3.056 -8.080 263 HA THR 35 HA THR 35 4.788 -3.890 -5.322 264 HB THR 35 HB THR 35 2.712 -2.508 -5.575 265 HG1 THR 35 HG1 THR 35 3.169 -0.827 -7.387 266 HG21 THR 35 HG21 THR 35 4.751 -1.674 -4.448 267 HG22 THR 35 HG22 THR 35 3.831 -0.383 -5.224 268 HG23 THR 35 HG23 THR 35 5.299 -1.001 -5.983 269 H ASP 36 HN ASP 36 2.944 -5.182 -4.947 270 HA ASP 36 HA ASP 36 1.733 -6.403 -7.330 271 HB2 ASP 36 HB2 ASP 36 2.840 -7.881 -4.932 272 HB3 ASP 36 HB1 ASP 36 1.726 -8.611 -6.080 273 H VAL 37 HN VAL 37 -0.402 -6.567 -7.233 274 HA VAL 37 HA VAL 37 -1.761 -5.727 -4.816 275 HB VAL 37 HB VAL 37 -2.883 -6.527 -7.509 276 HG11 VAL 37 HG11 VAL 37 -4.511 -6.915 -5.748 277 HG12 VAL 37 HG12 VAL 37 -4.977 -5.510 -6.707 278 HG13 VAL 37 HG13 VAL 37 -4.245 -5.289 -5.119 279 HG21 VAL 37 HG21 VAL 37 -2.471 -3.808 -6.264 280 HG22 VAL 37 HG22 VAL 37 -3.285 -4.122 -7.797 281 HG23 VAL 37 HG23 VAL 37 -1.567 -4.482 -7.621 282 H VAL 38 HN VAL 38 -1.678 -7.270 -3.316 283 HA VAL 38 HA VAL 38 -2.114 -10.042 -3.826 284 HB VAL 38 HB VAL 38 -2.355 -8.532 -1.214 285 HG11 VAL 38 HG11 VAL 38 -1.914 -10.735 -0.196 286 HG12 VAL 38 HG12 VAL 38 -2.043 -11.468 -1.793 287 HG13 VAL 38 HG13 VAL 38 -3.441 -10.670 -1.074 288 HG21 VAL 38 HG21 VAL 38 -0.146 -8.239 -2.191 289 HG22 VAL 38 HG22 VAL 38 0.005 -9.983 -2.406 290 HG23 VAL 38 HG23 VAL 38 -0.064 -9.298 -0.784 291 H GLY 39 HN GLY 39 -3.995 -10.830 -4.470 292 HA2 GLY 39 HA2 GLY 39 -6.392 -9.274 -4.307 293 HA3 GLY 39 HA1 GLY 39 -6.228 -10.870 -5.021 294 H TYR 40 HN TYR 40 -8.477 -10.419 -3.719 295 HA TYR 40 HA TYR 40 -8.226 -11.170 -0.928 296 HB2 TYR 40 HB2 TYR 40 -9.909 -9.490 -1.592 297 HB3 TYR 40 HB1 TYR 40 -10.699 -10.692 -2.614 298 HD1 TYR 40 HD1 TYR 40 -9.776 -9.990 0.934 299 HD2 TYR 40 HD2 TYR 40 -12.366 -12.073 -1.730 300 HE1 TYR 40 HE1 TYR 40 -11.168 -10.688 2.837 301 HE2 TYR 40 HE2 TYR 40 -13.760 -12.771 0.168 302 HH TYR 40 HH TYR 40 -13.434 -11.423 3.295 303 H GLY 41 HN GLY 41 -7.931 -13.220 -0.429 304 HA2 GLY 41 HA2 GLY 41 -8.983 -15.319 -2.176 305 HA3 GLY 41 HA1 GLY 41 -7.861 -15.545 -0.835 306 H GLY 42 HN GLY 42 -9.482 -13.916 0.980 307 HA2 GLY 42 HA2 GLY 42 -11.612 -13.945 2.019 308 HA3 GLY 42 HA1 GLY 42 -11.982 -15.434 1.159 309 H HIS 43 HN HIS 43 -9.603 -16.841 1.830 310 HA HIS 43 HA HIS 43 -10.337 -17.457 4.612 311 HB2 HIS 43 HB2 HIS 43 -8.991 -19.293 2.609 312 HB3 HIS 43 HB1 HIS 43 -9.645 -19.737 4.182 313 HD1 HIS 43 HD1 HIS 43 -12.041 -20.465 4.250 314 HD2 HIS 43 HD2 HIS 43 -11.053 -18.587 0.670 315 HE1 HIS 43 HE1 HIS 43 -14.044 -20.752 2.756 316 HE2 HIS 43 HE2 HIS 43 -13.361 -19.742 0.550 317 H GLY 44 HN GLY 44 -8.856 -15.660 5.176 318 HA2 GLY 44 HA2 GLY 44 -6.893 -15.200 6.338 319 HA3 GLY 44 HA1 GLY 44 -6.240 -16.736 5.793 320 H HIS 45 HN HIS 45 -7.619 -14.607 3.473 321 HA HIS 45 HA HIS 45 -4.958 -13.668 2.661 322 HB2 HIS 45 HB2 HIS 45 -6.962 -15.135 0.960 323 HB3 HIS 45 HB1 HIS 45 -5.802 -14.028 0.238 324 HD1 HIS 45 HD1 HIS 45 -3.499 -14.896 -0.184 325 HD2 HIS 45 HD2 HIS 45 -5.724 -17.418 2.265 326 HE1 HIS 45 HE1 HIS 45 -2.118 -16.979 0.080 327 HE2 HIS 45 HE2 HIS 45 -3.576 -18.559 1.387 328 HA PRO 46 HA PRO 46 -7.868 -10.155 2.577 329 HB2 PRO 46 HB2 PRO 46 -6.333 -8.426 3.944 330 HB3 PRO 46 HB1 PRO 46 -7.256 -9.693 4.774 331 HG2 PRO 46 HG2 PRO 46 -4.342 -9.584 4.118 332 HG3 PRO 46 HG1 PRO 46 -5.142 -10.213 5.567 333 HD2 PRO 46 HD2 PRO 46 -4.226 -11.748 3.439 334 HD3 PRO 46 HD1 PRO 46 -5.422 -12.270 4.640 335 H THR 47 HN THR 47 -7.796 -8.263 1.350 336 HA THR 47 HA THR 47 -5.881 -8.208 -0.764 337 HB THR 47 HB THR 47 -7.955 -6.110 -0.097 338 HG1 THR 47 HG1 THR 47 -8.332 -8.284 -1.878 339 HG21 THR 47 HG21 THR 47 -6.668 -6.916 -2.716 340 HG22 THR 47 HG22 THR 47 -6.320 -5.445 -1.806 341 HG23 THR 47 HG23 THR 47 -7.915 -5.686 -2.520 342 H GLN 48 HN GLN 48 -4.120 -6.968 -0.984 343 HA GLN 48 HA GLN 48 -3.680 -4.546 0.450 344 HB2 GLN 48 HB2 GLN 48 -1.675 -5.354 1.715 345 HB3 GLN 48 HB1 GLN 48 -3.205 -5.959 2.325 346 HG2 GLN 48 HG2 GLN 48 -2.817 -8.098 1.244 347 HG3 GLN 48 HG1 GLN 48 -1.302 -7.494 0.569 348 HE21 GLN 48 HE21 GLN 48 -1.851 -9.737 2.439 349 HE22 GLN 48 HE22 GLN 48 -0.863 -9.423 3.820 350 H VAL 49 HN VAL 49 -1.560 -3.602 -0.070 351 HA VAL 49 HA VAL 49 -0.514 -4.750 -2.566 352 HB VAL 49 HB VAL 49 -1.591 -2.621 -2.999 353 HG11 VAL 49 HG11 VAL 49 -0.747 -0.528 -2.028 354 HG12 VAL 49 HG12 VAL 49 0.312 -1.460 -0.969 355 HG13 VAL 49 HG13 VAL 49 -1.439 -1.597 -0.807 356 HG21 VAL 49 HG21 VAL 49 1.415 -2.411 -3.112 357 HG22 VAL 49 HG22 VAL 49 0.282 -1.431 -4.041 358 HG23 VAL 49 HG23 VAL 49 0.373 -3.171 -4.315 359 H ARG 50 HN ARG 50 1.399 -5.588 -2.401 360 HA ARG 50 HA ARG 50 3.153 -4.757 -0.223 361 HB2 ARG 50 HB2 ARG 50 4.405 -6.769 -0.610 362 HB3 ARG 50 HB1 ARG 50 2.698 -7.184 -0.582 363 HG2 ARG 50 HG2 ARG 50 2.651 -7.347 -2.983 364 HG3 ARG 50 HG1 ARG 50 4.321 -6.787 -3.086 365 HD2 ARG 50 HD2 ARG 50 4.945 -8.786 -1.680 366 HD3 ARG 50 HD1 ARG 50 3.299 -9.369 -1.930 367 HE ARG 50 HE ARG 50 4.512 -8.752 -4.418 368 HH11 ARG 50 HH11 ARG 50 4.537 -11.137 -1.858 369 HH12 ARG 50 HH12 ARG 50 5.113 -12.414 -2.880 370 HH21 ARG 50 HH21 ARG 50 5.258 -10.414 -5.767 371 HH22 ARG 50 HH22 ARG 50 5.523 -12.004 -5.117 372 H ILE 51 HN ILE 51 5.121 -3.867 -0.488 373 HA ILE 51 HA ILE 51 5.917 -3.167 -3.231 374 HB ILE 51 HB ILE 51 6.868 -1.850 -0.678 375 HG12 ILE 51 HG12 ILE 51 4.722 -0.906 -2.594 376 HG13 ILE 51 HG11 ILE 51 4.435 -1.513 -0.967 377 HG21 ILE 51 HG21 ILE 51 8.357 -1.660 -2.624 378 HG22 ILE 51 HG22 ILE 51 7.670 -0.099 -2.166 379 HG23 ILE 51 HG23 ILE 51 7.029 -0.969 -3.561 380 HD11 ILE 51 HD11 ILE 51 5.917 0.991 -1.728 381 HD12 ILE 51 HD12 ILE 51 5.783 0.364 -0.087 382 HD13 ILE 51 HD13 ILE 51 4.337 0.880 -0.954 383 H VAL 52 HN VAL 52 7.414 -4.499 -3.961 384 HA VAL 52 HA VAL 52 9.438 -5.536 -2.097 385 HB VAL 52 HB VAL 52 8.529 -6.737 -4.727 386 HG11 VAL 52 HG11 VAL 52 9.911 -8.648 -4.132 387 HG12 VAL 52 HG12 VAL 52 10.421 -7.840 -2.653 388 HG13 VAL 52 HG13 VAL 52 10.888 -7.184 -4.221 389 HG21 VAL 52 HG21 VAL 52 6.829 -6.937 -2.978 390 HG22 VAL 52 HG22 VAL 52 8.019 -7.674 -1.905 391 HG23 VAL 52 HG23 VAL 52 7.527 -8.503 -3.382 392 H ALA 53 HN ALA 53 11.450 -4.872 -2.408 393 HA ALA 53 HA ALA 53 12.031 -3.413 -4.894 394 HB1 ALA 53 HB1 ALA 53 13.383 -3.073 -2.228 395 HB2 ALA 53 HB2 ALA 53 12.029 -2.090 -2.789 396 HB3 ALA 53 HB3 ALA 53 13.562 -2.061 -3.661 397 HA PRO 54 HA PRO 54 14.804 -6.937 -5.569 398 HB2 PRO 54 HB2 PRO 54 15.370 -5.347 -8.011 399 HB3 PRO 54 HB1 PRO 54 14.902 -7.047 -7.858 400 HG2 PRO 54 HG2 PRO 54 13.176 -5.215 -8.751 401 HG3 PRO 54 HG1 PRO 54 12.646 -6.549 -7.707 402 HD2 PRO 54 HD2 PRO 54 13.145 -3.678 -7.015 403 HD3 PRO 54 HD1 PRO 54 11.862 -4.771 -6.449 404 H HIS 55 HN HIS 55 16.991 -7.130 -5.286 405 HA HIS 55 HA HIS 55 18.449 -4.602 -4.919 406 HB2 HIS 55 HB2 HIS 55 19.777 -5.679 -3.181 407 HB3 HIS 55 HB1 HIS 55 18.069 -5.802 -2.791 408 HD1 HIS 55 HD1 HIS 55 21.074 -7.859 -3.599 409 HD2 HIS 55 HD2 HIS 55 17.014 -8.416 -2.882 410 HE1 HIS 55 HE1 HIS 55 20.784 -10.322 -3.194 411 HE2 HIS 55 HE2 HIS 55 18.298 -10.655 -2.984 412 H ALA 56 HN ALA 56 20.163 -4.287 -6.171 413 HA ALA 56 HA ALA 56 21.262 -6.467 -7.724 414 HB1 ALA 56 HB1 ALA 56 22.103 -3.575 -7.535 415 HB2 ALA 56 HB2 ALA 56 21.038 -4.265 -8.757 416 HB3 ALA 56 HB3 ALA 56 22.730 -4.757 -8.682 417 H GLU 57 HN GLU 57 23.335 -7.309 -7.444 418 HA GLU 57 HA GLU 57 25.090 -8.123 -6.280 419 HB2 GLU 57 HB2 GLU 57 24.846 -5.484 -4.846 420 HB3 GLU 57 HB1 GLU 57 26.039 -6.685 -4.378 421 HG2 GLU 57 HG2 GLU 57 27.156 -5.159 -5.771 422 HG3 GLU 57 HG1 GLU 57 26.887 -6.594 -6.752 423 H HIS 58 HN HIS 58 25.419 -9.479 -4.542 424 HA HIS 58 HA HIS 58 22.928 -10.217 -3.270 425 HB2 HIS 58 HB2 HIS 58 25.643 -11.549 -3.260 426 HB3 HIS 58 HB1 HIS 58 24.223 -12.195 -2.447 427 HD1 HIS 58 HD1 HIS 58 22.486 -13.392 -3.871 428 HD2 HIS 58 HD2 HIS 58 25.539 -11.660 -6.101 429 HE1 HIS 58 HE1 HIS 58 22.222 -14.300 -6.200 430 HE2 HIS 58 HE2 HIS 58 24.195 -13.388 -7.473 431 H VAL 59 HN VAL 59 25.915 -8.714 -2.342 432 HA VAL 59 HA VAL 59 24.977 -8.741 0.444 433 HB VAL 59 HB VAL 59 27.348 -8.348 1.123 434 HG11 VAL 59 HG11 VAL 59 26.303 -10.556 1.242 435 HG12 VAL 59 HG12 VAL 59 28.022 -10.677 0.870 436 HG13 VAL 59 HG13 VAL 59 26.826 -10.894 -0.407 437 HG21 VAL 59 HG21 VAL 59 28.159 -7.497 -1.057 438 HG22 VAL 59 HG22 VAL 59 27.997 -9.123 -1.720 439 HG23 VAL 59 HG23 VAL 59 29.146 -8.812 -0.422 440 H ARG 60 HN ARG 60 24.627 -6.876 1.429 441 HA ARG 60 HA ARG 60 25.717 -4.398 0.324 442 HB2 ARG 60 HB2 ARG 60 22.784 -4.829 0.970 443 HB3 ARG 60 HB1 ARG 60 23.508 -3.277 0.584 444 HG2 ARG 60 HG2 ARG 60 24.139 -4.259 -1.654 445 HG3 ARG 60 HG1 ARG 60 23.126 -5.641 -1.232 446 HD2 ARG 60 HD2 ARG 60 21.888 -4.031 -2.594 447 HD3 ARG 60 HD1 ARG 60 21.196 -4.153 -0.976 448 HE ARG 60 HE ARG 60 23.132 -2.043 -1.255 449 HH11 ARG 60 HH11 ARG 60 19.745 -2.863 -1.677 450 HH12 ARG 60 HH12 ARG 60 19.204 -1.224 -1.506 451 HH21 ARG 60 HH21 ARG 60 22.410 0.106 -1.055 452 HH22 ARG 60 HH22 ARG 60 20.713 0.459 -1.143 453 H GLY 61 HN GLY 61 24.665 -2.575 2.029 454 HA2 GLY 61 HA2 GLY 61 25.856 -3.148 4.543 455 HA3 GLY 61 HA1 GLY 61 24.801 -1.781 4.197 456 H TYR 62 HN TYR 62 22.490 -3.015 3.471 457 HA TYR 62 HA TYR 62 21.677 -4.383 5.941 458 HB2 TYR 62 HB2 TYR 62 20.066 -2.946 3.816 459 HB3 TYR 62 HB1 TYR 62 19.342 -3.861 5.130 460 HD1 TYR 62 HD1 TYR 62 21.345 -0.884 4.306 461 HD2 TYR 62 HD2 TYR 62 19.195 -2.940 7.346 462 HE1 TYR 62 HE1 TYR 62 21.470 1.112 5.735 463 HE2 TYR 62 HE2 TYR 62 19.313 -0.947 8.783 464 HH TYR 62 HH TYR 62 20.624 1.050 9.056 465 H ALA 63 HN ALA 63 20.932 -6.440 5.900 466 HA ALA 63 HA ALA 63 21.318 -7.897 3.415 467 HB1 ALA 63 HB1 ALA 63 21.201 -9.898 4.789 468 HB2 ALA 63 HB2 ALA 63 20.752 -8.924 6.189 469 HB3 ALA 63 HB3 ALA 63 22.347 -8.740 5.461 470 H HIS 64 HN HIS 64 18.754 -6.446 4.992 471 HA HIS 64 HA HIS 64 16.817 -8.341 3.853 472 HB2 HIS 64 HB2 HIS 64 16.485 -6.255 6.015 473 HB3 HIS 64 HB1 HIS 64 15.138 -7.124 5.286 474 HD1 HIS 64 HD1 HIS 64 14.869 -9.630 5.887 475 HD2 HIS 64 HD2 HIS 64 18.020 -7.735 7.829 476 HE1 HIS 64 HE1 HIS 64 15.575 -11.197 7.722 477 HE2 HIS 64 HE2 HIS 64 17.529 -10.066 8.838 478 HA PRO 65 HA PRO 65 16.184 -5.086 0.785 479 HB2 PRO 65 HB2 PRO 65 14.516 -7.125 -0.489 480 HB3 PRO 65 HB1 PRO 65 15.963 -6.330 -1.108 481 HG2 PRO 65 HG2 PRO 65 15.932 -8.935 -0.397 482 HG3 PRO 65 HG1 PRO 65 17.374 -7.917 -0.229 483 HD2 PRO 65 HD2 PRO 65 15.402 -8.773 1.856 484 HD3 PRO 65 HD1 PRO 65 17.173 -8.653 1.955 485 H LEU 66 HN LEU 66 14.345 -3.856 0.273 486 HA LEU 66 HA LEU 66 12.430 -3.649 2.288 487 HB2 LEU 66 HB2 LEU 66 13.016 -1.761 0.931 488 HB3 LEU 66 HB1 LEU 66 12.457 -2.567 -0.520 489 HG LEU 66 HG LEU 66 10.137 -2.510 0.426 490 HD11 LEU 66 HD11 LEU 66 10.729 -2.271 2.782 491 HD12 LEU 66 HD12 LEU 66 9.673 -0.965 2.249 492 HD13 LEU 66 HD13 LEU 66 11.399 -0.672 2.455 493 HD21 LEU 66 HD21 LEU 66 9.779 -0.164 -0.107 494 HD22 LEU 66 HD22 LEU 66 10.915 -0.900 -1.237 495 HD23 LEU 66 HD23 LEU 66 11.507 0.148 0.052 496 H ASN 67 HN ASN 67 10.874 -5.044 2.750 497 HA ASN 67 HA ASN 67 9.031 -5.756 0.571 498 HB2 ASN 67 HB2 ASN 67 10.393 -7.769 1.278 499 HB3 ASN 67 HB1 ASN 67 9.667 -7.617 2.878 500 HD21 ASN 67 HD21 ASN 67 7.366 -7.873 3.054 501 HD22 ASN 67 HD22 ASN 67 6.510 -8.839 1.904 502 H LEU 68 HN LEU 68 7.457 -4.348 1.038 503 HA LEU 68 HA LEU 68 6.573 -4.123 3.840 504 HB2 LEU 68 HB2 LEU 68 7.439 -2.024 3.078 505 HB3 LEU 68 HB1 LEU 68 6.548 -2.132 1.573 506 HG LEU 68 HG LEU 68 4.431 -1.896 2.873 507 HD11 LEU 68 HD11 LEU 68 6.311 -1.313 5.150 508 HD12 LEU 68 HD12 LEU 68 5.198 -2.677 5.032 509 HD13 LEU 68 HD13 LEU 68 4.572 -1.036 5.157 510 HD21 LEU 68 HD21 LEU 68 6.468 0.307 3.108 511 HD22 LEU 68 HD22 LEU 68 4.730 0.513 3.321 512 HD23 LEU 68 HD23 LEU 68 5.373 0.012 1.758 513 H ALA 69 HN ALA 69 4.534 -4.637 4.322 514 HA ALA 69 HA ALA 69 2.645 -5.018 2.089 515 HB1 ALA 69 HB1 ALA 69 2.581 -6.334 4.800 516 HB2 ALA 69 HB2 ALA 69 3.198 -7.079 3.325 517 HB3 ALA 69 HB3 ALA 69 1.490 -6.650 3.450 518 H LEU 70 HN LEU 70 1.288 -3.385 1.943 519 HA LEU 70 HA LEU 70 0.606 -1.814 4.310 520 HB2 LEU 70 HB2 LEU 70 0.121 -1.370 1.362 521 HB3 LEU 70 HB1 LEU 70 -0.442 -0.281 2.613 522 HG LEU 70 HG LEU 70 2.476 -0.929 2.180 523 HD11 LEU 70 HD11 LEU 70 1.556 0.103 0.174 524 HD12 LEU 70 HD12 LEU 70 2.634 1.206 1.029 525 HD13 LEU 70 HD13 LEU 70 0.886 1.410 1.149 526 HD21 LEU 70 HD21 LEU 70 1.038 1.231 3.714 527 HD22 LEU 70 HD22 LEU 70 2.778 1.177 3.445 528 HD23 LEU 70 HD23 LEU 70 1.995 -0.089 4.390 529 H THR 71 HN THR 71 -1.203 -2.276 5.406 530 HA THR 71 HA THR 71 -3.535 -3.181 3.857 531 HB THR 71 HB THR 71 -4.290 -4.291 6.044 532 HG1 THR 71 HG1 THR 71 -1.727 -3.480 6.712 533 HG21 THR 71 HG21 THR 71 -2.950 -6.344 5.612 534 HG22 THR 71 HG22 THR 71 -1.961 -5.409 4.491 535 HG23 THR 71 HG23 THR 71 -3.678 -5.647 4.167 536 H TRP 72 HN TRP 72 -5.555 -2.386 4.568 537 HA TRP 72 HA TRP 72 -5.390 -0.096 6.402 538 HB2 TRP 72 HB2 TRP 72 -6.815 -0.245 3.737 539 HB3 TRP 72 HB1 TRP 72 -7.110 1.023 4.926 540 HD1 TRP 72 HD1 TRP 72 -5.212 2.873 5.246 541 HE1 TRP 72 HE1 TRP 72 -3.237 3.594 3.760 542 HE3 TRP 72 HE3 TRP 72 -5.049 -1.158 2.105 543 HZ2 TRP 72 HZ2 TRP 72 -1.808 2.589 1.546 544 HZ3 TRP 72 HZ3 TRP 72 -3.348 -1.197 0.326 545 HH2 TRP 72 HH2 TRP 72 -1.762 0.641 0.059 546 H ASN 73 HN ASN 73 -7.242 0.392 7.556 547 HA ASN 73 HA ASN 73 -8.712 -1.742 8.574 548 HB2 ASN 73 HB2 ASN 73 -9.237 1.231 8.613 549 HB3 ASN 73 HB1 ASN 73 -10.179 0.073 9.546 550 HD21 ASN 73 HD21 ASN 73 -8.315 2.316 10.282 551 HD22 ASN 73 HD22 ASN 73 -7.202 1.597 11.395 552 H THR 74 HN THR 74 -10.397 -2.818 7.843 553 HA THR 74 HA THR 74 -11.425 -2.517 5.277 554 HB THR 74 HB THR 74 -12.829 -3.909 7.562 555 HG1 THR 74 HG1 THR 74 -11.386 -5.495 7.392 556 HG21 THR 74 HG21 THR 74 -14.098 -3.733 5.445 557 HG22 THR 74 HG22 THR 74 -13.677 -5.399 5.839 558 HG23 THR 74 HG23 THR 74 -12.769 -4.529 4.602 559 H ASP 75 HN ASP 75 -12.552 -1.200 8.320 560 HA ASP 75 HA ASP 75 -15.090 -0.327 7.469 561 HB2 ASP 75 HB2 ASP 75 -13.222 0.663 9.618 562 HB3 ASP 75 HB1 ASP 75 -14.790 1.405 9.328 563 H GLU 76 HN GLU 76 -11.985 1.386 7.631 564 HA GLU 76 HA GLU 76 -12.825 3.739 6.391 565 HB2 GLU 76 HB2 GLU 76 -10.066 2.522 6.203 566 HB3 GLU 76 HB1 GLU 76 -10.485 4.214 5.979 567 HG2 GLU 76 HG2 GLU 76 -10.591 2.625 8.526 568 HG3 GLU 76 HG1 GLU 76 -9.520 3.968 8.138 569 H ILE 77 HN ILE 77 -11.724 0.685 4.992 570 HA ILE 77 HA ILE 77 -11.655 1.452 2.303 571 HB ILE 77 HB ILE 77 -12.533 -1.207 3.452 572 HG12 ILE 77 HG12 ILE 77 -9.814 -0.234 2.529 573 HG13 ILE 77 HG11 ILE 77 -10.283 -0.620 4.184 574 HG21 ILE 77 HG21 ILE 77 -13.244 -0.978 1.141 575 HG22 ILE 77 HG22 ILE 77 -11.915 -2.133 1.258 576 HG23 ILE 77 HG23 ILE 77 -11.614 -0.499 0.666 577 HD11 ILE 77 HD11 ILE 77 -8.945 -2.399 3.230 578 HD12 ILE 77 HD12 ILE 77 -10.082 -2.566 1.893 579 HD13 ILE 77 HD13 ILE 77 -10.586 -2.966 3.533 580 H GLU 78 HN GLU 78 -14.357 0.369 4.306 581 HA GLU 78 HA GLU 78 -16.321 0.470 2.260 582 HB2 GLU 78 HB2 GLU 78 -16.555 -0.819 4.370 583 HB3 GLU 78 HB1 GLU 78 -16.653 0.692 5.261 584 HG2 GLU 78 HG2 GLU 78 -18.726 1.249 4.202 585 HG3 GLU 78 HG1 GLU 78 -18.604 -0.150 3.134 586 H ARG 79 HN ARG 79 -15.093 2.776 4.592 587 HA ARG 79 HA ARG 79 -16.821 4.915 4.193 588 HB2 ARG 79 HB2 ARG 79 -15.165 4.914 5.955 589 HB3 ARG 79 HB1 ARG 79 -13.857 4.842 4.788 590 HG2 ARG 79 HG2 ARG 79 -13.976 7.051 5.670 591 HG3 ARG 79 HG1 ARG 79 -14.511 7.093 3.990 592 HD2 ARG 79 HD2 ARG 79 -16.823 7.162 4.693 593 HD3 ARG 79 HD1 ARG 79 -16.343 6.995 6.382 594 HE ARG 79 HE ARG 79 -15.036 9.208 5.711 595 HH11 ARG 79 HH11 ARG 79 -18.340 8.249 5.076 596 HH12 ARG 79 HH12 ARG 79 -18.943 9.881 5.069 597 HH21 ARG 79 HH21 ARG 79 -15.820 11.356 5.699 598 HH22 ARG 79 HH22 ARG 79 -17.510 11.648 5.426 599 H LEU 80 HN LEU 80 -14.190 3.723 2.201 600 HA LEU 80 HA LEU 80 -13.941 6.051 0.571 601 HB2 LEU 80 HB2 LEU 80 -13.127 3.202 -0.002 602 HB3 LEU 80 HB1 LEU 80 -12.638 4.603 -0.934 603 HG LEU 80 HG LEU 80 -11.894 4.011 1.930 604 HD11 LEU 80 HD11 LEU 80 -10.721 2.628 0.315 605 HD12 LEU 80 HD12 LEU 80 -9.630 3.820 1.021 606 HD13 LEU 80 HD13 LEU 80 -10.265 4.062 -0.606 607 HD21 LEU 80 HD21 LEU 80 -12.137 6.400 1.667 608 HD22 LEU 80 HD22 LEU 80 -11.193 6.366 0.180 609 HD23 LEU 80 HD23 LEU 80 -10.422 5.992 1.719 610 H MET 81 HN MET 81 -16.267 3.620 0.734 611 HA MET 81 HA MET 81 -16.950 3.693 -2.088 612 HB2 MET 81 HB2 MET 81 -18.433 2.350 0.182 613 HB3 MET 81 HB1 MET 81 -18.664 2.066 -1.538 614 HG2 MET 81 HG2 MET 81 -16.236 1.366 0.103 615 HG3 MET 81 HG1 MET 81 -17.419 0.256 -0.593 616 HE1 MET 81 HE1 MET 81 -14.045 -0.342 -2.589 617 HE2 MET 81 HE2 MET 81 -15.242 -1.081 -1.526 618 HE3 MET 81 HE3 MET 81 -14.166 0.172 -0.907 619 H GLU 82 HN GLU 82 -17.457 5.663 0.493 620 HA GLU 82 HA GLU 82 -20.172 6.435 -0.223 621 HB2 GLU 82 HB2 GLU 82 -18.285 7.583 1.854 622 HB3 GLU 82 HB1 GLU 82 -19.971 8.030 1.658 623 HG2 GLU 82 HG2 GLU 82 -20.583 5.677 2.181 624 HG3 GLU 82 HG1 GLU 82 -18.884 5.365 2.522 625 H ALA 83 HN ALA 83 -20.543 8.892 -0.467 626 HA ALA 83 HA ALA 83 -19.251 9.768 -2.777 627 HB1 ALA 83 HB1 ALA 83 -20.724 11.483 -0.783 628 HB2 ALA 83 HB2 ALA 83 -21.481 10.525 -2.053 629 HB3 ALA 83 HB3 ALA 83 -20.416 11.863 -2.475 630 H ASP 84 HN ASP 84 -18.820 10.949 0.572 631 HA ASP 84 HA ASP 84 -16.587 12.604 -0.112 632 HB2 ASP 84 HB2 ASP 84 -17.648 11.651 2.556 633 HB3 ASP 84 HB1 ASP 84 -16.231 12.682 2.408 634 H GLY 85 HN GLY 85 -16.870 9.353 -0.022 635 HA2 GLY 85 HA2 GLY 85 -14.407 8.700 1.346 636 HA3 GLY 85 HA1 GLY 85 -15.476 7.580 0.504 637 H ALA 86 HN ALA 86 -15.578 8.221 -2.007 638 HA ALA 86 HA ALA 86 -13.159 7.748 -3.208 639 HB1 ALA 86 HB1 ALA 86 -15.451 9.326 -4.369 640 HB2 ALA 86 HB2 ALA 86 -15.330 7.567 -4.335 641 HB3 ALA 86 HB3 ALA 86 -14.178 8.512 -5.280 642 H ALA 87 HN ALA 87 -14.624 10.861 -2.410 643 HA ALA 87 HA ALA 87 -12.711 12.535 -3.573 644 HB1 ALA 87 HB1 ALA 87 -13.511 14.241 -2.023 645 HB2 ALA 87 HB2 ALA 87 -14.320 13.001 -1.064 646 HB3 ALA 87 HB3 ALA 87 -14.854 13.330 -2.712 647 H ARG 88 HN ARG 88 -12.732 10.850 -0.479 648 HA ARG 88 HA ARG 88 -10.464 12.214 0.583 649 HB2 ARG 88 HB2 ARG 88 -12.146 11.118 2.017 650 HB3 ARG 88 HB1 ARG 88 -11.665 9.554 1.375 651 HG2 ARG 88 HG2 ARG 88 -10.717 10.004 3.599 652 HG3 ARG 88 HG1 ARG 88 -9.475 9.767 2.369 653 HD2 ARG 88 HD2 ARG 88 -8.998 11.648 3.921 654 HD3 ARG 88 HD1 ARG 88 -9.078 12.132 2.229 655 HE ARG 88 HE ARG 88 -11.611 12.519 3.255 656 HH11 ARG 88 HH11 ARG 88 -8.391 13.737 3.923 657 HH12 ARG 88 HH12 ARG 88 -8.959 15.270 4.497 658 HH21 ARG 88 HH21 ARG 88 -12.349 14.535 3.999 659 HH22 ARG 88 HH22 ARG 88 -11.208 15.720 4.553 660 H PHE 89 HN PHE 89 -10.952 9.359 -1.372 661 HA PHE 89 HA PHE 89 -8.366 8.258 -1.072 662 HB2 PHE 89 HB2 PHE 89 -10.226 6.943 -1.988 663 HB3 PHE 89 HB1 PHE 89 -10.291 8.001 -3.397 664 HD1 PHE 89 HD2 PHE 89 -7.781 5.919 -1.559 665 HD2 PHE 89 HD1 PHE 89 -9.283 7.239 -5.318 666 HE1 PHE 89 HE2 PHE 89 -6.162 4.479 -2.708 667 HE2 PHE 89 HE1 PHE 89 -7.665 5.797 -6.470 668 HZ PHE 89 HZ PHE 89 -6.097 4.421 -5.171 669 H GLU 90 HN GLU 90 -9.709 10.628 -3.333 670 HA GLU 90 HA GLU 90 -7.413 10.870 -4.960 671 HB2 GLU 90 HB2 GLU 90 -9.546 12.917 -4.305 672 HB3 GLU 90 HB1 GLU 90 -8.349 13.097 -5.579 673 HG2 GLU 90 HG2 GLU 90 -10.500 10.993 -5.435 674 HG3 GLU 90 HG1 GLU 90 -10.478 12.402 -6.491 675 H ARG 91 HN ARG 91 -8.486 12.541 -2.057 676 HA ARG 91 HA ARG 91 -6.339 14.320 -1.756 677 HB2 ARG 91 HB2 ARG 91 -8.297 14.677 -0.469 678 HB3 ARG 91 HB1 ARG 91 -8.267 13.044 0.173 679 HG2 ARG 91 HG2 ARG 91 -7.649 14.600 1.886 680 HG3 ARG 91 HG1 ARG 91 -6.256 13.609 1.461 681 HD2 ARG 91 HD2 ARG 91 -5.369 15.427 0.098 682 HD3 ARG 91 HD1 ARG 91 -6.779 16.415 0.485 683 HE ARG 91 HE ARG 91 -5.690 15.643 2.906 684 HH11 ARG 91 HH11 ARG 91 -4.635 17.495 0.119 685 HH12 ARG 91 HH12 ARG 91 -3.575 18.511 1.041 686 HH21 ARG 91 HH21 ARG 91 -4.313 16.973 4.117 687 HH22 ARG 91 HH22 ARG 91 -3.402 18.226 3.331 688 H TYR 92 HN TYR 92 -6.680 10.927 -0.979 689 HA TYR 92 HA TYR 92 -4.417 10.775 0.759 690 HB2 TYR 92 HB2 TYR 92 -6.337 9.160 0.781 691 HB3 TYR 92 HB1 TYR 92 -5.783 8.546 -0.771 692 HD1 TYR 92 HD1 TYR 92 -4.642 9.037 2.746 693 HD2 TYR 92 HD2 TYR 92 -4.272 6.775 -0.840 694 HE1 TYR 92 HE1 TYR 92 -3.157 7.455 3.903 695 HE2 TYR 92 HE2 TYR 92 -2.789 5.186 0.311 696 HH TYR 92 HH TYR 92 -2.417 5.123 3.682 697 H LEU 93 HN LEU 93 -4.965 10.411 -2.675 698 HA LEU 93 HA LEU 93 -2.509 9.225 -3.375 699 HB2 LEU 93 HB2 LEU 93 -4.237 11.100 -4.995 700 HB3 LEU 93 HB1 LEU 93 -2.948 10.103 -5.640 701 HG LEU 93 HG LEU 93 -5.458 9.034 -4.341 702 HD11 LEU 93 HD11 LEU 93 -4.705 9.210 -7.254 703 HD12 LEU 93 HD12 LEU 93 -5.944 10.170 -6.446 704 HD13 LEU 93 HD13 LEU 93 -6.142 8.424 -6.599 705 HD21 LEU 93 HD21 LEU 93 -4.716 6.900 -5.376 706 HD22 LEU 93 HD22 LEU 93 -3.649 7.476 -4.100 707 HD23 LEU 93 HD23 LEU 93 -3.188 7.678 -5.789 708 H ALA 94 HN ALA 94 -3.488 12.581 -2.969 709 HA ALA 94 HA ALA 94 -1.039 13.705 -3.866 710 HB1 ALA 94 HB1 ALA 94 -3.135 14.908 -2.064 711 HB2 ALA 94 HB2 ALA 94 -3.135 14.969 -3.825 712 HB3 ALA 94 HB3 ALA 94 -1.866 15.787 -2.916 713 H ALA 95 HN ALA 95 -2.055 12.308 -0.880 714 HA ALA 95 HA ALA 95 0.084 13.605 0.621 715 HB1 ALA 95 HB1 ALA 95 -0.943 12.615 2.589 716 HB2 ALA 95 HB2 ALA 95 -2.070 11.722 1.567 717 HB3 ALA 95 HB3 ALA 95 -2.143 13.483 1.631 718 H LEU 96 HN LEU 96 -0.219 10.925 -1.281 719 HA LEU 96 HA LEU 96 0.854 8.808 0.094 720 HB2 LEU 96 HB2 LEU 96 1.192 9.616 -2.775 721 HB3 LEU 96 HB1 LEU 96 1.899 8.144 -2.145 722 HG LEU 96 HG LEU 96 -1.049 8.769 -2.061 723 HD11 LEU 96 HD11 LEU 96 -1.266 7.187 -3.902 724 HD12 LEU 96 HD12 LEU 96 0.488 7.008 -3.967 725 HD13 LEU 96 HD13 LEU 96 -0.255 8.557 -4.365 726 HD21 LEU 96 HD21 LEU 96 -0.399 7.211 -0.339 727 HD22 LEU 96 HD22 LEU 96 0.524 6.258 -1.500 728 HD23 LEU 96 HD23 LEU 96 -1.234 6.337 -1.621 729 HA PRO 97 HA PRO 97 5.414 10.244 -1.042 730 HB2 PRO 97 HB2 PRO 97 5.659 12.996 -1.056 731 HB3 PRO 97 HB1 PRO 97 5.565 11.992 -2.505 732 HG2 PRO 97 HG2 PRO 97 3.389 13.509 -1.107 733 HG3 PRO 97 HG1 PRO 97 3.727 13.384 -2.845 734 HD2 PRO 97 HD2 PRO 97 1.780 11.945 -1.753 735 HD3 PRO 97 HD1 PRO 97 2.846 11.223 -2.981 736 H ARG 98 HN ARG 98 3.244 12.201 0.901 737 HA ARG 98 HA ARG 98 5.238 12.839 2.866 738 HB2 ARG 98 HB2 ARG 98 3.439 14.404 2.367 739 HB3 ARG 98 HB1 ARG 98 2.240 13.222 2.866 740 HG2 ARG 98 HG2 ARG 98 2.768 13.455 5.115 741 HG3 ARG 98 HG1 ARG 98 4.341 14.176 4.769 742 HD2 ARG 98 HD2 ARG 98 2.603 15.777 5.598 743 HD3 ARG 98 HD1 ARG 98 3.353 16.212 4.067 744 HE ARG 98 HE ARG 98 1.304 15.325 2.987 745 HH11 ARG 98 HH11 ARG 98 1.181 16.320 6.343 746 HH12 ARG 98 HH12 ARG 98 -0.507 16.721 6.289 747 HH21 ARG 98 HH21 ARG 98 -0.921 15.882 2.924 748 HH22 ARG 98 HH22 ARG 98 -1.688 16.479 4.361 749 H LYS 99 HN LYS 99 2.667 10.479 2.506 750 HA LYS 99 HA LYS 99 2.808 9.426 5.143 751 HB2 LYS 99 HB2 LYS 99 1.908 8.128 2.565 752 HB3 LYS 99 HB1 LYS 99 1.650 7.458 4.164 753 HG2 LYS 99 HG2 LYS 99 0.526 10.065 3.159 754 HG3 LYS 99 HG1 LYS 99 -0.354 8.541 3.273 755 HD2 LYS 99 HD2 LYS 99 0.056 8.537 5.716 756 HD3 LYS 99 HD1 LYS 99 0.823 10.118 5.560 757 HE2 LYS 99 HE2 LYS 99 -1.276 11.025 4.652 758 HE3 LYS 99 HE1 LYS 99 -2.036 9.449 4.867 759 HZ1 LYS 99 HZ1 LYS 99 -0.988 11.222 7.004 760 HZ2 LYS 99 HZ2 LYS 99 -1.549 9.650 7.268 761 HZ3 LYS 99 HZ3 LYS 99 -2.611 10.839 6.705 762 H LEU 100 HN LEU 100 4.260 8.482 2.055 763 HA LEU 100 HA LEU 100 5.679 6.248 2.905 764 HB2 LEU 100 HB2 LEU 100 5.991 8.194 0.673 765 HB3 LEU 100 HB1 LEU 100 7.327 7.115 1.006 766 HG LEU 100 HG LEU 100 5.816 6.329 -0.805 767 HD11 LEU 100 HD11 LEU 100 7.202 4.757 0.422 768 HD12 LEU 100 HD12 LEU 100 5.670 4.029 -0.057 769 HD13 LEU 100 HD13 LEU 100 5.919 4.542 1.609 770 HD21 LEU 100 HD21 LEU 100 3.689 7.109 0.051 771 HD22 LEU 100 HD22 LEU 100 3.820 6.010 1.424 772 HD23 LEU 100 HD23 LEU 100 3.646 5.364 -0.208 773 H ALA 101 HN ALA 101 6.621 9.658 2.887 774 HA ALA 101 HA ALA 101 9.256 9.299 3.811 775 HB1 ALA 101 HB1 ALA 101 8.440 11.370 2.776 776 HB2 ALA 101 HB2 ALA 101 9.203 11.668 4.338 777 HB3 ALA 101 HB3 ALA 101 7.446 11.678 4.199 778 H ALA 102 HN ALA 102 6.186 9.685 5.508 779 HA ALA 102 HA ALA 102 7.257 10.039 8.093 780 HB1 ALA 102 HB1 ALA 102 4.569 8.945 7.268 781 HB2 ALA 102 HB2 ALA 102 4.963 10.641 7.542 782 HB3 ALA 102 HB3 ALA 102 5.001 9.501 8.886 783 H TRP 103 HN TRP 103 6.257 7.167 6.291 784 HA TRP 103 HA TRP 103 6.610 5.352 8.437 785 HB2 TRP 103 HB2 TRP 103 6.578 4.895 5.444 786 HB3 TRP 103 HB1 TRP 103 6.627 3.595 6.633 787 HD1 TRP 103 HD1 TRP 103 4.474 4.850 8.679 788 HE1 TRP 103 HE1 TRP 103 1.988 4.840 8.021 789 HE3 TRP 103 HE3 TRP 103 4.976 4.337 3.624 790 HZ2 TRP 103 HZ2 TRP 103 0.446 4.645 5.670 791 HZ3 TRP 103 HZ3 TRP 103 2.944 4.244 2.241 792 HH2 TRP 103 HH2 TRP 103 0.726 4.395 3.246 793 H GLU 104 HN GLU 104 8.796 6.694 6.058 794 HA GLU 104 HA GLU 104 10.945 4.931 6.403 795 HB2 GLU 104 HB2 GLU 104 11.022 7.900 5.837 796 HB3 GLU 104 HB1 GLU 104 12.381 6.800 5.658 797 HG2 GLU 104 HG2 GLU 104 10.976 5.514 4.014 798 HG3 GLU 104 HG1 GLU 104 9.834 6.860 4.075 799 H ASN 105 HN ASN 105 10.157 7.936 8.079 800 HA ASN 105 HA ASN 105 12.409 7.836 9.811 801 HB2 ASN 105 HB2 ASN 105 11.245 9.936 9.221 802 HB3 ASN 105 HB1 ASN 105 9.823 9.384 10.099 803 HD21 ASN 105 HD21 ASN 105 13.179 8.962 11.119 804 HD22 ASN 105 HD22 ASN 105 13.061 9.979 12.515 805 H ALA 106 HN ALA 106 9.020 6.867 10.152 806 HA ALA 106 HA ALA 106 9.324 6.413 12.978 807 HB1 ALA 106 HB1 ALA 106 7.239 7.303 12.034 808 HB2 ALA 106 HB2 ALA 106 6.979 5.824 12.959 809 HB3 ALA 106 HB3 ALA 106 6.982 5.772 11.196 810 H ARG 107 HN ARG 107 9.651 4.413 10.141 811 HA ARG 107 HA ARG 107 9.503 2.059 11.907 812 HB2 ARG 107 HB2 ARG 107 8.936 2.206 8.947 813 HB3 ARG 107 HB1 ARG 107 8.898 0.739 9.912 814 HG2 ARG 107 HG2 ARG 107 7.106 3.135 10.306 815 HG3 ARG 107 HG1 ARG 107 6.659 1.645 9.477 816 HD2 ARG 107 HD2 ARG 107 7.433 1.906 12.387 817 HD3 ARG 107 HD1 ARG 107 5.809 1.638 11.760 818 HE ARG 107 HE ARG 107 7.921 -0.325 11.197 819 HH11 ARG 107 HH11 ARG 107 4.919 0.500 12.813 820 HH12 ARG 107 HH12 ARG 107 4.511 -1.151 13.155 821 HH21 ARG 107 HH21 ARG 107 7.394 -2.487 11.681 822 HH22 ARG 107 HH22 ARG 107 5.910 -2.847 12.507 823 H GLY 108 HN GLY 108 11.769 3.930 10.543 824 HA2 GLY 108 HA2 GLY 108 14.008 3.588 10.100 825 HA3 GLY 108 HA1 GLY 108 13.811 1.979 10.790 826 H VAL 109 HN VAL 109 12.463 3.582 7.940 827 HA VAL 109 HA VAL 109 13.381 1.299 6.312 828 HB VAL 109 HB VAL 109 10.675 2.662 6.163 829 HG11 VAL 109 HG11 VAL 109 11.790 0.486 4.401 830 HG12 VAL 109 HG12 VAL 109 11.507 2.157 3.921 831 HG13 VAL 109 HG13 VAL 109 10.146 1.121 4.349 832 HG21 VAL 109 HG21 VAL 109 10.837 1.023 7.965 833 HG22 VAL 109 HG22 VAL 109 11.400 -0.190 6.815 834 HG23 VAL 109 HG23 VAL 109 9.767 0.458 6.682 835 H ASP 110 HN ASP 110 14.054 1.827 4.197 836 HA ASP 110 HA ASP 110 13.929 4.683 3.500 837 HB2 ASP 110 HB2 ASP 110 16.215 3.954 4.391 838 HB3 ASP 110 HB1 ASP 110 16.360 2.983 2.923 839 H PHE 111 HN PHE 111 12.729 4.815 1.724 840 HA PHE 111 HA PHE 111 12.427 2.516 -0.003 841 HB2 PHE 111 HB2 PHE 111 11.160 5.257 -0.054 842 HB3 PHE 111 HB1 PHE 111 10.781 3.984 -1.205 843 HD1 PHE 111 HD1 PHE 111 9.534 2.022 -0.519 844 HD2 PHE 111 HD2 PHE 111 10.410 5.138 2.234 845 HE1 PHE 111 HE1 PHE 111 7.837 1.129 1.018 846 HE2 PHE 111 HE2 PHE 111 8.718 4.253 3.781 847 HZ PHE 111 HZ PHE 111 7.472 2.210 3.203 848 H GLY 112 HN GLY 112 14.512 5.152 0.108 849 HA2 GLY 112 HA2 GLY 112 14.876 5.435 -2.746 850 HA3 GLY 112 HA1 GLY 112 15.871 6.157 -1.488 851 H SER 113 HN SER 113 16.855 4.168 -0.083 852 HA SER 113 HA SER 113 18.673 2.871 -1.900 853 HB2 SER 113 HB2 SER 113 19.354 3.797 0.336 854 HB3 SER 113 HB1 SER 113 18.429 2.501 1.098 855 HG SER 113 HG SER 113 20.192 1.388 0.897 856 H ARG 114 HN ARG 114 15.707 2.146 -0.429 857 HA ARG 114 HA ARG 114 14.265 0.430 -0.679 858 HB2 ARG 114 HB2 ARG 114 16.317 -0.415 -2.712 859 HB3 ARG 114 HB1 ARG 114 14.837 -1.328 -2.420 860 HG2 ARG 114 HG2 ARG 114 13.477 0.494 -3.114 861 HG3 ARG 114 HG1 ARG 114 14.860 1.590 -3.149 862 HD2 ARG 114 HD2 ARG 114 14.536 -0.829 -4.917 863 HD3 ARG 114 HD1 ARG 114 14.144 0.822 -5.392 864 HE ARG 114 HE ARG 114 16.725 0.969 -4.546 865 HH11 ARG 114 HH11 ARG 114 15.025 -0.930 -6.946 866 HH12 ARG 114 HH12 ARG 114 16.425 -1.135 -7.954 867 HH21 ARG 114 HH21 ARG 114 18.556 0.728 -5.877 868 HH22 ARG 114 HH22 ARG 114 18.433 -0.187 -7.346 869 H THR 115 HN THR 115 16.118 0.409 1.409 870 HA THR 115 HA THR 115 16.251 -2.472 1.956 871 HB THR 115 HB THR 115 18.249 -1.688 3.494 872 HG1 THR 115 HG1 THR 115 18.734 0.337 3.114 873 HG21 THR 115 HG21 THR 115 18.468 -3.365 1.744 874 HG22 THR 115 HG22 THR 115 19.827 -2.245 1.670 875 HG23 THR 115 HG23 THR 115 18.507 -2.105 0.511 876 H GLN 116 HN GLN 116 16.265 -2.934 4.346 877 HA GLN 116 HA GLN 116 14.987 -0.842 5.931 878 HB2 GLN 116 HB2 GLN 116 13.238 -2.484 6.686 879 HB3 GLN 116 HB1 GLN 116 13.078 -1.946 5.022 880 HG2 GLN 116 HG2 GLN 116 13.960 -4.009 4.200 881 HG3 GLN 116 HG1 GLN 116 14.368 -4.540 5.832 882 HE21 GLN 116 HE21 GLN 116 11.920 -3.572 7.018 883 HE22 GLN 116 HE22 GLN 116 10.672 -4.645 6.505 884 H ALA 117 HN ALA 117 15.060 -1.167 8.178 885 HA ALA 117 HA ALA 117 17.379 -2.685 9.015 886 HB1 ALA 117 HB1 ALA 117 17.038 -0.368 9.773 887 HB2 ALA 117 HB2 ALA 117 17.146 -1.504 11.119 888 HB3 ALA 117 HB3 ALA 117 15.577 -0.877 10.618 889 H ASP 118 HN ASP 118 14.009 -3.091 8.962 890 HA ASP 118 HA ASP 118 13.974 -5.004 11.155 891 HB2 ASP 118 HB2 ASP 118 11.843 -3.841 9.374 892 HB3 ASP 118 HB1 ASP 118 11.517 -5.251 10.379 893 H ALA 119 HN ALA 119 12.834 -7.135 10.730 894 HA ALA 119 HA ALA 119 14.050 -8.484 8.515 895 HB1 ALA 119 HB1 ALA 119 11.973 -9.418 10.498 896 HB2 ALA 119 HB2 ALA 119 13.713 -9.671 10.605 897 HB3 ALA 119 HB3 ALA 119 12.784 -10.452 9.325 898 H LEU 120 HN LEU 120 10.632 -8.046 9.444 899 HA LEU 120 HA LEU 120 9.972 -7.577 6.631 900 HB2 LEU 120 HB2 LEU 120 9.517 -9.948 7.178 901 HB3 LEU 120 HB1 LEU 120 8.507 -9.441 8.511 902 HG LEU 120 HG LEU 120 6.955 -8.381 6.904 903 HD11 LEU 120 HD11 LEU 120 8.451 -7.900 5.094 904 HD12 LEU 120 HD12 LEU 120 7.181 -8.978 4.520 905 HD13 LEU 120 HD13 LEU 120 8.788 -9.615 4.865 906 HD21 LEU 120 HD21 LEU 120 6.513 -10.620 7.699 907 HD22 LEU 120 HD22 LEU 120 7.543 -11.298 6.437 908 HD23 LEU 120 HD23 LEU 120 6.043 -10.477 6.006 909 H VAL 121 HN VAL 121 8.460 -5.947 6.356 910 HA VAL 121 HA VAL 121 7.460 -4.780 8.861 911 HB VAL 121 HB VAL 121 9.096 -3.300 7.883 912 HG11 VAL 121 HG11 VAL 121 8.892 -2.325 5.689 913 HG12 VAL 121 HG12 VAL 121 7.404 -3.225 5.397 914 HG13 VAL 121 HG13 VAL 121 8.935 -4.084 5.555 915 HG21 VAL 121 HG21 VAL 121 7.747 -1.265 7.626 916 HG22 VAL 121 HG22 VAL 121 7.212 -2.251 8.986 917 HG23 VAL 121 HG23 VAL 121 6.297 -2.257 7.479 918 H LEU 122 HN LEU 122 5.468 -5.486 9.048 919 HA LEU 122 HA LEU 122 3.642 -5.211 6.758 920 HB2 LEU 122 HB2 LEU 122 3.187 -6.749 9.316 921 HB3 LEU 122 HB1 LEU 122 2.208 -6.807 7.865 922 HG LEU 122 HG LEU 122 5.026 -7.863 8.153 923 HD11 LEU 122 HD11 LEU 122 2.383 -9.270 7.830 924 HD12 LEU 122 HD12 LEU 122 3.388 -9.245 9.280 925 HD13 LEU 122 HD13 LEU 122 3.966 -10.043 7.817 926 HD21 LEU 122 HD21 LEU 122 3.170 -7.949 5.782 927 HD22 LEU 122 HD22 LEU 122 4.734 -8.753 5.905 928 HD23 LEU 122 HD23 LEU 122 4.646 -6.992 5.909 929 H LEU 123 HN LEU 123 2.654 -3.294 6.809 930 HA LEU 123 HA LEU 123 2.100 -2.041 9.390 931 HB2 LEU 123 HB2 LEU 123 1.810 -0.934 6.596 932 HB3 LEU 123 HB1 LEU 123 1.591 -0.027 8.080 933 HG LEU 123 HG LEU 123 4.178 -1.221 7.090 934 HD11 LEU 123 HD11 LEU 123 4.881 1.086 6.817 935 HD12 LEU 123 HD12 LEU 123 3.305 1.650 7.371 936 HD13 LEU 123 HD13 LEU 123 3.439 0.762 5.853 937 HD21 LEU 123 HD21 LEU 123 4.114 -1.300 9.509 938 HD22 LEU 123 HD22 LEU 123 3.593 0.384 9.575 939 HD23 LEU 123 HD23 LEU 123 5.202 -0.021 8.978 940 H GLY 124 HN GLY 124 0.258 -2.598 10.294 941 HA2 GLY 124 HA2 GLY 124 -2.136 -2.831 8.591 942 HA3 GLY 124 HA1 GLY 124 -1.918 -3.678 10.114 943 H GLY 125 HN GLY 125 -4.206 -2.286 9.767 944 HA2 GLY 125 HA2 GLY 125 -5.528 -0.815 10.927 945 HA3 GLY 125 HA1 GLY 125 -4.157 -0.532 11.990 946 H LEU 126 HN LEU 126 -3.687 0.052 8.623 947 HA LEU 126 HA LEU 126 -3.161 2.802 9.101 948 HB2 LEU 126 HB2 LEU 126 -3.081 1.013 6.739 949 HB3 LEU 126 HB1 LEU 126 -3.213 2.736 6.434 950 HG LEU 126 HG LEU 126 -1.141 3.136 7.670 951 HD11 LEU 126 HD11 LEU 126 -1.367 1.245 9.254 952 HD12 LEU 126 HD12 LEU 126 0.221 1.348 8.500 953 HD13 LEU 126 HD13 LEU 126 -0.942 0.143 7.943 954 HD21 LEU 126 HD21 LEU 126 -1.032 2.705 5.276 955 HD22 LEU 126 HD22 LEU 126 -0.888 0.974 5.583 956 HD23 LEU 126 HD23 LEU 126 0.394 2.071 6.096 957 H ASP 127 HN ASP 127 -4.187 4.609 8.348 958 HA ASP 127 HA ASP 127 -7.021 4.296 7.589 959 HB2 ASP 127 HB2 ASP 127 -5.768 6.440 9.340 960 HB3 ASP 127 HB1 ASP 127 -7.440 6.453 8.784 961 H PHE 128 HN PHE 128 -7.851 6.249 6.390 962 HA PHE 128 HA PHE 128 -5.799 7.113 4.479 963 HB2 PHE 128 HB2 PHE 128 -8.810 6.992 4.278 964 HB3 PHE 128 HB1 PHE 128 -7.787 7.727 3.050 965 HD1 PHE 128 HD2 PHE 128 -8.684 4.565 4.711 966 HD2 PHE 128 HD1 PHE 128 -6.567 6.398 1.501 967 HE1 PHE 128 HE2 PHE 128 -8.374 2.364 3.662 968 HE2 PHE 128 HE1 PHE 128 -6.260 4.199 0.442 969 HZ PHE 128 HZ PHE 128 -7.164 2.176 1.523 970 H GLU 129 HN GLU 129 -6.353 8.300 7.148 971 HA GLU 129 HA GLU 129 -7.586 10.828 6.723 972 HB2 GLU 129 HB2 GLU 129 -5.750 9.903 8.942 973 HB3 GLU 129 HB1 GLU 129 -6.710 11.375 8.958 974 HG2 GLU 129 HG2 GLU 129 -7.804 8.575 8.829 975 HG3 GLU 129 HG1 GLU 129 -7.751 9.596 10.263 976 H ALA 130 HN ALA 130 -6.732 12.267 5.405 977 HA ALA 130 HA ALA 130 -3.856 12.825 5.574 978 HB1 ALA 130 HB1 ALA 130 -4.198 11.428 3.613 979 HB2 ALA 130 HB2 ALA 130 -3.761 13.068 3.134 980 HB3 ALA 130 HB3 ALA 130 -5.437 12.534 3.022 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -28.763 -14.610 6.790 2 H2 GLY 1 HT2 GLY 1 -27.595 -14.776 8.002 3 H3 GLY 1 HT3 GLY 1 -28.424 -16.131 7.438 4 HA2 GLY 1 HA1 GLY 1 -27.406 -15.946 5.287 5 HA3 GLY 1 HA2 GLY 1 -26.594 -14.477 5.804 6 H ALA 2 HN ALA 2 -25.078 -16.490 4.815 7 HA ALA 2 HA ALA 2 -24.064 -18.046 7.064 8 HB1 ALA 2 HB1 ALA 2 -24.389 -19.174 4.910 9 HB2 ALA 2 HB2 ALA 2 -22.696 -19.200 5.407 10 HB3 ALA 2 HB3 ALA 2 -23.233 -18.072 4.162 11 H MET 3 HN MET 3 -23.023 -15.518 4.830 12 HA MET 3 HA MET 3 -20.572 -15.212 6.431 13 HB2 MET 3 HB2 MET 3 -21.101 -14.423 3.556 14 HB3 MET 3 HB1 MET 3 -19.614 -14.073 4.429 15 HG2 MET 3 HG2 MET 3 -20.699 -16.798 3.735 16 HG3 MET 3 HG1 MET 3 -19.319 -15.992 2.993 17 HE1 MET 3 HE1 MET 3 -19.140 -18.947 4.106 18 HE2 MET 3 HE2 MET 3 -17.589 -18.885 4.944 19 HE3 MET 3 HE3 MET 3 -17.784 -18.079 3.388 20 H GLY 4 HN GLY 4 -22.021 -12.897 4.172 21 HA2 GLY 4 HA2 GLY 4 -22.954 -10.823 4.535 22 HA3 GLY 4 HA1 GLY 4 -23.161 -11.264 6.221 23 H MET 5 HN MET 5 -20.210 -11.016 4.274 24 HA MET 5 HA MET 5 -19.236 -9.012 6.197 25 HB2 MET 5 HB2 MET 5 -16.993 -9.767 5.775 26 HB3 MET 5 HB1 MET 5 -17.980 -11.173 6.147 27 HG2 MET 5 HG2 MET 5 -17.100 -10.297 3.401 28 HG3 MET 5 HG1 MET 5 -16.428 -11.633 4.333 29 HE1 MET 5 HE1 MET 5 -16.756 -13.405 2.459 30 HE2 MET 5 HE2 MET 5 -17.307 -12.115 1.390 31 HE3 MET 5 HE3 MET 5 -18.245 -13.602 1.535 32 H SER 6 HN SER 6 -20.815 -8.772 3.655 33 HA SER 6 HA SER 6 -20.983 -7.444 1.835 34 HB2 SER 6 HB2 SER 6 -18.752 -5.892 3.162 35 HB3 SER 6 HB1 SER 6 -19.822 -5.290 1.898 36 HG SER 6 HG SER 6 -20.484 -6.018 4.556 37 HA PRO 7 HA PRO 7 -17.354 -9.676 -0.094 38 HB2 PRO 7 HB2 PRO 7 -19.449 -10.547 -1.969 39 HB3 PRO 7 HB1 PRO 7 -18.257 -11.511 -1.099 40 HG2 PRO 7 HG2 PRO 7 -20.866 -11.547 -0.450 41 HG3 PRO 7 HG1 PRO 7 -19.588 -11.721 0.767 42 HD2 PRO 7 HD2 PRO 7 -21.266 -9.337 0.098 43 HD3 PRO 7 HD1 PRO 7 -20.700 -9.909 1.681 44 H ASP 8 HN ASP 8 -19.886 -7.601 -1.175 45 HA ASP 8 HA ASP 8 -18.841 -7.057 -3.781 46 HB2 ASP 8 HB2 ASP 8 -21.205 -6.680 -3.285 47 HB3 ASP 8 HB1 ASP 8 -20.778 -5.488 -2.062 48 H THR 9 HN THR 9 -18.581 -5.562 -0.609 49 HA THR 9 HA THR 9 -17.162 -3.260 -1.362 50 HB THR 9 HB THR 9 -17.018 -4.773 1.256 51 HG1 THR 9 HG1 THR 9 -18.923 -3.074 0.122 52 HG21 THR 9 HG21 THR 9 -15.227 -3.137 1.027 53 HG22 THR 9 HG22 THR 9 -16.412 -2.591 2.215 54 HG23 THR 9 HG23 THR 9 -16.400 -1.893 0.596 55 H ALA 10 HN ALA 10 -16.024 -6.408 -0.159 56 HA ALA 10 HA ALA 10 -13.285 -5.842 -0.246 57 HB1 ALA 10 HB1 ALA 10 -14.252 -7.716 1.001 58 HB2 ALA 10 HB2 ALA 10 -12.958 -8.242 -0.073 59 HB3 ALA 10 HB3 ALA 10 -14.640 -8.520 -0.519 60 H ARG 11 HN ARG 11 -15.425 -7.311 -2.655 61 HA ARG 11 HA ARG 11 -13.361 -8.003 -4.470 62 HB2 ARG 11 HB2 ARG 11 -15.554 -9.097 -4.471 63 HB3 ARG 11 HB1 ARG 11 -16.310 -7.591 -4.974 64 HG2 ARG 11 HG2 ARG 11 -15.091 -7.667 -7.081 65 HG3 ARG 11 HG1 ARG 11 -14.293 -9.158 -6.572 66 HD2 ARG 11 HD2 ARG 11 -17.261 -8.783 -6.952 67 HD3 ARG 11 HD1 ARG 11 -16.177 -9.620 -8.062 68 HE ARG 11 HE ARG 11 -15.789 -11.245 -6.249 69 HH11 ARG 11 HH11 ARG 11 -18.665 -9.241 -6.089 70 HH12 ARG 11 HH12 ARG 11 -19.558 -10.383 -5.143 71 HH21 ARG 11 HH21 ARG 11 -16.961 -12.741 -5.006 72 HH22 ARG 11 HH22 ARG 11 -18.590 -12.379 -4.523 73 H ARG 12 HN ARG 12 -15.558 -5.237 -4.263 74 HA ARG 12 HA ARG 12 -14.781 -4.047 -6.698 75 HB2 ARG 12 HB2 ARG 12 -16.274 -3.150 -4.283 76 HB3 ARG 12 HB1 ARG 12 -15.704 -1.923 -5.407 77 HG2 ARG 12 HG2 ARG 12 -16.908 -3.016 -7.225 78 HG3 ARG 12 HG1 ARG 12 -17.463 -4.266 -6.113 79 HD2 ARG 12 HD2 ARG 12 -18.932 -2.855 -5.048 80 HD3 ARG 12 HD1 ARG 12 -18.015 -1.409 -5.471 81 HE ARG 12 HE ARG 12 -18.854 -2.149 -7.866 82 HH11 ARG 12 HH11 ARG 12 -20.667 -2.242 -4.876 83 HH12 ARG 12 HH12 ARG 12 -22.151 -1.715 -5.614 84 HH21 ARG 12 HH21 ARG 12 -20.812 -1.470 -8.841 85 HH22 ARG 12 HH22 ARG 12 -22.237 -1.300 -7.866 86 H PHE 13 HN PHE 13 -13.561 -3.710 -3.403 87 HA PHE 13 HA PHE 13 -11.813 -1.554 -3.947 88 HB2 PHE 13 HB2 PHE 13 -12.411 -2.175 -1.659 89 HB3 PHE 13 HB1 PHE 13 -11.604 -3.723 -1.846 90 HD1 PHE 13 HD1 PHE 13 -11.082 -0.085 -1.573 91 HD2 PHE 13 HD2 PHE 13 -9.252 -3.926 -1.593 92 HE1 PHE 13 HE1 PHE 13 -8.989 0.910 -0.754 93 HE2 PHE 13 HE2 PHE 13 -7.156 -2.937 -0.774 94 HZ PHE 13 HZ PHE 13 -7.022 -0.514 -0.352 95 H ASP 14 HN ASP 14 -11.443 -5.045 -4.093 96 HA ASP 14 HA ASP 14 -8.670 -5.103 -4.591 97 HB2 ASP 14 HB2 ASP 14 -9.680 -7.096 -3.818 98 HB3 ASP 14 HB1 ASP 14 -10.893 -7.068 -5.090 99 H THR 15 HN THR 15 -11.434 -4.763 -6.721 100 HA THR 15 HA THR 15 -9.765 -5.188 -9.062 101 HB THR 15 HB THR 15 -12.030 -4.780 -10.248 102 HG1 THR 15 HG1 THR 15 -13.036 -5.502 -7.688 103 HG21 THR 15 HG21 THR 15 -11.605 -7.171 -8.452 104 HG22 THR 15 HG22 THR 15 -10.945 -6.959 -10.075 105 HG23 THR 15 HG23 THR 15 -12.685 -7.113 -9.843 106 H GLU 16 HN GLU 16 -11.673 -2.551 -7.615 107 HA GLU 16 HA GLU 16 -11.000 -0.819 -9.855 108 HB2 GLU 16 HB2 GLU 16 -13.288 -0.818 -8.961 109 HB3 GLU 16 HB1 GLU 16 -12.680 -0.290 -7.399 110 HG2 GLU 16 HG2 GLU 16 -13.520 1.637 -8.412 111 HG3 GLU 16 HG1 GLU 16 -11.770 1.743 -8.598 112 H PHE 17 HN PHE 17 -10.295 -1.017 -6.378 113 HA PHE 17 HA PHE 17 -8.918 1.556 -6.558 114 HB2 PHE 17 HB2 PHE 17 -9.778 -0.089 -4.179 115 HB3 PHE 17 HB1 PHE 17 -8.852 1.401 -4.049 116 HD1 PHE 17 HD2 PHE 17 -12.079 -0.023 -5.144 117 HD2 PHE 17 HD1 PHE 17 -9.913 3.522 -4.210 118 HE1 PHE 17 HE2 PHE 17 -14.171 1.268 -5.195 119 HE2 PHE 17 HE1 PHE 17 -12.000 4.817 -4.264 120 HZ PHE 17 HZ PHE 17 -14.124 3.705 -4.733 121 H ALA 18 HN ALA 18 -8.233 -1.763 -5.420 122 HA ALA 18 HA ALA 18 -5.729 -1.273 -4.363 123 HB1 ALA 18 HB1 ALA 18 -6.994 -3.351 -4.036 124 HB2 ALA 18 HB2 ALA 18 -5.312 -3.637 -4.480 125 HB3 ALA 18 HB3 ALA 18 -6.586 -3.838 -5.679 126 HA PRO 19 HA PRO 19 -3.654 -2.405 -8.638 127 HB2 PRO 19 HB2 PRO 19 -5.758 -1.450 -10.506 128 HB3 PRO 19 HB1 PRO 19 -4.694 -2.860 -10.633 129 HG2 PRO 19 HG2 PRO 19 -7.265 -3.164 -10.046 130 HG3 PRO 19 HG1 PRO 19 -6.031 -4.152 -9.240 131 HD2 PRO 19 HD2 PRO 19 -7.488 -1.737 -8.220 132 HD3 PRO 19 HD1 PRO 19 -7.115 -3.259 -7.386 133 H ARG 20 HN ARG 20 -5.870 0.282 -8.229 134 HA ARG 20 HA ARG 20 -4.307 2.148 -9.743 135 HB2 ARG 20 HB2 ARG 20 -6.721 2.452 -9.500 136 HB3 ARG 20 HB1 ARG 20 -6.547 2.593 -7.757 137 HG2 ARG 20 HG2 ARG 20 -5.266 4.649 -8.042 138 HG3 ARG 20 HG1 ARG 20 -5.419 4.504 -9.795 139 HD2 ARG 20 HD2 ARG 20 -7.829 4.698 -9.630 140 HD3 ARG 20 HD1 ARG 20 -7.727 4.746 -7.872 141 HE ARG 20 HE ARG 20 -6.184 6.822 -9.053 142 HH11 ARG 20 HH11 ARG 20 -9.464 5.885 -8.277 143 HH12 ARG 20 HH12 ARG 20 -10.045 7.516 -8.157 144 HH21 ARG 20 HH21 ARG 20 -6.931 8.979 -8.902 145 HH22 ARG 20 HH22 ARG 20 -8.598 9.282 -8.522 146 H ILE 21 HN ILE 21 -4.730 1.364 -6.326 147 HA ILE 21 HA ILE 21 -3.101 3.379 -5.241 148 HB ILE 21 HB ILE 21 -3.522 0.571 -4.192 149 HG12 ILE 21 HG12 ILE 21 -5.013 3.116 -3.516 150 HG13 ILE 21 HG11 ILE 21 -5.629 1.853 -4.576 151 HG21 ILE 21 HG21 ILE 21 -2.686 3.070 -2.719 152 HG22 ILE 21 HG22 ILE 21 -1.607 1.753 -3.181 153 HG23 ILE 21 HG23 ILE 21 -2.904 1.464 -2.023 154 HD11 ILE 21 HD11 ILE 21 -5.013 1.584 -1.639 155 HD12 ILE 21 HD12 ILE 21 -5.552 0.274 -2.688 156 HD13 ILE 21 HD13 ILE 21 -6.610 1.650 -2.384 157 H ALA 22 HN ALA 22 -2.368 0.056 -6.221 158 HA ALA 22 HA ALA 22 0.353 0.052 -5.560 159 HB1 ALA 22 HB1 ALA 22 -1.082 -1.511 -7.703 160 HB2 ALA 22 HB2 ALA 22 -0.915 -1.981 -6.012 161 HB3 ALA 22 HB3 ALA 22 0.510 -1.888 -7.047 162 H ARG 23 HN ARG 23 -1.331 1.110 -8.449 163 HA ARG 23 HA ARG 23 0.992 1.435 -10.054 164 HB2 ARG 23 HB2 ARG 23 -1.190 1.147 -11.070 165 HB3 ARG 23 HB1 ARG 23 -1.779 2.609 -10.296 166 HG2 ARG 23 HG2 ARG 23 -0.447 3.991 -11.667 167 HG3 ARG 23 HG1 ARG 23 0.500 2.618 -12.249 168 HD2 ARG 23 HD2 ARG 23 -2.440 3.053 -12.759 169 HD3 ARG 23 HD1 ARG 23 -1.145 3.398 -13.907 170 HE ARG 23 HE ARG 23 -0.621 0.907 -13.608 171 HH11 ARG 23 HH11 ARG 23 -3.842 2.278 -13.533 172 HH12 ARG 23 HH12 ARG 23 -4.612 0.810 -14.045 173 HH21 ARG 23 HH21 ARG 23 -1.637 -1.024 -14.277 174 HH22 ARG 23 HH22 ARG 23 -3.360 -1.058 -14.476 175 H ALA 24 HN ALA 24 -0.933 3.660 -8.081 176 HA ALA 24 HA ALA 24 0.433 6.017 -8.800 177 HB1 ALA 24 HB1 ALA 24 -0.593 6.995 -6.812 178 HB2 ALA 24 HB2 ALA 24 -1.036 5.386 -6.241 179 HB3 ALA 24 HB3 ALA 24 -1.760 6.030 -7.715 180 H ILE 25 HN ILE 25 0.842 3.765 -6.115 181 HA ILE 25 HA ILE 25 3.001 5.058 -4.878 182 HB ILE 25 HB ILE 25 2.287 2.120 -4.900 183 HG12 ILE 25 HG12 ILE 25 1.697 4.311 -2.890 184 HG13 ILE 25 HG11 ILE 25 0.532 3.603 -4.004 185 HG21 ILE 25 HG21 ILE 25 4.601 2.383 -4.258 186 HG22 ILE 25 HG22 ILE 25 3.636 1.987 -2.836 187 HG23 ILE 25 HG23 ILE 25 4.171 3.645 -3.103 188 HD11 ILE 25 HD11 ILE 25 0.787 1.446 -2.902 189 HD12 ILE 25 HD12 ILE 25 0.289 2.698 -1.765 190 HD13 ILE 25 HD13 ILE 25 1.965 2.148 -1.795 191 H ALA 26 HN ALA 26 2.898 2.562 -7.393 192 HA ALA 26 HA ALA 26 5.646 2.040 -7.529 193 HB1 ALA 26 HB1 ALA 26 5.197 1.094 -9.734 194 HB2 ALA 26 HB2 ALA 26 3.607 1.858 -9.744 195 HB3 ALA 26 HB3 ALA 26 3.972 0.596 -8.568 196 H ASP 27 HN ASP 27 3.664 4.458 -9.164 197 HA ASP 27 HA ASP 27 5.754 5.442 -10.830 198 HB2 ASP 27 HB2 ASP 27 3.402 5.805 -11.406 199 HB3 ASP 27 HB1 ASP 27 3.181 6.769 -9.951 200 H LEU 28 HN LEU 28 4.573 6.230 -7.633 201 HA LEU 28 HA LEU 28 5.978 8.671 -7.324 202 HB2 LEU 28 HB2 LEU 28 4.075 8.026 -5.904 203 HB3 LEU 28 HB1 LEU 28 5.010 6.699 -5.248 204 HG LEU 28 HG LEU 28 6.613 8.375 -4.307 205 HD11 LEU 28 HD11 LEU 28 5.830 10.702 -4.113 206 HD12 LEU 28 HD12 LEU 28 4.501 10.327 -5.208 207 HD13 LEU 28 HD13 LEU 28 6.168 10.239 -5.779 208 HD21 LEU 28 HD21 LEU 28 3.734 8.599 -3.433 209 HD22 LEU 28 HD22 LEU 28 5.137 9.042 -2.465 210 HD23 LEU 28 HD23 LEU 28 4.882 7.359 -2.924 211 H LEU 29 HN LEU 29 6.746 5.307 -6.743 212 HA LEU 29 HA LEU 29 9.315 5.928 -5.553 213 HB2 LEU 29 HB2 LEU 29 8.139 3.266 -6.370 214 HB3 LEU 29 HB1 LEU 29 9.564 3.503 -5.375 215 HG LEU 29 HG LEU 29 6.774 4.348 -4.605 216 HD11 LEU 29 HD11 LEU 29 6.931 1.935 -4.714 217 HD12 LEU 29 HD12 LEU 29 6.862 2.466 -3.035 218 HD13 LEU 29 HD13 LEU 29 8.399 1.965 -3.738 219 HD21 LEU 29 HD21 LEU 29 8.440 5.722 -3.534 220 HD22 LEU 29 HD22 LEU 29 9.363 4.297 -3.062 221 HD23 LEU 29 HD23 LEU 29 7.775 4.592 -2.355 222 H ASN 30 HN ASN 30 8.379 6.332 -8.528 223 HA ASN 30 HA ASN 30 9.339 6.372 -10.580 224 HB2 ASN 30 HB2 ASN 30 11.809 6.203 -8.853 225 HB3 ASN 30 HB1 ASN 30 11.891 6.396 -10.598 226 HD21 ASN 30 HD21 ASN 30 11.254 8.337 -11.521 227 HD22 ASN 30 HD22 ASN 30 11.038 9.778 -10.586 228 H HIS 31 HN HIS 31 8.496 3.822 -9.506 229 HA HIS 31 HA HIS 31 8.459 1.631 -10.076 230 HB2 HIS 31 HB2 HIS 31 10.074 2.588 -12.447 231 HB3 HIS 31 HB1 HIS 31 9.344 0.995 -12.313 232 HD1 HIS 31 HD1 HIS 31 8.759 3.894 -14.068 233 HD2 HIS 31 HD2 HIS 31 6.314 1.618 -11.596 234 HE1 HIS 31 HE1 HIS 31 6.408 4.477 -14.723 235 HE2 HIS 31 HE2 HIS 31 4.943 3.058 -13.246 236 H ARG 32 HN ARG 32 10.838 2.794 -8.539 237 HA ARG 32 HA ARG 32 12.974 0.950 -9.112 238 HB2 ARG 32 HB2 ARG 32 12.467 2.839 -6.813 239 HB3 ARG 32 HB1 ARG 32 13.876 1.792 -6.889 240 HG2 ARG 32 HG2 ARG 32 14.573 2.879 -8.963 241 HG3 ARG 32 HG1 ARG 32 13.156 3.929 -8.888 242 HD2 ARG 32 HD2 ARG 32 13.930 4.885 -6.812 243 HD3 ARG 32 HD1 ARG 32 15.292 3.767 -6.771 244 HE ARG 32 HE ARG 32 15.503 5.141 -9.155 245 HH11 ARG 32 HH11 ARG 32 15.427 5.969 -5.762 246 HH12 ARG 32 HH12 ARG 32 16.477 7.337 -5.937 247 HH21 ARG 32 HH21 ARG 32 16.878 6.947 -9.402 248 HH22 ARG 32 HH22 ARG 32 17.305 7.896 -8.012 249 H ALA 33 HN ALA 33 10.115 0.952 -7.239 250 HA ALA 33 HA ALA 33 10.868 -1.643 -6.085 251 HB1 ALA 33 HB1 ALA 33 10.418 0.050 -4.371 252 HB2 ALA 33 HB2 ALA 33 9.215 -1.238 -4.337 253 HB3 ALA 33 HB3 ALA 33 8.819 0.321 -5.061 254 H HIS 34 HN HIS 34 9.376 -3.313 -6.240 255 HA HIS 34 HA HIS 34 7.432 -2.967 -8.416 256 HB2 HIS 34 HB2 HIS 34 9.143 -4.665 -8.852 257 HB3 HIS 34 HB1 HIS 34 8.784 -5.457 -7.321 258 HD1 HIS 34 HD1 HIS 34 7.495 -5.068 -10.818 259 HD2 HIS 34 HD2 HIS 34 6.504 -7.076 -7.314 260 HE1 HIS 34 HE1 HIS 34 5.745 -6.751 -11.470 261 HE2 HIS 34 HE2 HIS 34 5.005 -7.786 -9.291 262 H THR 35 HN THR 35 5.315 -3.146 -8.005 263 HA THR 35 HA THR 35 4.551 -4.001 -5.299 264 HB THR 35 HB THR 35 2.524 -2.593 -5.621 265 HG1 THR 35 HG1 THR 35 2.990 -0.934 -7.426 266 HG21 THR 35 HG21 THR 35 5.099 -1.067 -6.009 267 HG22 THR 35 HG22 THR 35 4.579 -1.770 -4.480 268 HG23 THR 35 HG23 THR 35 3.629 -0.483 -5.227 269 H ASP 36 HN ASP 36 2.793 -5.362 -5.027 270 HA ASP 36 HA ASP 36 1.577 -6.466 -7.463 271 HB2 ASP 36 HB2 ASP 36 2.678 -8.085 -5.153 272 HB3 ASP 36 HB1 ASP 36 1.620 -8.743 -6.391 273 H VAL 37 HN VAL 37 -0.527 -7.260 -7.194 274 HA VAL 37 HA VAL 37 -1.865 -6.095 -4.860 275 HB VAL 37 HB VAL 37 -3.053 -6.989 -7.496 276 HG11 VAL 37 HG11 VAL 37 -5.086 -5.868 -6.746 277 HG12 VAL 37 HG12 VAL 37 -4.317 -5.480 -5.208 278 HG13 VAL 37 HG13 VAL 37 -4.635 -7.162 -5.634 279 HG21 VAL 37 HG21 VAL 37 -1.624 -5.024 -7.749 280 HG22 VAL 37 HG22 VAL 37 -2.502 -4.209 -6.455 281 HG23 VAL 37 HG23 VAL 37 -3.323 -4.605 -7.966 282 H VAL 38 HN VAL 38 -2.249 -7.461 -3.270 283 HA VAL 38 HA VAL 38 -2.868 -10.264 -3.841 284 HB VAL 38 HB VAL 38 -2.507 -8.876 -1.176 285 HG11 VAL 38 HG11 VAL 38 -3.882 -10.882 -1.030 286 HG12 VAL 38 HG12 VAL 38 -2.318 -11.118 -0.251 287 HG13 VAL 38 HG13 VAL 38 -2.621 -11.810 -1.845 288 HG21 VAL 38 HG21 VAL 38 -0.430 -8.822 -2.398 289 HG22 VAL 38 HG22 VAL 38 -0.570 -10.539 -2.776 290 HG23 VAL 38 HG23 VAL 38 -0.318 -10.020 -1.109 291 H GLY 39 HN GLY 39 -4.972 -10.483 -4.414 292 HA2 GLY 39 HA2 GLY 39 -6.879 -8.575 -3.266 293 HA3 GLY 39 HA1 GLY 39 -7.089 -9.448 -4.774 294 H TYR 40 HN TYR 40 -9.160 -9.389 -3.186 295 HA TYR 40 HA TYR 40 -9.293 -11.597 -1.370 296 HB2 TYR 40 HB2 TYR 40 -10.762 -9.683 -1.046 297 HB3 TYR 40 HB1 TYR 40 -11.449 -9.899 -2.655 298 HD1 TYR 40 HD1 TYR 40 -11.071 -11.671 0.613 299 HD2 TYR 40 HD2 TYR 40 -13.412 -11.130 -2.905 300 HE1 TYR 40 HE1 TYR 40 -12.828 -13.103 1.565 301 HE2 TYR 40 HE2 TYR 40 -15.173 -12.559 -1.956 302 HH TYR 40 HH TYR 40 -15.191 -13.509 1.332 303 H GLY 41 HN GLY 41 -9.634 -13.663 -1.840 304 HA2 GLY 41 HA2 GLY 41 -10.654 -14.322 -4.530 305 HA3 GLY 41 HA1 GLY 41 -9.490 -15.313 -3.653 306 H GLY 42 HN GLY 42 -10.277 -17.015 -2.611 307 HA2 GLY 42 HA2 GLY 42 -13.170 -17.251 -2.339 308 HA3 GLY 42 HA1 GLY 42 -11.997 -18.549 -2.163 309 H HIS 43 HN HIS 43 -10.436 -18.142 -0.213 310 HA HIS 43 HA HIS 43 -11.863 -16.990 2.060 311 HB2 HIS 43 HB2 HIS 43 -11.039 -19.901 1.939 312 HB3 HIS 43 HB1 HIS 43 -11.538 -19.067 3.402 313 HD1 HIS 43 HD1 HIS 43 -14.054 -18.561 3.688 314 HD2 HIS 43 HD2 HIS 43 -13.111 -20.622 0.200 315 HE1 HIS 43 HE1 HIS 43 -16.244 -19.381 2.774 316 HE2 HIS 43 HE2 HIS 43 -15.633 -20.756 0.754 317 H GLY 44 HN GLY 44 -10.555 -16.320 3.691 318 HA2 GLY 44 HA2 GLY 44 -8.653 -15.850 4.875 319 HA3 GLY 44 HA1 GLY 44 -8.042 -17.394 4.317 320 H HIS 45 HN HIS 45 -8.899 -14.593 2.337 321 HA HIS 45 HA HIS 45 -6.048 -14.206 1.740 322 HB2 HIS 45 HB2 HIS 45 -7.574 -15.637 0.029 323 HB3 HIS 45 HB1 HIS 45 -7.920 -14.014 -0.559 324 HD1 HIS 45 HD1 HIS 45 -6.170 -12.917 -2.009 325 HD2 HIS 45 HD2 HIS 45 -4.788 -16.360 -0.122 326 HE1 HIS 45 HE1 HIS 45 -3.923 -13.403 -3.031 327 HE2 HIS 45 HE2 HIS 45 -3.042 -15.391 -1.759 328 HA PRO 46 HA PRO 46 -8.328 -10.243 2.660 329 HB2 PRO 46 HB2 PRO 46 -5.748 -9.590 3.942 330 HB3 PRO 46 HB1 PRO 46 -7.388 -9.496 4.603 331 HG2 PRO 46 HG2 PRO 46 -5.659 -11.384 5.410 332 HG3 PRO 46 HG1 PRO 46 -7.396 -11.718 5.254 333 HD2 PRO 46 HD2 PRO 46 -5.155 -12.428 3.395 334 HD3 PRO 46 HD1 PRO 46 -6.554 -13.401 3.897 335 H THR 47 HN THR 47 -8.089 -8.288 1.633 336 HA THR 47 HA THR 47 -6.244 -8.265 -0.580 337 HB THR 47 HB THR 47 -8.278 -6.173 0.216 338 HG1 THR 47 HG1 THR 47 -8.575 -8.685 -0.776 339 HG21 THR 47 HG21 THR 47 -6.915 -6.755 -2.425 340 HG22 THR 47 HG22 THR 47 -6.637 -5.350 -1.400 341 HG23 THR 47 HG23 THR 47 -8.200 -5.574 -2.184 342 H GLN 48 HN GLN 48 -4.420 -7.131 -0.745 343 HA GLN 48 HA GLN 48 -3.845 -4.774 0.759 344 HB2 GLN 48 HB2 GLN 48 -2.039 -5.624 2.118 345 HB3 GLN 48 HB1 GLN 48 -3.486 -6.548 2.484 346 HG2 GLN 48 HG2 GLN 48 -2.636 -8.310 0.911 347 HG3 GLN 48 HG1 GLN 48 -1.121 -7.409 0.843 348 HE21 GLN 48 HE21 GLN 48 0.105 -9.009 1.809 349 HE22 GLN 48 HE22 GLN 48 -0.061 -9.439 3.474 350 H VAL 49 HN VAL 49 -1.688 -3.914 0.175 351 HA VAL 49 HA VAL 49 -0.762 -5.098 -2.354 352 HB VAL 49 HB VAL 49 -1.785 -2.913 -2.731 353 HG11 VAL 49 HG11 VAL 49 0.324 -1.838 -0.861 354 HG12 VAL 49 HG12 VAL 49 -1.411 -1.894 -0.551 355 HG13 VAL 49 HG13 VAL 49 -0.778 -0.867 -1.837 356 HG21 VAL 49 HG21 VAL 49 0.070 -1.845 -3.917 357 HG22 VAL 49 HG22 VAL 49 0.068 -3.593 -4.157 358 HG23 VAL 49 HG23 VAL 49 1.214 -2.856 -3.038 359 H ARG 50 HN ARG 50 1.212 -5.851 -2.393 360 HA ARG 50 HA ARG 50 2.994 -5.211 -0.164 361 HB2 ARG 50 HB2 ARG 50 4.258 -7.184 -0.754 362 HB3 ARG 50 HB1 ARG 50 2.556 -7.604 -0.652 363 HG2 ARG 50 HG2 ARG 50 2.388 -7.573 -3.080 364 HG3 ARG 50 HG1 ARG 50 4.084 -7.098 -3.199 365 HD2 ARG 50 HD2 ARG 50 4.695 -9.206 -2.032 366 HD3 ARG 50 HD1 ARG 50 2.998 -9.680 -2.083 367 HE ARG 50 HE ARG 50 4.222 -9.032 -4.642 368 HH11 ARG 50 HH11 ARG 50 3.306 -11.541 -2.370 369 HH12 ARG 50 HH12 ARG 50 3.360 -12.803 -3.559 370 HH21 ARG 50 HH21 ARG 50 4.296 -10.689 -6.188 371 HH22 ARG 50 HH22 ARG 50 3.921 -12.322 -5.727 372 H ILE 51 HN ILE 51 4.778 -4.054 -0.388 373 HA ILE 51 HA ILE 51 5.622 -3.325 -3.111 374 HB ILE 51 HB ILE 51 6.186 -1.780 -0.574 375 HG12 ILE 51 HG12 ILE 51 4.090 -1.220 -2.686 376 HG13 ILE 51 HG11 ILE 51 3.751 -1.860 -1.082 377 HG21 ILE 51 HG21 ILE 51 6.794 0.019 -2.119 378 HG22 ILE 51 HG22 ILE 51 6.446 -1.035 -3.487 379 HG23 ILE 51 HG23 ILE 51 7.777 -1.419 -2.395 380 HD11 ILE 51 HD11 ILE 51 5.010 0.812 -1.647 381 HD12 ILE 51 HD12 ILE 51 4.550 0.177 -0.068 382 HD13 ILE 51 HD13 ILE 51 3.311 0.541 -1.265 383 H VAL 52 HN VAL 52 7.407 -4.325 -3.707 384 HA VAL 52 HA VAL 52 9.348 -5.115 -1.641 385 HB VAL 52 HB VAL 52 8.647 -6.679 -4.139 386 HG11 VAL 52 HG11 VAL 52 10.023 -8.447 -3.225 387 HG12 VAL 52 HG12 VAL 52 10.382 -7.472 -1.801 388 HG13 VAL 52 HG13 VAL 52 10.974 -6.970 -3.386 389 HG21 VAL 52 HG21 VAL 52 6.804 -6.746 -2.565 390 HG22 VAL 52 HG22 VAL 52 7.900 -7.213 -1.265 391 HG23 VAL 52 HG23 VAL 52 7.618 -8.309 -2.616 392 H ALA 53 HN ALA 53 11.500 -4.909 -2.143 393 HA ALA 53 HA ALA 53 12.122 -3.576 -4.694 394 HB1 ALA 53 HB1 ALA 53 13.624 -3.339 -2.085 395 HB2 ALA 53 HB2 ALA 53 12.485 -2.146 -2.708 396 HB3 ALA 53 HB3 ALA 53 13.979 -2.480 -3.584 397 HA PRO 54 HA PRO 54 14.278 -7.573 -4.886 398 HB2 PRO 54 HB2 PRO 54 13.986 -7.986 -7.524 399 HB3 PRO 54 HB1 PRO 54 12.644 -8.232 -6.393 400 HG2 PRO 54 HG2 PRO 54 13.185 -5.936 -8.226 401 HG3 PRO 54 HG1 PRO 54 11.644 -6.713 -7.826 402 HD2 PRO 54 HD2 PRO 54 12.569 -4.354 -6.703 403 HD3 PRO 54 HD1 PRO 54 11.345 -5.412 -5.976 404 H HIS 55 HN HIS 55 16.235 -8.254 -5.838 405 HA HIS 55 HA HIS 55 18.323 -8.106 -6.703 406 HB2 HIS 55 HB2 HIS 55 17.399 -5.636 -8.186 407 HB3 HIS 55 HB1 HIS 55 18.785 -6.650 -8.572 408 HD1 HIS 55 HD1 HIS 55 15.454 -6.050 -9.630 409 HD2 HIS 55 HD2 HIS 55 17.791 -9.454 -9.192 410 HE1 HIS 55 HE1 HIS 55 14.338 -7.820 -11.019 411 HE2 HIS 55 HE2 HIS 55 15.809 -9.851 -10.801 412 H ALA 56 HN ALA 56 17.423 -6.645 -4.285 413 HA ALA 56 HA ALA 56 19.032 -4.271 -4.136 414 HB1 ALA 56 HB1 ALA 56 17.710 -5.842 -1.929 415 HB2 ALA 56 HB2 ALA 56 16.989 -4.496 -2.811 416 HB3 ALA 56 HB3 ALA 56 18.399 -4.225 -1.787 417 H GLU 57 HN GLU 57 21.143 -4.184 -3.727 418 HA GLU 57 HA GLU 57 22.640 -6.582 -3.366 419 HB2 GLU 57 HB2 GLU 57 23.341 -4.421 -4.588 420 HB3 GLU 57 HB1 GLU 57 23.714 -3.793 -2.990 421 HG2 GLU 57 HG2 GLU 57 25.711 -4.647 -4.030 422 HG3 GLU 57 HG1 GLU 57 25.283 -5.645 -2.640 423 H HIS 58 HN HIS 58 23.179 -7.549 -1.525 424 HA HIS 58 HA HIS 58 22.876 -6.028 0.978 425 HB2 HIS 58 HB2 HIS 58 22.050 -8.193 2.007 426 HB3 HIS 58 HB1 HIS 58 20.947 -7.410 0.885 427 HD1 HIS 58 HD1 HIS 58 20.490 -8.616 -1.370 428 HD2 HIS 58 HD2 HIS 58 22.978 -10.719 1.218 429 HE1 HIS 58 HE1 HIS 58 20.585 -10.960 -2.274 430 HE2 HIS 58 HE2 HIS 58 22.208 -12.174 -0.781 431 H VAL 59 HN VAL 59 25.290 -6.240 -0.291 432 HA VAL 59 HA VAL 59 26.809 -8.412 0.857 433 HB VAL 59 HB VAL 59 27.784 -5.939 -0.592 434 HG11 VAL 59 HG11 VAL 59 29.522 -6.866 0.816 435 HG12 VAL 59 HG12 VAL 59 29.873 -7.216 -0.877 436 HG13 VAL 59 HG13 VAL 59 29.222 -8.479 0.168 437 HG21 VAL 59 HG21 VAL 59 28.079 -7.440 -2.508 438 HG22 VAL 59 HG22 VAL 59 26.389 -7.340 -2.013 439 HG23 VAL 59 HG23 VAL 59 27.350 -8.753 -1.583 440 H ARG 60 HN ARG 60 26.631 -4.895 1.297 441 HA ARG 60 HA ARG 60 27.574 -5.227 4.035 442 HB2 ARG 60 HB2 ARG 60 29.205 -3.383 3.792 443 HB3 ARG 60 HB1 ARG 60 29.613 -4.754 2.772 444 HG2 ARG 60 HG2 ARG 60 28.658 -3.581 0.838 445 HG3 ARG 60 HG1 ARG 60 28.296 -2.198 1.875 446 HD2 ARG 60 HD2 ARG 60 30.369 -1.854 0.623 447 HD3 ARG 60 HD1 ARG 60 30.672 -1.928 2.358 448 HE ARG 60 HE ARG 60 31.064 -4.306 0.669 449 HH11 ARG 60 HH11 ARG 60 32.346 -1.885 2.839 450 HH12 ARG 60 HH12 ARG 60 33.855 -2.707 3.067 451 HH21 ARG 60 HH21 ARG 60 33.038 -5.395 0.971 452 HH22 ARG 60 HH22 ARG 60 34.250 -4.706 2.008 453 H GLY 61 HN GLY 61 27.072 -3.414 5.400 454 HA2 GLY 61 HA2 GLY 61 25.949 -1.369 5.860 455 HA3 GLY 61 HA1 GLY 61 25.185 -1.467 4.276 456 H TYR 62 HN TYR 62 23.084 -1.984 4.318 457 HA TYR 62 HA TYR 62 22.133 -3.613 6.572 458 HB2 TYR 62 HB2 TYR 62 20.486 -1.973 4.620 459 HB3 TYR 62 HB1 TYR 62 19.885 -2.806 6.054 460 HD1 TYR 62 HD2 TYR 62 21.145 -2.088 8.306 461 HD2 TYR 62 HD1 TYR 62 20.881 0.302 4.791 462 HE1 TYR 62 HE2 TYR 62 21.536 -0.064 9.653 463 HE2 TYR 62 HE1 TYR 62 21.274 2.325 6.131 464 HH TYR 62 HH TYR 62 20.991 3.056 8.478 465 H ALA 63 HN ALA 63 21.663 -5.676 6.198 466 HA ALA 63 HA ALA 63 21.748 -6.604 3.426 467 HB1 ALA 63 HB1 ALA 63 21.948 -8.183 5.987 468 HB2 ALA 63 HB2 ALA 63 23.312 -7.608 5.028 469 HB3 ALA 63 HB3 ALA 63 22.203 -8.802 4.355 470 H HIS 64 HN HIS 64 19.379 -5.391 4.842 471 HA HIS 64 HA HIS 64 17.520 -7.663 4.696 472 HB2 HIS 64 HB2 HIS 64 17.164 -4.962 6.021 473 HB3 HIS 64 HB1 HIS 64 15.944 -6.233 5.968 474 HD1 HIS 64 HD1 HIS 64 16.311 -8.291 7.501 475 HD2 HIS 64 HD2 HIS 64 19.211 -5.337 7.881 476 HE1 HIS 64 HE1 HIS 64 17.575 -8.850 9.604 477 HE2 HIS 64 HE2 HIS 64 19.354 -7.070 9.793 478 HA PRO 65 HA PRO 65 16.332 -5.776 0.766 479 HB2 PRO 65 HB2 PRO 65 14.405 -8.019 0.858 480 HB3 PRO 65 HB1 PRO 65 15.562 -7.584 -0.403 481 HG2 PRO 65 HG2 PRO 65 15.962 -9.712 1.156 482 HG3 PRO 65 HG1 PRO 65 17.312 -8.685 0.637 483 HD2 PRO 65 HD2 PRO 65 15.895 -8.765 3.274 484 HD3 PRO 65 HD1 PRO 65 17.630 -8.595 2.929 485 H LEU 66 HN LEU 66 14.750 -4.312 0.386 486 HA LEU 66 HA LEU 66 13.010 -3.607 2.510 487 HB2 LEU 66 HB2 LEU 66 14.068 -2.065 0.806 488 HB3 LEU 66 HB1 LEU 66 12.875 -2.634 -0.340 489 HG LEU 66 HG LEU 66 12.059 -1.349 2.259 490 HD11 LEU 66 HD11 LEU 66 11.865 0.760 1.012 491 HD12 LEU 66 HD12 LEU 66 12.658 0.002 -0.370 492 HD13 LEU 66 HD13 LEU 66 13.537 0.217 1.145 493 HD21 LEU 66 HD21 LEU 66 10.695 -1.625 -0.422 494 HD22 LEU 66 HD22 LEU 66 10.026 -0.819 0.997 495 HD23 LEU 66 HD23 LEU 66 10.323 -2.558 1.029 496 H ASN 67 HN ASN 67 11.172 -4.547 3.015 497 HA ASN 67 HA ASN 67 9.304 -5.257 0.870 498 HB2 ASN 67 HB2 ASN 67 10.413 -7.362 1.636 499 HB3 ASN 67 HB1 ASN 67 9.852 -7.028 3.275 500 HD21 ASN 67 HD21 ASN 67 7.652 -7.257 3.753 501 HD22 ASN 67 HD22 ASN 67 6.575 -8.123 2.714 502 H LEU 68 HN LEU 68 7.097 -4.916 1.458 503 HA LEU 68 HA LEU 68 6.593 -3.715 4.023 504 HB2 LEU 68 HB2 LEU 68 7.482 -1.777 2.960 505 HB3 LEU 68 HB1 LEU 68 6.639 -2.120 1.465 506 HG LEU 68 HG LEU 68 4.493 -1.575 2.554 507 HD11 LEU 68 HD11 LEU 68 5.078 -2.165 4.849 508 HD12 LEU 68 HD12 LEU 68 4.472 -0.514 4.746 509 HD13 LEU 68 HD13 LEU 68 6.202 -0.808 4.915 510 HD21 LEU 68 HD21 LEU 68 4.799 0.801 2.618 511 HD22 LEU 68 HD22 LEU 68 5.850 0.137 1.366 512 HD23 LEU 68 HD23 LEU 68 6.526 0.615 2.921 513 H ALA 69 HN ALA 69 4.604 -4.241 4.592 514 HA ALA 69 HA ALA 69 2.685 -4.954 2.466 515 HB1 ALA 69 HB1 ALA 69 2.732 -5.914 5.323 516 HB2 ALA 69 HB2 ALA 69 3.305 -6.825 3.927 517 HB3 ALA 69 HB3 ALA 69 1.595 -6.416 4.072 518 H LEU 70 HN LEU 70 1.348 -3.328 2.114 519 HA LEU 70 HA LEU 70 0.511 -1.607 4.325 520 HB2 LEU 70 HB2 LEU 70 0.097 -1.403 1.338 521 HB3 LEU 70 HB1 LEU 70 -0.540 -0.250 2.494 522 HG LEU 70 HG LEU 70 2.402 -0.799 2.055 523 HD11 LEU 70 HD11 LEU 70 0.674 1.483 1.124 524 HD12 LEU 70 HD12 LEU 70 1.385 0.231 0.106 525 HD13 LEU 70 HD13 LEU 70 2.426 1.375 0.954 526 HD21 LEU 70 HD21 LEU 70 2.688 1.278 3.359 527 HD22 LEU 70 HD22 LEU 70 1.955 -0.018 4.302 528 HD23 LEU 70 HD23 LEU 70 0.954 1.293 3.677 529 H THR 71 HN THR 71 -1.275 -2.161 5.410 530 HA THR 71 HA THR 71 -3.522 -3.243 3.849 531 HB THR 71 HB THR 71 -4.242 -4.477 5.881 532 HG1 THR 71 HG1 THR 71 -1.787 -3.445 6.899 533 HG21 THR 71 HG21 THR 71 -2.932 -5.690 4.230 534 HG22 THR 71 HG22 THR 71 -2.490 -6.220 5.852 535 HG23 THR 71 HG23 THR 71 -1.434 -5.120 4.966 536 H TRP 72 HN TRP 72 -5.614 -2.513 4.532 537 HA TRP 72 HA TRP 72 -5.501 -0.073 6.167 538 HB2 TRP 72 HB2 TRP 72 -6.858 -0.478 3.501 539 HB3 TRP 72 HB1 TRP 72 -7.274 0.851 4.587 540 HD1 TRP 72 HD1 TRP 72 -5.355 2.732 5.001 541 HE1 TRP 72 HE1 TRP 72 -3.387 3.481 3.523 542 HE3 TRP 72 HE3 TRP 72 -5.149 -1.279 1.833 543 HZ2 TRP 72 HZ2 TRP 72 -1.950 2.509 1.304 544 HZ3 TRP 72 HZ3 TRP 72 -3.445 -1.286 0.058 545 HH2 TRP 72 HH2 TRP 72 -1.879 0.571 -0.195 546 H ASN 73 HN ASN 73 -7.348 0.506 7.262 547 HA ASN 73 HA ASN 73 -8.728 -1.582 8.504 548 HB2 ASN 73 HB2 ASN 73 -9.134 1.400 8.431 549 HB3 ASN 73 HB1 ASN 73 -10.188 0.350 9.372 550 HD21 ASN 73 HD21 ASN 73 -8.235 2.451 10.175 551 HD22 ASN 73 HD22 ASN 73 -7.184 1.664 11.305 552 H THR 74 HN THR 74 -10.716 -2.404 8.308 553 HA THR 74 HA THR 74 -11.829 -2.649 5.762 554 HB THR 74 HB THR 74 -13.434 -3.197 8.239 555 HG1 THR 74 HG1 THR 74 -12.008 -4.607 8.939 556 HG21 THR 74 HG21 THR 74 -14.329 -3.750 5.982 557 HG22 THR 74 HG22 THR 74 -14.132 -5.163 7.017 558 HG23 THR 74 HG23 THR 74 -12.960 -4.833 5.742 559 H ASP 75 HN ASP 75 -12.532 -0.427 8.357 560 HA ASP 75 HA ASP 75 -15.052 0.508 7.468 561 HB2 ASP 75 HB2 ASP 75 -12.874 1.886 9.054 562 HB3 ASP 75 HB1 ASP 75 -14.438 2.619 8.726 563 H GLU 76 HN GLU 76 -11.762 1.620 6.897 564 HA GLU 76 HA GLU 76 -12.290 3.808 5.266 565 HB2 GLU 76 HB2 GLU 76 -9.954 1.901 5.079 566 HB3 GLU 76 HB1 GLU 76 -10.012 3.527 4.419 567 HG2 GLU 76 HG2 GLU 76 -10.151 2.797 7.330 568 HG3 GLU 76 HG1 GLU 76 -8.744 3.437 6.488 569 H ILE 77 HN ILE 77 -11.643 0.434 4.347 570 HA ILE 77 HA ILE 77 -11.817 0.679 1.616 571 HB ILE 77 HB ILE 77 -12.747 -1.642 3.315 572 HG12 ILE 77 HG12 ILE 77 -10.059 -1.028 2.047 573 HG13 ILE 77 HG11 ILE 77 -10.426 -1.030 3.771 574 HG21 ILE 77 HG21 ILE 77 -13.600 -1.806 1.032 575 HG22 ILE 77 HG22 ILE 77 -12.359 -3.022 1.330 576 HG23 ILE 77 HG23 ILE 77 -11.972 -1.575 0.401 577 HD11 ILE 77 HD11 ILE 77 -9.232 -3.039 3.133 578 HD12 ILE 77 HD12 ILE 77 -10.478 -3.426 1.947 579 HD13 ILE 77 HD13 ILE 77 -10.865 -3.437 3.666 580 H GLU 78 HN GLU 78 -14.509 0.089 3.884 581 HA GLU 78 HA GLU 78 -16.496 -0.055 1.858 582 HB2 GLU 78 HB2 GLU 78 -16.864 -0.987 4.087 583 HB3 GLU 78 HB1 GLU 78 -16.746 0.616 4.798 584 HG2 GLU 78 HG2 GLU 78 -18.765 1.308 3.672 585 HG3 GLU 78 HG1 GLU 78 -18.863 -0.243 2.840 586 H ARG 79 HN ARG 79 -15.183 2.557 3.788 587 HA ARG 79 HA ARG 79 -17.048 4.544 3.121 588 HB2 ARG 79 HB2 ARG 79 -14.181 4.683 4.039 589 HB3 ARG 79 HB1 ARG 79 -15.155 6.123 3.766 590 HG2 ARG 79 HG2 ARG 79 -16.712 5.465 5.466 591 HG3 ARG 79 HG1 ARG 79 -15.912 3.906 5.656 592 HD2 ARG 79 HD2 ARG 79 -13.932 4.982 6.523 593 HD3 ARG 79 HD1 ARG 79 -14.622 6.576 6.211 594 HE ARG 79 HE ARG 79 -16.458 5.516 7.827 595 HH11 ARG 79 HH11 ARG 79 -12.957 5.568 8.124 596 HH12 ARG 79 HH12 ARG 79 -12.997 5.612 9.861 597 HH21 ARG 79 HH21 ARG 79 -16.495 5.557 10.100 598 HH22 ARG 79 HH22 ARG 79 -15.002 5.591 10.983 599 H LEU 80 HN LEU 80 -14.322 3.273 1.373 600 HA LEU 80 HA LEU 80 -13.880 5.480 -0.335 601 HB2 LEU 80 HB2 LEU 80 -13.321 2.550 -0.772 602 HB3 LEU 80 HB1 LEU 80 -12.737 3.838 -1.807 603 HG LEU 80 HG LEU 80 -12.001 3.374 1.084 604 HD11 LEU 80 HD11 LEU 80 -9.762 3.011 0.174 605 HD12 LEU 80 HD12 LEU 80 -10.394 3.205 -1.458 606 HD13 LEU 80 HD13 LEU 80 -10.924 1.849 -0.463 607 HD21 LEU 80 HD21 LEU 80 -12.100 5.753 0.720 608 HD22 LEU 80 HD22 LEU 80 -11.202 5.601 -0.788 609 HD23 LEU 80 HD23 LEU 80 -10.410 5.252 0.747 610 H MET 81 HN MET 81 -16.399 3.158 -0.268 611 HA MET 81 HA MET 81 -17.084 3.501 -3.064 612 HB2 MET 81 HB2 MET 81 -18.467 2.037 -0.812 613 HB3 MET 81 HB1 MET 81 -19.094 2.111 -2.451 614 HG2 MET 81 HG2 MET 81 -16.480 0.882 -1.586 615 HG3 MET 81 HG1 MET 81 -17.941 0.024 -2.085 616 HE1 MET 81 HE1 MET 81 -18.166 1.058 -5.883 617 HE2 MET 81 HE2 MET 81 -18.848 1.980 -4.545 618 HE3 MET 81 HE3 MET 81 -18.966 0.222 -4.551 619 H GLU 82 HN GLU 82 -17.345 5.445 -0.491 620 HA GLU 82 HA GLU 82 -19.992 6.497 -1.207 621 HB2 GLU 82 HB2 GLU 82 -18.221 7.191 1.156 622 HB3 GLU 82 HB1 GLU 82 -19.858 7.769 0.893 623 HG2 GLU 82 HG2 GLU 82 -19.036 4.921 1.394 624 HG3 GLU 82 HG1 GLU 82 -19.798 6.006 2.548 625 H ALA 83 HN ALA 83 -20.139 8.954 -1.298 626 HA ALA 83 HA ALA 83 -18.326 10.016 -3.152 627 HB1 ALA 83 HB1 ALA 83 -19.399 12.174 -2.735 628 HB2 ALA 83 HB2 ALA 83 -20.161 11.520 -1.286 629 HB3 ALA 83 HB3 ALA 83 -20.594 10.885 -2.872 630 H ASP 84 HN ASP 84 -18.573 10.536 0.351 631 HA ASP 84 HA ASP 84 -16.369 12.270 0.607 632 HB2 ASP 84 HB2 ASP 84 -17.581 10.364 2.626 633 HB3 ASP 84 HB1 ASP 84 -16.382 11.590 3.017 634 H GLY 85 HN GLY 85 -16.529 8.943 -0.031 635 HA2 GLY 85 HA2 GLY 85 -14.039 8.216 1.223 636 HA3 GLY 85 HA1 GLY 85 -15.017 7.213 0.151 637 H ALA 86 HN ALA 86 -15.156 8.515 -2.159 638 HA ALA 86 HA ALA 86 -12.722 8.333 -3.412 639 HB1 ALA 86 HB1 ALA 86 -14.866 8.431 -4.587 640 HB2 ALA 86 HB2 ALA 86 -13.709 9.585 -5.248 641 HB3 ALA 86 HB3 ALA 86 -15.002 10.143 -4.187 642 H ALA 87 HN ALA 87 -14.223 11.221 -1.988 643 HA ALA 87 HA ALA 87 -12.239 13.073 -2.649 644 HB1 ALA 87 HB1 ALA 87 -13.111 14.413 -0.800 645 HB2 ALA 87 HB2 ALA 87 -13.983 13.010 -0.189 646 HB3 ALA 87 HB3 ALA 87 -14.419 13.707 -1.748 647 H ARG 88 HN ARG 88 -12.482 10.825 0.040 648 HA ARG 88 HA ARG 88 -10.262 11.768 1.536 649 HB2 ARG 88 HB2 ARG 88 -12.106 10.286 2.380 650 HB3 ARG 88 HB1 ARG 88 -11.436 8.978 1.423 651 HG2 ARG 88 HG2 ARG 88 -10.648 8.557 3.558 652 HG3 ARG 88 HG1 ARG 88 -9.287 9.356 2.773 653 HD2 ARG 88 HD2 ARG 88 -11.267 10.985 4.301 654 HD3 ARG 88 HD1 ARG 88 -10.052 10.061 5.176 655 HE ARG 88 HE ARG 88 -8.373 11.320 3.854 656 HH11 ARG 88 HH11 ARG 88 -11.594 12.652 4.235 657 HH12 ARG 88 HH12 ARG 88 -11.057 14.297 4.153 658 HH21 ARG 88 HH21 ARG 88 -7.669 13.513 3.799 659 HH22 ARG 88 HH22 ARG 88 -8.841 14.785 3.904 660 H PHE 89 HN PHE 89 -10.680 9.489 -1.084 661 HA PHE 89 HA PHE 89 -8.100 8.315 -0.938 662 HB2 PHE 89 HB2 PHE 89 -10.097 7.256 -2.019 663 HB3 PHE 89 HB1 PHE 89 -9.954 8.428 -3.326 664 HD1 PHE 89 HD2 PHE 89 -7.819 5.963 -1.506 665 HD2 PHE 89 HD1 PHE 89 -8.851 7.748 -5.231 666 HE1 PHE 89 HE2 PHE 89 -6.244 4.475 -2.652 667 HE2 PHE 89 HE1 PHE 89 -7.279 6.255 -6.383 668 HZ PHE 89 HZ PHE 89 -5.972 4.613 -5.095 669 H GLU 90 HN GLU 90 -9.472 10.957 -2.887 670 HA GLU 90 HA GLU 90 -7.251 11.414 -4.527 671 HB2 GLU 90 HB2 GLU 90 -9.280 13.380 -3.440 672 HB3 GLU 90 HB1 GLU 90 -8.116 13.762 -4.697 673 HG2 GLU 90 HG2 GLU 90 -9.135 11.994 -6.107 674 HG3 GLU 90 HG1 GLU 90 -10.362 11.764 -4.861 675 H ARG 91 HN ARG 91 -8.107 12.719 -1.368 676 HA ARG 91 HA ARG 91 -5.881 14.427 -1.084 677 HB2 ARG 91 HB2 ARG 91 -7.768 14.832 0.286 678 HB3 ARG 91 HB1 ARG 91 -7.807 13.173 0.861 679 HG2 ARG 91 HG2 ARG 91 -7.033 14.670 2.590 680 HG3 ARG 91 HG1 ARG 91 -5.757 13.552 2.118 681 HD2 ARG 91 HD2 ARG 91 -4.801 15.330 0.683 682 HD3 ARG 91 HD1 ARG 91 -6.029 16.440 1.295 683 HE ARG 91 HE ARG 91 -4.987 15.689 3.576 684 HH11 ARG 91 HH11 ARG 91 -3.305 16.428 0.589 685 HH12 ARG 91 HH12 ARG 91 -1.829 16.879 1.385 686 HH21 ARG 91 HH21 ARG 91 -3.057 16.288 4.619 687 HH22 ARG 91 HH22 ARG 91 -1.697 16.823 3.681 688 H TYR 92 HN TYR 92 -6.316 11.012 -0.579 689 HA TYR 92 HA TYR 92 -4.053 10.684 1.157 690 HB2 TYR 92 HB2 TYR 92 -6.024 9.123 1.101 691 HB3 TYR 92 HB1 TYR 92 -5.493 8.591 -0.490 692 HD1 TYR 92 HD1 TYR 92 -4.376 8.804 3.056 693 HD2 TYR 92 HD2 TYR 92 -3.964 6.837 -0.695 694 HE1 TYR 92 HE1 TYR 92 -2.910 7.129 4.101 695 HE2 TYR 92 HE2 TYR 92 -2.501 5.155 0.341 696 HH TYR 92 HH TYR 92 -2.171 4.813 3.697 697 H LEU 93 HN LEU 93 -4.701 10.404 -2.288 698 HA LEU 93 HA LEU 93 -2.237 9.267 -3.050 699 HB2 LEU 93 HB2 LEU 93 -4.037 11.102 -4.640 700 HB3 LEU 93 HB1 LEU 93 -2.758 10.104 -5.306 701 HG LEU 93 HG LEU 93 -5.266 9.077 -3.970 702 HD11 LEU 93 HD11 LEU 93 -4.448 9.142 -6.868 703 HD12 LEU 93 HD12 LEU 93 -5.727 10.099 -6.122 704 HD13 LEU 93 HD13 LEU 93 -5.881 8.345 -6.223 705 HD21 LEU 93 HD21 LEU 93 -2.987 7.632 -5.318 706 HD22 LEU 93 HD22 LEU 93 -4.519 6.888 -4.866 707 HD23 LEU 93 HD23 LEU 93 -3.451 7.530 -3.619 708 H ALA 94 HN ALA 94 -3.329 12.616 -2.798 709 HA ALA 94 HA ALA 94 -0.932 13.797 -3.708 710 HB1 ALA 94 HB1 ALA 94 -3.081 14.950 -1.938 711 HB2 ALA 94 HB2 ALA 94 -3.071 14.968 -3.702 712 HB3 ALA 94 HB3 ALA 94 -1.848 15.868 -2.804 713 H ALA 95 HN ALA 95 -1.733 12.326 -0.722 714 HA ALA 95 HA ALA 95 0.389 13.789 0.679 715 HB1 ALA 95 HB1 ALA 95 -1.794 13.731 1.779 716 HB2 ALA 95 HB2 ALA 95 -0.562 12.904 2.733 717 HB3 ALA 95 HB3 ALA 95 -1.733 11.970 1.802 718 H LEU 96 HN LEU 96 0.091 11.065 -1.119 719 HA LEU 96 HA LEU 96 1.190 8.999 0.327 720 HB2 LEU 96 HB2 LEU 96 1.474 9.699 -2.579 721 HB3 LEU 96 HB1 LEU 96 2.203 8.257 -1.903 722 HG LEU 96 HG LEU 96 -0.746 8.867 -1.798 723 HD11 LEU 96 HD11 LEU 96 0.772 7.034 -3.647 724 HD12 LEU 96 HD12 LEU 96 0.019 8.562 -4.101 725 HD13 LEU 96 HD13 LEU 96 -0.981 7.210 -3.568 726 HD21 LEU 96 HD21 LEU 96 -0.051 7.389 -0.018 727 HD22 LEU 96 HD22 LEU 96 0.835 6.380 -1.160 728 HD23 LEU 96 HD23 LEU 96 -0.924 6.466 -1.240 729 HA PRO 97 HA PRO 97 5.719 10.418 -0.827 730 HB2 PRO 97 HB2 PRO 97 5.988 13.144 -1.110 731 HB3 PRO 97 HB1 PRO 97 5.879 12.008 -2.457 732 HG2 PRO 97 HG2 PRO 97 3.737 13.700 -1.226 733 HG3 PRO 97 HG1 PRO 97 4.062 13.376 -2.941 734 HD2 PRO 97 HD2 PRO 97 2.094 12.114 -1.643 735 HD3 PRO 97 HD1 PRO 97 3.082 11.269 -2.853 736 H ARG 98 HN ARG 98 3.472 12.406 0.962 737 HA ARG 98 HA ARG 98 5.416 13.323 2.872 738 HB2 ARG 98 HB2 ARG 98 2.395 13.412 2.895 739 HB3 ARG 98 HB1 ARG 98 3.417 14.174 4.103 740 HG2 ARG 98 HG2 ARG 98 3.422 14.828 1.163 741 HG3 ARG 98 HG1 ARG 98 2.602 15.759 2.418 742 HD2 ARG 98 HD2 ARG 98 5.572 15.287 2.168 743 HD3 ARG 98 HD1 ARG 98 4.716 16.799 1.878 744 HE ARG 98 HE ARG 98 4.055 16.235 4.424 745 HH11 ARG 98 HH11 ARG 98 7.120 16.428 2.752 746 HH12 ARG 98 HH12 ARG 98 8.016 16.846 4.178 747 HH21 ARG 98 HH21 ARG 98 5.224 16.798 6.300 748 HH22 ARG 98 HH22 ARG 98 6.935 17.067 6.197 749 H LYS 99 HN LYS 99 2.910 10.855 2.776 750 HA LYS 99 HA LYS 99 3.283 10.059 5.508 751 HB2 LYS 99 HB2 LYS 99 1.189 9.776 3.956 752 HB3 LYS 99 HB1 LYS 99 2.007 8.312 3.430 753 HG2 LYS 99 HG2 LYS 99 1.972 7.406 5.632 754 HG3 LYS 99 HG1 LYS 99 1.392 8.930 6.306 755 HD2 LYS 99 HD2 LYS 99 -0.677 8.684 4.962 756 HD3 LYS 99 HD1 LYS 99 -0.100 7.107 4.422 757 HE2 LYS 99 HE2 LYS 99 -1.689 6.924 6.287 758 HE3 LYS 99 HE1 LYS 99 -0.098 6.290 6.702 759 HZ1 LYS 99 HZ1 LYS 99 -1.115 8.979 7.448 760 HZ2 LYS 99 HZ2 LYS 99 0.384 8.330 7.878 761 HZ3 LYS 99 HZ3 LYS 99 -1.037 7.643 8.480 762 H LEU 100 HN LEU 100 4.493 9.140 2.385 763 HA LEU 100 HA LEU 100 5.740 6.720 3.010 764 HB2 LEU 100 HB2 LEU 100 5.419 7.665 0.717 765 HB3 LEU 100 HB1 LEU 100 6.681 8.828 1.065 766 HG LEU 100 HG LEU 100 8.214 6.820 1.446 767 HD11 LEU 100 HD11 LEU 100 7.551 4.785 0.218 768 HD12 LEU 100 HD12 LEU 100 5.929 5.452 0.043 769 HD13 LEU 100 HD13 LEU 100 6.565 5.087 1.645 770 HD21 LEU 100 HD21 LEU 100 8.357 8.279 -0.502 771 HD22 LEU 100 HD22 LEU 100 7.108 7.334 -1.311 772 HD23 LEU 100 HD23 LEU 100 8.667 6.600 -0.941 773 H ALA 101 HN ALA 101 6.984 10.042 3.037 774 HA ALA 101 HA ALA 101 9.565 9.474 3.960 775 HB1 ALA 101 HB1 ALA 101 9.684 11.825 4.571 776 HB2 ALA 101 HB2 ALA 101 7.931 11.964 4.435 777 HB3 ALA 101 HB3 ALA 101 8.904 11.633 3.001 778 H ALA 102 HN ALA 102 6.533 9.930 5.642 779 HA ALA 102 HA ALA 102 7.589 10.124 8.262 780 HB1 ALA 102 HB1 ALA 102 4.855 9.217 7.369 781 HB2 ALA 102 HB2 ALA 102 5.337 10.879 7.706 782 HB3 ALA 102 HB3 ALA 102 5.302 9.690 9.009 783 H TRP 103 HN TRP 103 6.492 7.397 6.295 784 HA TRP 103 HA TRP 103 6.750 5.448 8.346 785 HB2 TRP 103 HB2 TRP 103 6.695 5.201 5.330 786 HB3 TRP 103 HB1 TRP 103 6.787 3.808 6.404 787 HD1 TRP 103 HD1 TRP 103 4.606 4.923 8.564 788 HE1 TRP 103 HE1 TRP 103 2.117 4.847 7.900 789 HE3 TRP 103 HE3 TRP 103 5.134 4.655 3.495 790 HZ2 TRP 103 HZ2 TRP 103 0.590 4.690 5.529 791 HZ3 TRP 103 HZ3 TRP 103 3.114 4.547 2.099 792 HH2 TRP 103 HH2 TRP 103 0.888 4.564 3.098 793 H GLU 104 HN GLU 104 8.919 6.570 5.779 794 HA GLU 104 HA GLU 104 10.964 4.705 6.106 795 HB2 GLU 104 HB2 GLU 104 11.185 7.615 5.318 796 HB3 GLU 104 HB1 GLU 104 12.474 6.438 5.149 797 HG2 GLU 104 HG2 GLU 104 10.987 5.129 3.629 798 HG3 GLU 104 HG1 GLU 104 9.835 6.467 3.704 799 H ASN 105 HN ASN 105 10.571 7.870 7.612 800 HA ASN 105 HA ASN 105 12.929 7.804 9.140 801 HB2 ASN 105 HB2 ASN 105 11.706 9.875 8.621 802 HB3 ASN 105 HB1 ASN 105 10.371 9.341 9.635 803 HD21 ASN 105 HD21 ASN 105 13.808 8.978 10.384 804 HD22 ASN 105 HD22 ASN 105 13.788 10.030 11.761 805 H ALA 106 HN ALA 106 9.711 6.572 9.790 806 HA ALA 106 HA ALA 106 10.255 6.306 12.626 807 HB1 ALA 106 HB1 ALA 106 8.035 7.003 11.822 808 HB2 ALA 106 HB2 ALA 106 7.972 5.555 12.823 809 HB3 ALA 106 HB3 ALA 106 7.833 5.421 11.072 810 H ARG 107 HN ARG 107 9.685 4.111 9.878 811 HA ARG 107 HA ARG 107 9.947 1.849 11.703 812 HB2 ARG 107 HB2 ARG 107 9.236 1.826 8.773 813 HB3 ARG 107 HB1 ARG 107 9.108 0.473 9.884 814 HG2 ARG 107 HG2 ARG 107 7.499 3.020 9.940 815 HG3 ARG 107 HG1 ARG 107 6.930 1.411 9.499 816 HD2 ARG 107 HD2 ARG 107 7.904 2.267 12.230 817 HD3 ARG 107 HD1 ARG 107 6.229 2.008 11.763 818 HE ARG 107 HE ARG 107 8.198 -0.185 11.693 819 HH11 ARG 107 HH11 ARG 107 5.113 1.136 12.704 820 HH12 ARG 107 HH12 ARG 107 4.593 -0.332 13.464 821 HH21 ARG 107 HH21 ARG 107 7.504 -2.122 12.692 822 HH22 ARG 107 HH22 ARG 107 5.947 -2.186 13.451 823 H GLY 108 HN GLY 108 12.050 3.606 9.848 824 HA2 GLY 108 HA2 GLY 108 14.308 3.202 9.490 825 HA3 GLY 108 HA1 GLY 108 14.084 1.592 10.164 826 H VAL 109 HN VAL 109 12.790 3.326 7.360 827 HA VAL 109 HA VAL 109 13.603 1.058 5.663 828 HB VAL 109 HB VAL 109 11.007 2.610 5.471 829 HG11 VAL 109 HG11 VAL 109 11.847 1.962 3.273 830 HG12 VAL 109 HG12 VAL 109 10.388 1.069 3.699 831 HG13 VAL 109 HG13 VAL 109 11.964 0.287 3.811 832 HG21 VAL 109 HG21 VAL 109 11.489 -0.258 6.257 833 HG22 VAL 109 HG22 VAL 109 9.912 0.498 6.040 834 HG23 VAL 109 HG23 VAL 109 10.980 1.043 7.331 835 H ASP 110 HN ASP 110 14.422 1.648 3.610 836 HA ASP 110 HA ASP 110 14.371 4.506 2.973 837 HB2 ASP 110 HB2 ASP 110 16.521 4.022 4.151 838 HB3 ASP 110 HB1 ASP 110 16.920 2.879 2.862 839 H PHE 111 HN PHE 111 13.329 4.549 1.128 840 HA PHE 111 HA PHE 111 13.317 2.326 -0.675 841 HB2 PHE 111 HB2 PHE 111 12.099 5.081 -0.812 842 HB3 PHE 111 HB1 PHE 111 11.899 3.880 -2.084 843 HD1 PHE 111 HD2 PHE 111 11.199 4.632 1.455 844 HD2 PHE 111 HD1 PHE 111 10.372 2.080 -1.848 845 HE1 PHE 111 HE2 PHE 111 9.296 3.672 2.673 846 HE2 PHE 111 HE1 PHE 111 8.465 1.118 -0.634 847 HZ PHE 111 HZ PHE 111 7.970 1.845 1.652 848 H GLY 112 HN GLY 112 15.494 4.824 -0.257 849 HA2 GLY 112 HA2 GLY 112 16.187 5.104 -3.057 850 HA3 GLY 112 HA1 GLY 112 17.041 5.812 -1.694 851 H SER 113 HN SER 113 17.324 3.332 -0.252 852 HA SER 113 HA SER 113 19.600 2.295 -1.736 853 HB2 SER 113 HB2 SER 113 18.760 1.691 1.107 854 HB3 SER 113 HB1 SER 113 20.339 1.394 0.378 855 HG SER 113 HG SER 113 19.119 3.927 0.850 856 H ARG 114 HN ARG 114 16.384 1.487 -1.257 857 HA ARG 114 HA ARG 114 15.122 -0.313 -1.856 858 HB2 ARG 114 HB2 ARG 114 17.727 -1.445 -2.903 859 HB3 ARG 114 HB1 ARG 114 16.134 -2.138 -3.189 860 HG2 ARG 114 HG2 ARG 114 15.466 -0.184 -4.439 861 HG3 ARG 114 HG1 ARG 114 17.004 0.605 -4.077 862 HD2 ARG 114 HD2 ARG 114 16.639 -1.942 -5.657 863 HD3 ARG 114 HD1 ARG 114 16.998 -0.353 -6.330 864 HE ARG 114 HE ARG 114 18.977 -0.987 -4.447 865 HH11 ARG 114 HH11 ARG 114 17.858 -2.066 -7.580 866 HH12 ARG 114 HH12 ARG 114 19.421 -2.612 -8.091 867 HH21 ARG 114 HH21 ARG 114 21.042 -1.707 -5.117 868 HH22 ARG 114 HH22 ARG 114 21.231 -2.410 -6.692 869 H THR 115 HN THR 115 16.954 -0.129 0.618 870 HA THR 115 HA THR 115 16.487 -2.873 1.539 871 HB THR 115 HB THR 115 18.554 -2.601 2.961 872 HG1 THR 115 HG1 THR 115 20.070 -0.999 2.046 873 HG21 THR 115 HG21 THR 115 18.608 -3.979 0.951 874 HG22 THR 115 HG22 THR 115 20.134 -3.118 1.145 875 HG23 THR 115 HG23 THR 115 18.949 -2.556 -0.034 876 H GLN 116 HN GLN 116 16.714 -2.868 4.059 877 HA GLN 116 HA GLN 116 15.759 -0.372 5.217 878 HB2 GLN 116 HB2 GLN 116 13.951 -1.593 6.434 879 HB3 GLN 116 HB1 GLN 116 13.701 -1.500 4.698 880 HG2 GLN 116 HG2 GLN 116 14.456 -3.793 4.442 881 HG3 GLN 116 HG1 GLN 116 14.773 -3.897 6.172 882 HE21 GLN 116 HE21 GLN 116 12.392 -2.361 6.866 883 HE22 GLN 116 HE22 GLN 116 11.055 -3.422 6.627 884 H ALA 117 HN ALA 117 16.196 -0.132 7.392 885 HA ALA 117 HA ALA 117 18.327 -1.798 8.401 886 HB1 ALA 117 HB1 ALA 117 18.450 -0.188 10.225 887 HB2 ALA 117 HB2 ALA 117 16.962 0.573 9.669 888 HB3 ALA 117 HB3 ALA 117 18.412 0.641 8.669 889 H ASP 118 HN ASP 118 14.956 -1.673 8.617 890 HA ASP 118 HA ASP 118 14.804 -3.143 11.118 891 HB2 ASP 118 HB2 ASP 118 13.051 -1.439 10.254 892 HB3 ASP 118 HB1 ASP 118 12.534 -2.730 9.171 893 H ALA 119 HN ALA 119 13.419 -5.234 11.018 894 HA ALA 119 HA ALA 119 14.690 -7.004 9.129 895 HB1 ALA 119 HB1 ALA 119 14.342 -7.726 11.438 896 HB2 ALA 119 HB2 ALA 119 13.495 -8.787 10.311 897 HB3 ALA 119 HB3 ALA 119 12.598 -7.578 11.227 898 H LEU 120 HN LEU 120 11.460 -5.677 9.677 899 HA LEU 120 HA LEU 120 10.616 -6.142 7.018 900 HB2 LEU 120 HB2 LEU 120 10.504 -8.465 7.886 901 HB3 LEU 120 HB1 LEU 120 9.426 -7.925 9.153 902 HG LEU 120 HG LEU 120 7.754 -7.309 7.440 903 HD11 LEU 120 HD11 LEU 120 9.774 -8.504 5.564 904 HD12 LEU 120 HD12 LEU 120 9.145 -6.857 5.558 905 HD13 LEU 120 HD13 LEU 120 8.088 -8.205 5.151 906 HD21 LEU 120 HD21 LEU 120 7.631 -9.473 8.523 907 HD22 LEU 120 HD22 LEU 120 8.737 -10.153 7.329 908 HD23 LEU 120 HD23 LEU 120 7.136 -9.602 6.836 909 H VAL 121 HN VAL 121 8.900 -4.749 6.602 910 HA VAL 121 HA VAL 121 7.654 -3.591 9.003 911 HB VAL 121 HB VAL 121 9.009 -1.916 7.956 912 HG11 VAL 121 HG11 VAL 121 9.176 -2.832 5.719 913 HG12 VAL 121 HG12 VAL 121 8.660 -1.148 5.666 914 HG13 VAL 121 HG13 VAL 121 7.486 -2.438 5.414 915 HG21 VAL 121 HG21 VAL 121 7.336 -0.188 7.475 916 HG22 VAL 121 HG22 VAL 121 6.916 -1.147 8.894 917 HG23 VAL 121 HG23 VAL 121 6.097 -1.437 7.359 918 H LEU 122 HN LEU 122 5.868 -4.778 9.199 919 HA LEU 122 HA LEU 122 3.985 -4.875 6.945 920 HB2 LEU 122 HB2 LEU 122 3.836 -6.319 9.595 921 HB3 LEU 122 HB1 LEU 122 2.810 -6.591 8.201 922 HG LEU 122 HG LEU 122 5.760 -7.216 8.389 923 HD11 LEU 122 HD11 LEU 122 5.033 -9.539 8.216 924 HD12 LEU 122 HD12 LEU 122 3.349 -9.016 8.224 925 HD13 LEU 122 HD13 LEU 122 4.360 -8.760 9.647 926 HD21 LEU 122 HD21 LEU 122 3.828 -7.631 6.114 927 HD22 LEU 122 HD22 LEU 122 5.472 -8.262 6.193 928 HD23 LEU 122 HD23 LEU 122 5.200 -6.522 6.138 929 H LEU 123 HN LEU 123 2.852 -3.027 6.921 930 HA LEU 123 HA LEU 123 2.092 -1.759 9.425 931 HB2 LEU 123 HB2 LEU 123 1.693 -0.847 6.577 932 HB3 LEU 123 HB1 LEU 123 1.354 0.106 8.008 933 HG LEU 123 HG LEU 123 4.069 -0.828 7.094 934 HD11 LEU 123 HD11 LEU 123 4.504 1.531 6.721 935 HD12 LEU 123 HD12 LEU 123 2.859 1.924 7.221 936 HD13 LEU 123 HD13 LEU 123 3.133 0.986 5.753 937 HD21 LEU 123 HD21 LEU 123 4.923 0.586 8.926 938 HD22 LEU 123 HD22 LEU 123 4.006 -0.800 9.509 939 HD23 LEU 123 HD23 LEU 123 3.272 0.804 9.501 940 H GLY 124 HN GLY 124 0.340 -2.508 10.374 941 HA2 GLY 124 HA2 GLY 124 -2.036 -3.070 8.720 942 HA3 GLY 124 HA1 GLY 124 -1.744 -3.742 10.317 943 H GLY 125 HN GLY 125 -4.142 -2.448 9.610 944 HA2 GLY 125 HA2 GLY 125 -5.608 -0.977 10.574 945 HA3 GLY 125 HA1 GLY 125 -4.383 -0.682 11.797 946 H LEU 126 HN LEU 126 -3.829 -0.053 8.384 947 HA LEU 126 HA LEU 126 -3.303 2.704 8.960 948 HB2 LEU 126 HB2 LEU 126 -3.045 0.950 6.594 949 HB3 LEU 126 HB1 LEU 126 -3.269 2.662 6.274 950 HG LEU 126 HG LEU 126 -1.285 3.193 7.597 951 HD11 LEU 126 HD11 LEU 126 -0.894 0.222 7.894 952 HD12 LEU 126 HD12 LEU 126 -1.495 1.280 9.170 953 HD13 LEU 126 HD13 LEU 126 0.130 1.511 8.530 954 HD21 LEU 126 HD21 LEU 126 0.387 2.216 6.104 955 HD22 LEU 126 HD22 LEU 126 -1.033 2.762 5.215 956 HD23 LEU 126 HD23 LEU 126 -0.802 1.044 5.537 957 H ASP 127 HN ASP 127 -4.300 4.513 8.068 958 HA ASP 127 HA ASP 127 -7.083 4.134 7.178 959 HB2 ASP 127 HB2 ASP 127 -6.041 6.291 9.049 960 HB3 ASP 127 HB1 ASP 127 -7.684 6.202 8.416 961 H PHE 128 HN PHE 128 -7.894 6.111 5.993 962 HA PHE 128 HA PHE 128 -5.734 7.125 4.293 963 HB2 PHE 128 HB2 PHE 128 -8.738 7.143 3.959 964 HB3 PHE 128 HB1 PHE 128 -7.630 7.937 2.843 965 HD1 PHE 128 HD2 PHE 128 -8.593 4.650 4.251 966 HD2 PHE 128 HD1 PHE 128 -6.517 6.727 1.181 967 HE1 PHE 128 HE2 PHE 128 -8.320 2.538 3.017 968 HE2 PHE 128 HE1 PHE 128 -6.234 4.622 -0.063 969 HZ PHE 128 HZ PHE 128 -7.136 2.499 0.891 970 H GLU 129 HN GLU 129 -6.192 8.034 7.004 971 HA GLU 129 HA GLU 129 -7.248 10.694 6.888 972 HB2 GLU 129 HB2 GLU 129 -7.306 9.428 8.979 973 HB3 GLU 129 HB1 GLU 129 -5.554 9.307 8.978 974 HG2 GLU 129 HG2 GLU 129 -5.408 11.753 9.186 975 HG3 GLU 129 HG1 GLU 129 -7.168 11.829 9.261 976 H ALA 130 HN ALA 130 -6.238 12.163 5.720 977 HA ALA 130 HA ALA 130 -3.367 12.551 6.061 978 HB1 ALA 130 HB1 ALA 130 -3.054 12.790 3.630 979 HB2 ALA 130 HB2 ALA 130 -4.720 12.270 3.379 980 HB3 ALA 130 HB3 ALA 130 -3.547 11.158 4.081 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -23.986 -14.700 11.562 2 H2 GLY 1 HT2 GLY 1 -25.071 -13.407 11.651 3 H3 GLY 1 HT3 GLY 1 -24.624 -14.233 13.055 4 HA2 GLY 1 HA1 GLY 1 -23.488 -12.109 12.911 5 HA3 GLY 1 HA2 GLY 1 -22.362 -13.459 12.852 6 H ALA 2 HN ALA 2 -21.222 -11.380 11.951 7 HA ALA 2 HA ALA 2 -20.144 -10.407 10.215 8 HB1 ALA 2 HB1 ALA 2 -21.033 -12.872 8.717 9 HB2 ALA 2 HB2 ALA 2 -19.560 -12.716 9.675 10 HB3 ALA 2 HB3 ALA 2 -19.766 -11.753 8.211 11 H MET 3 HN MET 3 -22.681 -9.429 10.667 12 HA MET 3 HA MET 3 -24.114 -9.244 8.174 13 HB2 MET 3 HB2 MET 3 -24.439 -7.703 10.764 14 HB3 MET 3 HB1 MET 3 -25.529 -7.589 9.388 15 HG2 MET 3 HG2 MET 3 -25.015 -10.009 11.106 16 HG3 MET 3 HG1 MET 3 -26.486 -9.040 11.039 17 HE1 MET 3 HE1 MET 3 -26.748 -8.516 7.896 18 HE2 MET 3 HE2 MET 3 -28.110 -8.962 8.921 19 HE3 MET 3 HE3 MET 3 -27.805 -9.847 7.428 20 H GLY 4 HN GLY 4 -21.746 -7.371 9.926 21 HA2 GLY 4 HA2 GLY 4 -21.863 -5.181 8.019 22 HA3 GLY 4 HA1 GLY 4 -20.756 -5.324 9.378 23 H MET 5 HN MET 5 -21.469 -7.417 6.624 24 HA MET 5 HA MET 5 -18.724 -7.196 5.672 25 HB2 MET 5 HB2 MET 5 -18.599 -9.003 7.281 26 HB3 MET 5 HB1 MET 5 -20.022 -9.769 6.594 27 HG2 MET 5 HG2 MET 5 -18.766 -10.161 4.509 28 HG3 MET 5 HG1 MET 5 -17.332 -9.472 5.272 29 HE1 MET 5 HE1 MET 5 -16.130 -10.514 7.358 30 HE2 MET 5 HE2 MET 5 -16.615 -12.016 8.145 31 HE3 MET 5 HE3 MET 5 -17.631 -10.582 8.282 32 H SER 6 HN SER 6 -18.815 -6.972 3.525 33 HA SER 6 HA SER 6 -20.882 -8.423 2.046 34 HB2 SER 6 HB2 SER 6 -21.662 -6.086 2.349 35 HB3 SER 6 HB1 SER 6 -20.181 -5.508 1.587 36 HG SER 6 HG SER 6 -21.327 -5.653 -0.177 37 HA PRO 7 HA PRO 7 -17.253 -9.540 -0.263 38 HB2 PRO 7 HB2 PRO 7 -18.511 -10.868 -2.273 39 HB3 PRO 7 HB1 PRO 7 -18.266 -11.558 -0.666 40 HG2 PRO 7 HG2 PRO 7 -20.701 -10.264 -1.826 41 HG3 PRO 7 HG1 PRO 7 -20.576 -11.722 -0.823 42 HD2 PRO 7 HD2 PRO 7 -21.315 -9.316 0.179 43 HD3 PRO 7 HD1 PRO 7 -20.414 -10.509 1.135 44 H ASP 8 HN ASP 8 -19.825 -7.562 -1.366 45 HA ASP 8 HA ASP 8 -18.711 -6.987 -3.959 46 HB2 ASP 8 HB2 ASP 8 -20.607 -5.784 -4.334 47 HB3 ASP 8 HB1 ASP 8 -21.192 -6.623 -2.904 48 H THR 9 HN THR 9 -18.475 -5.748 -0.735 49 HA THR 9 HA THR 9 -17.173 -3.313 -1.291 50 HB THR 9 HB THR 9 -16.935 -5.043 1.180 51 HG1 THR 9 HG1 THR 9 -18.928 -3.256 0.267 52 HG21 THR 9 HG21 THR 9 -16.576 -2.069 0.790 53 HG22 THR 9 HG22 THR 9 -15.286 -3.239 1.065 54 HG23 THR 9 HG23 THR 9 -16.479 -2.928 2.328 55 H ALA 10 HN ALA 10 -15.948 -6.512 -0.343 56 HA ALA 10 HA ALA 10 -13.226 -5.909 -0.431 57 HB1 ALA 10 HB1 ALA 10 -14.137 -7.910 0.638 58 HB2 ALA 10 HB2 ALA 10 -12.866 -8.313 -0.516 59 HB3 ALA 10 HB3 ALA 10 -14.558 -8.563 -0.945 60 H ARG 11 HN ARG 11 -15.374 -7.200 -2.941 61 HA ARG 11 HA ARG 11 -13.326 -7.618 -4.854 62 HB2 ARG 11 HB2 ARG 11 -15.571 -8.714 -4.900 63 HB3 ARG 11 HB1 ARG 11 -16.267 -7.176 -5.389 64 HG2 ARG 11 HG2 ARG 11 -14.861 -7.213 -7.411 65 HG3 ARG 11 HG1 ARG 11 -14.235 -8.788 -6.922 66 HD2 ARG 11 HD2 ARG 11 -16.586 -9.639 -6.946 67 HD3 ARG 11 HD1 ARG 11 -17.082 -8.091 -7.629 68 HE ARG 11 HE ARG 11 -14.977 -9.351 -9.113 69 HH11 ARG 11 HH11 ARG 11 -18.445 -9.223 -8.665 70 HH12 ARG 11 HH12 ARG 11 -18.798 -9.840 -10.245 71 HH21 ARG 11 HH21 ARG 11 -15.440 -10.152 -11.196 72 HH22 ARG 11 HH22 ARG 11 -17.090 -10.364 -11.685 73 H ARG 12 HN ARG 12 -15.364 -4.884 -4.061 74 HA ARG 12 HA ARG 12 -14.884 -3.340 -6.370 75 HB2 ARG 12 HB2 ARG 12 -16.677 -2.967 -4.615 76 HB3 ARG 12 HB1 ARG 12 -15.422 -2.273 -3.600 77 HG2 ARG 12 HG2 ARG 12 -14.987 -0.580 -5.338 78 HG3 ARG 12 HG1 ARG 12 -16.320 -1.247 -6.282 79 HD2 ARG 12 HD2 ARG 12 -16.472 0.031 -3.558 80 HD3 ARG 12 HD1 ARG 12 -17.108 0.670 -5.070 81 HE ARG 12 HE ARG 12 -18.145 -1.877 -4.047 82 HH11 ARG 12 HH11 ARG 12 -18.647 1.496 -4.834 83 HH12 ARG 12 HH12 ARG 12 -20.368 1.417 -4.638 84 HH21 ARG 12 HH21 ARG 12 -20.409 -1.999 -3.783 85 HH22 ARG 12 HH22 ARG 12 -21.371 -0.571 -4.051 86 H PHE 13 HN PHE 13 -13.337 -3.327 -3.164 87 HA PHE 13 HA PHE 13 -11.449 -1.319 -3.772 88 HB2 PHE 13 HB2 PHE 13 -11.989 -1.994 -1.464 89 HB3 PHE 13 HB1 PHE 13 -11.253 -3.563 -1.745 90 HD1 PHE 13 HD1 PHE 13 -10.539 0.062 -1.516 91 HD2 PHE 13 HD2 PHE 13 -8.940 -3.880 -1.483 92 HE1 PHE 13 HE1 PHE 13 -8.369 0.952 -0.778 93 HE2 PHE 13 HE2 PHE 13 -6.767 -2.998 -0.744 94 HZ PHE 13 HZ PHE 13 -6.479 -0.578 -0.391 95 H ASP 14 HN ASP 14 -11.390 -4.810 -4.005 96 HA ASP 14 HA ASP 14 -8.772 -5.325 -4.678 97 HB2 ASP 14 HB2 ASP 14 -10.405 -7.065 -4.217 98 HB3 ASP 14 HB1 ASP 14 -11.308 -6.638 -5.662 99 H THR 15 HN THR 15 -11.390 -4.241 -6.785 100 HA THR 15 HA THR 15 -9.598 -4.499 -9.089 101 HB THR 15 HB THR 15 -11.716 -4.195 -10.432 102 HG1 THR 15 HG1 THR 15 -13.064 -4.878 -8.028 103 HG21 THR 15 HG21 THR 15 -10.673 -6.381 -10.063 104 HG22 THR 15 HG22 THR 15 -12.430 -6.506 -10.098 105 HG23 THR 15 HG23 THR 15 -11.575 -6.556 -8.557 106 H GLU 16 HN GLU 16 -11.583 -2.110 -7.400 107 HA GLU 16 HA GLU 16 -11.113 -0.186 -9.525 108 HB2 GLU 16 HB2 GLU 16 -13.345 -0.538 -8.342 109 HB3 GLU 16 HB1 GLU 16 -12.633 0.315 -6.978 110 HG2 GLU 16 HG2 GLU 16 -13.936 1.839 -8.314 111 HG3 GLU 16 HG1 GLU 16 -12.222 2.255 -8.426 112 H PHE 17 HN PHE 17 -10.254 -0.559 -6.093 113 HA PHE 17 HA PHE 17 -8.961 2.066 -6.224 114 HB2 PHE 17 HB2 PHE 17 -9.739 0.368 -3.853 115 HB3 PHE 17 HB1 PHE 17 -8.847 1.879 -3.727 116 HD1 PHE 17 HD2 PHE 17 -12.089 0.386 -4.715 117 HD2 PHE 17 HD1 PHE 17 -9.943 3.977 -3.896 118 HE1 PHE 17 HE2 PHE 17 -14.203 1.644 -4.689 119 HE2 PHE 17 HE1 PHE 17 -12.056 5.234 -3.871 120 HZ PHE 17 HZ PHE 17 -14.186 4.069 -4.266 121 H ALA 18 HN ALA 18 -8.206 -1.281 -5.255 122 HA ALA 18 HA ALA 18 -5.663 -0.818 -4.265 123 HB1 ALA 18 HB1 ALA 18 -5.234 -3.165 -4.515 124 HB2 ALA 18 HB2 ALA 18 -6.535 -3.320 -5.693 125 HB3 ALA 18 HB3 ALA 18 -6.908 -2.930 -4.015 126 HA PRO 19 HA PRO 19 -3.812 -1.692 -8.742 127 HB2 PRO 19 HB2 PRO 19 -6.056 -0.553 -10.338 128 HB3 PRO 19 HB1 PRO 19 -4.982 -1.910 -10.712 129 HG2 PRO 19 HG2 PRO 19 -7.469 -2.378 -9.967 130 HG3 PRO 19 HG1 PRO 19 -6.149 -3.377 -9.326 131 HD2 PRO 19 HD2 PRO 19 -7.612 -1.107 -8.017 132 HD3 PRO 19 HD1 PRO 19 -7.142 -2.680 -7.340 133 H ARG 20 HN ARG 20 -5.903 0.993 -7.913 134 HA ARG 20 HA ARG 20 -4.472 2.986 -9.369 135 HB2 ARG 20 HB2 ARG 20 -6.491 3.084 -7.138 136 HB3 ARG 20 HB1 ARG 20 -5.692 4.544 -7.704 137 HG2 ARG 20 HG2 ARG 20 -7.081 2.742 -9.640 138 HG3 ARG 20 HG1 ARG 20 -7.996 3.899 -8.673 139 HD2 ARG 20 HD2 ARG 20 -5.608 4.702 -10.312 140 HD3 ARG 20 HD1 ARG 20 -7.239 4.665 -10.979 141 HE ARG 20 HE ARG 20 -7.745 6.229 -8.996 142 HH11 ARG 20 HH11 ARG 20 -4.696 6.172 -10.714 143 HH12 ARG 20 HH12 ARG 20 -4.402 7.869 -10.502 144 HH21 ARG 20 HH21 ARG 20 -7.355 8.460 -8.717 145 HH22 ARG 20 HH22 ARG 20 -5.907 9.165 -9.368 146 H ILE 21 HN ILE 21 -4.325 1.683 -6.120 147 HA ILE 21 HA ILE 21 -2.515 3.607 -5.074 148 HB ILE 21 HB ILE 21 -2.881 0.761 -4.125 149 HG12 ILE 21 HG12 ILE 21 -4.384 3.229 -3.225 150 HG13 ILE 21 HG11 ILE 21 -5.045 2.009 -4.309 151 HG21 ILE 21 HG21 ILE 21 -0.932 1.967 -3.218 152 HG22 ILE 21 HG22 ILE 21 -2.133 1.613 -1.978 153 HG23 ILE 21 HG23 ILE 21 -2.007 3.240 -2.641 154 HD11 ILE 21 HD11 ILE 21 -4.234 1.623 -1.434 155 HD12 ILE 21 HD12 ILE 21 -4.755 0.328 -2.511 156 HD13 ILE 21 HD13 ILE 21 -5.871 1.627 -2.092 157 H ALA 22 HN ALA 22 -2.140 0.355 -6.407 158 HA ALA 22 HA ALA 22 0.605 0.081 -5.910 159 HB1 ALA 22 HB1 ALA 22 -0.892 -1.794 -6.412 160 HB2 ALA 22 HB2 ALA 22 0.534 -1.784 -7.452 161 HB3 ALA 22 HB3 ALA 22 -1.018 -1.231 -8.079 162 H ARG 23 HN ARG 23 -1.102 1.237 -8.804 163 HA ARG 23 HA ARG 23 1.275 1.497 -10.348 164 HB2 ARG 23 HB2 ARG 23 -1.067 1.276 -11.271 165 HB3 ARG 23 HB1 ARG 23 -1.333 2.950 -10.803 166 HG2 ARG 23 HG2 ARG 23 0.532 3.631 -12.260 167 HG3 ARG 23 HG1 ARG 23 0.718 1.952 -12.770 168 HD2 ARG 23 HD2 ARG 23 -0.562 3.100 -14.432 169 HD3 ARG 23 HD1 ARG 23 -1.639 2.004 -13.567 170 HE ARG 23 HE ARG 23 -1.527 4.794 -12.698 171 HH11 ARG 23 HH11 ARG 23 -3.259 2.251 -14.367 172 HH12 ARG 23 HH12 ARG 23 -4.781 3.081 -14.329 173 HH21 ARG 23 HH21 ARG 23 -3.520 5.915 -12.685 174 HH22 ARG 23 HH22 ARG 23 -4.925 5.178 -13.386 175 H ALA 24 HN ALA 24 -0.512 3.631 -8.219 176 HA ALA 24 HA ALA 24 0.784 6.038 -8.950 177 HB1 ALA 24 HB1 ALA 24 -0.101 6.942 -6.875 178 HB2 ALA 24 HB2 ALA 24 -0.484 5.316 -6.311 179 HB3 ALA 24 HB3 ALA 24 -1.331 5.989 -7.704 180 H ILE 25 HN ILE 25 1.374 3.696 -6.355 181 HA ILE 25 HA ILE 25 3.638 4.975 -5.274 182 HB ILE 25 HB ILE 25 2.903 2.041 -5.224 183 HG12 ILE 25 HG12 ILE 25 2.413 4.242 -3.198 184 HG13 ILE 25 HG11 ILE 25 1.189 3.520 -4.236 185 HG21 ILE 25 HG21 ILE 25 4.847 3.588 -3.510 186 HG22 ILE 25 HG22 ILE 25 5.261 2.375 -4.720 187 HG23 ILE 25 HG23 ILE 25 4.377 1.905 -3.267 188 HD11 ILE 25 HD11 ILE 25 2.767 2.064 -2.128 189 HD12 ILE 25 HD12 ILE 25 1.488 1.381 -3.134 190 HD13 ILE 25 HD13 ILE 25 1.109 2.642 -1.961 191 H ALA 26 HN ALA 26 3.251 2.532 -7.792 192 HA ALA 26 HA ALA 26 5.938 1.889 -8.189 193 HB1 ALA 26 HB1 ALA 26 3.705 1.925 -10.216 194 HB2 ALA 26 HB2 ALA 26 4.120 0.583 -9.148 195 HB3 ALA 26 HB3 ALA 26 5.251 1.097 -10.402 196 H ASP 27 HN ASP 27 3.944 4.413 -9.662 197 HA ASP 27 HA ASP 27 5.968 5.418 -11.375 198 HB2 ASP 27 HB2 ASP 27 3.705 5.948 -11.915 199 HB3 ASP 27 HB1 ASP 27 3.405 6.611 -10.314 200 H LEU 28 HN LEU 28 5.035 6.080 -8.074 201 HA LEU 28 HA LEU 28 6.477 8.502 -7.766 202 HB2 LEU 28 HB2 LEU 28 4.650 7.891 -6.270 203 HB3 LEU 28 HB1 LEU 28 5.528 6.472 -5.739 204 HG LEU 28 HG LEU 28 7.254 7.956 -4.738 205 HD11 LEU 28 HD11 LEU 28 6.693 10.328 -4.410 206 HD12 LEU 28 HD12 LEU 28 5.312 10.136 -5.489 207 HD13 LEU 28 HD13 LEU 28 6.951 9.927 -6.106 208 HD21 LEU 28 HD21 LEU 28 4.430 8.422 -3.780 209 HD22 LEU 28 HD22 LEU 28 5.898 8.634 -2.824 210 HD23 LEU 28 HD23 LEU 28 5.437 7.027 -3.388 211 H LEU 29 HN LEU 29 7.267 5.109 -7.368 212 HA LEU 29 HA LEU 29 9.937 5.784 -6.388 213 HB2 LEU 29 HB2 LEU 29 8.644 3.079 -6.780 214 HB3 LEU 29 HB1 LEU 29 10.179 3.383 -5.987 215 HG LEU 29 HG LEU 29 7.475 4.288 -4.998 216 HD11 LEU 29 HD11 LEU 29 7.821 2.664 -3.214 217 HD12 LEU 29 HD12 LEU 29 9.337 2.157 -3.958 218 HD13 LEU 29 HD13 LEU 29 7.807 1.880 -4.793 219 HD21 LEU 29 HD21 LEU 29 10.229 4.602 -3.812 220 HD22 LEU 29 HD22 LEU 29 8.726 4.891 -2.939 221 HD23 LEU 29 HD23 LEU 29 9.139 5.888 -4.332 222 H ASN 30 HN ASN 30 8.683 5.950 -9.228 223 HA ASN 30 HA ASN 30 9.360 5.775 -11.380 224 HB2 ASN 30 HB2 ASN 30 12.059 5.745 -10.017 225 HB3 ASN 30 HB1 ASN 30 11.837 5.933 -11.752 226 HD21 ASN 30 HD21 ASN 30 11.014 7.851 -12.556 227 HD22 ASN 30 HD22 ASN 30 10.894 9.284 -11.595 228 H HIS 31 HN HIS 31 8.651 3.321 -10.120 229 HA HIS 31 HA HIS 31 8.680 1.076 -10.439 230 HB2 HIS 31 HB2 HIS 31 9.776 2.062 -13.056 231 HB3 HIS 31 HB1 HIS 31 9.609 0.339 -12.748 232 HD1 HIS 31 HD1 HIS 31 7.855 3.002 -14.264 233 HD2 HIS 31 HD2 HIS 31 6.725 -0.189 -11.852 234 HE1 HIS 31 HE1 HIS 31 5.396 2.682 -14.674 235 HE2 HIS 31 HE2 HIS 31 4.775 0.646 -13.332 236 H ARG 32 HN ARG 32 11.111 2.369 -9.196 237 HA ARG 32 HA ARG 32 13.201 0.477 -9.886 238 HB2 ARG 32 HB2 ARG 32 13.071 2.629 -7.764 239 HB3 ARG 32 HB1 ARG 32 14.478 1.614 -8.054 240 HG2 ARG 32 HG2 ARG 32 13.243 3.541 -10.012 241 HG3 ARG 32 HG1 ARG 32 14.740 3.782 -9.107 242 HD2 ARG 32 HD2 ARG 32 14.239 1.599 -11.130 243 HD3 ARG 32 HD1 ARG 32 15.157 3.072 -11.421 244 HE ARG 32 HE ARG 32 16.595 2.164 -9.478 245 HH11 ARG 32 HH11 ARG 32 15.015 0.185 -11.906 246 HH12 ARG 32 HH12 ARG 32 16.233 -1.045 -11.874 247 HH21 ARG 32 HH21 ARG 32 18.190 0.538 -9.427 248 HH22 ARG 32 HH22 ARG 32 18.035 -0.854 -10.458 249 H ALA 33 HN ALA 33 10.587 0.733 -7.751 250 HA ALA 33 HA ALA 33 11.407 -1.788 -6.478 251 HB1 ALA 33 HB1 ALA 33 9.666 0.376 -5.289 252 HB2 ALA 33 HB2 ALA 33 11.326 0.014 -4.817 253 HB3 ALA 33 HB3 ALA 33 10.049 -1.171 -4.535 254 H HIS 34 HN HIS 34 9.851 -3.405 -6.444 255 HA HIS 34 HA HIS 34 7.787 -3.051 -8.469 256 HB2 HIS 34 HB2 HIS 34 9.218 -5.016 -8.695 257 HB3 HIS 34 HB1 HIS 34 8.816 -5.533 -7.061 258 HD1 HIS 34 HD1 HIS 34 7.236 -5.171 -10.482 259 HD2 HIS 34 HD2 HIS 34 6.536 -7.055 -6.842 260 HE1 HIS 34 HE1 HIS 34 5.273 -6.693 -10.875 261 HE2 HIS 34 HE2 HIS 34 4.943 -7.910 -8.694 262 H THR 35 HN THR 35 5.744 -2.694 -7.979 263 HA THR 35 HA THR 35 4.814 -3.381 -5.274 264 HB THR 35 HB THR 35 3.023 -1.693 -5.662 265 HG1 THR 35 HG1 THR 35 3.186 -0.331 -7.460 266 HG21 THR 35 HG21 THR 35 4.412 0.239 -5.294 267 HG22 THR 35 HG22 THR 35 5.791 -0.561 -6.050 268 HG23 THR 35 HG23 THR 35 5.169 -1.150 -4.511 269 H ASP 36 HN ASP 36 2.989 -4.637 -5.047 270 HA ASP 36 HA ASP 36 1.668 -5.517 -7.504 271 HB2 ASP 36 HB2 ASP 36 3.542 -7.107 -7.004 272 HB3 ASP 36 HB1 ASP 36 2.758 -7.474 -5.470 273 H VAL 37 HN VAL 37 -0.432 -5.825 -7.294 274 HA VAL 37 HA VAL 37 -1.670 -5.360 -4.723 275 HB VAL 37 HB VAL 37 -2.887 -5.805 -7.453 276 HG11 VAL 37 HG11 VAL 37 -4.992 -5.030 -6.443 277 HG12 VAL 37 HG12 VAL 37 -4.218 -5.033 -4.857 278 HG13 VAL 37 HG13 VAL 37 -4.435 -6.546 -5.737 279 HG21 VAL 37 HG21 VAL 37 -3.405 -3.415 -7.351 280 HG22 VAL 37 HG22 VAL 37 -1.668 -3.707 -7.270 281 HG23 VAL 37 HG23 VAL 37 -2.563 -3.301 -5.807 282 H VAL 38 HN VAL 38 -1.561 -7.086 -3.424 283 HA VAL 38 HA VAL 38 -2.143 -9.757 -4.254 284 HB VAL 38 HB VAL 38 -2.305 -8.553 -1.482 285 HG11 VAL 38 HG11 VAL 38 -3.512 -10.648 -1.640 286 HG12 VAL 38 HG12 VAL 38 -2.034 -10.859 -0.700 287 HG13 VAL 38 HG13 VAL 38 -2.105 -11.424 -2.368 288 HG21 VAL 38 HG21 VAL 38 -0.026 -9.974 -2.843 289 HG22 VAL 38 HG22 VAL 38 -0.067 -9.500 -1.145 290 HG23 VAL 38 HG23 VAL 38 -0.083 -8.266 -2.405 291 H GLY 39 HN GLY 39 -4.081 -10.261 -5.037 292 HA2 GLY 39 HA2 GLY 39 -6.378 -8.633 -4.599 293 HA3 GLY 39 HA1 GLY 39 -6.330 -10.154 -5.480 294 H TYR 40 HN TYR 40 -8.503 -9.641 -3.991 295 HA TYR 40 HA TYR 40 -8.272 -10.691 -1.333 296 HB2 TYR 40 HB2 TYR 40 -10.097 -9.126 -2.095 297 HB3 TYR 40 HB1 TYR 40 -10.772 -10.463 -3.027 298 HD1 TYR 40 HD1 TYR 40 -9.925 -9.398 0.438 299 HD2 TYR 40 HD2 TYR 40 -12.217 -12.016 -2.013 300 HE1 TYR 40 HE1 TYR 40 -11.194 -10.129 2.413 301 HE2 TYR 40 HE2 TYR 40 -13.492 -12.749 -0.041 302 HH TYR 40 HH TYR 40 -13.132 -12.857 2.438 303 H GLY 41 HN GLY 41 -7.846 -12.735 -0.900 304 HA2 GLY 41 HA2 GLY 41 -8.716 -14.785 -2.846 305 HA3 GLY 41 HA1 GLY 41 -7.238 -14.896 -1.892 306 H GLY 42 HN GLY 42 -10.622 -14.159 -1.122 307 HA2 GLY 42 HA2 GLY 42 -12.111 -15.470 0.118 308 HA3 GLY 42 HA1 GLY 42 -10.785 -16.559 0.515 309 H HIS 43 HN HIS 43 -12.388 -15.953 2.549 310 HA HIS 43 HA HIS 43 -11.627 -13.557 3.918 311 HB2 HIS 43 HB2 HIS 43 -13.133 -16.007 4.877 312 HB3 HIS 43 HB1 HIS 43 -12.865 -14.565 5.855 313 HD1 HIS 43 HD1 HIS 43 -14.427 -12.619 5.508 314 HD2 HIS 43 HD2 HIS 43 -14.839 -15.551 2.585 315 HE1 HIS 43 HE1 HIS 43 -16.435 -11.948 4.151 316 HE2 HIS 43 HE2 HIS 43 -16.595 -13.673 2.321 317 H GLY 44 HN GLY 44 -9.704 -13.270 4.691 318 HA2 GLY 44 HA2 GLY 44 -8.141 -14.090 6.488 319 HA3 GLY 44 HA1 GLY 44 -8.165 -15.612 5.610 320 H HIS 45 HN HIS 45 -8.407 -13.837 3.109 321 HA HIS 45 HA HIS 45 -5.590 -12.971 2.959 322 HB2 HIS 45 HB2 HIS 45 -7.219 -14.352 0.805 323 HB3 HIS 45 HB1 HIS 45 -5.652 -13.605 0.534 324 HD1 HIS 45 HD1 HIS 45 -3.658 -15.050 0.877 325 HD2 HIS 45 HD2 HIS 45 -7.068 -16.630 2.665 326 HE1 HIS 45 HE1 HIS 45 -3.000 -17.332 1.697 327 HE2 HIS 45 HE2 HIS 45 -5.105 -18.312 2.663 328 HA PRO 46 HA PRO 46 -8.451 -9.480 2.015 329 HB2 PRO 46 HB2 PRO 46 -6.676 -7.835 3.613 330 HB3 PRO 46 HB1 PRO 46 -8.366 -8.259 3.922 331 HG2 PRO 46 HG2 PRO 46 -6.274 -9.159 5.439 332 HG3 PRO 46 HG1 PRO 46 -7.802 -10.039 5.251 333 HD2 PRO 46 HD2 PRO 46 -5.178 -10.482 3.881 334 HD3 PRO 46 HD1 PRO 46 -6.336 -11.672 4.514 335 H THR 47 HN THR 47 -8.192 -7.853 0.544 336 HA THR 47 HA THR 47 -6.009 -7.855 -1.191 337 HB THR 47 HB THR 47 -7.928 -5.554 -0.797 338 HG1 THR 47 HG1 THR 47 -8.406 -7.650 -2.619 339 HG21 THR 47 HG21 THR 47 -7.573 -5.142 -3.159 340 HG22 THR 47 HG22 THR 47 -6.576 -6.589 -3.299 341 HG23 THR 47 HG23 THR 47 -6.005 -5.211 -2.355 342 H GLN 48 HN GLN 48 -4.157 -6.723 -1.274 343 HA GLN 48 HA GLN 48 -3.657 -4.447 0.429 344 HB2 GLN 48 HB2 GLN 48 -1.729 -5.522 1.583 345 HB3 GLN 48 HB1 GLN 48 -3.278 -6.211 2.044 346 HG2 GLN 48 HG2 GLN 48 -2.875 -8.052 0.429 347 HG3 GLN 48 HG1 GLN 48 -1.271 -7.385 0.136 348 HE21 GLN 48 HE21 GLN 48 -3.321 -9.040 2.396 349 HE22 GLN 48 HE22 GLN 48 -2.062 -9.541 3.473 350 H VAL 49 HN VAL 49 -1.778 -3.311 -0.197 351 HA VAL 49 HA VAL 49 -0.545 -4.361 -2.648 352 HB VAL 49 HB VAL 49 -1.665 -2.245 -3.043 353 HG11 VAL 49 HG11 VAL 49 -1.647 -1.305 -0.812 354 HG12 VAL 49 HG12 VAL 49 -0.914 -0.171 -1.948 355 HG13 VAL 49 HG13 VAL 49 0.107 -1.128 -0.874 356 HG21 VAL 49 HG21 VAL 49 0.226 -0.953 -3.938 357 HG22 VAL 49 HG22 VAL 49 0.365 -2.675 -4.295 358 HG23 VAL 49 HG23 VAL 49 1.338 -1.959 -3.009 359 H ARG 50 HN ARG 50 1.371 -5.181 -2.384 360 HA ARG 50 HA ARG 50 3.022 -4.170 -0.184 361 HB2 ARG 50 HB2 ARG 50 4.284 -6.333 -0.434 362 HB3 ARG 50 HB1 ARG 50 2.630 -6.473 0.132 363 HG2 ARG 50 HG2 ARG 50 1.946 -7.081 -2.171 364 HG3 ARG 50 HG1 ARG 50 3.650 -7.064 -2.633 365 HD2 ARG 50 HD2 ARG 50 2.807 -9.333 -2.093 366 HD3 ARG 50 HD1 ARG 50 4.153 -8.825 -1.076 367 HE ARG 50 HE ARG 50 1.643 -8.222 0.140 368 HH11 ARG 50 HH11 ARG 50 3.863 -10.843 -0.497 369 HH12 ARG 50 HH12 ARG 50 3.379 -11.764 0.890 370 HH21 ARG 50 HH21 ARG 50 0.988 -9.430 1.978 371 HH22 ARG 50 HH22 ARG 50 1.744 -10.963 2.299 372 H ILE 51 HN ILE 51 5.081 -3.561 -0.430 373 HA ILE 51 HA ILE 51 5.988 -3.106 -3.193 374 HB ILE 51 HB ILE 51 6.978 -1.670 -0.723 375 HG12 ILE 51 HG12 ILE 51 4.840 -0.760 -2.663 376 HG13 ILE 51 HG11 ILE 51 4.558 -1.256 -0.999 377 HG21 ILE 51 HG21 ILE 51 7.814 -0.032 -2.323 378 HG22 ILE 51 HG22 ILE 51 7.144 -0.974 -3.654 379 HG23 ILE 51 HG23 ILE 51 8.455 -1.638 -2.677 380 HD11 ILE 51 HD11 ILE 51 5.990 0.620 -0.257 381 HD12 ILE 51 HD12 ILE 51 4.542 1.130 -1.121 382 HD13 ILE 51 HD13 ILE 51 6.107 1.145 -1.935 383 H VAL 52 HN VAL 52 7.475 -4.532 -3.782 384 HA VAL 52 HA VAL 52 9.326 -5.565 -1.743 385 HB VAL 52 HB VAL 52 8.417 -7.002 -4.248 386 HG11 VAL 52 HG11 VAL 52 9.996 -7.991 -1.874 387 HG12 VAL 52 HG12 VAL 52 10.629 -7.683 -3.491 388 HG13 VAL 52 HG13 VAL 52 9.453 -8.971 -3.234 389 HG21 VAL 52 HG21 VAL 52 7.531 -7.440 -1.398 390 HG22 VAL 52 HG22 VAL 52 7.084 -8.434 -2.784 391 HG23 VAL 52 HG23 VAL 52 6.554 -6.754 -2.694 392 H ALA 53 HN ALA 53 11.478 -5.554 -2.199 393 HA ALA 53 HA ALA 53 12.272 -4.317 -4.753 394 HB1 ALA 53 HB1 ALA 53 14.261 -3.496 -3.588 395 HB2 ALA 53 HB2 ALA 53 13.698 -4.248 -2.095 396 HB3 ALA 53 HB3 ALA 53 12.782 -2.925 -2.817 397 HA PRO 54 HA PRO 54 14.040 -8.499 -4.954 398 HB2 PRO 54 HB2 PRO 54 13.629 -8.881 -7.605 399 HB3 PRO 54 HB1 PRO 54 12.347 -9.098 -6.402 400 HG2 PRO 54 HG2 PRO 54 12.777 -6.894 -8.337 401 HG3 PRO 54 HG1 PRO 54 11.269 -7.507 -7.644 402 HD2 PRO 54 HD2 PRO 54 12.684 -5.197 -6.844 403 HD3 PRO 54 HD1 PRO 54 11.320 -5.951 -5.999 404 H HIS 55 HN HIS 55 15.964 -6.973 -4.514 405 HA HIS 55 HA HIS 55 17.748 -7.210 -6.821 406 HB2 HIS 55 HB2 HIS 55 16.914 -4.834 -6.619 407 HB3 HIS 55 HB1 HIS 55 17.731 -4.754 -5.061 408 HD1 HIS 55 HD1 HIS 55 18.666 -5.613 -8.655 409 HD2 HIS 55 HD2 HIS 55 20.246 -3.789 -5.272 410 HE1 HIS 55 HE1 HIS 55 20.937 -4.780 -9.334 411 HE2 HIS 55 HE2 HIS 55 21.841 -3.601 -7.300 412 H ALA 56 HN ALA 56 17.851 -9.127 -5.100 413 HA ALA 56 HA ALA 56 19.672 -8.607 -2.919 414 HB1 ALA 56 HB1 ALA 56 17.978 -10.371 -2.744 415 HB2 ALA 56 HB2 ALA 56 19.610 -11.010 -2.549 416 HB3 ALA 56 HB3 ALA 56 18.751 -11.238 -4.073 417 H GLU 57 HN GLU 57 20.003 -8.743 -6.149 418 HA GLU 57 HA GLU 57 22.226 -10.296 -6.720 419 HB2 GLU 57 HB2 GLU 57 20.793 -9.145 -8.390 420 HB3 GLU 57 HB1 GLU 57 21.485 -7.607 -7.901 421 HG2 GLU 57 HG2 GLU 57 23.687 -8.372 -8.657 422 HG3 GLU 57 HG1 GLU 57 22.967 -9.896 -9.174 423 H HIS 58 HN HIS 58 22.014 -7.136 -5.217 424 HA HIS 58 HA HIS 58 24.839 -7.284 -4.515 425 HB2 HIS 58 HB2 HIS 58 24.795 -6.003 -6.621 426 HB3 HIS 58 HB1 HIS 58 23.643 -4.877 -5.917 427 HD1 HIS 58 HD1 HIS 58 27.264 -5.779 -5.930 428 HD2 HIS 58 HD2 HIS 58 24.751 -3.002 -4.129 429 HE1 HIS 58 HE1 HIS 58 28.779 -4.066 -4.896 430 HE2 HIS 58 HE2 HIS 58 27.243 -2.514 -3.652 431 H VAL 59 HN VAL 59 24.051 -7.637 -2.391 432 HA VAL 59 HA VAL 59 23.317 -5.127 -1.073 433 HB VAL 59 HB VAL 59 21.929 -6.541 0.574 434 HG11 VAL 59 HG11 VAL 59 19.906 -6.222 -0.756 435 HG12 VAL 59 HG12 VAL 59 20.883 -6.047 -2.213 436 HG13 VAL 59 HG13 VAL 59 20.998 -4.847 -0.927 437 HG21 VAL 59 HG21 VAL 59 22.577 -8.745 -0.294 438 HG22 VAL 59 HG22 VAL 59 21.807 -8.361 -1.835 439 HG23 VAL 59 HG23 VAL 59 20.832 -8.503 -0.372 440 H ARG 60 HN ARG 60 25.571 -5.052 -0.606 441 HA ARG 60 HA ARG 60 26.629 -7.153 1.127 442 HB2 ARG 60 HB2 ARG 60 27.963 -4.810 -0.231 443 HB3 ARG 60 HB1 ARG 60 28.800 -5.886 0.876 444 HG2 ARG 60 HG2 ARG 60 27.528 -6.648 -1.745 445 HG3 ARG 60 HG1 ARG 60 29.253 -6.509 -1.404 446 HD2 ARG 60 HD2 ARG 60 27.339 -8.485 -0.162 447 HD3 ARG 60 HD1 ARG 60 28.569 -8.840 -1.371 448 HE ARG 60 HE ARG 60 30.136 -7.916 0.487 449 HH11 ARG 60 HH11 ARG 60 27.283 -9.887 0.959 450 HH12 ARG 60 HH12 ARG 60 27.885 -10.642 2.399 451 HH21 ARG 60 HH21 ARG 60 30.941 -8.917 2.380 452 HH22 ARG 60 HH22 ARG 60 29.971 -10.094 3.204 453 H GLY 61 HN GLY 61 25.032 -4.262 1.456 454 HA2 GLY 61 HA2 GLY 61 26.297 -3.537 3.983 455 HA3 GLY 61 HA1 GLY 61 24.928 -2.722 3.233 456 H TYR 62 HN TYR 62 22.860 -3.357 3.738 457 HA TYR 62 HA TYR 62 22.613 -5.531 5.700 458 HB2 TYR 62 HB2 TYR 62 20.505 -3.485 4.935 459 HB3 TYR 62 HB1 TYR 62 20.442 -4.618 6.285 460 HD1 TYR 62 HD2 TYR 62 22.656 -4.379 7.859 461 HD2 TYR 62 HD1 TYR 62 20.917 -1.282 5.518 462 HE1 TYR 62 HE2 TYR 62 23.659 -2.701 9.347 463 HE2 TYR 62 HE1 TYR 62 21.920 0.406 7.000 464 HH TYR 62 HH TYR 62 22.764 0.594 9.267 465 H ALA 63 HN ALA 63 21.839 -7.426 5.016 466 HA ALA 63 HA ALA 63 20.797 -7.675 2.327 467 HB1 ALA 63 HB1 ALA 63 20.876 -10.074 2.728 468 HB2 ALA 63 HB2 ALA 63 21.246 -9.794 4.429 469 HB3 ALA 63 HB3 ALA 63 22.403 -9.320 3.185 470 H HIS 64 HN HIS 64 19.112 -6.125 3.642 471 HA HIS 64 HA HIS 64 16.807 -7.846 4.295 472 HB2 HIS 64 HB2 HIS 64 17.591 -5.158 5.445 473 HB3 HIS 64 HB1 HIS 64 15.971 -5.826 5.609 474 HD1 HIS 64 HD1 HIS 64 15.891 -6.299 8.053 475 HD2 HIS 64 HD2 HIS 64 19.328 -7.815 6.269 476 HE1 HIS 64 HE1 HIS 64 17.043 -7.655 9.832 477 HE2 HIS 64 HE2 HIS 64 19.077 -8.625 8.708 478 HA PRO 65 HA PRO 65 15.758 -5.602 0.436 479 HB2 PRO 65 HB2 PRO 65 13.885 -7.442 -0.338 480 HB3 PRO 65 HB1 PRO 65 15.606 -7.582 -0.714 481 HG2 PRO 65 HG2 PRO 65 14.024 -8.898 1.456 482 HG3 PRO 65 HG1 PRO 65 15.285 -9.583 0.415 483 HD2 PRO 65 HD2 PRO 65 15.778 -8.829 2.953 484 HD3 PRO 65 HD1 PRO 65 16.996 -8.671 1.672 485 H LEU 66 HN LEU 66 14.058 -4.259 0.062 486 HA LEU 66 HA LEU 66 12.270 -3.654 2.140 487 HB2 LEU 66 HB2 LEU 66 12.921 -1.979 0.544 488 HB3 LEU 66 HB1 LEU 66 12.252 -2.911 -0.780 489 HG LEU 66 HG LEU 66 9.982 -2.577 0.193 490 HD11 LEU 66 HD11 LEU 66 11.427 -0.689 2.047 491 HD12 LEU 66 HD12 LEU 66 10.619 -2.187 2.509 492 HD13 LEU 66 HD13 LEU 66 9.678 -0.835 1.879 493 HD21 LEU 66 HD21 LEU 66 9.774 -0.270 -0.539 494 HD22 LEU 66 HD22 LEU 66 10.845 -1.169 -1.614 495 HD23 LEU 66 HD23 LEU 66 11.520 -0.058 -0.421 496 H ASN 67 HN ASN 67 10.497 -4.652 2.744 497 HA ASN 67 HA ASN 67 8.715 -5.826 0.762 498 HB2 ASN 67 HB2 ASN 67 10.195 -7.677 1.649 499 HB3 ASN 67 HB1 ASN 67 9.528 -7.357 3.249 500 HD21 ASN 67 HD21 ASN 67 7.317 -7.798 3.631 501 HD22 ASN 67 HD22 ASN 67 6.444 -8.913 2.639 502 H LEU 68 HN LEU 68 7.331 -4.161 1.161 503 HA LEU 68 HA LEU 68 6.404 -3.770 3.921 504 HB2 LEU 68 HB2 LEU 68 7.204 -1.734 2.952 505 HB3 LEU 68 HB1 LEU 68 6.321 -2.020 1.466 506 HG LEU 68 HG LEU 68 4.195 -1.703 2.719 507 HD11 LEU 68 HD11 LEU 68 4.284 -0.654 4.919 508 HD12 LEU 68 HD12 LEU 68 6.035 -0.857 4.946 509 HD13 LEU 68 HD13 LEU 68 4.982 -2.271 4.944 510 HD21 LEU 68 HD21 LEU 68 4.419 0.734 2.924 511 HD22 LEU 68 HD22 LEU 68 5.148 0.116 1.443 512 HD23 LEU 68 HD23 LEU 68 6.170 0.570 2.806 513 H ALA 69 HN ALA 69 4.399 -4.289 4.490 514 HA ALA 69 HA ALA 69 2.480 -4.936 2.343 515 HB1 ALA 69 HB1 ALA 69 1.390 -6.459 3.893 516 HB2 ALA 69 HB2 ALA 69 2.524 -6.005 5.165 517 HB3 ALA 69 HB3 ALA 69 3.102 -6.868 3.739 518 H LEU 70 HN LEU 70 1.259 -3.190 2.055 519 HA LEU 70 HA LEU 70 0.490 -1.509 4.304 520 HB2 LEU 70 HB2 LEU 70 0.072 -1.282 1.321 521 HB3 LEU 70 HB1 LEU 70 -0.597 -0.137 2.470 522 HG LEU 70 HG LEU 70 2.362 -0.676 2.209 523 HD11 LEU 70 HD11 LEU 70 0.706 1.499 0.944 524 HD12 LEU 70 HD12 LEU 70 1.514 0.178 0.099 525 HD13 LEU 70 HD13 LEU 70 2.467 1.403 0.937 526 HD21 LEU 70 HD21 LEU 70 2.512 1.522 3.338 527 HD22 LEU 70 HD22 LEU 70 1.748 0.282 4.331 528 HD23 LEU 70 HD23 LEU 70 0.760 1.506 3.533 529 H THR 71 HN THR 71 -1.384 -1.776 5.366 530 HA THR 71 HA THR 71 -3.676 -2.839 3.893 531 HB THR 71 HB THR 71 -4.307 -4.053 6.073 532 HG1 THR 71 HG1 THR 71 -1.835 -3.075 6.717 533 HG21 THR 71 HG21 THR 71 -3.666 -5.285 4.077 534 HG22 THR 71 HG22 THR 71 -2.959 -6.043 5.502 535 HG23 THR 71 HG23 THR 71 -1.958 -5.043 4.450 536 H TRP 72 HN TRP 72 -5.715 -2.128 4.735 537 HA TRP 72 HA TRP 72 -5.486 0.244 6.462 538 HB2 TRP 72 HB2 TRP 72 -7.030 -0.080 3.888 539 HB3 TRP 72 HB1 TRP 72 -7.344 1.228 5.031 540 HD1 TRP 72 HD1 TRP 72 -5.537 3.181 5.190 541 HE1 TRP 72 HE1 TRP 72 -3.617 3.894 3.639 542 HE3 TRP 72 HE3 TRP 72 -5.244 -1.005 2.268 543 HZ2 TRP 72 HZ2 TRP 72 -2.171 2.837 1.467 544 HZ3 TRP 72 HZ3 TRP 72 -3.562 -1.070 0.472 545 HH2 TRP 72 HH2 TRP 72 -2.061 0.816 0.086 546 H ASN 73 HN ASN 73 -7.452 0.879 7.528 547 HA ASN 73 HA ASN 73 -8.754 -1.215 8.852 548 HB2 ASN 73 HB2 ASN 73 -9.419 1.717 8.568 549 HB3 ASN 73 HB1 ASN 73 -10.348 0.630 9.596 550 HD21 ASN 73 HD21 ASN 73 -8.621 2.994 10.185 551 HD22 ASN 73 HD22 ASN 73 -7.491 2.429 11.365 552 H THR 74 HN THR 74 -10.643 -2.241 8.558 553 HA THR 74 HA THR 74 -11.705 -2.488 5.972 554 HB THR 74 HB THR 74 -13.066 -3.285 8.554 555 HG1 THR 74 HG1 THR 74 -10.722 -4.117 7.441 556 HG21 THR 74 HG21 THR 74 -14.052 -5.065 7.203 557 HG22 THR 74 HG22 THR 74 -13.197 -4.481 5.777 558 HG23 THR 74 HG23 THR 74 -14.451 -3.489 6.521 559 H ASP 75 HN ASP 75 -12.565 -0.429 8.652 560 HA ASP 75 HA ASP 75 -15.106 0.420 7.773 561 HB2 ASP 75 HB2 ASP 75 -13.012 1.879 9.400 562 HB3 ASP 75 HB1 ASP 75 -14.671 2.429 9.189 563 H GLU 76 HN GLU 76 -11.870 1.712 7.218 564 HA GLU 76 HA GLU 76 -12.478 3.807 5.509 565 HB2 GLU 76 HB2 GLU 76 -10.117 1.924 5.403 566 HB3 GLU 76 HB1 GLU 76 -10.224 3.429 4.505 567 HG2 GLU 76 HG2 GLU 76 -10.256 3.155 7.497 568 HG3 GLU 76 HG1 GLU 76 -8.889 3.678 6.518 569 H ILE 77 HN ILE 77 -11.866 0.413 4.684 570 HA ILE 77 HA ILE 77 -12.257 0.602 1.921 571 HB ILE 77 HB ILE 77 -12.921 -1.760 3.692 572 HG12 ILE 77 HG12 ILE 77 -10.314 -1.015 2.327 573 HG13 ILE 77 HG11 ILE 77 -10.621 -0.970 4.061 574 HG21 ILE 77 HG21 ILE 77 -12.532 -3.109 1.696 575 HG22 ILE 77 HG22 ILE 77 -12.212 -1.651 0.761 576 HG23 ILE 77 HG23 ILE 77 -13.822 -1.938 1.415 577 HD11 ILE 77 HD11 ILE 77 -9.335 -2.938 3.420 578 HD12 ILE 77 HD12 ILE 77 -10.638 -3.444 2.343 579 HD13 ILE 77 HD13 ILE 77 -10.905 -3.388 4.085 580 H GLU 78 HN GLU 78 -14.549 0.011 4.527 581 HA GLU 78 HA GLU 78 -16.897 -0.370 3.063 582 HB2 GLU 78 HB2 GLU 78 -16.609 -0.725 5.515 583 HB3 GLU 78 HB1 GLU 78 -16.541 1.014 5.735 584 HG2 GLU 78 HG2 GLU 78 -18.710 0.409 6.332 585 HG3 GLU 78 HG1 GLU 78 -18.858 1.085 4.712 586 H ARG 79 HN ARG 79 -15.456 2.594 4.358 587 HA ARG 79 HA ARG 79 -17.462 4.352 3.486 588 HB2 ARG 79 HB2 ARG 79 -15.741 4.801 5.264 589 HB3 ARG 79 HB1 ARG 79 -14.561 5.026 3.982 590 HG2 ARG 79 HG2 ARG 79 -15.183 7.189 4.452 591 HG3 ARG 79 HG1 ARG 79 -16.231 6.796 3.090 592 HD2 ARG 79 HD2 ARG 79 -17.001 6.689 6.005 593 HD3 ARG 79 HD1 ARG 79 -17.443 7.961 4.871 594 HE ARG 79 HE ARG 79 -18.432 5.750 3.689 595 HH11 ARG 79 HH11 ARG 79 -18.693 7.012 6.935 596 HH12 ARG 79 HH12 ARG 79 -20.268 6.346 7.212 597 HH21 ARG 79 HH21 ARG 79 -20.507 4.831 4.057 598 HH22 ARG 79 HH22 ARG 79 -21.291 5.091 5.584 599 H LEU 80 HN LEU 80 -14.704 3.002 1.833 600 HA LEU 80 HA LEU 80 -14.339 5.006 -0.110 601 HB2 LEU 80 HB2 LEU 80 -13.738 2.056 -0.224 602 HB3 LEU 80 HB1 LEU 80 -13.245 3.199 -1.457 603 HG LEU 80 HG LEU 80 -12.340 3.156 1.424 604 HD11 LEU 80 HD11 LEU 80 -11.327 1.434 0.027 605 HD12 LEU 80 HD12 LEU 80 -10.152 2.675 0.459 606 HD13 LEU 80 HD13 LEU 80 -10.860 2.657 -1.155 607 HD21 LEU 80 HD21 LEU 80 -12.493 5.456 0.734 608 HD22 LEU 80 HD22 LEU 80 -11.697 5.094 -0.795 609 HD23 LEU 80 HD23 LEU 80 -10.796 4.976 0.716 610 H MET 81 HN MET 81 -16.783 2.600 0.187 611 HA MET 81 HA MET 81 -17.491 2.493 -2.582 612 HB2 MET 81 HB2 MET 81 -19.188 1.840 -0.167 613 HB3 MET 81 HB1 MET 81 -19.509 1.348 -1.823 614 HG2 MET 81 HG2 MET 81 -17.357 0.078 -1.777 615 HG3 MET 81 HG1 MET 81 -17.250 0.450 -0.053 616 HE1 MET 81 HE1 MET 81 -20.460 -1.325 1.332 617 HE2 MET 81 HE2 MET 81 -20.376 0.331 0.734 618 HE3 MET 81 HE3 MET 81 -19.067 -0.318 1.722 619 H GLU 82 HN GLU 82 -17.853 4.849 -0.233 620 HA GLU 82 HA GLU 82 -20.220 5.999 -1.538 621 HB2 GLU 82 HB2 GLU 82 -19.138 6.306 1.263 622 HB3 GLU 82 HB1 GLU 82 -20.387 7.354 0.610 623 HG2 GLU 82 HG2 GLU 82 -20.625 4.364 0.797 624 HG3 GLU 82 HG1 GLU 82 -21.225 5.484 2.012 625 H ALA 83 HN ALA 83 -20.264 8.389 -1.683 626 HA ALA 83 HA ALA 83 -18.198 9.331 -3.236 627 HB1 ALA 83 HB1 ALA 83 -19.211 11.540 -3.012 628 HB2 ALA 83 HB2 ALA 83 -20.147 10.977 -1.630 629 HB3 ALA 83 HB3 ALA 83 -20.437 10.292 -3.229 630 H ASP 84 HN ASP 84 -18.766 10.137 0.194 631 HA ASP 84 HA ASP 84 -16.600 11.920 0.436 632 HB2 ASP 84 HB2 ASP 84 -17.980 10.294 2.590 633 HB3 ASP 84 HB1 ASP 84 -16.864 11.621 2.892 634 H GLY 85 HN GLY 85 -16.742 8.479 0.488 635 HA2 GLY 85 HA2 GLY 85 -14.275 8.093 1.919 636 HA3 GLY 85 HA1 GLY 85 -15.192 6.865 1.047 637 H ALA 86 HN ALA 86 -15.278 7.670 -1.486 638 HA ALA 86 HA ALA 86 -12.812 7.235 -2.602 639 HB1 ALA 86 HB1 ALA 86 -13.769 8.066 -4.688 640 HB2 ALA 86 HB2 ALA 86 -15.095 8.805 -3.792 641 HB3 ALA 86 HB3 ALA 86 -14.919 7.049 -3.821 642 H ALA 87 HN ALA 87 -14.308 10.324 -1.745 643 HA ALA 87 HA ALA 87 -12.392 12.040 -2.812 644 HB1 ALA 87 HB1 ALA 87 -14.003 12.419 -0.291 645 HB2 ALA 87 HB2 ALA 87 -14.544 12.798 -1.927 646 HB3 ALA 87 HB3 ALA 87 -13.201 13.691 -1.214 647 H ARG 88 HN ARG 88 -12.394 10.248 0.235 648 HA ARG 88 HA ARG 88 -10.078 11.526 1.308 649 HB2 ARG 88 HB2 ARG 88 -11.360 8.859 1.922 650 HB3 ARG 88 HB1 ARG 88 -9.995 9.509 2.816 651 HG2 ARG 88 HG2 ARG 88 -12.690 10.836 2.578 652 HG3 ARG 88 HG1 ARG 88 -12.151 9.866 3.950 653 HD2 ARG 88 HD2 ARG 88 -10.320 11.450 4.342 654 HD3 ARG 88 HD1 ARG 88 -10.863 12.417 2.972 655 HE ARG 88 HE ARG 88 -12.878 11.981 4.988 656 HH11 ARG 88 HH11 ARG 88 -10.210 14.026 4.005 657 HH12 ARG 88 HH12 ARG 88 -10.804 15.421 4.846 658 HH21 ARG 88 HH21 ARG 88 -13.660 13.827 6.096 659 HH22 ARG 88 HH22 ARG 88 -12.762 15.310 6.018 660 H PHE 89 HN PHE 89 -10.649 8.776 -0.770 661 HA PHE 89 HA PHE 89 -8.086 7.636 -0.716 662 HB2 PHE 89 HB2 PHE 89 -10.079 6.527 -1.678 663 HB3 PHE 89 HB1 PHE 89 -10.067 7.686 -3.006 664 HD1 PHE 89 HD2 PHE 89 -8.104 4.977 -1.413 665 HD2 PHE 89 HD1 PHE 89 -8.760 7.302 -4.920 666 HE1 PHE 89 HE2 PHE 89 -6.621 3.489 -2.678 667 HE2 PHE 89 HE1 PHE 89 -7.283 5.811 -6.189 668 HZ PHE 89 HZ PHE 89 -6.207 3.902 -5.069 669 H GLU 90 HN GLU 90 -9.469 10.140 -2.843 670 HA GLU 90 HA GLU 90 -7.174 10.444 -4.469 671 HB2 GLU 90 HB2 GLU 90 -9.314 12.486 -3.819 672 HB3 GLU 90 HB1 GLU 90 -8.182 12.582 -5.159 673 HG2 GLU 90 HG2 GLU 90 -10.343 10.514 -4.799 674 HG3 GLU 90 HG1 GLU 90 -10.375 11.877 -5.912 675 H ARG 91 HN ARG 91 -8.198 11.852 -1.447 676 HA ARG 91 HA ARG 91 -6.218 13.864 -1.233 677 HB2 ARG 91 HB2 ARG 91 -8.233 13.937 0.107 678 HB3 ARG 91 HB1 ARG 91 -7.844 12.396 0.851 679 HG2 ARG 91 HG2 ARG 91 -7.410 14.186 2.392 680 HG3 ARG 91 HG1 ARG 91 -5.893 13.424 1.919 681 HD2 ARG 91 HD2 ARG 91 -5.443 15.233 0.362 682 HD3 ARG 91 HD1 ARG 91 -6.994 15.978 0.753 683 HE ARG 91 HE ARG 91 -5.551 15.667 3.134 684 HH11 ARG 91 HH11 ARG 91 -5.352 17.504 0.158 685 HH12 ARG 91 HH12 ARG 91 -4.528 18.839 0.893 686 HH21 ARG 91 HH21 ARG 91 -4.483 17.399 4.101 687 HH22 ARG 91 HH22 ARG 91 -4.030 18.787 3.156 688 H TYR 92 HN TYR 92 -6.281 10.448 -0.519 689 HA TYR 92 HA TYR 92 -3.896 10.484 1.088 690 HB2 TYR 92 HB2 TYR 92 -5.671 8.807 1.449 691 HB3 TYR 92 HB1 TYR 92 -5.383 8.162 -0.163 692 HD1 TYR 92 HD1 TYR 92 -3.690 8.738 3.108 693 HD2 TYR 92 HD2 TYR 92 -3.835 6.439 -0.472 694 HE1 TYR 92 HE1 TYR 92 -2.007 7.201 4.031 695 HE2 TYR 92 HE2 TYR 92 -2.150 4.900 0.444 696 HH TYR 92 HH TYR 92 -1.209 4.962 3.746 697 H LEU 93 HN LEU 93 -4.740 9.912 -2.261 698 HA LEU 93 HA LEU 93 -2.366 8.697 -3.124 699 HB2 LEU 93 HB2 LEU 93 -4.233 10.527 -4.644 700 HB3 LEU 93 HB1 LEU 93 -2.968 9.559 -5.379 701 HG LEU 93 HG LEU 93 -5.378 8.475 -3.917 702 HD11 LEU 93 HD11 LEU 93 -5.955 9.499 -6.047 703 HD12 LEU 93 HD12 LEU 93 -6.105 7.744 -6.128 704 HD13 LEU 93 HD13 LEU 93 -4.710 8.544 -6.853 705 HD21 LEU 93 HD21 LEU 93 -4.629 6.305 -4.862 706 HD22 LEU 93 HD22 LEU 93 -3.519 6.966 -3.664 707 HD23 LEU 93 HD23 LEU 93 -3.136 7.086 -5.382 708 H ALA 94 HN ALA 94 -3.292 12.119 -3.018 709 HA ALA 94 HA ALA 94 -0.834 13.096 -4.024 710 HB1 ALA 94 HB1 ALA 94 -2.876 14.492 -2.302 711 HB2 ALA 94 HB2 ALA 94 -2.868 14.432 -4.064 712 HB3 ALA 94 HB3 ALA 94 -1.580 15.277 -3.204 713 H ALA 95 HN ALA 95 -1.696 11.832 -0.975 714 HA ALA 95 HA ALA 95 0.457 13.259 0.399 715 HB1 ALA 95 HB1 ALA 95 -1.660 11.441 1.529 716 HB2 ALA 95 HB2 ALA 95 -1.750 13.201 1.468 717 HB3 ALA 95 HB3 ALA 95 -0.515 12.414 2.452 718 H LEU 96 HN LEU 96 0.200 10.535 -1.393 719 HA LEU 96 HA LEU 96 1.296 8.465 0.045 720 HB2 LEU 96 HB2 LEU 96 1.733 9.219 -2.834 721 HB3 LEU 96 HB1 LEU 96 2.369 7.745 -2.138 722 HG LEU 96 HG LEU 96 -0.561 8.446 -2.211 723 HD11 LEU 96 HD11 LEU 96 1.018 6.607 -4.005 724 HD12 LEU 96 HD12 LEU 96 0.340 8.169 -4.467 725 HD13 LEU 96 HD13 LEU 96 -0.731 6.836 -4.031 726 HD21 LEU 96 HD21 LEU 96 -0.035 6.909 -0.426 727 HD22 LEU 96 HD22 LEU 96 0.907 5.903 -1.525 728 HD23 LEU 96 HD23 LEU 96 -0.841 6.035 -1.728 729 HA PRO 97 HA PRO 97 5.822 10.067 -0.913 730 HB2 PRO 97 HB2 PRO 97 5.986 12.807 -1.115 731 HB3 PRO 97 HB1 PRO 97 5.970 11.706 -2.495 732 HG2 PRO 97 HG2 PRO 97 3.714 13.266 -1.292 733 HG3 PRO 97 HG1 PRO 97 4.114 13.017 -3.003 734 HD2 PRO 97 HD2 PRO 97 2.161 11.625 -1.831 735 HD3 PRO 97 HD1 PRO 97 3.240 10.861 -3.019 736 H ARG 98 HN ARG 98 3.411 11.854 0.881 737 HA ARG 98 HA ARG 98 5.266 12.839 2.860 738 HB2 ARG 98 HB2 ARG 98 3.192 14.053 2.134 739 HB3 ARG 98 HB1 ARG 98 2.246 12.804 2.929 740 HG2 ARG 98 HG2 ARG 98 3.179 13.412 5.073 741 HG3 ARG 98 HG1 ARG 98 4.230 14.603 4.301 742 HD2 ARG 98 HD2 ARG 98 1.219 14.630 4.416 743 HD3 ARG 98 HD1 ARG 98 2.325 15.739 5.227 744 HE ARG 98 HE ARG 98 2.868 15.890 2.507 745 HH11 ARG 98 HH11 ARG 98 0.217 16.626 4.664 746 HH12 ARG 98 HH12 ARG 98 -0.433 17.866 3.642 747 HH21 ARG 98 HH21 ARG 98 2.003 17.487 1.146 748 HH22 ARG 98 HH22 ARG 98 0.578 18.355 1.632 749 H LYS 99 HN LYS 99 2.848 10.291 2.584 750 HA LYS 99 HA LYS 99 3.037 9.371 5.267 751 HB2 LYS 99 HB2 LYS 99 2.216 7.897 2.755 752 HB3 LYS 99 HB1 LYS 99 1.943 7.333 4.389 753 HG2 LYS 99 HG2 LYS 99 0.788 9.869 3.256 754 HG3 LYS 99 HG1 LYS 99 -0.053 8.319 3.303 755 HD2 LYS 99 HD2 LYS 99 0.158 8.306 5.758 756 HD3 LYS 99 HD1 LYS 99 0.944 9.886 5.684 757 HE2 LYS 99 HE2 LYS 99 -1.054 10.856 4.700 758 HE3 LYS 99 HE1 LYS 99 -1.836 9.279 4.684 759 HZ1 LYS 99 HZ1 LYS 99 -0.964 10.727 7.123 760 HZ2 LYS 99 HZ2 LYS 99 -1.767 9.239 7.084 761 HZ3 LYS 99 HZ3 LYS 99 -2.556 10.638 6.555 762 H LEU 100 HN LEU 100 4.581 8.559 2.234 763 HA LEU 100 HA LEU 100 6.072 6.346 2.950 764 HB2 LEU 100 HB2 LEU 100 5.763 7.471 0.666 765 HB3 LEU 100 HB1 LEU 100 7.075 8.531 1.140 766 HG LEU 100 HG LEU 100 8.457 6.406 1.471 767 HD11 LEU 100 HD11 LEU 100 6.176 5.277 -0.137 768 HD12 LEU 100 HD12 LEU 100 6.666 4.789 1.485 769 HD13 LEU 100 HD13 LEU 100 7.732 4.486 0.115 770 HD21 LEU 100 HD21 LEU 100 7.518 7.163 -1.289 771 HD22 LEU 100 HD22 LEU 100 8.996 6.279 -0.912 772 HD23 LEU 100 HD23 LEU 100 8.806 7.948 -0.376 773 H ALA 101 HN ALA 101 6.940 9.782 3.144 774 HA ALA 101 HA ALA 101 9.545 9.440 4.135 775 HB1 ALA 101 HB1 ALA 101 9.434 11.791 4.739 776 HB2 ALA 101 HB2 ALA 101 7.681 11.771 4.551 777 HB3 ALA 101 HB3 ALA 101 8.720 11.527 3.148 778 H ALA 102 HN ALA 102 6.431 9.659 5.751 779 HA ALA 102 HA ALA 102 7.426 9.981 8.378 780 HB1 ALA 102 HB1 ALA 102 5.165 9.383 9.092 781 HB2 ALA 102 HB2 ALA 102 4.787 8.849 7.454 782 HB3 ALA 102 HB3 ALA 102 5.136 10.548 7.769 783 H TRP 103 HN TRP 103 6.458 7.122 6.514 784 HA TRP 103 HA TRP 103 6.777 5.271 8.625 785 HB2 TRP 103 HB2 TRP 103 6.902 4.832 5.628 786 HB3 TRP 103 HB1 TRP 103 6.805 3.543 6.828 787 HD1 TRP 103 HD1 TRP 103 4.553 4.889 8.692 788 HE1 TRP 103 HE1 TRP 103 2.130 4.977 7.842 789 HE3 TRP 103 HE3 TRP 103 5.445 4.345 3.698 790 HZ2 TRP 103 HZ2 TRP 103 0.776 4.842 5.363 791 HZ3 TRP 103 HZ3 TRP 103 3.535 4.333 2.152 792 HH2 TRP 103 HH2 TRP 103 1.248 4.574 2.970 793 H GLU 104 HN GLU 104 8.990 6.509 6.181 794 HA GLU 104 HA GLU 104 11.139 4.768 6.633 795 HB2 GLU 104 HB2 GLU 104 11.285 7.702 5.911 796 HB3 GLU 104 HB1 GLU 104 12.567 6.523 5.697 797 HG2 GLU 104 HG2 GLU 104 10.979 5.280 4.162 798 HG3 GLU 104 HG1 GLU 104 9.961 6.724 4.222 799 H ASN 105 HN ASN 105 10.345 7.872 8.097 800 HA ASN 105 HA ASN 105 12.582 8.064 9.789 801 HB2 ASN 105 HB2 ASN 105 11.144 9.976 9.185 802 HB3 ASN 105 HB1 ASN 105 9.825 9.274 10.111 803 HD21 ASN 105 HD21 ASN 105 13.211 9.301 11.079 804 HD22 ASN 105 HD22 ASN 105 12.999 10.345 12.438 805 H ALA 106 HN ALA 106 9.406 6.598 10.245 806 HA ALA 106 HA ALA 106 9.820 6.291 13.082 807 HB1 ALA 106 HB1 ALA 106 7.597 5.229 11.348 808 HB2 ALA 106 HB2 ALA 106 7.600 6.789 12.168 809 HB3 ALA 106 HB3 ALA 106 7.608 5.297 13.109 810 H ARG 107 HN ARG 107 9.657 4.066 10.287 811 HA ARG 107 HA ARG 107 10.051 1.846 12.147 812 HB2 ARG 107 HB2 ARG 107 9.328 1.845 9.221 813 HB3 ARG 107 HB1 ARG 107 9.553 0.392 10.182 814 HG2 ARG 107 HG2 ARG 107 7.439 2.507 10.553 815 HG3 ARG 107 HG1 ARG 107 7.210 0.852 9.989 816 HD2 ARG 107 HD2 ARG 107 8.029 1.752 12.752 817 HD3 ARG 107 HD1 ARG 107 6.531 0.953 12.287 818 HE ARG 107 HE ARG 107 8.704 -0.697 11.600 819 HH11 ARG 107 HH11 ARG 107 6.987 0.483 14.406 820 HH12 ARG 107 HH12 ARG 107 7.397 -0.882 15.395 821 HH21 ARG 107 HH21 ARG 107 9.282 -2.490 12.903 822 HH22 ARG 107 HH22 ARG 107 8.697 -2.577 14.537 823 H GLY 108 HN GLY 108 12.072 3.766 10.337 824 HA2 GLY 108 HA2 GLY 108 14.355 3.524 9.985 825 HA3 GLY 108 HA1 GLY 108 14.251 1.924 10.712 826 H VAL 109 HN VAL 109 12.881 3.483 7.846 827 HA VAL 109 HA VAL 109 13.825 1.208 6.232 828 HB VAL 109 HB VAL 109 11.123 2.553 5.957 829 HG11 VAL 109 HG11 VAL 109 12.033 1.824 3.811 830 HG12 VAL 109 HG12 VAL 109 10.638 0.855 4.282 831 HG13 VAL 109 HG13 VAL 109 12.265 0.201 4.458 832 HG21 VAL 109 HG21 VAL 109 11.778 -0.232 6.908 833 HG22 VAL 109 HG22 VAL 109 10.161 0.430 6.668 834 HG23 VAL 109 HG23 VAL 109 11.211 1.096 7.919 835 H ASP 110 HN ASP 110 14.441 1.743 4.086 836 HA ASP 110 HA ASP 110 14.207 4.570 3.338 837 HB2 ASP 110 HB2 ASP 110 16.519 4.100 4.278 838 HB3 ASP 110 HB1 ASP 110 16.768 3.017 2.905 839 H PHE 111 HN PHE 111 12.853 4.392 1.694 840 HA PHE 111 HA PHE 111 12.624 2.057 0.104 841 HB2 PHE 111 HB2 PHE 111 11.446 4.820 -0.191 842 HB3 PHE 111 HB1 PHE 111 11.043 3.480 -1.259 843 HD1 PHE 111 HD2 PHE 111 10.959 4.592 2.272 844 HD2 PHE 111 HD1 PHE 111 9.445 1.884 -0.636 845 HE1 PHE 111 HE2 PHE 111 9.231 3.860 3.857 846 HE2 PHE 111 HE1 PHE 111 7.713 1.145 0.944 847 HZ PHE 111 HZ PHE 111 7.644 2.093 3.221 848 H GLY 112 HN GLY 112 14.427 5.020 -0.283 849 HA2 GLY 112 HA2 GLY 112 14.895 4.731 -3.089 850 HA3 GLY 112 HA1 GLY 112 15.802 5.756 -1.986 851 H SER 113 HN SER 113 16.433 3.523 -0.207 852 HA SER 113 HA SER 113 18.686 2.466 -1.709 853 HB2 SER 113 HB2 SER 113 18.017 2.179 1.230 854 HB3 SER 113 HB1 SER 113 19.561 1.797 0.464 855 HG SER 113 HG SER 113 18.331 4.360 0.678 856 H ARG 114 HN ARG 114 15.565 1.529 -0.978 857 HA ARG 114 HA ARG 114 14.382 -0.379 -1.299 858 HB2 ARG 114 HB2 ARG 114 16.899 -1.145 -2.771 859 HB3 ARG 114 HB1 ARG 114 15.458 -2.156 -2.739 860 HG2 ARG 114 HG2 ARG 114 14.174 -0.470 -3.851 861 HG3 ARG 114 HG1 ARG 114 15.506 0.683 -3.736 862 HD2 ARG 114 HD2 ARG 114 15.573 -1.919 -5.262 863 HD3 ARG 114 HD1 ARG 114 15.318 -0.328 -5.976 864 HE ARG 114 HE ARG 114 17.701 -0.299 -4.483 865 HH11 ARG 114 HH11 ARG 114 16.412 -1.730 -7.402 866 HH12 ARG 114 HH12 ARG 114 17.943 -1.748 -8.220 867 HH21 ARG 114 HH21 ARG 114 19.711 -0.327 -5.538 868 HH22 ARG 114 HH22 ARG 114 19.822 -0.941 -7.158 869 H THR 115 HN THR 115 16.254 -0.072 1.018 870 HA THR 115 HA THR 115 16.184 -2.853 1.911 871 HB THR 115 HB THR 115 18.449 -2.209 3.107 872 HG1 THR 115 HG1 THR 115 18.669 -0.723 0.688 873 HG21 THR 115 HG21 THR 115 19.705 -3.214 1.238 874 HG22 THR 115 HG22 THR 115 18.298 -3.005 0.196 875 HG23 THR 115 HG23 THR 115 18.217 -4.094 1.580 876 H GLN 116 HN GLN 116 16.623 -2.911 4.379 877 HA GLN 116 HA GLN 116 15.636 -0.528 5.719 878 HB2 GLN 116 HB2 GLN 116 13.755 -1.801 6.761 879 HB3 GLN 116 HB1 GLN 116 13.570 -1.557 5.031 880 HG2 GLN 116 HG2 GLN 116 14.290 -3.831 4.604 881 HG3 GLN 116 HG1 GLN 116 14.567 -4.086 6.325 882 HE21 GLN 116 HE21 GLN 116 12.796 -5.497 4.464 883 HE22 GLN 116 HE22 GLN 116 11.216 -5.380 5.152 884 H ALA 117 HN ALA 117 15.917 -0.526 7.954 885 HA ALA 117 HA ALA 117 17.938 -2.328 8.951 886 HB1 ALA 117 HB1 ALA 117 17.991 0.051 9.534 887 HB2 ALA 117 HB2 ALA 117 17.855 -0.957 10.975 888 HB3 ALA 117 HB3 ALA 117 16.438 -0.115 10.353 889 H ASP 118 HN ASP 118 14.539 -2.109 8.938 890 HA ASP 118 HA ASP 118 14.068 -3.837 11.198 891 HB2 ASP 118 HB2 ASP 118 12.475 -2.045 10.083 892 HB3 ASP 118 HB1 ASP 118 12.071 -3.373 8.996 893 H ALA 119 HN ALA 119 12.861 -5.923 10.824 894 HA ALA 119 HA ALA 119 14.273 -7.482 8.798 895 HB1 ALA 119 HB1 ALA 119 13.418 -9.432 9.996 896 HB2 ALA 119 HB2 ALA 119 12.470 -8.379 11.046 897 HB3 ALA 119 HB3 ALA 119 14.232 -8.321 11.097 898 H LEU 120 HN LEU 120 11.178 -6.137 9.458 899 HA LEU 120 HA LEU 120 10.095 -6.851 6.945 900 HB2 LEU 120 HB2 LEU 120 9.796 -9.026 8.038 901 HB3 LEU 120 HB1 LEU 120 8.982 -8.258 9.381 902 HG LEU 120 HG LEU 120 7.146 -7.595 7.870 903 HD11 LEU 120 HD11 LEU 120 8.674 -9.204 5.840 904 HD12 LEU 120 HD12 LEU 120 8.329 -7.475 5.779 905 HD13 LEU 120 HD13 LEU 120 7.014 -8.641 5.649 906 HD21 LEU 120 HD21 LEU 120 7.788 -10.538 7.874 907 HD22 LEU 120 HD22 LEU 120 6.197 -9.828 7.601 908 HD23 LEU 120 HD23 LEU 120 6.986 -9.645 9.167 909 H VAL 121 HN VAL 121 8.719 -5.200 6.451 910 HA VAL 121 HA VAL 121 7.668 -3.706 8.742 911 HB VAL 121 HB VAL 121 9.201 -2.325 7.545 912 HG11 VAL 121 HG11 VAL 121 9.194 -3.474 5.399 913 HG12 VAL 121 HG12 VAL 121 8.954 -1.738 5.201 914 HG13 VAL 121 HG13 VAL 121 7.586 -2.837 5.060 915 HG21 VAL 121 HG21 VAL 121 7.757 -0.441 6.904 916 HG22 VAL 121 HG22 VAL 121 7.257 -1.190 8.419 917 HG23 VAL 121 HG23 VAL 121 6.363 -1.520 6.936 918 H LEU 122 HN LEU 122 5.774 -4.580 9.101 919 HA LEU 122 HA LEU 122 3.775 -4.621 6.945 920 HB2 LEU 122 HB2 LEU 122 3.547 -5.734 9.748 921 HB3 LEU 122 HB1 LEU 122 2.442 -6.007 8.417 922 HG LEU 122 HG LEU 122 5.286 -7.016 8.559 923 HD11 LEU 122 HD11 LEU 122 2.662 -8.465 8.884 924 HD12 LEU 122 HD12 LEU 122 3.841 -8.143 10.155 925 HD13 LEU 122 HD13 LEU 122 4.254 -9.219 8.822 926 HD21 LEU 122 HD21 LEU 122 4.683 -8.329 6.584 927 HD22 LEU 122 HD22 LEU 122 4.586 -6.597 6.268 928 HD23 LEU 122 HD23 LEU 122 3.112 -7.529 6.532 929 H LEU 123 HN LEU 123 1.966 -3.279 7.071 930 HA LEU 123 HA LEU 123 1.868 -1.466 9.376 931 HB2 LEU 123 HB2 LEU 123 1.656 -0.600 6.492 932 HB3 LEU 123 HB1 LEU 123 1.437 0.438 7.887 933 HG LEU 123 HG LEU 123 4.012 -0.880 7.029 934 HD11 LEU 123 HD11 LEU 123 3.267 1.026 5.647 935 HD12 LEU 123 HD12 LEU 123 4.755 1.356 6.535 936 HD13 LEU 123 HD13 LEU 123 3.223 2.025 7.099 937 HD21 LEU 123 HD21 LEU 123 3.931 -0.754 9.450 938 HD22 LEU 123 HD22 LEU 123 3.447 0.941 9.367 939 HD23 LEU 123 HD23 LEU 123 5.050 0.452 8.816 940 H GLY 124 HN GLY 124 -0.006 -2.063 10.262 941 HA2 GLY 124 HA2 GLY 124 -2.364 -2.233 8.489 942 HA3 GLY 124 HA1 GLY 124 -2.198 -3.136 9.988 943 H GLY 125 HN GLY 125 -4.446 -1.619 9.573 944 HA2 GLY 125 HA2 GLY 125 -5.743 -0.235 10.884 945 HA3 GLY 125 HA1 GLY 125 -4.331 0.069 11.886 946 H LEU 126 HN LEU 126 -3.943 0.668 8.526 947 HA LEU 126 HA LEU 126 -3.538 3.457 9.026 948 HB2 LEU 126 HB2 LEU 126 -3.280 1.685 6.639 949 HB3 LEU 126 HB1 LEU 126 -3.355 3.420 6.398 950 HG LEU 126 HG LEU 126 -1.369 3.682 7.862 951 HD11 LEU 126 HD11 LEU 126 -1.674 1.627 9.184 952 HD12 LEU 126 HD12 LEU 126 -0.057 1.770 8.503 953 HD13 LEU 126 HD13 LEU 126 -1.227 0.674 7.768 954 HD21 LEU 126 HD21 LEU 126 -1.016 1.809 5.526 955 HD22 LEU 126 HD22 LEU 126 0.245 2.805 6.251 956 HD23 LEU 126 HD23 LEU 126 -1.126 3.567 5.446 957 H ASP 127 HN ASP 127 -4.564 5.189 7.958 958 HA ASP 127 HA ASP 127 -7.326 4.671 7.068 959 HB2 ASP 127 HB2 ASP 127 -6.360 6.945 8.835 960 HB3 ASP 127 HB1 ASP 127 -7.977 6.835 8.140 961 H PHE 128 HN PHE 128 -8.178 6.459 5.682 962 HA PHE 128 HA PHE 128 -6.037 7.375 3.904 963 HB2 PHE 128 HB2 PHE 128 -9.035 7.251 3.541 964 HB3 PHE 128 HB1 PHE 128 -7.933 7.924 2.346 965 HD1 PHE 128 HD1 PHE 128 -6.461 6.484 1.057 966 HD2 PHE 128 HD2 PHE 128 -9.139 4.882 3.948 967 HE1 PHE 128 HE1 PHE 128 -6.124 4.236 0.115 968 HE2 PHE 128 HE2 PHE 128 -8.809 2.628 3.013 969 HZ PHE 128 HZ PHE 128 -7.297 2.300 1.093 970 H GLU 129 HN GLU 129 -6.157 8.726 6.311 971 HA GLU 129 HA GLU 129 -7.390 11.299 5.656 972 HB2 GLU 129 HB2 GLU 129 -6.120 10.348 8.228 973 HB3 GLU 129 HB1 GLU 129 -6.873 11.916 7.987 974 HG2 GLU 129 HG2 GLU 129 -9.005 10.742 7.485 975 HG3 GLU 129 HG1 GLU 129 -8.217 9.230 7.934 976 H ALA 130 HN ALA 130 -6.209 13.080 5.202 977 HA ALA 130 HA ALA 130 -3.315 12.987 5.653 978 HB1 ALA 130 HB1 ALA 130 -2.793 13.753 3.462 979 HB2 ALA 130 HB2 ALA 130 -4.495 13.959 3.062 980 HB3 ALA 130 HB3 ALA 130 -3.833 12.339 3.284 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -22.008 -2.332 11.567 2 H2 GLY 1 HT2 GLY 1 -22.409 -1.784 13.113 3 H3 GLY 1 HT3 GLY 1 -23.424 -2.869 12.313 4 HA2 GLY 1 HA1 GLY 1 -20.677 -3.426 13.275 5 HA3 GLY 1 HA2 GLY 1 -22.165 -4.021 13.997 6 H ALA 2 HN ALA 2 -20.112 -4.172 11.142 7 HA ALA 2 HA ALA 2 -21.498 -6.651 10.357 8 HB1 ALA 2 HB1 ALA 2 -20.697 -6.257 8.097 9 HB2 ALA 2 HB2 ALA 2 -19.838 -4.815 8.637 10 HB3 ALA 2 HB3 ALA 2 -21.599 -4.860 8.687 11 H MET 3 HN MET 3 -18.565 -5.338 11.483 12 HA MET 3 HA MET 3 -16.565 -6.210 12.063 13 HB2 MET 3 HB2 MET 3 -17.998 -8.793 11.482 14 HB3 MET 3 HB1 MET 3 -16.292 -8.777 11.900 15 HG2 MET 3 HG2 MET 3 -17.507 -9.224 13.884 16 HG3 MET 3 HG1 MET 3 -16.902 -7.574 14.005 17 HE1 MET 3 HE1 MET 3 -20.013 -9.056 12.043 18 HE2 MET 3 HE2 MET 3 -21.290 -8.754 13.220 19 HE3 MET 3 HE3 MET 3 -19.999 -9.892 13.596 20 H GLY 4 HN GLY 4 -17.728 -7.893 9.152 21 HA2 GLY 4 HA2 GLY 4 -16.148 -6.742 7.275 22 HA3 GLY 4 HA1 GLY 4 -15.088 -7.944 8.001 23 H MET 5 HN MET 5 -14.939 -9.334 6.307 24 HA MET 5 HA MET 5 -15.495 -11.001 4.874 25 HB2 MET 5 HB2 MET 5 -17.788 -11.358 6.812 26 HB3 MET 5 HB1 MET 5 -17.301 -12.534 5.598 27 HG2 MET 5 HG2 MET 5 -15.626 -11.576 7.910 28 HG3 MET 5 HG1 MET 5 -16.456 -13.128 7.797 29 HE1 MET 5 HE1 MET 5 -14.113 -14.225 8.448 30 HE2 MET 5 HE2 MET 5 -13.287 -12.668 8.415 31 HE3 MET 5 HE3 MET 5 -12.639 -14.030 7.503 32 H SER 6 HN SER 6 -16.402 -8.431 4.140 33 HA SER 6 HA SER 6 -18.960 -8.968 2.828 34 HB2 SER 6 HB2 SER 6 -18.676 -6.817 4.084 35 HB3 SER 6 HB1 SER 6 -17.394 -6.372 2.959 36 HG SER 6 HG SER 6 -19.028 -5.518 1.915 37 HA PRO 7 HA PRO 7 -16.049 -10.282 -0.370 38 HB2 PRO 7 HB2 PRO 7 -17.958 -11.266 -2.082 39 HB3 PRO 7 HB1 PRO 7 -17.262 -12.173 -0.739 40 HG2 PRO 7 HG2 PRO 7 -19.858 -10.708 -0.895 41 HG3 PRO 7 HG1 PRO 7 -19.490 -12.265 -0.127 42 HD2 PRO 7 HD2 PRO 7 -19.764 -9.987 1.290 43 HD3 PRO 7 HD1 PRO 7 -18.626 -11.262 1.771 44 H ASP 8 HN ASP 8 -18.987 -8.415 -1.003 45 HA ASP 8 HA ASP 8 -18.133 -7.601 -3.613 46 HB2 ASP 8 HB2 ASP 8 -20.536 -7.713 -2.863 47 HB3 ASP 8 HB1 ASP 8 -20.234 -6.272 -1.895 48 H THR 9 HN THR 9 -18.153 -6.083 -0.410 49 HA THR 9 HA THR 9 -17.075 -3.598 -1.155 50 HB THR 9 HB THR 9 -16.677 -5.081 1.453 51 HG1 THR 9 HG1 THR 9 -18.509 -3.212 1.734 52 HG21 THR 9 HG21 THR 9 -16.393 -2.837 2.413 53 HG22 THR 9 HG22 THR 9 -16.510 -2.142 0.796 54 HG23 THR 9 HG23 THR 9 -15.157 -3.197 1.207 55 H ALA 10 HN ALA 10 -15.574 -6.607 -0.119 56 HA ALA 10 HA ALA 10 -12.907 -5.691 -0.094 57 HB1 ALA 10 HB1 ALA 10 -13.915 -8.505 -0.492 58 HB2 ALA 10 HB2 ALA 10 -13.639 -7.725 1.065 59 HB3 ALA 10 HB3 ALA 10 -12.282 -8.040 -0.017 60 H ARG 11 HN ARG 11 -14.917 -7.133 -2.591 61 HA ARG 11 HA ARG 11 -12.859 -7.496 -4.501 62 HB2 ARG 11 HB2 ARG 11 -14.943 -8.719 -4.687 63 HB3 ARG 11 HB1 ARG 11 -15.846 -7.220 -4.859 64 HG2 ARG 11 HG2 ARG 11 -14.716 -6.784 -6.983 65 HG3 ARG 11 HG1 ARG 11 -13.810 -8.286 -6.807 66 HD2 ARG 11 HD2 ARG 11 -15.849 -9.575 -6.900 67 HD3 ARG 11 HD1 ARG 11 -16.816 -8.101 -6.930 68 HE ARG 11 HE ARG 11 -15.197 -7.844 -9.091 69 HH11 ARG 11 HH11 ARG 11 -17.383 -10.350 -8.002 70 HH12 ARG 11 HH12 ARG 11 -17.767 -10.889 -9.607 71 HH21 ARG 11 HH21 ARG 11 -15.723 -8.536 -11.201 72 HH22 ARG 11 HH22 ARG 11 -16.838 -9.847 -11.424 73 H ARG 12 HN ARG 12 -15.110 -4.840 -3.855 74 HA ARG 12 HA ARG 12 -14.522 -3.325 -6.146 75 HB2 ARG 12 HB2 ARG 12 -15.450 -2.417 -3.418 76 HB3 ARG 12 HB1 ARG 12 -15.388 -1.377 -4.836 77 HG2 ARG 12 HG2 ARG 12 -16.941 -3.009 -5.959 78 HG3 ARG 12 HG1 ARG 12 -17.129 -3.785 -4.385 79 HD2 ARG 12 HD2 ARG 12 -17.831 -1.542 -3.483 80 HD3 ARG 12 HD1 ARG 12 -17.856 -0.962 -5.145 81 HE ARG 12 HE ARG 12 -19.461 -3.320 -4.480 82 HH11 ARG 12 HH11 ARG 12 -19.327 0.095 -5.277 83 HH12 ARG 12 HH12 ARG 12 -21.029 0.214 -5.587 84 HH21 ARG 12 HH21 ARG 12 -21.691 -3.162 -4.894 85 HH22 ARG 12 HH22 ARG 12 -22.373 -1.639 -5.384 86 H PHE 13 HN PHE 13 -13.068 -3.347 -2.915 87 HA PHE 13 HA PHE 13 -11.219 -1.266 -3.439 88 HB2 PHE 13 HB2 PHE 13 -11.834 -2.177 -1.146 89 HB3 PHE 13 HB1 PHE 13 -10.807 -3.556 -1.503 90 HD1 PHE 13 HD1 PHE 13 -10.865 0.045 -0.808 91 HD2 PHE 13 HD2 PHE 13 -8.413 -3.368 -1.478 92 HE1 PHE 13 HE1 PHE 13 -8.912 1.294 0.009 93 HE2 PHE 13 HE2 PHE 13 -6.454 -2.126 -0.662 94 HZ PHE 13 HZ PHE 13 -6.702 0.209 0.082 95 H ASP 14 HN ASP 14 -11.075 -4.767 -3.713 96 HA ASP 14 HA ASP 14 -8.406 -5.071 -4.458 97 HB2 ASP 14 HB2 ASP 14 -9.428 -7.067 -3.915 98 HB3 ASP 14 HB1 ASP 14 -10.900 -6.678 -4.793 99 H THR 15 HN THR 15 -11.266 -4.519 -6.456 100 HA THR 15 HA THR 15 -9.714 -4.815 -8.877 101 HB THR 15 HB THR 15 -12.629 -4.097 -8.574 102 HG1 THR 15 HG1 THR 15 -11.473 -6.327 -7.924 103 HG21 THR 15 HG21 THR 15 -12.820 -4.862 -10.891 104 HG22 THR 15 HG22 THR 15 -11.082 -5.154 -10.945 105 HG23 THR 15 HG23 THR 15 -11.693 -3.510 -10.766 106 H GLU 16 HN GLU 16 -11.363 -2.140 -7.184 107 HA GLU 16 HA GLU 16 -10.638 -0.375 -9.399 108 HB2 GLU 16 HB2 GLU 16 -12.950 -0.310 -8.590 109 HB3 GLU 16 HB1 GLU 16 -12.386 0.140 -6.988 110 HG2 GLU 16 HG2 GLU 16 -11.576 2.242 -7.790 111 HG3 GLU 16 HG1 GLU 16 -11.918 1.789 -9.459 112 H PHE 17 HN PHE 17 -10.053 -0.677 -5.908 113 HA PHE 17 HA PHE 17 -8.642 1.864 -5.898 114 HB2 PHE 17 HB2 PHE 17 -9.310 -0.060 -3.669 115 HB3 PHE 17 HB1 PHE 17 -8.412 1.433 -3.437 116 HD1 PHE 17 HD2 PHE 17 -11.672 0.150 -4.726 117 HD2 PHE 17 HD1 PHE 17 -9.541 3.410 -2.997 118 HE1 PHE 17 HE2 PHE 17 -13.784 1.368 -4.432 119 HE2 PHE 17 HE1 PHE 17 -11.655 4.632 -2.704 120 HZ PHE 17 HZ PHE 17 -13.779 3.614 -3.422 121 H ALA 18 HN ALA 18 -7.870 -1.519 -5.072 122 HA ALA 18 HA ALA 18 -5.287 -1.089 -4.188 123 HB1 ALA 18 HB1 ALA 18 -6.570 -3.176 -3.890 124 HB2 ALA 18 HB2 ALA 18 -4.909 -3.435 -4.419 125 HB3 ALA 18 HB3 ALA 18 -6.233 -3.586 -5.571 126 HA PRO 19 HA PRO 19 -3.595 -1.953 -8.700 127 HB2 PRO 19 HB2 PRO 19 -5.871 -0.874 -10.281 128 HB3 PRO 19 HB1 PRO 19 -4.815 -2.256 -10.623 129 HG2 PRO 19 HG2 PRO 19 -7.307 -2.658 -9.818 130 HG3 PRO 19 HG1 PRO 19 -5.989 -3.667 -9.193 131 HD2 PRO 19 HD2 PRO 19 -7.372 -1.343 -7.891 132 HD3 PRO 19 HD1 PRO 19 -6.924 -2.914 -7.196 133 H ARG 20 HN ARG 20 -5.767 0.689 -7.902 134 HA ARG 20 HA ARG 20 -4.365 2.694 -9.373 135 HB2 ARG 20 HB2 ARG 20 -6.705 3.016 -8.774 136 HB3 ARG 20 HB1 ARG 20 -6.312 2.912 -7.064 137 HG2 ARG 20 HG2 ARG 20 -6.640 5.202 -7.601 138 HG3 ARG 20 HG1 ARG 20 -4.915 4.959 -7.335 139 HD2 ARG 20 HD2 ARG 20 -5.192 6.353 -9.255 140 HD3 ARG 20 HD1 ARG 20 -4.630 4.774 -9.798 141 HE ARG 20 HE ARG 20 -7.371 4.655 -9.950 142 HH11 ARG 20 HH11 ARG 20 -4.874 6.696 -11.307 143 HH12 ARG 20 HH12 ARG 20 -5.756 7.025 -12.764 144 HH21 ARG 20 HH21 ARG 20 -8.549 5.103 -11.847 145 HH22 ARG 20 HH22 ARG 20 -7.857 6.123 -13.069 146 H ILE 21 HN ILE 21 -4.309 1.503 -6.066 147 HA ILE 21 HA ILE 21 -2.546 3.452 -5.020 148 HB ILE 21 HB ILE 21 -2.924 0.605 -4.070 149 HG12 ILE 21 HG12 ILE 21 -4.354 3.118 -3.169 150 HG13 ILE 21 HG11 ILE 21 -5.054 1.897 -4.227 151 HG21 ILE 21 HG21 ILE 21 -2.133 1.412 -1.926 152 HG22 ILE 21 HG22 ILE 21 -1.974 3.044 -2.569 153 HG23 ILE 21 HG23 ILE 21 -0.934 1.755 -3.172 154 HD11 ILE 21 HD11 ILE 21 -5.864 1.570 -1.995 155 HD12 ILE 21 HD12 ILE 21 -4.220 1.535 -1.356 156 HD13 ILE 21 HD13 ILE 21 -4.786 0.237 -2.408 157 H ALA 22 HN ALA 22 -2.035 0.189 -6.303 158 HA ALA 22 HA ALA 22 0.742 0.084 -5.863 159 HB1 ALA 22 HB1 ALA 22 -0.912 -1.373 -7.919 160 HB2 ALA 22 HB2 ALA 22 -0.606 -1.907 -6.266 161 HB3 ALA 22 HB3 ALA 22 0.723 -1.802 -7.422 162 H ARG 23 HN ARG 23 -1.174 1.276 -8.546 163 HA ARG 23 HA ARG 23 0.976 1.620 -10.365 164 HB2 ARG 23 HB2 ARG 23 -1.318 1.462 -11.148 165 HB3 ARG 23 HB1 ARG 23 -1.760 2.899 -10.238 166 HG2 ARG 23 HG2 ARG 23 -0.343 4.260 -11.661 167 HG3 ARG 23 HG1 ARG 23 0.164 2.825 -12.554 168 HD2 ARG 23 HD2 ARG 23 -2.096 2.453 -13.315 169 HD3 ARG 23 HD1 ARG 23 -2.684 3.789 -12.325 170 HE ARG 23 HE ARG 23 -0.944 5.062 -13.860 171 HH11 ARG 23 HH11 ARG 23 -3.306 2.631 -14.736 172 HH12 ARG 23 HH12 ARG 23 -3.576 3.284 -16.320 173 HH21 ARG 23 HH21 ARG 23 -1.301 5.927 -15.944 174 HH22 ARG 23 HH22 ARG 23 -2.434 5.156 -17.008 175 H ALA 24 HN ALA 24 -0.681 3.802 -8.117 176 HA ALA 24 HA ALA 24 0.711 6.139 -8.852 177 HB1 ALA 24 HB1 ALA 24 -1.404 6.193 -7.629 178 HB2 ALA 24 HB2 ALA 24 -0.146 7.084 -6.772 179 HB3 ALA 24 HB3 ALA 24 -0.614 5.474 -6.225 180 H ILE 25 HN ILE 25 1.230 3.810 -6.228 181 HA ILE 25 HA ILE 25 3.443 5.076 -5.069 182 HB ILE 25 HB ILE 25 2.706 2.145 -5.100 183 HG12 ILE 25 HG12 ILE 25 2.276 4.313 -3.027 184 HG13 ILE 25 HG11 ILE 25 1.032 3.602 -4.051 185 HG21 ILE 25 HG21 ILE 25 4.725 3.595 -3.389 186 HG22 ILE 25 HG22 ILE 25 5.066 2.370 -4.612 187 HG23 ILE 25 HG23 ILE 25 4.189 1.933 -3.145 188 HD11 ILE 25 HD11 ILE 25 0.973 2.692 -1.794 189 HD12 ILE 25 HD12 ILE 25 2.638 2.135 -1.971 190 HD13 ILE 25 HD13 ILE 25 1.365 1.446 -2.979 191 H ALA 26 HN ALA 26 3.248 2.578 -7.577 192 HA ALA 26 HA ALA 26 5.989 2.135 -7.912 193 HB1 ALA 26 HB1 ALA 26 4.303 0.674 -8.888 194 HB2 ALA 26 HB2 ALA 26 5.405 1.266 -10.132 195 HB3 ALA 26 HB3 ALA 26 3.793 1.967 -9.974 196 H ASP 27 HN ASP 27 3.843 4.567 -9.232 197 HA ASP 27 HA ASP 27 5.693 5.675 -11.078 198 HB2 ASP 27 HB2 ASP 27 3.294 5.997 -11.343 199 HB3 ASP 27 HB1 ASP 27 3.215 6.856 -9.811 200 H LEU 28 HN LEU 28 4.874 6.349 -7.729 201 HA LEU 28 HA LEU 28 6.395 8.746 -7.522 202 HB2 LEU 28 HB2 LEU 28 5.528 6.843 -5.344 203 HB3 LEU 28 HB1 LEU 28 6.122 8.471 -5.101 204 HG LEU 28 HG LEU 28 3.572 7.763 -6.554 205 HD11 LEU 28 HD11 LEU 28 2.449 8.686 -4.590 206 HD12 LEU 28 HD12 LEU 28 4.009 8.887 -3.794 207 HD13 LEU 28 HD13 LEU 28 3.419 7.271 -4.179 208 HD21 LEU 28 HD21 LEU 28 4.695 10.435 -5.705 209 HD22 LEU 28 HD22 LEU 28 3.119 10.165 -6.446 210 HD23 LEU 28 HD23 LEU 28 4.589 9.836 -7.361 211 H LEU 29 HN LEU 29 7.074 5.347 -7.123 212 HA LEU 29 HA LEU 29 9.737 5.852 -6.076 213 HB2 LEU 29 HB2 LEU 29 8.388 3.262 -6.859 214 HB3 LEU 29 HB1 LEU 29 9.930 3.399 -6.035 215 HG LEU 29 HG LEU 29 7.282 4.303 -4.908 216 HD11 LEU 29 HD11 LEU 29 7.424 1.869 -5.130 217 HD12 LEU 29 HD12 LEU 29 7.451 2.375 -3.442 218 HD13 LEU 29 HD13 LEU 29 8.945 1.882 -4.237 219 HD21 LEU 29 HD21 LEU 29 10.050 4.183 -3.723 220 HD22 LEU 29 HD22 LEU 29 8.579 4.418 -2.783 221 HD23 LEU 29 HD23 LEU 29 9.057 5.618 -3.982 222 H ASN 30 HN ASN 30 8.469 6.213 -8.986 223 HA ASN 30 HA ASN 30 9.224 6.272 -11.125 224 HB2 ASN 30 HB2 ASN 30 11.981 6.082 -9.887 225 HB3 ASN 30 HB1 ASN 30 11.587 6.704 -11.483 226 HD21 ASN 30 HD21 ASN 30 11.703 7.377 -8.102 227 HD22 ASN 30 HD22 ASN 30 11.282 9.049 -8.210 228 H HIS 31 HN HIS 31 8.648 3.694 -9.926 229 HA HIS 31 HA HIS 31 8.827 1.464 -10.288 230 HB2 HIS 31 HB2 HIS 31 9.747 2.552 -12.935 231 HB3 HIS 31 HB1 HIS 31 9.673 0.819 -12.640 232 HD1 HIS 31 HD1 HIS 31 7.409 -0.286 -12.740 233 HD2 HIS 31 HD2 HIS 31 7.196 3.858 -12.925 234 HE1 HIS 31 HE1 HIS 31 5.018 0.245 -13.300 235 HE2 HIS 31 HE2 HIS 31 4.915 2.757 -13.439 236 H ARG 32 HN ARG 32 11.077 2.739 -8.948 237 HA ARG 32 HA ARG 32 13.332 1.104 -9.790 238 HB2 ARG 32 HB2 ARG 32 13.034 2.996 -7.449 239 HB3 ARG 32 HB1 ARG 32 14.526 2.189 -7.909 240 HG2 ARG 32 HG2 ARG 32 13.018 4.153 -9.623 241 HG3 ARG 32 HG1 ARG 32 14.434 4.533 -8.646 242 HD2 ARG 32 HD2 ARG 32 15.149 4.229 -10.901 243 HD3 ARG 32 HD1 ARG 32 15.707 2.847 -9.962 244 HE ARG 32 HE ARG 32 13.189 2.473 -11.346 245 HH11 ARG 32 HH11 ARG 32 16.668 2.148 -11.500 246 HH12 ARG 32 HH12 ARG 32 16.626 0.889 -12.691 247 HH21 ARG 32 HH21 ARG 32 13.125 0.787 -12.901 248 HH22 ARG 32 HH22 ARG 32 14.617 0.106 -13.476 249 H ALA 33 HN ALA 33 10.672 0.962 -7.728 250 HA ALA 33 HA ALA 33 11.625 -1.598 -6.650 251 HB1 ALA 33 HB1 ALA 33 11.527 0.056 -4.841 252 HB2 ALA 33 HB2 ALA 33 10.300 -1.192 -4.630 253 HB3 ALA 33 HB3 ALA 33 9.845 0.397 -5.244 254 H HIS 34 HN HIS 34 9.946 -3.195 -6.442 255 HA HIS 34 HA HIS 34 7.952 -2.837 -8.553 256 HB2 HIS 34 HB2 HIS 34 9.494 -4.770 -8.695 257 HB3 HIS 34 HB1 HIS 34 8.903 -5.351 -7.145 258 HD1 HIS 34 HD1 HIS 34 7.896 -5.010 -10.747 259 HD2 HIS 34 HD2 HIS 34 6.486 -6.734 -7.232 260 HE1 HIS 34 HE1 HIS 34 6.001 -6.509 -11.440 261 HE2 HIS 34 HE2 HIS 34 5.085 -7.444 -9.289 262 H THR 35 HN THR 35 5.812 -2.790 -8.162 263 HA THR 35 HA THR 35 4.941 -3.323 -5.404 264 HB THR 35 HB THR 35 2.964 -1.898 -5.959 265 HG1 THR 35 HG1 THR 35 3.094 -0.606 -7.846 266 HG21 THR 35 HG21 THR 35 5.640 -0.546 -6.316 267 HG22 THR 35 HG22 THR 35 4.928 -1.001 -4.769 268 HG23 THR 35 HG23 THR 35 4.148 0.224 -5.773 269 H ASP 36 HN ASP 36 3.065 -4.565 -5.075 270 HA ASP 36 HA ASP 36 2.060 -6.038 -7.394 271 HB2 ASP 36 HB2 ASP 36 3.977 -7.337 -6.537 272 HB3 ASP 36 HB1 ASP 36 3.245 -7.357 -4.937 273 H VAL 37 HN VAL 37 -0.046 -6.515 -7.248 274 HA VAL 37 HA VAL 37 -1.450 -5.497 -4.912 275 HB VAL 37 HB VAL 37 -2.539 -6.436 -7.570 276 HG11 VAL 37 HG11 VAL 37 -4.201 -6.662 -5.822 277 HG12 VAL 37 HG12 VAL 37 -4.612 -5.302 -6.870 278 HG13 VAL 37 HG13 VAL 37 -3.896 -5.010 -5.286 279 HG21 VAL 37 HG21 VAL 37 -2.859 -4.063 -8.057 280 HG22 VAL 37 HG22 VAL 37 -1.157 -4.434 -7.787 281 HG23 VAL 37 HG23 VAL 37 -2.096 -3.639 -6.524 282 H VAL 38 HN VAL 38 -1.640 -6.905 -3.315 283 HA VAL 38 HA VAL 38 -2.214 -9.707 -3.786 284 HB VAL 38 HB VAL 38 -2.161 -8.163 -1.181 285 HG11 VAL 38 HG11 VAL 38 -2.174 -11.121 -1.729 286 HG12 VAL 38 HG12 VAL 38 -3.460 -10.181 -0.973 287 HG13 VAL 38 HG13 VAL 38 -1.915 -10.384 -0.149 288 HG21 VAL 38 HG21 VAL 38 -0.036 -9.869 -2.467 289 HG22 VAL 38 HG22 VAL 38 0.050 -9.154 -0.857 290 HG23 VAL 38 HG23 VAL 38 0.005 -8.115 -2.280 291 H GLY 39 HN GLY 39 -4.195 -9.918 -4.696 292 HA2 GLY 39 HA2 GLY 39 -6.349 -8.159 -3.867 293 HA3 GLY 39 HA1 GLY 39 -6.375 -9.275 -5.222 294 H TYR 40 HN TYR 40 -8.566 -9.118 -3.790 295 HA TYR 40 HA TYR 40 -8.600 -11.088 -1.657 296 HB2 TYR 40 HB2 TYR 40 -9.960 -9.027 -1.478 297 HB3 TYR 40 HB1 TYR 40 -10.854 -9.499 -2.923 298 HD1 TYR 40 HD1 TYR 40 -10.102 -10.575 0.572 299 HD2 TYR 40 HD2 TYR 40 -12.758 -10.848 -2.748 300 HE1 TYR 40 HE1 TYR 40 -11.715 -11.800 1.969 301 HE2 TYR 40 HE2 TYR 40 -14.374 -12.071 -1.358 302 HH TYR 40 HH TYR 40 -14.025 -12.337 2.073 303 H GLY 41 HN GLY 41 -9.571 -13.089 -1.763 304 HA2 GLY 41 HA2 GLY 41 -10.645 -13.921 -4.377 305 HA3 GLY 41 HA1 GLY 41 -9.424 -14.898 -3.562 306 H GLY 42 HN GLY 42 -11.264 -16.494 -3.868 307 HA2 GLY 42 HA2 GLY 42 -13.586 -16.241 -2.216 308 HA3 GLY 42 HA1 GLY 42 -13.043 -17.701 -3.035 309 H HIS 43 HN HIS 43 -10.366 -17.112 -1.593 310 HA HIS 43 HA HIS 43 -11.034 -18.653 0.794 311 HB2 HIS 43 HB2 HIS 43 -8.391 -17.949 -0.506 312 HB3 HIS 43 HB1 HIS 43 -8.509 -18.779 1.043 313 HD1 HIS 43 HD1 HIS 43 -9.496 -21.211 1.010 314 HD2 HIS 43 HD2 HIS 43 -8.803 -19.548 -2.739 315 HE1 HIS 43 HE1 HIS 43 -9.583 -23.132 -0.612 316 HE2 HIS 43 HE2 HIS 43 -9.323 -22.073 -2.883 317 H GLY 44 HN GLY 44 -9.532 -18.036 2.746 318 HA2 GLY 44 HA2 GLY 44 -10.268 -15.378 3.551 319 HA3 GLY 44 HA1 GLY 44 -9.368 -16.546 4.502 320 H HIS 45 HN HIS 45 -8.883 -14.704 1.492 321 HA HIS 45 HA HIS 45 -6.048 -14.454 2.192 322 HB2 HIS 45 HB2 HIS 45 -6.967 -15.314 -0.097 323 HB3 HIS 45 HB1 HIS 45 -7.247 -13.610 -0.435 324 HD1 HIS 45 HD1 HIS 45 -4.638 -16.189 -0.361 325 HD2 HIS 45 HD2 HIS 45 -4.821 -12.038 -0.561 326 HE1 HIS 45 HE1 HIS 45 -2.347 -15.447 -1.083 327 HE2 HIS 45 HE2 HIS 45 -2.443 -12.933 -1.087 328 HA PRO 46 HA PRO 46 -6.990 -10.293 3.493 329 HB2 PRO 46 HB2 PRO 46 -4.416 -9.540 3.988 330 HB3 PRO 46 HB1 PRO 46 -5.352 -10.567 5.088 331 HG2 PRO 46 HG2 PRO 46 -3.318 -11.354 3.029 332 HG3 PRO 46 HG1 PRO 46 -3.512 -11.942 4.690 333 HD2 PRO 46 HD2 PRO 46 -4.408 -13.338 2.570 334 HD3 PRO 46 HD1 PRO 46 -5.261 -13.344 4.127 335 H THR 47 HN THR 47 -7.101 -8.357 2.466 336 HA THR 47 HA THR 47 -5.831 -8.179 -0.158 337 HB THR 47 HB THR 47 -7.898 -6.305 1.011 338 HG1 THR 47 HG1 THR 47 -8.216 -8.853 0.451 339 HG21 THR 47 HG21 THR 47 -8.381 -5.818 -1.349 340 HG22 THR 47 HG22 THR 47 -7.111 -6.936 -1.844 341 HG23 THR 47 HG23 THR 47 -6.697 -5.465 -0.963 342 H GLN 48 HN GLN 48 -4.090 -6.953 -0.480 343 HA GLN 48 HA GLN 48 -3.568 -4.529 0.951 344 HB2 GLN 48 HB2 GLN 48 -1.520 -5.274 2.081 345 HB3 GLN 48 HB1 GLN 48 -2.921 -6.144 2.685 346 HG2 GLN 48 HG2 GLN 48 -2.318 -8.047 1.223 347 HG3 GLN 48 HG1 GLN 48 -0.862 -7.173 0.748 348 HE21 GLN 48 HE21 GLN 48 0.512 -8.748 1.595 349 HE22 GLN 48 HE22 GLN 48 0.714 -8.977 3.298 350 H VAL 49 HN VAL 49 -1.502 -3.544 0.227 351 HA VAL 49 HA VAL 49 -0.596 -4.724 -2.311 352 HB VAL 49 HB VAL 49 -1.720 -2.592 -2.703 353 HG11 VAL 49 HG11 VAL 49 -0.779 -0.487 -1.875 354 HG12 VAL 49 HG12 VAL 49 0.376 -1.395 -0.898 355 HG13 VAL 49 HG13 VAL 49 -1.351 -1.515 -0.559 356 HG21 VAL 49 HG21 VAL 49 1.265 -2.397 -3.085 357 HG22 VAL 49 HG22 VAL 49 0.045 -1.482 -3.970 358 HG23 VAL 49 HG23 VAL 49 0.137 -3.234 -4.150 359 H ARG 50 HN ARG 50 1.358 -5.490 -2.287 360 HA ARG 50 HA ARG 50 3.163 -4.668 -0.138 361 HB2 ARG 50 HB2 ARG 50 4.419 -6.739 -0.671 362 HB3 ARG 50 HB1 ARG 50 2.751 -7.040 -0.208 363 HG2 ARG 50 HG2 ARG 50 2.136 -7.367 -2.530 364 HG3 ARG 50 HG1 ARG 50 3.786 -6.992 -3.032 365 HD2 ARG 50 HD2 ARG 50 4.628 -8.932 -1.885 366 HD3 ARG 50 HD1 ARG 50 3.033 -9.275 -1.214 367 HE ARG 50 HE ARG 50 2.621 -9.297 -3.908 368 HH11 ARG 50 HH11 ARG 50 4.860 -10.973 -1.783 369 HH12 ARG 50 HH12 ARG 50 4.934 -12.391 -2.783 370 HH21 ARG 50 HH21 ARG 50 2.728 -11.137 -5.213 371 HH22 ARG 50 HH22 ARG 50 3.734 -12.476 -4.752 372 H ILE 51 HN ILE 51 5.093 -3.771 -0.465 373 HA ILE 51 HA ILE 51 5.926 -3.283 -3.241 374 HB ILE 51 HB ILE 51 6.896 -1.803 -0.787 375 HG12 ILE 51 HG12 ILE 51 4.737 -0.976 -2.743 376 HG13 ILE 51 HG11 ILE 51 4.467 -1.457 -1.072 377 HG21 ILE 51 HG21 ILE 51 8.374 -1.748 -2.741 378 HG22 ILE 51 HG22 ILE 51 7.686 -0.160 -2.408 379 HG23 ILE 51 HG23 ILE 51 7.046 -1.136 -3.727 380 HD11 ILE 51 HD11 ILE 51 4.389 0.923 -1.212 381 HD12 ILE 51 HD12 ILE 51 5.939 0.974 -2.050 382 HD13 ILE 51 HD13 ILE 51 5.867 0.468 -0.365 383 H VAL 52 HN VAL 52 7.487 -4.584 -3.882 384 HA VAL 52 HA VAL 52 9.357 -5.658 -1.883 385 HB VAL 52 HB VAL 52 8.564 -6.882 -4.538 386 HG11 VAL 52 HG11 VAL 52 10.851 -7.443 -3.874 387 HG12 VAL 52 HG12 VAL 52 9.792 -8.850 -3.788 388 HG13 VAL 52 HG13 VAL 52 10.261 -8.010 -2.312 389 HG21 VAL 52 HG21 VAL 52 6.725 -6.969 -2.941 390 HG22 VAL 52 HG22 VAL 52 7.791 -7.690 -1.735 391 HG23 VAL 52 HG23 VAL 52 7.399 -8.578 -3.208 392 H ALA 53 HN ALA 53 11.458 -5.277 -2.146 393 HA ALA 53 HA ALA 53 12.356 -4.104 -4.687 394 HB1 ALA 53 HB1 ALA 53 13.691 -2.477 -3.532 395 HB2 ALA 53 HB2 ALA 53 13.245 -3.154 -1.968 396 HB3 ALA 53 HB3 ALA 53 12.028 -2.345 -2.956 397 HA PRO 54 HA PRO 54 15.194 -7.576 -3.742 398 HB2 PRO 54 HB2 PRO 54 15.396 -7.819 -6.641 399 HB3 PRO 54 HB1 PRO 54 14.782 -8.995 -5.472 400 HG2 PRO 54 HG2 PRO 54 13.199 -7.709 -7.279 401 HG3 PRO 54 HG1 PRO 54 12.615 -8.289 -5.709 402 HD2 PRO 54 HD2 PRO 54 13.384 -5.515 -6.541 403 HD3 PRO 54 HD1 PRO 54 12.045 -6.052 -5.502 404 H HIS 55 HN HIS 55 16.175 -5.209 -3.297 405 HA HIS 55 HA HIS 55 18.449 -4.905 -5.141 406 HB2 HIS 55 HB2 HIS 55 16.800 -3.049 -5.364 407 HB3 HIS 55 HB1 HIS 55 17.027 -2.680 -3.661 408 HD1 HIS 55 HD1 HIS 55 18.894 -1.116 -3.076 409 HD2 HIS 55 HD2 HIS 55 19.169 -2.539 -6.976 410 HE1 HIS 55 HE1 HIS 55 20.735 0.210 -4.160 411 HE2 HIS 55 HE2 HIS 55 20.851 -0.628 -6.532 412 H ALA 56 HN ALA 56 19.092 -6.574 -3.394 413 HA ALA 56 HA ALA 56 19.790 -5.492 -0.820 414 HB1 ALA 56 HB1 ALA 56 19.141 -7.844 -1.085 415 HB2 ALA 56 HB2 ALA 56 20.739 -7.672 -0.361 416 HB3 ALA 56 HB3 ALA 56 20.585 -8.120 -2.059 417 H GLU 57 HN GLU 57 21.154 -5.345 -3.861 418 HA GLU 57 HA GLU 57 23.923 -5.424 -3.124 419 HB2 GLU 57 HB2 GLU 57 22.499 -4.452 -5.603 420 HB3 GLU 57 HB1 GLU 57 24.245 -4.396 -5.419 421 HG2 GLU 57 HG2 GLU 57 22.539 -6.875 -5.371 422 HG3 GLU 57 HG1 GLU 57 23.556 -6.332 -6.704 423 H HIS 58 HN HIS 58 23.607 -3.928 -1.272 424 HA HIS 58 HA HIS 58 24.323 -1.234 -2.150 425 HB2 HIS 58 HB2 HIS 58 21.899 -1.158 -1.632 426 HB3 HIS 58 HB1 HIS 58 22.242 -1.744 -0.008 427 HD1 HIS 58 HD1 HIS 58 22.494 1.299 -2.166 428 HD2 HIS 58 HD2 HIS 58 23.286 0.175 1.753 429 HE1 HIS 58 HE1 HIS 58 22.875 3.441 -0.914 430 HE2 HIS 58 HE2 HIS 58 23.163 2.743 1.486 431 H VAL 59 HN VAL 59 26.397 -1.337 -1.467 432 HA VAL 59 HA VAL 59 27.216 -2.649 0.909 433 HB VAL 59 HB VAL 59 29.412 -1.557 0.539 434 HG11 VAL 59 HG11 VAL 59 28.854 -3.673 -0.549 435 HG12 VAL 59 HG12 VAL 59 29.910 -2.689 -1.564 436 HG13 VAL 59 HG13 VAL 59 28.188 -2.794 -1.924 437 HG21 VAL 59 HG21 VAL 59 28.063 -0.268 -1.833 438 HG22 VAL 59 HG22 VAL 59 29.781 -0.197 -1.445 439 HG23 VAL 59 HG23 VAL 59 28.605 0.570 -0.379 440 H ARG 60 HN ARG 60 28.090 -1.753 2.805 441 HA ARG 60 HA ARG 60 28.091 -0.440 4.654 442 HB2 ARG 60 HB2 ARG 60 27.870 1.788 2.624 443 HB3 ARG 60 HB1 ARG 60 28.179 2.039 4.333 444 HG2 ARG 60 HG2 ARG 60 29.954 0.610 2.366 445 HG3 ARG 60 HG1 ARG 60 30.231 2.186 3.107 446 HD2 ARG 60 HD2 ARG 60 30.129 -0.468 4.540 447 HD3 ARG 60 HD1 ARG 60 31.575 0.482 4.203 448 HE ARG 60 HE ARG 60 30.100 2.215 5.615 449 HH11 ARG 60 HH11 ARG 60 30.953 -1.125 6.187 450 HH12 ARG 60 HH12 ARG 60 30.880 -0.986 7.913 451 HH21 ARG 60 HH21 ARG 60 29.995 2.407 7.894 452 HH22 ARG 60 HH22 ARG 60 30.348 1.028 8.885 453 H GLY 61 HN GLY 61 25.672 -1.594 3.896 454 HA2 GLY 61 HA2 GLY 61 23.841 0.220 5.274 455 HA3 GLY 61 HA1 GLY 61 23.349 -0.366 3.688 456 H TYR 62 HN TYR 62 21.528 -1.377 4.740 457 HA TYR 62 HA TYR 62 22.240 -3.707 6.379 458 HB2 TYR 62 HB2 TYR 62 19.604 -2.252 6.039 459 HB3 TYR 62 HB1 TYR 62 19.783 -3.758 6.940 460 HD1 TYR 62 HD1 TYR 62 20.854 -0.201 6.843 461 HD2 TYR 62 HD2 TYR 62 20.568 -3.752 9.177 462 HE1 TYR 62 HE1 TYR 62 21.448 1.077 8.856 463 HE2 TYR 62 HE2 TYR 62 21.164 -2.478 11.192 464 HH TYR 62 HH TYR 62 21.146 0.896 11.306 465 H ALA 63 HN ALA 63 22.051 -5.687 5.593 466 HA ALA 63 HA ALA 63 21.260 -6.019 2.835 467 HB1 ALA 63 HB1 ALA 63 23.283 -7.099 3.672 468 HB2 ALA 63 HB2 ALA 63 22.122 -8.287 3.081 469 HB3 ALA 63 HB3 ALA 63 22.318 -8.031 4.815 470 H HIS 64 HN HIS 64 19.008 -5.314 3.818 471 HA HIS 64 HA HIS 64 17.479 -7.814 4.131 472 HB2 HIS 64 HB2 HIS 64 16.964 -5.151 5.480 473 HB3 HIS 64 HB1 HIS 64 15.775 -6.449 5.402 474 HD1 HIS 64 HD1 HIS 64 15.953 -8.279 7.104 475 HD2 HIS 64 HD2 HIS 64 19.266 -5.777 7.088 476 HE1 HIS 64 HE1 HIS 64 17.282 -8.908 9.142 477 HE2 HIS 64 HE2 HIS 64 19.383 -7.530 8.982 478 HA PRO 65 HA PRO 65 15.729 -6.186 0.338 479 HB2 PRO 65 HB2 PRO 65 13.990 -8.249 -0.055 480 HB3 PRO 65 HB1 PRO 65 15.703 -8.329 -0.483 481 HG2 PRO 65 HG2 PRO 65 14.296 -9.413 1.922 482 HG3 PRO 65 HG1 PRO 65 15.582 -10.148 0.948 483 HD2 PRO 65 HD2 PRO 65 16.052 -8.955 3.336 484 HD3 PRO 65 HD1 PRO 65 17.243 -8.968 2.019 485 H LEU 66 HN LEU 66 14.227 -4.667 0.310 486 HA LEU 66 HA LEU 66 12.521 -4.185 2.489 487 HB2 LEU 66 HB2 LEU 66 13.500 -2.539 0.807 488 HB3 LEU 66 HB1 LEU 66 12.216 -3.032 -0.275 489 HG LEU 66 HG LEU 66 11.633 -1.891 2.451 490 HD11 LEU 66 HD11 LEU 66 11.989 -0.415 -0.155 491 HD12 LEU 66 HD12 LEU 66 13.005 -0.271 1.281 492 HD13 LEU 66 HD13 LEU 66 11.329 0.276 1.329 493 HD21 LEU 66 HD21 LEU 66 9.792 -3.047 1.330 494 HD22 LEU 66 HD22 LEU 66 10.026 -2.043 -0.101 495 HD23 LEU 66 HD23 LEU 66 9.494 -1.309 1.413 496 H ASN 67 HN ASN 67 10.659 -5.096 2.988 497 HA ASN 67 HA ASN 67 8.804 -5.813 0.832 498 HB2 ASN 67 HB2 ASN 67 9.970 -7.892 1.642 499 HB3 ASN 67 HB1 ASN 67 9.290 -7.590 3.240 500 HD21 ASN 67 HD21 ASN 67 7.036 -7.794 3.534 501 HD22 ASN 67 HD22 ASN 67 6.059 -8.691 2.421 502 H LEU 68 HN LEU 68 7.366 -4.246 1.185 503 HA LEU 68 HA LEU 68 6.410 -3.800 3.931 504 HB2 LEU 68 HB2 LEU 68 7.283 -1.793 2.953 505 HB3 LEU 68 HB1 LEU 68 6.388 -2.055 1.469 506 HG LEU 68 HG LEU 68 4.276 -1.670 2.732 507 HD11 LEU 68 HD11 LEU 68 5.018 -2.232 4.964 508 HD12 LEU 68 HD12 LEU 68 4.419 -0.575 4.920 509 HD13 LEU 68 HD13 LEU 68 6.154 -0.885 4.948 510 HD21 LEU 68 HD21 LEU 68 4.584 0.765 2.928 511 HD22 LEU 68 HD22 LEU 68 5.257 0.109 1.440 512 HD23 LEU 68 HD23 LEU 68 6.325 0.536 2.775 513 H ALA 69 HN ALA 69 4.441 -4.423 4.461 514 HA ALA 69 HA ALA 69 2.487 -4.914 2.304 515 HB1 ALA 69 HB1 ALA 69 3.082 -6.912 3.611 516 HB2 ALA 69 HB2 ALA 69 1.381 -6.479 3.796 517 HB3 ALA 69 HB3 ALA 69 2.532 -6.101 5.078 518 H LEU 70 HN LEU 70 1.133 -3.289 2.108 519 HA LEU 70 HA LEU 70 0.440 -1.652 4.427 520 HB2 LEU 70 HB2 LEU 70 -0.065 -1.288 1.472 521 HB3 LEU 70 HB1 LEU 70 -0.597 -0.160 2.703 522 HG LEU 70 HG LEU 70 2.304 -0.852 2.209 523 HD11 LEU 70 HD11 LEU 70 2.452 1.294 1.068 524 HD12 LEU 70 HD12 LEU 70 0.707 1.504 1.230 525 HD13 LEU 70 HD13 LEU 70 1.351 0.198 0.235 526 HD21 LEU 70 HD21 LEU 70 2.684 1.237 3.472 527 HD22 LEU 70 HD22 LEU 70 1.893 -0.008 4.436 528 HD23 LEU 70 HD23 LEU 70 0.952 1.334 3.784 529 H THR 71 HN THR 71 -1.345 -2.128 5.541 530 HA THR 71 HA THR 71 -3.680 -3.114 4.042 531 HB THR 71 HB THR 71 -4.415 -4.131 6.265 532 HG1 THR 71 HG1 THR 71 -1.936 -3.130 6.951 533 HG21 THR 71 HG21 THR 71 -1.973 -5.233 4.876 534 HG22 THR 71 HG22 THR 71 -3.661 -5.560 4.476 535 HG23 THR 71 HG23 THR 71 -2.986 -6.143 5.997 536 H TRP 72 HN TRP 72 -5.743 -2.317 4.765 537 HA TRP 72 HA TRP 72 -5.529 0.198 6.277 538 HB2 TRP 72 HB2 TRP 72 -6.854 -0.280 3.615 539 HB3 TRP 72 HB1 TRP 72 -7.294 1.087 4.642 540 HD1 TRP 72 HD1 TRP 72 -5.422 3.004 4.990 541 HE1 TRP 72 HE1 TRP 72 -3.407 3.689 3.538 542 HE3 TRP 72 HE3 TRP 72 -5.070 -1.175 2.069 543 HZ2 TRP 72 HZ2 TRP 72 -1.888 2.607 1.428 544 HZ3 TRP 72 HZ3 TRP 72 -3.308 -1.266 0.352 545 HH2 TRP 72 HH2 TRP 72 -1.752 0.591 0.047 546 H ASN 73 HN ASN 73 -7.439 0.973 7.224 547 HA ASN 73 HA ASN 73 -8.905 -0.898 8.663 548 HB2 ASN 73 HB2 ASN 73 -9.573 1.983 8.029 549 HB3 ASN 73 HB1 ASN 73 -10.367 1.024 9.272 550 HD21 ASN 73 HD21 ASN 73 -8.715 3.501 9.369 551 HD22 ASN 73 HD22 ASN 73 -7.477 3.150 10.531 552 H THR 74 HN THR 74 -10.387 -2.269 7.997 553 HA THR 74 HA THR 74 -11.572 -2.331 5.479 554 HB THR 74 HB THR 74 -12.725 -3.580 7.978 555 HG1 THR 74 HG1 THR 74 -11.249 -5.233 7.674 556 HG21 THR 74 HG21 THR 74 -13.482 -5.336 6.467 557 HG22 THR 74 HG22 THR 74 -12.744 -4.505 5.099 558 HG23 THR 74 HG23 THR 74 -14.108 -3.773 5.943 559 H ASP 75 HN ASP 75 -12.640 -0.813 8.442 560 HA ASP 75 HA ASP 75 -15.316 -0.288 7.782 561 HB2 ASP 75 HB2 ASP 75 -13.403 1.382 9.436 562 HB3 ASP 75 HB1 ASP 75 -15.152 1.570 9.412 563 H GLU 76 HN GLU 76 -12.436 1.732 7.414 564 HA GLU 76 HA GLU 76 -13.667 3.778 5.971 565 HB2 GLU 76 HB2 GLU 76 -10.780 2.909 6.034 566 HB3 GLU 76 HB1 GLU 76 -11.345 4.379 5.247 567 HG2 GLU 76 HG2 GLU 76 -12.277 5.127 7.413 568 HG3 GLU 76 HG1 GLU 76 -11.571 3.701 8.169 569 H ILE 77 HN ILE 77 -12.212 0.747 4.819 570 HA ILE 77 HA ILE 77 -12.311 1.238 2.089 571 HB ILE 77 HB ILE 77 -12.939 -1.354 3.520 572 HG12 ILE 77 HG12 ILE 77 -10.353 -0.267 2.368 573 HG13 ILE 77 HG11 ILE 77 -10.716 -0.541 4.071 574 HG21 ILE 77 HG21 ILE 77 -12.349 -2.449 1.394 575 HG22 ILE 77 HG22 ILE 77 -12.223 -0.864 0.630 576 HG23 ILE 77 HG23 ILE 77 -13.776 -1.425 1.245 577 HD11 ILE 77 HD11 ILE 77 -10.470 -2.665 1.952 578 HD12 ILE 77 HD12 ILE 77 -10.846 -2.947 3.650 579 HD13 ILE 77 HD13 ILE 77 -9.279 -2.285 3.194 580 H GLU 78 HN GLU 78 -14.878 -0.042 4.186 581 HA GLU 78 HA GLU 78 -16.922 -0.224 2.288 582 HB2 GLU 78 HB2 GLU 78 -17.088 -1.174 4.536 583 HB3 GLU 78 HB1 GLU 78 -17.054 0.433 5.241 584 HG2 GLU 78 HG2 GLU 78 -19.289 -0.360 5.299 585 HG3 GLU 78 HG1 GLU 78 -19.195 0.920 4.095 586 H ARG 79 HN ARG 79 -15.786 2.476 4.216 587 HA ARG 79 HA ARG 79 -17.858 4.280 3.511 588 HB2 ARG 79 HB2 ARG 79 -16.420 4.424 5.552 589 HB3 ARG 79 HB1 ARG 79 -15.080 4.901 4.523 590 HG2 ARG 79 HG2 ARG 79 -16.210 6.931 3.904 591 HG3 ARG 79 HG1 ARG 79 -17.657 6.434 4.787 592 HD2 ARG 79 HD2 ARG 79 -16.338 6.415 6.871 593 HD3 ARG 79 HD1 ARG 79 -14.940 6.994 5.971 594 HE ARG 79 HE ARG 79 -16.600 8.927 5.407 595 HH11 ARG 79 HH11 ARG 79 -16.287 7.260 8.469 596 HH12 ARG 79 HH12 ARG 79 -16.727 8.644 9.414 597 HH21 ARG 79 HH21 ARG 79 -17.172 10.762 6.658 598 HH22 ARG 79 HH22 ARG 79 -17.231 10.632 8.386 599 H LEU 80 HN LEU 80 -14.839 3.381 2.015 600 HA LEU 80 HA LEU 80 -14.506 5.728 0.434 601 HB2 LEU 80 HB2 LEU 80 -13.399 2.948 0.069 602 HB3 LEU 80 HB1 LEU 80 -12.923 4.334 -0.890 603 HG LEU 80 HG LEU 80 -12.452 3.926 2.063 604 HD11 LEU 80 HD11 LEU 80 -10.975 2.641 0.627 605 HD12 LEU 80 HD12 LEU 80 -10.095 3.954 1.409 606 HD13 LEU 80 HD13 LEU 80 -10.569 4.096 -0.283 607 HD21 LEU 80 HD21 LEU 80 -11.835 6.310 0.320 608 HD22 LEU 80 HD22 LEU 80 -11.154 6.044 1.922 609 HD23 LEU 80 HD23 LEU 80 -12.891 6.267 1.730 610 H MET 81 HN MET 81 -16.700 3.192 0.219 611 HA MET 81 HA MET 81 -16.827 3.107 -2.670 612 HB2 MET 81 HB2 MET 81 -18.724 1.943 -0.625 613 HB3 MET 81 HB1 MET 81 -18.755 1.615 -2.353 614 HG2 MET 81 HG2 MET 81 -16.427 0.707 -2.121 615 HG3 MET 81 HG1 MET 81 -16.623 0.853 -0.376 616 HE1 MET 81 HE1 MET 81 -18.723 -0.287 0.893 617 HE2 MET 81 HE2 MET 81 -19.751 -1.517 0.161 618 HE3 MET 81 HE3 MET 81 -19.879 0.161 -0.361 619 H GLU 82 HN GLU 82 -17.963 5.196 -0.322 620 HA GLU 82 HA GLU 82 -20.260 6.068 -1.903 621 HB2 GLU 82 HB2 GLU 82 -19.176 6.968 0.776 622 HB3 GLU 82 HB1 GLU 82 -20.550 7.723 -0.015 623 HG2 GLU 82 HG2 GLU 82 -20.399 4.837 0.815 624 HG3 GLU 82 HG1 GLU 82 -21.193 6.118 1.722 625 H ALA 83 HN ALA 83 -20.430 8.433 -2.435 626 HA ALA 83 HA ALA 83 -18.339 9.276 -4.037 627 HB1 ALA 83 HB1 ALA 83 -20.628 10.102 -4.257 628 HB2 ALA 83 HB2 ALA 83 -19.474 11.433 -4.162 629 HB3 ALA 83 HB3 ALA 83 -20.449 11.010 -2.756 630 H ASP 84 HN ASP 84 -19.151 10.481 -0.780 631 HA ASP 84 HA ASP 84 -17.046 12.300 -0.510 632 HB2 ASP 84 HB2 ASP 84 -18.558 10.702 1.565 633 HB3 ASP 84 HB1 ASP 84 -17.348 11.905 1.990 634 H GLY 85 HN GLY 85 -17.148 8.856 -0.162 635 HA2 GLY 85 HA2 GLY 85 -14.708 8.550 1.272 636 HA3 GLY 85 HA1 GLY 85 -15.566 7.294 0.384 637 H ALA 86 HN ALA 86 -15.558 8.217 -2.175 638 HA ALA 86 HA ALA 86 -13.035 7.625 -3.153 639 HB1 ALA 86 HB1 ALA 86 -15.084 7.487 -4.489 640 HB2 ALA 86 HB2 ALA 86 -13.842 8.438 -5.303 641 HB3 ALA 86 HB3 ALA 86 -15.189 9.247 -4.503 642 H ALA 87 HN ALA 87 -14.481 10.714 -2.330 643 HA ALA 87 HA ALA 87 -12.524 12.415 -3.381 644 HB1 ALA 87 HB1 ALA 87 -14.227 12.831 -0.927 645 HB2 ALA 87 HB2 ALA 87 -14.703 13.199 -2.584 646 HB3 ALA 87 HB3 ALA 87 -13.381 14.088 -1.827 647 H ARG 88 HN ARG 88 -12.696 10.701 -0.291 648 HA ARG 88 HA ARG 88 -10.419 12.001 0.840 649 HB2 ARG 88 HB2 ARG 88 -11.740 9.380 1.546 650 HB3 ARG 88 HB1 ARG 88 -10.455 10.127 2.483 651 HG2 ARG 88 HG2 ARG 88 -12.134 12.171 2.476 652 HG3 ARG 88 HG1 ARG 88 -13.311 10.877 2.234 653 HD2 ARG 88 HD2 ARG 88 -11.310 11.107 4.473 654 HD3 ARG 88 HD1 ARG 88 -13.052 11.316 4.596 655 HE ARG 88 HE ARG 88 -13.141 8.889 3.864 656 HH11 ARG 88 HH11 ARG 88 -10.516 10.252 5.733 657 HH12 ARG 88 HH12 ARG 88 -10.078 8.742 6.465 658 HH21 ARG 88 HH21 ARG 88 -12.548 6.882 4.825 659 HH22 ARG 88 HH22 ARG 88 -11.211 6.824 5.939 660 H PHE 89 HN PHE 89 -10.934 9.177 -1.134 661 HA PHE 89 HA PHE 89 -8.397 7.997 -0.788 662 HB2 PHE 89 HB2 PHE 89 -10.339 6.801 -1.752 663 HB3 PHE 89 HB1 PHE 89 -10.243 7.827 -3.182 664 HD1 PHE 89 HD2 PHE 89 -7.874 5.748 -1.164 665 HD2 PHE 89 HD1 PHE 89 -9.337 6.803 -5.022 666 HE1 PHE 89 HE2 PHE 89 -6.311 4.160 -2.190 667 HE2 PHE 89 HE1 PHE 89 -7.782 5.214 -6.048 668 HZ PHE 89 HZ PHE 89 -6.262 3.888 -4.637 669 H GLU 90 HN GLU 90 -9.605 10.451 -3.025 670 HA GLU 90 HA GLU 90 -7.278 10.561 -4.635 671 HB2 GLU 90 HB2 GLU 90 -9.442 12.601 -4.110 672 HB3 GLU 90 HB1 GLU 90 -8.131 12.867 -5.249 673 HG2 GLU 90 HG2 GLU 90 -10.275 10.766 -5.389 674 HG3 GLU 90 HG1 GLU 90 -10.045 12.142 -6.465 675 H ARG 91 HN ARG 91 -8.282 12.348 -1.742 676 HA ARG 91 HA ARG 91 -6.044 14.083 -1.685 677 HB2 ARG 91 HB2 ARG 91 -8.101 14.538 -0.411 678 HB3 ARG 91 HB1 ARG 91 -7.782 13.140 0.606 679 HG2 ARG 91 HG2 ARG 91 -5.709 14.203 1.391 680 HG3 ARG 91 HG1 ARG 91 -6.078 15.616 0.404 681 HD2 ARG 91 HD2 ARG 91 -7.818 14.549 2.620 682 HD3 ARG 91 HD1 ARG 91 -6.696 15.898 2.777 683 HE ARG 91 HE ARG 91 -8.345 16.528 0.663 684 HH11 ARG 91 HH11 ARG 91 -8.714 15.857 4.072 685 HH12 ARG 91 HH12 ARG 91 -10.130 16.844 4.247 686 HH21 ARG 91 HH21 ARG 91 -10.206 17.842 0.884 687 HH22 ARG 91 HH22 ARG 91 -10.979 17.974 2.430 688 H TYR 92 HN TYR 92 -6.542 10.804 -0.685 689 HA TYR 92 HA TYR 92 -4.266 10.650 1.047 690 HB2 TYR 92 HB2 TYR 92 -6.175 9.123 1.309 691 HB3 TYR 92 HB1 TYR 92 -5.871 8.460 -0.292 692 HD1 TYR 92 HD1 TYR 92 -4.195 8.927 3.013 693 HD2 TYR 92 HD2 TYR 92 -4.572 6.551 -0.498 694 HE1 TYR 92 HE1 TYR 92 -2.703 7.238 4.003 695 HE2 TYR 92 HE2 TYR 92 -3.085 4.857 0.481 696 HH TYR 92 HH TYR 92 -1.336 4.707 2.193 697 H LEU 93 HN LEU 93 -4.942 9.954 -2.337 698 HA LEU 93 HA LEU 93 -2.490 8.699 -2.945 699 HB2 LEU 93 HB2 LEU 93 -4.316 10.298 -4.744 700 HB3 LEU 93 HB1 LEU 93 -3.005 9.272 -5.298 701 HG LEU 93 HG LEU 93 -5.503 8.344 -3.871 702 HD11 LEU 93 HD11 LEU 93 -4.599 8.030 -6.727 703 HD12 LEU 93 HD12 LEU 93 -5.934 9.030 -6.155 704 HD13 LEU 93 HD13 LEU 93 -6.023 7.273 -6.013 705 HD21 LEU 93 HD21 LEU 93 -3.671 6.912 -3.254 706 HD22 LEU 93 HD22 LEU 93 -3.144 6.795 -4.933 707 HD23 LEU 93 HD23 LEU 93 -4.674 6.073 -4.436 708 H ALA 94 HN ALA 94 -3.520 12.064 -2.956 709 HA ALA 94 HA ALA 94 -1.131 13.107 -4.060 710 HB1 ALA 94 HB1 ALA 94 -3.236 14.342 -4.084 711 HB2 ALA 94 HB2 ALA 94 -1.960 15.275 -3.300 712 HB3 ALA 94 HB3 ALA 94 -3.188 14.467 -2.325 713 H ALA 95 HN ALA 95 -1.974 12.054 -0.870 714 HA ALA 95 HA ALA 95 0.189 13.570 0.367 715 HB1 ALA 95 HB1 ALA 95 -1.830 11.712 1.613 716 HB2 ALA 95 HB2 ALA 95 -1.959 13.467 1.523 717 HB3 ALA 95 HB3 ALA 95 -0.678 12.726 2.482 718 H LEU 96 HN LEU 96 -0.143 10.658 -1.185 719 HA LEU 96 HA LEU 96 1.030 8.734 0.353 720 HB2 LEU 96 HB2 LEU 96 1.212 9.204 -2.600 721 HB3 LEU 96 HB1 LEU 96 1.965 7.817 -1.843 722 HG LEU 96 HG LEU 96 -0.979 8.443 -1.684 723 HD11 LEU 96 HD11 LEU 96 -1.272 6.640 -3.295 724 HD12 LEU 96 HD12 LEU 96 0.478 6.451 -3.416 725 HD13 LEU 96 HD13 LEU 96 -0.289 7.937 -3.975 726 HD21 LEU 96 HD21 LEU 96 0.633 6.029 -0.869 727 HD22 LEU 96 HD22 LEU 96 -1.128 6.088 -0.928 728 HD23 LEU 96 HD23 LEU 96 -0.251 7.125 0.194 729 HA PRO 97 HA PRO 97 5.525 10.077 -1.134 730 HB2 PRO 97 HB2 PRO 97 5.719 12.847 -1.263 731 HB3 PRO 97 HB1 PRO 97 5.657 11.758 -2.651 732 HG2 PRO 97 HG2 PRO 97 3.456 13.339 -1.385 733 HG3 PRO 97 HG1 PRO 97 3.771 13.030 -3.104 734 HD2 PRO 97 HD2 PRO 97 1.861 11.701 -1.797 735 HD3 PRO 97 HD1 PRO 97 2.874 10.887 -3.008 736 H ARG 98 HN ARG 98 3.545 12.297 0.802 737 HA ARG 98 HA ARG 98 5.663 12.832 2.664 738 HB2 ARG 98 HB2 ARG 98 2.720 13.474 2.702 739 HB3 ARG 98 HB1 ARG 98 3.805 13.910 4.015 740 HG2 ARG 98 HG2 ARG 98 5.174 15.191 2.391 741 HG3 ARG 98 HG1 ARG 98 3.961 14.840 1.157 742 HD2 ARG 98 HD2 ARG 98 3.395 16.252 3.758 743 HD3 ARG 98 HD1 ARG 98 3.703 17.071 2.230 744 HE ARG 98 HE ARG 98 1.691 15.734 1.422 745 HH11 ARG 98 HH11 ARG 98 2.066 16.845 4.723 746 HH12 ARG 98 HH12 ARG 98 0.363 17.003 4.998 747 HH21 ARG 98 HH21 ARG 98 -0.554 15.947 1.778 748 HH22 ARG 98 HH22 ARG 98 -1.130 16.475 3.324 749 H LYS 99 HN LYS 99 2.922 10.652 2.559 750 HA LYS 99 HA LYS 99 3.116 9.731 5.244 751 HB2 LYS 99 HB2 LYS 99 2.026 8.340 2.788 752 HB3 LYS 99 HB1 LYS 99 1.754 7.825 4.440 753 HG2 LYS 99 HG2 LYS 99 0.867 10.473 3.319 754 HG3 LYS 99 HG1 LYS 99 -0.153 9.039 3.420 755 HD2 LYS 99 HD2 LYS 99 1.177 10.326 5.799 756 HD3 LYS 99 HD1 LYS 99 -0.469 10.688 5.277 757 HE2 LYS 99 HE2 LYS 99 -1.037 8.297 5.546 758 HE3 LYS 99 HE1 LYS 99 0.590 8.004 6.157 759 HZ1 LYS 99 HZ1 LYS 99 -1.374 9.853 7.399 760 HZ2 LYS 99 HZ2 LYS 99 0.151 9.456 8.006 761 HZ3 LYS 99 HZ3 LYS 99 -1.061 8.280 7.932 762 H LEU 100 HN LEU 100 4.495 8.793 2.188 763 HA LEU 100 HA LEU 100 5.727 6.395 2.907 764 HB2 LEU 100 HB2 LEU 100 5.371 7.446 0.595 765 HB3 LEU 100 HB1 LEU 100 6.816 8.379 0.922 766 HG LEU 100 HG LEU 100 8.013 6.149 1.236 767 HD11 LEU 100 HD11 LEU 100 6.113 4.698 1.502 768 HD12 LEU 100 HD12 LEU 100 6.975 4.250 0.034 769 HD13 LEU 100 HD13 LEU 100 5.478 5.176 -0.070 770 HD21 LEU 100 HD21 LEU 100 8.305 7.570 -0.729 771 HD22 LEU 100 HD22 LEU 100 6.888 6.833 -1.477 772 HD23 LEU 100 HD23 LEU 100 8.328 5.862 -1.167 773 H ALA 101 HN ALA 101 6.860 9.738 2.999 774 HA ALA 101 HA ALA 101 9.492 9.217 3.859 775 HB1 ALA 101 HB1 ALA 101 8.811 11.352 2.892 776 HB2 ALA 101 HB2 ALA 101 9.549 11.581 4.478 777 HB3 ALA 101 HB3 ALA 101 7.798 11.671 4.298 778 H ALA 102 HN ALA 102 6.483 9.788 5.603 779 HA ALA 102 HA ALA 102 7.577 10.000 8.184 780 HB1 ALA 102 HB1 ALA 102 5.304 9.545 8.981 781 HB2 ALA 102 HB2 ALA 102 4.836 9.054 7.352 782 HB3 ALA 102 HB3 ALA 102 5.312 10.722 7.666 783 H TRP 103 HN TRP 103 6.533 7.225 6.277 784 HA TRP 103 HA TRP 103 6.793 5.329 8.379 785 HB2 TRP 103 HB2 TRP 103 6.771 4.967 5.372 786 HB3 TRP 103 HB1 TRP 103 6.781 3.629 6.519 787 HD1 TRP 103 HD1 TRP 103 4.621 4.912 8.574 788 HE1 TRP 103 HE1 TRP 103 2.144 4.949 7.875 789 HE3 TRP 103 HE3 TRP 103 5.200 4.422 3.528 790 HZ2 TRP 103 HZ2 TRP 103 0.641 4.795 5.496 791 HZ3 TRP 103 HZ3 TRP 103 3.194 4.376 2.108 792 HH2 TRP 103 HH2 TRP 103 0.960 4.558 3.074 793 H GLU 104 HN GLU 104 9.017 6.590 5.954 794 HA GLU 104 HA GLU 104 11.068 4.718 6.199 795 HB2 GLU 104 HB2 GLU 104 11.303 7.695 5.733 796 HB3 GLU 104 HB1 GLU 104 12.607 6.543 5.509 797 HG2 GLU 104 HG2 GLU 104 11.140 5.386 3.821 798 HG3 GLU 104 HG1 GLU 104 10.064 6.785 3.932 799 H ASN 105 HN ASN 105 10.560 7.717 7.995 800 HA ASN 105 HA ASN 105 12.879 7.444 9.597 801 HB2 ASN 105 HB2 ASN 105 11.738 9.603 9.137 802 HB3 ASN 105 HB1 ASN 105 10.395 9.084 10.148 803 HD21 ASN 105 HD21 ASN 105 13.783 8.444 10.848 804 HD22 ASN 105 HD22 ASN 105 13.864 9.443 12.258 805 H ALA 106 HN ALA 106 9.534 6.441 10.047 806 HA ALA 106 HA ALA 106 9.891 5.914 12.854 807 HB1 ALA 106 HB1 ALA 106 7.746 6.697 11.954 808 HB2 ALA 106 HB2 ALA 106 7.584 5.166 12.812 809 HB3 ALA 106 HB3 ALA 106 7.588 5.193 11.050 810 H ARG 107 HN ARG 107 9.708 3.959 9.912 811 HA ARG 107 HA ARG 107 9.771 1.547 11.583 812 HB2 ARG 107 HB2 ARG 107 9.132 1.762 8.643 813 HB3 ARG 107 HB1 ARG 107 8.956 0.328 9.643 814 HG2 ARG 107 HG2 ARG 107 7.415 2.903 9.944 815 HG3 ARG 107 HG1 ARG 107 6.810 1.402 9.248 816 HD2 ARG 107 HD2 ARG 107 7.753 1.734 12.102 817 HD3 ARG 107 HD1 ARG 107 6.070 1.745 11.586 818 HE ARG 107 HE ARG 107 7.659 -0.619 10.937 819 HH11 ARG 107 HH11 ARG 107 5.308 0.888 13.058 820 HH12 ARG 107 HH12 ARG 107 4.644 -0.623 13.596 821 HH21 ARG 107 HH21 ARG 107 6.801 -2.606 11.671 822 HH22 ARG 107 HH22 ARG 107 5.487 -2.606 12.806 823 H GLY 108 HN GLY 108 11.982 3.417 10.051 824 HA2 GLY 108 HA2 GLY 108 14.227 3.014 9.654 825 HA3 GLY 108 HA1 GLY 108 13.976 1.369 10.228 826 H VAL 109 HN VAL 109 12.669 3.229 7.522 827 HA VAL 109 HA VAL 109 13.485 1.038 5.729 828 HB VAL 109 HB VAL 109 10.964 2.707 5.553 829 HG11 VAL 109 HG11 VAL 109 11.860 2.200 3.336 830 HG12 VAL 109 HG12 VAL 109 10.360 1.324 3.644 831 HG13 VAL 109 HG13 VAL 109 11.906 0.485 3.749 832 HG21 VAL 109 HG21 VAL 109 10.830 0.994 7.282 833 HG22 VAL 109 HG22 VAL 109 11.320 -0.231 6.113 834 HG23 VAL 109 HG23 VAL 109 9.780 0.603 5.920 835 H ASP 110 HN ASP 110 14.501 1.643 3.843 836 HA ASP 110 HA ASP 110 14.761 4.545 3.370 837 HB2 ASP 110 HB2 ASP 110 16.828 3.409 4.355 838 HB3 ASP 110 HB1 ASP 110 16.948 2.520 2.837 839 H PHE 111 HN PHE 111 13.358 4.733 1.673 840 HA PHE 111 HA PHE 111 13.160 2.742 -0.365 841 HB2 PHE 111 HB2 PHE 111 12.018 5.518 -0.114 842 HB3 PHE 111 HB1 PHE 111 11.743 4.510 -1.530 843 HD1 PHE 111 HD1 PHE 111 10.495 2.389 -1.314 844 HD2 PHE 111 HD2 PHE 111 10.880 5.110 1.931 845 HE1 PHE 111 HE1 PHE 111 8.640 1.269 -0.160 846 HE2 PHE 111 HE2 PHE 111 9.025 3.993 3.095 847 HZ PHE 111 HZ PHE 111 7.899 2.067 2.050 848 H GLY 112 HN GLY 112 15.294 5.353 0.126 849 HA2 GLY 112 HA2 GLY 112 15.969 5.750 -2.642 850 HA3 GLY 112 HA1 GLY 112 16.897 6.302 -1.251 851 H SER 113 HN SER 113 17.197 3.821 0.023 852 HA SER 113 HA SER 113 19.307 2.666 -1.593 853 HB2 SER 113 HB2 SER 113 19.751 3.101 0.764 854 HB3 SER 113 HB1 SER 113 18.377 2.103 1.237 855 HG SER 113 HG SER 113 19.533 0.369 0.977 856 H ARG 114 HN ARG 114 16.053 2.073 -0.850 857 HA ARG 114 HA ARG 114 14.549 0.497 -1.452 858 HB2 ARG 114 HB2 ARG 114 16.782 -0.678 -3.119 859 HB3 ARG 114 HB1 ARG 114 15.063 -1.034 -3.279 860 HG2 ARG 114 HG2 ARG 114 14.599 1.189 -4.013 861 HG3 ARG 114 HG1 ARG 114 16.244 1.707 -3.651 862 HD2 ARG 114 HD2 ARG 114 16.963 -0.086 -5.342 863 HD3 ARG 114 HD1 ARG 114 15.275 -0.081 -5.851 864 HE ARG 114 HE ARG 114 15.967 2.545 -5.878 865 HH11 ARG 114 HH11 ARG 114 17.180 -0.342 -7.442 866 HH12 ARG 114 HH12 ARG 114 17.935 0.525 -8.743 867 HH21 ARG 114 HH21 ARG 114 16.942 3.688 -7.586 868 HH22 ARG 114 HH22 ARG 114 17.791 2.823 -8.825 869 H THR 115 HN THR 115 16.331 0.230 0.823 870 HA THR 115 HA THR 115 15.969 -2.638 1.325 871 HB THR 115 HB THR 115 18.060 -2.514 2.763 872 HG1 THR 115 HG1 THR 115 19.059 -0.659 2.871 873 HG21 THR 115 HG21 THR 115 19.608 -2.814 0.871 874 HG22 THR 115 HG22 THR 115 18.392 -2.143 -0.216 875 HG23 THR 115 HG23 THR 115 18.085 -3.667 0.617 876 H GLN 116 HN GLN 116 16.293 -2.961 3.857 877 HA GLN 116 HA GLN 116 15.247 -0.668 5.323 878 HB2 GLN 116 HB2 GLN 116 13.534 -2.092 6.423 879 HB3 GLN 116 HB1 GLN 116 13.247 -1.874 4.705 880 HG2 GLN 116 HG2 GLN 116 14.080 -4.085 4.234 881 HG3 GLN 116 HG1 GLN 116 14.531 -4.310 5.924 882 HE21 GLN 116 HE21 GLN 116 12.121 -3.013 6.925 883 HE22 GLN 116 HE22 GLN 116 10.838 -4.139 6.687 884 H ALA 117 HN ALA 117 15.751 -0.625 7.487 885 HA ALA 117 HA ALA 117 17.966 -2.313 8.281 886 HB1 ALA 117 HB1 ALA 117 16.605 -0.069 9.767 887 HB2 ALA 117 HB2 ALA 117 18.010 0.104 8.717 888 HB3 ALA 117 HB3 ALA 117 18.132 -0.833 10.206 889 H ASP 118 HN ASP 118 14.649 -2.410 8.490 890 HA ASP 118 HA ASP 118 14.521 -3.797 11.043 891 HB2 ASP 118 HB2 ASP 118 12.757 -2.122 10.122 892 HB3 ASP 118 HB1 ASP 118 12.228 -3.470 9.115 893 H ALA 119 HN ALA 119 13.070 -5.861 10.976 894 HA ALA 119 HA ALA 119 14.339 -7.730 9.192 895 HB1 ALA 119 HB1 ALA 119 12.123 -8.153 11.200 896 HB2 ALA 119 HB2 ALA 119 13.846 -8.357 11.508 897 HB3 ALA 119 HB3 ALA 119 13.020 -9.424 10.373 898 H LEU 120 HN LEU 120 11.122 -6.320 9.611 899 HA LEU 120 HA LEU 120 10.374 -6.728 6.906 900 HB2 LEU 120 HB2 LEU 120 10.120 -9.044 7.769 901 HB3 LEU 120 HB1 LEU 120 9.031 -8.452 8.999 902 HG LEU 120 HG LEU 120 7.435 -7.780 7.243 903 HD11 LEU 120 HD11 LEU 120 7.795 -8.647 4.958 904 HD12 LEU 120 HD12 LEU 120 9.448 -9.060 5.412 905 HD13 LEU 120 HD13 LEU 120 8.927 -7.377 5.412 906 HD21 LEU 120 HD21 LEU 120 8.318 -10.658 7.126 907 HD22 LEU 120 HD22 LEU 120 6.745 -10.042 6.621 908 HD23 LEU 120 HD23 LEU 120 7.225 -9.952 8.315 909 H VAL 121 HN VAL 121 8.642 -5.338 6.428 910 HA VAL 121 HA VAL 121 7.547 -3.984 8.799 911 HB VAL 121 HB VAL 121 9.058 -2.483 7.715 912 HG11 VAL 121 HG11 VAL 121 8.874 -1.766 5.423 913 HG12 VAL 121 HG12 VAL 121 7.481 -2.814 5.176 914 HG13 VAL 121 HG13 VAL 121 9.066 -3.518 5.486 915 HG21 VAL 121 HG21 VAL 121 6.209 -1.719 7.113 916 HG22 VAL 121 HG22 VAL 121 7.572 -0.603 7.198 917 HG23 VAL 121 HG23 VAL 121 7.060 -1.482 8.638 918 H LEU 122 HN LEU 122 5.695 -5.084 9.005 919 HA LEU 122 HA LEU 122 3.767 -4.957 6.780 920 HB2 LEU 122 HB2 LEU 122 3.542 -6.584 9.313 921 HB3 LEU 122 HB1 LEU 122 2.557 -6.730 7.873 922 HG LEU 122 HG LEU 122 5.474 -7.483 8.122 923 HD11 LEU 122 HD11 LEU 122 4.665 -9.762 7.785 924 HD12 LEU 122 HD12 LEU 122 3.003 -9.174 7.773 925 HD13 LEU 122 HD13 LEU 122 3.974 -9.042 9.239 926 HD21 LEU 122 HD21 LEU 122 3.618 -7.714 5.759 927 HD22 LEU 122 HD22 LEU 122 5.248 -8.378 5.860 928 HD23 LEU 122 HD23 LEU 122 5.005 -6.633 5.894 929 H LEU 123 HN LEU 123 2.676 -3.076 6.939 930 HA LEU 123 HA LEU 123 2.119 -1.995 9.599 931 HB2 LEU 123 HB2 LEU 123 1.772 -0.693 6.901 932 HB3 LEU 123 HB1 LEU 123 1.621 0.096 8.459 933 HG LEU 123 HG LEU 123 4.154 -1.042 7.287 934 HD11 LEU 123 HD11 LEU 123 3.405 1.022 6.211 935 HD12 LEU 123 HD12 LEU 123 4.867 1.282 7.161 936 HD13 LEU 123 HD13 LEU 123 3.304 1.805 7.788 937 HD21 LEU 123 HD21 LEU 123 4.116 -1.275 9.717 938 HD22 LEU 123 HD22 LEU 123 3.698 0.431 9.877 939 HD23 LEU 123 HD23 LEU 123 5.263 -0.038 9.213 940 H GLY 124 HN GLY 124 0.276 -2.542 10.489 941 HA2 GLY 124 HA2 GLY 124 -2.114 -2.821 8.802 942 HA3 GLY 124 HA1 GLY 124 -1.930 -3.479 10.420 943 H GLY 125 HN GLY 125 -4.172 -2.031 9.690 944 HA2 GLY 125 HA2 GLY 125 -5.529 -0.458 10.641 945 HA3 GLY 125 HA1 GLY 125 -4.262 -0.183 11.823 946 H LEU 126 HN LEU 126 -3.708 0.305 8.382 947 HA LEU 126 HA LEU 126 -3.004 3.021 8.802 948 HB2 LEU 126 HB2 LEU 126 -3.284 1.282 6.409 949 HB3 LEU 126 HB1 LEU 126 -3.314 3.019 6.163 950 HG LEU 126 HG LEU 126 -1.108 3.164 7.320 951 HD11 LEU 126 HD11 LEU 126 -1.229 1.115 8.619 952 HD12 LEU 126 HD12 LEU 126 0.198 1.124 7.585 953 HD13 LEU 126 HD13 LEU 126 -1.208 0.160 7.136 954 HD21 LEU 126 HD21 LEU 126 -1.293 3.140 4.887 955 HD22 LEU 126 HD22 LEU 126 -1.215 1.377 4.895 956 HD23 LEU 126 HD23 LEU 126 0.173 2.325 5.430 957 H ASP 127 HN ASP 127 -4.054 4.866 8.455 958 HA ASP 127 HA ASP 127 -6.964 4.693 8.052 959 HB2 ASP 127 HB2 ASP 127 -5.419 7.044 9.191 960 HB3 ASP 127 HB1 ASP 127 -7.156 6.765 9.267 961 H PHE 128 HN PHE 128 -7.963 6.328 6.700 962 HA PHE 128 HA PHE 128 -6.163 7.300 4.598 963 HB2 PHE 128 HB2 PHE 128 -9.173 7.044 4.699 964 HB3 PHE 128 HB1 PHE 128 -8.306 7.800 3.367 965 HD1 PHE 128 HD1 PHE 128 -6.897 6.456 1.881 966 HD2 PHE 128 HD2 PHE 128 -9.196 4.669 4.989 967 HE1 PHE 128 HE1 PHE 128 -6.612 4.257 0.825 968 HE2 PHE 128 HE2 PHE 128 -8.912 2.463 3.937 969 HZ PHE 128 HZ PHE 128 -7.597 2.254 1.854 970 H GLU 129 HN GLU 129 -6.281 8.489 7.212 971 HA GLU 129 HA GLU 129 -7.710 10.990 6.934 972 HB2 GLU 129 HB2 GLU 129 -7.324 9.616 9.106 973 HB3 GLU 129 HB1 GLU 129 -5.715 10.313 9.088 974 HG2 GLU 129 HG2 GLU 129 -8.243 11.939 9.099 975 HG3 GLU 129 HG1 GLU 129 -7.363 11.473 10.550 976 H ALA 130 HN ALA 130 -6.847 12.355 5.512 977 HA ALA 130 HA ALA 130 -3.934 12.769 5.555 978 HB1 ALA 130 HB1 ALA 130 -4.095 13.435 3.206 979 HB2 ALA 130 HB2 ALA 130 -5.826 13.102 3.228 980 HB3 ALA 130 HB3 ALA 130 -4.672 11.786 3.447 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -24.434 0.980 8.366 2 H2 GLY 1 HT2 GLY 1 -25.466 1.818 7.326 3 H3 GLY 1 HT3 GLY 1 -24.216 0.875 6.693 4 HA2 GLY 1 HA1 GLY 1 -26.550 -0.146 8.206 5 HA3 GLY 1 HA2 GLY 1 -26.359 -0.227 6.462 6 H ALA 2 HN ALA 2 -24.954 -1.717 5.560 7 HA ALA 2 HA ALA 2 -24.416 -4.016 7.225 8 HB1 ALA 2 HB1 ALA 2 -23.867 -3.583 4.288 9 HB2 ALA 2 HB2 ALA 2 -25.340 -4.279 4.962 10 HB3 ALA 2 HB3 ALA 2 -23.803 -5.122 5.145 11 H MET 3 HN MET 3 -22.486 -4.658 7.990 12 HA MET 3 HA MET 3 -20.005 -3.652 6.947 13 HB2 MET 3 HB2 MET 3 -19.265 -2.604 9.071 14 HB3 MET 3 HB1 MET 3 -20.618 -1.748 8.343 15 HG2 MET 3 HG2 MET 3 -22.147 -2.813 9.920 16 HG3 MET 3 HG1 MET 3 -20.798 -3.695 10.636 17 HE1 MET 3 HE1 MET 3 -21.587 -2.780 13.013 18 HE2 MET 3 HE2 MET 3 -22.880 -1.832 12.278 19 HE3 MET 3 HE3 MET 3 -21.754 -1.067 13.399 20 H GLY 4 HN GLY 4 -18.264 -4.287 8.918 21 HA2 GLY 4 HA2 GLY 4 -17.480 -6.003 10.302 22 HA3 GLY 4 HA1 GLY 4 -18.975 -6.885 10.021 23 H MET 5 HN MET 5 -19.238 -8.007 8.020 24 HA MET 5 HA MET 5 -16.674 -8.710 6.740 25 HB2 MET 5 HB2 MET 5 -19.251 -10.298 6.896 26 HB3 MET 5 HB1 MET 5 -17.804 -10.807 6.046 27 HG2 MET 5 HG2 MET 5 -16.583 -10.952 8.121 28 HG3 MET 5 HG1 MET 5 -17.965 -10.311 9.010 29 HE1 MET 5 HE1 MET 5 -20.178 -11.573 9.435 30 HE2 MET 5 HE2 MET 5 -20.566 -13.171 8.804 31 HE3 MET 5 HE3 MET 5 -20.451 -11.796 7.707 32 H SER 6 HN SER 6 -16.444 -7.681 4.846 33 HA SER 6 HA SER 6 -18.833 -7.391 3.167 34 HB2 SER 6 HB2 SER 6 -17.727 -5.202 2.390 35 HB3 SER 6 HB1 SER 6 -18.485 -5.212 3.979 36 HG SER 6 HG SER 6 -16.469 -4.271 4.155 37 HA PRO 7 HA PRO 7 -15.510 -9.726 0.883 38 HB2 PRO 7 HB2 PRO 7 -17.900 -11.020 -0.272 39 HB3 PRO 7 HB1 PRO 7 -16.450 -11.752 0.415 40 HG2 PRO 7 HG2 PRO 7 -18.785 -11.816 1.715 41 HG3 PRO 7 HG1 PRO 7 -17.248 -11.631 2.580 42 HD2 PRO 7 HD2 PRO 7 -19.299 -9.560 1.884 43 HD3 PRO 7 HD1 PRO 7 -18.356 -9.752 3.377 44 H ASP 8 HN ASP 8 -18.581 -8.375 -0.196 45 HA ASP 8 HA ASP 8 -17.869 -8.132 -2.935 46 HB2 ASP 8 HB2 ASP 8 -19.966 -6.734 -1.269 47 HB3 ASP 8 HB1 ASP 8 -19.771 -6.453 -2.995 48 H THR 9 HN THR 9 -17.871 -5.852 -0.236 49 HA THR 9 HA THR 9 -16.838 -3.637 -1.580 50 HB THR 9 HB THR 9 -16.327 -4.368 1.303 51 HG1 THR 9 HG1 THR 9 -18.316 -3.082 1.611 52 HG21 THR 9 HG21 THR 9 -15.058 -2.449 0.412 53 HG22 THR 9 HG22 THR 9 -16.214 -1.974 1.653 54 HG23 THR 9 HG23 THR 9 -16.575 -1.681 -0.048 55 H ALA 10 HN ALA 10 -15.215 -6.263 0.140 56 HA ALA 10 HA ALA 10 -12.600 -5.231 -0.053 57 HB1 ALA 10 HB1 ALA 10 -13.431 -8.115 0.203 58 HB2 ALA 10 HB2 ALA 10 -13.280 -6.976 1.541 59 HB3 ALA 10 HB3 ALA 10 -11.856 -7.431 0.607 60 H ARG 11 HN ARG 11 -14.465 -7.366 -2.149 61 HA ARG 11 HA ARG 11 -12.344 -7.955 -3.947 62 HB2 ARG 11 HB2 ARG 11 -14.266 -9.409 -3.845 63 HB3 ARG 11 HB1 ARG 11 -15.344 -8.088 -4.270 64 HG2 ARG 11 HG2 ARG 11 -14.371 -7.973 -6.487 65 HG3 ARG 11 HG1 ARG 11 -13.221 -9.245 -6.066 66 HD2 ARG 11 HD2 ARG 11 -14.992 -10.838 -5.807 67 HD3 ARG 11 HD1 ARG 11 -16.214 -9.584 -6.000 68 HE ARG 11 HE ARG 11 -14.639 -9.575 -8.294 69 HH11 ARG 11 HH11 ARG 11 -16.802 -11.777 -6.647 70 HH12 ARG 11 HH12 ARG 11 -17.375 -12.513 -8.110 71 HH21 ARG 11 HH21 ARG 11 -15.387 -10.538 -10.225 72 HH22 ARG 11 HH22 ARG 11 -16.571 -11.805 -10.150 73 H ARG 12 HN ARG 12 -14.789 -5.453 -3.762 74 HA ARG 12 HA ARG 12 -14.357 -4.312 -6.307 75 HB2 ARG 12 HB2 ARG 12 -16.346 -3.936 -4.829 76 HB3 ARG 12 HB1 ARG 12 -15.328 -2.942 -3.800 77 HG2 ARG 12 HG2 ARG 12 -15.046 -1.311 -5.505 78 HG3 ARG 12 HG1 ARG 12 -15.803 -2.357 -6.709 79 HD2 ARG 12 HD2 ARG 12 -17.163 -1.202 -4.277 80 HD3 ARG 12 HD1 ARG 12 -17.338 -0.613 -5.929 81 HE ARG 12 HE ARG 12 -18.326 -2.805 -6.469 82 HH11 ARG 12 HH11 ARG 12 -18.305 -1.763 -3.122 83 HH12 ARG 12 HH12 ARG 12 -19.651 -2.759 -2.676 84 HH21 ARG 12 HH21 ARG 12 -20.095 -4.123 -5.868 85 HH22 ARG 12 HH22 ARG 12 -20.669 -4.094 -4.229 86 H PHE 13 HN PHE 13 -12.899 -3.778 -3.142 87 HA PHE 13 HA PHE 13 -11.309 -1.552 -3.873 88 HB2 PHE 13 HB2 PHE 13 -11.777 -2.333 -1.507 89 HB3 PHE 13 HB1 PHE 13 -10.643 -3.643 -1.783 90 HD1 PHE 13 HD2 PHE 13 -8.254 -3.213 -1.938 91 HD2 PHE 13 HD1 PHE 13 -11.014 -0.055 -1.212 92 HE1 PHE 13 HE2 PHE 13 -6.401 -1.764 -1.228 93 HE2 PHE 13 HE1 PHE 13 -9.164 1.399 -0.502 94 HZ PHE 13 HZ PHE 13 -6.853 0.548 -0.508 95 H ASP 14 HN ASP 14 -10.825 -5.024 -3.949 96 HA ASP 14 HA ASP 14 -8.134 -5.125 -4.686 97 HB2 ASP 14 HB2 ASP 14 -9.087 -7.143 -3.979 98 HB3 ASP 14 HB1 ASP 14 -10.465 -6.977 -5.057 99 H THR 15 HN THR 15 -11.018 -4.711 -6.641 100 HA THR 15 HA THR 15 -9.480 -5.034 -9.084 101 HB THR 15 HB THR 15 -11.863 -4.595 -10.077 102 HG1 THR 15 HG1 THR 15 -12.597 -5.583 -7.514 103 HG21 THR 15 HG21 THR 15 -12.372 -6.970 -9.856 104 HG22 THR 15 HG22 THR 15 -11.222 -7.106 -8.527 105 HG23 THR 15 HG23 THR 15 -10.651 -6.733 -10.153 106 H GLU 16 HN GLU 16 -11.285 -2.481 -7.404 107 HA GLU 16 HA GLU 16 -10.846 -0.676 -9.651 108 HB2 GLU 16 HB2 GLU 16 -13.070 -0.873 -8.537 109 HB3 GLU 16 HB1 GLU 16 -12.358 -0.188 -7.084 110 HG2 GLU 16 HG2 GLU 16 -13.513 1.546 -8.228 111 HG3 GLU 16 HG1 GLU 16 -11.782 1.841 -8.399 112 H PHE 17 HN PHE 17 -9.942 -0.907 -6.216 113 HA PHE 17 HA PHE 17 -8.682 1.730 -6.426 114 HB2 PHE 17 HB2 PHE 17 -9.431 0.049 -4.038 115 HB3 PHE 17 HB1 PHE 17 -8.506 1.538 -3.913 116 HD1 PHE 17 HD2 PHE 17 -11.781 0.125 -4.911 117 HD2 PHE 17 HD1 PHE 17 -9.562 3.649 -4.017 118 HE1 PHE 17 HE2 PHE 17 -13.869 1.420 -4.847 119 HE2 PHE 17 HE1 PHE 17 -11.651 4.948 -3.953 120 HZ PHE 17 HZ PHE 17 -13.806 3.834 -4.366 121 H ALA 18 HN ALA 18 -7.860 -1.586 -5.422 122 HA ALA 18 HA ALA 18 -5.340 -1.022 -4.399 123 HB1 ALA 18 HB1 ALA 18 -6.162 -3.609 -5.696 124 HB2 ALA 18 HB2 ALA 18 -6.565 -3.132 -4.049 125 HB3 ALA 18 HB3 ALA 18 -4.880 -3.370 -4.510 126 HA PRO 19 HA PRO 19 -3.423 -2.084 -8.786 127 HB2 PRO 19 HB2 PRO 19 -5.642 -1.074 -10.495 128 HB3 PRO 19 HB1 PRO 19 -4.555 -2.448 -10.756 129 HG2 PRO 19 HG2 PRO 19 -7.072 -2.863 -10.041 130 HG3 PRO 19 HG1 PRO 19 -5.769 -3.839 -9.338 131 HD2 PRO 19 HD2 PRO 19 -7.247 -1.519 -8.149 132 HD3 PRO 19 HD1 PRO 19 -6.775 -3.056 -7.397 133 H ARG 20 HN ARG 20 -5.641 0.558 -8.176 134 HA ARG 20 HA ARG 20 -4.214 2.499 -9.703 135 HB2 ARG 20 HB2 ARG 20 -6.629 2.705 -9.172 136 HB3 ARG 20 HB1 ARG 20 -6.222 2.902 -7.475 137 HG2 ARG 20 HG2 ARG 20 -5.067 4.972 -7.960 138 HG3 ARG 20 HG1 ARG 20 -5.378 4.764 -9.684 139 HD2 ARG 20 HD2 ARG 20 -7.777 4.896 -9.278 140 HD3 ARG 20 HD1 ARG 20 -7.488 5.057 -7.547 141 HE ARG 20 HE ARG 20 -6.194 7.064 -9.169 142 HH11 ARG 20 HH11 ARG 20 -9.113 6.189 -7.451 143 HH12 ARG 20 HH12 ARG 20 -9.616 7.831 -7.208 144 HH21 ARG 20 HH21 ARG 20 -6.864 9.232 -8.870 145 HH22 ARG 20 HH22 ARG 20 -8.329 9.569 -7.988 146 H ILE 21 HN ILE 21 -4.284 1.509 -6.326 147 HA ILE 21 HA ILE 21 -2.522 3.507 -5.352 148 HB ILE 21 HB ILE 21 -3.029 0.737 -4.243 149 HG12 ILE 21 HG12 ILE 21 -4.308 3.376 -3.500 150 HG13 ILE 21 HG11 ILE 21 -5.074 2.143 -4.496 151 HG21 ILE 21 HG21 ILE 21 -1.944 3.193 -2.863 152 HG22 ILE 21 HG22 ILE 21 -0.979 1.815 -3.384 153 HG23 ILE 21 HG23 ILE 21 -2.204 1.608 -2.135 154 HD11 ILE 21 HD11 ILE 21 -4.960 0.581 -2.592 155 HD12 ILE 21 HD12 ILE 21 -5.911 2.024 -2.243 156 HD13 ILE 21 HD13 ILE 21 -4.274 1.872 -1.604 157 H ALA 22 HN ALA 22 -2.046 0.173 -6.441 158 HA ALA 22 HA ALA 22 0.673 -0.060 -5.851 159 HB1 ALA 22 HB1 ALA 22 -0.789 -1.959 -6.394 160 HB2 ALA 22 HB2 ALA 22 0.679 -1.952 -7.372 161 HB3 ALA 22 HB3 ALA 22 -0.848 -1.417 -8.071 162 H ARG 23 HN ARG 23 -0.928 1.067 -8.799 163 HA ARG 23 HA ARG 23 1.468 1.392 -10.280 164 HB2 ARG 23 HB2 ARG 23 -1.294 2.548 -10.624 165 HB3 ARG 23 HB1 ARG 23 0.022 2.887 -11.736 166 HG2 ARG 23 HG2 ARG 23 0.216 0.472 -12.197 167 HG3 ARG 23 HG1 ARG 23 -1.173 0.190 -11.141 168 HD2 ARG 23 HD2 ARG 23 -1.809 0.276 -13.519 169 HD3 ARG 23 HD1 ARG 23 -2.573 1.553 -12.574 170 HE ARG 23 HE ARG 23 -0.099 2.293 -13.881 171 HH11 ARG 23 HH11 ARG 23 -3.589 2.186 -14.119 172 HH12 ARG 23 HH12 ARG 23 -3.673 3.457 -15.293 173 HH21 ARG 23 HH21 ARG 23 -0.202 3.968 -15.413 174 HH22 ARG 23 HH22 ARG 23 -1.742 4.475 -16.030 175 H ALA 24 HN ALA 24 -0.436 3.553 -8.246 176 HA ALA 24 HA ALA 24 0.901 5.944 -8.888 177 HB1 ALA 24 HB1 ALA 24 -0.066 6.836 -6.844 178 HB2 ALA 24 HB2 ALA 24 -0.457 5.205 -6.299 179 HB3 ALA 24 HB3 ALA 24 -1.257 5.875 -7.721 180 H ILE 25 HN ILE 25 1.437 3.565 -6.324 181 HA ILE 25 HA ILE 25 3.591 4.881 -5.082 182 HB ILE 25 HB ILE 25 2.982 1.918 -5.190 183 HG12 ILE 25 HG12 ILE 25 2.287 4.005 -3.103 184 HG13 ILE 25 HG11 ILE 25 1.155 3.282 -4.242 185 HG21 ILE 25 HG21 ILE 25 4.776 3.472 -3.324 186 HG22 ILE 25 HG22 ILE 25 5.289 2.305 -4.542 187 HG23 ILE 25 HG23 ILE 25 4.348 1.770 -3.150 188 HD11 ILE 25 HD11 ILE 25 2.672 1.812 -2.099 189 HD12 ILE 25 HD12 ILE 25 1.515 1.100 -3.223 190 HD13 ILE 25 HD13 ILE 25 0.974 2.283 -2.030 191 H ALA 26 HN ALA 26 3.503 2.359 -7.580 192 HA ALA 26 HA ALA 26 6.269 1.984 -7.818 193 HB1 ALA 26 HB1 ALA 26 4.144 1.622 -9.926 194 HB2 ALA 26 HB2 ALA 26 4.616 0.426 -8.718 195 HB3 ALA 26 HB3 ALA 26 5.766 0.930 -9.956 196 H ASP 27 HN ASP 27 4.084 4.271 -9.340 197 HA ASP 27 HA ASP 27 5.971 5.298 -11.211 198 HB2 ASP 27 HB2 ASP 27 3.531 5.505 -11.536 199 HB3 ASP 27 HB1 ASP 27 3.438 6.560 -10.131 200 H LEU 28 HN LEU 28 5.021 6.111 -7.946 201 HA LEU 28 HA LEU 28 6.363 8.623 -7.849 202 HB2 LEU 28 HB2 LEU 28 4.483 8.082 -6.367 203 HB3 LEU 28 HB1 LEU 28 5.415 6.791 -5.639 204 HG LEU 28 HG LEU 28 6.995 8.456 -4.729 205 HD11 LEU 28 HD11 LEU 28 6.346 10.840 -4.774 206 HD12 LEU 28 HD12 LEU 28 5.081 10.445 -5.939 207 HD13 LEU 28 HD13 LEU 28 6.776 10.211 -6.363 208 HD21 LEU 28 HD21 LEU 28 5.494 9.358 -3.029 209 HD22 LEU 28 HD22 LEU 28 5.093 7.679 -3.393 210 HD23 LEU 28 HD23 LEU 28 4.103 8.984 -4.046 211 H LEU 29 HN LEU 29 7.206 5.308 -7.126 212 HA LEU 29 HA LEU 29 9.772 6.036 -5.992 213 HB2 LEU 29 HB2 LEU 29 8.677 3.321 -6.741 214 HB3 LEU 29 HB1 LEU 29 10.128 3.618 -5.804 215 HG LEU 29 HG LEU 29 7.319 4.300 -4.947 216 HD11 LEU 29 HD11 LEU 29 7.729 1.896 -4.992 217 HD12 LEU 29 HD12 LEU 29 7.607 2.490 -3.335 218 HD13 LEU 29 HD13 LEU 29 9.188 2.121 -4.026 219 HD21 LEU 29 HD21 LEU 29 9.971 4.578 -3.555 220 HD22 LEU 29 HD22 LEU 29 8.413 4.669 -2.737 221 HD23 LEU 29 HD23 LEU 29 8.833 5.863 -3.965 222 H ASN 30 HN ASN 30 8.630 6.024 -9.031 223 HA ASN 30 HA ASN 30 9.440 5.745 -11.141 224 HB2 ASN 30 HB2 ASN 30 11.152 7.359 -10.020 225 HB3 ASN 30 HB1 ASN 30 12.226 5.968 -10.016 226 HD21 ASN 30 HD21 ASN 30 12.530 8.476 -11.421 227 HD22 ASN 30 HD22 ASN 30 12.626 8.091 -13.104 228 H HIS 31 HN HIS 31 8.978 3.419 -9.600 229 HA HIS 31 HA HIS 31 9.281 1.184 -9.572 230 HB2 HIS 31 HB2 HIS 31 10.443 1.883 -12.250 231 HB3 HIS 31 HB1 HIS 31 10.448 0.218 -11.677 232 HD1 HIS 31 HD1 HIS 31 8.252 -1.054 -11.726 233 HD2 HIS 31 HD2 HIS 31 7.837 2.949 -12.773 234 HE1 HIS 31 HE1 HIS 31 5.923 -0.829 -12.626 235 HE2 HIS 31 HE2 HIS 31 5.755 1.554 -13.413 236 H ARG 32 HN ARG 32 11.370 2.838 -8.268 237 HA ARG 32 HA ARG 32 13.810 1.387 -8.462 238 HB2 ARG 32 HB2 ARG 32 12.631 3.113 -6.284 239 HB3 ARG 32 HB1 ARG 32 14.184 2.315 -6.096 240 HG2 ARG 32 HG2 ARG 32 13.548 4.239 -8.324 241 HG3 ARG 32 HG1 ARG 32 14.302 4.704 -6.800 242 HD2 ARG 32 HD2 ARG 32 16.031 4.422 -8.411 243 HD3 ARG 32 HD1 ARG 32 16.118 3.071 -7.285 244 HE ARG 32 HE ARG 32 14.706 2.720 -9.831 245 HH11 ARG 32 HH11 ARG 32 17.455 1.985 -7.787 246 HH12 ARG 32 HH12 ARG 32 17.941 0.605 -8.721 247 HH21 ARG 32 HH21 ARG 32 15.356 0.926 -11.074 248 HH22 ARG 32 HH22 ARG 32 16.754 0.014 -10.602 249 H ALA 33 HN ALA 33 10.802 0.891 -6.887 250 HA ALA 33 HA ALA 33 11.700 -1.774 -6.042 251 HB1 ALA 33 HB1 ALA 33 10.216 -1.634 -4.092 252 HB2 ALA 33 HB2 ALA 33 9.802 0.025 -4.523 253 HB3 ALA 33 HB3 ALA 33 11.450 -0.376 -4.039 254 H HIS 34 HN HIS 34 9.832 -3.313 -5.944 255 HA HIS 34 HA HIS 34 7.981 -2.658 -8.139 256 HB2 HIS 34 HB2 HIS 34 9.495 -4.564 -8.571 257 HB3 HIS 34 HB1 HIS 34 8.897 -5.368 -7.123 258 HD1 HIS 34 HD1 HIS 34 7.808 -4.388 -10.607 259 HD2 HIS 34 HD2 HIS 34 6.542 -6.769 -7.435 260 HE1 HIS 34 HE1 HIS 34 5.883 -5.735 -11.494 261 HE2 HIS 34 HE2 HIS 34 5.090 -7.119 -9.544 262 H THR 35 HN THR 35 5.804 -2.881 -7.891 263 HA THR 35 HA THR 35 4.910 -3.479 -5.154 264 HB THR 35 HB THR 35 2.897 -2.090 -5.740 265 HG1 THR 35 HG1 THR 35 3.186 -0.661 -7.557 266 HG21 THR 35 HG21 THR 35 4.821 -1.239 -4.430 267 HG22 THR 35 HG22 THR 35 4.022 0.023 -5.368 268 HG23 THR 35 HG23 THR 35 5.550 -0.659 -5.927 269 H ASP 36 HN ASP 36 3.141 -4.794 -4.825 270 HA ASP 36 HA ASP 36 2.028 -6.171 -7.160 271 HB2 ASP 36 HB2 ASP 36 3.899 -7.560 -6.361 272 HB3 ASP 36 HB1 ASP 36 3.219 -7.553 -4.737 273 H VAL 37 HN VAL 37 -0.072 -6.863 -6.903 274 HA VAL 37 HA VAL 37 -1.410 -5.715 -4.562 275 HB VAL 37 HB VAL 37 -2.557 -6.496 -7.247 276 HG11 VAL 37 HG11 VAL 37 -3.851 -5.168 -4.869 277 HG12 VAL 37 HG12 VAL 37 -4.224 -6.765 -5.518 278 HG13 VAL 37 HG13 VAL 37 -4.585 -5.321 -6.464 279 HG21 VAL 37 HG21 VAL 37 -1.121 -4.530 -7.371 280 HG22 VAL 37 HG22 VAL 37 -2.017 -3.779 -6.051 281 HG23 VAL 37 HG23 VAL 37 -2.813 -4.087 -7.594 282 H VAL 38 HN VAL 38 -1.658 -7.156 -3.012 283 HA VAL 38 HA VAL 38 -2.308 -9.920 -3.526 284 HB VAL 38 HB VAL 38 -2.369 -8.378 -0.929 285 HG11 VAL 38 HG11 VAL 38 -3.748 -10.369 -0.821 286 HG12 VAL 38 HG12 VAL 38 -2.287 -10.578 0.143 287 HG13 VAL 38 HG13 VAL 38 -2.416 -11.344 -1.439 288 HG21 VAL 38 HG21 VAL 38 -0.138 -8.397 -1.881 289 HG22 VAL 38 HG22 VAL 38 -0.226 -10.146 -2.094 290 HG23 VAL 38 HG23 VAL 38 -0.211 -9.455 -0.472 291 H GLY 39 HN GLY 39 -4.284 -10.484 -4.171 292 HA2 GLY 39 HA2 GLY 39 -6.515 -8.686 -3.784 293 HA3 GLY 39 HA1 GLY 39 -6.522 -10.179 -4.713 294 H TYR 40 HN TYR 40 -8.533 -9.303 -2.900 295 HA TYR 40 HA TYR 40 -8.370 -10.528 -0.378 296 HB2 TYR 40 HB2 TYR 40 -10.068 -8.829 -0.942 297 HB3 TYR 40 HB1 TYR 40 -10.824 -9.960 -2.065 298 HD1 TYR 40 HD1 TYR 40 -9.950 -9.550 1.538 299 HD2 TYR 40 HD2 TYR 40 -12.525 -11.385 -1.315 300 HE1 TYR 40 HE1 TYR 40 -11.348 -10.414 3.363 301 HE2 TYR 40 HE2 TYR 40 -13.930 -12.249 0.509 302 HH TYR 40 HH TYR 40 -13.725 -12.796 2.879 303 H GLY 41 HN GLY 41 -8.400 -12.594 0.196 304 HA2 GLY 41 HA2 GLY 41 -9.465 -14.551 -1.745 305 HA3 GLY 41 HA1 GLY 41 -7.959 -14.818 -0.874 306 H GLY 42 HN GLY 42 -11.160 -15.555 -0.967 307 HA2 GLY 42 HA2 GLY 42 -12.581 -16.656 0.447 308 HA3 GLY 42 HA1 GLY 42 -11.125 -17.208 1.257 309 H HIS 43 HN HIS 43 -10.838 -16.607 3.303 310 HA HIS 43 HA HIS 43 -11.933 -14.086 4.254 311 HB2 HIS 43 HB2 HIS 43 -13.694 -15.863 4.642 312 HB3 HIS 43 HB1 HIS 43 -12.550 -16.682 5.701 313 HD1 HIS 43 HD1 HIS 43 -15.222 -14.278 5.750 314 HD2 HIS 43 HD2 HIS 43 -11.780 -14.905 7.996 315 HE1 HIS 43 HE1 HIS 43 -15.576 -13.015 7.890 316 HE2 HIS 43 HE2 HIS 43 -13.438 -13.314 9.187 317 H GLY 44 HN GLY 44 -10.314 -13.119 5.280 318 HA2 GLY 44 HA2 GLY 44 -8.778 -13.169 7.178 319 HA3 GLY 44 HA1 GLY 44 -8.371 -14.813 6.718 320 H HIS 45 HN HIS 45 -8.653 -13.387 3.863 321 HA HIS 45 HA HIS 45 -5.866 -12.421 3.835 322 HB2 HIS 45 HB2 HIS 45 -7.472 -13.745 1.634 323 HB3 HIS 45 HB1 HIS 45 -5.915 -12.971 1.373 324 HD1 HIS 45 HD1 HIS 45 -3.919 -14.405 1.653 325 HD2 HIS 45 HD2 HIS 45 -7.271 -16.030 3.502 326 HE1 HIS 45 HE1 HIS 45 -3.214 -16.680 2.453 327 HE2 HIS 45 HE2 HIS 45 -5.294 -17.694 3.449 328 HA PRO 46 HA PRO 46 -8.467 -8.767 2.944 329 HB2 PRO 46 HB2 PRO 46 -6.904 -6.974 4.232 330 HB3 PRO 46 HB1 PRO 46 -8.062 -8.009 5.085 331 HG2 PRO 46 HG2 PRO 46 -5.097 -8.305 4.802 332 HG3 PRO 46 HG1 PRO 46 -6.121 -8.586 6.222 333 HD2 PRO 46 HD2 PRO 46 -5.190 -10.579 4.590 334 HD3 PRO 46 HD1 PRO 46 -6.673 -10.703 5.555 335 H THR 47 HN THR 47 -8.268 -7.365 1.295 336 HA THR 47 HA THR 47 -6.214 -7.566 -0.581 337 HB THR 47 HB THR 47 -8.057 -5.194 -0.250 338 HG1 THR 47 HG1 THR 47 -9.518 -6.450 -1.561 339 HG21 THR 47 HG21 THR 47 -6.817 -6.472 -2.697 340 HG22 THR 47 HG22 THR 47 -6.313 -4.951 -1.960 341 HG23 THR 47 HG23 THR 47 -7.908 -5.088 -2.701 342 H GLN 48 HN GLN 48 -4.331 -6.466 -0.880 343 HA GLN 48 HA GLN 48 -3.679 -4.097 0.617 344 HB2 GLN 48 HB2 GLN 48 -1.844 -5.113 1.912 345 HB3 GLN 48 HB1 GLN 48 -3.407 -5.774 2.369 346 HG2 GLN 48 HG2 GLN 48 -2.929 -7.707 0.850 347 HG3 GLN 48 HG1 GLN 48 -1.296 -7.073 0.670 348 HE21 GLN 48 HE21 GLN 48 -3.551 -8.649 2.776 349 HE22 GLN 48 HE22 GLN 48 -2.409 -9.084 4.004 350 H VAL 49 HN VAL 49 -1.577 -3.247 0.049 351 HA VAL 49 HA VAL 49 -0.509 -4.480 -2.398 352 HB VAL 49 HB VAL 49 -1.503 -2.321 -2.901 353 HG11 VAL 49 HG11 VAL 49 -1.352 -1.253 -0.730 354 HG12 VAL 49 HG12 VAL 49 -0.594 -0.242 -1.960 355 HG13 VAL 49 HG13 VAL 49 0.406 -1.189 -0.859 356 HG21 VAL 49 HG21 VAL 49 0.459 -2.971 -4.169 357 HG22 VAL 49 HG22 VAL 49 1.510 -2.239 -2.958 358 HG23 VAL 49 HG23 VAL 49 0.441 -1.224 -3.927 359 H ARG 50 HN ARG 50 1.378 -5.363 -2.171 360 HA ARG 50 HA ARG 50 3.116 -4.497 0.017 361 HB2 ARG 50 HB2 ARG 50 4.342 -6.638 -0.431 362 HB3 ARG 50 HB1 ARG 50 2.674 -6.845 0.078 363 HG2 ARG 50 HG2 ARG 50 2.021 -7.219 -2.259 364 HG3 ARG 50 HG1 ARG 50 3.712 -7.057 -2.738 365 HD2 ARG 50 HD2 ARG 50 4.319 -8.989 -1.441 366 HD3 ARG 50 HD1 ARG 50 2.692 -9.104 -0.776 367 HE ARG 50 HE ARG 50 2.518 -9.248 -3.575 368 HH11 ARG 50 HH11 ARG 50 3.730 -11.150 -0.885 369 HH12 ARG 50 HH12 ARG 50 3.488 -12.664 -1.694 370 HH21 ARG 50 HH21 ARG 50 2.207 -11.214 -4.626 371 HH22 ARG 50 HH22 ARG 50 2.626 -12.704 -3.835 372 H ILE 51 HN ILE 51 5.093 -3.694 -0.272 373 HA ILE 51 HA ILE 51 5.984 -3.234 -3.038 374 HB ILE 51 HB ILE 51 6.939 -1.743 -0.586 375 HG12 ILE 51 HG12 ILE 51 4.751 -0.914 -2.508 376 HG13 ILE 51 HG11 ILE 51 4.489 -1.446 -0.852 377 HG21 ILE 51 HG21 ILE 51 8.375 -1.675 -2.581 378 HG22 ILE 51 HG22 ILE 51 7.696 -0.092 -2.206 379 HG23 ILE 51 HG23 ILE 51 7.021 -1.048 -3.523 380 HD11 ILE 51 HD11 ILE 51 5.942 1.028 -1.747 381 HD12 ILE 51 HD12 ILE 51 5.841 0.475 -0.079 382 HD13 ILE 51 HD13 ILE 51 4.375 0.941 -0.942 383 H VAL 52 HN VAL 52 7.562 -4.554 -3.633 384 HA VAL 52 HA VAL 52 9.383 -5.591 -1.569 385 HB VAL 52 HB VAL 52 8.583 -7.000 -4.128 386 HG11 VAL 52 HG11 VAL 52 10.797 -7.618 -3.288 387 HG12 VAL 52 HG12 VAL 52 9.654 -8.952 -3.145 388 HG13 VAL 52 HG13 VAL 52 10.094 -8.014 -1.720 389 HG21 VAL 52 HG21 VAL 52 6.664 -6.843 -2.640 390 HG22 VAL 52 HG22 VAL 52 7.622 -7.497 -1.310 391 HG23 VAL 52 HG23 VAL 52 7.258 -8.501 -2.714 392 H ALA 53 HN ALA 53 11.513 -5.479 -1.931 393 HA ALA 53 HA ALA 53 12.448 -4.505 -4.547 394 HB1 ALA 53 HB1 ALA 53 13.527 -3.654 -1.857 395 HB2 ALA 53 HB2 ALA 53 12.495 -2.671 -2.895 396 HB3 ALA 53 HB3 ALA 53 14.113 -3.124 -3.435 397 HA PRO 54 HA PRO 54 14.444 -8.541 -3.870 398 HB2 PRO 54 HB2 PRO 54 15.416 -7.953 -6.613 399 HB3 PRO 54 HB1 PRO 54 14.584 -9.389 -5.996 400 HG2 PRO 54 HG2 PRO 54 13.322 -7.632 -7.562 401 HG3 PRO 54 HG1 PRO 54 12.487 -8.423 -6.213 402 HD2 PRO 54 HD2 PRO 54 13.592 -5.646 -6.393 403 HD3 PRO 54 HD1 PRO 54 12.083 -6.212 -5.647 404 H HIS 55 HN HIS 55 16.046 -8.021 -2.426 405 HA HIS 55 HA HIS 55 18.556 -7.061 -3.564 406 HB2 HIS 55 HB2 HIS 55 17.448 -5.076 -2.633 407 HB3 HIS 55 HB1 HIS 55 17.273 -5.891 -1.086 408 HD1 HIS 55 HD1 HIS 55 20.014 -4.600 -3.382 409 HD2 HIS 55 HD2 HIS 55 19.373 -5.563 0.614 410 HE1 HIS 55 HE1 HIS 55 22.058 -3.800 -2.149 411 HE2 HIS 55 HE2 HIS 55 21.628 -4.347 0.273 412 H ALA 56 HN ALA 56 18.852 -9.443 -3.321 413 HA ALA 56 HA ALA 56 19.617 -10.223 -0.608 414 HB1 ALA 56 HB1 ALA 56 18.558 -11.912 -2.027 415 HB2 ALA 56 HB2 ALA 56 20.208 -12.380 -1.621 416 HB3 ALA 56 HB3 ALA 56 19.844 -11.731 -3.219 417 H GLU 57 HN GLU 57 20.776 -8.041 -2.229 418 HA GLU 57 HA GLU 57 23.441 -8.878 -2.956 419 HB2 GLU 57 HB2 GLU 57 22.309 -6.080 -2.878 420 HB3 GLU 57 HB1 GLU 57 23.689 -6.649 -3.809 421 HG2 GLU 57 HG2 GLU 57 22.318 -7.829 -5.315 422 HG3 GLU 57 HG1 GLU 57 20.912 -7.697 -4.260 423 H HIS 58 HN HIS 58 25.303 -8.367 -1.883 424 HA HIS 58 HA HIS 58 24.959 -7.315 0.844 425 HB2 HIS 58 HB2 HIS 58 27.053 -9.090 -0.399 426 HB3 HIS 58 HB1 HIS 58 27.349 -8.257 1.120 427 HD1 HIS 58 HD1 HIS 58 26.892 -9.677 3.076 428 HD2 HIS 58 HD2 HIS 58 24.438 -10.665 -0.135 429 HE1 HIS 58 HE1 HIS 58 25.472 -11.592 3.872 430 HE2 HIS 58 HE2 HIS 58 23.905 -12.086 1.961 431 H VAL 59 HN VAL 59 25.215 -5.742 -1.716 432 HA VAL 59 HA VAL 59 27.528 -4.115 -0.898 433 HB VAL 59 HB VAL 59 26.556 -4.408 -3.743 434 HG11 VAL 59 HG11 VAL 59 28.688 -3.304 -4.295 435 HG12 VAL 59 HG12 VAL 59 29.016 -3.116 -2.572 436 HG13 VAL 59 HG13 VAL 59 27.640 -2.291 -3.303 437 HG21 VAL 59 HG21 VAL 59 28.588 -5.736 -4.141 438 HG22 VAL 59 HG22 VAL 59 27.489 -6.526 -3.010 439 HG23 VAL 59 HG23 VAL 59 28.931 -5.707 -2.411 440 H ARG 60 HN ARG 60 26.017 -2.908 0.400 441 HA ARG 60 HA ARG 60 25.231 -0.522 -0.845 442 HB2 ARG 60 HB2 ARG 60 23.342 -2.020 -1.624 443 HB3 ARG 60 HB1 ARG 60 22.865 -2.172 0.062 444 HG2 ARG 60 HG2 ARG 60 21.506 -0.504 -1.003 445 HG3 ARG 60 HG1 ARG 60 22.574 0.277 0.162 446 HD2 ARG 60 HD2 ARG 60 22.463 1.545 -1.926 447 HD3 ARG 60 HD1 ARG 60 24.087 0.927 -1.640 448 HE ARG 60 HE ARG 60 22.573 -0.857 -3.250 449 HH11 ARG 60 HH11 ARG 60 24.333 2.170 -3.378 450 HH12 ARG 60 HH12 ARG 60 24.706 2.021 -5.067 451 HH21 ARG 60 HH21 ARG 60 23.058 -1.040 -5.471 452 HH22 ARG 60 HH22 ARG 60 23.981 0.203 -6.250 453 H GLY 61 HN GLY 61 24.103 -2.598 1.812 454 HA2 GLY 61 HA2 GLY 61 25.321 -1.227 3.900 455 HA3 GLY 61 HA1 GLY 61 23.751 -0.468 3.655 456 H TYR 62 HN TYR 62 21.852 -1.877 3.731 457 HA TYR 62 HA TYR 62 22.278 -4.152 5.541 458 HB2 TYR 62 HB2 TYR 62 19.770 -2.571 4.900 459 HB3 TYR 62 HB1 TYR 62 19.783 -4.027 5.892 460 HD1 TYR 62 HD1 TYR 62 20.755 -0.487 5.726 461 HD2 TYR 62 HD2 TYR 62 20.649 -3.979 8.162 462 HE1 TYR 62 HE1 TYR 62 21.247 0.884 7.706 463 HE2 TYR 62 HE2 TYR 62 21.142 -2.612 10.146 464 HH TYR 62 HH TYR 62 20.895 0.741 10.180 465 H ALA 63 HN ALA 63 21.956 -6.183 4.846 466 HA ALA 63 HA ALA 63 21.283 -6.564 2.045 467 HB1 ALA 63 HB1 ALA 63 22.186 -8.565 4.114 468 HB2 ALA 63 HB2 ALA 63 23.234 -7.708 2.984 469 HB3 ALA 63 HB3 ALA 63 22.040 -8.856 2.380 470 H HIS 64 HN HIS 64 19.165 -5.693 3.656 471 HA HIS 64 HA HIS 64 17.440 -8.072 3.795 472 HB2 HIS 64 HB2 HIS 64 17.232 -5.441 5.286 473 HB3 HIS 64 HB1 HIS 64 15.988 -6.690 5.305 474 HD1 HIS 64 HD1 HIS 64 16.361 -8.701 6.807 475 HD2 HIS 64 HD2 HIS 64 19.604 -6.109 6.700 476 HE1 HIS 64 HE1 HIS 64 17.890 -9.457 8.652 477 HE2 HIS 64 HE2 HIS 64 19.938 -8.006 8.423 478 HA PRO 65 HA PRO 65 15.658 -6.136 0.145 479 HB2 PRO 65 HB2 PRO 65 13.766 -8.384 0.393 480 HB3 PRO 65 HB1 PRO 65 14.798 -7.932 -0.965 481 HG2 PRO 65 HG2 PRO 65 15.316 -10.087 0.552 482 HG3 PRO 65 HG1 PRO 65 16.608 -9.102 -0.156 483 HD2 PRO 65 HD2 PRO 65 15.589 -9.166 2.652 484 HD3 PRO 65 HD1 PRO 65 17.251 -8.979 2.054 485 H LEU 66 HN LEU 66 14.182 -4.593 0.134 486 HA LEU 66 HA LEU 66 12.603 -3.978 2.366 487 HB2 LEU 66 HB2 LEU 66 13.476 -2.450 0.516 488 HB3 LEU 66 HB1 LEU 66 12.119 -3.001 -0.442 489 HG LEU 66 HG LEU 66 11.712 -1.710 2.245 490 HD11 LEU 66 HD11 LEU 66 11.964 -0.365 -0.441 491 HD12 LEU 66 HD12 LEU 66 13.036 -0.160 0.944 492 HD13 LEU 66 HD13 LEU 66 11.368 0.405 1.029 493 HD21 LEU 66 HD21 LEU 66 9.969 -1.948 -0.209 494 HD22 LEU 66 HD22 LEU 66 9.525 -1.157 1.304 495 HD23 LEU 66 HD23 LEU 66 9.807 -2.898 1.268 496 H ASN 67 HN ASN 67 10.709 -4.729 3.007 497 HA ASN 67 HA ASN 67 8.848 -5.893 1.072 498 HB2 ASN 67 HB2 ASN 67 10.322 -7.724 2.015 499 HB3 ASN 67 HB1 ASN 67 9.665 -7.349 3.602 500 HD21 ASN 67 HD21 ASN 67 6.958 -6.941 2.841 501 HD22 ASN 67 HD22 ASN 67 6.313 -8.467 2.353 502 H LEU 68 HN LEU 68 7.469 -4.216 1.407 503 HA LEU 68 HA LEU 68 6.494 -3.798 4.154 504 HB2 LEU 68 HB2 LEU 68 7.486 -1.790 3.265 505 HB3 LEU 68 HB1 LEU 68 6.583 -1.946 1.771 506 HG LEU 68 HG LEU 68 4.484 -1.555 3.070 507 HD11 LEU 68 HD11 LEU 68 6.423 -0.939 5.288 508 HD12 LEU 68 HD12 LEU 68 5.207 -2.217 5.267 509 HD13 LEU 68 HD13 LEU 68 4.710 -0.528 5.294 510 HD21 LEU 68 HD21 LEU 68 5.525 0.239 1.828 511 HD22 LEU 68 HD22 LEU 68 6.587 0.596 3.189 512 HD23 LEU 68 HD23 LEU 68 4.849 0.855 3.334 513 H ALA 69 HN ALA 69 4.466 -4.332 4.585 514 HA ALA 69 HA ALA 69 2.611 -4.700 2.322 515 HB1 ALA 69 HB1 ALA 69 1.364 -6.235 3.720 516 HB2 ALA 69 HB2 ALA 69 2.433 -5.902 5.080 517 HB3 ALA 69 HB3 ALA 69 3.057 -6.727 3.652 518 H LEU 70 HN LEU 70 1.270 -3.070 2.070 519 HA LEU 70 HA LEU 70 0.527 -1.415 4.365 520 HB2 LEU 70 HB2 LEU 70 0.149 -1.027 1.389 521 HB3 LEU 70 HB1 LEU 70 -0.408 0.103 2.608 522 HG LEU 70 HG LEU 70 2.499 -0.638 2.263 523 HD11 LEU 70 HD11 LEU 70 1.686 0.359 0.204 524 HD12 LEU 70 HD12 LEU 70 2.743 1.474 1.069 525 HD13 LEU 70 HD13 LEU 70 0.995 1.701 1.112 526 HD21 LEU 70 HD21 LEU 70 2.838 1.485 3.482 527 HD22 LEU 70 HD22 LEU 70 1.971 0.283 4.436 528 HD23 LEU 70 HD23 LEU 70 1.094 1.618 3.686 529 H THR 71 HN THR 71 -1.238 -2.074 5.417 530 HA THR 71 HA THR 71 -3.509 -3.040 3.804 531 HB THR 71 HB THR 71 -4.274 -4.274 5.815 532 HG1 THR 71 HG1 THR 71 -1.985 -3.050 6.911 533 HG21 THR 71 HG21 THR 71 -1.452 -4.926 4.952 534 HG22 THR 71 HG22 THR 71 -2.942 -5.500 4.204 535 HG23 THR 71 HG23 THR 71 -2.517 -6.019 5.834 536 H TRP 72 HN TRP 72 -5.595 -2.293 4.409 537 HA TRP 72 HA TRP 72 -5.565 0.083 6.141 538 HB2 TRP 72 HB2 TRP 72 -6.874 -0.269 3.442 539 HB3 TRP 72 HB1 TRP 72 -7.375 0.992 4.574 540 HD1 TRP 72 HD1 TRP 72 -5.625 2.983 5.039 541 HE1 TRP 72 HE1 TRP 72 -3.642 3.869 3.664 542 HE3 TRP 72 HE3 TRP 72 -5.012 -0.971 1.853 543 HZ2 TRP 72 HZ2 TRP 72 -2.036 3.014 1.509 544 HZ3 TRP 72 HZ3 TRP 72 -3.228 -0.854 0.163 545 HH2 TRP 72 HH2 TRP 72 -1.771 1.099 0.002 546 H ASN 73 HN ASN 73 -7.434 0.555 7.264 547 HA ASN 73 HA ASN 73 -8.758 -1.617 8.402 548 HB2 ASN 73 HB2 ASN 73 -9.296 1.345 8.403 549 HB3 ASN 73 HB1 ASN 73 -10.339 0.222 9.272 550 HD21 ASN 73 HD21 ASN 73 -8.494 2.366 10.227 551 HD22 ASN 73 HD22 ASN 73 -7.452 1.564 11.357 552 H THR 74 HN THR 74 -10.484 -2.742 7.894 553 HA THR 74 HA THR 74 -11.605 -2.696 5.342 554 HB THR 74 HB THR 74 -12.826 -3.913 7.831 555 HG1 THR 74 HG1 THR 74 -10.477 -4.398 6.789 556 HG21 THR 74 HG21 THR 74 -14.324 -3.891 5.869 557 HG22 THR 74 HG22 THR 74 -13.825 -5.526 6.302 558 HG23 THR 74 HG23 THR 74 -13.081 -4.713 4.926 559 H ASP 75 HN ASP 75 -12.576 -1.041 8.254 560 HA ASP 75 HA ASP 75 -15.181 -0.305 7.361 561 HB2 ASP 75 HB2 ASP 75 -13.370 0.854 9.478 562 HB3 ASP 75 HB1 ASP 75 -14.978 1.492 9.140 563 H GLU 76 HN GLU 76 -12.031 1.293 7.290 564 HA GLU 76 HA GLU 76 -12.750 3.612 5.919 565 HB2 GLU 76 HB2 GLU 76 -10.203 1.993 5.835 566 HB3 GLU 76 HB1 GLU 76 -10.376 3.553 5.048 567 HG2 GLU 76 HG2 GLU 76 -10.821 3.134 7.986 568 HG3 GLU 76 HG1 GLU 76 -9.261 3.570 7.293 569 H ILE 77 HN ILE 77 -11.861 0.410 4.666 570 HA ILE 77 HA ILE 77 -12.050 0.956 1.947 571 HB ILE 77 HB ILE 77 -12.805 -1.622 3.336 572 HG12 ILE 77 HG12 ILE 77 -10.137 -0.656 2.260 573 HG13 ILE 77 HG11 ILE 77 -10.550 -0.903 3.955 574 HG21 ILE 77 HG21 ILE 77 -12.334 -2.704 1.222 575 HG22 ILE 77 HG22 ILE 77 -11.885 -1.161 0.499 576 HG23 ILE 77 HG23 ILE 77 -13.552 -1.453 0.983 577 HD11 ILE 77 HD11 ILE 77 -9.192 -2.726 3.118 578 HD12 ILE 77 HD12 ILE 77 -10.371 -3.046 1.846 579 HD13 ILE 77 HD13 ILE 77 -10.805 -3.303 3.535 580 H GLU 78 HN GLU 78 -14.633 -0.140 4.160 581 HA GLU 78 HA GLU 78 -16.707 -0.131 2.232 582 HB2 GLU 78 HB2 GLU 78 -16.799 -1.261 4.466 583 HB3 GLU 78 HB1 GLU 78 -16.933 0.321 5.217 584 HG2 GLU 78 HG2 GLU 78 -19.105 -0.648 5.107 585 HG3 GLU 78 HG1 GLU 78 -19.037 0.685 3.957 586 H ARG 79 HN ARG 79 -15.385 2.310 4.350 587 HA ARG 79 HA ARG 79 -17.168 4.398 3.997 588 HB2 ARG 79 HB2 ARG 79 -15.348 4.385 5.623 589 HB3 ARG 79 HB1 ARG 79 -14.166 4.442 4.329 590 HG2 ARG 79 HG2 ARG 79 -14.976 6.680 3.716 591 HG3 ARG 79 HG1 ARG 79 -16.109 6.617 5.072 592 HD2 ARG 79 HD2 ARG 79 -14.237 6.326 6.619 593 HD3 ARG 79 HD1 ARG 79 -13.109 6.392 5.270 594 HE ARG 79 HE ARG 79 -14.697 8.725 5.308 595 HH11 ARG 79 HH11 ARG 79 -12.090 7.143 7.033 596 HH12 ARG 79 HH12 ARG 79 -11.395 8.634 7.602 597 HH21 ARG 79 HH21 ARG 79 -13.799 10.693 6.078 598 HH22 ARG 79 HH22 ARG 79 -12.365 10.651 7.059 599 H LEU 80 HN LEU 80 -14.753 3.144 1.810 600 HA LEU 80 HA LEU 80 -14.613 5.448 0.134 601 HB2 LEU 80 HB2 LEU 80 -13.862 2.583 -0.433 602 HB3 LEU 80 HB1 LEU 80 -13.471 3.947 -1.463 603 HG LEU 80 HG LEU 80 -12.459 3.473 1.342 604 HD11 LEU 80 HD11 LEU 80 -10.280 3.275 0.240 605 HD12 LEU 80 HD12 LEU 80 -11.066 3.432 -1.330 606 HD13 LEU 80 HD13 LEU 80 -11.411 2.038 -0.306 607 HD21 LEU 80 HD21 LEU 80 -11.942 5.764 -0.552 608 HD22 LEU 80 HD22 LEU 80 -11.040 5.458 0.930 609 HD23 LEU 80 HD23 LEU 80 -12.757 5.847 1.009 610 H MET 81 HN MET 81 -17.015 3.125 0.543 611 HA MET 81 HA MET 81 -18.014 3.130 -2.145 612 HB2 MET 81 HB2 MET 81 -19.200 2.305 0.497 613 HB3 MET 81 HB1 MET 81 -20.153 2.300 -0.980 614 HG2 MET 81 HG2 MET 81 -17.606 0.752 -0.536 615 HG3 MET 81 HG1 MET 81 -19.246 0.093 -0.457 616 HE1 MET 81 HE1 MET 81 -20.461 0.463 -4.152 617 HE2 MET 81 HE2 MET 81 -20.650 1.685 -2.897 618 HE3 MET 81 HE3 MET 81 -20.882 -0.018 -2.508 619 H GLU 82 HN GLU 82 -18.129 5.284 0.485 620 HA GLU 82 HA GLU 82 -20.411 6.764 -0.539 621 HB2 GLU 82 HB2 GLU 82 -18.480 7.351 1.727 622 HB3 GLU 82 HB1 GLU 82 -19.880 8.337 1.331 623 HG2 GLU 82 HG2 GLU 82 -19.950 5.462 2.214 624 HG3 GLU 82 HG1 GLU 82 -20.289 6.858 3.226 625 H ALA 83 HN ALA 83 -20.221 8.889 -1.394 626 HA ALA 83 HA ALA 83 -18.048 9.296 -3.142 627 HB1 ALA 83 HB1 ALA 83 -19.071 11.462 -3.625 628 HB2 ALA 83 HB2 ALA 83 -20.123 11.286 -2.220 629 HB3 ALA 83 HB3 ALA 83 -20.284 10.183 -3.586 630 H ASP 84 HN ASP 84 -18.779 10.495 0.070 631 HA ASP 84 HA ASP 84 -16.708 12.402 0.266 632 HB2 ASP 84 HB2 ASP 84 -17.977 10.727 2.451 633 HB3 ASP 84 HB1 ASP 84 -16.913 12.099 2.731 634 H GLY 85 HN GLY 85 -16.752 8.965 0.385 635 HA2 GLY 85 HA2 GLY 85 -14.224 8.657 1.716 636 HA3 GLY 85 HA1 GLY 85 -15.150 7.395 0.907 637 H ALA 86 HN ALA 86 -15.352 8.224 -1.659 638 HA ALA 86 HA ALA 86 -12.909 7.859 -2.858 639 HB1 ALA 86 HB1 ALA 86 -15.061 7.669 -4.012 640 HB2 ALA 86 HB2 ALA 86 -13.925 8.684 -4.900 641 HB3 ALA 86 HB3 ALA 86 -15.227 9.425 -3.971 642 H ALA 87 HN ALA 87 -14.450 10.903 -1.924 643 HA ALA 87 HA ALA 87 -12.495 12.635 -3.003 644 HB1 ALA 87 HB1 ALA 87 -14.717 13.398 -2.296 645 HB2 ALA 87 HB2 ALA 87 -13.434 14.325 -1.523 646 HB3 ALA 87 HB3 ALA 87 -14.287 13.077 -0.617 647 H ARG 88 HN ARG 88 -12.730 10.841 -0.027 648 HA ARG 88 HA ARG 88 -10.590 12.080 1.368 649 HB2 ARG 88 HB2 ARG 88 -12.371 10.647 2.404 650 HB3 ARG 88 HB1 ARG 88 -11.634 9.250 1.634 651 HG2 ARG 88 HG2 ARG 88 -10.680 9.083 3.680 652 HG3 ARG 88 HG1 ARG 88 -9.495 10.138 2.909 653 HD2 ARG 88 HD2 ARG 88 -11.773 10.992 4.687 654 HD3 ARG 88 HD1 ARG 88 -10.067 10.960 5.115 655 HE ARG 88 HE ARG 88 -11.137 12.727 3.007 656 HH11 ARG 88 HH11 ARG 88 -9.200 12.167 5.866 657 HH12 ARG 88 HH12 ARG 88 -8.573 13.783 5.917 658 HH21 ARG 88 HH21 ARG 88 -10.307 14.867 3.062 659 HH22 ARG 88 HH22 ARG 88 -9.200 15.318 4.320 660 H PHE 89 HN PHE 89 -10.877 9.411 -0.881 661 HA PHE 89 HA PHE 89 -8.253 8.402 -0.624 662 HB2 PHE 89 HB2 PHE 89 -10.203 7.184 -1.640 663 HB3 PHE 89 HB1 PHE 89 -10.058 8.233 -3.048 664 HD1 PHE 89 HD2 PHE 89 -8.125 5.788 -1.007 665 HD2 PHE 89 HD1 PHE 89 -8.681 7.621 -4.812 666 HE1 PHE 89 HE2 PHE 89 -6.482 4.253 -1.985 667 HE2 PHE 89 HE1 PHE 89 -7.036 6.086 -5.791 668 HZ PHE 89 HZ PHE 89 -5.992 4.341 -4.390 669 H GLU 90 HN GLU 90 -9.698 10.869 -2.711 670 HA GLU 90 HA GLU 90 -7.459 11.320 -4.364 671 HB2 GLU 90 HB2 GLU 90 -9.669 13.188 -3.479 672 HB3 GLU 90 HB1 GLU 90 -8.472 13.609 -4.693 673 HG2 GLU 90 HG2 GLU 90 -10.440 11.335 -4.898 674 HG3 GLU 90 HG1 GLU 90 -10.600 12.908 -5.677 675 H ARG 91 HN ARG 91 -8.475 12.733 -1.298 676 HA ARG 91 HA ARG 91 -6.382 14.591 -1.009 677 HB2 ARG 91 HB2 ARG 91 -8.433 14.685 0.321 678 HB3 ARG 91 HB1 ARG 91 -8.032 13.156 1.085 679 HG2 ARG 91 HG2 ARG 91 -7.549 14.928 2.610 680 HG3 ARG 91 HG1 ARG 91 -6.027 14.224 2.063 681 HD2 ARG 91 HD2 ARG 91 -5.780 16.058 0.445 682 HD3 ARG 91 HD1 ARG 91 -7.275 16.771 1.047 683 HE ARG 91 HE ARG 91 -5.471 16.362 3.191 684 HH11 ARG 91 HH11 ARG 91 -6.020 18.431 0.412 685 HH12 ARG 91 HH12 ARG 91 -5.150 19.773 1.078 686 HH21 ARG 91 HH21 ARG 91 -4.337 18.138 4.071 687 HH22 ARG 91 HH22 ARG 91 -4.194 19.608 3.164 688 H TYR 92 HN TYR 92 -6.607 11.177 -0.386 689 HA TYR 92 HA TYR 92 -4.272 11.014 1.274 690 HB2 TYR 92 HB2 TYR 92 -6.227 9.402 1.320 691 HB3 TYR 92 HB1 TYR 92 -5.660 8.781 -0.225 692 HD1 TYR 92 HD1 TYR 92 -4.618 9.258 3.318 693 HD2 TYR 92 HD2 TYR 92 -4.049 7.090 -0.300 694 HE1 TYR 92 HE1 TYR 92 -3.109 7.709 4.491 695 HE2 TYR 92 HE2 TYR 92 -2.539 5.537 0.863 696 HH TYR 92 HH TYR 92 -2.243 5.442 4.255 697 H LEU 93 HN LEU 93 -5.016 10.646 -2.134 698 HA LEU 93 HA LEU 93 -2.551 9.512 -2.925 699 HB2 LEU 93 HB2 LEU 93 -4.506 11.180 -4.514 700 HB3 LEU 93 HB1 LEU 93 -3.175 10.269 -5.204 701 HG LEU 93 HG LEU 93 -5.539 9.088 -3.741 702 HD11 LEU 93 HD11 LEU 93 -6.139 10.008 -5.912 703 HD12 LEU 93 HD12 LEU 93 -6.193 8.245 -5.930 704 HD13 LEU 93 HD13 LEU 93 -4.834 9.093 -6.667 705 HD21 LEU 93 HD21 LEU 93 -3.192 7.790 -5.123 706 HD22 LEU 93 HD22 LEU 93 -4.647 6.937 -4.610 707 HD23 LEU 93 HD23 LEU 93 -3.604 7.696 -3.410 708 H ALA 94 HN ALA 94 -3.698 12.830 -2.658 709 HA ALA 94 HA ALA 94 -1.396 14.075 -3.704 710 HB1 ALA 94 HB1 ALA 94 -3.518 15.247 -3.458 711 HB2 ALA 94 HB2 ALA 94 -2.230 16.101 -2.610 712 HB3 ALA 94 HB3 ALA 94 -3.390 15.131 -1.703 713 H ALA 95 HN ALA 95 -1.939 12.432 -0.778 714 HA ALA 95 HA ALA 95 0.220 13.835 0.613 715 HB1 ALA 95 HB1 ALA 95 -0.573 12.669 2.610 716 HB2 ALA 95 HB2 ALA 95 -1.782 11.834 1.638 717 HB3 ALA 95 HB3 ALA 95 -1.865 13.584 1.836 718 H LEU 96 HN LEU 96 0.063 11.380 -1.488 719 HA LEU 96 HA LEU 96 1.208 9.158 -0.336 720 HB2 LEU 96 HB2 LEU 96 1.651 10.281 -3.093 721 HB3 LEU 96 HB1 LEU 96 2.275 8.730 -2.581 722 HG LEU 96 HG LEU 96 -0.640 9.477 -2.672 723 HD11 LEU 96 HD11 LEU 96 -0.763 7.983 -4.591 724 HD12 LEU 96 HD12 LEU 96 0.978 7.718 -4.504 725 HD13 LEU 96 HD13 LEU 96 0.349 9.318 -4.897 726 HD21 LEU 96 HD21 LEU 96 -0.981 7.034 -2.370 727 HD22 LEU 96 HD22 LEU 96 -0.261 7.824 -0.969 728 HD23 LEU 96 HD23 LEU 96 0.748 6.873 -2.060 729 HA PRO 97 HA PRO 97 5.698 10.941 -1.202 730 HB2 PRO 97 HB2 PRO 97 5.774 13.700 -0.925 731 HB3 PRO 97 HB1 PRO 97 5.829 12.828 -2.459 732 HG2 PRO 97 HG2 PRO 97 3.501 14.120 -1.096 733 HG3 PRO 97 HG1 PRO 97 3.918 14.091 -2.820 734 HD2 PRO 97 HD2 PRO 97 2.003 12.513 -1.836 735 HD3 PRO 97 HD1 PRO 97 3.106 11.932 -3.103 736 H ARG 98 HN ARG 98 3.423 12.596 0.939 737 HA ARG 98 HA ARG 98 5.428 13.041 2.968 738 HB2 ARG 98 HB2 ARG 98 3.628 14.655 2.715 739 HB3 ARG 98 HB1 ARG 98 2.432 13.412 3.057 740 HG2 ARG 98 HG2 ARG 98 3.208 13.207 5.314 741 HG3 ARG 98 HG1 ARG 98 4.558 14.295 4.992 742 HD2 ARG 98 HD2 ARG 98 2.999 16.118 4.573 743 HD3 ARG 98 HD1 ARG 98 1.638 15.032 4.858 744 HE ARG 98 HE ARG 98 2.881 14.774 7.155 745 HH11 ARG 98 HH11 ARG 98 2.359 17.696 5.304 746 HH12 ARG 98 HH12 ARG 98 2.333 18.726 6.700 747 HH21 ARG 98 HH21 ARG 98 2.858 16.114 8.987 748 HH22 ARG 98 HH22 ARG 98 2.622 17.823 8.802 749 H LYS 99 HN LYS 99 2.797 10.778 2.422 750 HA LYS 99 HA LYS 99 2.942 9.549 4.994 751 HB2 LYS 99 HB2 LYS 99 1.714 8.771 2.363 752 HB3 LYS 99 HB1 LYS 99 1.730 7.654 3.713 753 HG2 LYS 99 HG2 LYS 99 0.536 10.413 3.837 754 HG3 LYS 99 HG1 LYS 99 -0.381 8.954 3.453 755 HD2 LYS 99 HD2 LYS 99 0.370 7.998 5.633 756 HD3 LYS 99 HD1 LYS 99 1.097 9.560 6.013 757 HE2 LYS 99 HE2 LYS 99 -1.818 9.161 5.363 758 HE3 LYS 99 HE1 LYS 99 -1.171 9.196 7.000 759 HZ1 LYS 99 HZ1 LYS 99 -0.452 11.445 6.670 760 HZ2 LYS 99 HZ2 LYS 99 -2.092 11.337 6.274 761 HZ3 LYS 99 HZ3 LYS 99 -0.930 11.423 5.049 762 H LEU 100 HN LEU 100 4.268 8.885 1.821 763 HA LEU 100 HA LEU 100 5.506 6.447 2.335 764 HB2 LEU 100 HB2 LEU 100 5.152 7.536 0.107 765 HB3 LEU 100 HB1 LEU 100 6.461 8.634 0.490 766 HG LEU 100 HG LEU 100 7.963 6.614 0.677 767 HD11 LEU 100 HD11 LEU 100 5.579 5.273 -0.583 768 HD12 LEU 100 HD12 LEU 100 6.314 4.883 0.972 769 HD13 LEU 100 HD13 LEU 100 7.205 4.596 -0.521 770 HD21 LEU 100 HD21 LEU 100 8.252 6.438 -1.731 771 HD22 LEU 100 HD22 LEU 100 7.947 8.110 -1.258 772 HD23 LEU 100 HD23 LEU 100 6.660 7.148 -1.985 773 H ALA 101 HN ALA 101 6.761 9.759 2.577 774 HA ALA 101 HA ALA 101 9.359 9.059 3.416 775 HB1 ALA 101 HB1 ALA 101 8.819 11.252 2.506 776 HB2 ALA 101 HB2 ALA 101 9.567 11.394 4.097 777 HB3 ALA 101 HB3 ALA 101 7.825 11.605 3.919 778 H ALA 102 HN ALA 102 6.366 9.642 5.166 779 HA ALA 102 HA ALA 102 7.457 9.771 7.758 780 HB1 ALA 102 HB1 ALA 102 5.202 10.544 7.242 781 HB2 ALA 102 HB2 ALA 102 5.178 9.345 8.533 782 HB3 ALA 102 HB3 ALA 102 4.703 8.889 6.896 783 H TRP 103 HN TRP 103 6.249 7.064 5.814 784 HA TRP 103 HA TRP 103 6.524 5.115 7.852 785 HB2 TRP 103 HB2 TRP 103 6.466 4.816 4.838 786 HB3 TRP 103 HB1 TRP 103 6.444 3.458 5.961 787 HD1 TRP 103 HD1 TRP 103 4.332 4.661 8.061 788 HE1 TRP 103 HE1 TRP 103 1.855 4.831 7.383 789 HE3 TRP 103 HE3 TRP 103 4.872 4.506 2.985 790 HZ2 TRP 103 HZ2 TRP 103 0.336 4.886 5.010 791 HZ3 TRP 103 HZ3 TRP 103 2.856 4.621 1.581 792 HH2 TRP 103 HH2 TRP 103 0.635 4.807 2.576 793 H GLU 104 HN GLU 104 8.723 6.361 5.403 794 HA GLU 104 HA GLU 104 10.777 4.484 5.662 795 HB2 GLU 104 HB2 GLU 104 11.032 7.452 5.136 796 HB3 GLU 104 HB1 GLU 104 12.299 6.265 4.877 797 HG2 GLU 104 HG2 GLU 104 10.703 5.133 3.257 798 HG3 GLU 104 HG1 GLU 104 9.730 6.605 3.366 799 H ASN 105 HN ASN 105 10.238 7.508 7.400 800 HA ASN 105 HA ASN 105 12.610 7.239 8.967 801 HB2 ASN 105 HB2 ASN 105 10.255 9.118 9.131 802 HB3 ASN 105 HB1 ASN 105 11.643 9.218 10.209 803 HD21 ASN 105 HD21 ASN 105 13.638 8.549 8.298 804 HD22 ASN 105 HD22 ASN 105 13.766 9.875 7.193 805 H ALA 106 HN ALA 106 9.182 6.586 9.536 806 HA ALA 106 HA ALA 106 9.633 6.236 12.363 807 HB1 ALA 106 HB1 ALA 106 7.243 5.857 12.517 808 HB2 ALA 106 HB2 ALA 106 7.127 5.770 10.760 809 HB3 ALA 106 HB3 ALA 106 7.576 7.287 11.539 810 H ARG 107 HN ARG 107 9.605 4.136 9.600 811 HA ARG 107 HA ARG 107 9.243 1.851 11.431 812 HB2 ARG 107 HB2 ARG 107 8.676 1.872 8.469 813 HB3 ARG 107 HB1 ARG 107 8.337 0.566 9.594 814 HG2 ARG 107 HG2 ARG 107 7.021 3.275 9.503 815 HG3 ARG 107 HG1 ARG 107 6.297 1.724 9.089 816 HD2 ARG 107 HD2 ARG 107 7.223 2.598 11.831 817 HD3 ARG 107 HD1 ARG 107 5.555 2.449 11.293 818 HE ARG 107 HE ARG 107 7.189 0.039 11.176 819 HH11 ARG 107 HH11 ARG 107 4.805 1.921 12.912 820 HH12 ARG 107 HH12 ARG 107 4.248 0.580 13.858 821 HH21 ARG 107 HH21 ARG 107 6.463 -1.730 12.428 822 HH22 ARG 107 HH22 ARG 107 5.174 -1.501 13.565 823 H GLY 108 HN GLY 108 11.593 3.407 9.674 824 HA2 GLY 108 HA2 GLY 108 13.820 2.782 9.452 825 HA3 GLY 108 HA1 GLY 108 13.393 1.189 10.064 826 H VAL 109 HN VAL 109 12.134 2.947 7.284 827 HA VAL 109 HA VAL 109 13.054 0.745 5.551 828 HB VAL 109 HB VAL 109 10.473 2.319 5.333 829 HG11 VAL 109 HG11 VAL 109 11.379 1.763 3.131 830 HG12 VAL 109 HG12 VAL 109 9.908 0.854 3.474 831 HG13 VAL 109 HG13 VAL 109 11.479 0.067 3.603 832 HG21 VAL 109 HG21 VAL 109 9.358 0.191 5.775 833 HG22 VAL 109 HG22 VAL 109 10.395 0.666 7.121 834 HG23 VAL 109 HG23 VAL 109 10.925 -0.586 5.996 835 H ASP 110 HN ASP 110 14.047 1.369 3.616 836 HA ASP 110 HA ASP 110 13.955 4.233 2.967 837 HB2 ASP 110 HB2 ASP 110 16.057 3.714 4.232 838 HB3 ASP 110 HB1 ASP 110 16.512 2.613 2.929 839 H PHE 111 HN PHE 111 13.002 4.301 1.062 840 HA PHE 111 HA PHE 111 13.008 2.045 -0.706 841 HB2 PHE 111 HB2 PHE 111 11.834 4.812 -0.972 842 HB3 PHE 111 HB1 PHE 111 11.602 3.532 -2.157 843 HD1 PHE 111 HD2 PHE 111 10.879 4.604 1.287 844 HD2 PHE 111 HD1 PHE 111 10.068 1.749 -1.763 845 HE1 PHE 111 HE2 PHE 111 8.965 3.766 2.583 846 HE2 PHE 111 HE1 PHE 111 8.156 0.910 -0.472 847 HZ PHE 111 HZ PHE 111 7.599 1.918 1.705 848 H GLY 112 HN GLY 112 14.927 4.894 -0.431 849 HA2 GLY 112 HA2 GLY 112 15.688 5.072 -3.185 850 HA3 GLY 112 HA1 GLY 112 16.499 5.848 -1.831 851 H SER 113 HN SER 113 17.010 3.491 -0.342 852 HA SER 113 HA SER 113 19.269 2.484 -1.859 853 HB2 SER 113 HB2 SER 113 19.868 1.409 0.351 854 HB3 SER 113 HB1 SER 113 19.773 3.172 0.384 855 HG SER 113 HG SER 113 17.727 3.011 1.317 856 H ARG 114 HN ARG 114 16.098 1.603 -1.326 857 HA ARG 114 HA ARG 114 14.873 -0.233 -1.883 858 HB2 ARG 114 HB2 ARG 114 17.513 -1.143 -3.037 859 HB3 ARG 114 HB1 ARG 114 16.025 -2.074 -3.178 860 HG2 ARG 114 HG2 ARG 114 15.026 -0.471 -4.565 861 HG3 ARG 114 HG1 ARG 114 16.221 0.760 -4.146 862 HD2 ARG 114 HD2 ARG 114 16.505 -0.284 -6.416 863 HD3 ARG 114 HD1 ARG 114 17.921 -0.355 -5.372 864 HE ARG 114 HE ARG 114 16.092 -2.644 -5.727 865 HH11 ARG 114 HH11 ARG 114 19.319 -1.293 -5.643 866 HH12 ARG 114 HH12 ARG 114 20.106 -2.832 -5.745 867 HH21 ARG 114 HH21 ARG 114 17.140 -4.684 -5.870 868 HH22 ARG 114 HH22 ARG 114 18.878 -4.758 -5.864 869 H THR 115 HN THR 115 16.217 0.044 0.688 870 HA THR 115 HA THR 115 16.323 -2.785 1.456 871 HB THR 115 HB THR 115 18.244 -2.354 2.933 872 HG1 THR 115 HG1 THR 115 17.944 0.237 1.893 873 HG21 THR 115 HG21 THR 115 19.977 -2.236 1.219 874 HG22 THR 115 HG22 THR 115 18.795 -1.627 0.059 875 HG23 THR 115 HG23 THR 115 18.644 -3.266 0.697 876 H GLN 116 HN GLN 116 16.280 -3.022 3.883 877 HA GLN 116 HA GLN 116 15.082 -0.787 5.300 878 HB2 GLN 116 HB2 GLN 116 13.195 -2.129 6.109 879 HB3 GLN 116 HB1 GLN 116 13.158 -1.991 4.358 880 HG2 GLN 116 HG2 GLN 116 14.153 -4.243 4.193 881 HG3 GLN 116 HG1 GLN 116 14.075 -4.374 5.950 882 HE21 GLN 116 HE21 GLN 116 12.676 -6.121 5.913 883 HE22 GLN 116 HE22 GLN 116 11.024 -5.978 5.431 884 H ALA 117 HN ALA 117 15.234 -0.976 7.575 885 HA ALA 117 HA ALA 117 17.485 -2.637 8.378 886 HB1 ALA 117 HB1 ALA 117 17.475 -0.254 8.949 887 HB2 ALA 117 HB2 ALA 117 17.512 -1.266 10.392 888 HB3 ALA 117 HB3 ALA 117 16.009 -0.492 9.899 889 H ASP 118 HN ASP 118 14.499 -3.413 8.011 890 HA ASP 118 HA ASP 118 14.244 -4.861 10.563 891 HB2 ASP 118 HB2 ASP 118 12.542 -2.962 10.058 892 HB3 ASP 118 HB1 ASP 118 11.887 -4.072 8.856 893 H ALA 119 HN ALA 119 13.051 -6.910 10.353 894 HA ALA 119 HA ALA 119 13.960 -8.347 8.012 895 HB1 ALA 119 HB1 ALA 119 13.236 -10.344 9.208 896 HB2 ALA 119 HB2 ALA 119 12.473 -9.341 10.442 897 HB3 ALA 119 HB3 ALA 119 14.225 -9.319 10.249 898 H LEU 120 HN LEU 120 11.053 -6.913 9.157 899 HA LEU 120 HA LEU 120 9.627 -7.427 6.786 900 HB2 LEU 120 HB2 LEU 120 9.461 -9.694 7.824 901 HB3 LEU 120 HB1 LEU 120 8.644 -8.972 9.190 902 HG LEU 120 HG LEU 120 6.815 -8.254 7.680 903 HD11 LEU 120 HD11 LEU 120 8.003 -8.121 5.592 904 HD12 LEU 120 HD12 LEU 120 6.681 -9.278 5.446 905 HD13 LEU 120 HD13 LEU 120 8.338 -9.851 5.635 906 HD21 LEU 120 HD21 LEU 120 5.865 -10.496 7.357 907 HD22 LEU 120 HD22 LEU 120 6.592 -10.296 8.949 908 HD23 LEU 120 HD23 LEU 120 7.447 -11.198 7.697 909 H VAL 121 HN VAL 121 8.319 -5.678 6.591 910 HA VAL 121 HA VAL 121 7.315 -4.508 9.096 911 HB VAL 121 HB VAL 121 8.946 -3.004 8.240 912 HG11 VAL 121 HG11 VAL 121 9.040 -3.833 5.939 913 HG12 VAL 121 HG12 VAL 121 8.934 -2.073 6.009 914 HG13 VAL 121 HG13 VAL 121 7.510 -3.024 5.596 915 HG21 VAL 121 HG21 VAL 121 7.623 -0.982 7.808 916 HG22 VAL 121 HG22 VAL 121 6.970 -1.940 9.136 917 HG23 VAL 121 HG23 VAL 121 6.196 -1.986 7.552 918 H LEU 122 HN LEU 122 5.337 -5.305 9.209 919 HA LEU 122 HA LEU 122 3.532 -4.989 6.912 920 HB2 LEU 122 HB2 LEU 122 3.045 -6.551 9.450 921 HB3 LEU 122 HB1 LEU 122 2.100 -6.610 7.978 922 HG LEU 122 HG LEU 122 4.913 -7.651 8.334 923 HD11 LEU 122 HD11 LEU 122 3.226 -9.042 9.397 924 HD12 LEU 122 HD12 LEU 122 3.891 -9.836 7.970 925 HD13 LEU 122 HD13 LEU 122 2.298 -9.084 7.896 926 HD21 LEU 122 HD21 LEU 122 4.618 -6.768 6.091 927 HD22 LEU 122 HD22 LEU 122 3.133 -7.702 5.903 928 HD23 LEU 122 HD23 LEU 122 4.682 -8.529 6.065 929 H LEU 123 HN LEU 123 2.467 -3.110 6.966 930 HA LEU 123 HA LEU 123 1.891 -1.886 9.560 931 HB2 LEU 123 HB2 LEU 123 1.616 -0.710 6.794 932 HB3 LEU 123 HB1 LEU 123 1.453 0.156 8.310 933 HG LEU 123 HG LEU 123 3.981 -1.061 7.209 934 HD11 LEU 123 HD11 LEU 123 4.737 1.240 7.040 935 HD12 LEU 123 HD12 LEU 123 3.190 1.811 7.666 936 HD13 LEU 123 HD13 LEU 123 3.263 1.004 6.100 937 HD21 LEU 123 HD21 LEU 123 3.907 -1.254 9.647 938 HD22 LEU 123 HD22 LEU 123 3.549 0.470 9.771 939 HD23 LEU 123 HD23 LEU 123 5.100 -0.067 9.125 940 H GLY 124 HN GLY 124 0.048 -2.550 10.406 941 HA2 GLY 124 HA2 GLY 124 -2.320 -2.786 8.678 942 HA3 GLY 124 HA1 GLY 124 -2.150 -3.495 10.276 943 H GLY 125 HN GLY 125 -4.406 -2.072 9.650 944 HA2 GLY 125 HA2 GLY 125 -5.756 -0.553 10.714 945 HA3 GLY 125 HA1 GLY 125 -4.426 -0.246 11.821 946 H LEU 126 HN LEU 126 -3.875 0.225 8.423 947 HA LEU 126 HA LEU 126 -3.336 2.987 8.838 948 HB2 LEU 126 HB2 LEU 126 -3.248 1.151 6.512 949 HB3 LEU 126 HB1 LEU 126 -3.427 2.862 6.162 950 HG LEU 126 HG LEU 126 -1.357 3.324 7.425 951 HD11 LEU 126 HD11 LEU 126 -1.061 0.331 7.578 952 HD12 LEU 126 HD12 LEU 126 -1.495 1.372 8.935 953 HD13 LEU 126 HD13 LEU 126 0.076 1.546 8.158 954 HD21 LEU 126 HD21 LEU 126 -1.273 2.998 5.014 955 HD22 LEU 126 HD22 LEU 126 -1.072 1.261 5.243 956 HD23 LEU 126 HD23 LEU 126 0.186 2.372 5.784 957 H ASP 127 HN ASP 127 -4.410 4.765 8.157 958 HA ASP 127 HA ASP 127 -7.209 4.401 7.323 959 HB2 ASP 127 HB2 ASP 127 -6.142 6.361 9.383 960 HB3 ASP 127 HB1 ASP 127 -7.790 6.371 8.754 961 H PHE 128 HN PHE 128 -8.086 6.570 6.463 962 HA PHE 128 HA PHE 128 -6.047 7.563 4.609 963 HB2 PHE 128 HB2 PHE 128 -9.065 7.628 4.462 964 HB3 PHE 128 HB1 PHE 128 -8.004 8.361 3.264 965 HD1 PHE 128 HD1 PHE 128 -6.498 6.913 1.906 966 HD2 PHE 128 HD2 PHE 128 -9.494 5.297 4.463 967 HE1 PHE 128 HE1 PHE 128 -6.332 4.758 0.732 968 HE2 PHE 128 HE2 PHE 128 -9.331 3.139 3.296 969 HZ PHE 128 HZ PHE 128 -7.748 2.864 1.428 970 H GLU 129 HN GLU 129 -5.821 8.622 7.113 971 HA GLU 129 HA GLU 129 -7.022 11.254 7.117 972 HB2 GLU 129 HB2 GLU 129 -4.860 10.060 8.865 973 HB3 GLU 129 HB1 GLU 129 -5.589 11.639 9.104 974 HG2 GLU 129 HG2 GLU 129 -7.756 10.594 9.473 975 HG3 GLU 129 HG1 GLU 129 -7.035 9.007 9.219 976 H ALA 130 HN ALA 130 -6.175 13.030 6.233 977 HA ALA 130 HA ALA 130 -3.335 13.218 5.705 978 HB1 ALA 130 HB1 ALA 130 -3.726 13.790 3.300 979 HB2 ALA 130 HB2 ALA 130 -5.375 13.191 3.489 980 HB3 ALA 130 HB3 ALA 130 -4.009 12.098 3.707 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -26.042 -5.158 2.525 2 H2 GLY 1 HT2 GLY 1 -27.163 -5.992 3.474 3 H3 GLY 1 HT3 GLY 1 -25.716 -6.737 3.026 4 HA2 GLY 1 HA1 GLY 1 -25.955 -4.369 4.792 5 HA3 GLY 1 HA2 GLY 1 -25.655 -6.014 5.333 6 H ALA 2 HN ALA 2 -23.805 -4.491 6.222 7 HA ALA 2 HA ALA 2 -21.540 -4.831 4.380 8 HB1 ALA 2 HB1 ALA 2 -22.208 -2.495 4.274 9 HB2 ALA 2 HB2 ALA 2 -20.642 -2.655 5.070 10 HB3 ALA 2 HB3 ALA 2 -22.093 -2.367 6.028 11 H MET 3 HN MET 3 -22.738 -6.028 7.006 12 HA MET 3 HA MET 3 -20.140 -6.166 8.379 13 HB2 MET 3 HB2 MET 3 -21.756 -4.668 9.606 14 HB3 MET 3 HB1 MET 3 -22.817 -6.059 9.789 15 HG2 MET 3 HG2 MET 3 -21.513 -5.643 11.806 16 HG3 MET 3 HG1 MET 3 -21.128 -7.211 11.099 17 HE1 MET 3 HE1 MET 3 -18.935 -7.299 12.637 18 HE2 MET 3 HE2 MET 3 -19.342 -5.717 13.304 19 HE3 MET 3 HE3 MET 3 -17.723 -6.017 12.672 20 H GLY 4 HN GLY 4 -19.576 -8.170 9.149 21 HA2 GLY 4 HA2 GLY 4 -19.997 -10.422 9.780 22 HA3 GLY 4 HA1 GLY 4 -21.534 -10.345 8.927 23 H MET 5 HN MET 5 -20.987 -9.562 6.479 24 HA MET 5 HA MET 5 -18.663 -10.961 5.446 25 HB2 MET 5 HB2 MET 5 -20.545 -12.633 5.511 26 HB3 MET 5 HB1 MET 5 -21.431 -11.595 4.403 27 HG2 MET 5 HG2 MET 5 -19.584 -11.847 2.769 28 HG3 MET 5 HG1 MET 5 -18.815 -12.988 3.865 29 HE1 MET 5 HE1 MET 5 -21.768 -12.291 1.425 30 HE2 MET 5 HE2 MET 5 -22.650 -12.506 2.936 31 HE3 MET 5 HE3 MET 5 -22.800 -13.702 1.650 32 H SER 6 HN SER 6 -17.723 -9.458 4.236 33 HA SER 6 HA SER 6 -19.402 -7.850 2.439 34 HB2 SER 6 HB2 SER 6 -17.723 -5.962 2.884 35 HB3 SER 6 HB1 SER 6 -18.872 -6.322 4.173 36 HG SER 6 HG SER 6 -16.250 -7.413 4.045 37 HA PRO 7 HA PRO 7 -15.864 -9.833 0.239 38 HB2 PRO 7 HB2 PRO 7 -17.229 -11.325 -1.526 39 HB3 PRO 7 HB1 PRO 7 -16.965 -11.849 0.139 40 HG2 PRO 7 HG2 PRO 7 -19.417 -10.776 -1.141 41 HG3 PRO 7 HG1 PRO 7 -19.254 -11.945 0.179 42 HD2 PRO 7 HD2 PRO 7 -19.837 -9.193 0.417 43 HD3 PRO 7 HD1 PRO 7 -19.409 -10.296 1.735 44 H ASP 8 HN ASP 8 -18.625 -8.064 -0.899 45 HA ASP 8 HA ASP 8 -17.645 -7.778 -3.601 46 HB2 ASP 8 HB2 ASP 8 -20.058 -7.813 -3.224 47 HB3 ASP 8 HB1 ASP 8 -19.935 -6.389 -2.195 48 H THR 9 HN THR 9 -17.819 -5.778 -0.694 49 HA THR 9 HA THR 9 -16.746 -3.445 -1.879 50 HB THR 9 HB THR 9 -16.715 -4.342 1.008 51 HG1 THR 9 HG1 THR 9 -18.589 -3.139 -0.660 52 HG21 THR 9 HG21 THR 9 -16.232 -1.605 -0.177 53 HG22 THR 9 HG22 THR 9 -15.012 -2.631 0.578 54 HG23 THR 9 HG23 THR 9 -16.338 -1.981 1.543 55 H ALA 10 HN ALA 10 -15.300 -6.145 -0.084 56 HA ALA 10 HA ALA 10 -12.643 -5.274 -0.189 57 HB1 ALA 10 HB1 ALA 10 -13.412 -7.087 1.263 58 HB2 ALA 10 HB2 ALA 10 -12.052 -7.593 0.261 59 HB3 ALA 10 HB3 ALA 10 -13.689 -8.102 -0.152 60 H ARG 11 HN ARG 11 -14.615 -7.121 -2.444 61 HA ARG 11 HA ARG 11 -12.563 -7.734 -4.288 62 HB2 ARG 11 HB2 ARG 11 -14.745 -8.890 -4.246 63 HB3 ARG 11 HB1 ARG 11 -15.527 -7.412 -4.788 64 HG2 ARG 11 HG2 ARG 11 -14.203 -7.507 -6.864 65 HG3 ARG 11 HG1 ARG 11 -13.504 -9.033 -6.319 66 HD2 ARG 11 HD2 ARG 11 -15.779 -9.993 -6.214 67 HD3 ARG 11 HD1 ARG 11 -16.417 -8.481 -6.861 68 HE ARG 11 HE ARG 11 -14.382 -9.561 -8.531 69 HH11 ARG 11 HH11 ARG 11 -17.765 -9.844 -7.687 70 HH12 ARG 11 HH12 ARG 11 -18.214 -10.561 -9.203 71 HH21 ARG 11 HH21 ARG 11 -14.966 -10.496 -10.529 72 HH22 ARG 11 HH22 ARG 11 -16.616 -10.938 -10.817 73 H ARG 12 HN ARG 12 -14.814 -5.026 -3.986 74 HA ARG 12 HA ARG 12 -14.170 -3.754 -6.402 75 HB2 ARG 12 HB2 ARG 12 -16.131 -3.180 -4.953 76 HB3 ARG 12 HB1 ARG 12 -15.016 -2.395 -3.842 77 HG2 ARG 12 HG2 ARG 12 -14.322 -0.859 -5.604 78 HG3 ARG 12 HG1 ARG 12 -15.437 -1.639 -6.722 79 HD2 ARG 12 HD2 ARG 12 -17.317 -0.971 -5.292 80 HD3 ARG 12 HD1 ARG 12 -16.188 -0.170 -4.197 81 HE ARG 12 HE ARG 12 -15.764 0.826 -6.781 82 HH11 ARG 12 HH11 ARG 12 -18.266 0.868 -4.320 83 HH12 ARG 12 HH12 ARG 12 -18.880 2.417 -4.804 84 HH21 ARG 12 HH21 ARG 12 -16.552 2.852 -7.398 85 HH22 ARG 12 HH22 ARG 12 -17.899 3.554 -6.553 86 H PHE 13 HN PHE 13 -12.775 -3.470 -3.156 87 HA PHE 13 HA PHE 13 -10.949 -1.426 -3.780 88 HB2 PHE 13 HB2 PHE 13 -11.472 -2.161 -1.456 89 HB3 PHE 13 HB1 PHE 13 -10.591 -3.651 -1.755 90 HD1 PHE 13 HD1 PHE 13 -10.255 0.004 -1.416 91 HD2 PHE 13 HD2 PHE 13 -8.221 -3.725 -1.630 92 HE1 PHE 13 HE1 PHE 13 -8.177 1.101 -0.693 93 HE2 PHE 13 HE2 PHE 13 -6.143 -2.638 -0.905 94 HZ PHE 13 HZ PHE 13 -6.101 -0.221 -0.475 95 H ASP 14 HN ASP 14 -10.725 -4.932 -3.949 96 HA ASP 14 HA ASP 14 -8.066 -5.223 -4.682 97 HB2 ASP 14 HB2 ASP 14 -9.283 -7.149 -4.048 98 HB3 ASP 14 HB1 ASP 14 -10.524 -6.860 -5.258 99 H THR 15 HN THR 15 -10.842 -4.427 -6.698 100 HA THR 15 HA THR 15 -9.136 -4.755 -9.065 101 HB THR 15 HB THR 15 -11.224 -6.082 -9.018 102 HG1 THR 15 HG1 THR 15 -11.731 -4.380 -11.135 103 HG21 THR 15 HG21 THR 15 -12.718 -4.545 -7.880 104 HG22 THR 15 HG22 THR 15 -13.369 -4.948 -9.468 105 HG23 THR 15 HG23 THR 15 -12.581 -3.393 -9.208 106 H GLU 16 HN GLU 16 -11.177 -2.362 -7.442 107 HA GLU 16 HA GLU 16 -10.853 -0.528 -9.680 108 HB2 GLU 16 HB2 GLU 16 -13.062 -0.843 -8.578 109 HB3 GLU 16 HB1 GLU 16 -12.391 -0.164 -7.104 110 HG2 GLU 16 HG2 GLU 16 -12.028 1.960 -8.208 111 HG3 GLU 16 HG1 GLU 16 -12.608 1.291 -9.734 112 H PHE 17 HN PHE 17 -9.907 -0.710 -6.251 113 HA PHE 17 HA PHE 17 -8.727 1.961 -6.537 114 HB2 PHE 17 HB2 PHE 17 -9.485 0.421 -4.053 115 HB3 PHE 17 HB1 PHE 17 -8.700 1.995 -4.042 116 HD1 PHE 17 HD1 PHE 17 -9.924 3.954 -5.088 117 HD2 PHE 17 HD2 PHE 17 -11.811 0.227 -4.272 118 HE1 PHE 17 HE1 PHE 17 -12.121 5.045 -5.218 119 HE2 PHE 17 HE2 PHE 17 -14.012 1.314 -4.399 120 HZ PHE 17 HZ PHE 17 -14.168 3.730 -4.855 121 H ALA 18 HN ALA 18 -7.914 -1.280 -5.330 122 HA ALA 18 HA ALA 18 -5.414 -0.744 -4.300 123 HB1 ALA 18 HB1 ALA 18 -6.177 -3.292 -5.706 124 HB2 ALA 18 HB2 ALA 18 -6.592 -2.884 -4.043 125 HB3 ALA 18 HB3 ALA 18 -4.902 -3.081 -4.508 126 HA PRO 19 HA PRO 19 -3.390 -1.648 -8.690 127 HB2 PRO 19 HB2 PRO 19 -5.594 -0.534 -10.363 128 HB3 PRO 19 HB1 PRO 19 -4.481 -1.869 -10.709 129 HG2 PRO 19 HG2 PRO 19 -6.991 -2.382 -10.050 130 HG3 PRO 19 HG1 PRO 19 -5.674 -3.371 -9.388 131 HD2 PRO 19 HD2 PRO 19 -7.228 -1.167 -8.081 132 HD3 PRO 19 HD1 PRO 19 -6.712 -2.729 -7.415 133 H ARG 20 HN ARG 20 -5.596 1.008 -8.009 134 HA ARG 20 HA ARG 20 -4.141 3.015 -9.409 135 HB2 ARG 20 HB2 ARG 20 -6.056 3.321 -7.086 136 HB3 ARG 20 HB1 ARG 20 -5.483 4.624 -8.115 137 HG2 ARG 20 HG2 ARG 20 -6.574 3.543 -10.039 138 HG3 ARG 20 HG1 ARG 20 -7.206 2.305 -8.954 139 HD2 ARG 20 HD2 ARG 20 -8.313 4.114 -7.647 140 HD3 ARG 20 HD1 ARG 20 -7.795 5.257 -8.885 141 HE ARG 20 HE ARG 20 -9.241 3.041 -9.971 142 HH11 ARG 20 HH11 ARG 20 -9.596 6.154 -8.410 143 HH12 ARG 20 HH12 ARG 20 -11.191 6.427 -9.037 144 HH21 ARG 20 HH21 ARG 20 -11.318 3.402 -10.812 145 HH22 ARG 20 HH22 ARG 20 -12.172 4.856 -10.410 146 H ILE 21 HN ILE 21 -4.169 1.826 -6.098 147 HA ILE 21 HA ILE 21 -2.358 3.758 -5.063 148 HB ILE 21 HB ILE 21 -2.927 0.978 -4.014 149 HG12 ILE 21 HG12 ILE 21 -4.201 3.613 -3.231 150 HG13 ILE 21 HG11 ILE 21 -4.963 2.416 -4.273 151 HG21 ILE 21 HG21 ILE 21 -0.885 2.008 -3.104 152 HG22 ILE 21 HG22 ILE 21 -2.136 1.832 -1.876 153 HG23 ILE 21 HG23 ILE 21 -1.829 3.411 -2.600 154 HD11 ILE 21 HD11 ILE 21 -4.215 2.064 -1.377 155 HD12 ILE 21 HD12 ILE 21 -4.876 0.798 -2.409 156 HD13 ILE 21 HD13 ILE 21 -5.839 2.227 -2.045 157 H ALA 22 HN ALA 22 -2.023 0.454 -6.262 158 HA ALA 22 HA ALA 22 0.682 0.077 -5.705 159 HB1 ALA 22 HB1 ALA 22 -0.851 -1.728 -6.345 160 HB2 ALA 22 HB2 ALA 22 0.603 -1.721 -7.343 161 HB3 ALA 22 HB3 ALA 22 -0.910 -1.086 -7.986 162 H ARG 23 HN ARG 23 -0.878 1.404 -8.601 163 HA ARG 23 HA ARG 23 1.539 1.734 -10.055 164 HB2 ARG 23 HB2 ARG 23 -1.166 3.039 -10.383 165 HB3 ARG 23 HB1 ARG 23 0.166 3.246 -11.512 166 HG2 ARG 23 HG2 ARG 23 0.165 0.799 -11.887 167 HG3 ARG 23 HG1 ARG 23 -1.260 0.679 -10.853 168 HD2 ARG 23 HD2 ARG 23 -1.919 0.722 -13.189 169 HD3 ARG 23 HD1 ARG 23 -2.470 2.183 -12.371 170 HE ARG 23 HE ARG 23 -0.064 2.887 -13.438 171 HH11 ARG 23 HH11 ARG 23 -3.012 1.527 -14.753 172 HH12 ARG 23 HH12 ARG 23 -2.792 2.242 -16.315 173 HH21 ARG 23 HH21 ARG 23 0.214 3.847 -15.490 174 HH22 ARG 23 HH22 ARG 23 -0.958 3.562 -16.736 175 H ALA 24 HN ALA 24 -0.373 3.893 -8.008 176 HA ALA 24 HA ALA 24 1.060 6.248 -8.531 177 HB1 ALA 24 HB1 ALA 24 0.072 7.115 -6.485 178 HB2 ALA 24 HB2 ALA 24 -0.389 5.483 -5.999 179 HB3 ALA 24 HB3 ALA 24 -1.127 6.221 -7.421 180 H ILE 25 HN ILE 25 1.439 3.827 -5.959 181 HA ILE 25 HA ILE 25 3.616 5.050 -4.669 182 HB ILE 25 HB ILE 25 2.876 2.118 -4.814 183 HG12 ILE 25 HG12 ILE 25 1.127 3.536 -3.819 184 HG13 ILE 25 HG11 ILE 25 1.860 2.490 -2.608 185 HG21 ILE 25 HG21 ILE 25 4.720 3.511 -2.873 186 HG22 ILE 25 HG22 ILE 25 5.228 2.454 -4.191 187 HG23 ILE 25 HG23 ILE 25 4.277 1.804 -2.857 188 HD11 ILE 25 HD11 ILE 25 3.261 4.407 -1.889 189 HD12 ILE 25 HD12 ILE 25 1.530 4.656 -1.664 190 HD13 ILE 25 HD13 ILE 25 2.362 5.429 -3.012 191 H ALA 26 HN ALA 26 3.458 2.633 -7.248 192 HA ALA 26 HA ALA 26 6.193 2.113 -7.493 193 HB1 ALA 26 HB1 ALA 26 4.513 0.728 -8.567 194 HB2 ALA 26 HB2 ALA 26 5.658 1.336 -9.763 195 HB3 ALA 26 HB3 ALA 26 4.059 2.065 -9.622 196 H ASP 27 HN ASP 27 4.170 4.623 -8.907 197 HA ASP 27 HA ASP 27 6.184 5.675 -10.619 198 HB2 ASP 27 HB2 ASP 27 3.782 6.029 -11.030 199 HB3 ASP 27 HB1 ASP 27 3.679 6.999 -9.564 200 H LEU 28 HN LEU 28 5.190 6.325 -7.320 201 HA LEU 28 HA LEU 28 6.573 8.782 -7.003 202 HB2 LEU 28 HB2 LEU 28 5.853 6.722 -4.913 203 HB3 LEU 28 HB1 LEU 28 6.377 8.358 -4.582 204 HG LEU 28 HG LEU 28 3.811 7.566 -5.961 205 HD11 LEU 28 HD11 LEU 28 3.820 7.099 -3.569 206 HD12 LEU 28 HD12 LEU 28 2.742 8.441 -3.954 207 HD13 LEU 28 HD13 LEU 28 4.324 8.757 -3.240 208 HD21 LEU 28 HD21 LEU 28 4.907 10.284 -5.241 209 HD22 LEU 28 HD22 LEU 28 3.259 9.970 -5.784 210 HD23 LEU 28 HD23 LEU 28 4.620 9.658 -6.864 211 H LEU 29 HN LEU 29 7.429 5.418 -6.568 212 HA LEU 29 HA LEU 29 10.070 6.056 -5.557 213 HB2 LEU 29 HB2 LEU 29 8.859 3.387 -6.293 214 HB3 LEU 29 HB1 LEU 29 10.344 3.635 -5.394 215 HG LEU 29 HG LEU 29 7.609 4.469 -4.435 216 HD11 LEU 29 HD11 LEU 29 7.772 2.047 -4.578 217 HD12 LEU 29 HD12 LEU 29 7.780 2.577 -2.895 218 HD13 LEU 29 HD13 LEU 29 9.284 2.083 -3.672 219 HD21 LEU 29 HD21 LEU 29 8.780 4.660 -2.250 220 HD22 LEU 29 HD22 LEU 29 9.311 5.837 -3.449 221 HD23 LEU 29 HD23 LEU 29 10.309 4.425 -3.098 222 H ASN 30 HN ASN 30 8.932 6.470 -8.451 223 HA ASN 30 HA ASN 30 9.694 6.447 -10.588 224 HB2 ASN 30 HB2 ASN 30 12.315 6.347 -9.095 225 HB3 ASN 30 HB1 ASN 30 12.227 6.494 -10.845 226 HD21 ASN 30 HD21 ASN 30 11.743 8.097 -7.808 227 HD22 ASN 30 HD22 ASN 30 11.472 9.675 -8.461 228 H HIS 31 HN HIS 31 8.968 3.931 -9.399 229 HA HIS 31 HA HIS 31 8.898 1.730 -9.884 230 HB2 HIS 31 HB2 HIS 31 10.247 2.629 -12.434 231 HB3 HIS 31 HB1 HIS 31 9.589 1.017 -12.172 232 HD1 HIS 31 HD1 HIS 31 6.944 0.881 -11.851 233 HD2 HIS 31 HD2 HIS 31 8.420 4.523 -13.212 234 HE1 HIS 31 HE1 HIS 31 4.961 2.116 -12.771 235 HE2 HIS 31 HE2 HIS 31 5.907 4.232 -13.744 236 H ARG 32 HN ARG 32 11.400 2.922 -8.603 237 HA ARG 32 HA ARG 32 13.483 1.096 -9.349 238 HB2 ARG 32 HB2 ARG 32 13.200 2.769 -6.842 239 HB3 ARG 32 HB1 ARG 32 14.664 1.946 -7.362 240 HG2 ARG 32 HG2 ARG 32 13.283 4.225 -8.761 241 HG3 ARG 32 HG1 ARG 32 14.814 4.290 -7.889 242 HD2 ARG 32 HD2 ARG 32 15.809 2.766 -9.523 243 HD3 ARG 32 HD1 ARG 32 14.273 2.686 -10.386 244 HE ARG 32 HE ARG 32 15.684 5.245 -10.048 245 HH11 ARG 32 HH11 ARG 32 14.299 2.795 -12.140 246 HH12 ARG 32 HH12 ARG 32 14.432 3.767 -13.570 247 HH21 ARG 32 HH21 ARG 32 15.853 6.520 -11.930 248 HH22 ARG 32 HH22 ARG 32 15.309 5.883 -13.452 249 H ALA 33 HN ALA 33 10.809 1.108 -7.199 250 HA ALA 33 HA ALA 33 11.498 -1.620 -6.337 251 HB1 ALA 33 HB1 ALA 33 9.723 0.388 -4.943 252 HB2 ALA 33 HB2 ALA 33 11.349 -0.076 -4.442 253 HB3 ALA 33 HB3 ALA 33 10.041 -1.259 -4.398 254 H HIS 34 HN HIS 34 9.708 -3.134 -6.311 255 HA HIS 34 HA HIS 34 7.760 -2.448 -8.404 256 HB2 HIS 34 HB2 HIS 34 9.254 -4.345 -8.936 257 HB3 HIS 34 HB1 HIS 34 8.712 -5.177 -7.481 258 HD1 HIS 34 HD1 HIS 34 7.487 -4.112 -10.886 259 HD2 HIS 34 HD2 HIS 34 6.315 -6.546 -7.724 260 HE1 HIS 34 HE1 HIS 34 5.508 -5.410 -11.727 261 HE2 HIS 34 HE2 HIS 34 4.740 -6.781 -9.760 262 H THR 35 HN THR 35 5.620 -2.616 -8.052 263 HA THR 35 HA THR 35 4.796 -3.326 -5.321 264 HB THR 35 HB THR 35 2.814 -1.858 -5.773 265 HG1 THR 35 HG1 THR 35 3.074 -0.372 -7.558 266 HG21 THR 35 HG21 THR 35 4.815 -1.092 -4.526 267 HG22 THR 35 HG22 THR 35 3.998 0.216 -5.382 268 HG23 THR 35 HG23 THR 35 5.485 -0.476 -6.035 269 H ASP 36 HN ASP 36 3.158 -4.758 -5.017 270 HA ASP 36 HA ASP 36 1.777 -5.826 -7.368 271 HB2 ASP 36 HB2 ASP 36 3.698 -7.306 -7.055 272 HB3 ASP 36 HB1 ASP 36 3.299 -7.503 -5.354 273 H VAL 37 HN VAL 37 -0.319 -6.095 -6.997 274 HA VAL 37 HA VAL 37 -1.365 -5.438 -4.406 275 HB VAL 37 HB VAL 37 -2.792 -6.267 -6.939 276 HG11 VAL 37 HG11 VAL 37 -4.176 -6.741 -5.004 277 HG12 VAL 37 HG12 VAL 37 -4.811 -5.343 -5.874 278 HG13 VAL 37 HG13 VAL 37 -3.900 -5.114 -4.380 279 HG21 VAL 37 HG21 VAL 37 -2.336 -3.543 -5.722 280 HG22 VAL 37 HG22 VAL 37 -3.325 -3.877 -7.143 281 HG23 VAL 37 HG23 VAL 37 -1.587 -4.170 -7.191 282 H VAL 38 HN VAL 38 -2.024 -6.757 -2.874 283 HA VAL 38 HA VAL 38 -1.915 -9.646 -3.331 284 HB VAL 38 HB VAL 38 -2.247 -8.121 -0.736 285 HG11 VAL 38 HG11 VAL 38 -3.163 -10.363 -0.613 286 HG12 VAL 38 HG12 VAL 38 -1.680 -10.250 0.331 287 HG13 VAL 38 HG13 VAL 38 -1.661 -11.031 -1.249 288 HG21 VAL 38 HG21 VAL 38 -0.081 -7.658 -1.710 289 HG22 VAL 38 HG22 VAL 38 0.209 -9.382 -1.943 290 HG23 VAL 38 HG23 VAL 38 0.100 -8.719 -0.313 291 H GLY 39 HN GLY 39 -3.739 -10.646 -3.825 292 HA2 GLY 39 HA2 GLY 39 -6.231 -9.326 -3.875 293 HA3 GLY 39 HA1 GLY 39 -5.968 -11.039 -4.159 294 H TYR 40 HN TYR 40 -8.200 -10.035 -2.877 295 HA TYR 40 HA TYR 40 -7.982 -10.086 -0.050 296 HB2 TYR 40 HB2 TYR 40 -9.852 -8.955 -1.089 297 HB3 TYR 40 HB1 TYR 40 -10.351 -10.439 -1.903 298 HD1 TYR 40 HD1 TYR 40 -9.879 -8.995 1.508 299 HD2 TYR 40 HD2 TYR 40 -11.975 -11.803 -0.915 300 HE1 TYR 40 HE1 TYR 40 -11.359 -9.516 3.399 301 HE2 TYR 40 HE2 TYR 40 -13.458 -12.329 0.977 302 HH TYR 40 HH TYR 40 -13.597 -10.427 3.788 303 H GLY 41 HN GLY 41 -7.979 -11.731 1.338 304 HA2 GLY 41 HA2 GLY 41 -8.246 -14.452 0.285 305 HA3 GLY 41 HA1 GLY 41 -7.581 -14.006 1.856 306 H GLY 42 HN GLY 42 -10.097 -15.513 0.469 307 HA2 GLY 42 HA2 GLY 42 -12.368 -14.271 1.625 308 HA3 GLY 42 HA1 GLY 42 -12.309 -15.888 0.944 309 H HIS 43 HN HIS 43 -10.045 -16.444 2.960 310 HA HIS 43 HA HIS 43 -11.778 -17.507 4.990 311 HB2 HIS 43 HB2 HIS 43 -9.755 -18.718 4.231 312 HB3 HIS 43 HB1 HIS 43 -8.748 -17.438 4.901 313 HD1 HIS 43 HD1 HIS 43 -11.022 -20.252 5.956 314 HD2 HIS 43 HD2 HIS 43 -8.271 -17.618 7.630 315 HE1 HIS 43 HE1 HIS 43 -10.609 -21.092 8.288 316 HE2 HIS 43 HE2 HIS 43 -8.801 -19.599 9.205 317 H GLY 44 HN GLY 44 -9.796 -14.680 4.635 318 HA2 GLY 44 HA2 GLY 44 -10.841 -12.982 6.328 319 HA3 GLY 44 HA1 GLY 44 -10.065 -14.050 7.483 320 H HIS 45 HN HIS 45 -8.979 -12.800 4.323 321 HA HIS 45 HA HIS 45 -6.801 -11.425 5.752 322 HB2 HIS 45 HB2 HIS 45 -5.918 -13.463 4.656 323 HB3 HIS 45 HB1 HIS 45 -6.534 -12.889 3.112 324 HD1 HIS 45 HD1 HIS 45 -4.096 -11.733 5.796 325 HD2 HIS 45 HD2 HIS 45 -4.718 -11.454 1.697 326 HE1 HIS 45 HE1 HIS 45 -2.103 -10.500 4.894 327 HE2 HIS 45 HE2 HIS 45 -2.390 -10.570 2.395 328 HA PRO 46 HA PRO 46 -8.919 -8.065 3.590 329 HB2 PRO 46 HB2 PRO 46 -6.745 -6.580 4.974 330 HB3 PRO 46 HB1 PRO 46 -8.491 -6.275 4.964 331 HG2 PRO 46 HG2 PRO 46 -7.303 -7.311 7.117 332 HG3 PRO 46 HG1 PRO 46 -8.908 -7.871 6.605 333 HD2 PRO 46 HD2 PRO 46 -6.239 -9.173 6.241 334 HD3 PRO 46 HD1 PRO 46 -7.805 -9.903 6.647 335 H THR 47 HN THR 47 -8.434 -6.955 1.760 336 HA THR 47 HA THR 47 -6.235 -7.677 0.186 337 HB THR 47 HB THR 47 -7.836 -5.146 -0.183 338 HG1 THR 47 HG1 THR 47 -9.185 -6.843 -1.453 339 HG21 THR 47 HG21 THR 47 -7.618 -5.730 -2.578 340 HG22 THR 47 HG22 THR 47 -6.663 -7.142 -2.134 341 HG23 THR 47 HG23 THR 47 -6.046 -5.523 -1.807 342 H GLN 48 HN GLN 48 -4.362 -6.536 -0.386 343 HA GLN 48 HA GLN 48 -3.686 -4.045 0.871 344 HB2 GLN 48 HB2 GLN 48 -1.844 -4.838 2.235 345 HB3 GLN 48 HB1 GLN 48 -3.330 -5.616 2.749 346 HG2 GLN 48 HG2 GLN 48 -2.692 -7.639 1.536 347 HG3 GLN 48 HG1 GLN 48 -1.198 -6.852 1.022 348 HE21 GLN 48 HE21 GLN 48 0.126 -8.338 2.059 349 HE22 GLN 48 HE22 GLN 48 0.272 -8.417 3.778 350 H VAL 49 HN VAL 49 -1.389 -3.413 0.286 351 HA VAL 49 HA VAL 49 -0.626 -4.753 -2.224 352 HB VAL 49 HB VAL 49 -1.552 -2.548 -2.703 353 HG11 VAL 49 HG11 VAL 49 -1.092 -1.436 -0.588 354 HG12 VAL 49 HG12 VAL 49 -0.446 -0.502 -1.938 355 HG13 VAL 49 HG13 VAL 49 0.637 -1.465 -0.933 356 HG21 VAL 49 HG21 VAL 49 0.333 -1.625 -3.976 357 HG22 VAL 49 HG22 VAL 49 0.230 -3.378 -4.134 358 HG23 VAL 49 HG23 VAL 49 1.440 -2.658 -3.072 359 H ARG 50 HN ARG 50 1.309 -5.621 -2.256 360 HA ARG 50 HA ARG 50 3.190 -4.934 -0.129 361 HB2 ARG 50 HB2 ARG 50 4.398 -6.988 -0.778 362 HB3 ARG 50 HB1 ARG 50 2.723 -7.298 -0.346 363 HG2 ARG 50 HG2 ARG 50 2.140 -7.431 -2.719 364 HG3 ARG 50 HG1 ARG 50 3.825 -7.122 -3.140 365 HD2 ARG 50 HD2 ARG 50 4.521 -9.172 -2.104 366 HD3 ARG 50 HD1 ARG 50 2.901 -9.452 -1.469 367 HE ARG 50 HE ARG 50 2.658 -9.255 -4.232 368 HH11 ARG 50 HH11 ARG 50 4.254 -11.367 -1.929 369 HH12 ARG 50 HH12 ARG 50 4.124 -12.768 -2.945 370 HH21 ARG 50 HH21 ARG 50 2.517 -11.068 -5.563 371 HH22 ARG 50 HH22 ARG 50 3.140 -12.598 -5.025 372 H ILE 51 HN ILE 51 4.996 -3.884 -0.439 373 HA ILE 51 HA ILE 51 5.814 -3.244 -3.192 374 HB ILE 51 HB ILE 51 6.574 -1.755 -0.670 375 HG12 ILE 51 HG12 ILE 51 4.427 -0.983 -2.654 376 HG13 ILE 51 HG11 ILE 51 4.089 -1.768 -1.117 377 HG21 ILE 51 HG21 ILE 51 6.690 -0.967 -3.582 378 HG22 ILE 51 HG22 ILE 51 8.066 -1.456 -2.593 379 HG23 ILE 51 HG23 ILE 51 7.192 0.030 -2.217 380 HD11 ILE 51 HD11 ILE 51 3.767 0.683 -1.097 381 HD12 ILE 51 HD12 ILE 51 5.496 0.874 -1.398 382 HD13 ILE 51 HD13 ILE 51 4.937 0.111 0.089 383 H VAL 52 HN VAL 52 7.526 -4.357 -3.847 384 HA VAL 52 HA VAL 52 9.434 -5.327 -1.821 385 HB VAL 52 HB VAL 52 8.793 -6.637 -4.475 386 HG11 VAL 52 HG11 VAL 52 10.063 -8.525 -3.639 387 HG12 VAL 52 HG12 VAL 52 10.368 -7.681 -2.122 388 HG13 VAL 52 HG13 VAL 52 11.061 -7.071 -3.625 389 HG21 VAL 52 HG21 VAL 52 6.863 -6.761 -2.986 390 HG22 VAL 52 HG22 VAL 52 7.881 -7.432 -1.710 391 HG23 VAL 52 HG23 VAL 52 7.607 -8.347 -3.193 392 H ALA 53 HN ALA 53 11.521 -4.809 -2.090 393 HA ALA 53 HA ALA 53 12.284 -3.520 -4.629 394 HB1 ALA 53 HB1 ALA 53 13.454 -3.002 -1.897 395 HB2 ALA 53 HB2 ALA 53 12.265 -1.979 -2.701 396 HB3 ALA 53 HB3 ALA 53 13.874 -2.173 -3.396 397 HA PRO 54 HA PRO 54 14.892 -7.248 -4.511 398 HB2 PRO 54 HB2 PRO 54 15.269 -7.393 -7.200 399 HB3 PRO 54 HB1 PRO 54 13.821 -8.020 -6.397 400 HG2 PRO 54 HG2 PRO 54 14.210 -5.474 -7.903 401 HG3 PRO 54 HG1 PRO 54 12.809 -6.559 -7.876 402 HD2 PRO 54 HD2 PRO 54 12.968 -4.211 -6.461 403 HD3 PRO 54 HD1 PRO 54 11.943 -5.582 -5.993 404 H HIS 55 HN HIS 55 16.983 -7.072 -4.051 405 HA HIS 55 HA HIS 55 18.610 -5.149 -5.563 406 HB2 HIS 55 HB2 HIS 55 19.819 -4.541 -3.508 407 HB3 HIS 55 HB1 HIS 55 18.111 -4.139 -3.393 408 HD1 HIS 55 HD1 HIS 55 20.780 -6.033 -1.738 409 HD2 HIS 55 HD2 HIS 55 16.628 -5.901 -1.665 410 HE1 HIS 55 HE1 HIS 55 20.096 -7.267 0.344 411 HE2 HIS 55 HE2 HIS 55 17.583 -7.373 0.232 412 H ALA 56 HN ALA 56 18.206 -8.259 -4.315 413 HA ALA 56 HA ALA 56 19.422 -10.165 -4.299 414 HB1 ALA 56 HB1 ALA 56 21.064 -8.737 -6.383 415 HB2 ALA 56 HB2 ALA 56 19.635 -9.727 -6.672 416 HB3 ALA 56 HB3 ALA 56 21.108 -10.466 -6.046 417 H GLU 57 HN GLU 57 22.169 -8.030 -4.930 418 HA GLU 57 HA GLU 57 23.574 -9.211 -2.683 419 HB2 GLU 57 HB2 GLU 57 24.683 -8.903 -4.888 420 HB3 GLU 57 HB1 GLU 57 24.489 -7.166 -4.721 421 HG2 GLU 57 HG2 GLU 57 26.760 -7.977 -4.187 422 HG3 GLU 57 HG1 GLU 57 25.988 -7.107 -2.861 423 H HIS 58 HN HIS 58 24.717 -7.818 -1.142 424 HA HIS 58 HA HIS 58 23.504 -5.190 -0.722 425 HB2 HIS 58 HB2 HIS 58 23.167 -5.712 1.716 426 HB3 HIS 58 HB1 HIS 58 22.074 -6.555 0.630 427 HD1 HIS 58 HD1 HIS 58 24.497 -7.111 3.319 428 HD2 HIS 58 HD2 HIS 58 22.761 -9.364 0.282 429 HE1 HIS 58 HE1 HIS 58 24.891 -9.518 3.939 430 HE2 HIS 58 HE2 HIS 58 23.951 -10.852 2.021 431 H VAL 59 HN VAL 59 25.772 -4.958 -1.631 432 HA VAL 59 HA VAL 59 28.052 -5.498 -0.082 433 HB VAL 59 HB VAL 59 27.647 -3.249 -2.068 434 HG11 VAL 59 HG11 VAL 59 30.173 -4.472 -0.960 435 HG12 VAL 59 HG12 VAL 59 29.571 -2.844 -0.642 436 HG13 VAL 59 HG13 VAL 59 30.100 -3.288 -2.265 437 HG21 VAL 59 HG21 VAL 59 28.799 -4.780 -3.641 438 HG22 VAL 59 HG22 VAL 59 27.232 -5.386 -3.111 439 HG23 VAL 59 HG23 VAL 59 28.712 -6.050 -2.420 440 H ARG 60 HN ARG 60 28.287 -4.850 1.932 441 HA ARG 60 HA ARG 60 28.369 -3.589 3.818 442 HB2 ARG 60 HB2 ARG 60 28.278 -1.236 1.916 443 HB3 ARG 60 HB1 ARG 60 28.706 -1.154 3.618 444 HG2 ARG 60 HG2 ARG 60 30.674 -2.541 3.187 445 HG3 ARG 60 HG1 ARG 60 30.235 -2.628 1.481 446 HD2 ARG 60 HD2 ARG 60 31.011 -0.168 3.042 447 HD3 ARG 60 HD1 ARG 60 31.924 -0.944 1.750 448 HE ARG 60 HE ARG 60 29.585 -0.327 0.547 449 HH11 ARG 60 HH11 ARG 60 31.879 1.536 2.416 450 HH12 ARG 60 HH12 ARG 60 31.495 3.034 1.632 451 HH21 ARG 60 HH21 ARG 60 29.070 1.634 -0.486 452 HH22 ARG 60 HH22 ARG 60 29.894 3.090 -0.025 453 H GLY 61 HN GLY 61 25.833 -4.402 2.572 454 HA2 GLY 61 HA2 GLY 61 24.069 -2.372 3.802 455 HA3 GLY 61 HA1 GLY 61 23.622 -3.270 2.357 456 H TYR 62 HN TYR 62 22.012 -3.234 4.603 457 HA TYR 62 HA TYR 62 22.500 -5.392 6.370 458 HB2 TYR 62 HB2 TYR 62 19.852 -4.088 5.665 459 HB3 TYR 62 HB1 TYR 62 20.155 -5.112 7.065 460 HD1 TYR 62 HD2 TYR 62 21.816 -4.285 8.812 461 HD2 TYR 62 HD1 TYR 62 20.235 -1.764 5.769 462 HE1 TYR 62 HE2 TYR 62 22.441 -2.312 10.131 463 HE2 TYR 62 HE1 TYR 62 20.857 0.216 7.087 464 HH TYR 62 HH TYR 62 21.293 0.796 9.447 465 H ALA 63 HN ALA 63 21.772 -7.489 6.357 466 HA ALA 63 HA ALA 63 21.017 -8.582 3.782 467 HB1 ALA 63 HB1 ALA 63 22.680 -9.732 5.161 468 HB2 ALA 63 HB2 ALA 63 21.278 -10.756 4.855 469 HB3 ALA 63 HB3 ALA 63 21.472 -9.971 6.422 470 H HIS 64 HN HIS 64 19.080 -6.916 4.601 471 HA HIS 64 HA HIS 64 16.891 -8.690 5.465 472 HB2 HIS 64 HB2 HIS 64 17.367 -5.775 6.132 473 HB3 HIS 64 HB1 HIS 64 15.799 -6.551 6.327 474 HD1 HIS 64 HD1 HIS 64 15.606 -6.511 8.817 475 HD2 HIS 64 HD2 HIS 64 19.227 -8.116 7.540 476 HE1 HIS 64 HE1 HIS 64 16.714 -7.426 10.882 477 HE2 HIS 64 HE2 HIS 64 18.969 -8.234 10.110 478 HA PRO 65 HA PRO 65 15.574 -7.532 1.334 479 HB2 PRO 65 HB2 PRO 65 13.366 -9.124 1.303 480 HB3 PRO 65 HB1 PRO 65 14.995 -9.738 1.007 481 HG2 PRO 65 HG2 PRO 65 13.355 -9.838 3.505 482 HG3 PRO 65 HG1 PRO 65 14.392 -11.088 2.794 483 HD2 PRO 65 HD2 PRO 65 15.173 -9.540 4.881 484 HD3 PRO 65 HD1 PRO 65 16.311 -10.177 3.679 485 H LEU 66 HN LEU 66 14.127 -6.014 0.616 486 HA LEU 66 HA LEU 66 12.512 -4.747 2.664 487 HB2 LEU 66 HB2 LEU 66 13.986 -3.488 1.051 488 HB3 LEU 66 HB1 LEU 66 12.857 -3.923 -0.216 489 HG LEU 66 HG LEU 66 11.890 -2.437 2.206 490 HD11 LEU 66 HD11 LEU 66 12.289 -0.337 0.989 491 HD12 LEU 66 HD12 LEU 66 13.186 -1.235 -0.237 492 HD13 LEU 66 HD13 LEU 66 13.789 -1.157 1.419 493 HD21 LEU 66 HD21 LEU 66 10.233 -3.349 0.654 494 HD22 LEU 66 HD22 LEU 66 11.006 -2.494 -0.680 495 HD23 LEU 66 HD23 LEU 66 10.236 -1.585 0.620 496 H ASN 67 HN ASN 67 10.536 -5.376 3.012 497 HA ASN 67 HA ASN 67 8.741 -5.953 0.792 498 HB2 ASN 67 HB2 ASN 67 9.641 -8.159 1.539 499 HB3 ASN 67 HB1 ASN 67 9.055 -7.821 3.166 500 HD21 ASN 67 HD21 ASN 67 6.809 -7.811 3.545 501 HD22 ASN 67 HD22 ASN 67 5.705 -8.583 2.458 502 H LEU 68 HN LEU 68 7.351 -4.353 1.124 503 HA LEU 68 HA LEU 68 6.460 -3.815 3.877 504 HB2 LEU 68 HB2 LEU 68 7.532 -1.886 2.973 505 HB3 LEU 68 HB1 LEU 68 6.692 -2.048 1.446 506 HG LEU 68 HG LEU 68 4.587 -1.394 2.528 507 HD11 LEU 68 HD11 LEU 68 5.003 -2.219 4.767 508 HD12 LEU 68 HD12 LEU 68 4.630 -0.498 4.810 509 HD13 LEU 68 HD13 LEU 68 6.297 -1.042 4.981 510 HD21 LEU 68 HD21 LEU 68 6.158 0.276 1.534 511 HD22 LEU 68 HD22 LEU 68 6.778 0.574 3.157 512 HD23 LEU 68 HD23 LEU 68 5.092 0.924 2.779 513 H ALA 69 HN ALA 69 4.427 -4.264 4.373 514 HA ALA 69 HA ALA 69 2.520 -4.691 2.161 515 HB1 ALA 69 HB1 ALA 69 3.018 -6.710 3.467 516 HB2 ALA 69 HB2 ALA 69 1.329 -6.227 3.617 517 HB3 ALA 69 HB3 ALA 69 2.462 -5.892 4.926 518 H LEU 70 HN LEU 70 1.163 -3.072 1.941 519 HA LEU 70 HA LEU 70 0.428 -1.450 4.272 520 HB2 LEU 70 HB2 LEU 70 0.057 -0.969 1.309 521 HB3 LEU 70 HB1 LEU 70 -0.449 0.141 2.567 522 HG LEU 70 HG LEU 70 2.420 -0.668 2.057 523 HD11 LEU 70 HD11 LEU 70 0.953 1.845 1.285 524 HD12 LEU 70 HD12 LEU 70 1.489 0.579 0.180 525 HD13 LEU 70 HD13 LEU 70 2.677 1.533 1.070 526 HD21 LEU 70 HD21 LEU 70 2.063 0.017 4.344 527 HD22 LEU 70 HD22 LEU 70 1.180 1.447 3.810 528 HD23 LEU 70 HD23 LEU 70 2.904 1.299 3.473 529 H THR 71 HN THR 71 -1.375 -2.095 5.279 530 HA THR 71 HA THR 71 -3.705 -2.684 3.585 531 HB THR 71 HB THR 71 -2.916 -4.802 4.582 532 HG1 THR 71 HG1 THR 71 -5.105 -4.741 4.272 533 HG21 THR 71 HG21 THR 71 -3.097 -5.169 7.000 534 HG22 THR 71 HG22 THR 71 -3.485 -3.466 7.228 535 HG23 THR 71 HG23 THR 71 -1.896 -3.933 6.624 536 H TRP 72 HN TRP 72 -5.762 -2.100 4.540 537 HA TRP 72 HA TRP 72 -5.442 0.130 6.435 538 HB2 TRP 72 HB2 TRP 72 -7.056 0.062 3.877 539 HB3 TRP 72 HB1 TRP 72 -7.224 1.319 5.104 540 HD1 TRP 72 HD1 TRP 72 -5.308 3.146 5.261 541 HE1 TRP 72 HE1 TRP 72 -3.375 3.793 3.696 542 HE3 TRP 72 HE3 TRP 72 -5.346 -0.942 2.192 543 HZ2 TRP 72 HZ2 TRP 72 -2.045 2.718 1.454 544 HZ3 TRP 72 HZ3 TRP 72 -3.708 -1.053 0.357 545 HH2 TRP 72 HH2 TRP 72 -2.094 0.743 0.001 546 H ASN 73 HN ASN 73 -7.265 0.719 7.641 547 HA ASN 73 HA ASN 73 -8.680 -1.402 8.793 548 HB2 ASN 73 HB2 ASN 73 -9.068 1.589 8.888 549 HB3 ASN 73 HB1 ASN 73 -10.062 0.477 9.829 550 HD21 ASN 73 HD21 ASN 73 -8.028 2.576 10.553 551 HD22 ASN 73 HD22 ASN 73 -6.938 1.749 11.618 552 H THR 74 HN THR 74 -10.630 -2.246 8.498 553 HA THR 74 HA THR 74 -11.814 -2.211 5.982 554 HB THR 74 HB THR 74 -13.228 -3.045 8.513 555 HG1 THR 74 HG1 THR 74 -11.911 -4.718 8.658 556 HG21 THR 74 HG21 THR 74 -13.307 -4.154 5.701 557 HG22 THR 74 HG22 THR 74 -14.543 -3.129 6.430 558 HG23 THR 74 HG23 THR 74 -14.238 -4.741 7.080 559 H ASP 75 HN ASP 75 -12.517 -0.267 8.818 560 HA ASP 75 HA ASP 75 -15.029 0.737 8.094 561 HB2 ASP 75 HB2 ASP 75 -12.763 2.042 9.617 562 HB3 ASP 75 HB1 ASP 75 -14.347 2.782 9.426 563 H GLU 76 HN GLU 76 -11.816 2.073 7.470 564 HA GLU 76 HA GLU 76 -12.693 4.155 5.808 565 HB2 GLU 76 HB2 GLU 76 -9.998 2.810 5.952 566 HB3 GLU 76 HB1 GLU 76 -10.330 4.300 5.076 567 HG2 GLU 76 HG2 GLU 76 -10.631 3.882 8.040 568 HG3 GLU 76 HG1 GLU 76 -9.343 4.777 7.234 569 H ILE 77 HN ILE 77 -11.585 0.856 4.981 570 HA ILE 77 HA ILE 77 -11.836 1.034 2.228 571 HB ILE 77 HB ILE 77 -12.599 -1.324 3.964 572 HG12 ILE 77 HG12 ILE 77 -9.958 -0.613 2.653 573 HG13 ILE 77 HG11 ILE 77 -10.300 -0.567 4.381 574 HG21 ILE 77 HG21 ILE 77 -12.131 -2.685 1.967 575 HG22 ILE 77 HG22 ILE 77 -11.874 -1.211 1.035 576 HG23 ILE 77 HG23 ILE 77 -13.465 -1.563 1.703 577 HD11 ILE 77 HD11 ILE 77 -10.625 -2.983 4.387 578 HD12 ILE 77 HD12 ILE 77 -9.030 -2.551 3.772 579 HD13 ILE 77 HD13 ILE 77 -10.305 -3.034 2.653 580 H GLU 78 HN GLU 78 -14.356 0.424 4.644 581 HA GLU 78 HA GLU 78 -16.494 0.107 2.819 582 HB2 GLU 78 HB2 GLU 78 -16.560 -0.609 5.193 583 HB3 GLU 78 HB1 GLU 78 -16.554 1.077 5.686 584 HG2 GLU 78 HG2 GLU 78 -18.703 1.426 4.631 585 HG3 GLU 78 HG1 GLU 78 -18.706 -0.238 4.045 586 H ARG 79 HN ARG 79 -15.057 2.888 4.390 587 HA ARG 79 HA ARG 79 -16.872 4.885 3.839 588 HB2 ARG 79 HB2 ARG 79 -14.496 4.872 5.017 589 HB3 ARG 79 HB1 ARG 79 -13.964 5.449 3.445 590 HG2 ARG 79 HG2 ARG 79 -14.323 7.397 4.641 591 HG3 ARG 79 HG1 ARG 79 -15.815 7.220 3.712 592 HD2 ARG 79 HD2 ARG 79 -16.303 7.812 6.026 593 HD3 ARG 79 HD1 ARG 79 -16.893 6.191 5.656 594 HE ARG 79 HE ARG 79 -14.263 6.450 6.914 595 HH11 ARG 79 HH11 ARG 79 -17.643 5.584 7.211 596 HH12 ARG 79 HH12 ARG 79 -17.406 4.671 8.665 597 HH21 ARG 79 HH21 ARG 79 -13.950 5.275 8.821 598 HH22 ARG 79 HH22 ARG 79 -15.308 4.506 9.594 599 H LEU 80 HN LEU 80 -14.707 3.249 1.654 600 HA LEU 80 HA LEU 80 -14.641 5.189 -0.404 601 HB2 LEU 80 HB2 LEU 80 -14.261 2.196 -0.546 602 HB3 LEU 80 HB1 LEU 80 -13.874 3.319 -1.840 603 HG LEU 80 HG LEU 80 -12.565 3.283 0.886 604 HD11 LEU 80 HD11 LEU 80 -10.593 2.466 -0.319 605 HD12 LEU 80 HD12 LEU 80 -11.546 2.366 -1.799 606 HD13 LEU 80 HD13 LEU 80 -11.943 1.336 -0.422 607 HD21 LEU 80 HD21 LEU 80 -10.970 4.860 -0.121 608 HD22 LEU 80 HD22 LEU 80 -12.602 5.523 -0.064 609 HD23 LEU 80 HD23 LEU 80 -11.954 4.906 -1.583 610 H MET 81 HN MET 81 -17.095 3.024 0.590 611 HA MET 81 HA MET 81 -18.462 2.887 -1.931 612 HB2 MET 81 HB2 MET 81 -19.205 2.181 0.893 613 HB3 MET 81 HB1 MET 81 -20.419 2.183 -0.377 614 HG2 MET 81 HG2 MET 81 -17.891 0.547 -0.374 615 HG3 MET 81 HG1 MET 81 -19.510 -0.045 0.015 616 HE1 MET 81 HE1 MET 81 -21.201 1.687 -2.224 617 HE2 MET 81 HE2 MET 81 -21.530 0.028 -1.730 618 HE3 MET 81 HE3 MET 81 -21.347 0.417 -3.439 619 H GLU 82 HN GLU 82 -18.181 5.228 0.521 620 HA GLU 82 HA GLU 82 -20.705 6.522 -0.092 621 HB2 GLU 82 HB2 GLU 82 -18.412 7.328 1.719 622 HB3 GLU 82 HB1 GLU 82 -19.891 8.257 1.533 623 HG2 GLU 82 HG2 GLU 82 -19.691 5.449 2.597 624 HG3 GLU 82 HG1 GLU 82 -19.910 6.908 3.554 625 H ALA 83 HN ALA 83 -20.820 8.698 -0.963 626 HA ALA 83 HA ALA 83 -19.221 9.131 -3.217 627 HB1 ALA 83 HB1 ALA 83 -20.271 11.330 -3.356 628 HB2 ALA 83 HB2 ALA 83 -20.859 11.164 -1.702 629 HB3 ALA 83 HB3 ALA 83 -21.459 10.087 -2.963 630 H ASP 84 HN ASP 84 -19.094 10.662 -0.015 631 HA ASP 84 HA ASP 84 -16.814 12.267 -0.604 632 HB2 ASP 84 HB2 ASP 84 -18.043 11.436 2.035 633 HB3 ASP 84 HB1 ASP 84 -16.683 12.543 1.901 634 H GLY 85 HN GLY 85 -17.137 8.995 -0.192 635 HA2 GLY 85 HA2 GLY 85 -14.666 8.496 1.213 636 HA3 GLY 85 HA1 GLY 85 -15.697 7.296 0.434 637 H ALA 86 HN ALA 86 -15.807 7.890 -2.133 638 HA ALA 86 HA ALA 86 -13.376 7.383 -3.302 639 HB1 ALA 86 HB1 ALA 86 -15.662 8.922 -4.527 640 HB2 ALA 86 HB2 ALA 86 -15.544 7.166 -4.438 641 HB3 ALA 86 HB3 ALA 86 -14.383 8.079 -5.402 642 H ALA 87 HN ALA 87 -14.839 10.513 -2.564 643 HA ALA 87 HA ALA 87 -12.884 12.138 -3.770 644 HB1 ALA 87 HB1 ALA 87 -13.740 13.927 -2.359 645 HB2 ALA 87 HB2 ALA 87 -14.593 12.748 -1.364 646 HB3 ALA 87 HB3 ALA 87 -15.064 12.986 -3.045 647 H ARG 88 HN ARG 88 -13.034 10.563 -0.641 648 HA ARG 88 HA ARG 88 -10.818 11.922 0.517 649 HB2 ARG 88 HB2 ARG 88 -12.564 10.698 1.818 650 HB3 ARG 88 HB1 ARG 88 -11.924 9.187 1.189 651 HG2 ARG 88 HG2 ARG 88 -9.797 9.607 2.291 652 HG3 ARG 88 HG1 ARG 88 -10.408 11.147 2.899 653 HD2 ARG 88 HD2 ARG 88 -11.506 8.414 3.549 654 HD3 ARG 88 HD1 ARG 88 -10.530 9.423 4.617 655 HE ARG 88 HE ARG 88 -12.839 10.823 3.761 656 HH11 ARG 88 HH11 ARG 88 -11.835 8.269 5.962 657 HH12 ARG 88 HH12 ARG 88 -13.151 8.550 7.062 658 HH21 ARG 88 HH21 ARG 88 -14.573 11.154 5.196 659 HH22 ARG 88 HH22 ARG 88 -14.710 10.172 6.625 660 H PHE 89 HN PHE 89 -11.240 9.039 -1.425 661 HA PHE 89 HA PHE 89 -8.641 7.992 -1.224 662 HB2 PHE 89 HB2 PHE 89 -10.600 6.788 -2.209 663 HB3 PHE 89 HB1 PHE 89 -10.497 7.844 -3.616 664 HD1 PHE 89 HD2 PHE 89 -8.820 5.154 -1.750 665 HD2 PHE 89 HD1 PHE 89 -8.861 7.479 -5.316 666 HE1 PHE 89 HE2 PHE 89 -7.217 3.606 -2.777 667 HE2 PHE 89 HE1 PHE 89 -7.259 5.932 -6.346 668 HZ PHE 89 HZ PHE 89 -6.431 3.992 -5.077 669 H GLU 90 HN GLU 90 -10.051 10.412 -3.386 670 HA GLU 90 HA GLU 90 -7.823 10.719 -5.083 671 HB2 GLU 90 HB2 GLU 90 -10.012 12.663 -4.327 672 HB3 GLU 90 HB1 GLU 90 -8.819 12.979 -5.578 673 HG2 GLU 90 HG2 GLU 90 -10.892 10.797 -5.563 674 HG3 GLU 90 HG1 GLU 90 -10.863 12.233 -6.584 675 H ARG 91 HN ARG 91 -8.761 12.307 -2.075 676 HA ARG 91 HA ARG 91 -6.590 14.150 -2.122 677 HB2 ARG 91 HB2 ARG 91 -8.756 14.490 -0.888 678 HB3 ARG 91 HB1 ARG 91 -8.219 13.284 0.271 679 HG2 ARG 91 HG2 ARG 91 -7.841 15.561 1.073 680 HG3 ARG 91 HG1 ARG 91 -6.328 14.672 0.883 681 HD2 ARG 91 HD2 ARG 91 -5.936 15.774 -1.256 682 HD3 ARG 91 HD1 ARG 91 -7.467 16.637 -1.105 683 HE ARG 91 HE ARG 91 -6.026 17.255 1.159 684 HH11 ARG 91 HH11 ARG 91 -5.539 17.575 -2.292 685 HH12 ARG 91 HH12 ARG 91 -4.625 19.041 -2.153 686 HH21 ARG 91 HH21 ARG 91 -4.819 19.183 1.343 687 HH22 ARG 91 HH22 ARG 91 -4.213 19.952 -0.087 688 H TYR 92 HN TYR 92 -7.029 10.897 -1.005 689 HA TYR 92 HA TYR 92 -4.797 10.824 0.767 690 HB2 TYR 92 HB2 TYR 92 -6.710 9.198 0.833 691 HB3 TYR 92 HB1 TYR 92 -6.115 8.511 -0.675 692 HD1 TYR 92 HD1 TYR 92 -4.955 9.265 2.797 693 HD2 TYR 92 HD2 TYR 92 -4.678 6.696 -0.585 694 HE1 TYR 92 HE1 TYR 92 -3.482 7.760 4.069 695 HE2 TYR 92 HE2 TYR 92 -3.206 5.183 0.678 696 HH TYR 92 HH TYR 92 -2.787 5.407 4.045 697 H LEU 93 HN LEU 93 -5.242 10.427 -2.663 698 HA LEU 93 HA LEU 93 -2.788 9.206 -3.298 699 HB2 LEU 93 HB2 LEU 93 -4.377 11.194 -4.933 700 HB3 LEU 93 HB1 LEU 93 -3.100 10.162 -5.551 701 HG LEU 93 HG LEU 93 -5.736 9.193 -4.430 702 HD11 LEU 93 HD11 LEU 93 -6.038 10.335 -6.545 703 HD12 LEU 93 HD12 LEU 93 -6.239 8.595 -6.753 704 HD13 LEU 93 HD13 LEU 93 -4.746 9.378 -7.269 705 HD21 LEU 93 HD21 LEU 93 -3.994 7.561 -4.064 706 HD22 LEU 93 HD22 LEU 93 -3.457 7.712 -5.736 707 HD23 LEU 93 HD23 LEU 93 -5.039 7.020 -5.377 708 H ALA 94 HN ALA 94 -3.672 12.534 -2.665 709 HA ALA 94 HA ALA 94 -1.122 13.625 -3.364 710 HB1 ALA 94 HB1 ALA 94 -3.170 14.973 -3.396 711 HB2 ALA 94 HB2 ALA 94 -1.938 15.679 -2.351 712 HB3 ALA 94 HB3 ALA 94 -3.300 14.806 -1.646 713 H ALA 95 HN ALA 95 -2.392 12.027 -0.604 714 HA ALA 95 HA ALA 95 -0.356 13.132 1.173 715 HB1 ALA 95 HB1 ALA 95 -2.672 12.968 1.979 716 HB2 ALA 95 HB2 ALA 95 -1.552 12.022 2.960 717 HB3 ALA 95 HB3 ALA 95 -2.598 11.216 1.791 718 H LEU 96 HN LEU 96 -0.692 10.552 -0.935 719 HA LEU 96 HA LEU 96 0.374 8.381 0.408 720 HB2 LEU 96 HB2 LEU 96 0.601 9.200 -2.475 721 HB3 LEU 96 HB1 LEU 96 1.287 7.706 -1.880 722 HG LEU 96 HG LEU 96 -1.637 8.413 -1.687 723 HD11 LEU 96 HD11 LEU 96 -0.929 8.203 -4.017 724 HD12 LEU 96 HD12 LEU 96 -1.956 6.853 -3.532 725 HD13 LEU 96 HD13 LEU 96 -0.211 6.632 -3.658 726 HD21 LEU 96 HD21 LEU 96 -0.958 6.825 0.003 727 HD22 LEU 96 HD22 LEU 96 -0.119 5.852 -1.204 728 HD23 LEU 96 HD23 LEU 96 -1.876 5.988 -1.250 729 HA PRO 97 HA PRO 97 4.869 9.742 -0.825 730 HB2 PRO 97 HB2 PRO 97 5.206 12.422 -1.276 731 HB3 PRO 97 HB1 PRO 97 4.988 11.228 -2.558 732 HG2 PRO 97 HG2 PRO 97 2.969 13.055 -1.307 733 HG3 PRO 97 HG1 PRO 97 3.207 12.654 -3.020 734 HD2 PRO 97 HD2 PRO 97 1.260 11.513 -1.577 735 HD3 PRO 97 HD1 PRO 97 2.151 10.601 -2.814 736 H ARG 98 HN ARG 98 2.673 11.822 0.934 737 HA ARG 98 HA ARG 98 4.625 12.899 2.720 738 HB2 ARG 98 HB2 ARG 98 1.626 12.698 3.078 739 HB3 ARG 98 HB1 ARG 98 2.713 13.717 4.010 740 HG2 ARG 98 HG2 ARG 98 3.272 14.945 1.942 741 HG3 ARG 98 HG1 ARG 98 2.087 13.967 1.076 742 HD2 ARG 98 HD2 ARG 98 1.112 16.095 1.689 743 HD3 ARG 98 HD1 ARG 98 0.333 14.795 2.589 744 HE ARG 98 HE ARG 98 2.438 15.820 4.135 745 HH11 ARG 98 HH11 ARG 98 -0.711 16.783 2.939 746 HH12 ARG 98 HH12 ARG 98 -1.007 17.889 4.242 747 HH21 ARG 98 HH21 ARG 98 2.047 17.263 5.851 748 HH22 ARG 98 HH22 ARG 98 0.561 18.158 5.906 749 H LYS 99 HN LYS 99 2.392 10.185 2.774 750 HA LYS 99 HA LYS 99 3.060 9.416 5.466 751 HB2 LYS 99 HB2 LYS 99 1.627 7.919 3.266 752 HB3 LYS 99 HB1 LYS 99 1.800 7.338 4.908 753 HG2 LYS 99 HG2 LYS 99 0.277 9.766 3.988 754 HG3 LYS 99 HG1 LYS 99 -0.390 8.270 4.639 755 HD2 LYS 99 HD2 LYS 99 1.358 10.215 6.149 756 HD3 LYS 99 HD1 LYS 99 -0.393 10.093 6.292 757 HE2 LYS 99 HE2 LYS 99 1.528 7.851 6.905 758 HE3 LYS 99 HE1 LYS 99 0.863 8.949 8.111 759 HZ1 LYS 99 HZ1 LYS 99 -1.352 8.178 7.533 760 HZ2 LYS 99 HZ2 LYS 99 -0.381 6.892 8.029 761 HZ3 LYS 99 HZ3 LYS 99 -0.714 7.114 6.388 762 H LEU 100 HN LEU 100 4.030 8.593 2.217 763 HA LEU 100 HA LEU 100 5.548 6.318 2.655 764 HB2 LEU 100 HB2 LEU 100 4.931 7.260 0.447 765 HB3 LEU 100 HB1 LEU 100 6.087 8.551 0.699 766 HG LEU 100 HG LEU 100 7.889 6.792 0.802 767 HD11 LEU 100 HD11 LEU 100 5.634 5.048 -0.168 768 HD12 LEU 100 HD12 LEU 100 6.589 4.841 1.301 769 HD13 LEU 100 HD13 LEU 100 7.342 4.630 -0.278 770 HD21 LEU 100 HD21 LEU 100 7.529 8.161 -1.172 771 HD22 LEU 100 HD22 LEU 100 6.293 7.040 -1.742 772 HD23 LEU 100 HD23 LEU 100 7.973 6.517 -1.630 773 H ALA 101 HN ALA 101 6.582 9.718 2.691 774 HA ALA 101 HA ALA 101 9.275 9.267 3.347 775 HB1 ALA 101 HB1 ALA 101 9.332 11.611 3.989 776 HB2 ALA 101 HB2 ALA 101 7.570 11.659 4.030 777 HB3 ALA 101 HB3 ALA 101 8.409 11.405 2.500 778 H ALA 102 HN ALA 102 6.398 9.373 5.251 779 HA ALA 102 HA ALA 102 7.670 9.741 7.786 780 HB1 ALA 102 HB1 ALA 102 4.896 8.759 7.120 781 HB2 ALA 102 HB2 ALA 102 5.366 10.425 7.452 782 HB3 ALA 102 HB3 ALA 102 5.464 9.213 8.726 783 H TRP 103 HN TRP 103 6.522 6.972 5.926 784 HA TRP 103 HA TRP 103 6.916 5.055 7.980 785 HB2 TRP 103 HB2 TRP 103 6.769 4.707 4.973 786 HB3 TRP 103 HB1 TRP 103 6.766 3.377 6.131 787 HD1 TRP 103 HD1 TRP 103 4.700 4.695 8.234 788 HE1 TRP 103 HE1 TRP 103 2.211 4.827 7.598 789 HE3 TRP 103 HE3 TRP 103 5.141 4.278 3.165 790 HZ2 TRP 103 HZ2 TRP 103 0.644 4.765 5.254 791 HZ3 TRP 103 HZ3 TRP 103 3.099 4.325 1.796 792 HH2 TRP 103 HH2 TRP 103 0.897 4.560 2.821 793 H GLU 104 HN GLU 104 8.956 6.221 5.330 794 HA GLU 104 HA GLU 104 11.009 4.345 5.516 795 HB2 GLU 104 HB2 GLU 104 11.182 7.275 4.809 796 HB3 GLU 104 HB1 GLU 104 12.481 6.122 4.572 797 HG2 GLU 104 HG2 GLU 104 10.984 4.840 3.051 798 HG3 GLU 104 HG1 GLU 104 9.803 6.148 3.206 799 H ASN 105 HN ASN 105 10.740 7.502 7.090 800 HA ASN 105 HA ASN 105 13.155 7.231 8.540 801 HB2 ASN 105 HB2 ASN 105 10.829 9.129 8.756 802 HB3 ASN 105 HB1 ASN 105 12.210 9.219 9.845 803 HD21 ASN 105 HD21 ASN 105 14.208 9.895 9.046 804 HD22 ASN 105 HD22 ASN 105 14.372 10.643 7.493 805 H ALA 106 HN ALA 106 9.871 6.295 9.246 806 HA ALA 106 HA ALA 106 10.353 6.068 12.078 807 HB1 ALA 106 HB1 ALA 106 8.012 5.058 10.473 808 HB2 ALA 106 HB2 ALA 106 8.136 6.666 11.185 809 HB3 ALA 106 HB3 ALA 106 8.088 5.242 12.225 810 H ARG 107 HN ARG 107 9.963 3.786 9.373 811 HA ARG 107 HA ARG 107 10.383 1.590 11.266 812 HB2 ARG 107 HB2 ARG 107 9.426 1.545 8.407 813 HB3 ARG 107 HB1 ARG 107 9.610 0.123 9.423 814 HG2 ARG 107 HG2 ARG 107 7.712 2.422 9.860 815 HG3 ARG 107 HG1 ARG 107 7.300 0.783 9.356 816 HD2 ARG 107 HD2 ARG 107 8.414 1.648 12.027 817 HD3 ARG 107 HD1 ARG 107 6.812 1.000 11.701 818 HE ARG 107 HE ARG 107 9.328 -0.532 11.573 819 HH11 ARG 107 HH11 ARG 107 5.845 -0.394 11.916 820 HH12 ARG 107 HH12 ARG 107 5.688 -2.084 12.261 821 HH21 ARG 107 HH21 ARG 107 9.137 -2.745 12.044 822 HH22 ARG 107 HH22 ARG 107 7.563 -3.426 12.338 823 H GLY 108 HN GLY 108 12.378 3.440 9.589 824 HA2 GLY 108 HA2 GLY 108 14.581 3.172 8.959 825 HA3 GLY 108 HA1 GLY 108 14.510 1.565 9.678 826 H VAL 109 HN VAL 109 12.841 3.093 6.966 827 HA VAL 109 HA VAL 109 13.604 0.774 5.312 828 HB VAL 109 HB VAL 109 11.101 2.464 5.106 829 HG11 VAL 109 HG11 VAL 109 11.936 0.094 3.445 830 HG12 VAL 109 HG12 VAL 109 11.892 1.771 2.899 831 HG13 VAL 109 HG13 VAL 109 10.396 0.946 3.340 832 HG21 VAL 109 HG21 VAL 109 9.907 0.426 5.705 833 HG22 VAL 109 HG22 VAL 109 11.045 0.885 6.972 834 HG23 VAL 109 HG23 VAL 109 11.438 -0.431 5.867 835 H ASP 110 HN ASP 110 14.671 1.198 3.434 836 HA ASP 110 HA ASP 110 14.749 3.975 2.493 837 HB2 ASP 110 HB2 ASP 110 16.726 3.581 3.976 838 HB3 ASP 110 HB1 ASP 110 17.241 2.295 2.882 839 H PHE 111 HN PHE 111 14.057 3.891 0.471 840 HA PHE 111 HA PHE 111 14.091 1.430 -0.992 841 HB2 PHE 111 HB2 PHE 111 13.121 4.190 -1.707 842 HB3 PHE 111 HB1 PHE 111 12.949 2.794 -2.767 843 HD1 PHE 111 HD1 PHE 111 11.499 0.904 -2.102 844 HD2 PHE 111 HD2 PHE 111 11.732 4.477 0.203 845 HE1 PHE 111 HE1 PHE 111 9.407 0.303 -0.963 846 HE2 PHE 111 HE2 PHE 111 9.643 3.877 1.347 847 HZ PHE 111 HZ PHE 111 8.529 1.707 0.826 848 H GLY 112 HN GLY 112 16.276 4.019 -0.740 849 HA2 GLY 112 HA2 GLY 112 17.462 3.729 -3.339 850 HA3 GLY 112 HA1 GLY 112 18.176 4.544 -1.951 851 H SER 113 HN SER 113 18.236 2.550 -0.092 852 HA SER 113 HA SER 113 20.415 0.929 -1.030 853 HB2 SER 113 HB2 SER 113 19.014 0.775 1.648 854 HB3 SER 113 HB1 SER 113 20.660 0.265 1.267 855 HG SER 113 HG SER 113 19.617 2.907 1.377 856 H ARG 114 HN ARG 114 17.039 0.619 -0.718 857 HA ARG 114 HA ARG 114 15.550 -0.991 -1.239 858 HB2 ARG 114 HB2 ARG 114 17.987 -2.239 -2.499 859 HB3 ARG 114 HB1 ARG 114 16.379 -2.955 -2.610 860 HG2 ARG 114 HG2 ARG 114 15.550 -0.953 -3.720 861 HG3 ARG 114 HG1 ARG 114 17.140 -0.203 -3.576 862 HD2 ARG 114 HD2 ARG 114 16.659 -2.793 -5.029 863 HD3 ARG 114 HD1 ARG 114 16.596 -1.218 -5.816 864 HE ARG 114 HE ARG 114 19.026 -1.343 -4.494 865 HH11 ARG 114 HH11 ARG 114 17.404 -3.116 -7.036 866 HH12 ARG 114 HH12 ARG 114 18.870 -3.502 -7.883 867 HH21 ARG 114 HH21 ARG 114 20.967 -1.842 -5.614 868 HH22 ARG 114 HH22 ARG 114 20.896 -2.785 -7.069 869 H THR 115 HN THR 115 17.073 -1.004 1.265 870 HA THR 115 HA THR 115 16.420 -3.741 2.103 871 HB THR 115 HB THR 115 18.330 -3.511 3.769 872 HG1 THR 115 HG1 THR 115 18.831 -1.339 3.601 873 HG21 THR 115 HG21 THR 115 18.490 -4.990 1.833 874 HG22 THR 115 HG22 THR 115 20.043 -4.224 2.160 875 HG23 THR 115 HG23 THR 115 19.035 -3.640 0.837 876 H GLN 116 HN GLN 116 16.492 -3.678 4.705 877 HA GLN 116 HA GLN 116 15.363 -1.175 5.676 878 HB2 GLN 116 HB2 GLN 116 13.448 -2.356 6.729 879 HB3 GLN 116 HB1 GLN 116 13.390 -2.377 4.975 880 HG2 GLN 116 HG2 GLN 116 14.078 -4.656 4.903 881 HG3 GLN 116 HG1 GLN 116 14.428 -4.662 6.631 882 HE21 GLN 116 HE21 GLN 116 12.592 -6.337 5.023 883 HE22 GLN 116 HE22 GLN 116 11.046 -6.150 5.774 884 H ALA 117 HN ALA 117 15.526 -0.860 7.876 885 HA ALA 117 HA ALA 117 17.592 -2.382 9.185 886 HB1 ALA 117 HB1 ALA 117 15.943 -0.082 10.226 887 HB2 ALA 117 HB2 ALA 117 17.481 0.066 9.378 888 HB3 ALA 117 HB3 ALA 117 17.415 -0.724 10.952 889 H ASP 118 HN ASP 118 14.199 -2.439 9.047 890 HA ASP 118 HA ASP 118 13.844 -3.739 11.621 891 HB2 ASP 118 HB2 ASP 118 12.170 -2.142 10.305 892 HB3 ASP 118 HB1 ASP 118 11.693 -3.657 9.539 893 H ALA 119 HN ALA 119 12.527 -5.864 11.564 894 HA ALA 119 HA ALA 119 13.970 -7.755 9.933 895 HB1 ALA 119 HB1 ALA 119 12.678 -9.456 11.094 896 HB2 ALA 119 HB2 ALA 119 11.616 -8.220 11.765 897 HB3 ALA 119 HB3 ALA 119 13.309 -8.284 12.251 898 H LEU 120 HN LEU 120 10.705 -6.475 10.125 899 HA LEU 120 HA LEU 120 10.235 -6.819 7.344 900 HB2 LEU 120 HB2 LEU 120 9.816 -9.132 8.176 901 HB3 LEU 120 HB1 LEU 120 8.605 -8.497 9.264 902 HG LEU 120 HG LEU 120 7.263 -7.764 7.328 903 HD11 LEU 120 HD11 LEU 120 8.991 -7.414 5.694 904 HD12 LEU 120 HD12 LEU 120 7.862 -8.625 5.092 905 HD13 LEU 120 HD13 LEU 120 9.428 -9.122 5.734 906 HD21 LEU 120 HD21 LEU 120 6.844 -9.926 8.352 907 HD22 LEU 120 HD22 LEU 120 8.040 -10.673 7.294 908 HD23 LEU 120 HD23 LEU 120 6.564 -9.989 6.613 909 H VAL 121 HN VAL 121 8.483 -5.488 6.703 910 HA VAL 121 HA VAL 121 7.339 -3.966 8.933 911 HB VAL 121 HB VAL 121 8.976 -2.574 7.897 912 HG11 VAL 121 HG11 VAL 121 7.622 -3.098 5.262 913 HG12 VAL 121 HG12 VAL 121 9.202 -3.699 5.762 914 HG13 VAL 121 HG13 VAL 121 8.948 -1.968 5.535 915 HG21 VAL 121 HG21 VAL 121 6.956 -1.444 8.582 916 HG22 VAL 121 HG22 VAL 121 6.217 -1.756 7.013 917 HG23 VAL 121 HG23 VAL 121 7.610 -0.681 7.133 918 H LEU 122 HN LEU 122 5.473 -5.115 9.007 919 HA LEU 122 HA LEU 122 3.689 -4.948 6.676 920 HB2 LEU 122 HB2 LEU 122 3.291 -6.509 9.233 921 HB3 LEU 122 HB1 LEU 122 2.333 -6.629 7.772 922 HG LEU 122 HG LEU 122 5.211 -7.504 8.076 923 HD11 LEU 122 HD11 LEU 122 3.633 -8.968 9.227 924 HD12 LEU 122 HD12 LEU 122 4.318 -9.756 7.807 925 HD13 LEU 122 HD13 LEU 122 2.678 -9.107 7.751 926 HD21 LEU 122 HD21 LEU 122 4.816 -6.709 5.830 927 HD22 LEU 122 HD22 LEU 122 3.348 -7.678 5.714 928 HD23 LEU 122 HD23 LEU 122 4.919 -8.469 5.833 929 H LEU 123 HN LEU 123 2.570 -3.093 6.705 930 HA LEU 123 HA LEU 123 2.011 -1.837 9.287 931 HB2 LEU 123 HB2 LEU 123 1.711 -0.712 6.502 932 HB3 LEU 123 HB1 LEU 123 1.519 0.181 7.999 933 HG LEU 123 HG LEU 123 4.081 -1.007 6.943 934 HD11 LEU 123 HD11 LEU 123 3.329 1.009 5.773 935 HD12 LEU 123 HD12 LEU 123 4.791 1.300 6.715 936 HD13 LEU 123 HD13 LEU 123 3.229 1.860 7.314 937 HD21 LEU 123 HD21 LEU 123 3.556 0.542 9.478 938 HD22 LEU 123 HD22 LEU 123 5.149 0.132 8.843 939 HD23 LEU 123 HD23 LEU 123 4.055 -1.146 9.363 940 H GLY 124 HN GLY 124 0.170 -2.440 10.172 941 HA2 GLY 124 HA2 GLY 124 -2.236 -2.465 8.466 942 HA3 GLY 124 HA1 GLY 124 -2.050 -3.460 9.903 943 H GLY 125 HN GLY 125 -4.263 -1.868 9.696 944 HA2 GLY 125 HA2 GLY 125 -5.427 -0.458 11.104 945 HA3 GLY 125 HA1 GLY 125 -3.936 -0.173 11.990 946 H LEU 126 HN LEU 126 -3.688 0.348 8.634 947 HA LEU 126 HA LEU 126 -3.323 3.161 9.024 948 HB2 LEU 126 HB2 LEU 126 -3.106 1.302 6.701 949 HB3 LEU 126 HB1 LEU 126 -3.263 3.021 6.385 950 HG LEU 126 HG LEU 126 -1.232 3.445 7.719 951 HD11 LEU 126 HD11 LEU 126 0.174 1.632 8.458 952 HD12 LEU 126 HD12 LEU 126 -0.988 0.445 7.863 953 HD13 LEU 126 HD13 LEU 126 -1.412 1.496 9.215 954 HD21 LEU 126 HD21 LEU 126 -1.070 3.140 5.312 955 HD22 LEU 126 HD22 LEU 126 -0.890 1.400 5.531 956 HD23 LEU 126 HD23 LEU 126 0.357 2.497 6.123 957 H ASP 127 HN ASP 127 -4.468 4.825 7.935 958 HA ASP 127 HA ASP 127 -7.264 4.148 7.299 959 HB2 ASP 127 HB2 ASP 127 -6.326 6.526 8.942 960 HB3 ASP 127 HB1 ASP 127 -7.989 6.225 8.440 961 H PHE 128 HN PHE 128 -8.331 6.057 6.141 962 HA PHE 128 HA PHE 128 -6.450 6.968 4.091 963 HB2 PHE 128 HB2 PHE 128 -9.408 6.485 4.125 964 HB3 PHE 128 HB1 PHE 128 -8.722 7.586 2.934 965 HD1 PHE 128 HD2 PHE 128 -8.720 4.091 4.133 966 HD2 PHE 128 HD1 PHE 128 -7.516 6.778 1.060 967 HE1 PHE 128 HE2 PHE 128 -8.136 2.184 2.699 968 HE2 PHE 128 HE1 PHE 128 -6.923 4.873 -0.374 969 HZ PHE 128 HZ PHE 128 -7.235 2.569 0.442 970 H GLU 129 HN GLU 129 -6.626 8.210 6.685 971 HA GLU 129 HA GLU 129 -7.995 10.711 6.390 972 HB2 GLU 129 HB2 GLU 129 -7.564 9.660 8.603 973 HB3 GLU 129 HB1 GLU 129 -5.841 9.908 8.359 974 HG2 GLU 129 HG2 GLU 129 -6.219 12.330 8.282 975 HG3 GLU 129 HG1 GLU 129 -7.933 12.057 8.585 976 H ALA 130 HN ALA 130 -7.315 12.205 5.010 977 HA ALA 130 HA ALA 130 -4.435 12.397 4.436 978 HB1 ALA 130 HB1 ALA 130 -6.755 13.297 2.732 979 HB2 ALA 130 HB2 ALA 130 -5.847 11.802 2.517 980 HB3 ALA 130 HB3 ALA 130 -5.048 13.358 2.294 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -24.106 -4.023 8.002 2 H2 GLY 1 HT2 GLY 1 -24.592 -4.807 9.418 3 H3 GLY 1 HT3 GLY 1 -25.658 -4.682 8.112 4 HA2 GLY 1 HA1 GLY 1 -24.736 -6.907 8.265 5 HA3 GLY 1 HA2 GLY 1 -24.273 -6.102 6.771 6 H ALA 2 HN ALA 2 -22.805 -8.221 7.615 7 HA ALA 2 HA ALA 2 -20.578 -7.406 9.228 8 HB1 ALA 2 HB1 ALA 2 -20.929 -9.855 7.499 9 HB2 ALA 2 HB2 ALA 2 -21.339 -9.730 9.210 10 HB3 ALA 2 HB3 ALA 2 -19.657 -9.608 8.694 11 H MET 3 HN MET 3 -20.200 -5.463 7.856 12 HA MET 3 HA MET 3 -19.064 -5.887 5.233 13 HB2 MET 3 HB2 MET 3 -19.319 -3.371 6.899 14 HB3 MET 3 HB1 MET 3 -18.762 -3.419 5.231 15 HG2 MET 3 HG2 MET 3 -21.503 -4.156 6.244 16 HG3 MET 3 HG1 MET 3 -21.064 -2.729 5.306 17 HE1 MET 3 HE1 MET 3 -23.472 -4.626 4.460 18 HE2 MET 3 HE2 MET 3 -23.185 -4.725 2.722 19 HE3 MET 3 HE3 MET 3 -22.962 -3.194 3.569 20 H GLY 4 HN GLY 4 -17.779 -6.813 7.874 21 HA2 GLY 4 HA2 GLY 4 -15.171 -5.534 7.614 22 HA3 GLY 4 HA1 GLY 4 -15.618 -6.766 8.787 23 H MET 5 HN MET 5 -16.884 -8.162 6.341 24 HA MET 5 HA MET 5 -14.458 -9.118 5.012 25 HB2 MET 5 HB2 MET 5 -15.075 -11.455 5.340 26 HB3 MET 5 HB1 MET 5 -14.880 -10.661 6.897 27 HG2 MET 5 HG2 MET 5 -17.299 -10.453 7.108 28 HG3 MET 5 HG1 MET 5 -17.508 -11.220 5.535 29 HE1 MET 5 HE1 MET 5 -19.159 -12.976 6.533 30 HE2 MET 5 HE2 MET 5 -19.008 -12.248 8.133 31 HE3 MET 5 HE3 MET 5 -18.809 -13.989 7.933 32 H SER 6 HN SER 6 -16.775 -7.441 4.319 33 HA SER 6 HA SER 6 -18.651 -8.863 2.784 34 HB2 SER 6 HB2 SER 6 -18.876 -6.461 1.715 35 HB3 SER 6 HB1 SER 6 -19.378 -6.748 3.381 36 HG SER 6 HG SER 6 -17.865 -4.890 2.804 37 HA PRO 7 HA PRO 7 -15.904 -9.922 -0.586 38 HB2 PRO 7 HB2 PRO 7 -17.878 -10.920 -2.224 39 HB3 PRO 7 HB1 PRO 7 -17.068 -11.840 -0.956 40 HG2 PRO 7 HG2 PRO 7 -19.725 -10.489 -0.913 41 HG3 PRO 7 HG1 PRO 7 -19.238 -12.040 -0.202 42 HD2 PRO 7 HD2 PRO 7 -19.530 -9.797 1.272 43 HD3 PRO 7 HD1 PRO 7 -18.318 -11.033 1.666 44 H ASP 8 HN ASP 8 -18.955 -8.185 -1.036 45 HA ASP 8 HA ASP 8 -18.425 -7.140 -3.591 46 HB2 ASP 8 HB2 ASP 8 -20.082 -5.984 -1.334 47 HB3 ASP 8 HB1 ASP 8 -20.089 -5.378 -2.985 48 H THR 9 HN THR 9 -17.964 -5.685 -0.387 49 HA THR 9 HA THR 9 -16.753 -3.310 -1.243 50 HB THR 9 HB THR 9 -16.308 -4.753 1.378 51 HG1 THR 9 HG1 THR 9 -18.092 -2.859 1.713 52 HG21 THR 9 HG21 THR 9 -14.766 -2.906 1.023 53 HG22 THR 9 HG22 THR 9 -15.946 -2.486 2.266 54 HG23 THR 9 HG23 THR 9 -16.112 -1.834 0.634 55 H ALA 10 HN ALA 10 -15.348 -6.378 -0.126 56 HA ALA 10 HA ALA 10 -12.663 -5.604 -0.260 57 HB1 ALA 10 HB1 ALA 10 -13.484 -7.590 0.938 58 HB2 ALA 10 HB2 ALA 10 -12.139 -7.956 -0.142 59 HB3 ALA 10 HB3 ALA 10 -13.785 -8.375 -0.613 60 H ARG 11 HN ARG 11 -14.783 -7.030 -2.705 61 HA ARG 11 HA ARG 11 -12.758 -7.520 -4.619 62 HB2 ARG 11 HB2 ARG 11 -14.925 -8.631 -4.772 63 HB3 ARG 11 HB1 ARG 11 -15.725 -7.085 -5.024 64 HG2 ARG 11 HG2 ARG 11 -14.484 -6.807 -7.127 65 HG3 ARG 11 HG1 ARG 11 -13.729 -8.379 -6.874 66 HD2 ARG 11 HD2 ARG 11 -15.914 -9.457 -6.970 67 HD3 ARG 11 HD1 ARG 11 -16.693 -7.887 -7.170 68 HE ARG 11 HE ARG 11 -14.723 -8.325 -9.172 69 HH11 ARG 11 HH11 ARG 11 -17.998 -9.190 -8.274 70 HH12 ARG 11 HH12 ARG 11 -18.499 -9.483 -9.907 71 HH21 ARG 11 HH21 ARG 11 -15.376 -8.716 -11.312 72 HH22 ARG 11 HH22 ARG 11 -17.003 -9.230 -11.636 73 H ARG 12 HN ARG 12 -14.949 -4.786 -4.093 74 HA ARG 12 HA ARG 12 -14.185 -3.354 -6.404 75 HB2 ARG 12 HB2 ARG 12 -15.366 -2.378 -3.800 76 HB3 ARG 12 HB1 ARG 12 -15.193 -1.383 -5.241 77 HG2 ARG 12 HG2 ARG 12 -16.632 -2.994 -6.461 78 HG3 ARG 12 HG1 ARG 12 -16.877 -3.862 -4.946 79 HD2 ARG 12 HD2 ARG 12 -17.788 -1.742 -3.976 80 HD3 ARG 12 HD1 ARG 12 -17.693 -1.030 -5.587 81 HE ARG 12 HE ARG 12 -19.141 -3.488 -5.595 82 HH11 ARG 12 HH11 ARG 12 -19.406 -0.063 -4.921 83 HH12 ARG 12 HH12 ARG 12 -21.134 -0.038 -5.092 84 HH21 ARG 12 HH21 ARG 12 -21.414 -3.456 -5.816 85 HH22 ARG 12 HH22 ARG 12 -22.276 -1.963 -5.606 86 H PHE 13 HN PHE 13 -12.906 -3.437 -3.126 87 HA PHE 13 HA PHE 13 -11.096 -1.280 -3.447 88 HB2 PHE 13 HB2 PHE 13 -11.769 -2.234 -1.234 89 HB3 PHE 13 HB1 PHE 13 -10.830 -3.668 -1.605 90 HD1 PHE 13 HD1 PHE 13 -10.553 -0.008 -1.075 91 HD2 PHE 13 HD2 PHE 13 -8.539 -3.756 -1.162 92 HE1 PHE 13 HE1 PHE 13 -8.551 1.050 -0.118 93 HE2 PHE 13 HE2 PHE 13 -6.534 -2.707 -0.207 94 HZ PHE 13 HZ PHE 13 -6.535 -0.300 0.319 95 H ASP 14 HN ASP 14 -10.754 -4.786 -3.794 96 HA ASP 14 HA ASP 14 -8.030 -4.828 -4.445 97 HB2 ASP 14 HB2 ASP 14 -9.021 -6.868 -3.779 98 HB3 ASP 14 HB1 ASP 14 -10.291 -6.737 -4.988 99 H THR 15 HN THR 15 -10.861 -4.296 -6.444 100 HA THR 15 HA THR 15 -9.352 -4.701 -8.878 101 HB THR 15 HB THR 15 -11.551 -4.067 -9.978 102 HG1 THR 15 HG1 THR 15 -12.717 -4.560 -7.454 103 HG21 THR 15 HG21 THR 15 -10.865 -6.383 -9.738 104 HG22 THR 15 HG22 THR 15 -12.595 -6.236 -9.427 105 HG23 THR 15 HG23 THR 15 -11.469 -6.413 -8.082 106 H GLU 16 HN GLU 16 -10.916 -1.929 -7.238 107 HA GLU 16 HA GLU 16 -10.036 -0.246 -9.473 108 HB2 GLU 16 HB2 GLU 16 -12.412 -0.129 -8.844 109 HB3 GLU 16 HB1 GLU 16 -11.953 0.403 -7.233 110 HG2 GLU 16 HG2 GLU 16 -12.671 2.268 -8.627 111 HG3 GLU 16 HG1 GLU 16 -10.981 2.424 -8.147 112 H PHE 17 HN PHE 17 -9.782 -0.471 -5.945 113 HA PHE 17 HA PHE 17 -8.424 2.090 -5.865 114 HB2 PHE 17 HB2 PHE 17 -9.267 0.221 -3.645 115 HB3 PHE 17 HB1 PHE 17 -8.509 1.789 -3.396 116 HD1 PHE 17 HD2 PHE 17 -11.523 0.109 -4.731 117 HD2 PHE 17 HD1 PHE 17 -9.783 3.790 -3.473 118 HE1 PHE 17 HE2 PHE 17 -13.732 1.183 -4.808 119 HE2 PHE 17 HE1 PHE 17 -11.991 4.866 -3.554 120 HZ PHE 17 HZ PHE 17 -13.965 3.571 -4.195 121 H ALA 18 HN ALA 18 -7.676 -1.258 -4.893 122 HA ALA 18 HA ALA 18 -5.158 -0.706 -3.841 123 HB1 ALA 18 HB1 ALA 18 -6.414 -2.797 -3.468 124 HB2 ALA 18 HB2 ALA 18 -4.726 -3.059 -3.904 125 HB3 ALA 18 HB3 ALA 18 -5.993 -3.307 -5.101 126 HA PRO 19 HA PRO 19 -3.172 -1.797 -8.149 127 HB2 PRO 19 HB2 PRO 19 -5.355 -1.114 -10.027 128 HB3 PRO 19 HB1 PRO 19 -4.232 -2.482 -10.059 129 HG2 PRO 19 HG2 PRO 19 -6.786 -2.842 -9.412 130 HG3 PRO 19 HG1 PRO 19 -5.500 -3.722 -8.564 131 HD2 PRO 19 HD2 PRO 19 -7.013 -1.282 -7.685 132 HD3 PRO 19 HD1 PRO 19 -6.613 -2.745 -6.763 133 H ARG 20 HN ARG 20 -5.441 0.738 -7.532 134 HA ARG 20 HA ARG 20 -4.249 2.681 -9.269 135 HB2 ARG 20 HB2 ARG 20 -6.631 2.749 -8.452 136 HB3 ARG 20 HB1 ARG 20 -6.012 3.156 -6.859 137 HG2 ARG 20 HG2 ARG 20 -6.688 5.176 -7.869 138 HG3 ARG 20 HG1 ARG 20 -4.925 5.161 -7.909 139 HD2 ARG 20 HD2 ARG 20 -5.856 5.944 -10.026 140 HD3 ARG 20 HD1 ARG 20 -4.979 4.428 -10.237 141 HE ARG 20 HE ARG 20 -7.733 3.930 -9.781 142 HH11 ARG 20 HH11 ARG 20 -5.519 5.070 -12.239 143 HH12 ARG 20 HH12 ARG 20 -6.524 4.554 -13.558 144 HH21 ARG 20 HH21 ARG 20 -9.067 3.256 -11.506 145 HH22 ARG 20 HH22 ARG 20 -8.545 3.542 -13.143 146 H ILE 21 HN ILE 21 -4.157 1.964 -5.802 147 HA ILE 21 HA ILE 21 -2.304 4.000 -5.115 148 HB ILE 21 HB ILE 21 -2.766 1.376 -3.679 149 HG12 ILE 21 HG12 ILE 21 -4.118 4.047 -3.212 150 HG13 ILE 21 HG11 ILE 21 -4.866 2.687 -4.046 151 HG21 ILE 21 HG21 ILE 21 -0.739 2.610 -3.007 152 HG22 ILE 21 HG22 ILE 21 -1.933 2.527 -1.713 153 HG23 ILE 21 HG23 ILE 21 -1.738 4.016 -2.636 154 HD11 ILE 21 HD11 ILE 21 -3.997 2.770 -1.162 155 HD12 ILE 21 HD12 ILE 21 -4.643 1.349 -1.982 156 HD13 ILE 21 HD13 ILE 21 -5.650 2.780 -1.774 157 H ALA 22 HN ALA 22 -2.006 0.593 -5.936 158 HA ALA 22 HA ALA 22 0.684 0.198 -5.389 159 HB1 ALA 22 HB1 ALA 22 -0.964 -1.081 -7.561 160 HB2 ALA 22 HB2 ALA 22 -0.899 -1.603 -5.879 161 HB3 ALA 22 HB3 ALA 22 0.539 -1.710 -6.894 162 H ARG 23 HN ARG 23 -0.827 1.171 -8.459 163 HA ARG 23 HA ARG 23 1.656 1.374 -9.824 164 HB2 ARG 23 HB2 ARG 23 -1.114 2.354 -10.485 165 HB3 ARG 23 HB1 ARG 23 0.264 2.619 -11.548 166 HG2 ARG 23 HG2 ARG 23 0.595 0.220 -11.746 167 HG3 ARG 23 HG1 ARG 23 -0.750 -0.066 -10.641 168 HD2 ARG 23 HD2 ARG 23 -0.991 1.399 -13.260 169 HD3 ARG 23 HD1 ARG 23 -1.322 -0.319 -13.056 170 HE ARG 23 HE ARG 23 -2.929 0.743 -11.210 171 HH11 ARG 23 HH11 ARG 23 -2.369 1.654 -14.536 172 HH12 ARG 23 HH12 ARG 23 -3.992 2.202 -14.801 173 HH21 ARG 23 HH21 ARG 23 -5.100 1.438 -11.565 174 HH22 ARG 23 HH22 ARG 23 -5.548 2.055 -13.123 175 H ALA 24 HN ALA 24 -0.326 3.653 -8.029 176 HA ALA 24 HA ALA 24 0.959 6.015 -8.852 177 HB1 ALA 24 HB1 ALA 24 -1.157 6.005 -7.616 178 HB2 ALA 24 HB2 ALA 24 0.051 7.018 -6.827 179 HB3 ALA 24 HB3 ALA 24 -0.313 5.417 -6.183 180 H ILE 25 HN ILE 25 1.586 3.817 -6.157 181 HA ILE 25 HA ILE 25 3.794 5.216 -5.097 182 HB ILE 25 HB ILE 25 3.080 2.282 -4.897 183 HG12 ILE 25 HG12 ILE 25 2.602 4.591 -2.991 184 HG13 ILE 25 HG11 ILE 25 1.376 3.819 -3.991 185 HG21 ILE 25 HG21 ILE 25 5.422 2.559 -4.399 186 HG22 ILE 25 HG22 ILE 25 4.540 2.286 -2.897 187 HG23 ILE 25 HG23 ILE 25 5.074 3.912 -3.323 188 HD11 ILE 25 HD11 ILE 25 2.939 2.500 -1.785 189 HD12 ILE 25 HD12 ILE 25 1.704 1.729 -2.780 190 HD13 ILE 25 HD13 ILE 25 1.266 3.047 -1.692 191 H ALA 26 HN ALA 26 3.592 2.454 -7.328 192 HA ALA 26 HA ALA 26 6.347 2.029 -7.618 193 HB1 ALA 26 HB1 ALA 26 4.664 0.403 -8.311 194 HB2 ALA 26 HB2 ALA 26 5.766 0.784 -9.634 195 HB3 ALA 26 HB3 ALA 26 4.147 1.483 -9.605 196 H ASP 27 HN ASP 27 4.111 4.101 -9.364 197 HA ASP 27 HA ASP 27 5.920 4.978 -11.358 198 HB2 ASP 27 HB2 ASP 27 3.493 5.174 -11.623 199 HB3 ASP 27 HB1 ASP 27 3.415 6.274 -10.255 200 H LEU 28 HN LEU 28 5.065 6.133 -8.156 201 HA LEU 28 HA LEU 28 6.408 8.616 -8.297 202 HB2 LEU 28 HB2 LEU 28 4.678 8.158 -6.633 203 HB3 LEU 28 HB1 LEU 28 5.670 6.901 -5.922 204 HG LEU 28 HG LEU 28 7.333 8.628 -5.266 205 HD11 LEU 28 HD11 LEU 28 5.239 10.536 -6.294 206 HD12 LEU 28 HD12 LEU 28 6.868 10.314 -6.933 207 HD13 LEU 28 HD13 LEU 28 6.638 10.990 -5.321 208 HD21 LEU 28 HD21 LEU 28 5.996 9.572 -3.443 209 HD22 LEU 28 HD22 LEU 28 5.642 7.860 -3.683 210 HD23 LEU 28 HD23 LEU 28 4.519 9.084 -4.275 211 H LEU 29 HN LEU 29 7.394 5.367 -7.421 212 HA LEU 29 HA LEU 29 9.986 6.258 -6.451 213 HB2 LEU 29 HB2 LEU 29 8.908 3.463 -6.837 214 HB3 LEU 29 HB1 LEU 29 10.374 3.892 -5.979 215 HG LEU 29 HG LEU 29 7.594 4.688 -5.132 216 HD11 LEU 29 HD11 LEU 29 7.895 3.021 -3.355 217 HD12 LEU 29 HD12 LEU 29 9.414 2.520 -4.099 218 HD13 LEU 29 HD13 LEU 29 7.892 2.289 -4.959 219 HD21 LEU 29 HD21 LEU 29 9.212 6.274 -4.342 220 HD22 LEU 29 HD22 LEU 29 10.284 4.980 -3.809 221 HD23 LEU 29 HD23 LEU 29 8.742 5.238 -2.995 222 H ASN 30 HN ASN 30 8.810 6.073 -9.412 223 HA ASN 30 HA ASN 30 9.614 5.751 -11.508 224 HB2 ASN 30 HB2 ASN 30 12.271 5.943 -10.071 225 HB3 ASN 30 HB1 ASN 30 12.100 5.924 -11.819 226 HD21 ASN 30 HD21 ASN 30 11.771 7.796 -8.936 227 HD22 ASN 30 HD22 ASN 30 11.413 9.298 -9.711 228 H HIS 31 HN HIS 31 8.974 3.454 -9.892 229 HA HIS 31 HA HIS 31 8.991 1.199 -9.993 230 HB2 HIS 31 HB2 HIS 31 10.493 1.721 -12.556 231 HB3 HIS 31 HB1 HIS 31 10.051 0.103 -12.021 232 HD1 HIS 31 HD1 HIS 31 7.575 -0.580 -12.219 233 HD2 HIS 31 HD2 HIS 31 8.359 3.310 -13.464 234 HE1 HIS 31 HE1 HIS 31 5.506 0.182 -13.427 235 HE2 HIS 31 HE2 HIS 31 5.957 2.579 -14.054 236 H ARG 32 HN ARG 32 11.273 2.686 -8.655 237 HA ARG 32 HA ARG 32 13.497 0.919 -8.708 238 HB2 ARG 32 HB2 ARG 32 12.478 2.904 -6.693 239 HB3 ARG 32 HB1 ARG 32 13.797 1.823 -6.273 240 HG2 ARG 32 HG2 ARG 32 15.074 2.699 -8.198 241 HG3 ARG 32 HG1 ARG 32 13.768 3.845 -8.503 242 HD2 ARG 32 HD2 ARG 32 14.140 4.963 -6.463 243 HD3 ARG 32 HD1 ARG 32 15.163 3.665 -5.851 244 HE ARG 32 HE ARG 32 16.308 4.729 -8.191 245 HH11 ARG 32 HH11 ARG 32 15.639 5.678 -4.900 246 HH12 ARG 32 HH12 ARG 32 17.068 6.652 -4.752 247 HH21 ARG 32 HH21 ARG 32 18.187 6.017 -8.011 248 HH22 ARG 32 HH22 ARG 32 18.521 6.843 -6.520 249 H ALA 33 HN ALA 33 10.424 0.904 -7.143 250 HA ALA 33 HA ALA 33 10.961 -1.812 -6.190 251 HB1 ALA 33 HB1 ALA 33 10.895 -0.307 -4.261 252 HB2 ALA 33 HB2 ALA 33 9.513 -1.403 -4.262 253 HB3 ALA 33 HB3 ALA 33 9.309 0.275 -4.767 254 H HIS 34 HN HIS 34 9.221 -3.243 -6.377 255 HA HIS 34 HA HIS 34 7.139 -2.319 -8.243 256 HB2 HIS 34 HB2 HIS 34 8.611 -4.103 -9.139 257 HB3 HIS 34 HB1 HIS 34 8.183 -5.133 -7.773 258 HD1 HIS 34 HD1 HIS 34 6.677 -3.617 -10.891 259 HD2 HIS 34 HD2 HIS 34 5.810 -6.521 -8.040 260 HE1 HIS 34 HE1 HIS 34 4.651 -4.831 -11.753 261 HE2 HIS 34 HE2 HIS 34 4.032 -6.440 -9.917 262 H THR 35 HN THR 35 5.000 -2.782 -7.816 263 HA THR 35 HA THR 35 4.485 -3.629 -5.051 264 HB THR 35 HB THR 35 2.385 -2.304 -5.244 265 HG1 THR 35 HG1 THR 35 2.763 -0.655 -7.137 266 HG21 THR 35 HG21 THR 35 4.523 -1.405 -4.289 267 HG22 THR 35 HG22 THR 35 3.429 -0.173 -4.915 268 HG23 THR 35 HG23 THR 35 4.841 -0.661 -5.854 269 H ASP 36 HN ASP 36 2.918 -5.122 -4.638 270 HA ASP 36 HA ASP 36 1.647 -6.404 -6.960 271 HB2 ASP 36 HB2 ASP 36 3.572 -7.771 -6.309 272 HB3 ASP 36 HB1 ASP 36 3.021 -7.792 -4.638 273 H VAL 37 HN VAL 37 -0.480 -6.384 -6.742 274 HA VAL 37 HA VAL 37 -1.664 -5.704 -4.205 275 HB VAL 37 HB VAL 37 -2.990 -6.324 -6.849 276 HG11 VAL 37 HG11 VAL 37 -4.519 -6.692 -5.007 277 HG12 VAL 37 HG12 VAL 37 -4.958 -5.214 -5.864 278 HG13 VAL 37 HG13 VAL 37 -4.110 -5.119 -4.321 279 HG21 VAL 37 HG21 VAL 37 -3.258 -3.903 -7.045 280 HG22 VAL 37 HG22 VAL 37 -1.556 -4.352 -6.958 281 HG23 VAL 37 HG23 VAL 37 -2.363 -3.678 -5.542 282 H VAL 38 HN VAL 38 -1.753 -7.262 -2.747 283 HA VAL 38 HA VAL 38 -2.449 -9.989 -3.412 284 HB VAL 38 HB VAL 38 -2.163 -8.668 -0.704 285 HG11 VAL 38 HG11 VAL 38 -1.901 -10.946 0.150 286 HG12 VAL 38 HG12 VAL 38 -2.236 -11.580 -1.462 287 HG13 VAL 38 HG13 VAL 38 -3.484 -10.695 -0.586 288 HG21 VAL 38 HG21 VAL 38 -0.170 -10.287 -2.278 289 HG22 VAL 38 HG22 VAL 38 0.051 -9.701 -0.630 290 HG23 VAL 38 HG23 VAL 38 -0.086 -8.554 -1.962 291 H GLY 39 HN GLY 39 -4.507 -10.422 -3.905 292 HA2 GLY 39 HA2 GLY 39 -6.671 -8.748 -3.038 293 HA3 GLY 39 HA1 GLY 39 -6.808 -10.219 -3.992 294 H TYR 40 HN TYR 40 -8.664 -9.736 -2.080 295 HA TYR 40 HA TYR 40 -8.060 -10.810 0.468 296 HB2 TYR 40 HB2 TYR 40 -10.082 -9.382 -0.155 297 HB3 TYR 40 HB1 TYR 40 -10.777 -10.840 -0.866 298 HD1 TYR 40 HD2 TYR 40 -11.497 -12.702 0.573 299 HD2 TYR 40 HD1 TYR 40 -9.937 -9.109 2.240 300 HE1 TYR 40 HE2 TYR 40 -12.365 -13.352 2.779 301 HE2 TYR 40 HE1 TYR 40 -10.803 -9.756 4.450 302 HH TYR 40 HH TYR 40 -12.453 -11.188 5.439 303 H GLY 41 HN GLY 41 -7.676 -12.860 1.019 304 HA2 GLY 41 HA2 GLY 41 -8.354 -14.939 -0.964 305 HA3 GLY 41 HA1 GLY 41 -6.967 -15.001 0.118 306 H GLY 42 HN GLY 42 -10.337 -15.625 -0.269 307 HA2 GLY 42 HA2 GLY 42 -11.711 -17.069 0.869 308 HA3 GLY 42 HA1 GLY 42 -10.302 -17.593 1.779 309 H HIS 43 HN HIS 43 -9.817 -16.615 3.740 310 HA HIS 43 HA HIS 43 -11.337 -14.409 4.756 311 HB2 HIS 43 HB2 HIS 43 -12.925 -16.348 5.050 312 HB3 HIS 43 HB1 HIS 43 -11.729 -17.098 6.105 313 HD1 HIS 43 HD1 HIS 43 -11.965 -16.573 8.515 314 HD2 HIS 43 HD2 HIS 43 -13.786 -13.708 6.112 315 HE1 HIS 43 HE1 HIS 43 -13.092 -14.982 10.097 316 HE2 HIS 43 HE2 HIS 43 -14.025 -13.162 8.627 317 H GLY 44 HN GLY 44 -10.282 -13.468 6.497 318 HA2 GLY 44 HA2 GLY 44 -8.678 -13.341 8.212 319 HA3 GLY 44 HA1 GLY 44 -8.085 -14.926 7.746 320 H HIS 45 HN HIS 45 -8.331 -13.514 4.906 321 HA HIS 45 HA HIS 45 -5.650 -12.293 5.027 322 HB2 HIS 45 HB2 HIS 45 -6.926 -13.870 2.778 323 HB3 HIS 45 HB1 HIS 45 -5.415 -12.983 2.627 324 HD1 HIS 45 HD1 HIS 45 -3.338 -13.954 3.841 325 HD2 HIS 45 HD2 HIS 45 -6.752 -16.313 4.117 326 HE1 HIS 45 HE1 HIS 45 -2.550 -16.198 4.651 327 HE2 HIS 45 HE2 HIS 45 -4.649 -17.542 4.977 328 HA PRO 46 HA PRO 46 -8.427 -8.911 3.679 329 HB2 PRO 46 HB2 PRO 46 -6.415 -7.212 4.955 330 HB3 PRO 46 HB1 PRO 46 -8.138 -7.370 5.326 331 HG2 PRO 46 HG2 PRO 46 -6.197 -8.267 6.992 332 HG3 PRO 46 HG1 PRO 46 -7.784 -9.050 6.862 333 HD2 PRO 46 HD2 PRO 46 -5.171 -9.845 5.630 334 HD3 PRO 46 HD1 PRO 46 -6.414 -10.861 6.391 335 H THR 47 HN THR 47 -8.144 -7.457 2.003 336 HA THR 47 HA THR 47 -6.097 -7.890 0.157 337 HB THR 47 HB THR 47 -7.770 -5.377 0.362 338 HG1 THR 47 HG1 THR 47 -9.060 -6.834 -1.225 339 HG21 THR 47 HG21 THR 47 -7.578 -5.375 -2.092 340 HG22 THR 47 HG22 THR 47 -6.577 -6.823 -2.017 341 HG23 THR 47 HG23 THR 47 -5.989 -5.309 -1.329 342 H GLN 48 HN GLN 48 -4.150 -6.949 -0.181 343 HA GLN 48 HA GLN 48 -3.352 -4.577 1.273 344 HB2 GLN 48 HB2 GLN 48 -1.469 -5.662 2.418 345 HB3 GLN 48 HB1 GLN 48 -3.004 -6.317 2.964 346 HG2 GLN 48 HG2 GLN 48 -2.655 -8.225 1.385 347 HG3 GLN 48 HG1 GLN 48 -1.035 -7.598 1.086 348 HE21 GLN 48 HE21 GLN 48 -0.784 -6.714 3.906 349 HE22 GLN 48 HE22 GLN 48 -0.491 -8.154 4.814 350 H VAL 49 HN VAL 49 -1.541 -3.586 0.348 351 HA VAL 49 HA VAL 49 -0.582 -4.913 -2.094 352 HB VAL 49 HB VAL 49 -1.697 -2.786 -2.543 353 HG11 VAL 49 HG11 VAL 49 -0.707 -0.658 -1.811 354 HG12 VAL 49 HG12 VAL 49 0.427 -1.550 -0.796 355 HG13 VAL 49 HG13 VAL 49 -1.302 -1.618 -0.456 356 HG21 VAL 49 HG21 VAL 49 0.122 -3.497 -3.997 357 HG22 VAL 49 HG22 VAL 49 1.285 -2.654 -2.974 358 HG23 VAL 49 HG23 VAL 49 0.070 -1.739 -3.868 359 H ARG 50 HN ARG 50 1.385 -5.675 -2.075 360 HA ARG 50 HA ARG 50 3.197 -4.793 0.042 361 HB2 ARG 50 HB2 ARG 50 4.500 -6.855 -0.523 362 HB3 ARG 50 HB1 ARG 50 2.876 -7.158 0.069 363 HG2 ARG 50 HG2 ARG 50 2.123 -7.499 -2.252 364 HG3 ARG 50 HG1 ARG 50 3.787 -7.272 -2.795 365 HD2 ARG 50 HD2 ARG 50 4.511 -9.210 -1.583 366 HD3 ARG 50 HD1 ARG 50 2.931 -9.383 -0.821 367 HE ARG 50 HE ARG 50 2.385 -9.525 -3.488 368 HH11 ARG 50 HH11 ARG 50 4.560 -11.265 -1.357 369 HH12 ARG 50 HH12 ARG 50 4.479 -12.734 -2.274 370 HH21 ARG 50 HH21 ARG 50 2.271 -11.435 -4.678 371 HH22 ARG 50 HH22 ARG 50 3.178 -12.831 -4.177 372 H ILE 51 HN ILE 51 5.050 -3.803 -0.320 373 HA ILE 51 HA ILE 51 5.758 -3.200 -3.110 374 HB ILE 51 HB ILE 51 6.664 -1.674 -0.662 375 HG12 ILE 51 HG12 ILE 51 4.304 -1.050 -2.455 376 HG13 ILE 51 HG11 ILE 51 4.195 -1.624 -0.795 377 HG21 ILE 51 HG21 ILE 51 7.140 0.097 -2.278 378 HG22 ILE 51 HG22 ILE 51 6.549 -0.927 -3.585 379 HG23 ILE 51 HG23 ILE 51 8.000 -1.387 -2.693 380 HD11 ILE 51 HD11 ILE 51 5.273 0.406 -0.014 381 HD12 ILE 51 HD12 ILE 51 3.830 0.777 -0.955 382 HD13 ILE 51 HD13 ILE 51 5.429 0.974 -1.673 383 H VAL 52 HN VAL 52 7.392 -4.399 -3.797 384 HA VAL 52 HA VAL 52 9.481 -5.181 -1.871 385 HB VAL 52 HB VAL 52 8.727 -6.694 -4.381 386 HG11 VAL 52 HG11 VAL 52 10.038 -8.505 -3.405 387 HG12 VAL 52 HG12 VAL 52 10.414 -7.497 -2.011 388 HG13 VAL 52 HG13 VAL 52 11.016 -7.053 -3.608 389 HG21 VAL 52 HG21 VAL 52 7.616 -8.324 -2.926 390 HG22 VAL 52 HG22 VAL 52 6.841 -6.742 -2.845 391 HG23 VAL 52 HG23 VAL 52 7.899 -7.273 -1.538 392 H ALA 53 HN ALA 53 11.566 -4.765 -2.414 393 HA ALA 53 HA ALA 53 11.991 -3.338 -4.952 394 HB1 ALA 53 HB1 ALA 53 13.906 -2.285 -3.904 395 HB2 ALA 53 HB2 ALA 53 13.671 -3.252 -2.451 396 HB3 ALA 53 HB3 ALA 53 12.468 -2.048 -2.913 397 HA PRO 54 HA PRO 54 14.389 -7.102 -5.748 398 HB2 PRO 54 HB2 PRO 54 13.952 -7.213 -8.396 399 HB3 PRO 54 HB1 PRO 54 12.707 -7.701 -7.234 400 HG2 PRO 54 HG2 PRO 54 12.949 -5.182 -8.812 401 HG3 PRO 54 HG1 PRO 54 11.498 -6.102 -8.383 402 HD2 PRO 54 HD2 PRO 54 12.409 -3.816 -7.077 403 HD3 PRO 54 HD1 PRO 54 11.255 -4.988 -6.414 404 H HIS 55 HN HIS 55 15.939 -7.434 -7.827 405 HA HIS 55 HA HIS 55 17.973 -6.926 -8.685 406 HB2 HIS 55 HB2 HIS 55 16.445 -5.351 -9.995 407 HB3 HIS 55 HB1 HIS 55 16.987 -4.076 -8.908 408 HD1 HIS 55 HD1 HIS 55 19.473 -3.298 -9.142 409 HD2 HIS 55 HD2 HIS 55 18.274 -6.118 -11.950 410 HE1 HIS 55 HE1 HIS 55 21.247 -3.284 -10.917 411 HE2 HIS 55 HE2 HIS 55 20.602 -5.134 -12.491 412 H ALA 56 HN ALA 56 17.999 -7.087 -6.012 413 HA ALA 56 HA ALA 56 19.271 -4.792 -4.826 414 HB1 ALA 56 HB1 ALA 56 19.049 -7.616 -3.789 415 HB2 ALA 56 HB2 ALA 56 17.887 -6.325 -3.492 416 HB3 ALA 56 HB3 ALA 56 19.527 -6.197 -2.862 417 H GLU 57 HN GLU 57 20.972 -4.505 -6.342 418 HA GLU 57 HA GLU 57 22.996 -6.627 -6.480 419 HB2 GLU 57 HB2 GLU 57 21.950 -5.369 -8.527 420 HB3 GLU 57 HB1 GLU 57 23.058 -4.083 -8.077 421 HG2 GLU 57 HG2 GLU 57 24.123 -5.344 -9.757 422 HG3 GLU 57 HG1 GLU 57 24.915 -5.763 -8.238 423 H HIS 58 HN HIS 58 22.519 -3.251 -5.630 424 HA HIS 58 HA HIS 58 25.291 -3.077 -4.672 425 HB2 HIS 58 HB2 HIS 58 24.572 -1.342 -6.280 426 HB3 HIS 58 HB1 HIS 58 23.280 -0.865 -5.184 427 HD1 HIS 58 HD1 HIS 58 23.826 0.967 -3.610 428 HD2 HIS 58 HD2 HIS 58 27.244 -0.897 -5.068 429 HE1 HIS 58 HE1 HIS 58 25.755 2.313 -2.730 430 HE2 HIS 58 HE2 HIS 58 27.813 1.074 -3.494 431 H VAL 59 HN VAL 59 24.658 -4.422 -2.821 432 HA VAL 59 HA VAL 59 23.235 -2.848 -0.778 433 HB VAL 59 HB VAL 59 23.288 -5.862 -0.954 434 HG11 VAL 59 HG11 VAL 59 23.084 -5.039 1.318 435 HG12 VAL 59 HG12 VAL 59 21.552 -5.731 0.786 436 HG13 VAL 59 HG13 VAL 59 21.760 -3.981 0.839 437 HG21 VAL 59 HG21 VAL 59 20.901 -5.669 -1.549 438 HG22 VAL 59 HG22 VAL 59 21.964 -4.982 -2.777 439 HG23 VAL 59 HG23 VAL 59 21.093 -3.920 -1.669 440 H ARG 60 HN ARG 60 24.958 -1.985 0.269 441 HA ARG 60 HA ARG 60 26.565 -3.919 1.783 442 HB2 ARG 60 HB2 ARG 60 28.011 -2.821 0.084 443 HB3 ARG 60 HB1 ARG 60 27.570 -1.252 0.744 444 HG2 ARG 60 HG2 ARG 60 28.559 -1.932 2.910 445 HG3 ARG 60 HG1 ARG 60 29.088 -3.434 2.153 446 HD2 ARG 60 HD2 ARG 60 29.879 -0.682 1.218 447 HD3 ARG 60 HD1 ARG 60 30.854 -1.691 2.284 448 HE ARG 60 HE ARG 60 30.300 -3.212 0.041 449 HH11 ARG 60 HH11 ARG 60 31.969 -0.232 0.790 450 HH12 ARG 60 HH12 ARG 60 33.100 -0.389 -0.516 451 HH21 ARG 60 HH21 ARG 60 31.794 -3.434 -1.664 452 HH22 ARG 60 HH22 ARG 60 32.999 -2.210 -1.915 453 H GLY 61 HN GLY 61 24.753 -3.645 3.246 454 HA2 GLY 61 HA2 GLY 61 25.343 -1.831 5.332 455 HA3 GLY 61 HA1 GLY 61 23.962 -1.241 4.414 456 H TYR 62 HN TYR 62 21.991 -2.283 4.583 457 HA TYR 62 HA TYR 62 21.832 -4.309 6.701 458 HB2 TYR 62 HB2 TYR 62 19.559 -2.837 5.329 459 HB3 TYR 62 HB1 TYR 62 19.440 -3.851 6.763 460 HD1 TYR 62 HD2 TYR 62 20.840 -3.063 8.824 461 HD2 TYR 62 HD1 TYR 62 19.765 -0.523 5.579 462 HE1 TYR 62 HE2 TYR 62 21.195 -1.094 10.253 463 HE2 TYR 62 HE1 TYR 62 20.125 1.452 7.000 464 HH TYR 62 HH TYR 62 20.246 2.082 9.285 465 H ALA 63 HN ALA 63 21.577 -6.393 6.163 466 HA ALA 63 HA ALA 63 21.311 -7.092 3.373 467 HB1 ALA 63 HB1 ALA 63 21.643 -8.886 5.772 468 HB2 ALA 63 HB2 ALA 63 22.956 -8.218 4.803 469 HB3 ALA 63 HB3 ALA 63 21.816 -9.354 4.081 470 H HIS 64 HN HIS 64 18.992 -5.912 4.196 471 HA HIS 64 HA HIS 64 17.115 -8.144 3.945 472 HB2 HIS 64 HB2 HIS 64 16.936 -5.908 5.962 473 HB3 HIS 64 HB1 HIS 64 15.506 -6.781 5.420 474 HD1 HIS 64 HD1 HIS 64 15.074 -9.058 6.424 475 HD2 HIS 64 HD2 HIS 64 18.796 -7.520 7.454 476 HE1 HIS 64 HE1 HIS 64 15.968 -10.584 8.207 477 HE2 HIS 64 HE2 HIS 64 18.270 -9.709 8.723 478 HA PRO 65 HA PRO 65 16.048 -5.394 0.558 479 HB2 PRO 65 HB2 PRO 65 14.285 -7.119 -0.593 480 HB3 PRO 65 HB1 PRO 65 16.034 -7.239 -0.809 481 HG2 PRO 65 HG2 PRO 65 14.242 -8.764 1.037 482 HG3 PRO 65 HG1 PRO 65 15.588 -9.352 0.042 483 HD2 PRO 65 HD2 PRO 65 15.841 -8.885 2.687 484 HD3 PRO 65 HD1 PRO 65 17.180 -8.636 1.549 485 H LEU 66 HN LEU 66 14.276 -4.123 0.082 486 HA LEU 66 HA LEU 66 12.439 -3.609 2.136 487 HB2 LEU 66 HB2 LEU 66 12.969 -1.829 0.693 488 HB3 LEU 66 HB1 LEU 66 12.596 -2.767 -0.740 489 HG LEU 66 HG LEU 66 10.183 -2.713 -0.067 490 HD11 LEU 66 HD11 LEU 66 11.173 -0.719 1.963 491 HD12 LEU 66 HD12 LEU 66 10.437 -2.285 2.305 492 HD13 LEU 66 HD13 LEU 66 9.483 -1.011 1.548 493 HD21 LEU 66 HD21 LEU 66 11.068 -1.210 -1.755 494 HD22 LEU 66 HD22 LEU 66 11.537 -0.058 -0.505 495 HD23 LEU 66 HD23 LEU 66 9.831 -0.406 -0.791 496 H ASN 67 HN ASN 67 10.727 -4.709 2.727 497 HA ASN 67 HA ASN 67 8.888 -5.689 0.684 498 HB2 ASN 67 HB2 ASN 67 10.343 -7.630 1.450 499 HB3 ASN 67 HB1 ASN 67 9.626 -7.429 3.049 500 HD21 ASN 67 HD21 ASN 67 7.380 -7.836 3.303 501 HD22 ASN 67 HD22 ASN 67 6.522 -8.839 2.183 502 H LEU 68 HN LEU 68 7.435 -4.149 1.168 503 HA LEU 68 HA LEU 68 6.563 -3.890 3.970 504 HB2 LEU 68 HB2 LEU 68 7.455 -1.822 3.159 505 HB3 LEU 68 HB1 LEU 68 6.552 -1.946 1.663 506 HG LEU 68 HG LEU 68 4.452 -1.600 2.937 507 HD11 LEU 68 HD11 LEU 68 5.146 -2.422 5.103 508 HD12 LEU 68 HD12 LEU 68 4.602 -0.750 5.231 509 HD13 LEU 68 HD13 LEU 68 6.327 -1.120 5.242 510 HD21 LEU 68 HD21 LEU 68 4.786 0.773 3.327 511 HD22 LEU 68 HD22 LEU 68 5.606 0.263 1.854 512 HD23 LEU 68 HD23 LEU 68 6.532 0.543 3.327 513 H ALA 69 HN ALA 69 4.524 -4.375 4.482 514 HA ALA 69 HA ALA 69 2.630 -4.857 2.271 515 HB1 ALA 69 HB1 ALA 69 2.589 -6.032 5.048 516 HB2 ALA 69 HB2 ALA 69 3.162 -6.853 3.597 517 HB3 ALA 69 HB3 ALA 69 1.463 -6.401 3.743 518 H LEU 70 HN LEU 70 1.254 -3.260 2.024 519 HA LEU 70 HA LEU 70 0.432 -1.668 4.345 520 HB2 LEU 70 HB2 LEU 70 0.242 -1.134 1.378 521 HB3 LEU 70 HB1 LEU 70 -0.405 -0.068 2.610 522 HG LEU 70 HG LEU 70 2.523 -0.774 2.395 523 HD11 LEU 70 HD11 LEU 70 1.798 0.367 0.376 524 HD12 LEU 70 HD12 LEU 70 2.807 1.417 1.371 525 HD13 LEU 70 HD13 LEU 70 1.057 1.637 1.349 526 HD21 LEU 70 HD21 LEU 70 2.789 1.234 3.794 527 HD22 LEU 70 HD22 LEU 70 1.845 -0.016 4.601 528 HD23 LEU 70 HD23 LEU 70 1.036 1.382 3.891 529 H THR 71 HN THR 71 -1.398 -2.308 5.256 530 HA THR 71 HA THR 71 -3.668 -2.765 3.436 531 HB THR 71 HB THR 71 -2.965 -4.916 4.493 532 HG1 THR 71 HG1 THR 71 -5.075 -4.903 3.920 533 HG21 THR 71 HG21 THR 71 -3.820 -3.553 7.049 534 HG22 THR 71 HG22 THR 71 -2.195 -4.108 6.650 535 HG23 THR 71 HG23 THR 71 -3.495 -5.278 6.876 536 H TRP 72 HN TRP 72 -5.725 -2.090 4.228 537 HA TRP 72 HA TRP 72 -5.507 0.029 6.260 538 HB2 TRP 72 HB2 TRP 72 -6.931 0.105 3.591 539 HB3 TRP 72 HB1 TRP 72 -7.197 1.296 4.866 540 HD1 TRP 72 HD1 TRP 72 -5.277 3.084 5.300 541 HE1 TRP 72 HE1 TRP 72 -3.240 3.819 3.914 542 HE3 TRP 72 HE3 TRP 72 -5.132 -0.769 1.940 543 HZ2 TRP 72 HZ2 TRP 72 -1.772 2.903 1.690 544 HZ3 TRP 72 HZ3 TRP 72 -3.378 -0.761 0.213 545 HH2 TRP 72 HH2 TRP 72 -1.734 1.041 0.095 546 H ASN 73 HN ASN 73 -7.346 0.502 7.451 547 HA ASN 73 HA ASN 73 -8.812 -1.671 8.377 548 HB2 ASN 73 HB2 ASN 73 -9.292 1.302 8.611 549 HB3 ASN 73 HB1 ASN 73 -10.255 0.104 9.472 550 HD21 ASN 73 HD21 ASN 73 -8.410 2.233 10.427 551 HD22 ASN 73 HD22 ASN 73 -7.268 1.414 11.439 552 H THR 74 HN THR 74 -10.652 -2.606 7.812 553 HA THR 74 HA THR 74 -11.691 -2.257 5.240 554 HB THR 74 HB THR 74 -13.111 -3.639 7.517 555 HG1 THR 74 HG1 THR 74 -10.725 -4.225 6.221 556 HG21 THR 74 HG21 THR 74 -14.369 -3.443 5.404 557 HG22 THR 74 HG22 THR 74 -13.941 -5.116 5.760 558 HG23 THR 74 HG23 THR 74 -13.033 -4.215 4.549 559 H ASP 75 HN ASP 75 -12.679 -0.889 8.316 560 HA ASP 75 HA ASP 75 -15.203 0.087 7.671 561 HB2 ASP 75 HB2 ASP 75 -13.058 1.408 9.357 562 HB3 ASP 75 HB1 ASP 75 -14.764 1.837 9.366 563 H GLU 76 HN GLU 76 -12.065 1.675 7.329 564 HA GLU 76 HA GLU 76 -12.813 3.953 5.956 565 HB2 GLU 76 HB2 GLU 76 -10.311 2.316 5.499 566 HB3 GLU 76 HB1 GLU 76 -10.532 4.004 5.067 567 HG2 GLU 76 HG2 GLU 76 -10.665 2.961 7.881 568 HG3 GLU 76 HG1 GLU 76 -9.213 3.621 7.133 569 H ILE 77 HN ILE 77 -11.993 0.767 4.657 570 HA ILE 77 HA ILE 77 -12.160 1.371 1.934 571 HB ILE 77 HB ILE 77 -12.813 -1.256 3.282 572 HG12 ILE 77 HG12 ILE 77 -10.187 -0.185 2.206 573 HG13 ILE 77 HG11 ILE 77 -10.583 -0.461 3.900 574 HG21 ILE 77 HG21 ILE 77 -12.241 -2.275 1.134 575 HG22 ILE 77 HG22 ILE 77 -11.989 -0.675 0.439 576 HG23 ILE 77 HG23 ILE 77 -13.597 -1.160 0.969 577 HD11 ILE 77 HD11 ILE 77 -10.738 -2.859 3.476 578 HD12 ILE 77 HD12 ILE 77 -9.159 -2.223 3.015 579 HD13 ILE 77 HD13 ILE 77 -10.361 -2.584 1.775 580 H GLU 78 HN GLU 78 -14.664 0.265 4.174 581 HA GLU 78 HA GLU 78 -16.758 -0.041 2.337 582 HB2 GLU 78 HB2 GLU 78 -16.839 -0.915 4.618 583 HB3 GLU 78 HB1 GLU 78 -16.822 0.716 5.265 584 HG2 GLU 78 HG2 GLU 78 -19.038 -0.188 5.389 585 HG3 GLU 78 HG1 GLU 78 -19.000 1.138 4.233 586 H ARG 79 HN ARG 79 -15.638 2.793 4.131 587 HA ARG 79 HA ARG 79 -17.769 4.491 3.345 588 HB2 ARG 79 HB2 ARG 79 -16.310 4.936 5.305 589 HB3 ARG 79 HB1 ARG 79 -14.978 5.277 4.209 590 HG2 ARG 79 HG2 ARG 79 -15.943 7.344 4.978 591 HG3 ARG 79 HG1 ARG 79 -16.272 7.148 3.256 592 HD2 ARG 79 HD2 ARG 79 -18.524 6.268 3.853 593 HD3 ARG 79 HD1 ARG 79 -18.180 6.647 5.539 594 HE ARG 79 HE ARG 79 -17.930 8.862 3.671 595 HH11 ARG 79 HH11 ARG 79 -19.975 7.171 5.964 596 HH12 ARG 79 HH12 ARG 79 -21.071 8.499 6.155 597 HH21 ARG 79 HH21 ARG 79 -19.382 10.591 3.896 598 HH22 ARG 79 HH22 ARG 79 -20.738 10.450 4.978 599 H LEU 80 HN LEU 80 -14.813 3.517 1.803 600 HA LEU 80 HA LEU 80 -14.479 5.676 0.019 601 HB2 LEU 80 HB2 LEU 80 -13.731 2.781 -0.399 602 HB3 LEU 80 HB1 LEU 80 -13.121 4.140 -1.322 603 HG LEU 80 HG LEU 80 -12.581 3.535 1.588 604 HD11 LEU 80 HD11 LEU 80 -11.340 2.167 -0.021 605 HD12 LEU 80 HD12 LEU 80 -10.281 3.278 0.846 606 HD13 LEU 80 HD13 LEU 80 -10.759 3.631 -0.814 607 HD21 LEU 80 HD21 LEU 80 -11.066 5.493 1.502 608 HD22 LEU 80 HD22 LEU 80 -12.767 5.932 1.350 609 HD23 LEU 80 HD23 LEU 80 -11.733 5.904 -0.078 610 H MET 81 HN MET 81 -16.865 3.261 0.130 611 HA MET 81 HA MET 81 -17.372 3.134 -2.694 612 HB2 MET 81 HB2 MET 81 -18.991 2.174 -0.335 613 HB3 MET 81 HB1 MET 81 -19.367 1.822 -2.014 614 HG2 MET 81 HG2 MET 81 -17.316 0.580 -2.260 615 HG3 MET 81 HG1 MET 81 -16.815 1.031 -0.627 616 HE1 MET 81 HE1 MET 81 -20.459 -1.683 -1.470 617 HE2 MET 81 HE2 MET 81 -19.522 -0.892 -2.738 618 HE3 MET 81 HE3 MET 81 -20.511 0.071 -1.638 619 H GLU 82 HN GLU 82 -17.835 5.621 -0.653 620 HA GLU 82 HA GLU 82 -20.308 6.438 -2.030 621 HB2 GLU 82 HB2 GLU 82 -19.357 7.169 0.749 622 HB3 GLU 82 HB1 GLU 82 -20.740 7.911 -0.043 623 HG2 GLU 82 HG2 GLU 82 -21.804 5.690 -0.178 624 HG3 GLU 82 HG1 GLU 82 -20.440 5.014 0.705 625 H ALA 83 HN ALA 83 -20.499 8.958 -2.003 626 HA ALA 83 HA ALA 83 -18.639 9.907 -3.810 627 HB1 ALA 83 HB1 ALA 83 -20.875 10.839 -3.571 628 HB2 ALA 83 HB2 ALA 83 -19.649 12.105 -3.498 629 HB3 ALA 83 HB3 ALA 83 -20.426 11.544 -2.019 630 H ASP 84 HN ASP 84 -18.915 11.112 -0.428 631 HA ASP 84 HA ASP 84 -16.437 12.491 -0.594 632 HB2 ASP 84 HB2 ASP 84 -16.617 12.780 1.864 633 HB3 ASP 84 HB1 ASP 84 -18.089 13.249 1.026 634 H GLY 85 HN GLY 85 -17.163 9.240 -0.243 635 HA2 GLY 85 HA2 GLY 85 -14.925 8.466 1.376 636 HA3 GLY 85 HA1 GLY 85 -15.923 7.402 0.382 637 H ALA 86 HN ALA 86 -15.640 8.221 -2.122 638 HA ALA 86 HA ALA 86 -13.059 7.554 -2.929 639 HB1 ALA 86 HB1 ALA 86 -13.754 8.297 -5.149 640 HB2 ALA 86 HB2 ALA 86 -15.158 9.099 -4.443 641 HB3 ALA 86 HB3 ALA 86 -15.017 7.342 -4.372 642 H ALA 87 HN ALA 87 -14.511 10.621 -2.129 643 HA ALA 87 HA ALA 87 -12.494 12.314 -3.142 644 HB1 ALA 87 HB1 ALA 87 -14.743 13.082 -2.450 645 HB2 ALA 87 HB2 ALA 87 -13.438 14.024 -1.732 646 HB3 ALA 87 HB3 ALA 87 -14.284 12.814 -0.768 647 H ARG 88 HN ARG 88 -12.806 10.477 -0.176 648 HA ARG 88 HA ARG 88 -10.596 11.659 1.191 649 HB2 ARG 88 HB2 ARG 88 -11.902 8.945 1.488 650 HB3 ARG 88 HB1 ARG 88 -10.664 9.565 2.569 651 HG2 ARG 88 HG2 ARG 88 -13.331 10.886 2.113 652 HG3 ARG 88 HG1 ARG 88 -12.974 9.779 3.440 653 HD2 ARG 88 HD2 ARG 88 -11.657 12.438 2.900 654 HD3 ARG 88 HD1 ARG 88 -12.783 12.064 4.203 655 HE ARG 88 HE ARG 88 -10.046 11.005 3.966 656 HH11 ARG 88 HH11 ARG 88 -12.861 11.766 5.901 657 HH12 ARG 88 HH12 ARG 88 -12.067 11.441 7.405 658 HH21 ARG 88 HH21 ARG 88 -9.002 10.583 5.921 659 HH22 ARG 88 HH22 ARG 88 -9.862 10.756 7.426 660 H PHE 89 HN PHE 89 -11.039 8.999 -1.025 661 HA PHE 89 HA PHE 89 -8.485 7.847 -0.856 662 HB2 PHE 89 HB2 PHE 89 -10.390 6.715 -1.901 663 HB3 PHE 89 HB1 PHE 89 -10.427 7.928 -3.178 664 HD1 PHE 89 HD2 PHE 89 -8.174 5.375 -1.664 665 HD2 PHE 89 HD1 PHE 89 -9.308 7.524 -5.157 666 HE1 PHE 89 HE2 PHE 89 -6.630 4.017 -2.996 667 HE2 PHE 89 HE1 PHE 89 -7.765 6.162 -6.494 668 HZ PHE 89 HZ PHE 89 -6.473 4.372 -5.434 669 H GLU 90 HN GLU 90 -9.765 10.393 -2.979 670 HA GLU 90 HA GLU 90 -7.415 10.708 -4.529 671 HB2 GLU 90 HB2 GLU 90 -9.619 12.692 -3.912 672 HB3 GLU 90 HB1 GLU 90 -8.378 12.930 -5.132 673 HG2 GLU 90 HG2 GLU 90 -10.439 10.736 -5.136 674 HG3 GLU 90 HG1 GLU 90 -10.500 12.209 -6.098 675 H ARG 91 HN ARG 91 -8.603 12.223 -1.595 676 HA ARG 91 HA ARG 91 -6.636 14.216 -1.330 677 HB2 ARG 91 HB2 ARG 91 -8.805 14.162 -0.119 678 HB3 ARG 91 HB1 ARG 91 -8.218 12.808 0.830 679 HG2 ARG 91 HG2 ARG 91 -8.070 14.819 2.125 680 HG3 ARG 91 HG1 ARG 91 -6.444 14.257 1.744 681 HD2 ARG 91 HD2 ARG 91 -7.773 16.256 -0.031 682 HD3 ARG 91 HD1 ARG 91 -7.069 16.783 1.494 683 HE ARG 91 HE ARG 91 -4.995 15.540 0.529 684 HH11 ARG 91 HH11 ARG 91 -7.305 17.416 -1.317 685 HH12 ARG 91 HH12 ARG 91 -6.122 17.991 -2.446 686 HH21 ARG 91 HH21 ARG 91 -3.435 16.323 -0.943 687 HH22 ARG 91 HH22 ARG 91 -3.925 17.376 -2.232 688 H TYR 92 HN TYR 92 -6.745 10.843 -0.431 689 HA TYR 92 HA TYR 92 -4.401 10.948 1.219 690 HB2 TYR 92 HB2 TYR 92 -6.243 9.272 1.524 691 HB3 TYR 92 HB1 TYR 92 -5.745 8.519 0.013 692 HD1 TYR 92 HD1 TYR 92 -4.370 9.487 3.350 693 HD2 TYR 92 HD2 TYR 92 -4.210 6.793 0.060 694 HE1 TYR 92 HE1 TYR 92 -2.750 8.100 4.574 695 HE2 TYR 92 HE2 TYR 92 -2.590 5.399 1.275 696 HH TYR 92 HH TYR 92 -1.028 5.513 3.048 697 H LEU 93 HN LEU 93 -5.104 10.194 -2.140 698 HA LEU 93 HA LEU 93 -2.682 8.942 -2.798 699 HB2 LEU 93 HB2 LEU 93 -4.537 10.591 -4.514 700 HB3 LEU 93 HB1 LEU 93 -3.186 9.663 -5.142 701 HG LEU 93 HG LEU 93 -5.576 8.508 -3.703 702 HD11 LEU 93 HD11 LEU 93 -6.174 7.611 -5.900 703 HD12 LEU 93 HD12 LEU 93 -4.825 8.489 -6.620 704 HD13 LEU 93 HD13 LEU 93 -6.166 9.375 -5.892 705 HD21 LEU 93 HD21 LEU 93 -3.656 7.123 -3.313 706 HD22 LEU 93 HD22 LEU 93 -3.195 7.204 -5.014 707 HD23 LEU 93 HD23 LEU 93 -4.661 6.345 -4.536 708 H ALA 94 HN ALA 94 -3.625 12.352 -2.889 709 HA ALA 94 HA ALA 94 -1.144 13.266 -3.923 710 HB1 ALA 94 HB1 ALA 94 -3.227 14.776 -2.349 711 HB2 ALA 94 HB2 ALA 94 -3.192 14.582 -4.102 712 HB3 ALA 94 HB3 ALA 94 -1.918 15.492 -3.289 713 H ALA 95 HN ALA 95 -2.096 12.185 -0.835 714 HA ALA 95 HA ALA 95 -0.020 13.692 0.561 715 HB1 ALA 95 HB1 ALA 95 -2.112 11.796 1.618 716 HB2 ALA 95 HB2 ALA 95 -2.213 13.558 1.611 717 HB3 ALA 95 HB3 ALA 95 -0.995 12.746 2.597 718 H LEU 96 HN LEU 96 -0.260 10.847 -1.121 719 HA LEU 96 HA LEU 96 0.967 8.897 0.362 720 HB2 LEU 96 HB2 LEU 96 1.232 9.496 -2.571 721 HB3 LEU 96 HB1 LEU 96 1.956 8.084 -1.831 722 HG LEU 96 HG LEU 96 -0.995 8.698 -1.797 723 HD11 LEU 96 HD11 LEU 96 -1.199 6.945 -3.472 724 HD12 LEU 96 HD12 LEU 96 0.554 6.755 -3.504 725 HD13 LEU 96 HD13 LEU 96 -0.181 8.257 -4.062 726 HD21 LEU 96 HD21 LEU 96 -0.348 7.326 0.079 727 HD22 LEU 96 HD22 LEU 96 0.575 6.258 -0.976 728 HD23 LEU 96 HD23 LEU 96 -1.182 6.326 -1.110 729 HA PRO 97 HA PRO 97 5.410 10.635 -0.995 730 HB2 PRO 97 HB2 PRO 97 5.310 13.428 -0.793 731 HB3 PRO 97 HB1 PRO 97 5.460 12.498 -2.287 732 HG2 PRO 97 HG2 PRO 97 3.027 13.687 -1.028 733 HG3 PRO 97 HG1 PRO 97 3.460 13.566 -2.744 734 HD2 PRO 97 HD2 PRO 97 1.645 11.933 -1.681 735 HD3 PRO 97 HD1 PRO 97 2.820 11.327 -2.870 736 H ARG 98 HN ARG 98 3.225 12.481 1.097 737 HA ARG 98 HA ARG 98 5.206 12.988 3.099 738 HB2 ARG 98 HB2 ARG 98 3.328 14.503 2.853 739 HB3 ARG 98 HB1 ARG 98 2.193 13.206 3.202 740 HG2 ARG 98 HG2 ARG 98 3.077 13.033 5.468 741 HG3 ARG 98 HG1 ARG 98 4.232 14.320 5.118 742 HD2 ARG 98 HD2 ARG 98 2.490 15.916 4.849 743 HD3 ARG 98 HD1 ARG 98 1.256 14.660 4.881 744 HE ARG 98 HE ARG 98 2.805 14.698 7.274 745 HH11 ARG 98 HH11 ARG 98 0.153 16.265 5.627 746 HH12 ARG 98 HH12 ARG 98 -0.587 16.837 7.088 747 HH21 ARG 98 HH21 ARG 98 1.835 15.416 9.204 748 HH22 ARG 98 HH22 ARG 98 0.359 16.324 9.133 749 H LYS 99 HN LYS 99 2.729 10.554 2.625 750 HA LYS 99 HA LYS 99 2.970 9.377 5.220 751 HB2 LYS 99 HB2 LYS 99 1.660 8.643 2.646 752 HB3 LYS 99 HB1 LYS 99 1.971 7.354 3.791 753 HG2 LYS 99 HG2 LYS 99 -0.291 8.227 4.009 754 HG3 LYS 99 HG1 LYS 99 0.647 8.498 5.476 755 HD2 LYS 99 HD2 LYS 99 0.939 10.806 4.955 756 HD3 LYS 99 HD1 LYS 99 0.284 10.582 3.332 757 HE2 LYS 99 HE2 LYS 99 -1.344 11.632 4.829 758 HE3 LYS 99 HE1 LYS 99 -1.900 10.060 4.263 759 HZ1 LYS 99 HZ1 LYS 99 -2.347 10.296 6.596 760 HZ2 LYS 99 HZ2 LYS 99 -0.727 10.661 6.923 761 HZ3 LYS 99 HZ3 LYS 99 -1.150 9.115 6.390 762 H LEU 100 HN LEU 100 4.356 8.818 2.062 763 HA LEU 100 HA LEU 100 5.730 6.443 2.581 764 HB2 LEU 100 HB2 LEU 100 5.315 7.465 0.339 765 HB3 LEU 100 HB1 LEU 100 6.529 8.671 0.709 766 HG LEU 100 HG LEU 100 8.189 6.785 0.925 767 HD11 LEU 100 HD11 LEU 100 7.600 4.682 -0.207 768 HD12 LEU 100 HD12 LEU 100 5.927 5.228 -0.311 769 HD13 LEU 100 HD13 LEU 100 6.669 4.945 1.264 770 HD21 LEU 100 HD21 LEU 100 6.854 7.119 -1.755 771 HD22 LEU 100 HD22 LEU 100 8.511 6.588 -1.465 772 HD23 LEU 100 HD23 LEU 100 8.029 8.233 -1.053 773 H ALA 101 HN ALA 101 6.837 9.815 2.696 774 HA ALA 101 HA ALA 101 9.448 9.305 3.569 775 HB1 ALA 101 HB1 ALA 101 7.763 11.741 4.141 776 HB2 ALA 101 HB2 ALA 101 8.678 11.461 2.658 777 HB3 ALA 101 HB3 ALA 101 9.524 11.643 4.196 778 H ALA 102 HN ALA 102 6.424 9.564 5.300 779 HA ALA 102 HA ALA 102 7.508 9.760 7.907 780 HB1 ALA 102 HB1 ALA 102 5.217 10.406 7.408 781 HB2 ALA 102 HB2 ALA 102 5.255 9.162 8.657 782 HB3 ALA 102 HB3 ALA 102 4.820 8.737 7.002 783 H TRP 103 HN TRP 103 6.286 7.004 6.012 784 HA TRP 103 HA TRP 103 6.721 5.058 7.997 785 HB2 TRP 103 HB2 TRP 103 6.608 4.797 4.982 786 HB3 TRP 103 HB1 TRP 103 6.677 3.419 6.081 787 HD1 TRP 103 HD1 TRP 103 4.560 4.463 8.250 788 HE1 TRP 103 HE1 TRP 103 2.063 4.529 7.633 789 HE3 TRP 103 HE3 TRP 103 4.993 4.477 3.163 790 HZ2 TRP 103 HZ2 TRP 103 0.489 4.583 5.292 791 HZ3 TRP 103 HZ3 TRP 103 2.945 4.535 1.806 792 HH2 TRP 103 HH2 TRP 103 0.738 4.587 2.851 793 H GLU 104 HN GLU 104 8.811 6.367 5.483 794 HA GLU 104 HA GLU 104 10.918 4.542 5.730 795 HB2 GLU 104 HB2 GLU 104 11.009 7.471 4.999 796 HB3 GLU 104 HB1 GLU 104 12.356 6.361 4.821 797 HG2 GLU 104 HG2 GLU 104 10.866 4.987 3.313 798 HG3 GLU 104 HG1 GLU 104 9.744 6.352 3.341 799 H ASN 105 HN ASN 105 10.419 7.664 7.329 800 HA ASN 105 HA ASN 105 12.795 7.500 8.875 801 HB2 ASN 105 HB2 ASN 105 11.785 9.649 8.329 802 HB3 ASN 105 HB1 ASN 105 10.338 9.229 9.241 803 HD21 ASN 105 HD21 ASN 105 10.363 9.392 11.476 804 HD22 ASN 105 HD22 ASN 105 11.671 10.115 12.347 805 H ALA 106 HN ALA 106 9.456 6.571 9.502 806 HA ALA 106 HA ALA 106 9.900 6.310 12.338 807 HB1 ALA 106 HB1 ALA 106 7.602 5.592 12.463 808 HB2 ALA 106 HB2 ALA 106 7.540 5.373 10.715 809 HB3 ALA 106 HB3 ALA 106 7.717 6.989 11.393 810 H ARG 107 HN ARG 107 9.413 4.050 9.642 811 HA ARG 107 HA ARG 107 9.691 1.827 11.514 812 HB2 ARG 107 HB2 ARG 107 9.011 1.714 8.576 813 HB3 ARG 107 HB1 ARG 107 8.860 0.406 9.740 814 HG2 ARG 107 HG2 ARG 107 7.277 2.972 9.721 815 HG3 ARG 107 HG1 ARG 107 6.695 1.376 9.255 816 HD2 ARG 107 HD2 ARG 107 7.631 2.173 12.017 817 HD3 ARG 107 HD1 ARG 107 5.955 1.998 11.515 818 HE ARG 107 HE ARG 107 7.802 -0.294 11.390 819 HH11 ARG 107 HH11 ARG 107 4.872 1.197 12.616 820 HH12 ARG 107 HH12 ARG 107 4.277 -0.273 13.321 821 HH21 ARG 107 HH21 ARG 107 7.009 -2.222 12.334 822 HH22 ARG 107 HH22 ARG 107 5.481 -2.205 13.156 823 H GLY 108 HN GLY 108 11.789 3.604 9.719 824 HA2 GLY 108 HA2 GLY 108 14.050 3.264 9.369 825 HA3 GLY 108 HA1 GLY 108 13.870 1.671 10.095 826 H VAL 109 HN VAL 109 12.573 3.255 7.201 827 HA VAL 109 HA VAL 109 13.448 0.912 5.644 828 HB VAL 109 HB VAL 109 10.887 2.484 5.286 829 HG11 VAL 109 HG11 VAL 109 10.346 0.907 3.517 830 HG12 VAL 109 HG12 VAL 109 11.910 0.125 3.722 831 HG13 VAL 109 HG13 VAL 109 11.826 1.788 3.140 832 HG21 VAL 109 HG21 VAL 109 9.756 0.396 5.853 833 HG22 VAL 109 HG22 VAL 109 10.789 0.940 7.174 834 HG23 VAL 109 HG23 VAL 109 11.316 -0.377 6.128 835 H ASP 110 HN ASP 110 14.441 1.348 3.682 836 HA ASP 110 HA ASP 110 14.630 4.190 2.926 837 HB2 ASP 110 HB2 ASP 110 16.702 3.287 4.118 838 HB3 ASP 110 HB1 ASP 110 16.948 2.262 2.702 839 H PHE 111 HN PHE 111 13.282 4.100 1.211 840 HA PHE 111 HA PHE 111 13.108 1.937 -0.598 841 HB2 PHE 111 HB2 PHE 111 12.165 4.794 -0.726 842 HB3 PHE 111 HB1 PHE 111 11.892 3.667 -2.049 843 HD1 PHE 111 HD2 PHE 111 11.368 3.994 1.625 844 HD2 PHE 111 HD1 PHE 111 9.977 2.378 -2.053 845 HE1 PHE 111 HE2 PHE 111 9.361 3.150 2.764 846 HE2 PHE 111 HE1 PHE 111 7.966 1.530 -0.923 847 HZ PHE 111 HZ PHE 111 7.654 1.912 1.490 848 H GLY 112 HN GLY 112 15.236 4.664 -0.449 849 HA2 GLY 112 HA2 GLY 112 15.958 4.686 -3.215 850 HA3 GLY 112 HA1 GLY 112 16.830 5.470 -1.906 851 H SER 113 HN SER 113 17.189 3.053 -0.362 852 HA SER 113 HA SER 113 19.419 1.955 -1.900 853 HB2 SER 113 HB2 SER 113 18.793 1.483 1.017 854 HB3 SER 113 HB1 SER 113 20.344 1.288 0.198 855 HG SER 113 HG SER 113 18.939 3.700 0.731 856 H ARG 114 HN ARG 114 16.267 1.224 -1.409 857 HA ARG 114 HA ARG 114 14.972 -0.599 -1.801 858 HB2 ARG 114 HB2 ARG 114 17.533 -1.827 -2.849 859 HB3 ARG 114 HB1 ARG 114 15.907 -2.449 -3.126 860 HG2 ARG 114 HG2 ARG 114 15.347 -0.362 -4.318 861 HG3 ARG 114 HG1 ARG 114 17.009 0.183 -4.095 862 HD2 ARG 114 HD2 ARG 114 17.767 -1.854 -5.311 863 HD3 ARG 114 HD1 ARG 114 16.076 -2.229 -5.640 864 HE ARG 114 HE ARG 114 17.191 0.343 -6.514 865 HH11 ARG 114 HH11 ARG 114 15.826 -2.787 -7.309 866 HH12 ARG 114 HH12 ARG 114 15.570 -2.379 -8.978 867 HH21 ARG 114 HH21 ARG 114 16.866 0.857 -8.708 868 HH22 ARG 114 HH22 ARG 114 16.166 -0.320 -9.772 869 H THR 115 HN THR 115 16.516 -0.293 0.726 870 HA THR 115 HA THR 115 16.337 -3.064 1.659 871 HB THR 115 HB THR 115 18.354 -2.410 3.175 872 HG1 THR 115 HG1 THR 115 18.996 -0.810 0.924 873 HG21 THR 115 HG21 THR 115 18.440 -4.197 1.517 874 HG22 THR 115 HG22 THR 115 19.934 -3.262 1.491 875 HG23 THR 115 HG23 THR 115 18.717 -3.015 0.238 876 H GLN 116 HN GLN 116 16.389 -3.135 4.127 877 HA GLN 116 HA GLN 116 15.212 -0.765 5.342 878 HB2 GLN 116 HB2 GLN 116 13.299 -2.063 6.225 879 HB3 GLN 116 HB1 GLN 116 13.284 -1.967 4.471 880 HG2 GLN 116 HG2 GLN 116 14.362 -4.245 4.454 881 HG3 GLN 116 HG1 GLN 116 14.028 -4.318 6.184 882 HE21 GLN 116 HE21 GLN 116 12.629 -6.060 5.951 883 HE22 GLN 116 HE22 GLN 116 11.067 -5.904 5.239 884 H ALA 117 HN ALA 117 15.358 -0.705 7.599 885 HA ALA 117 HA ALA 117 17.523 -2.347 8.639 886 HB1 ALA 117 HB1 ALA 117 16.073 -0.027 9.907 887 HB2 ALA 117 HB2 ALA 117 17.557 0.090 8.967 888 HB3 ALA 117 HB3 ALA 117 17.550 -0.780 10.500 889 H ASP 118 HN ASP 118 14.433 -2.952 8.323 890 HA ASP 118 HA ASP 118 14.073 -4.065 11.023 891 HB2 ASP 118 HB2 ASP 118 12.333 -2.425 9.954 892 HB3 ASP 118 HB1 ASP 118 11.855 -3.834 9.006 893 H ALA 119 HN ALA 119 12.894 -6.184 11.054 894 HA ALA 119 HA ALA 119 14.172 -8.044 9.297 895 HB1 ALA 119 HB1 ALA 119 13.682 -8.624 11.624 896 HB2 ALA 119 HB2 ALA 119 12.896 -9.747 10.514 897 HB3 ALA 119 HB3 ALA 119 11.954 -8.481 11.301 898 H LEU 120 HN LEU 120 10.891 -6.770 9.685 899 HA LEU 120 HA LEU 120 10.227 -7.127 6.959 900 HB2 LEU 120 HB2 LEU 120 9.991 -9.477 7.730 901 HB3 LEU 120 HB1 LEU 120 8.862 -8.946 8.954 902 HG LEU 120 HG LEU 120 7.312 -8.205 7.175 903 HD11 LEU 120 HD11 LEU 120 7.718 -8.977 4.874 904 HD12 LEU 120 HD12 LEU 120 9.351 -9.451 5.345 905 HD13 LEU 120 HD13 LEU 120 8.871 -7.755 5.402 906 HD21 LEU 120 HD21 LEU 120 6.619 -10.435 6.476 907 HD22 LEU 120 HD22 LEU 120 7.073 -10.409 8.180 908 HD23 LEU 120 HD23 LEU 120 8.180 -11.083 6.984 909 H VAL 121 HN VAL 121 8.610 -5.625 6.512 910 HA VAL 121 HA VAL 121 7.512 -4.356 8.919 911 HB VAL 121 HB VAL 121 9.116 -2.873 7.959 912 HG11 VAL 121 HG11 VAL 121 9.213 -3.786 5.705 913 HG12 VAL 121 HG12 VAL 121 9.008 -2.035 5.684 914 HG13 VAL 121 HG13 VAL 121 7.634 -3.085 5.350 915 HG21 VAL 121 HG21 VAL 121 6.315 -1.975 7.310 916 HG22 VAL 121 HG22 VAL 121 7.715 -0.909 7.434 917 HG23 VAL 121 HG23 VAL 121 7.156 -1.798 8.851 918 H LEU 122 HN LEU 122 5.600 -5.328 9.035 919 HA LEU 122 HA LEU 122 3.776 -5.103 6.739 920 HB2 LEU 122 HB2 LEU 122 3.396 -6.755 9.237 921 HB3 LEU 122 HB1 LEU 122 2.470 -6.850 7.755 922 HG LEU 122 HG LEU 122 5.356 -7.681 8.093 923 HD11 LEU 122 HD11 LEU 122 4.492 -9.938 7.710 924 HD12 LEU 122 HD12 LEU 122 2.849 -9.301 7.694 925 HD13 LEU 122 HD13 LEU 122 3.816 -9.211 9.166 926 HD21 LEU 122 HD21 LEU 122 4.967 -6.818 5.854 927 HD22 LEU 122 HD22 LEU 122 3.555 -7.862 5.683 928 HD23 LEU 122 HD23 LEU 122 5.164 -8.570 5.824 929 H LEU 123 HN LEU 123 2.647 -3.252 6.862 930 HA LEU 123 HA LEU 123 2.020 -2.173 9.509 931 HB2 LEU 123 HB2 LEU 123 1.780 -0.833 6.818 932 HB3 LEU 123 HB1 LEU 123 1.595 -0.065 8.381 933 HG LEU 123 HG LEU 123 4.148 -1.217 7.270 934 HD11 LEU 123 HD11 LEU 123 4.888 1.086 7.154 935 HD12 LEU 123 HD12 LEU 123 3.338 1.639 7.784 936 HD13 LEU 123 HD13 LEU 123 3.421 0.872 6.198 937 HD21 LEU 123 HD21 LEU 123 5.213 -0.237 9.235 938 HD22 LEU 123 HD22 LEU 123 4.041 -1.469 9.694 939 HD23 LEU 123 HD23 LEU 123 3.634 0.239 9.860 940 H GLY 124 HN GLY 124 0.157 -2.830 10.286 941 HA2 GLY 124 HA2 GLY 124 -2.191 -2.807 8.500 942 HA3 GLY 124 HA1 GLY 124 -2.056 -3.800 9.945 943 H GLY 125 HN GLY 125 -4.275 -2.293 9.710 944 HA2 GLY 125 HA2 GLY 125 -5.530 -0.912 11.056 945 HA3 GLY 125 HA1 GLY 125 -4.092 -0.626 12.026 946 H LEU 126 HN LEU 126 -3.794 0.012 8.660 947 HA LEU 126 HA LEU 126 -3.408 2.800 9.156 948 HB2 LEU 126 HB2 LEU 126 -3.280 1.060 6.737 949 HB3 LEU 126 HB1 LEU 126 -3.401 2.796 6.521 950 HG LEU 126 HG LEU 126 -1.338 3.067 7.889 951 HD11 LEU 126 HD11 LEU 126 -1.165 0.067 7.670 952 HD12 LEU 126 HD12 LEU 126 -1.497 0.969 9.150 953 HD13 LEU 126 HD13 LEU 126 0.057 1.146 8.340 954 HD21 LEU 126 HD21 LEU 126 0.188 2.314 6.141 955 HD22 LEU 126 HD22 LEU 126 -1.259 3.049 5.452 956 HD23 LEU 126 HD23 LEU 126 -1.081 1.294 5.462 957 H ASP 127 HN ASP 127 -4.549 4.531 8.277 958 HA ASP 127 HA ASP 127 -7.351 3.973 7.550 959 HB2 ASP 127 HB2 ASP 127 -6.323 6.161 9.389 960 HB3 ASP 127 HB1 ASP 127 -7.980 6.062 8.791 961 H PHE 128 HN PHE 128 -8.321 6.143 6.599 962 HA PHE 128 HA PHE 128 -6.341 7.025 4.622 963 HB2 PHE 128 HB2 PHE 128 -9.321 6.773 4.562 964 HB3 PHE 128 HB1 PHE 128 -8.527 7.915 3.478 965 HD1 PHE 128 HD2 PHE 128 -8.773 4.348 4.406 966 HD2 PHE 128 HD1 PHE 128 -7.319 7.176 1.579 967 HE1 PHE 128 HE2 PHE 128 -8.236 2.515 2.857 968 HE2 PHE 128 HE1 PHE 128 -6.774 5.349 0.028 969 HZ PHE 128 HZ PHE 128 -7.234 3.012 0.662 970 H GLU 129 HN GLU 129 -6.247 8.100 7.192 971 HA GLU 129 HA GLU 129 -7.264 10.796 7.045 972 HB2 GLU 129 HB2 GLU 129 -5.291 9.500 8.941 973 HB3 GLU 129 HB1 GLU 129 -5.881 11.146 9.091 974 HG2 GLU 129 HG2 GLU 129 -7.570 8.663 9.223 975 HG3 GLU 129 HG1 GLU 129 -7.033 9.621 10.601 976 H ALA 130 HN ALA 130 -6.362 12.247 5.749 977 HA ALA 130 HA ALA 130 -3.679 11.850 4.737 978 HB1 ALA 130 HB1 ALA 130 -5.454 12.553 3.209 979 HB2 ALA 130 HB2 ALA 130 -4.165 13.754 3.286 980 HB3 ALA 130 HB3 ALA 130 -5.680 14.031 4.146 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -19.798 -9.953 12.588 2 H2 GLY 1 HT2 GLY 1 -20.335 -8.923 13.813 3 H3 GLY 1 HT3 GLY 1 -21.381 -9.362 12.562 4 HA2 GLY 1 HA1 GLY 1 -20.282 -11.140 14.664 5 HA3 GLY 1 HA2 GLY 1 -21.951 -10.605 14.517 6 H ALA 2 HN ALA 2 -22.865 -11.083 12.203 7 HA ALA 2 HA ALA 2 -21.930 -13.713 11.291 8 HB1 ALA 2 HB1 ALA 2 -23.819 -14.105 12.779 9 HB2 ALA 2 HB2 ALA 2 -24.259 -14.478 11.113 10 HB3 ALA 2 HB3 ALA 2 -24.802 -12.973 11.853 11 H MET 3 HN MET 3 -21.632 -13.759 9.174 12 HA MET 3 HA MET 3 -21.674 -13.255 6.965 13 HB2 MET 3 HB2 MET 3 -24.488 -12.316 7.596 14 HB3 MET 3 HB1 MET 3 -23.852 -12.582 5.977 15 HG2 MET 3 HG2 MET 3 -24.159 -14.688 8.109 16 HG3 MET 3 HG1 MET 3 -25.251 -14.435 6.750 17 HE1 MET 3 HE1 MET 3 -23.868 -17.238 7.492 18 HE2 MET 3 HE2 MET 3 -23.453 -17.810 5.877 19 HE3 MET 3 HE3 MET 3 -25.000 -17.013 6.159 20 H GLY 4 HN GLY 4 -20.300 -11.448 8.364 21 HA2 GLY 4 HA2 GLY 4 -21.174 -8.821 7.344 22 HA3 GLY 4 HA1 GLY 4 -20.043 -9.065 8.669 23 H MET 5 HN MET 5 -20.120 -10.639 5.512 24 HA MET 5 HA MET 5 -17.292 -10.075 5.167 25 HB2 MET 5 HB2 MET 5 -19.197 -11.538 3.325 26 HB3 MET 5 HB1 MET 5 -17.444 -11.530 3.215 27 HG2 MET 5 HG2 MET 5 -17.256 -12.757 5.274 28 HG3 MET 5 HG1 MET 5 -18.998 -12.657 5.534 29 HE1 MET 5 HE1 MET 5 -20.786 -13.845 3.996 30 HE2 MET 5 HE2 MET 5 -20.383 -14.886 2.630 31 HE3 MET 5 HE3 MET 5 -20.083 -13.152 2.534 32 H SER 6 HN SER 6 -20.249 -9.592 3.258 33 HA SER 6 HA SER 6 -20.818 -8.122 1.631 34 HB2 SER 6 HB2 SER 6 -20.369 -6.473 3.465 35 HB3 SER 6 HB1 SER 6 -18.722 -6.308 2.859 36 HG SER 6 HG SER 6 -19.593 -4.791 1.677 37 HA PRO 7 HA PRO 7 -17.181 -9.583 -0.878 38 HB2 PRO 7 HB2 PRO 7 -18.786 -10.437 -2.949 39 HB3 PRO 7 HB1 PRO 7 -18.237 -11.459 -1.619 40 HG2 PRO 7 HG2 PRO 7 -20.855 -10.074 -1.989 41 HG3 PRO 7 HG1 PRO 7 -20.520 -11.687 -1.333 42 HD2 PRO 7 HD2 PRO 7 -21.094 -9.595 0.257 43 HD3 PRO 7 HD1 PRO 7 -19.948 -10.855 0.754 44 H ASP 8 HN ASP 8 -19.908 -7.521 -1.451 45 HA ASP 8 HA ASP 8 -19.046 -6.387 -3.907 46 HB2 ASP 8 HB2 ASP 8 -20.892 -5.375 -1.745 47 HB3 ASP 8 HB1 ASP 8 -20.524 -4.428 -3.182 48 H THR 9 HN THR 9 -18.560 -5.488 -0.524 49 HA THR 9 HA THR 9 -17.124 -3.114 -1.014 50 HB THR 9 HB THR 9 -16.984 -4.980 1.365 51 HG1 THR 9 HG1 THR 9 -18.526 -2.607 1.000 52 HG21 THR 9 HG21 THR 9 -16.222 -2.983 2.598 53 HG22 THR 9 HG22 THR 9 -16.177 -2.085 1.079 54 HG23 THR 9 HG23 THR 9 -15.090 -3.452 1.327 55 H ALA 10 HN ALA 10 -16.063 -6.421 -0.277 56 HA ALA 10 HA ALA 10 -13.320 -5.984 -0.407 57 HB1 ALA 10 HB1 ALA 10 -14.360 -7.998 0.528 58 HB2 ALA 10 HB2 ALA 10 -13.119 -8.386 -0.662 59 HB3 ALA 10 HB3 ALA 10 -14.823 -8.502 -1.099 60 H ARG 11 HN ARG 11 -15.632 -6.829 -2.948 61 HA ARG 11 HA ARG 11 -13.666 -7.379 -4.919 62 HB2 ARG 11 HB2 ARG 11 -15.957 -8.287 -5.013 63 HB3 ARG 11 HB1 ARG 11 -16.576 -6.666 -5.299 64 HG2 ARG 11 HG2 ARG 11 -15.468 -6.550 -7.420 65 HG3 ARG 11 HG1 ARG 11 -14.628 -8.073 -7.117 66 HD2 ARG 11 HD2 ARG 11 -17.604 -7.696 -7.447 67 HD3 ARG 11 HD1 ARG 11 -16.505 -8.429 -8.614 68 HE ARG 11 HE ARG 11 -16.218 -9.868 -6.273 69 HH11 ARG 11 HH11 ARG 11 -18.776 -9.161 -8.552 70 HH12 ARG 11 HH12 ARG 11 -19.632 -10.640 -8.251 71 HH21 ARG 11 HH21 ARG 11 -17.342 -11.817 -5.864 72 HH22 ARG 11 HH22 ARG 11 -18.816 -12.149 -6.716 73 H ARG 12 HN ARG 12 -15.680 -4.520 -4.257 74 HA ARG 12 HA ARG 12 -14.828 -3.111 -6.553 75 HB2 ARG 12 HB2 ARG 12 -16.025 -2.094 -3.977 76 HB3 ARG 12 HB1 ARG 12 -15.781 -1.105 -5.412 77 HG2 ARG 12 HG2 ARG 12 -17.211 -2.826 -6.634 78 HG3 ARG 12 HG1 ARG 12 -17.647 -3.423 -5.034 79 HD2 ARG 12 HD2 ARG 12 -19.341 -1.897 -5.704 80 HD3 ARG 12 HD1 ARG 12 -18.380 -1.091 -4.467 81 HE ARG 12 HE ARG 12 -17.237 0.075 -6.345 82 HH11 ARG 12 HH11 ARG 12 -20.465 -1.224 -6.783 83 HH12 ARG 12 HH12 ARG 12 -20.863 -0.135 -8.068 84 HH21 ARG 12 HH21 ARG 12 -17.764 1.507 -8.038 85 HH22 ARG 12 HH22 ARG 12 -19.326 1.414 -8.788 86 H PHE 13 HN PHE 13 -13.628 -3.186 -3.227 87 HA PHE 13 HA PHE 13 -11.713 -1.122 -3.604 88 HB2 PHE 13 HB2 PHE 13 -12.406 -1.834 -1.360 89 HB3 PHE 13 HB1 PHE 13 -11.703 -3.420 -1.632 90 HD1 PHE 13 HD1 PHE 13 -10.930 0.157 -1.167 91 HD2 PHE 13 HD2 PHE 13 -9.374 -3.803 -1.347 92 HE1 PHE 13 HE1 PHE 13 -8.788 0.960 -0.265 93 HE2 PHE 13 HE2 PHE 13 -7.233 -3.006 -0.444 94 HZ PHE 13 HZ PHE 13 -6.922 -0.618 0.062 95 H ASP 14 HN ASP 14 -11.574 -4.638 -3.825 96 HA ASP 14 HA ASP 14 -8.848 -4.913 -4.352 97 HB2 ASP 14 HB2 ASP 14 -10.338 -6.751 -3.667 98 HB3 ASP 14 HB1 ASP 14 -11.139 -6.679 -5.229 99 H THR 15 HN THR 15 -11.500 -4.101 -6.480 100 HA THR 15 HA THR 15 -9.837 -4.595 -8.829 101 HB THR 15 HB THR 15 -11.974 -4.139 -10.091 102 HG1 THR 15 HG1 THR 15 -13.257 -4.536 -7.594 103 HG21 THR 15 HG21 THR 15 -11.971 -6.392 -8.081 104 HG22 THR 15 HG22 THR 15 -11.183 -6.406 -9.658 105 HG23 THR 15 HG23 THR 15 -12.941 -6.331 -9.552 106 H GLU 16 HN GLU 16 -11.555 -1.912 -7.240 107 HA GLU 16 HA GLU 16 -10.758 -0.155 -9.435 108 HB2 GLU 16 HB2 GLU 16 -13.083 -0.066 -8.662 109 HB3 GLU 16 HB1 GLU 16 -12.535 0.383 -7.053 110 HG2 GLU 16 HG2 GLU 16 -13.337 2.319 -8.282 111 HG3 GLU 16 HG1 GLU 16 -11.613 2.456 -7.926 112 H PHE 17 HN PHE 17 -10.293 -0.432 -5.919 113 HA PHE 17 HA PHE 17 -8.809 2.073 -5.959 114 HB2 PHE 17 HB2 PHE 17 -9.720 0.325 -3.672 115 HB3 PHE 17 HB1 PHE 17 -8.767 1.789 -3.465 116 HD1 PHE 17 HD2 PHE 17 -12.021 0.498 -4.696 117 HD2 PHE 17 HD1 PHE 17 -9.782 3.922 -3.498 118 HE1 PHE 17 HE2 PHE 17 -14.080 1.840 -4.688 119 HE2 PHE 17 HE1 PHE 17 -11.842 5.266 -3.495 120 HZ PHE 17 HZ PHE 17 -13.992 4.225 -4.089 121 H ALA 18 HN ALA 18 -8.223 -1.315 -5.029 122 HA ALA 18 HA ALA 18 -5.659 -0.961 -4.025 123 HB1 ALA 18 HB1 ALA 18 -6.686 -3.435 -5.398 124 HB2 ALA 18 HB2 ALA 18 -7.015 -2.994 -3.724 125 HB3 ALA 18 HB3 ALA 18 -5.363 -3.335 -4.238 126 HA PRO 19 HA PRO 19 -3.893 -1.970 -8.495 127 HB2 PRO 19 HB2 PRO 19 -6.079 -0.742 -10.102 128 HB3 PRO 19 HB1 PRO 19 -5.084 -2.165 -10.457 129 HG2 PRO 19 HG2 PRO 19 -7.601 -2.461 -9.699 130 HG3 PRO 19 HG1 PRO 19 -6.344 -3.543 -9.073 131 HD2 PRO 19 HD2 PRO 19 -7.658 -1.199 -7.743 132 HD3 PRO 19 HD1 PRO 19 -7.259 -2.794 -7.073 133 H ARG 20 HN ARG 20 -5.933 0.808 -7.773 134 HA ARG 20 HA ARG 20 -4.314 2.668 -9.237 135 HB2 ARG 20 HB2 ARG 20 -6.540 3.029 -7.237 136 HB3 ARG 20 HB1 ARG 20 -5.669 4.389 -7.932 137 HG2 ARG 20 HG2 ARG 20 -6.381 3.738 -10.159 138 HG3 ARG 20 HG1 ARG 20 -7.208 2.327 -9.499 139 HD2 ARG 20 HD2 ARG 20 -8.775 4.142 -9.950 140 HD3 ARG 20 HD1 ARG 20 -8.694 3.778 -8.228 141 HE ARG 20 HE ARG 20 -6.944 5.914 -9.066 142 HH11 ARG 20 HH11 ARG 20 -10.155 5.075 -7.945 143 HH12 ARG 20 HH12 ARG 20 -10.498 6.664 -7.343 144 HH21 ARG 20 HH21 ARG 20 -7.393 8.014 -8.283 145 HH22 ARG 20 HH22 ARG 20 -8.930 8.338 -7.537 146 H ILE 21 HN ILE 21 -4.464 1.487 -5.952 147 HA ILE 21 HA ILE 21 -2.740 3.407 -4.782 148 HB ILE 21 HB ILE 21 -3.118 0.517 -3.968 149 HG12 ILE 21 HG12 ILE 21 -4.525 2.995 -2.949 150 HG13 ILE 21 HG11 ILE 21 -5.241 1.815 -4.041 151 HG21 ILE 21 HG21 ILE 21 -2.148 2.869 -2.345 152 HG22 ILE 21 HG22 ILE 21 -1.113 1.614 -3.026 153 HG23 ILE 21 HG23 ILE 21 -2.304 1.201 -1.794 154 HD11 ILE 21 HD11 ILE 21 -6.030 1.412 -1.814 155 HD12 ILE 21 HD12 ILE 21 -4.382 1.356 -1.191 156 HD13 ILE 21 HD13 ILE 21 -4.958 0.091 -2.278 157 H ALA 22 HN ALA 22 -2.169 0.139 -6.043 158 HA ALA 22 HA ALA 22 0.610 0.114 -5.624 159 HB1 ALA 22 HB1 ALA 22 -0.691 -1.912 -5.972 160 HB2 ALA 22 HB2 ALA 22 0.627 -1.804 -7.139 161 HB3 ALA 22 HB3 ALA 22 -1.022 -1.425 -7.633 162 H ARG 23 HN ARG 23 -1.337 1.183 -8.345 163 HA ARG 23 HA ARG 23 0.819 1.524 -10.155 164 HB2 ARG 23 HB2 ARG 23 -1.578 1.329 -10.815 165 HB3 ARG 23 HB1 ARG 23 -1.862 2.924 -10.133 166 HG2 ARG 23 HG2 ARG 23 -0.304 3.890 -11.754 167 HG3 ARG 23 HG1 ARG 23 -0.041 2.288 -12.446 168 HD2 ARG 23 HD2 ARG 23 -1.655 3.535 -13.770 169 HD3 ARG 23 HD1 ARG 23 -2.422 2.144 -13.003 170 HE ARG 23 HE ARG 23 -2.633 4.675 -11.585 171 HH11 ARG 23 HH11 ARG 23 -4.141 2.380 -13.756 172 HH12 ARG 23 HH12 ARG 23 -5.742 2.995 -13.503 173 HH21 ARG 23 HH21 ARG 23 -4.736 5.493 -11.252 174 HH22 ARG 23 HH22 ARG 23 -6.082 4.779 -12.087 175 H ALA 24 HN ALA 24 -0.810 3.661 -7.861 176 HA ALA 24 HA ALA 24 0.527 6.039 -8.599 177 HB1 ALA 24 HB1 ALA 24 -1.540 6.033 -7.285 178 HB2 ALA 24 HB2 ALA 24 -0.256 6.924 -6.467 179 HB3 ALA 24 HB3 ALA 24 -0.679 5.295 -5.936 180 H ILE 25 HN ILE 25 1.139 3.643 -6.070 181 HA ILE 25 HA ILE 25 3.447 4.819 -4.996 182 HB ILE 25 HB ILE 25 2.687 1.892 -5.110 183 HG12 ILE 25 HG12 ILE 25 2.295 3.966 -2.933 184 HG13 ILE 25 HG11 ILE 25 1.029 3.325 -3.975 185 HG21 ILE 25 HG21 ILE 25 4.215 1.626 -3.196 186 HG22 ILE 25 HG22 ILE 25 4.726 3.303 -3.389 187 HG23 ILE 25 HG23 ILE 25 5.057 2.129 -4.662 188 HD11 ILE 25 HD11 ILE 25 1.342 1.115 -3.023 189 HD12 ILE 25 HD12 ILE 25 1.002 2.301 -1.763 190 HD13 ILE 25 HD13 ILE 25 2.650 1.724 -2.011 191 H ALA 26 HN ALA 26 3.042 2.412 -7.571 192 HA ALA 26 HA ALA 26 5.747 1.900 -8.063 193 HB1 ALA 26 HB1 ALA 26 5.015 1.103 -10.267 194 HB2 ALA 26 HB2 ALA 26 3.432 1.830 -9.994 195 HB3 ALA 26 HB3 ALA 26 3.981 0.502 -8.972 196 H ASP 27 HN ASP 27 3.601 4.403 -9.273 197 HA ASP 27 HA ASP 27 5.432 5.499 -11.152 198 HB2 ASP 27 HB2 ASP 27 3.064 5.915 -11.407 199 HB3 ASP 27 HB1 ASP 27 2.983 6.671 -9.822 200 H LEU 28 HN LEU 28 4.611 6.217 -7.809 201 HA LEU 28 HA LEU 28 6.085 8.617 -7.614 202 HB2 LEU 28 HB2 LEU 28 4.265 7.967 -6.068 203 HB3 LEU 28 HB1 LEU 28 5.272 6.678 -5.444 204 HG LEU 28 HG LEU 28 6.873 8.359 -4.593 205 HD11 LEU 28 HD11 LEU 28 6.101 10.724 -4.490 206 HD12 LEU 28 HD12 LEU 28 4.828 10.309 -5.638 207 HD13 LEU 28 HD13 LEU 28 6.522 10.173 -6.109 208 HD21 LEU 28 HD21 LEU 28 5.475 9.156 -2.758 209 HD22 LEU 28 HD22 LEU 28 5.106 7.476 -3.148 210 HD23 LEU 28 HD23 LEU 28 4.026 8.764 -3.681 211 H LEU 29 HN LEU 29 6.890 5.241 -7.132 212 HA LEU 29 HA LEU 29 9.539 5.865 -6.128 213 HB2 LEU 29 HB2 LEU 29 8.342 3.206 -6.926 214 HB3 LEU 29 HB1 LEU 29 9.849 3.437 -6.059 215 HG LEU 29 HG LEU 29 7.110 4.148 -5.016 216 HD11 LEU 29 HD11 LEU 29 8.952 1.877 -4.285 217 HD12 LEU 29 HD12 LEU 29 7.451 1.737 -5.198 218 HD13 LEU 29 HD13 LEU 29 7.412 2.255 -3.514 219 HD21 LEU 29 HD21 LEU 29 8.317 4.406 -2.858 220 HD22 LEU 29 HD22 LEU 29 8.745 5.617 -4.064 221 HD23 LEU 29 HD23 LEU 29 9.837 4.268 -3.743 222 H ASN 30 HN ASN 30 8.241 6.139 -9.042 223 HA ASN 30 HA ASN 30 8.964 6.174 -11.180 224 HB2 ASN 30 HB2 ASN 30 11.617 6.341 -9.756 225 HB3 ASN 30 HB1 ASN 30 11.477 6.441 -11.507 226 HD21 ASN 30 HD21 ASN 30 10.890 8.054 -8.491 227 HD22 ASN 30 HD22 ASN 30 10.474 9.588 -9.164 228 H HIS 31 HN HIS 31 8.432 3.644 -10.005 229 HA HIS 31 HA HIS 31 8.550 1.426 -10.447 230 HB2 HIS 31 HB2 HIS 31 9.679 2.475 -13.044 231 HB3 HIS 31 HB1 HIS 31 9.260 0.786 -12.775 232 HD1 HIS 31 HD1 HIS 31 6.704 0.250 -12.457 233 HD2 HIS 31 HD2 HIS 31 7.563 4.146 -13.609 234 HE1 HIS 31 HE1 HIS 31 4.513 1.232 -13.205 235 HE2 HIS 31 HE2 HIS 31 5.027 3.649 -13.688 236 H ARG 32 HN ARG 32 10.828 2.621 -9.053 237 HA ARG 32 HA ARG 32 13.071 0.971 -9.874 238 HB2 ARG 32 HB2 ARG 32 12.676 2.763 -7.468 239 HB3 ARG 32 HB1 ARG 32 14.168 1.907 -7.831 240 HG2 ARG 32 HG2 ARG 32 14.439 3.178 -9.873 241 HG3 ARG 32 HG1 ARG 32 12.896 3.989 -9.597 242 HD2 ARG 32 HD2 ARG 32 15.337 4.147 -7.835 243 HD3 ARG 32 HD1 ARG 32 14.758 5.408 -8.922 244 HE ARG 32 HE ARG 32 12.712 5.454 -7.487 245 HH11 ARG 32 HH11 ARG 32 15.787 4.379 -6.207 246 HH12 ARG 32 HH12 ARG 32 15.385 4.761 -4.565 247 HH21 ARG 32 HH21 ARG 32 12.180 5.968 -5.325 248 HH22 ARG 32 HH22 ARG 32 13.325 5.651 -4.057 249 H ALA 33 HN ALA 33 10.324 0.728 -7.915 250 HA ALA 33 HA ALA 33 11.323 -1.782 -6.755 251 HB1 ALA 33 HB1 ALA 33 11.112 -0.080 -5.002 252 HB2 ALA 33 HB2 ALA 33 9.940 -1.379 -4.784 253 HB3 ALA 33 HB3 ALA 33 9.425 0.170 -5.449 254 H HIS 34 HN HIS 34 9.670 -3.402 -6.438 255 HA HIS 34 HA HIS 34 7.643 -3.232 -8.558 256 HB2 HIS 34 HB2 HIS 34 9.306 -5.083 -8.686 257 HB3 HIS 34 HB1 HIS 34 8.762 -5.661 -7.118 258 HD1 HIS 34 HD1 HIS 34 7.928 -5.720 -10.726 259 HD2 HIS 34 HD2 HIS 34 6.191 -6.900 -7.134 260 HE1 HIS 34 HE1 HIS 34 6.058 -7.279 -11.355 261 HE2 HIS 34 HE2 HIS 34 5.124 -8.097 -9.164 262 H THR 35 HN THR 35 5.537 -3.167 -8.049 263 HA THR 35 HA THR 35 4.816 -3.703 -5.250 264 HB THR 35 HB THR 35 2.819 -2.242 -5.718 265 HG1 THR 35 HG1 THR 35 2.949 -0.898 -7.567 266 HG21 THR 35 HG21 THR 35 4.841 -1.448 -4.533 267 HG22 THR 35 HG22 THR 35 4.047 -0.166 -5.449 268 HG23 THR 35 HG23 THR 35 5.512 -0.922 -6.076 269 H ASP 36 HN ASP 36 3.156 -5.083 -4.798 270 HA ASP 36 HA ASP 36 1.884 -6.425 -7.087 271 HB2 ASP 36 HB2 ASP 36 3.667 -7.890 -6.325 272 HB3 ASP 36 HB1 ASP 36 3.117 -7.747 -4.658 273 H VAL 37 HN VAL 37 -0.227 -6.376 -6.965 274 HA VAL 37 HA VAL 37 -1.527 -5.658 -4.471 275 HB VAL 37 HB VAL 37 -2.867 -6.229 -7.115 276 HG11 VAL 37 HG11 VAL 37 -3.721 -4.610 -4.717 277 HG12 VAL 37 HG12 VAL 37 -4.341 -6.197 -5.176 278 HG13 VAL 37 HG13 VAL 37 -4.639 -4.800 -6.211 279 HG21 VAL 37 HG21 VAL 37 -2.810 -3.816 -7.533 280 HG22 VAL 37 HG22 VAL 37 -1.187 -4.499 -7.465 281 HG23 VAL 37 HG23 VAL 37 -1.820 -3.591 -6.093 282 H VAL 38 HN VAL 38 -1.548 -7.386 -3.133 283 HA VAL 38 HA VAL 38 -2.226 -10.032 -3.970 284 HB VAL 38 HB VAL 38 -2.314 -8.889 -1.173 285 HG11 VAL 38 HG11 VAL 38 -3.471 -11.000 -1.371 286 HG12 VAL 38 HG12 VAL 38 -1.966 -11.210 -0.476 287 HG13 VAL 38 HG13 VAL 38 -2.067 -11.721 -2.160 288 HG21 VAL 38 HG21 VAL 38 -0.114 -8.514 -2.129 289 HG22 VAL 38 HG22 VAL 38 -0.023 -10.203 -2.627 290 HG23 VAL 38 HG23 VAL 38 -0.041 -9.790 -0.913 291 H GLY 39 HN GLY 39 -4.195 -10.718 -4.480 292 HA2 GLY 39 HA2 GLY 39 -6.445 -8.978 -4.205 293 HA3 GLY 39 HA1 GLY 39 -6.452 -10.590 -4.906 294 H TYR 40 HN TYR 40 -8.498 -9.553 -3.302 295 HA TYR 40 HA TYR 40 -8.343 -10.445 -0.616 296 HB2 TYR 40 HB2 TYR 40 -10.068 -8.853 -1.649 297 HB3 TYR 40 HB1 TYR 40 -10.862 -10.294 -2.283 298 HD1 TYR 40 HD2 TYR 40 -11.946 -11.890 -0.749 299 HD2 TYR 40 HD1 TYR 40 -10.225 -8.269 0.696 300 HE1 TYR 40 HE2 TYR 40 -13.168 -12.157 1.371 301 HE2 TYR 40 HE1 TYR 40 -11.441 -8.536 2.818 302 HH TYR 40 HH TYR 40 -12.979 -11.434 3.707 303 H GLY 41 HN GLY 41 -8.061 -12.485 0.003 304 HA2 GLY 41 HA2 GLY 41 -8.637 -14.622 -1.905 305 HA3 GLY 41 HA1 GLY 41 -7.648 -14.757 -0.456 306 H GLY 42 HN GLY 42 -9.881 -13.332 1.033 307 HA2 GLY 42 HA2 GLY 42 -11.894 -13.939 2.063 308 HA3 GLY 42 HA1 GLY 42 -11.903 -15.427 1.119 309 H HIS 43 HN HIS 43 -12.544 -15.777 3.670 310 HA HIS 43 HA HIS 43 -12.025 -16.800 5.633 311 HB2 HIS 43 HB2 HIS 43 -11.316 -18.547 3.969 312 HB3 HIS 43 HB1 HIS 43 -9.675 -17.923 4.091 313 HD1 HIS 43 HD1 HIS 43 -8.325 -19.452 5.478 314 HD2 HIS 43 HD2 HIS 43 -12.211 -19.116 6.910 315 HE1 HIS 43 HE1 HIS 43 -8.407 -20.874 7.544 316 HE2 HIS 43 HE2 HIS 43 -10.806 -20.781 8.299 317 H GLY 44 HN GLY 44 -11.208 -14.203 5.544 318 HA2 GLY 44 HA2 GLY 44 -10.063 -12.842 7.023 319 HA3 GLY 44 HA1 GLY 44 -9.178 -14.250 7.581 320 H HIS 45 HN HIS 45 -9.354 -13.242 4.227 321 HA HIS 45 HA HIS 45 -6.569 -12.298 4.402 322 HB2 HIS 45 HB2 HIS 45 -7.722 -14.120 2.276 323 HB3 HIS 45 HB1 HIS 45 -6.156 -13.329 2.155 324 HD1 HIS 45 HD1 HIS 45 -7.719 -16.381 3.286 325 HD2 HIS 45 HD2 HIS 45 -4.336 -14.198 4.334 326 HE1 HIS 45 HE1 HIS 45 -6.253 -17.971 4.568 327 HE2 HIS 45 HE2 HIS 45 -4.258 -16.606 5.276 328 HA PRO 46 HA PRO 46 -8.993 -9.032 2.333 329 HB2 PRO 46 HB2 PRO 46 -7.292 -7.152 3.719 330 HB3 PRO 46 HB1 PRO 46 -9.018 -7.459 3.963 331 HG2 PRO 46 HG2 PRO 46 -7.077 -8.068 5.805 332 HG3 PRO 46 HG1 PRO 46 -8.637 -8.905 5.697 333 HD2 PRO 46 HD2 PRO 46 -5.958 -9.748 4.656 334 HD3 PRO 46 HD1 PRO 46 -7.218 -10.719 5.451 335 H THR 47 HN THR 47 -8.384 -7.405 0.810 336 HA THR 47 HA THR 47 -6.107 -7.956 -0.756 337 HB THR 47 HB THR 47 -7.853 -5.479 -0.752 338 HG1 THR 47 HG1 THR 47 -8.269 -7.315 -2.739 339 HG21 THR 47 HG21 THR 47 -6.120 -6.625 -2.953 340 HG22 THR 47 HG22 THR 47 -5.733 -5.194 -1.996 341 HG23 THR 47 HG23 THR 47 -7.135 -5.186 -3.065 342 H GLN 48 HN GLN 48 -4.178 -6.867 -0.981 343 HA GLN 48 HA GLN 48 -3.535 -4.566 0.625 344 HB2 GLN 48 HB2 GLN 48 -1.639 -5.699 1.811 345 HB3 GLN 48 HB1 GLN 48 -3.233 -6.196 2.358 346 HG2 GLN 48 HG2 GLN 48 -3.067 -8.242 1.078 347 HG3 GLN 48 HG1 GLN 48 -1.505 -7.736 0.437 348 HE21 GLN 48 HE21 GLN 48 -2.312 -10.073 2.072 349 HE22 GLN 48 HE22 GLN 48 -1.278 -10.040 3.456 350 H VAL 49 HN VAL 49 -1.457 -3.681 0.089 351 HA VAL 49 HA VAL 49 -0.370 -4.825 -2.392 352 HB VAL 49 HB VAL 49 -1.469 -2.712 -2.867 353 HG11 VAL 49 HG11 VAL 49 -0.644 -0.598 -1.913 354 HG12 VAL 49 HG12 VAL 49 0.393 -1.516 -0.820 355 HG13 VAL 49 HG13 VAL 49 -1.360 -1.654 -0.694 356 HG21 VAL 49 HG21 VAL 49 1.537 -2.465 -2.941 357 HG22 VAL 49 HG22 VAL 49 0.404 -1.522 -3.909 358 HG23 VAL 49 HG23 VAL 49 0.527 -3.266 -4.144 359 H ARG 50 HN ARG 50 1.570 -5.598 -2.218 360 HA ARG 50 HA ARG 50 3.305 -4.639 -0.061 361 HB2 ARG 50 HB2 ARG 50 4.619 -6.727 -0.516 362 HB3 ARG 50 HB1 ARG 50 2.976 -7.000 0.046 363 HG2 ARG 50 HG2 ARG 50 2.271 -7.441 -2.258 364 HG3 ARG 50 HG1 ARG 50 3.931 -7.191 -2.802 365 HD2 ARG 50 HD2 ARG 50 4.692 -9.074 -1.527 366 HD3 ARG 50 HD1 ARG 50 3.108 -9.265 -0.778 367 HE ARG 50 HE ARG 50 2.605 -9.500 -3.453 368 HH11 ARG 50 HH11 ARG 50 4.757 -11.118 -1.210 369 HH12 ARG 50 HH12 ARG 50 4.737 -12.619 -2.084 370 HH21 ARG 50 HH21 ARG 50 2.569 -11.459 -4.587 371 HH22 ARG 50 HH22 ARG 50 3.494 -12.813 -4.009 372 H ILE 51 HN ILE 51 5.294 -3.839 -0.396 373 HA ILE 51 HA ILE 51 6.070 -3.296 -3.184 374 HB ILE 51 HB ILE 51 7.057 -1.835 -0.725 375 HG12 ILE 51 HG12 ILE 51 4.832 -0.992 -2.597 376 HG13 ILE 51 HG11 ILE 51 4.591 -1.592 -0.959 377 HG21 ILE 51 HG21 ILE 51 7.071 -1.065 -3.644 378 HG22 ILE 51 HG22 ILE 51 8.450 -1.709 -2.754 379 HG23 ILE 51 HG23 ILE 51 7.771 -0.143 -2.312 380 HD11 ILE 51 HD11 ILE 51 6.019 0.932 -1.757 381 HD12 ILE 51 HD12 ILE 51 5.892 0.319 -0.109 382 HD13 ILE 51 HD13 ILE 51 4.440 0.806 -0.981 383 H VAL 52 HN VAL 52 7.739 -4.450 -3.884 384 HA VAL 52 HA VAL 52 9.659 -5.505 -1.917 385 HB VAL 52 HB VAL 52 8.669 -6.938 -4.397 386 HG11 VAL 52 HG11 VAL 52 10.983 -7.495 -3.786 387 HG12 VAL 52 HG12 VAL 52 9.890 -8.863 -3.580 388 HG13 VAL 52 HG13 VAL 52 10.435 -7.952 -2.173 389 HG21 VAL 52 HG21 VAL 52 8.025 -7.471 -1.497 390 HG22 VAL 52 HG22 VAL 52 7.539 -8.478 -2.862 391 HG23 VAL 52 HG23 VAL 52 6.917 -6.834 -2.712 392 H ALA 53 HN ALA 53 11.798 -5.432 -2.469 393 HA ALA 53 HA ALA 53 12.475 -4.043 -4.966 394 HB1 ALA 53 HB1 ALA 53 14.649 -3.612 -3.929 395 HB2 ALA 53 HB2 ALA 53 14.172 -4.555 -2.518 396 HB3 ALA 53 HB3 ALA 53 13.335 -3.050 -2.896 397 HA PRO 54 HA PRO 54 13.554 -8.295 -6.104 398 HB2 PRO 54 HB2 PRO 54 13.372 -7.992 -8.775 399 HB3 PRO 54 HB1 PRO 54 11.935 -8.098 -7.743 400 HG2 PRO 54 HG2 PRO 54 13.247 -5.685 -8.930 401 HG3 PRO 54 HG1 PRO 54 11.521 -6.066 -8.794 402 HD2 PRO 54 HD2 PRO 54 12.867 -4.386 -7.085 403 HD3 PRO 54 HD1 PRO 54 11.401 -5.282 -6.643 404 H HIS 55 HN HIS 55 15.291 -5.472 -6.421 405 HA HIS 55 HA HIS 55 17.673 -6.958 -7.205 406 HB2 HIS 55 HB2 HIS 55 16.757 -5.846 -9.263 407 HB3 HIS 55 HB1 HIS 55 16.968 -4.294 -8.460 408 HD1 HIS 55 HD1 HIS 55 19.359 -3.356 -8.303 409 HD2 HIS 55 HD2 HIS 55 19.134 -7.085 -10.128 410 HE1 HIS 55 HE1 HIS 55 21.607 -3.737 -9.357 411 HE2 HIS 55 HE2 HIS 55 21.504 -6.066 -10.293 412 H ALA 56 HN ALA 56 19.286 -6.525 -5.839 413 HA ALA 56 HA ALA 56 18.952 -4.556 -3.784 414 HB1 ALA 56 HB1 ALA 56 21.304 -6.342 -4.398 415 HB2 ALA 56 HB2 ALA 56 19.977 -6.715 -3.299 416 HB3 ALA 56 HB3 ALA 56 21.083 -5.393 -2.930 417 H GLU 57 HN GLU 57 19.993 -2.630 -3.534 418 HA GLU 57 HA GLU 57 21.264 -1.557 -5.914 419 HB2 GLU 57 HB2 GLU 57 19.440 -0.349 -4.616 420 HB3 GLU 57 HB1 GLU 57 20.632 -0.094 -3.350 421 HG2 GLU 57 HG2 GLU 57 22.026 1.170 -4.872 422 HG3 GLU 57 HG1 GLU 57 20.899 0.864 -6.192 423 H HIS 58 HN HIS 58 23.136 0.031 -5.410 424 HA HIS 58 HA HIS 58 25.252 -1.602 -4.357 425 HB2 HIS 58 HB2 HIS 58 26.725 0.277 -5.138 426 HB3 HIS 58 HB1 HIS 58 25.717 -0.436 -6.387 427 HD1 HIS 58 HD1 HIS 58 24.105 1.093 -7.600 428 HD2 HIS 58 HD2 HIS 58 25.930 2.916 -4.338 429 HE1 HIS 58 HE1 HIS 58 23.503 3.528 -7.758 430 HE2 HIS 58 HE2 HIS 58 24.564 4.602 -5.745 431 H VAL 59 HN VAL 59 23.323 -0.525 -2.421 432 HA VAL 59 HA VAL 59 25.297 0.657 -0.595 433 HB VAL 59 HB VAL 59 22.373 1.440 -0.648 434 HG11 VAL 59 HG11 VAL 59 23.338 1.490 1.583 435 HG12 VAL 59 HG12 VAL 59 23.048 3.132 1.004 436 HG13 VAL 59 HG13 VAL 59 24.683 2.469 0.999 437 HG21 VAL 59 HG21 VAL 59 24.796 3.011 -1.518 438 HG22 VAL 59 HG22 VAL 59 23.158 3.651 -1.382 439 HG23 VAL 59 HG23 VAL 59 23.518 2.395 -2.566 440 H ARG 60 HN ARG 60 25.623 -1.477 0.142 441 HA ARG 60 HA ARG 60 23.322 -2.930 1.178 442 HB2 ARG 60 HB2 ARG 60 24.921 -4.806 1.475 443 HB3 ARG 60 HB1 ARG 60 24.847 -4.223 -0.182 444 HG2 ARG 60 HG2 ARG 60 26.923 -2.960 0.189 445 HG3 ARG 60 HG1 ARG 60 27.000 -3.605 1.830 446 HD2 ARG 60 HD2 ARG 60 27.116 -5.878 0.933 447 HD3 ARG 60 HD1 ARG 60 27.024 -5.239 -0.704 448 HE ARG 60 HE ARG 60 29.225 -4.267 0.917 449 HH11 ARG 60 HH11 ARG 60 28.108 -6.563 -1.475 450 HH12 ARG 60 HH12 ARG 60 29.700 -6.951 -2.039 451 HH21 ARG 60 HH21 ARG 60 31.336 -4.772 0.173 452 HH22 ARG 60 HH22 ARG 60 31.537 -5.927 -1.107 453 H GLY 61 HN GLY 61 23.723 -0.699 2.626 454 HA2 GLY 61 HA2 GLY 61 25.346 -0.973 4.913 455 HA3 GLY 61 HA1 GLY 61 23.875 -0.007 4.819 456 H TYR 62 HN TYR 62 21.851 -1.568 4.596 457 HA TYR 62 HA TYR 62 22.072 -3.510 6.793 458 HB2 TYR 62 HB2 TYR 62 19.582 -2.264 5.580 459 HB3 TYR 62 HB1 TYR 62 19.615 -3.364 6.957 460 HD1 TYR 62 HD2 TYR 62 21.056 -2.569 8.999 461 HD2 TYR 62 HD1 TYR 62 19.595 0.033 5.961 462 HE1 TYR 62 HE2 TYR 62 21.301 -0.655 10.523 463 HE2 TYR 62 HE1 TYR 62 19.841 1.949 7.481 464 HH TYR 62 HH TYR 62 21.566 1.762 10.410 465 H ALA 63 HN ALA 63 21.656 -5.642 6.453 466 HA ALA 63 HA ALA 63 21.622 -6.520 3.696 467 HB1 ALA 63 HB1 ALA 63 22.000 -8.751 4.625 468 HB2 ALA 63 HB2 ALA 63 21.769 -8.114 6.254 469 HB3 ALA 63 HB3 ALA 63 23.140 -7.578 5.283 470 H HIS 64 HN HIS 64 19.277 -5.273 4.182 471 HA HIS 64 HA HIS 64 17.368 -7.481 4.011 472 HB2 HIS 64 HB2 HIS 64 16.947 -5.039 5.755 473 HB3 HIS 64 HB1 HIS 64 15.729 -6.265 5.410 474 HD1 HIS 64 HD1 HIS 64 16.075 -8.617 6.538 475 HD2 HIS 64 HD2 HIS 64 18.758 -5.681 7.743 476 HE1 HIS 64 HE1 HIS 64 17.151 -9.503 8.629 477 HE2 HIS 64 HE2 HIS 64 18.643 -7.638 9.430 478 HA PRO 65 HA PRO 65 16.378 -4.772 0.521 479 HB2 PRO 65 HB2 PRO 65 14.700 -6.566 -0.662 480 HB3 PRO 65 HB1 PRO 65 16.455 -6.612 -0.856 481 HG2 PRO 65 HG2 PRO 65 14.702 -8.231 0.943 482 HG3 PRO 65 HG1 PRO 65 16.105 -8.741 -0.014 483 HD2 PRO 65 HD2 PRO 65 16.241 -8.270 2.648 484 HD3 PRO 65 HD1 PRO 65 17.609 -7.983 1.556 485 H LEU 66 HN LEU 66 14.550 -3.534 0.067 486 HA LEU 66 HA LEU 66 12.737 -3.128 2.161 487 HB2 LEU 66 HB2 LEU 66 13.438 -1.492 0.362 488 HB3 LEU 66 HB1 LEU 66 12.319 -2.305 -0.710 489 HG LEU 66 HG LEU 66 11.357 -1.139 1.888 490 HD11 LEU 66 HD11 LEU 66 12.553 0.655 0.775 491 HD12 LEU 66 HD12 LEU 66 10.813 0.922 0.672 492 HD13 LEU 66 HD13 LEU 66 11.697 0.318 -0.730 493 HD21 LEU 66 HD21 LEU 66 10.032 -1.601 -0.784 494 HD22 LEU 66 HD22 LEU 66 9.256 -0.947 0.657 495 HD23 LEU 66 HD23 LEU 66 9.843 -2.611 0.649 496 H ASN 67 HN ASN 67 11.044 -4.229 2.758 497 HA ASN 67 HA ASN 67 9.360 -5.580 0.781 498 HB2 ASN 67 HB2 ASN 67 11.023 -7.261 1.649 499 HB3 ASN 67 HB1 ASN 67 10.380 -6.987 3.269 500 HD21 ASN 67 HD21 ASN 67 8.212 -7.602 3.703 501 HD22 ASN 67 HD22 ASN 67 7.432 -8.824 2.757 502 H LEU 68 HN LEU 68 7.820 -4.028 1.207 503 HA LEU 68 HA LEU 68 6.845 -3.835 3.980 504 HB2 LEU 68 HB2 LEU 68 7.696 -1.730 3.170 505 HB3 LEU 68 HB1 LEU 68 6.764 -1.866 1.692 506 HG LEU 68 HG LEU 68 4.682 -1.684 3.084 507 HD11 LEU 68 HD11 LEU 68 6.662 -0.979 5.239 508 HD12 LEU 68 HD12 LEU 68 5.563 -2.358 5.229 509 HD13 LEU 68 HD13 LEU 68 4.920 -0.720 5.331 510 HD21 LEU 68 HD21 LEU 68 4.913 0.748 3.424 511 HD22 LEU 68 HD22 LEU 68 5.516 0.214 1.856 512 HD23 LEU 68 HD23 LEU 68 6.649 0.597 3.152 513 H ALA 69 HN ALA 69 4.823 -4.404 4.425 514 HA ALA 69 HA ALA 69 2.948 -4.801 2.182 515 HB1 ALA 69 HB1 ALA 69 3.479 -6.849 3.467 516 HB2 ALA 69 HB2 ALA 69 1.772 -6.412 3.549 517 HB3 ALA 69 HB3 ALA 69 2.835 -6.075 4.915 518 H LEU 70 HN LEU 70 0.937 -3.858 2.283 519 HA LEU 70 HA LEU 70 0.554 -1.925 4.469 520 HB2 LEU 70 HB2 LEU 70 0.083 -1.531 1.512 521 HB3 LEU 70 HB1 LEU 70 -0.466 -0.412 2.746 522 HG LEU 70 HG LEU 70 2.431 -1.100 2.219 523 HD11 LEU 70 HD11 LEU 70 2.589 1.089 1.204 524 HD12 LEU 70 HD12 LEU 70 0.865 1.356 1.459 525 HD13 LEU 70 HD13 LEU 70 1.409 0.099 0.348 526 HD21 LEU 70 HD21 LEU 70 2.838 0.907 3.614 527 HD22 LEU 70 HD22 LEU 70 2.087 -0.419 4.502 528 HD23 LEU 70 HD23 LEU 70 1.116 0.958 3.983 529 H THR 71 HN THR 71 -1.284 -2.257 5.537 530 HA THR 71 HA THR 71 -3.603 -3.240 4.025 531 HB THR 71 HB THR 71 -4.337 -4.417 6.131 532 HG1 THR 71 HG1 THR 71 -1.726 -3.625 6.918 533 HG21 THR 71 HG21 THR 71 -3.394 -5.739 4.341 534 HG22 THR 71 HG22 THR 71 -2.788 -6.348 5.881 535 HG23 THR 71 HG23 THR 71 -1.756 -5.345 4.864 536 H TRP 72 HN TRP 72 -5.638 -2.422 4.784 537 HA TRP 72 HA TRP 72 -5.379 -0.044 6.494 538 HB2 TRP 72 HB2 TRP 72 -6.830 -0.282 3.853 539 HB3 TRP 72 HB1 TRP 72 -7.103 1.042 4.986 540 HD1 TRP 72 HD1 TRP 72 -5.164 2.864 5.239 541 HE1 TRP 72 HE1 TRP 72 -3.171 3.480 3.729 542 HE3 TRP 72 HE3 TRP 72 -5.090 -1.286 2.250 543 HZ2 TRP 72 HZ2 TRP 72 -1.764 2.362 1.564 544 HZ3 TRP 72 HZ3 TRP 72 -3.386 -1.429 0.479 545 HH2 TRP 72 HH2 TRP 72 -1.759 0.361 0.151 546 H ASN 73 HN ASN 73 -7.180 0.572 7.657 547 HA ASN 73 HA ASN 73 -8.692 -1.501 8.778 548 HB2 ASN 73 HB2 ASN 73 -8.998 1.502 8.885 549 HB3 ASN 73 HB1 ASN 73 -9.987 0.400 9.842 550 HD21 ASN 73 HD21 ASN 73 -7.946 2.462 10.590 551 HD22 ASN 73 HD22 ASN 73 -6.823 1.615 11.605 552 H THR 74 HN THR 74 -10.653 -2.291 8.402 553 HA THR 74 HA THR 74 -11.685 -2.148 5.809 554 HB THR 74 HB THR 74 -13.111 -3.196 8.260 555 HG1 THR 74 HG1 THR 74 -12.053 -5.215 7.458 556 HG21 THR 74 HG21 THR 74 -14.186 -4.728 6.690 557 HG22 THR 74 HG22 THR 74 -13.302 -4.001 5.349 558 HG23 THR 74 HG23 THR 74 -14.503 -3.056 6.229 559 H ASP 75 HN ASP 75 -12.543 -0.368 8.702 560 HA ASP 75 HA ASP 75 -15.037 0.652 7.936 561 HB2 ASP 75 HB2 ASP 75 -12.834 1.986 9.529 562 HB3 ASP 75 HB1 ASP 75 -14.468 2.619 9.380 563 H GLU 76 HN GLU 76 -11.811 1.948 7.440 564 HA GLU 76 HA GLU 76 -12.410 4.139 5.852 565 HB2 GLU 76 HB2 GLU 76 -10.000 2.357 5.493 566 HB3 GLU 76 HB1 GLU 76 -10.129 4.070 5.118 567 HG2 GLU 76 HG2 GLU 76 -10.273 2.881 7.873 568 HG3 GLU 76 HG1 GLU 76 -8.859 3.647 7.160 569 H ILE 77 HN ILE 77 -11.705 0.798 4.871 570 HA ILE 77 HA ILE 77 -11.895 1.103 2.118 571 HB ILE 77 HB ILE 77 -12.708 -1.298 3.766 572 HG12 ILE 77 HG12 ILE 77 -10.053 -0.585 2.484 573 HG13 ILE 77 HG11 ILE 77 -10.399 -0.580 4.213 574 HG21 ILE 77 HG21 ILE 77 -12.249 -2.599 1.729 575 HG22 ILE 77 HG22 ILE 77 -11.973 -1.098 0.846 576 HG23 ILE 77 HG23 ILE 77 -13.572 -1.455 1.499 577 HD11 ILE 77 HD11 ILE 77 -9.150 -2.563 3.541 578 HD12 ILE 77 HD12 ILE 77 -10.440 -3.003 2.422 579 HD13 ILE 77 HD13 ILE 77 -10.745 -2.990 4.157 580 H GLU 78 HN GLU 78 -14.473 0.438 4.462 581 HA GLU 78 HA GLU 78 -16.551 0.134 2.573 582 HB2 GLU 78 HB2 GLU 78 -16.657 0.985 5.472 583 HB3 GLU 78 HB1 GLU 78 -18.060 0.534 4.512 584 HG2 GLU 78 HG2 GLU 78 -17.212 -1.708 4.251 585 HG3 GLU 78 HG1 GLU 78 -15.724 -1.275 5.089 586 H ARG 79 HN ARG 79 -15.275 2.927 4.291 587 HA ARG 79 HA ARG 79 -17.261 4.758 3.468 588 HB2 ARG 79 HB2 ARG 79 -15.652 5.066 5.381 589 HB3 ARG 79 HB1 ARG 79 -14.395 5.384 4.196 590 HG2 ARG 79 HG2 ARG 79 -15.577 7.341 3.410 591 HG3 ARG 79 HG1 ARG 79 -16.918 7.002 4.506 592 HD2 ARG 79 HD2 ARG 79 -15.590 8.691 5.522 593 HD3 ARG 79 HD1 ARG 79 -15.295 7.197 6.405 594 HE ARG 79 HE ARG 79 -13.444 8.403 4.451 595 HH11 ARG 79 HH11 ARG 79 -14.049 6.355 7.229 596 HH12 ARG 79 HH12 ARG 79 -12.365 6.114 7.586 597 HH21 ARG 79 HH21 ARG 79 -11.208 8.100 4.944 598 HH22 ARG 79 HH22 ARG 79 -10.760 7.093 6.295 599 H LEU 80 HN LEU 80 -14.379 3.533 1.939 600 HA LEU 80 HA LEU 80 -14.002 5.603 0.050 601 HB2 LEU 80 HB2 LEU 80 -13.260 2.683 -0.121 602 HB3 LEU 80 HB1 LEU 80 -12.710 3.917 -1.235 603 HG LEU 80 HG LEU 80 -12.037 3.690 1.698 604 HD11 LEU 80 HD11 LEU 80 -9.748 3.433 0.856 605 HD12 LEU 80 HD12 LEU 80 -10.358 3.483 -0.797 606 HD13 LEU 80 HD13 LEU 80 -10.815 2.157 0.272 607 HD21 LEU 80 HD21 LEU 80 -10.557 5.649 1.283 608 HD22 LEU 80 HD22 LEU 80 -12.276 6.030 1.221 609 HD23 LEU 80 HD23 LEU 80 -11.356 5.868 -0.274 610 H MET 81 HN MET 81 -16.259 2.994 0.205 611 HA MET 81 HA MET 81 -16.811 2.716 -2.555 612 HB2 MET 81 HB2 MET 81 -18.593 2.170 -0.173 613 HB3 MET 81 HB1 MET 81 -18.900 1.619 -1.812 614 HG2 MET 81 HG2 MET 81 -16.883 0.259 -1.752 615 HG3 MET 81 HG1 MET 81 -16.531 0.848 -0.123 616 HE1 MET 81 HE1 MET 81 -20.071 -0.114 -1.618 617 HE2 MET 81 HE2 MET 81 -20.157 -1.819 -1.179 618 HE3 MET 81 HE3 MET 81 -18.963 -1.270 -2.355 619 H GLU 82 HN GLU 82 -17.547 5.205 -0.369 620 HA GLU 82 HA GLU 82 -19.935 6.045 -1.814 621 HB2 GLU 82 HB2 GLU 82 -18.588 7.240 0.620 622 HB3 GLU 82 HB1 GLU 82 -20.138 7.744 -0.041 623 HG2 GLU 82 HG2 GLU 82 -19.536 5.010 1.055 624 HG3 GLU 82 HG1 GLU 82 -20.339 6.300 1.937 625 H ALA 83 HN ALA 83 -20.090 8.407 -2.447 626 HA ALA 83 HA ALA 83 -18.115 9.000 -4.327 627 HB1 ALA 83 HB1 ALA 83 -20.410 9.830 -4.477 628 HB2 ALA 83 HB2 ALA 83 -19.236 11.138 -4.622 629 HB3 ALA 83 HB3 ALA 83 -20.112 10.902 -3.110 630 H ASP 84 HN ASP 84 -18.679 10.535 -1.154 631 HA ASP 84 HA ASP 84 -16.467 12.301 -1.318 632 HB2 ASP 84 HB2 ASP 84 -18.385 12.601 0.266 633 HB3 ASP 84 HB1 ASP 84 -17.791 11.223 1.187 634 H GLY 85 HN GLY 85 -16.745 8.969 -0.683 635 HA2 GLY 85 HA2 GLY 85 -14.344 8.649 0.847 636 HA3 GLY 85 HA1 GLY 85 -15.269 7.372 0.056 637 H ALA 86 HN ALA 86 -15.220 8.040 -2.566 638 HA ALA 86 HA ALA 86 -12.698 7.430 -3.518 639 HB1 ALA 86 HB1 ALA 86 -14.739 7.184 -4.835 640 HB2 ALA 86 HB2 ALA 86 -13.526 8.119 -5.709 641 HB3 ALA 86 HB3 ALA 86 -14.886 8.937 -4.942 642 H ALA 87 HN ALA 87 -14.208 10.591 -3.032 643 HA ALA 87 HA ALA 87 -12.107 12.143 -4.118 644 HB1 ALA 87 HB1 ALA 87 -14.349 13.049 -3.735 645 HB2 ALA 87 HB2 ALA 87 -13.122 14.019 -2.921 646 HB3 ALA 87 HB3 ALA 87 -14.116 12.896 -1.993 647 H ARG 88 HN ARG 88 -12.675 10.727 -0.978 648 HA ARG 88 HA ARG 88 -10.587 12.056 0.415 649 HB2 ARG 88 HB2 ARG 88 -12.586 10.692 1.341 650 HB3 ARG 88 HB1 ARG 88 -11.575 9.283 1.055 651 HG2 ARG 88 HG2 ARG 88 -11.390 9.958 3.355 652 HG3 ARG 88 HG1 ARG 88 -9.855 10.256 2.531 653 HD2 ARG 88 HD2 ARG 88 -10.612 12.104 4.043 654 HD3 ARG 88 HD1 ARG 88 -10.303 12.590 2.379 655 HE ARG 88 HE ARG 88 -13.042 11.897 2.830 656 HH11 ARG 88 HH11 ARG 88 -10.677 14.460 3.210 657 HH12 ARG 88 HH12 ARG 88 -11.866 15.728 3.104 658 HH21 ARG 88 HH21 ARG 88 -14.600 13.558 2.670 659 HH22 ARG 88 HH22 ARG 88 -14.091 15.217 2.805 660 H PHE 89 HN PHE 89 -10.823 9.069 -1.419 661 HA PHE 89 HA PHE 89 -8.253 8.053 -0.952 662 HB2 PHE 89 HB2 PHE 89 -10.072 6.757 -2.016 663 HB3 PHE 89 HB1 PHE 89 -9.967 7.791 -3.438 664 HD1 PHE 89 HD2 PHE 89 -7.894 5.510 -1.350 665 HD2 PHE 89 HD1 PHE 89 -8.628 7.148 -5.211 666 HE1 PHE 89 HE2 PHE 89 -6.214 4.004 -2.307 667 HE2 PHE 89 HE1 PHE 89 -6.949 5.638 -6.172 668 HZ PHE 89 HZ PHE 89 -5.737 4.062 -4.721 669 H GLU 90 HN GLU 90 -9.470 10.414 -3.250 670 HA GLU 90 HA GLU 90 -7.174 10.650 -4.853 671 HB2 GLU 90 HB2 GLU 90 -9.389 11.536 -5.480 672 HB3 GLU 90 HB1 GLU 90 -9.283 12.714 -4.180 673 HG2 GLU 90 HG2 GLU 90 -7.240 13.632 -5.306 674 HG3 GLU 90 HG1 GLU 90 -7.608 12.574 -6.669 675 H ARG 91 HN ARG 91 -8.202 12.281 -1.894 676 HA ARG 91 HA ARG 91 -5.999 14.095 -1.849 677 HB2 ARG 91 HB2 ARG 91 -8.256 14.413 -0.720 678 HB3 ARG 91 HB1 ARG 91 -7.707 13.277 0.502 679 HG2 ARG 91 HG2 ARG 91 -7.420 15.579 1.236 680 HG3 ARG 91 HG1 ARG 91 -5.861 14.767 1.073 681 HD2 ARG 91 HD2 ARG 91 -5.875 17.079 0.164 682 HD3 ARG 91 HD1 ARG 91 -5.451 15.856 -1.032 683 HE ARG 91 HE ARG 91 -8.239 16.706 -0.904 684 HH11 ARG 91 HH11 ARG 91 -5.143 16.929 -2.535 685 HH12 ARG 91 HH12 ARG 91 -5.826 17.527 -4.012 686 HH21 ARG 91 HH21 ARG 91 -9.132 17.502 -2.846 687 HH22 ARG 91 HH22 ARG 91 -8.087 17.861 -4.185 688 H TYR 92 HN TYR 92 -6.564 10.860 -0.759 689 HA TYR 92 HA TYR 92 -4.399 10.687 1.086 690 HB2 TYR 92 HB2 TYR 92 -6.275 9.088 1.122 691 HB3 TYR 92 HB1 TYR 92 -5.818 8.511 -0.474 692 HD1 TYR 92 HD1 TYR 92 -4.769 8.640 3.070 693 HD2 TYR 92 HD2 TYR 92 -4.103 6.883 -0.750 694 HE1 TYR 92 HE1 TYR 92 -3.299 6.964 4.105 695 HE2 TYR 92 HE2 TYR 92 -2.634 5.198 0.278 696 HH TYR 92 HH TYR 92 -2.449 4.724 3.648 697 H LEU 93 HN LEU 93 -4.795 10.166 -2.362 698 HA LEU 93 HA LEU 93 -2.306 8.963 -2.890 699 HB2 LEU 93 HB2 LEU 93 -3.962 10.742 -4.689 700 HB3 LEU 93 HB1 LEU 93 -2.655 9.697 -5.216 701 HG LEU 93 HG LEU 93 -5.244 8.744 -3.982 702 HD11 LEU 93 HD11 LEU 93 -5.760 7.941 -6.238 703 HD12 LEU 93 HD12 LEU 93 -4.300 8.729 -6.841 704 HD13 LEU 93 HD13 LEU 93 -5.616 9.697 -6.176 705 HD21 LEU 93 HD21 LEU 93 -2.928 7.243 -5.198 706 HD22 LEU 93 HD22 LEU 93 -4.482 6.529 -4.774 707 HD23 LEU 93 HD23 LEU 93 -3.451 7.201 -3.514 708 H ALA 94 HN ALA 94 -3.327 12.321 -2.706 709 HA ALA 94 HA ALA 94 -0.857 13.446 -3.523 710 HB1 ALA 94 HB1 ALA 94 -1.748 15.539 -2.656 711 HB2 ALA 94 HB2 ALA 94 -3.040 14.662 -1.836 712 HB3 ALA 94 HB3 ALA 94 -2.968 14.682 -3.598 713 H ALA 95 HN ALA 95 -1.869 11.965 -0.622 714 HA ALA 95 HA ALA 95 0.177 13.336 0.961 715 HB1 ALA 95 HB1 ALA 95 -2.041 11.490 1.820 716 HB2 ALA 95 HB2 ALA 95 -2.041 13.250 1.938 717 HB3 ALA 95 HB3 ALA 95 -0.908 12.300 2.900 718 H LEU 96 HN LEU 96 -0.039 10.679 -0.962 719 HA LEU 96 HA LEU 96 1.147 8.606 0.430 720 HB2 LEU 96 HB2 LEU 96 1.395 9.402 -2.457 721 HB3 LEU 96 HB1 LEU 96 2.170 7.968 -1.819 722 HG LEU 96 HG LEU 96 -0.799 8.465 -1.691 723 HD11 LEU 96 HD11 LEU 96 0.772 6.765 -3.624 724 HD12 LEU 96 HD12 LEU 96 -0.027 8.289 -4.011 725 HD13 LEU 96 HD13 LEU 96 -0.985 6.888 -3.532 726 HD21 LEU 96 HD21 LEU 96 0.891 6.024 -1.166 727 HD22 LEU 96 HD22 LEU 96 -0.870 6.030 -1.249 728 HD23 LEU 96 HD23 LEU 96 -0.046 6.937 0.017 729 HA PRO 97 HA PRO 97 5.572 10.466 -0.736 730 HB2 PRO 97 HB2 PRO 97 5.459 13.247 -0.628 731 HB3 PRO 97 HB1 PRO 97 5.597 12.284 -2.102 732 HG2 PRO 97 HG2 PRO 97 3.165 13.489 -0.843 733 HG3 PRO 97 HG1 PRO 97 3.601 13.376 -2.559 734 HD2 PRO 97 HD2 PRO 97 1.795 11.731 -1.507 735 HD3 PRO 97 HD1 PRO 97 2.975 11.137 -2.695 736 H ARG 98 HN ARG 98 3.167 12.019 1.293 737 HA ARG 98 HA ARG 98 5.059 12.746 3.341 738 HB2 ARG 98 HB2 ARG 98 2.935 14.005 2.939 739 HB3 ARG 98 HB1 ARG 98 2.048 12.617 3.558 740 HG2 ARG 98 HG2 ARG 98 3.208 12.849 5.707 741 HG3 ARG 98 HG1 ARG 98 4.053 14.265 5.083 742 HD2 ARG 98 HD2 ARG 98 1.850 15.342 4.705 743 HD3 ARG 98 HD1 ARG 98 1.087 13.954 5.479 744 HE ARG 98 HE ARG 98 3.067 15.018 7.176 745 HH11 ARG 98 HH11 ARG 98 -0.150 15.697 5.981 746 HH12 ARG 98 HH12 ARG 98 -0.581 16.695 7.331 747 HH21 ARG 98 HH21 ARG 98 2.512 16.309 8.958 748 HH22 ARG 98 HH22 ARG 98 0.941 17.039 9.037 749 H LYS 99 HN LYS 99 2.867 10.104 2.687 750 HA LYS 99 HA LYS 99 3.073 8.826 5.208 751 HB2 LYS 99 HB2 LYS 99 2.191 8.010 2.475 752 HB3 LYS 99 HB1 LYS 99 2.497 6.758 3.667 753 HG2 LYS 99 HG2 LYS 99 0.641 9.076 4.137 754 HG3 LYS 99 HG1 LYS 99 0.119 7.515 3.497 755 HD2 LYS 99 HD2 LYS 99 0.964 6.411 5.514 756 HD3 LYS 99 HD1 LYS 99 1.487 7.970 6.152 757 HE2 LYS 99 HE2 LYS 99 -1.364 7.294 5.450 758 HE3 LYS 99 HE1 LYS 99 -0.684 7.151 7.070 759 HZ1 LYS 99 HZ1 LYS 99 -1.845 9.233 6.815 760 HZ2 LYS 99 HZ2 LYS 99 -0.896 9.648 5.481 761 HZ3 LYS 99 HZ3 LYS 99 -0.192 9.528 7.013 762 H LEU 100 HN LEU 100 4.804 8.442 2.146 763 HA LEU 100 HA LEU 100 6.534 6.399 2.897 764 HB2 LEU 100 HB2 LEU 100 6.641 8.597 0.904 765 HB3 LEU 100 HB1 LEU 100 8.152 7.802 1.290 766 HG LEU 100 HG LEU 100 7.170 5.636 0.617 767 HD11 LEU 100 HD11 LEU 100 5.054 5.565 -0.573 768 HD12 LEU 100 HD12 LEU 100 4.797 7.279 -0.245 769 HD13 LEU 100 HD13 LEU 100 4.825 6.120 1.084 770 HD21 LEU 100 HD21 LEU 100 7.128 6.081 -1.784 771 HD22 LEU 100 HD22 LEU 100 8.442 6.945 -0.986 772 HD23 LEU 100 HD23 LEU 100 6.979 7.807 -1.461 773 H ALA 101 HN ALA 101 6.904 9.908 3.245 774 HA ALA 101 HA ALA 101 9.463 9.934 4.351 775 HB1 ALA 101 HB1 ALA 101 8.282 11.934 3.544 776 HB2 ALA 101 HB2 ALA 101 8.912 12.150 5.178 777 HB3 ALA 101 HB3 ALA 101 7.195 11.835 4.930 778 H ALA 102 HN ALA 102 6.301 9.642 5.904 779 HA ALA 102 HA ALA 102 7.227 9.734 8.564 780 HB1 ALA 102 HB1 ALA 102 5.021 8.801 9.135 781 HB2 ALA 102 HB2 ALA 102 4.723 8.499 7.423 782 HB3 ALA 102 HB3 ALA 102 4.907 10.151 8.008 783 H TRP 103 HN TRP 103 6.543 7.027 6.375 784 HA TRP 103 HA TRP 103 7.025 5.004 8.295 785 HB2 TRP 103 HB2 TRP 103 7.087 4.900 5.269 786 HB3 TRP 103 HB1 TRP 103 7.201 3.479 6.307 787 HD1 TRP 103 HD1 TRP 103 4.886 4.561 8.395 788 HE1 TRP 103 HE1 TRP 103 2.432 4.366 7.650 789 HE3 TRP 103 HE3 TRP 103 5.610 4.136 3.353 790 HZ2 TRP 103 HZ2 TRP 103 0.999 4.065 5.237 791 HZ3 TRP 103 HZ3 TRP 103 3.641 3.890 1.899 792 HH2 TRP 103 HH2 TRP 103 1.385 3.857 2.823 793 H GLU 104 HN GLU 104 9.123 6.771 6.116 794 HA GLU 104 HA GLU 104 11.383 5.103 6.322 795 HB2 GLU 104 HB2 GLU 104 11.273 8.100 5.925 796 HB3 GLU 104 HB1 GLU 104 12.693 7.100 5.679 797 HG2 GLU 104 HG2 GLU 104 11.386 5.842 3.945 798 HG3 GLU 104 HG1 GLU 104 10.137 7.080 4.105 799 H ASN 105 HN ASN 105 10.485 8.012 8.115 800 HA ASN 105 HA ASN 105 12.667 7.918 9.902 801 HB2 ASN 105 HB2 ASN 105 11.366 9.963 9.448 802 HB3 ASN 105 HB1 ASN 105 9.976 9.252 10.262 803 HD21 ASN 105 HD21 ASN 105 13.317 8.935 11.323 804 HD22 ASN 105 HD22 ASN 105 13.125 9.849 12.778 805 H ALA 106 HN ALA 106 9.377 6.648 10.126 806 HA ALA 106 HA ALA 106 9.691 6.057 12.935 807 HB1 ALA 106 HB1 ALA 106 7.409 5.373 11.093 808 HB2 ALA 106 HB2 ALA 106 7.554 6.859 12.033 809 HB3 ALA 106 HB3 ALA 106 7.394 5.308 12.855 810 H ARG 107 HN ARG 107 9.560 4.152 9.927 811 HA ARG 107 HA ARG 107 9.599 1.730 11.585 812 HB2 ARG 107 HB2 ARG 107 8.915 2.062 8.665 813 HB3 ARG 107 HB1 ARG 107 8.904 0.533 9.530 814 HG2 ARG 107 HG2 ARG 107 7.122 2.912 10.027 815 HG3 ARG 107 HG1 ARG 107 6.658 1.354 9.343 816 HD2 ARG 107 HD2 ARG 107 7.553 1.926 12.168 817 HD3 ARG 107 HD1 ARG 107 5.959 1.397 11.640 818 HE ARG 107 HE ARG 107 8.106 -0.422 10.985 819 HH11 ARG 107 HH11 ARG 107 5.694 0.474 13.368 820 HH12 ARG 107 HH12 ARG 107 5.729 -1.074 14.154 821 HH21 ARG 107 HH21 ARG 107 8.150 -2.438 12.024 822 HH22 ARG 107 HH22 ARG 107 7.118 -2.725 13.389 823 H GLY 108 HN GLY 108 11.827 3.594 10.020 824 HA2 GLY 108 HA2 GLY 108 14.069 3.172 9.606 825 HA3 GLY 108 HA1 GLY 108 13.809 1.530 10.189 826 H VAL 109 HN VAL 109 12.409 3.346 7.515 827 HA VAL 109 HA VAL 109 13.276 1.216 5.670 828 HB VAL 109 HB VAL 109 10.635 2.707 5.648 829 HG11 VAL 109 HG11 VAL 109 11.444 2.346 3.374 830 HG12 VAL 109 HG12 VAL 109 10.038 1.340 3.718 831 HG13 VAL 109 HG13 VAL 109 11.650 0.628 3.715 832 HG21 VAL 109 HG21 VAL 109 10.716 0.924 7.316 833 HG22 VAL 109 HG22 VAL 109 11.220 -0.221 6.073 834 HG23 VAL 109 HG23 VAL 109 9.620 0.513 5.997 835 H ASP 110 HN ASP 110 14.162 1.941 3.721 836 HA ASP 110 HA ASP 110 14.133 4.862 3.343 837 HB2 ASP 110 HB2 ASP 110 16.339 4.158 4.215 838 HB3 ASP 110 HB1 ASP 110 16.516 3.059 2.844 839 H PHE 111 HN PHE 111 12.973 5.246 1.599 840 HA PHE 111 HA PHE 111 12.627 3.256 -0.445 841 HB2 PHE 111 HB2 PHE 111 11.608 6.080 -0.157 842 HB3 PHE 111 HB1 PHE 111 11.233 5.064 -1.542 843 HD1 PHE 111 HD2 PHE 111 10.709 5.564 2.049 844 HD2 PHE 111 HD1 PHE 111 9.696 3.224 -1.355 845 HE1 PHE 111 HE2 PHE 111 8.824 4.590 3.285 846 HE2 PHE 111 HE1 PHE 111 7.806 2.244 -0.125 847 HZ PHE 111 HZ PHE 111 7.370 2.914 2.198 848 H GLY 112 HN GLY 112 14.938 5.625 0.110 849 HA2 GLY 112 HA2 GLY 112 15.469 6.408 -2.576 850 HA3 GLY 112 HA1 GLY 112 16.558 6.586 -1.208 851 H SER 113 HN SER 113 17.195 4.180 -0.397 852 HA SER 113 HA SER 113 18.578 3.078 -2.723 853 HB2 SER 113 HB2 SER 113 19.812 3.740 -0.613 854 HB3 SER 113 HB1 SER 113 19.020 2.381 0.187 855 HG SER 113 HG SER 113 20.577 2.140 -2.176 856 H ARG 114 HN ARG 114 15.810 2.486 -0.988 857 HA ARG 114 HA ARG 114 14.279 0.814 -1.001 858 HB2 ARG 114 HB2 ARG 114 16.097 -0.261 -3.153 859 HB3 ARG 114 HB1 ARG 114 14.592 -1.050 -2.684 860 HG2 ARG 114 HG2 ARG 114 13.281 0.681 -3.507 861 HG3 ARG 114 HG1 ARG 114 14.621 1.830 -3.498 862 HD2 ARG 114 HD2 ARG 114 14.463 -0.585 -5.291 863 HD3 ARG 114 HD1 ARG 114 13.967 1.040 -5.767 864 HE ARG 114 HE ARG 114 16.483 1.451 -4.936 865 HH11 ARG 114 HH11 ARG 114 15.123 -0.930 -7.115 866 HH12 ARG 114 HH12 ARG 114 16.573 -1.080 -8.053 867 HH21 ARG 114 HH21 ARG 114 18.381 1.287 -6.183 868 HH22 ARG 114 HH22 ARG 114 18.427 0.173 -7.521 869 H THR 115 HN THR 115 16.423 0.826 0.854 870 HA THR 115 HA THR 115 16.535 -2.035 1.516 871 HB THR 115 HB THR 115 18.569 -1.289 2.941 872 HG1 THR 115 HG1 THR 115 19.121 0.615 1.011 873 HG21 THR 115 HG21 THR 115 20.101 -1.609 1.035 874 HG22 THR 115 HG22 THR 115 18.747 -1.388 -0.074 875 HG23 THR 115 HG23 THR 115 18.776 -2.773 1.020 876 H GLN 116 HN GLN 116 16.517 -2.470 3.890 877 HA GLN 116 HA GLN 116 15.349 -0.316 5.475 878 HB2 GLN 116 HB2 GLN 116 13.427 -1.644 6.150 879 HB3 GLN 116 HB1 GLN 116 13.447 -1.482 4.401 880 HG2 GLN 116 HG2 GLN 116 14.456 -3.743 4.258 881 HG3 GLN 116 HG1 GLN 116 14.254 -3.896 6.003 882 HE21 GLN 116 HE21 GLN 116 12.830 -5.602 5.886 883 HE22 GLN 116 HE22 GLN 116 11.219 -5.440 5.284 884 H ALA 117 HN ALA 117 15.407 -0.680 7.742 885 HA ALA 117 HA ALA 117 17.653 -2.373 8.492 886 HB1 ALA 117 HB1 ALA 117 17.596 -0.028 9.227 887 HB2 ALA 117 HB2 ALA 117 17.635 -1.149 10.588 888 HB3 ALA 117 HB3 ALA 117 16.123 -0.363 10.137 889 H ASP 118 HN ASP 118 14.544 -2.989 8.103 890 HA ASP 118 HA ASP 118 14.290 -4.600 10.557 891 HB2 ASP 118 HB2 ASP 118 12.537 -2.766 9.983 892 HB3 ASP 118 HB1 ASP 118 11.988 -3.898 8.748 893 H ALA 119 HN ALA 119 13.470 -6.718 10.349 894 HA ALA 119 HA ALA 119 14.429 -8.075 8.001 895 HB1 ALA 119 HB1 ALA 119 13.890 -10.112 9.208 896 HB2 ALA 119 HB2 ALA 119 13.015 -9.184 10.424 897 HB3 ALA 119 HB3 ALA 119 14.760 -8.995 10.257 898 H LEU 120 HN LEU 120 11.407 -6.881 9.134 899 HA LEU 120 HA LEU 120 10.056 -7.551 6.738 900 HB2 LEU 120 HB2 LEU 120 10.033 -9.774 7.876 901 HB3 LEU 120 HB1 LEU 120 9.177 -9.046 9.215 902 HG LEU 120 HG LEU 120 7.320 -8.488 7.621 903 HD11 LEU 120 HD11 LEU 120 8.526 -8.560 5.540 904 HD12 LEU 120 HD12 LEU 120 7.242 -9.766 5.520 905 HD13 LEU 120 HD13 LEU 120 8.913 -10.262 5.786 906 HD21 LEU 120 HD21 LEU 120 8.048 -11.386 7.983 907 HD22 LEU 120 HD22 LEU 120 6.447 -10.781 7.563 908 HD23 LEU 120 HD23 LEU 120 7.161 -10.374 9.122 909 H VAL 121 HN VAL 121 8.684 -5.850 6.483 910 HA VAL 121 HA VAL 121 7.530 -4.729 8.938 911 HB VAL 121 HB VAL 121 9.182 -3.185 8.157 912 HG11 VAL 121 HG11 VAL 121 7.771 -3.150 5.500 913 HG12 VAL 121 HG12 VAL 121 9.336 -3.890 5.831 914 HG13 VAL 121 HG13 VAL 121 9.141 -2.143 5.965 915 HG21 VAL 121 HG21 VAL 121 6.426 -2.182 7.477 916 HG22 VAL 121 HG22 VAL 121 7.833 -1.176 7.818 917 HG23 VAL 121 HG23 VAL 121 7.164 -2.211 9.079 918 H LEU 122 HN LEU 122 5.591 -5.604 8.939 919 HA LEU 122 HA LEU 122 3.855 -5.219 6.591 920 HB2 LEU 122 HB2 LEU 122 3.308 -7.015 8.952 921 HB3 LEU 122 HB1 LEU 122 2.512 -7.024 7.393 922 HG LEU 122 HG LEU 122 5.344 -7.925 7.953 923 HD11 LEU 122 HD11 LEU 122 4.468 -10.142 7.325 924 HD12 LEU 122 HD12 LEU 122 2.845 -9.458 7.251 925 HD13 LEU 122 HD13 LEU 122 3.716 -9.499 8.783 926 HD21 LEU 122 HD21 LEU 122 3.791 -7.933 5.369 927 HD22 LEU 122 HD22 LEU 122 5.369 -8.675 5.626 928 HD23 LEU 122 HD23 LEU 122 5.189 -6.925 5.743 929 H LEU 123 HN LEU 123 2.764 -3.339 6.839 930 HA LEU 123 HA LEU 123 2.218 -2.413 9.556 931 HB2 LEU 123 HB2 LEU 123 1.958 -0.939 6.939 932 HB3 LEU 123 HB1 LEU 123 1.768 -0.240 8.536 933 HG LEU 123 HG LEU 123 4.319 -1.359 7.380 934 HD11 LEU 123 HD11 LEU 123 3.518 1.469 8.044 935 HD12 LEU 123 HD12 LEU 123 3.646 0.791 6.422 936 HD13 LEU 123 HD13 LEU 123 5.087 0.948 7.428 937 HD21 LEU 123 HD21 LEU 123 4.212 -1.751 9.782 938 HD22 LEU 123 HD22 LEU 123 3.799 -0.058 10.051 939 HD23 LEU 123 HD23 LEU 123 5.382 -0.490 9.406 940 H GLY 124 HN GLY 124 0.339 -2.699 10.436 941 HA2 GLY 124 HA2 GLY 124 -2.057 -2.775 8.712 942 HA3 GLY 124 HA1 GLY 124 -1.907 -3.678 10.211 943 H GLY 125 HN GLY 125 -4.063 -1.999 9.774 944 HA2 GLY 125 HA2 GLY 125 -5.253 -0.555 11.133 945 HA3 GLY 125 HA1 GLY 125 -3.791 -0.295 12.076 946 H LEU 126 HN LEU 126 -3.587 0.187 8.663 947 HA LEU 126 HA LEU 126 -3.111 2.994 9.020 948 HB2 LEU 126 HB2 LEU 126 -3.107 1.155 6.655 949 HB3 LEU 126 HB1 LEU 126 -3.112 2.892 6.411 950 HG LEU 126 HG LEU 126 -1.004 3.039 7.729 951 HD11 LEU 126 HD11 LEU 126 0.269 1.026 8.174 952 HD12 LEU 126 HD12 LEU 126 -1.056 0.030 7.575 953 HD13 LEU 126 HD13 LEU 126 -1.263 0.989 9.042 954 HD21 LEU 126 HD21 LEU 126 0.425 2.124 5.966 955 HD22 LEU 126 HD22 LEU 126 -0.964 2.985 5.303 956 HD23 LEU 126 HD23 LEU 126 -0.948 1.222 5.325 957 H ASP 127 HN ASP 127 -4.297 4.702 8.050 958 HA ASP 127 HA ASP 127 -7.130 4.035 7.611 959 HB2 ASP 127 HB2 ASP 127 -5.992 6.380 9.153 960 HB3 ASP 127 HB1 ASP 127 -7.689 6.228 8.699 961 H PHE 128 HN PHE 128 -8.345 5.694 6.418 962 HA PHE 128 HA PHE 128 -6.658 6.952 4.356 963 HB2 PHE 128 HB2 PHE 128 -9.394 5.722 4.253 964 HB3 PHE 128 HB1 PHE 128 -8.951 6.964 3.092 965 HD1 PHE 128 HD1 PHE 128 -6.958 6.572 1.602 966 HD2 PHE 128 HD2 PHE 128 -8.706 3.488 3.963 967 HE1 PHE 128 HE1 PHE 128 -5.901 4.876 0.168 968 HE2 PHE 128 HE2 PHE 128 -7.651 1.792 2.533 969 HZ PHE 128 HZ PHE 128 -6.245 2.482 0.631 970 H GLU 129 HN GLU 129 -7.180 8.150 6.877 971 HA GLU 129 HA GLU 129 -9.221 10.131 6.552 972 HB2 GLU 129 HB2 GLU 129 -6.902 10.013 8.493 973 HB3 GLU 129 HB1 GLU 129 -8.234 11.156 8.573 974 HG2 GLU 129 HG2 GLU 129 -9.796 9.298 8.892 975 HG3 GLU 129 HG1 GLU 129 -8.445 8.168 8.850 976 H ALA 130 HN ALA 130 -9.066 11.858 5.305 977 HA ALA 130 HA ALA 130 -6.491 13.192 4.997 978 HB1 ALA 130 HB1 ALA 130 -8.156 12.293 2.646 979 HB2 ALA 130 HB2 ALA 130 -6.586 11.643 3.114 980 HB3 ALA 130 HB3 ALA 130 -6.719 13.312 2.561 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -30.018 -15.099 5.102 2 H2 GLY 1 HT2 GLY 1 -28.751 -16.118 4.644 3 H3 GLY 1 HT3 GLY 1 -29.206 -14.841 3.640 4 HA2 GLY 1 HA1 GLY 1 -28.514 -13.249 5.327 5 HA3 GLY 1 HA2 GLY 1 -28.011 -14.594 6.339 6 H ALA 2 HN ALA 2 -27.104 -12.430 3.906 7 HA ALA 2 HA ALA 2 -24.637 -13.967 3.403 8 HB1 ALA 2 HB1 ALA 2 -25.962 -13.621 1.377 9 HB2 ALA 2 HB2 ALA 2 -24.436 -12.741 1.295 10 HB3 ALA 2 HB3 ALA 2 -25.935 -11.880 1.649 11 H MET 3 HN MET 3 -25.590 -11.841 5.461 12 HA MET 3 HA MET 3 -23.750 -9.670 5.017 13 HB2 MET 3 HB2 MET 3 -24.491 -8.877 7.238 14 HB3 MET 3 HB1 MET 3 -25.850 -9.226 6.180 15 HG2 MET 3 HG2 MET 3 -26.082 -11.431 7.318 16 HG3 MET 3 HG1 MET 3 -24.827 -10.920 8.446 17 HE1 MET 3 HE1 MET 3 -26.525 -7.878 10.237 18 HE2 MET 3 HE2 MET 3 -25.525 -7.795 8.787 19 HE3 MET 3 HE3 MET 3 -25.076 -8.873 10.107 20 H GLY 4 HN GLY 4 -22.142 -9.093 6.770 21 HA2 GLY 4 HA2 GLY 4 -20.284 -9.642 8.022 22 HA3 GLY 4 HA1 GLY 4 -20.978 -11.239 8.275 23 H MET 5 HN MET 5 -20.329 -9.684 5.197 24 HA MET 5 HA MET 5 -18.084 -11.483 4.681 25 HB2 MET 5 HB2 MET 5 -20.526 -11.317 2.897 26 HB3 MET 5 HB1 MET 5 -19.041 -12.165 2.501 27 HG2 MET 5 HG2 MET 5 -19.422 -13.712 4.345 28 HG3 MET 5 HG1 MET 5 -20.898 -12.846 4.774 29 HE1 MET 5 HE1 MET 5 -22.329 -15.089 4.649 30 HE2 MET 5 HE2 MET 5 -20.839 -15.960 4.292 31 HE3 MET 5 HE3 MET 5 -22.265 -16.201 3.283 32 H SER 6 HN SER 6 -20.248 -9.209 3.015 33 HA SER 6 HA SER 6 -19.879 -7.511 1.563 34 HB2 SER 6 HB2 SER 6 -17.411 -7.080 3.259 35 HB3 SER 6 HB1 SER 6 -18.172 -5.886 2.211 36 HG SER 6 HG SER 6 -19.249 -7.079 4.552 37 HA PRO 7 HA PRO 7 -16.514 -9.970 -0.640 38 HB2 PRO 7 HB2 PRO 7 -17.992 -11.369 -2.393 39 HB3 PRO 7 HB1 PRO 7 -17.738 -11.931 -0.738 40 HG2 PRO 7 HG2 PRO 7 -20.104 -10.544 -1.927 41 HG3 PRO 7 HG1 PRO 7 -20.054 -11.906 -0.795 42 HD2 PRO 7 HD2 PRO 7 -20.500 -9.301 -0.045 43 HD3 PRO 7 HD1 PRO 7 -19.808 -10.533 1.027 44 H ASP 8 HN ASP 8 -19.320 -8.226 -1.741 45 HA ASP 8 HA ASP 8 -18.238 -7.659 -4.356 46 HB2 ASP 8 HB2 ASP 8 -20.243 -6.314 -4.679 47 HB3 ASP 8 HB1 ASP 8 -20.684 -7.863 -3.972 48 H THR 9 HN THR 9 -18.597 -6.018 -1.262 49 HA THR 9 HA THR 9 -17.522 -3.527 -2.033 50 HB THR 9 HB THR 9 -17.368 -4.861 0.677 51 HG1 THR 9 HG1 THR 9 -19.455 -3.707 -0.747 52 HG21 THR 9 HG21 THR 9 -17.301 -2.542 1.521 53 HG22 THR 9 HG22 THR 9 -17.237 -1.958 -0.142 54 HG23 THR 9 HG23 THR 9 -15.911 -2.923 0.505 55 H ALA 10 HN ALA 10 -16.079 -6.448 -0.677 56 HA ALA 10 HA ALA 10 -13.434 -5.519 -0.502 57 HB1 ALA 10 HB1 ALA 10 -14.403 -8.344 -0.905 58 HB2 ALA 10 HB2 ALA 10 -14.205 -7.532 0.647 59 HB3 ALA 10 HB3 ALA 10 -12.795 -7.868 -0.358 60 H ARG 11 HN ARG 11 -15.214 -7.121 -3.099 61 HA ARG 11 HA ARG 11 -12.978 -7.430 -4.814 62 HB2 ARG 11 HB2 ARG 11 -15.005 -8.784 -5.081 63 HB3 ARG 11 HB1 ARG 11 -15.918 -7.344 -5.510 64 HG2 ARG 11 HG2 ARG 11 -14.582 -7.054 -7.508 65 HG3 ARG 11 HG1 ARG 11 -13.579 -8.433 -7.061 66 HD2 ARG 11 HD2 ARG 11 -15.553 -9.892 -7.214 67 HD3 ARG 11 HD1 ARG 11 -16.522 -8.505 -7.712 68 HE ARG 11 HE ARG 11 -14.566 -8.465 -9.528 69 HH11 ARG 11 HH11 ARG 11 -16.605 -11.070 -8.392 70 HH12 ARG 11 HH12 ARG 11 -16.497 -11.967 -9.872 71 HH21 ARG 11 HH21 ARG 11 -14.421 -9.636 -11.471 72 HH22 ARG 11 HH22 ARG 11 -15.251 -11.150 -11.628 73 H ARG 12 HN ARG 12 -15.378 -4.887 -4.392 74 HA ARG 12 HA ARG 12 -14.794 -3.407 -6.707 75 HB2 ARG 12 HB2 ARG 12 -16.764 -3.114 -5.127 76 HB3 ARG 12 HB1 ARG 12 -15.668 -2.240 -4.069 77 HG2 ARG 12 HG2 ARG 12 -15.259 -0.600 -5.832 78 HG3 ARG 12 HG1 ARG 12 -16.363 -1.473 -6.895 79 HD2 ARG 12 HD2 ARG 12 -17.041 -0.097 -4.300 80 HD3 ARG 12 HD1 ARG 12 -17.521 0.398 -5.922 81 HE ARG 12 HE ARG 12 -18.402 -2.193 -4.850 82 HH11 ARG 12 HH11 ARG 12 -19.173 1.011 -6.037 83 HH12 ARG 12 HH12 ARG 12 -20.871 0.688 -6.165 84 HH21 ARG 12 HH21 ARG 12 -20.626 -2.607 -4.989 85 HH22 ARG 12 HH22 ARG 12 -21.698 -1.373 -5.570 86 H PHE 13 HN PHE 13 -13.561 -3.119 -3.391 87 HA PHE 13 HA PHE 13 -11.763 -1.012 -3.891 88 HB2 PHE 13 HB2 PHE 13 -12.449 -1.692 -1.621 89 HB3 PHE 13 HB1 PHE 13 -11.593 -3.212 -1.812 90 HD1 PHE 13 HD2 PHE 13 -9.166 -3.297 -1.715 91 HD2 PHE 13 HD1 PHE 13 -11.260 0.376 -1.221 92 HE1 PHE 13 HE2 PHE 13 -7.129 -2.260 -0.809 93 HE2 PHE 13 HE1 PHE 13 -9.225 1.421 -0.320 94 HZ PHE 13 HZ PHE 13 -7.158 0.093 -0.093 95 H ASP 14 HN ASP 14 -11.427 -4.512 -4.040 96 HA ASP 14 HA ASP 14 -8.676 -4.643 -4.557 97 HB2 ASP 14 HB2 ASP 14 -10.084 -6.566 -3.872 98 HB3 ASP 14 HB1 ASP 14 -10.842 -6.547 -5.460 99 H THR 15 HN THR 15 -11.436 -4.282 -6.696 100 HA THR 15 HA THR 15 -9.863 -4.749 -9.062 101 HB THR 15 HB THR 15 -12.700 -3.732 -8.889 102 HG1 THR 15 HG1 THR 15 -12.379 -5.801 -7.870 103 HG21 THR 15 HG21 THR 15 -11.640 -3.381 -11.073 104 HG22 THR 15 HG22 THR 15 -12.897 -4.614 -11.162 105 HG23 THR 15 HG23 THR 15 -11.198 -5.088 -11.133 106 H GLU 16 HN GLU 16 -11.349 -1.865 -7.543 107 HA GLU 16 HA GLU 16 -10.232 -0.289 -9.749 108 HB2 GLU 16 HB2 GLU 16 -12.627 0.020 -9.246 109 HB3 GLU 16 HB1 GLU 16 -12.196 0.592 -7.639 110 HG2 GLU 16 HG2 GLU 16 -12.672 2.444 -9.162 111 HG3 GLU 16 HG1 GLU 16 -11.001 2.472 -8.595 112 H PHE 17 HN PHE 17 -10.179 -0.433 -6.195 113 HA PHE 17 HA PHE 17 -8.683 2.033 -6.075 114 HB2 PHE 17 HB2 PHE 17 -9.648 0.141 -3.935 115 HB3 PHE 17 HB1 PHE 17 -8.679 1.565 -3.583 116 HD1 PHE 17 HD2 PHE 17 -11.833 0.542 -5.284 117 HD2 PHE 17 HD1 PHE 17 -9.739 3.595 -3.175 118 HE1 PHE 17 HE2 PHE 17 -13.876 1.910 -5.238 119 HE2 PHE 17 HE1 PHE 17 -11.780 4.966 -3.130 120 HZ PHE 17 HZ PHE 17 -13.849 4.126 -4.101 121 H ALA 18 HN ALA 18 -8.020 -1.367 -5.251 122 HA ALA 18 HA ALA 18 -5.483 -0.992 -4.200 123 HB1 ALA 18 HB1 ALA 18 -5.101 -3.346 -4.547 124 HB2 ALA 18 HB2 ALA 18 -6.429 -3.422 -5.701 125 HB3 ALA 18 HB3 ALA 18 -6.756 -3.078 -4.003 126 HA PRO 19 HA PRO 19 -3.639 -1.694 -8.712 127 HB2 PRO 19 HB2 PRO 19 -5.874 -0.407 -10.215 128 HB3 PRO 19 HB1 PRO 19 -4.814 -1.742 -10.697 129 HG2 PRO 19 HG2 PRO 19 -7.302 -2.241 -9.973 130 HG3 PRO 19 HG1 PRO 19 -5.987 -3.297 -9.421 131 HD2 PRO 19 HD2 PRO 19 -7.430 -1.135 -7.928 132 HD3 PRO 19 HD1 PRO 19 -6.947 -2.751 -7.377 133 H ARG 20 HN ARG 20 -5.765 1.000 -7.847 134 HA ARG 20 HA ARG 20 -4.230 3.014 -9.152 135 HB2 ARG 20 HB2 ARG 20 -6.113 3.304 -6.801 136 HB3 ARG 20 HB1 ARG 20 -5.487 4.621 -7.779 137 HG2 ARG 20 HG2 ARG 20 -7.310 2.420 -8.716 138 HG3 ARG 20 HG1 ARG 20 -7.765 4.091 -8.391 139 HD2 ARG 20 HD2 ARG 20 -6.319 4.852 -10.188 140 HD3 ARG 20 HD1 ARG 20 -5.792 3.196 -10.489 141 HE ARG 20 HE ARG 20 -8.464 2.999 -10.760 142 HH11 ARG 20 HH11 ARG 20 -6.134 5.239 -12.133 143 HH12 ARG 20 HH12 ARG 20 -7.048 5.485 -13.586 144 HH21 ARG 20 HH21 ARG 20 -9.644 3.320 -12.657 145 HH22 ARG 20 HH22 ARG 20 -9.045 4.387 -13.890 146 H ILE 21 HN ILE 21 -4.270 1.648 -5.917 147 HA ILE 21 HA ILE 21 -2.431 3.448 -4.748 148 HB ILE 21 HB ILE 21 -2.894 0.563 -3.971 149 HG12 ILE 21 HG12 ILE 21 -4.304 3.037 -2.939 150 HG13 ILE 21 HG11 ILE 21 -5.006 1.900 -4.084 151 HG21 ILE 21 HG21 ILE 21 -2.114 1.235 -1.780 152 HG22 ILE 21 HG22 ILE 21 -1.943 2.902 -2.318 153 HG23 ILE 21 HG23 ILE 21 -0.900 1.648 -2.989 154 HD11 ILE 21 HD11 ILE 21 -5.862 1.432 -1.902 155 HD12 ILE 21 HD12 ILE 21 -4.236 1.354 -1.226 156 HD13 ILE 21 HD13 ILE 21 -4.777 0.120 -2.364 157 H ALA 22 HN ALA 22 -2.046 0.208 -6.142 158 HA ALA 22 HA ALA 22 0.728 0.010 -5.712 159 HB1 ALA 22 HB1 ALA 22 0.650 -1.868 -7.256 160 HB2 ALA 22 HB2 ALA 22 -0.955 -1.373 -7.792 161 HB3 ALA 22 HB3 ALA 22 -0.711 -1.923 -6.135 162 H ARG 23 HN ARG 23 -1.149 1.268 -8.406 163 HA ARG 23 HA ARG 23 1.050 1.588 -10.176 164 HB2 ARG 23 HB2 ARG 23 -1.248 1.472 -10.993 165 HB3 ARG 23 HB1 ARG 23 -1.654 2.939 -10.118 166 HG2 ARG 23 HG2 ARG 23 -0.133 4.216 -11.534 167 HG3 ARG 23 HG1 ARG 23 0.294 2.742 -12.408 168 HD2 ARG 23 HD2 ARG 23 -1.976 2.490 -13.178 169 HD3 ARG 23 HD1 ARG 23 -2.497 3.861 -12.201 170 HE ARG 23 HE ARG 23 -0.441 4.573 -14.053 171 HH11 ARG 23 HH11 ARG 23 -3.865 3.963 -13.758 172 HH12 ARG 23 HH12 ARG 23 -4.300 5.003 -15.077 173 HH21 ARG 23 HH21 ARG 23 -0.999 5.943 -15.801 174 HH22 ARG 23 HH22 ARG 23 -2.669 6.135 -16.238 175 H ALA 24 HN ALA 24 -0.614 3.753 -7.921 176 HA ALA 24 HA ALA 24 0.844 6.078 -8.537 177 HB1 ALA 24 HB1 ALA 24 0.022 6.952 -6.422 178 HB2 ALA 24 HB2 ALA 24 -0.456 5.329 -5.923 179 HB3 ALA 24 HB3 ALA 24 -1.264 6.106 -7.285 180 H ILE 25 HN ILE 25 1.357 3.537 -6.131 181 HA ILE 25 HA ILE 25 3.659 4.661 -4.948 182 HB ILE 25 HB ILE 25 2.770 1.777 -5.128 183 HG12 ILE 25 HG12 ILE 25 2.575 3.798 -2.876 184 HG13 ILE 25 HG11 ILE 25 1.241 3.284 -3.904 185 HG21 ILE 25 HG21 ILE 25 5.155 1.839 -4.747 186 HG22 ILE 25 HG22 ILE 25 4.330 1.371 -3.260 187 HG23 ILE 25 HG23 ILE 25 4.949 3.013 -3.447 188 HD11 ILE 25 HD11 ILE 25 1.429 1.023 -3.045 189 HD12 ILE 25 HD12 ILE 25 1.203 2.179 -1.732 190 HD13 ILE 25 HD13 ILE 25 2.801 1.504 -2.049 191 H ALA 26 HN ALA 26 3.242 2.306 -7.565 192 HA ALA 26 HA ALA 26 5.932 1.747 -8.053 193 HB1 ALA 26 HB1 ALA 26 3.638 1.829 -10.011 194 HB2 ALA 26 HB2 ALA 26 4.115 0.450 -9.021 195 HB3 ALA 26 HB3 ALA 26 5.194 1.044 -10.283 196 H ASP 27 HN ASP 27 3.856 4.315 -9.244 197 HA ASP 27 HA ASP 27 5.765 5.479 -10.999 198 HB2 ASP 27 HB2 ASP 27 3.477 5.966 -11.419 199 HB3 ASP 27 HB1 ASP 27 3.203 6.477 -9.758 200 H LEU 28 HN LEU 28 4.876 5.971 -7.646 201 HA LEU 28 HA LEU 28 6.277 8.375 -7.208 202 HB2 LEU 28 HB2 LEU 28 4.476 7.282 -5.756 203 HB3 LEU 28 HB1 LEU 28 5.733 6.228 -5.153 204 HG LEU 28 HG LEU 28 5.102 8.194 -3.693 205 HD11 LEU 28 HD11 LEU 28 7.407 8.678 -3.040 206 HD12 LEU 28 HD12 LEU 28 7.981 7.945 -4.537 207 HD13 LEU 28 HD13 LEU 28 7.155 6.957 -3.332 208 HD21 LEU 28 HD21 LEU 28 6.078 10.358 -4.249 209 HD22 LEU 28 HD22 LEU 28 4.900 9.860 -5.461 210 HD23 LEU 28 HD23 LEU 28 6.624 9.720 -5.797 211 H LEU 29 HN LEU 29 7.175 4.981 -7.013 212 HA LEU 29 HA LEU 29 9.855 5.662 -6.098 213 HB2 LEU 29 HB2 LEU 29 8.646 2.966 -6.726 214 HB3 LEU 29 HB1 LEU 29 10.181 3.250 -5.926 215 HG LEU 29 HG LEU 29 7.472 3.990 -4.824 216 HD11 LEU 29 HD11 LEU 29 9.370 1.788 -4.035 217 HD12 LEU 29 HD12 LEU 29 7.831 1.579 -4.871 218 HD13 LEU 29 HD13 LEU 29 7.862 2.198 -3.219 219 HD21 LEU 29 HD21 LEU 29 8.748 4.391 -2.729 220 HD22 LEU 29 HD22 LEU 29 9.124 5.532 -4.018 221 HD23 LEU 29 HD23 LEU 29 10.240 4.217 -3.654 222 H ASN 30 HN ASN 30 8.429 5.895 -8.921 223 HA ASN 30 HA ASN 30 9.026 5.875 -11.105 224 HB2 ASN 30 HB2 ASN 30 11.767 6.136 -9.853 225 HB3 ASN 30 HB1 ASN 30 11.443 6.361 -11.568 226 HD21 ASN 30 HD21 ASN 30 10.417 8.211 -12.261 227 HD22 ASN 30 HD22 ASN 30 10.136 9.570 -11.229 228 H HIS 31 HN HIS 31 8.655 3.323 -9.952 229 HA HIS 31 HA HIS 31 8.842 1.127 -10.477 230 HB2 HIS 31 HB2 HIS 31 10.203 2.223 -12.941 231 HB3 HIS 31 HB1 HIS 31 9.795 0.526 -12.723 232 HD1 HIS 31 HD1 HIS 31 8.640 2.735 -14.846 233 HD2 HIS 31 HD2 HIS 31 6.712 1.037 -11.579 234 HE1 HIS 31 HE1 HIS 31 6.180 2.925 -15.336 235 HE2 HIS 31 HE2 HIS 31 5.035 2.026 -13.277 236 H ARG 32 HN ARG 32 11.200 2.681 -9.157 237 HA ARG 32 HA ARG 32 13.475 1.032 -9.708 238 HB2 ARG 32 HB2 ARG 32 12.811 2.928 -7.458 239 HB3 ARG 32 HB1 ARG 32 14.307 2.008 -7.493 240 HG2 ARG 32 HG2 ARG 32 13.426 3.935 -9.628 241 HG3 ARG 32 HG1 ARG 32 14.560 4.307 -8.330 242 HD2 ARG 32 HD2 ARG 32 15.970 2.404 -9.159 243 HD3 ARG 32 HD1 ARG 32 14.894 2.303 -10.551 244 HE ARG 32 HE ARG 32 15.718 4.926 -10.438 245 HH11 ARG 32 HH11 ARG 32 17.252 1.797 -10.742 246 HH12 ARG 32 HH12 ARG 32 18.606 2.400 -11.644 247 HH21 ARG 32 HH21 ARG 32 17.506 5.735 -11.623 248 HH22 ARG 32 HH22 ARG 32 18.742 4.642 -12.152 249 H ALA 33 HN ALA 33 10.724 0.847 -7.664 250 HA ALA 33 HA ALA 33 11.663 -1.754 -6.658 251 HB1 ALA 33 HB1 ALA 33 10.097 -1.480 -4.799 252 HB2 ALA 33 HB2 ALA 33 9.603 0.088 -5.438 253 HB3 ALA 33 HB3 ALA 33 11.249 -0.146 -4.850 254 H HIS 34 HN HIS 34 9.879 -3.366 -6.444 255 HA HIS 34 HA HIS 34 8.004 -3.060 -8.699 256 HB2 HIS 34 HB2 HIS 34 9.725 -4.844 -8.979 257 HB3 HIS 34 HB1 HIS 34 9.151 -5.605 -7.501 258 HD1 HIS 34 HD1 HIS 34 8.442 -5.308 -11.120 259 HD2 HIS 34 HD2 HIS 34 6.588 -6.861 -7.738 260 HE1 HIS 34 HE1 HIS 34 6.625 -6.816 -11.976 261 HE2 HIS 34 HE2 HIS 34 5.414 -7.609 -9.915 262 H THR 35 HN THR 35 5.878 -3.165 -8.272 263 HA THR 35 HA THR 35 5.128 -3.831 -5.507 264 HB THR 35 HB THR 35 3.091 -2.403 -5.983 265 HG1 THR 35 HG1 THR 35 3.130 -1.090 -7.768 266 HG21 THR 35 HG21 THR 35 5.787 -1.049 -6.113 267 HG22 THR 35 HG22 THR 35 5.006 -1.631 -4.644 268 HG23 THR 35 HG23 THR 35 4.280 -0.312 -5.566 269 H ASP 36 HN ASP 36 3.251 -5.024 -5.122 270 HA ASP 36 HA ASP 36 2.046 -6.360 -7.434 271 HB2 ASP 36 HB2 ASP 36 3.857 -7.836 -6.593 272 HB3 ASP 36 HB1 ASP 36 3.119 -7.813 -4.996 273 H VAL 37 HN VAL 37 -0.077 -6.960 -7.137 274 HA VAL 37 HA VAL 37 -1.320 -5.742 -4.769 275 HB VAL 37 HB VAL 37 -2.653 -6.432 -7.392 276 HG11 VAL 37 HG11 VAL 37 -4.168 -6.329 -5.474 277 HG12 VAL 37 HG12 VAL 37 -4.453 -4.994 -6.591 278 HG13 VAL 37 HG13 VAL 37 -3.572 -4.713 -5.090 279 HG21 VAL 37 HG21 VAL 37 -0.972 -4.723 -7.771 280 HG22 VAL 37 HG22 VAL 37 -1.608 -3.772 -6.429 281 HG23 VAL 37 HG23 VAL 37 -2.588 -4.024 -7.873 282 H VAL 38 HN VAL 38 -1.688 -7.217 -3.255 283 HA VAL 38 HA VAL 38 -2.191 -9.971 -3.775 284 HB VAL 38 HB VAL 38 -2.673 -8.339 -1.275 285 HG11 VAL 38 HG11 VAL 38 -4.053 -10.320 -1.229 286 HG12 VAL 38 HG12 VAL 38 -2.707 -10.504 -0.104 287 HG13 VAL 38 HG13 VAL 38 -2.670 -11.323 -1.663 288 HG21 VAL 38 HG21 VAL 38 -0.596 -9.366 -0.481 289 HG22 VAL 38 HG22 VAL 38 -0.332 -8.400 -1.932 290 HG23 VAL 38 HG23 VAL 38 -0.397 -10.158 -2.044 291 H GLY 39 HN GLY 39 -3.990 -10.697 -4.677 292 HA2 GLY 39 HA2 GLY 39 -6.325 -9.003 -4.782 293 HA3 GLY 39 HA1 GLY 39 -6.087 -10.510 -5.653 294 H TYR 40 HN TYR 40 -8.319 -9.404 -4.022 295 HA TYR 40 HA TYR 40 -8.607 -11.143 -1.765 296 HB2 TYR 40 HB2 TYR 40 -9.800 -8.935 -2.079 297 HB3 TYR 40 HB1 TYR 40 -10.782 -9.714 -3.318 298 HD1 TYR 40 HD1 TYR 40 -9.998 -9.674 0.305 299 HD2 TYR 40 HD2 TYR 40 -12.614 -11.109 -2.734 300 HE1 TYR 40 HE1 TYR 40 -11.575 -10.451 2.029 301 HE2 TYR 40 HE2 TYR 40 -14.194 -11.883 -1.016 302 HH TYR 40 HH TYR 40 -14.157 -12.547 1.338 303 H GLY 41 HN GLY 41 -9.082 -13.244 -1.831 304 HA2 GLY 41 HA2 GLY 41 -10.115 -14.367 -4.339 305 HA3 GLY 41 HA1 GLY 41 -9.318 -15.275 -3.056 306 H GLY 42 HN GLY 42 -10.572 -16.407 -1.723 307 HA2 GLY 42 HA2 GLY 42 -13.421 -16.315 -2.024 308 HA3 GLY 42 HA1 GLY 42 -12.522 -17.333 -0.904 309 H HIS 43 HN HIS 43 -11.232 -15.651 0.700 310 HA HIS 43 HA HIS 43 -12.647 -13.425 1.665 311 HB2 HIS 43 HB2 HIS 43 -14.278 -15.398 2.126 312 HB3 HIS 43 HB1 HIS 43 -13.145 -15.848 3.396 313 HD1 HIS 43 HD1 HIS 43 -16.184 -14.783 3.669 314 HD2 HIS 43 HD2 HIS 43 -12.696 -12.669 4.472 315 HE1 HIS 43 HE1 HIS 43 -16.843 -12.987 5.295 316 HE2 HIS 43 HE2 HIS 43 -14.758 -11.617 5.625 317 H GLY 44 HN GLY 44 -10.614 -16.199 2.323 318 HA2 GLY 44 HA2 GLY 44 -9.570 -15.382 4.799 319 HA3 GLY 44 HA1 GLY 44 -8.846 -16.553 3.721 320 H HIS 45 HN HIS 45 -8.540 -14.599 1.528 321 HA HIS 45 HA HIS 45 -6.203 -13.227 2.659 322 HB2 HIS 45 HB2 HIS 45 -6.830 -14.109 -0.157 323 HB3 HIS 45 HB1 HIS 45 -5.521 -12.992 0.207 324 HD1 HIS 45 HD1 HIS 45 -6.071 -16.450 -0.338 325 HD2 HIS 45 HD2 HIS 45 -3.710 -14.259 2.288 326 HE1 HIS 45 HE1 HIS 45 -4.288 -18.036 0.451 327 HE2 HIS 45 HE2 HIS 45 -2.798 -16.652 1.939 328 HA PRO 46 HA PRO 46 -8.620 -9.504 1.941 329 HB2 PRO 46 HB2 PRO 46 -7.218 -7.938 3.629 330 HB3 PRO 46 HB1 PRO 46 -8.403 -9.119 4.213 331 HG2 PRO 46 HG2 PRO 46 -5.420 -9.294 4.137 332 HG3 PRO 46 HG1 PRO 46 -6.546 -9.856 5.386 333 HD2 PRO 46 HD2 PRO 46 -5.387 -11.468 3.464 334 HD3 PRO 46 HD1 PRO 46 -6.882 -11.852 4.338 335 H THR 47 HN THR 47 -8.275 -7.885 0.511 336 HA THR 47 HA THR 47 -6.032 -7.846 -1.146 337 HB THR 47 HB THR 47 -8.064 -5.646 -0.716 338 HG1 THR 47 HG1 THR 47 -8.226 -7.395 -2.890 339 HG21 THR 47 HG21 THR 47 -6.323 -6.240 -3.121 340 HG22 THR 47 HG22 THR 47 -6.055 -4.927 -1.975 341 HG23 THR 47 HG23 THR 47 -7.503 -4.937 -2.978 342 H GLN 48 HN GLN 48 -4.231 -6.626 -1.233 343 HA GLN 48 HA GLN 48 -3.736 -4.347 0.391 344 HB2 GLN 48 HB2 GLN 48 -2.000 -5.270 1.843 345 HB3 GLN 48 HB1 GLN 48 -3.536 -6.066 2.147 346 HG2 GLN 48 HG2 GLN 48 -2.785 -7.959 0.749 347 HG3 GLN 48 HG1 GLN 48 -1.222 -7.166 0.568 348 HE21 GLN 48 HE21 GLN 48 -3.319 -8.922 2.699 349 HE22 GLN 48 HE22 GLN 48 -2.155 -9.184 3.953 350 H VAL 49 HN VAL 49 -1.509 -3.524 0.033 351 HA VAL 49 HA VAL 49 -0.467 -4.596 -2.502 352 HB VAL 49 HB VAL 49 -1.431 -2.402 -2.857 353 HG11 VAL 49 HG11 VAL 49 -0.518 -0.402 -1.771 354 HG12 VAL 49 HG12 VAL 49 0.495 -1.424 -0.753 355 HG13 VAL 49 HG13 VAL 49 -1.260 -1.499 -0.606 356 HG21 VAL 49 HG21 VAL 49 0.532 -2.988 -4.161 357 HG22 VAL 49 HG22 VAL 49 1.584 -2.335 -2.906 358 HG23 VAL 49 HG23 VAL 49 0.520 -1.260 -3.811 359 H ARG 50 HN ARG 50 1.435 -5.460 -2.414 360 HA ARG 50 HA ARG 50 3.225 -4.762 -0.200 361 HB2 ARG 50 HB2 ARG 50 4.398 -6.906 -0.793 362 HB3 ARG 50 HB1 ARG 50 2.751 -7.098 -0.210 363 HG2 ARG 50 HG2 ARG 50 1.987 -7.334 -2.544 364 HG3 ARG 50 HG1 ARG 50 3.668 -7.234 -3.072 365 HD2 ARG 50 HD2 ARG 50 4.226 -9.250 -1.915 366 HD3 ARG 50 HD1 ARG 50 2.646 -9.300 -1.133 367 HE ARG 50 HE ARG 50 2.186 -9.330 -3.877 368 HH11 ARG 50 HH11 ARG 50 3.769 -11.380 -1.511 369 HH12 ARG 50 HH12 ARG 50 3.424 -12.848 -2.370 370 HH21 ARG 50 HH21 ARG 50 1.748 -11.231 -5.006 371 HH22 ARG 50 HH22 ARG 50 2.265 -12.766 -4.368 372 H ILE 51 HN ILE 51 5.185 -3.930 -0.517 373 HA ILE 51 HA ILE 51 6.000 -3.393 -3.295 374 HB ILE 51 HB ILE 51 7.020 -1.960 -0.836 375 HG12 ILE 51 HG12 ILE 51 4.807 -1.068 -2.702 376 HG13 ILE 51 HG11 ILE 51 4.566 -1.642 -1.054 377 HG21 ILE 51 HG21 ILE 51 7.055 -1.222 -3.762 378 HG22 ILE 51 HG22 ILE 51 8.422 -1.858 -2.849 379 HG23 ILE 51 HG23 ILE 51 7.749 -0.279 -2.445 380 HD11 ILE 51 HD11 ILE 51 6.003 0.243 -0.278 381 HD12 ILE 51 HD12 ILE 51 4.486 0.732 -1.028 382 HD13 ILE 51 HD13 ILE 51 5.997 0.851 -1.931 383 H VAL 52 HN VAL 52 7.651 -4.534 -4.006 384 HA VAL 52 HA VAL 52 9.516 -5.692 -2.046 385 HB VAL 52 HB VAL 52 8.776 -6.811 -4.764 386 HG11 VAL 52 HG11 VAL 52 11.053 -7.372 -4.028 387 HG12 VAL 52 HG12 VAL 52 10.003 -8.788 -4.085 388 HG13 VAL 52 HG13 VAL 52 10.392 -8.044 -2.535 389 HG21 VAL 52 HG21 VAL 52 7.928 -7.730 -2.017 390 HG22 VAL 52 HG22 VAL 52 7.584 -8.562 -3.534 391 HG23 VAL 52 HG23 VAL 52 6.894 -6.968 -3.225 392 H ALA 53 HN ALA 53 11.623 -5.258 -2.293 393 HA ALA 53 HA ALA 53 12.419 -3.736 -4.688 394 HB1 ALA 53 HB1 ALA 53 12.464 -2.391 -2.638 395 HB2 ALA 53 HB2 ALA 53 14.078 -2.608 -3.317 396 HB3 ALA 53 HB3 ALA 53 13.580 -3.550 -1.912 397 HA PRO 54 HA PRO 54 15.012 -7.377 -5.266 398 HB2 PRO 54 HB2 PRO 54 15.928 -6.022 -7.692 399 HB3 PRO 54 HB1 PRO 54 15.022 -7.532 -7.532 400 HG2 PRO 54 HG2 PRO 54 13.944 -5.250 -8.531 401 HG3 PRO 54 HG1 PRO 54 12.993 -6.479 -7.679 402 HD2 PRO 54 HD2 PRO 54 14.021 -3.848 -6.694 403 HD3 PRO 54 HD1 PRO 54 12.479 -4.661 -6.355 404 H HIS 55 HN HIS 55 16.151 -6.193 -3.386 405 HA HIS 55 HA HIS 55 18.699 -5.056 -4.323 406 HB2 HIS 55 HB2 HIS 55 17.429 -3.577 -2.812 407 HB3 HIS 55 HB1 HIS 55 17.405 -4.844 -1.590 408 HD1 HIS 55 HD1 HIS 55 19.726 -5.423 -0.457 409 HD2 HIS 55 HD2 HIS 55 19.736 -2.059 -2.898 410 HE1 HIS 55 HE1 HIS 55 21.839 -4.182 0.109 411 HE2 HIS 55 HE2 HIS 55 21.905 -2.249 -1.506 412 H ALA 56 HN ALA 56 19.833 -6.915 -4.700 413 HA ALA 56 HA ALA 56 19.927 -9.120 -2.923 414 HB1 ALA 56 HB1 ALA 56 21.800 -9.879 -4.274 415 HB2 ALA 56 HB2 ALA 56 21.911 -8.295 -5.040 416 HB3 ALA 56 HB3 ALA 56 20.489 -9.305 -5.302 417 H GLU 57 HN GLU 57 21.615 -9.744 -1.522 418 HA GLU 57 HA GLU 57 22.913 -7.495 -0.217 419 HB2 GLU 57 HB2 GLU 57 21.671 -9.489 0.913 420 HB3 GLU 57 HB1 GLU 57 23.152 -10.382 0.605 421 HG2 GLU 57 HG2 GLU 57 23.010 -7.827 2.189 422 HG3 GLU 57 HG1 GLU 57 22.970 -9.441 2.889 423 H HIS 58 HN HIS 58 24.926 -6.922 -0.703 424 HA HIS 58 HA HIS 58 26.867 -8.935 -1.470 425 HB2 HIS 58 HB2 HIS 58 27.600 -7.630 -3.478 426 HB3 HIS 58 HB1 HIS 58 26.026 -8.389 -3.646 427 HD1 HIS 58 HD1 HIS 58 27.738 -5.166 -3.896 428 HD2 HIS 58 HD2 HIS 58 23.824 -6.497 -3.478 429 HE1 HIS 58 HE1 HIS 58 26.288 -3.216 -4.540 430 HE2 HIS 58 HE2 HIS 58 23.931 -4.104 -4.445 431 H VAL 59 HN VAL 59 27.205 -8.057 0.804 432 HA VAL 59 HA VAL 59 28.847 -7.272 2.149 433 HB VAL 59 HB VAL 59 29.990 -6.052 -0.362 434 HG11 VAL 59 HG11 VAL 59 30.692 -4.736 1.561 435 HG12 VAL 59 HG12 VAL 59 32.039 -5.698 0.953 436 HG13 VAL 59 HG13 VAL 59 31.180 -6.203 2.407 437 HG21 VAL 59 HG21 VAL 59 30.054 -8.458 -0.383 438 HG22 VAL 59 HG22 VAL 59 30.712 -8.495 1.251 439 HG23 VAL 59 HG23 VAL 59 31.680 -7.850 -0.074 440 H ARG 60 HN ARG 60 27.968 -4.715 -0.179 441 HA ARG 60 HA ARG 60 28.057 -2.766 1.995 442 HB2 ARG 60 HB2 ARG 60 27.660 -2.376 -0.986 443 HB3 ARG 60 HB1 ARG 60 27.813 -1.077 0.190 444 HG2 ARG 60 HG2 ARG 60 30.087 -1.869 0.728 445 HG3 ARG 60 HG1 ARG 60 29.925 -3.111 -0.510 446 HD2 ARG 60 HD2 ARG 60 29.678 -1.393 -2.225 447 HD3 ARG 60 HD1 ARG 60 29.776 -0.132 -0.993 448 HE ARG 60 HE ARG 60 32.074 -1.595 -0.691 449 HH11 ARG 60 HH11 ARG 60 30.584 0.154 -3.333 450 HH12 ARG 60 HH12 ARG 60 32.094 0.583 -4.069 451 HH21 ARG 60 HH21 ARG 60 34.072 -1.021 -1.667 452 HH22 ARG 60 HH22 ARG 60 34.072 -0.084 -3.123 453 H GLY 61 HN GLY 61 26.294 -1.671 2.755 454 HA2 GLY 61 HA2 GLY 61 24.047 -0.901 2.669 455 HA3 GLY 61 HA1 GLY 61 23.691 -2.160 1.492 456 H TYR 62 HN TYR 62 21.834 -2.224 3.178 457 HA TYR 62 HA TYR 62 22.522 -3.871 5.489 458 HB2 TYR 62 HB2 TYR 62 19.825 -2.785 4.605 459 HB3 TYR 62 HB1 TYR 62 20.134 -3.650 6.108 460 HD1 TYR 62 HD2 TYR 62 21.972 -2.551 7.664 461 HD2 TYR 62 HD1 TYR 62 19.840 -0.475 4.621 462 HE1 TYR 62 HE2 TYR 62 22.464 -0.416 8.781 463 HE2 TYR 62 HE1 TYR 62 20.328 1.662 5.735 464 HH TYR 62 HH TYR 62 22.628 1.976 8.191 465 H ALA 63 HN ALA 63 21.723 -5.962 5.796 466 HA ALA 63 HA ALA 63 21.321 -7.447 3.346 467 HB1 ALA 63 HB1 ALA 63 21.541 -8.400 6.196 468 HB2 ALA 63 HB2 ALA 63 22.864 -8.288 5.036 469 HB3 ALA 63 HB3 ALA 63 21.545 -9.424 4.762 470 H HIS 64 HN HIS 64 19.187 -5.702 4.076 471 HA HIS 64 HA HIS 64 17.044 -7.679 4.331 472 HB2 HIS 64 HB2 HIS 64 17.173 -5.059 5.846 473 HB3 HIS 64 HB1 HIS 64 15.739 -6.074 5.732 474 HD1 HIS 64 HD1 HIS 64 15.699 -8.237 7.141 475 HD2 HIS 64 HD2 HIS 64 19.169 -5.995 7.580 476 HE1 HIS 64 HE1 HIS 64 16.869 -9.189 9.151 477 HE2 HIS 64 HE2 HIS 64 19.044 -7.931 9.291 478 HA PRO 65 HA PRO 65 16.071 -5.119 0.694 479 HB2 PRO 65 HB2 PRO 65 14.571 -7.019 -0.527 480 HB3 PRO 65 HB1 PRO 65 16.335 -6.991 -0.630 481 HG2 PRO 65 HG2 PRO 65 14.565 -8.651 1.117 482 HG3 PRO 65 HG1 PRO 65 16.026 -9.122 0.233 483 HD2 PRO 65 HD2 PRO 65 16.013 -8.572 2.896 484 HD3 PRO 65 HD1 PRO 65 17.427 -8.302 1.859 485 H LEU 66 HN LEU 66 14.186 -4.030 0.192 486 HA LEU 66 HA LEU 66 12.346 -3.702 2.286 487 HB2 LEU 66 HB2 LEU 66 12.881 -1.887 0.801 488 HB3 LEU 66 HB1 LEU 66 12.271 -2.778 -0.579 489 HG LEU 66 HG LEU 66 9.990 -2.689 0.487 490 HD11 LEU 66 HD11 LEU 66 9.601 -0.987 2.187 491 HD12 LEU 66 HD12 LEU 66 11.335 -0.683 2.289 492 HD13 LEU 66 HD13 LEU 66 10.683 -2.247 2.780 493 HD21 LEU 66 HD21 LEU 66 11.310 -0.067 -0.195 494 HD22 LEU 66 HD22 LEU 66 9.576 -0.392 -0.215 495 HD23 LEU 66 HD23 LEU 66 10.643 -1.225 -1.346 496 H ASN 67 HN ASN 67 10.610 -4.791 2.807 497 HA ASN 67 HA ASN 67 8.916 -5.933 0.711 498 HB2 ASN 67 HB2 ASN 67 10.378 -7.777 1.632 499 HB3 ASN 67 HB1 ASN 67 9.648 -7.489 3.211 500 HD21 ASN 67 HD21 ASN 67 7.463 -8.019 3.527 501 HD22 ASN 67 HD22 ASN 67 6.635 -9.110 2.472 502 H LEU 68 HN LEU 68 7.497 -4.261 1.088 503 HA LEU 68 HA LEU 68 6.494 -3.902 3.827 504 HB2 LEU 68 HB2 LEU 68 7.362 -1.880 2.841 505 HB3 LEU 68 HB1 LEU 68 6.405 -2.119 1.392 506 HG LEU 68 HG LEU 68 4.346 -1.798 2.776 507 HD11 LEU 68 HD11 LEU 68 6.348 -1.005 4.878 508 HD12 LEU 68 HD12 LEU 68 5.215 -2.355 4.953 509 HD13 LEU 68 HD13 LEU 68 4.615 -0.699 4.956 510 HD21 LEU 68 HD21 LEU 68 6.354 0.444 2.689 511 HD22 LEU 68 HD22 LEU 68 4.629 0.649 2.984 512 HD23 LEU 68 HD23 LEU 68 5.189 0.012 1.440 513 H ALA 69 HN ALA 69 4.519 -4.514 4.354 514 HA ALA 69 HA ALA 69 2.574 -5.000 2.187 515 HB1 ALA 69 HB1 ALA 69 3.234 -7.017 3.454 516 HB2 ALA 69 HB2 ALA 69 1.515 -6.646 3.599 517 HB3 ALA 69 HB3 ALA 69 2.614 -6.261 4.923 518 H LEU 70 HN LEU 70 1.284 -3.295 2.042 519 HA LEU 70 HA LEU 70 0.531 -1.783 4.420 520 HB2 LEU 70 HB2 LEU 70 -0.012 -1.336 1.479 521 HB3 LEU 70 HB1 LEU 70 -0.563 -0.263 2.752 522 HG LEU 70 HG LEU 70 2.351 -0.855 2.206 523 HD11 LEU 70 HD11 LEU 70 2.426 1.325 1.132 524 HD12 LEU 70 HD12 LEU 70 0.679 1.489 1.326 525 HD13 LEU 70 HD13 LEU 70 1.336 0.232 0.279 526 HD21 LEU 70 HD21 LEU 70 1.974 -0.100 4.456 527 HD22 LEU 70 HD22 LEU 70 0.934 1.206 3.887 528 HD23 LEU 70 HD23 LEU 70 2.659 1.232 3.523 529 H THR 71 HN THR 71 -1.326 -2.139 5.483 530 HA THR 71 HA THR 71 -3.601 -3.236 3.978 531 HB THR 71 HB THR 71 -4.275 -4.422 6.112 532 HG1 THR 71 HG1 THR 71 -1.911 -3.255 6.930 533 HG21 THR 71 HG21 THR 71 -1.693 -5.288 4.803 534 HG22 THR 71 HG22 THR 71 -3.327 -5.689 4.270 535 HG23 THR 71 HG23 THR 71 -2.719 -6.317 5.802 536 H TRP 72 HN TRP 72 -5.682 -2.537 4.745 537 HA TRP 72 HA TRP 72 -5.533 -0.102 6.396 538 HB2 TRP 72 HB2 TRP 72 -6.980 -0.520 3.781 539 HB3 TRP 72 HB1 TRP 72 -7.383 0.799 4.884 540 HD1 TRP 72 HD1 TRP 72 -5.618 2.786 5.110 541 HE1 TRP 72 HE1 TRP 72 -3.650 3.536 3.630 542 HE3 TRP 72 HE3 TRP 72 -5.135 -1.405 2.219 543 HZ2 TRP 72 HZ2 TRP 72 -2.108 2.494 1.519 544 HZ3 TRP 72 HZ3 TRP 72 -3.385 -1.442 0.490 545 HH2 TRP 72 HH2 TRP 72 -1.906 0.470 0.154 546 H ASN 73 HN ASN 73 -7.421 0.510 7.500 547 HA ASN 73 HA ASN 73 -8.715 -1.595 8.829 548 HB2 ASN 73 HB2 ASN 73 -9.214 1.376 8.723 549 HB3 ASN 73 HB1 ASN 73 -10.209 0.301 9.702 550 HD21 ASN 73 HD21 ASN 73 -8.277 2.483 10.408 551 HD22 ASN 73 HD22 ASN 73 -7.189 1.738 11.532 552 H THR 74 HN THR 74 -10.459 -2.718 8.394 553 HA THR 74 HA THR 74 -11.626 -2.698 5.859 554 HB THR 74 HB THR 74 -12.814 -3.957 8.330 555 HG1 THR 74 HG1 THR 74 -10.969 -5.222 6.591 556 HG21 THR 74 HG21 THR 74 -12.866 -4.816 5.433 557 HG22 THR 74 HG22 THR 74 -14.198 -4.029 6.280 558 HG23 THR 74 HG23 THR 74 -13.656 -5.630 6.782 559 H ASP 75 HN ASP 75 -12.696 -1.222 8.872 560 HA ASP 75 HA ASP 75 -15.317 -0.562 8.036 561 HB2 ASP 75 HB2 ASP 75 -14.809 -0.406 10.375 562 HB3 ASP 75 HB1 ASP 75 -13.482 0.713 10.073 563 H GLU 76 HN GLU 76 -12.290 1.252 7.987 564 HA GLU 76 HA GLU 76 -13.191 3.520 6.659 565 HB2 GLU 76 HB2 GLU 76 -10.872 2.945 7.726 566 HB3 GLU 76 HB1 GLU 76 -10.465 2.413 6.100 567 HG2 GLU 76 HG2 GLU 76 -9.740 4.685 6.435 568 HG3 GLU 76 HG1 GLU 76 -11.039 4.635 5.242 569 H ILE 77 HN ILE 77 -12.003 0.446 5.339 570 HA ILE 77 HA ILE 77 -12.138 1.069 2.617 571 HB ILE 77 HB ILE 77 -12.763 -1.596 3.914 572 HG12 ILE 77 HG12 ILE 77 -10.143 -0.495 2.854 573 HG13 ILE 77 HG11 ILE 77 -10.539 -0.778 4.548 574 HG21 ILE 77 HG21 ILE 77 -12.139 -2.568 1.744 575 HG22 ILE 77 HG22 ILE 77 -11.955 -0.948 1.077 576 HG23 ILE 77 HG23 ILE 77 -13.540 -1.506 1.607 577 HD11 ILE 77 HD11 ILE 77 -10.716 -3.183 4.085 578 HD12 ILE 77 HD12 ILE 77 -9.121 -2.543 3.701 579 HD13 ILE 77 HD13 ILE 77 -10.271 -2.881 2.407 580 H GLU 78 HN GLU 78 -14.627 -0.214 4.783 581 HA GLU 78 HA GLU 78 -16.710 -0.418 2.917 582 HB2 GLU 78 HB2 GLU 78 -16.754 -1.439 5.162 583 HB3 GLU 78 HB1 GLU 78 -16.842 0.159 5.887 584 HG2 GLU 78 HG2 GLU 78 -19.010 0.520 4.816 585 HG3 GLU 78 HG1 GLU 78 -18.923 -1.095 4.114 586 H ARG 79 HN ARG 79 -15.641 2.242 4.960 587 HA ARG 79 HA ARG 79 -17.714 4.033 4.413 588 HB2 ARG 79 HB2 ARG 79 -15.939 4.197 6.222 589 HB3 ARG 79 HB1 ARG 79 -14.864 4.827 4.985 590 HG2 ARG 79 HG2 ARG 79 -15.799 6.657 6.218 591 HG3 ARG 79 HG1 ARG 79 -16.463 6.669 4.585 592 HD2 ARG 79 HD2 ARG 79 -17.881 5.429 6.932 593 HD3 ARG 79 HD1 ARG 79 -18.106 7.107 6.455 594 HE ARG 79 HE ARG 79 -18.890 6.195 4.270 595 HH11 ARG 79 HH11 ARG 79 -19.077 4.246 7.171 596 HH12 ARG 79 HH12 ARG 79 -20.401 3.284 6.596 597 HH21 ARG 79 HH21 ARG 79 -20.654 4.923 3.506 598 HH22 ARG 79 HH22 ARG 79 -21.287 3.665 4.523 599 H LEU 80 HN LEU 80 -14.931 3.144 2.516 600 HA LEU 80 HA LEU 80 -14.854 5.425 0.844 601 HB2 LEU 80 HB2 LEU 80 -13.948 2.596 0.331 602 HB3 LEU 80 HB1 LEU 80 -13.624 3.939 -0.746 603 HG LEU 80 HG LEU 80 -12.627 3.660 2.093 604 HD11 LEU 80 HD11 LEU 80 -11.191 3.505 -0.555 605 HD12 LEU 80 HD12 LEU 80 -11.512 2.159 0.539 606 HD13 LEU 80 HD13 LEU 80 -10.429 3.458 1.033 607 HD21 LEU 80 HD21 LEU 80 -11.279 5.666 1.577 608 HD22 LEU 80 HD22 LEU 80 -13.010 5.999 1.581 609 HD23 LEU 80 HD23 LEU 80 -12.147 5.836 0.051 610 H MET 81 HN MET 81 -17.187 3.003 1.090 611 HA MET 81 HA MET 81 -18.138 2.918 -1.563 612 HB2 MET 81 HB2 MET 81 -19.484 2.493 1.096 613 HB3 MET 81 HB1 MET 81 -20.370 2.368 -0.416 614 HG2 MET 81 HG2 MET 81 -17.959 0.725 0.339 615 HG3 MET 81 HG1 MET 81 -19.642 0.186 0.408 616 HE1 MET 81 HE1 MET 81 -20.804 1.586 -2.271 617 HE2 MET 81 HE2 MET 81 -21.192 -0.037 -1.708 618 HE3 MET 81 HE3 MET 81 -20.657 0.213 -3.370 619 H GLU 82 HN GLU 82 -18.077 5.491 0.621 620 HA GLU 82 HA GLU 82 -20.421 6.836 -0.406 621 HB2 GLU 82 HB2 GLU 82 -18.144 7.880 1.300 622 HB3 GLU 82 HB1 GLU 82 -19.629 8.752 0.953 623 HG2 GLU 82 HG2 GLU 82 -19.347 6.210 2.532 624 HG3 GLU 82 HG1 GLU 82 -19.719 7.812 3.154 625 H ALA 83 HN ALA 83 -20.363 8.773 -1.703 626 HA ALA 83 HA ALA 83 -18.371 8.910 -3.710 627 HB1 ALA 83 HB1 ALA 83 -19.419 11.024 -4.356 628 HB2 ALA 83 HB2 ALA 83 -20.327 11.044 -2.845 629 HB3 ALA 83 HB3 ALA 83 -20.636 9.788 -4.042 630 H ASP 84 HN ASP 84 -18.778 10.414 -0.599 631 HA ASP 84 HA ASP 84 -16.717 12.319 -0.683 632 HB2 ASP 84 HB2 ASP 84 -17.621 10.673 1.702 633 HB3 ASP 84 HB1 ASP 84 -16.733 12.191 1.768 634 H GLY 85 HN GLY 85 -16.659 8.918 -0.681 635 HA2 GLY 85 HA2 GLY 85 -14.142 8.551 0.640 636 HA3 GLY 85 HA1 GLY 85 -15.044 7.336 -0.262 637 H ALA 86 HN ALA 86 -15.215 8.324 -2.761 638 HA ALA 86 HA ALA 86 -12.756 7.963 -3.941 639 HB1 ALA 86 HB1 ALA 86 -13.729 8.920 -5.956 640 HB2 ALA 86 HB2 ALA 86 -15.042 9.613 -5.003 641 HB3 ALA 86 HB3 ALA 86 -14.883 7.862 -5.144 642 H ALA 87 HN ALA 87 -14.313 11.015 -3.028 643 HA ALA 87 HA ALA 87 -12.316 12.741 -3.972 644 HB1 ALA 87 HB1 ALA 87 -14.151 13.145 -1.611 645 HB2 ALA 87 HB2 ALA 87 -14.547 13.499 -3.294 646 HB3 ALA 87 HB3 ALA 87 -13.274 14.406 -2.478 647 H ARG 88 HN ARG 88 -12.648 11.003 -0.924 648 HA ARG 88 HA ARG 88 -10.424 12.290 0.330 649 HB2 ARG 88 HB2 ARG 88 -12.236 11.293 1.653 650 HB3 ARG 88 HB1 ARG 88 -11.816 9.701 1.035 651 HG2 ARG 88 HG2 ARG 88 -9.797 9.648 2.225 652 HG3 ARG 88 HG1 ARG 88 -9.843 11.383 2.544 653 HD2 ARG 88 HD2 ARG 88 -10.402 10.112 4.541 654 HD3 ARG 88 HD1 ARG 88 -11.772 11.074 3.996 655 HE ARG 88 HE ARG 88 -12.433 8.803 2.893 656 HH11 ARG 88 HH11 ARG 88 -10.970 9.296 6.025 657 HH12 ARG 88 HH12 ARG 88 -11.713 7.901 6.740 658 HH21 ARG 88 HH21 ARG 88 -13.427 6.955 3.838 659 HH22 ARG 88 HH22 ARG 88 -13.093 6.560 5.502 660 H PHE 89 HN PHE 89 -10.881 9.415 -1.608 661 HA PHE 89 HA PHE 89 -8.397 8.195 -1.046 662 HB2 PHE 89 HB2 PHE 89 -10.337 7.018 -2.082 663 HB3 PHE 89 HB1 PHE 89 -10.058 7.932 -3.563 664 HD1 PHE 89 HD2 PHE 89 -8.258 5.666 -1.199 665 HD2 PHE 89 HD1 PHE 89 -8.748 7.004 -5.212 666 HE1 PHE 89 HE2 PHE 89 -6.672 3.954 -1.962 667 HE2 PHE 89 HE1 PHE 89 -7.167 5.295 -5.977 668 HZ PHE 89 HZ PHE 89 -6.128 3.751 -4.327 669 H GLU 90 HN GLU 90 -9.431 10.542 -3.468 670 HA GLU 90 HA GLU 90 -6.979 10.611 -4.901 671 HB2 GLU 90 HB2 GLU 90 -9.138 12.710 -4.581 672 HB3 GLU 90 HB1 GLU 90 -7.795 12.839 -5.709 673 HG2 GLU 90 HG2 GLU 90 -9.988 10.778 -5.736 674 HG3 GLU 90 HG1 GLU 90 -9.752 12.095 -6.880 675 H ARG 91 HN ARG 91 -8.260 12.372 -2.159 676 HA ARG 91 HA ARG 91 -6.124 14.160 -1.757 677 HB2 ARG 91 HB2 ARG 91 -8.224 14.555 -0.686 678 HB3 ARG 91 HB1 ARG 91 -8.208 12.975 0.074 679 HG2 ARG 91 HG2 ARG 91 -7.760 14.645 1.718 680 HG3 ARG 91 HG1 ARG 91 -6.303 13.692 1.453 681 HD2 ARG 91 HD2 ARG 91 -5.397 15.456 0.033 682 HD3 ARG 91 HD1 ARG 91 -6.865 16.409 0.273 683 HE ARG 91 HE ARG 91 -5.792 15.734 2.780 684 HH11 ARG 91 HH11 ARG 91 -5.091 17.788 0.033 685 HH12 ARG 91 HH12 ARG 91 -4.207 18.947 0.970 686 HH21 ARG 91 HH21 ARG 91 -4.645 17.245 4.013 687 HH22 ARG 91 HH22 ARG 91 -3.967 18.648 3.247 688 H TYR 92 HN TYR 92 -6.635 10.817 -0.856 689 HA TYR 92 HA TYR 92 -4.477 10.650 1.007 690 HB2 TYR 92 HB2 TYR 92 -6.378 9.089 1.076 691 HB3 TYR 92 HB1 TYR 92 -5.938 8.476 -0.512 692 HD1 TYR 92 HD1 TYR 92 -4.711 8.760 2.987 693 HD2 TYR 92 HD2 TYR 92 -4.422 6.696 -0.726 694 HE1 TYR 92 HE1 TYR 92 -3.292 7.056 4.047 695 HE2 TYR 92 HE2 TYR 92 -3.000 4.990 0.328 696 HH TYR 92 HH TYR 92 -1.547 4.734 2.256 697 H LEU 93 HN LEU 93 -4.886 9.932 -2.426 698 HA LEU 93 HA LEU 93 -2.361 8.750 -2.838 699 HB2 LEU 93 HB2 LEU 93 -4.108 10.262 -4.788 700 HB3 LEU 93 HB1 LEU 93 -2.728 9.274 -5.234 701 HG LEU 93 HG LEU 93 -5.290 8.288 -3.970 702 HD11 LEU 93 HD11 LEU 93 -4.160 7.930 -6.741 703 HD12 LEU 93 HD12 LEU 93 -5.558 8.911 -6.298 704 HD13 LEU 93 HD13 LEU 93 -5.617 7.158 -6.116 705 HD21 LEU 93 HD21 LEU 93 -4.346 6.034 -4.400 706 HD22 LEU 93 HD22 LEU 93 -3.463 6.939 -3.174 707 HD23 LEU 93 HD23 LEU 93 -2.806 6.792 -4.804 708 H ALA 94 HN ALA 94 -3.462 12.077 -2.854 709 HA ALA 94 HA ALA 94 -1.089 13.226 -3.863 710 HB1 ALA 94 HB1 ALA 94 -3.159 14.469 -2.060 711 HB2 ALA 94 HB2 ALA 94 -3.248 14.393 -3.819 712 HB3 ALA 94 HB3 ALA 94 -1.973 15.331 -3.040 713 H ALA 95 HN ALA 95 -1.946 11.993 -0.754 714 HA ALA 95 HA ALA 95 0.137 13.517 0.608 715 HB1 ALA 95 HB1 ALA 95 -2.050 13.326 1.671 716 HB2 ALA 95 HB2 ALA 95 -0.792 12.576 2.655 717 HB3 ALA 95 HB3 ALA 95 -1.885 11.570 1.703 718 H LEU 96 HN LEU 96 -0.028 10.687 -1.087 719 HA LEU 96 HA LEU 96 1.209 8.741 0.374 720 HB2 LEU 96 HB2 LEU 96 1.585 9.416 -2.532 721 HB3 LEU 96 HB1 LEU 96 2.270 7.984 -1.793 722 HG LEU 96 HG LEU 96 -0.675 8.611 -1.891 723 HD11 LEU 96 HD11 LEU 96 0.946 6.684 -3.545 724 HD12 LEU 96 HD12 LEU 96 0.253 8.203 -4.117 725 HD13 LEU 96 HD13 LEU 96 -0.806 6.889 -3.601 726 HD21 LEU 96 HD21 LEU 96 -0.896 6.217 -1.266 727 HD22 LEU 96 HD22 LEU 96 -0.161 7.207 -0.009 728 HD23 LEU 96 HD23 LEU 96 0.847 6.163 -1.009 729 HA PRO 97 HA PRO 97 5.663 10.487 -0.886 730 HB2 PRO 97 HB2 PRO 97 5.577 13.285 -0.765 731 HB3 PRO 97 HB1 PRO 97 5.747 12.313 -2.227 732 HG2 PRO 97 HG2 PRO 97 3.301 13.554 -1.046 733 HG3 PRO 97 HG1 PRO 97 3.761 13.378 -2.750 734 HD2 PRO 97 HD2 PRO 97 1.919 11.790 -1.667 735 HD3 PRO 97 HD1 PRO 97 3.108 11.141 -2.819 736 H ARG 98 HN ARG 98 3.460 12.381 1.128 737 HA ARG 98 HA ARG 98 5.470 12.995 3.072 738 HB2 ARG 98 HB2 ARG 98 2.467 13.277 3.249 739 HB3 ARG 98 HB1 ARG 98 3.620 13.958 4.389 740 HG2 ARG 98 HG2 ARG 98 4.620 15.229 2.474 741 HG3 ARG 98 HG1 ARG 98 3.263 14.676 1.492 742 HD2 ARG 98 HD2 ARG 98 3.090 16.329 4.007 743 HD3 ARG 98 HD1 ARG 98 2.865 16.916 2.362 744 HE ARG 98 HE ARG 98 1.005 15.301 3.926 745 HH11 ARG 98 HH11 ARG 98 1.796 16.735 0.828 746 HH12 ARG 98 HH12 ARG 98 0.149 16.784 0.284 747 HH21 ARG 98 HH21 ARG 98 -1.164 15.358 3.204 748 HH22 ARG 98 HH22 ARG 98 -1.529 15.987 1.626 749 H LYS 99 HN LYS 99 2.923 10.579 2.818 750 HA LYS 99 HA LYS 99 3.287 9.618 5.493 751 HB2 LYS 99 HB2 LYS 99 1.752 8.669 3.110 752 HB3 LYS 99 HB1 LYS 99 1.987 7.590 4.475 753 HG2 LYS 99 HG2 LYS 99 0.939 9.206 5.958 754 HG3 LYS 99 HG1 LYS 99 0.748 10.327 4.612 755 HD2 LYS 99 HD2 LYS 99 -0.797 8.869 3.523 756 HD3 LYS 99 HD1 LYS 99 -0.463 7.570 4.672 757 HE2 LYS 99 HE2 LYS 99 -2.602 8.721 5.121 758 HE3 LYS 99 HE1 LYS 99 -1.467 8.834 6.463 759 HZ1 LYS 99 HZ1 LYS 99 -0.953 11.071 5.868 760 HZ2 LYS 99 HZ2 LYS 99 -2.641 10.937 5.942 761 HZ3 LYS 99 HZ3 LYS 99 -1.856 10.971 4.444 762 H LEU 100 HN LEU 100 4.471 8.693 2.312 763 HA LEU 100 HA LEU 100 5.831 6.361 3.074 764 HB2 LEU 100 HB2 LEU 100 6.021 8.272 0.809 765 HB3 LEU 100 HB1 LEU 100 7.385 7.209 1.069 766 HG LEU 100 HG LEU 100 5.758 6.384 -0.626 767 HD11 LEU 100 HD11 LEU 100 5.701 4.093 0.166 768 HD12 LEU 100 HD12 LEU 100 6.062 4.635 1.801 769 HD13 LEU 100 HD13 LEU 100 7.253 4.849 0.520 770 HD21 LEU 100 HD21 LEU 100 3.686 7.145 0.366 771 HD22 LEU 100 HD22 LEU 100 3.933 6.083 1.751 772 HD23 LEU 100 HD23 LEU 100 3.651 5.395 0.151 773 H ALA 101 HN ALA 101 6.886 9.741 2.953 774 HA ALA 101 HA ALA 101 9.546 9.305 3.766 775 HB1 ALA 101 HB1 ALA 101 8.789 11.395 2.746 776 HB2 ALA 101 HB2 ALA 101 9.583 11.688 4.293 777 HB3 ALA 101 HB3 ALA 101 7.824 11.747 4.181 778 H ALA 102 HN ALA 102 6.560 9.690 5.537 779 HA ALA 102 HA ALA 102 7.702 10.057 8.108 780 HB1 ALA 102 HB1 ALA 102 5.395 10.690 7.619 781 HB2 ALA 102 HB2 ALA 102 5.465 9.553 8.966 782 HB3 ALA 102 HB3 ALA 102 4.975 8.996 7.364 783 H TRP 103 HN TRP 103 6.515 7.206 6.363 784 HA TRP 103 HA TRP 103 6.977 5.369 8.453 785 HB2 TRP 103 HB2 TRP 103 6.743 4.988 5.463 786 HB3 TRP 103 HB1 TRP 103 6.947 3.640 6.583 787 HD1 TRP 103 HD1 TRP 103 4.944 4.702 8.867 788 HE1 TRP 103 HE1 TRP 103 2.412 4.614 8.436 789 HE3 TRP 103 HE3 TRP 103 5.006 4.467 3.768 790 HZ2 TRP 103 HZ2 TRP 103 0.672 4.472 6.217 791 HZ3 TRP 103 HZ3 TRP 103 2.865 4.353 2.566 792 HH2 TRP 103 HH2 TRP 103 0.742 4.354 3.768 793 H GLU 104 HN GLU 104 9.056 6.651 5.928 794 HA GLU 104 HA GLU 104 11.221 4.897 6.204 795 HB2 GLU 104 HB2 GLU 104 11.294 7.865 5.639 796 HB3 GLU 104 HB1 GLU 104 12.632 6.759 5.399 797 HG2 GLU 104 HG2 GLU 104 11.209 5.527 3.758 798 HG3 GLU 104 HG1 GLU 104 10.027 6.832 3.906 799 H ASN 105 HN ASN 105 10.540 7.944 7.851 800 HA ASN 105 HA ASN 105 12.849 7.910 9.484 801 HB2 ASN 105 HB2 ASN 105 11.552 9.953 8.916 802 HB3 ASN 105 HB1 ASN 105 10.238 9.373 9.932 803 HD21 ASN 105 HD21 ASN 105 13.692 9.132 10.636 804 HD22 ASN 105 HD22 ASN 105 13.649 10.164 12.025 805 H ALA 106 HN ALA 106 9.545 6.794 9.996 806 HA ALA 106 HA ALA 106 9.989 6.387 12.822 807 HB1 ALA 106 HB1 ALA 106 7.668 5.676 12.895 808 HB2 ALA 106 HB2 ALA 106 7.601 5.664 11.134 809 HB3 ALA 106 HB3 ALA 106 7.826 7.185 11.997 810 H ARG 107 HN ARG 107 9.459 4.293 9.995 811 HA ARG 107 HA ARG 107 9.656 1.967 11.742 812 HB2 ARG 107 HB2 ARG 107 8.939 2.155 8.819 813 HB3 ARG 107 HB1 ARG 107 8.961 0.663 9.745 814 HG2 ARG 107 HG2 ARG 107 7.152 3.035 10.173 815 HG3 ARG 107 HG1 ARG 107 6.700 1.452 9.544 816 HD2 ARG 107 HD2 ARG 107 7.621 2.108 12.347 817 HD3 ARG 107 HD1 ARG 107 6.015 1.587 11.848 818 HE ARG 107 HE ARG 107 7.963 -0.346 11.122 819 HH11 ARG 107 HH11 ARG 107 6.220 0.903 13.890 820 HH12 ARG 107 HH12 ARG 107 6.329 -0.577 14.788 821 HH21 ARG 107 HH21 ARG 107 8.126 -2.289 12.309 822 HH22 ARG 107 HH22 ARG 107 7.432 -2.388 13.897 823 H GLY 108 HN GLY 108 11.868 3.773 10.176 824 HA2 GLY 108 HA2 GLY 108 14.133 3.377 9.903 825 HA3 GLY 108 HA1 GLY 108 13.863 1.748 10.510 826 H VAL 109 HN VAL 109 12.805 3.574 7.655 827 HA VAL 109 HA VAL 109 13.801 1.371 5.978 828 HB VAL 109 HB VAL 109 11.125 2.749 5.617 829 HG11 VAL 109 HG11 VAL 109 12.420 0.563 3.998 830 HG12 VAL 109 HG12 VAL 109 12.128 2.220 3.475 831 HG13 VAL 109 HG13 VAL 109 10.769 1.143 3.793 832 HG21 VAL 109 HG21 VAL 109 11.756 -0.092 6.400 833 HG22 VAL 109 HG22 VAL 109 10.148 0.543 6.054 834 HG23 VAL 109 HG23 VAL 109 11.053 1.146 7.442 835 H ASP 110 HN ASP 110 14.538 2.020 3.901 836 HA ASP 110 HA ASP 110 14.479 4.909 3.373 837 HB2 ASP 110 HB2 ASP 110 16.683 4.244 4.416 838 HB3 ASP 110 HB1 ASP 110 16.971 3.235 2.993 839 H PHE 111 HN PHE 111 13.213 4.940 1.627 840 HA PHE 111 HA PHE 111 13.137 2.802 -0.263 841 HB2 PHE 111 HB2 PHE 111 11.860 5.522 -0.159 842 HB3 PHE 111 HB1 PHE 111 11.671 4.467 -1.555 843 HD1 PHE 111 HD2 PHE 111 11.157 4.621 2.114 844 HD2 PHE 111 HD1 PHE 111 10.053 2.785 -1.557 845 HE1 PHE 111 HE2 PHE 111 9.327 3.449 3.260 846 HE2 PHE 111 HE1 PHE 111 8.221 1.608 -0.421 847 HZ PHE 111 HZ PHE 111 7.854 1.936 1.993 848 H GLY 112 HN GLY 112 15.087 5.604 0.031 849 HA2 GLY 112 HA2 GLY 112 15.682 6.018 -2.712 850 HA3 GLY 112 HA1 GLY 112 16.677 6.524 -1.353 851 H SER 113 HN SER 113 17.400 4.243 -0.162 852 HA SER 113 HA SER 113 19.185 3.047 -2.110 853 HB2 SER 113 HB2 SER 113 19.911 3.744 0.207 854 HB3 SER 113 HB1 SER 113 18.934 2.421 0.842 855 HG SER 113 HG SER 113 20.879 1.520 0.633 856 H ARG 114 HN ARG 114 16.107 2.480 -1.043 857 HA ARG 114 HA ARG 114 14.599 0.818 -1.336 858 HB2 ARG 114 HB2 ARG 114 16.776 -0.377 -3.059 859 HB3 ARG 114 HB1 ARG 114 15.118 -0.968 -2.979 860 HG2 ARG 114 HG2 ARG 114 14.281 1.085 -3.895 861 HG3 ARG 114 HG1 ARG 114 15.886 1.814 -3.830 862 HD2 ARG 114 HD2 ARG 114 15.086 -0.565 -5.501 863 HD3 ARG 114 HD1 ARG 114 15.327 1.079 -6.091 864 HE ARG 114 HE ARG 114 17.694 0.551 -4.948 865 HH11 ARG 114 HH11 ARG 114 15.733 -1.218 -7.244 866 HH12 ARG 114 HH12 ARG 114 17.083 -2.029 -7.969 867 HH21 ARG 114 HH21 ARG 114 19.479 -0.502 -5.895 868 HH22 ARG 114 HH22 ARG 114 19.228 -1.602 -7.214 869 H THR 115 HN THR 115 16.044 0.793 0.974 870 HA THR 115 HA THR 115 16.301 -2.079 1.551 871 HB THR 115 HB THR 115 18.176 -1.406 3.150 872 HG1 THR 115 HG1 THR 115 17.562 0.973 2.464 873 HG21 THR 115 HG21 THR 115 18.671 -1.169 0.180 874 HG22 THR 115 HG22 THR 115 18.603 -2.672 1.102 875 HG23 THR 115 HG23 THR 115 19.896 -1.510 1.402 876 H GLN 116 HN GLN 116 16.127 -2.575 3.871 877 HA GLN 116 HA GLN 116 14.815 -0.482 5.447 878 HB2 GLN 116 HB2 GLN 116 13.081 -2.004 6.183 879 HB3 GLN 116 HB1 GLN 116 13.070 -1.944 4.427 880 HG2 GLN 116 HG2 GLN 116 14.400 -4.056 4.425 881 HG3 GLN 116 HG1 GLN 116 14.164 -4.136 6.170 882 HE21 GLN 116 HE21 GLN 116 12.974 -6.015 6.127 883 HE22 GLN 116 HE22 GLN 116 11.388 -6.113 5.451 884 H ALA 117 HN ALA 117 15.146 -0.651 7.687 885 HA ALA 117 HA ALA 117 17.371 -2.406 8.425 886 HB1 ALA 117 HB1 ALA 117 17.607 -0.975 10.387 887 HB2 ALA 117 HB2 ALA 117 16.162 -0.081 9.920 888 HB3 ALA 117 HB3 ALA 117 17.603 -0.015 8.907 889 H ASP 118 HN ASP 118 14.605 -3.320 8.068 890 HA ASP 118 HA ASP 118 14.164 -4.417 10.763 891 HB2 ASP 118 HB2 ASP 118 12.437 -2.666 9.908 892 HB3 ASP 118 HB1 ASP 118 11.912 -3.946 8.817 893 H ALA 119 HN ALA 119 13.115 -6.526 10.752 894 HA ALA 119 HA ALA 119 14.137 -8.265 8.728 895 HB1 ALA 119 HB1 ALA 119 12.153 -8.862 10.927 896 HB2 ALA 119 HB2 ALA 119 13.906 -8.950 11.090 897 HB3 ALA 119 HB3 ALA 119 13.069 -10.045 9.991 898 H LEU 120 HN LEU 120 11.066 -6.729 9.408 899 HA LEU 120 HA LEU 120 10.030 -7.267 6.824 900 HB2 LEU 120 HB2 LEU 120 9.693 -9.492 7.874 901 HB3 LEU 120 HB1 LEU 120 8.757 -8.733 9.140 902 HG LEU 120 HG LEU 120 7.092 -8.029 7.442 903 HD11 LEU 120 HD11 LEU 120 7.168 -9.112 5.234 904 HD12 LEU 120 HD12 LEU 120 8.792 -9.695 5.603 905 HD13 LEU 120 HD13 LEU 120 8.482 -7.964 5.482 906 HD21 LEU 120 HD21 LEU 120 6.148 -10.266 7.090 907 HD22 LEU 120 HD22 LEU 120 6.729 -10.036 8.737 908 HD23 LEU 120 HD23 LEU 120 7.682 -10.977 7.592 909 H VAL 121 HN VAL 121 8.699 -5.560 6.384 910 HA VAL 121 HA VAL 121 7.688 -4.112 8.728 911 HB VAL 121 HB VAL 121 9.308 -2.760 7.607 912 HG11 VAL 121 HG11 VAL 121 9.288 -3.820 5.419 913 HG12 VAL 121 HG12 VAL 121 9.127 -2.068 5.283 914 HG13 VAL 121 HG13 VAL 121 7.714 -3.100 5.079 915 HG21 VAL 121 HG21 VAL 121 7.401 -1.569 8.495 916 HG22 VAL 121 HG22 VAL 121 6.525 -1.787 6.979 917 HG23 VAL 121 HG23 VAL 121 7.974 -0.781 7.025 918 H LEU 122 HN LEU 122 5.772 -5.023 8.967 919 HA LEU 122 HA LEU 122 3.822 -4.845 6.778 920 HB2 LEU 122 HB2 LEU 122 3.483 -6.183 9.464 921 HB3 LEU 122 HB1 LEU 122 2.462 -6.368 8.052 922 HG LEU 122 HG LEU 122 5.298 -7.377 8.331 923 HD11 LEU 122 HD11 LEU 122 2.660 -8.831 8.255 924 HD12 LEU 122 HD12 LEU 122 3.727 -8.665 9.649 925 HD13 LEU 122 HD13 LEU 122 4.250 -9.591 8.244 926 HD21 LEU 122 HD21 LEU 122 3.348 -7.718 6.060 927 HD22 LEU 122 HD22 LEU 122 4.943 -8.457 6.185 928 HD23 LEU 122 HD23 LEU 122 4.793 -6.707 6.033 929 H LEU 123 HN LEU 123 1.999 -3.515 7.000 930 HA LEU 123 HA LEU 123 2.012 -1.827 9.404 931 HB2 LEU 123 HB2 LEU 123 1.622 -0.824 6.582 932 HB3 LEU 123 HB1 LEU 123 1.531 0.145 8.039 933 HG LEU 123 HG LEU 123 3.997 -1.161 6.898 934 HD11 LEU 123 HD11 LEU 123 3.252 0.851 5.722 935 HD12 LEU 123 HD12 LEU 123 4.766 1.119 6.586 936 HD13 LEU 123 HD13 LEU 123 3.252 1.736 7.248 937 HD21 LEU 123 HD21 LEU 123 3.695 0.490 9.403 938 HD22 LEU 123 HD22 LEU 123 5.219 -0.048 8.697 939 HD23 LEU 123 HD23 LEU 123 4.079 -1.231 9.334 940 H GLY 124 HN GLY 124 0.188 -2.329 10.387 941 HA2 GLY 124 HA2 GLY 124 -2.231 -2.709 8.745 942 HA3 GLY 124 HA1 GLY 124 -1.956 -3.479 10.299 943 H GLY 125 HN GLY 125 -4.275 -2.053 9.724 944 HA2 GLY 125 HA2 GLY 125 -5.644 -0.612 10.879 945 HA3 GLY 125 HA1 GLY 125 -4.298 -0.290 11.965 946 H LEU 126 HN LEU 126 -3.998 0.216 8.525 947 HA LEU 126 HA LEU 126 -3.444 2.996 8.954 948 HB2 LEU 126 HB2 LEU 126 -3.422 1.188 6.581 949 HB3 LEU 126 HB1 LEU 126 -3.479 2.922 6.317 950 HG LEU 126 HG LEU 126 -1.384 3.165 7.612 951 HD11 LEU 126 HD11 LEU 126 -1.294 0.154 7.563 952 HD12 LEU 126 HD12 LEU 126 -1.656 1.127 8.989 953 HD13 LEU 126 HD13 LEU 126 -0.076 1.250 8.220 954 HD21 LEU 126 HD21 LEU 126 -1.259 1.239 5.295 955 HD22 LEU 126 HD22 LEU 126 0.079 2.218 5.897 956 HD23 LEU 126 HD23 LEU 126 -1.333 2.998 5.189 957 H ASP 127 HN ASP 127 -4.544 4.754 8.181 958 HA ASP 127 HA ASP 127 -7.352 4.309 7.394 959 HB2 ASP 127 HB2 ASP 127 -6.283 6.574 9.116 960 HB3 ASP 127 HB1 ASP 127 -7.952 6.384 8.588 961 H PHE 128 HN PHE 128 -8.219 6.429 6.341 962 HA PHE 128 HA PHE 128 -6.198 7.208 4.358 963 HB2 PHE 128 HB2 PHE 128 -9.206 7.029 4.169 964 HB3 PHE 128 HB1 PHE 128 -8.212 7.792 2.933 965 HD1 PHE 128 HD2 PHE 128 -9.171 4.626 4.491 966 HD2 PHE 128 HD1 PHE 128 -6.797 6.472 1.482 967 HE1 PHE 128 HE2 PHE 128 -8.805 2.436 3.447 968 HE2 PHE 128 HE1 PHE 128 -6.431 4.281 0.425 969 HZ PHE 128 HZ PHE 128 -7.435 2.256 1.409 970 H GLU 129 HN GLU 129 -6.284 8.528 6.837 971 HA GLU 129 HA GLU 129 -7.618 11.059 6.371 972 HB2 GLU 129 HB2 GLU 129 -7.528 10.131 8.656 973 HB3 GLU 129 HB1 GLU 129 -5.771 10.217 8.616 974 HG2 GLU 129 HG2 GLU 129 -6.791 12.065 9.871 975 HG3 GLU 129 HG1 GLU 129 -5.837 12.615 8.496 976 H ALA 130 HN ALA 130 -6.727 12.735 5.423 977 HA ALA 130 HA ALA 130 -3.857 13.126 5.397 978 HB1 ALA 130 HB1 ALA 130 -3.812 13.351 2.918 979 HB2 ALA 130 HB2 ALA 130 -5.445 12.683 2.873 980 HB3 ALA 130 HB3 ALA 130 -4.110 11.704 3.476 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -14.820 -15.802 8.540 2 H2 GLY 1 HT2 GLY 1 -14.269 -14.225 8.296 3 H3 GLY 1 HT3 GLY 1 -15.331 -14.930 7.186 4 HA2 GLY 1 HA1 GLY 1 -17.078 -15.004 8.831 5 HA3 GLY 1 HA2 GLY 1 -15.974 -14.309 10.009 6 H ALA 2 HN ALA 2 -15.862 -12.171 10.187 7 HA ALA 2 HA ALA 2 -17.850 -10.582 8.995 8 HB1 ALA 2 HB1 ALA 2 -16.909 -10.150 11.222 9 HB2 ALA 2 HB2 ALA 2 -16.842 -8.724 10.186 10 HB3 ALA 2 HB3 ALA 2 -15.385 -9.675 10.474 11 H MET 3 HN MET 3 -14.397 -10.911 8.315 12 HA MET 3 HA MET 3 -14.553 -8.845 6.271 13 HB2 MET 3 HB2 MET 3 -12.143 -9.136 6.033 14 HB3 MET 3 HB1 MET 3 -12.567 -8.940 7.727 15 HG2 MET 3 HG2 MET 3 -12.418 -11.399 7.998 16 HG3 MET 3 HG1 MET 3 -11.876 -11.514 6.326 17 HE1 MET 3 HE1 MET 3 -8.467 -9.577 6.454 18 HE2 MET 3 HE2 MET 3 -10.048 -8.900 6.070 19 HE3 MET 3 HE3 MET 3 -9.589 -10.479 5.437 20 H GLY 4 HN GLY 4 -15.780 -11.694 6.204 21 HA2 GLY 4 HA2 GLY 4 -14.840 -12.281 3.465 22 HA3 GLY 4 HA1 GLY 4 -15.207 -13.559 4.615 23 H MET 5 HN MET 5 -17.246 -10.887 4.922 24 HA MET 5 HA MET 5 -19.314 -12.263 3.340 25 HB2 MET 5 HB2 MET 5 -20.977 -11.480 4.937 26 HB3 MET 5 HB1 MET 5 -19.738 -12.416 5.757 27 HG2 MET 5 HG2 MET 5 -18.669 -10.299 6.465 28 HG3 MET 5 HG1 MET 5 -20.013 -9.418 5.736 29 HE1 MET 5 HE1 MET 5 -20.599 -8.176 7.995 30 HE2 MET 5 HE2 MET 5 -19.205 -8.958 8.739 31 HE3 MET 5 HE3 MET 5 -20.774 -9.001 9.543 32 H SER 6 HN SER 6 -17.419 -10.157 2.573 33 HA SER 6 HA SER 6 -19.398 -8.291 1.502 34 HB2 SER 6 HB2 SER 6 -16.748 -7.426 2.690 35 HB3 SER 6 HB1 SER 6 -17.947 -6.372 1.939 36 HG SER 6 HG SER 6 -19.419 -7.120 3.610 37 HA PRO 7 HA PRO 7 -16.252 -10.108 -1.514 38 HB2 PRO 7 HB2 PRO 7 -18.606 -10.852 -3.092 39 HB3 PRO 7 HB1 PRO 7 -17.258 -11.853 -2.560 40 HG2 PRO 7 HG2 PRO 7 -19.727 -12.109 -1.519 41 HG3 PRO 7 HG1 PRO 7 -18.260 -12.380 -0.558 42 HD2 PRO 7 HD2 PRO 7 -20.064 -9.985 -0.641 43 HD3 PRO 7 HD1 PRO 7 -19.291 -10.762 0.758 44 H ASP 8 HN ASP 8 -19.267 -8.365 -2.088 45 HA ASP 8 HA ASP 8 -18.617 -7.253 -4.585 46 HB2 ASP 8 HB2 ASP 8 -20.893 -7.212 -3.849 47 HB3 ASP 8 HB1 ASP 8 -20.470 -6.356 -2.374 48 H THR 9 HN THR 9 -18.352 -5.884 -1.330 49 HA THR 9 HA THR 9 -17.154 -3.457 -2.004 50 HB THR 9 HB THR 9 -16.744 -5.058 0.527 51 HG1 THR 9 HG1 THR 9 -18.550 -3.171 0.895 52 HG21 THR 9 HG21 THR 9 -16.370 -2.888 1.580 53 HG22 THR 9 HG22 THR 9 -16.580 -2.085 0.023 54 HG23 THR 9 HG23 THR 9 -15.206 -3.160 0.284 55 H ALA 10 HN ALA 10 -15.709 -6.556 -1.117 56 HA ALA 10 HA ALA 10 -13.032 -5.649 -1.092 57 HB1 ALA 10 HB1 ALA 10 -12.415 -7.969 -0.956 58 HB2 ALA 10 HB2 ALA 10 -14.014 -8.466 -1.509 59 HB3 ALA 10 HB3 ALA 10 -13.827 -7.686 0.061 60 H ARG 11 HN ARG 11 -15.067 -7.077 -3.571 61 HA ARG 11 HA ARG 11 -13.054 -7.561 -5.485 62 HB2 ARG 11 HB2 ARG 11 -15.290 -8.586 -5.585 63 HB3 ARG 11 HB1 ARG 11 -15.998 -7.011 -5.907 64 HG2 ARG 11 HG2 ARG 11 -14.584 -6.921 -7.986 65 HG3 ARG 11 HG1 ARG 11 -14.172 -8.610 -7.681 66 HD2 ARG 11 HD2 ARG 11 -16.917 -7.468 -8.170 67 HD3 ARG 11 HD1 ARG 11 -15.998 -8.515 -9.247 68 HE ARG 11 HE ARG 11 -16.187 -10.081 -7.124 69 HH11 ARG 11 HH11 ARG 11 -18.630 -8.082 -8.650 70 HH12 ARG 11 HH12 ARG 11 -19.947 -9.103 -8.169 71 HH21 ARG 11 HH21 ARG 11 -17.937 -11.432 -6.496 72 HH22 ARG 11 HH22 ARG 11 -19.557 -10.991 -6.937 73 H ARG 12 HN ARG 12 -15.236 -4.823 -4.966 74 HA ARG 12 HA ARG 12 -14.442 -3.394 -7.270 75 HB2 ARG 12 HB2 ARG 12 -16.577 -3.078 -5.987 76 HB3 ARG 12 HB1 ARG 12 -15.645 -2.259 -4.745 77 HG2 ARG 12 HG2 ARG 12 -15.058 -0.494 -6.241 78 HG3 ARG 12 HG1 ARG 12 -15.755 -1.358 -7.613 79 HD2 ARG 12 HD2 ARG 12 -17.971 -1.169 -6.636 80 HD3 ARG 12 HD1 ARG 12 -17.298 -0.380 -5.212 81 HE ARG 12 HE ARG 12 -16.496 1.259 -7.168 82 HH11 ARG 12 HH11 ARG 12 -19.622 -0.197 -6.550 83 HH12 ARG 12 HH12 ARG 12 -20.515 1.166 -7.144 84 HH21 ARG 12 HH21 ARG 12 -17.670 3.045 -7.966 85 HH22 ARG 12 HH22 ARG 12 -19.405 3.009 -7.951 86 H PHE 13 HN PHE 13 -13.361 -3.333 -3.911 87 HA PHE 13 HA PHE 13 -11.652 -1.100 -4.147 88 HB2 PHE 13 HB2 PHE 13 -12.362 -2.062 -1.972 89 HB3 PHE 13 HB1 PHE 13 -11.374 -3.478 -2.291 90 HD1 PHE 13 HD1 PHE 13 -11.313 0.109 -1.489 91 HD2 PHE 13 HD2 PHE 13 -8.997 -3.423 -2.016 92 HE1 PHE 13 HE1 PHE 13 -9.379 1.219 -0.446 93 HE2 PHE 13 HE2 PHE 13 -7.065 -2.322 -0.976 94 HZ PHE 13 HZ PHE 13 -7.252 0.001 -0.188 95 H ASP 14 HN ASP 14 -11.117 -4.564 -4.597 96 HA ASP 14 HA ASP 14 -8.329 -4.415 -5.016 97 HB2 ASP 14 HB2 ASP 14 -9.147 -6.535 -4.441 98 HB3 ASP 14 HB1 ASP 14 -10.417 -6.476 -5.656 99 H THR 15 HN THR 15 -11.040 -3.973 -7.154 100 HA THR 15 HA THR 15 -9.294 -4.214 -9.476 101 HB THR 15 HB THR 15 -11.513 -5.326 -9.538 102 HG1 THR 15 HG1 THR 15 -11.396 -3.323 -11.549 103 HG21 THR 15 HG21 THR 15 -12.584 -2.508 -9.717 104 HG22 THR 15 HG22 THR 15 -12.863 -3.644 -8.398 105 HG23 THR 15 HG23 THR 15 -13.511 -3.980 -10.002 106 H GLU 16 HN GLU 16 -11.210 -1.702 -7.848 107 HA GLU 16 HA GLU 16 -10.454 0.176 -9.957 108 HB2 GLU 16 HB2 GLU 16 -12.836 -0.085 -9.053 109 HB3 GLU 16 HB1 GLU 16 -12.261 0.782 -7.634 110 HG2 GLU 16 HG2 GLU 16 -13.347 2.289 -9.193 111 HG3 GLU 16 HG1 GLU 16 -11.632 2.674 -9.035 112 H PHE 17 HN PHE 17 -10.058 -0.253 -6.460 113 HA PHE 17 HA PHE 17 -8.769 2.355 -6.263 114 HB2 PHE 17 HB2 PHE 17 -9.577 0.353 -4.150 115 HB3 PHE 17 HB1 PHE 17 -8.763 1.870 -3.802 116 HD1 PHE 17 HD2 PHE 17 -11.818 0.501 -5.434 117 HD2 PHE 17 HD1 PHE 17 -10.024 3.792 -3.407 118 HE1 PHE 17 HE2 PHE 17 -13.994 1.645 -5.361 119 HE2 PHE 17 HE1 PHE 17 -12.198 4.937 -3.336 120 HZ PHE 17 HZ PHE 17 -14.191 3.847 -4.236 121 H ALA 18 HN ALA 18 -7.996 -1.021 -5.440 122 HA ALA 18 HA ALA 18 -5.505 -0.554 -4.325 123 HB1 ALA 18 HB1 ALA 18 -5.070 -2.901 -4.568 124 HB2 ALA 18 HB2 ALA 18 -6.333 -3.045 -5.789 125 HB3 ALA 18 HB3 ALA 18 -6.759 -2.654 -4.124 126 HA PRO 19 HA PRO 19 -3.443 -1.472 -8.677 127 HB2 PRO 19 HB2 PRO 19 -5.528 -0.270 -10.429 128 HB3 PRO 19 HB1 PRO 19 -4.496 -1.683 -10.709 129 HG2 PRO 19 HG2 PRO 19 -7.055 -2.008 -10.128 130 HG3 PRO 19 HG1 PRO 19 -5.831 -3.073 -9.407 131 HD2 PRO 19 HD2 PRO 19 -7.247 -0.725 -8.189 132 HD3 PRO 19 HD1 PRO 19 -6.903 -2.318 -7.484 133 H ARG 20 HN ARG 20 -5.495 1.261 -7.946 134 HA ARG 20 HA ARG 20 -3.942 3.208 -9.342 135 HB2 ARG 20 HB2 ARG 20 -6.317 3.568 -8.789 136 HB3 ARG 20 HB1 ARG 20 -5.917 3.561 -7.077 137 HG2 ARG 20 HG2 ARG 20 -6.213 5.824 -7.821 138 HG3 ARG 20 HG1 ARG 20 -4.512 5.560 -7.431 139 HD2 ARG 20 HD2 ARG 20 -4.762 6.839 -9.501 140 HD3 ARG 20 HD1 ARG 20 -4.003 5.277 -9.802 141 HE ARG 20 HE ARG 20 -6.792 5.068 -10.163 142 HH11 ARG 20 HH11 ARG 20 -3.954 6.450 -11.689 143 HH12 ARG 20 HH12 ARG 20 -4.616 6.349 -13.291 144 HH21 ARG 20 HH21 ARG 20 -7.657 4.925 -12.275 145 HH22 ARG 20 HH22 ARG 20 -6.714 5.484 -13.623 146 H ILE 21 HN ILE 21 -4.069 1.980 -6.051 147 HA ILE 21 HA ILE 21 -2.221 3.814 -4.932 148 HB ILE 21 HB ILE 21 -2.806 0.988 -4.026 149 HG12 ILE 21 HG12 ILE 21 -4.089 3.585 -3.139 150 HG13 ILE 21 HG11 ILE 21 -4.845 2.403 -4.202 151 HG21 ILE 21 HG21 ILE 21 -2.004 1.708 -1.853 152 HG22 ILE 21 HG22 ILE 21 -1.721 3.335 -2.468 153 HG23 ILE 21 HG23 ILE 21 -0.760 1.985 -3.071 154 HD11 ILE 21 HD11 ILE 21 -4.066 1.990 -1.321 155 HD12 ILE 21 HD12 ILE 21 -4.728 0.743 -2.378 156 HD13 ILE 21 HD13 ILE 21 -5.698 2.155 -1.967 157 H ALA 22 HN ALA 22 -1.900 0.514 -6.173 158 HA ALA 22 HA ALA 22 0.837 0.198 -5.675 159 HB1 ALA 22 HB1 ALA 22 -0.837 -1.090 -7.827 160 HB2 ALA 22 HB2 ALA 22 -0.683 -1.659 -6.165 161 HB3 ALA 22 HB3 ALA 22 0.718 -1.671 -7.236 162 H ARG 23 HN ARG 23 -0.872 1.475 -8.488 163 HA ARG 23 HA ARG 23 1.433 1.654 -10.141 164 HB2 ARG 23 HB2 ARG 23 -0.861 1.548 -11.044 165 HB3 ARG 23 HB1 ARG 23 -1.198 3.129 -10.354 166 HG2 ARG 23 HG2 ARG 23 0.494 4.129 -11.785 167 HG3 ARG 23 HG1 ARG 23 0.869 2.544 -12.461 168 HD2 ARG 23 HD2 ARG 23 -1.463 2.379 -13.267 169 HD3 ARG 23 HD1 ARG 23 -1.757 4.012 -12.669 170 HE ARG 23 HE ARG 23 0.440 4.198 -14.321 171 HH11 ARG 23 HH11 ARG 23 -2.910 3.235 -14.643 172 HH12 ARG 23 HH12 ARG 23 -3.006 3.679 -16.318 173 HH21 ARG 23 HH21 ARG 23 0.320 4.778 -16.519 174 HH22 ARG 23 HH22 ARG 23 -1.164 4.549 -17.387 175 H ALA 24 HN ALA 24 -0.331 4.002 -8.153 176 HA ALA 24 HA ALA 24 1.136 6.270 -8.887 177 HB1 ALA 24 HB1 ALA 24 -1.002 6.378 -7.706 178 HB2 ALA 24 HB2 ALA 24 0.247 7.292 -6.860 179 HB3 ALA 24 HB3 ALA 24 -0.241 5.705 -6.265 180 H ILE 25 HN ILE 25 1.611 3.952 -6.251 181 HA ILE 25 HA ILE 25 3.837 5.280 -5.116 182 HB ILE 25 HB ILE 25 2.985 2.385 -4.919 183 HG12 ILE 25 HG12 ILE 25 2.605 4.737 -3.044 184 HG13 ILE 25 HG11 ILE 25 1.352 3.991 -4.029 185 HG21 ILE 25 HG21 ILE 25 5.048 3.903 -3.322 186 HG22 ILE 25 HG22 ILE 25 5.336 2.537 -4.400 187 HG23 ILE 25 HG23 ILE 25 4.425 2.307 -2.907 188 HD11 ILE 25 HD11 ILE 25 2.857 2.665 -1.787 189 HD12 ILE 25 HD12 ILE 25 1.596 1.917 -2.769 190 HD13 ILE 25 HD13 ILE 25 1.204 3.276 -1.715 191 H ALA 26 HN ALA 26 3.522 2.683 -7.495 192 HA ALA 26 HA ALA 26 6.234 2.024 -7.725 193 HB1 ALA 26 HB1 ALA 26 4.464 0.626 -8.641 194 HB2 ALA 26 HB2 ALA 26 5.632 1.052 -9.892 195 HB3 ALA 26 HB3 ALA 26 4.074 1.874 -9.824 196 H ASP 27 HN ASP 27 4.270 4.397 -9.465 197 HA ASP 27 HA ASP 27 6.348 5.228 -11.227 198 HB2 ASP 27 HB2 ASP 27 3.924 5.517 -11.705 199 HB3 ASP 27 HB1 ASP 27 3.835 6.712 -10.419 200 H LEU 28 HN LEU 28 5.259 6.225 -8.071 201 HA LEU 28 HA LEU 28 6.640 8.704 -7.969 202 HB2 LEU 28 HB2 LEU 28 4.735 8.197 -6.517 203 HB3 LEU 28 HB1 LEU 28 5.640 6.901 -5.763 204 HG LEU 28 HG LEU 28 7.271 8.627 -4.937 205 HD11 LEU 28 HD11 LEU 28 6.474 10.956 -4.862 206 HD12 LEU 28 HD12 LEU 28 5.141 10.517 -5.929 207 HD13 LEU 28 HD13 LEU 28 6.805 10.407 -6.503 208 HD21 LEU 28 HD21 LEU 28 5.521 7.662 -3.516 209 HD22 LEU 28 HD22 LEU 28 4.404 8.923 -4.042 210 HD23 LEU 28 HD23 LEU 28 5.838 9.347 -3.107 211 H LEU 29 HN LEU 29 7.447 5.393 -7.141 212 HA LEU 29 HA LEU 29 10.025 6.209 -6.043 213 HB2 LEU 29 HB2 LEU 29 8.848 3.442 -6.324 214 HB3 LEU 29 HB1 LEU 29 10.272 3.878 -5.398 215 HG LEU 29 HG LEU 29 7.445 4.737 -4.795 216 HD11 LEU 29 HD11 LEU 29 7.823 2.379 -4.348 217 HD12 LEU 29 HD12 LEU 29 7.659 3.285 -2.844 218 HD13 LEU 29 HD13 LEU 29 9.254 2.778 -3.398 219 HD21 LEU 29 HD21 LEU 29 10.031 5.278 -3.352 220 HD22 LEU 29 HD22 LEU 29 8.432 5.557 -2.667 221 HD23 LEU 29 HD23 LEU 29 8.951 6.461 -4.088 222 H ASN 30 HN ASN 30 8.987 6.079 -8.986 223 HA ASN 30 HA ASN 30 9.781 5.648 -11.059 224 HB2 ASN 30 HB2 ASN 30 12.396 5.849 -9.564 225 HB3 ASN 30 HB1 ASN 30 12.278 5.781 -11.318 226 HD21 ASN 30 HD21 ASN 30 13.355 7.902 -9.692 227 HD22 ASN 30 HD22 ASN 30 12.413 9.315 -10.023 228 H HIS 31 HN HIS 31 9.061 3.388 -9.468 229 HA HIS 31 HA HIS 31 9.001 1.138 -9.593 230 HB2 HIS 31 HB2 HIS 31 10.556 1.553 -12.151 231 HB3 HIS 31 HB1 HIS 31 9.794 0.041 -11.667 232 HD1 HIS 31 HD1 HIS 31 7.135 0.038 -11.621 233 HD2 HIS 31 HD2 HIS 31 8.893 3.388 -13.343 234 HE1 HIS 31 HE1 HIS 31 5.306 1.176 -12.909 235 HE2 HIS 31 HE2 HIS 31 6.418 3.133 -14.039 236 H ARG 32 HN ARG 32 11.398 2.503 -8.303 237 HA ARG 32 HA ARG 32 13.498 0.571 -8.495 238 HB2 ARG 32 HB2 ARG 32 12.846 2.666 -6.423 239 HB3 ARG 32 HB1 ARG 32 14.207 1.570 -6.246 240 HG2 ARG 32 HG2 ARG 32 15.053 2.419 -8.447 241 HG3 ARG 32 HG1 ARG 32 13.784 3.643 -8.380 242 HD2 ARG 32 HD2 ARG 32 14.685 4.501 -6.301 243 HD3 ARG 32 HD1 ARG 32 15.906 3.229 -6.281 244 HE ARG 32 HE ARG 32 15.852 5.068 -8.553 245 HH11 ARG 32 HH11 ARG 32 17.382 4.031 -5.586 246 HH12 ARG 32 HH12 ARG 32 18.880 4.820 -5.932 247 HH21 ARG 32 HH21 ARG 32 17.825 6.113 -9.018 248 HH22 ARG 32 HH22 ARG 32 19.136 6.005 -7.888 249 H ALA 33 HN ALA 33 10.537 0.830 -6.797 250 HA ALA 33 HA ALA 33 11.047 -1.768 -5.528 251 HB1 ALA 33 HB1 ALA 33 9.180 0.410 -4.594 252 HB2 ALA 33 HB2 ALA 33 10.730 -0.002 -3.860 253 HB3 ALA 33 HB3 ALA 33 9.400 -1.161 -3.824 254 H HIS 34 HN HIS 34 9.448 -3.328 -5.747 255 HA HIS 34 HA HIS 34 7.572 -2.791 -7.946 256 HB2 HIS 34 HB2 HIS 34 9.302 -4.642 -8.179 257 HB3 HIS 34 HB1 HIS 34 8.452 -5.492 -6.892 258 HD1 HIS 34 HD1 HIS 34 8.249 -4.647 -10.505 259 HD2 HIS 34 HD2 HIS 34 5.928 -6.559 -7.631 260 HE1 HIS 34 HE1 HIS 34 6.451 -5.852 -11.782 261 HE2 HIS 34 HE2 HIS 34 5.160 -7.128 -10.036 262 H THR 35 HN THR 35 5.412 -3.094 -7.675 263 HA THR 35 HA THR 35 4.561 -3.605 -4.910 264 HB THR 35 HB THR 35 2.553 -2.235 -5.507 265 HG1 THR 35 HG1 THR 35 3.067 -0.819 -7.450 266 HG21 THR 35 HG21 THR 35 3.684 -0.100 -5.312 267 HG22 THR 35 HG22 THR 35 5.190 -0.813 -5.889 268 HG23 THR 35 HG23 THR 35 4.529 -1.298 -4.329 269 H ASP 36 HN ASP 36 2.921 -5.018 -4.503 270 HA ASP 36 HA ASP 36 1.718 -6.397 -6.803 271 HB2 ASP 36 HB2 ASP 36 3.507 -7.840 -5.972 272 HB3 ASP 36 HB1 ASP 36 2.878 -7.715 -4.333 273 H VAL 37 HN VAL 37 -0.388 -6.187 -6.711 274 HA VAL 37 HA VAL 37 -1.707 -5.516 -4.229 275 HB VAL 37 HB VAL 37 -2.827 -5.901 -7.010 276 HG11 VAL 37 HG11 VAL 37 -4.176 -4.901 -4.504 277 HG12 VAL 37 HG12 VAL 37 -4.533 -6.401 -5.360 278 HG13 VAL 37 HG13 VAL 37 -4.869 -4.846 -6.124 279 HG21 VAL 37 HG21 VAL 37 -1.363 -3.955 -6.788 280 HG22 VAL 37 HG22 VAL 37 -2.307 -3.395 -5.409 281 HG23 VAL 37 HG23 VAL 37 -3.043 -3.467 -7.011 282 H VAL 38 HN VAL 38 -2.024 -7.115 -2.849 283 HA VAL 38 HA VAL 38 -2.801 -9.768 -3.706 284 HB VAL 38 HB VAL 38 -2.746 -8.623 -0.904 285 HG11 VAL 38 HG11 VAL 38 -4.102 -10.620 -1.083 286 HG12 VAL 38 HG12 VAL 38 -2.612 -10.969 -0.207 287 HG13 VAL 38 HG13 VAL 38 -2.783 -11.470 -1.888 288 HG21 VAL 38 HG21 VAL 38 -0.610 -10.150 -2.387 289 HG22 VAL 38 HG22 VAL 38 -0.568 -9.739 -0.672 290 HG23 VAL 38 HG23 VAL 38 -0.535 -8.460 -1.886 291 H GLY 39 HN GLY 39 -4.799 -9.837 -4.562 292 HA2 GLY 39 HA2 GLY 39 -6.880 -8.099 -3.511 293 HA3 GLY 39 HA1 GLY 39 -6.985 -9.102 -4.953 294 H TYR 40 HN TYR 40 -9.153 -9.302 -3.729 295 HA TYR 40 HA TYR 40 -9.285 -11.080 -1.510 296 HB2 TYR 40 HB2 TYR 40 -11.050 -9.395 -2.318 297 HB3 TYR 40 HB1 TYR 40 -11.460 -10.585 -3.549 298 HD1 TYR 40 HD1 TYR 40 -10.961 -10.468 0.169 299 HD2 TYR 40 HD2 TYR 40 -13.269 -11.945 -3.093 300 HE1 TYR 40 HE1 TYR 40 -12.464 -11.605 1.749 301 HE2 TYR 40 HE2 TYR 40 -14.776 -13.080 -1.516 302 HH TYR 40 HH TYR 40 -14.632 -12.522 1.897 303 H GLY 41 HN GLY 41 -8.777 -13.180 -1.588 304 HA2 GLY 41 HA2 GLY 41 -8.622 -14.455 -4.225 305 HA3 GLY 41 HA1 GLY 41 -7.824 -15.008 -2.757 306 H GLY 42 HN GLY 42 -11.048 -14.584 -4.177 307 HA2 GLY 42 HA2 GLY 42 -12.780 -16.112 -4.300 308 HA3 GLY 42 HA1 GLY 42 -11.768 -17.279 -3.459 309 H HIS 43 HN HIS 43 -11.319 -16.543 -1.090 310 HA HIS 43 HA HIS 43 -13.575 -15.176 0.134 311 HB2 HIS 43 HB2 HIS 43 -14.204 -17.618 -0.035 312 HB3 HIS 43 HB1 HIS 43 -12.835 -17.983 1.012 313 HD1 HIS 43 HD1 HIS 43 -16.279 -16.558 1.027 314 HD2 HIS 43 HD2 HIS 43 -13.202 -17.277 3.734 315 HE1 HIS 43 HE1 HIS 43 -17.307 -16.291 3.306 316 HE2 HIS 43 HE2 HIS 43 -15.467 -16.875 4.922 317 H GLY 44 HN GLY 44 -10.429 -16.643 0.282 318 HA2 GLY 44 HA2 GLY 44 -9.835 -15.211 2.775 319 HA3 GLY 44 HA1 GLY 44 -8.875 -16.512 2.091 320 H HIS 45 HN HIS 45 -7.035 -15.145 2.335 321 HA HIS 45 HA HIS 45 -5.405 -13.773 1.571 322 HB2 HIS 45 HB2 HIS 45 -7.099 -13.841 -0.926 323 HB3 HIS 45 HB1 HIS 45 -5.573 -12.970 -0.837 324 HD1 HIS 45 HD1 HIS 45 -4.642 -14.560 -2.700 325 HD2 HIS 45 HD2 HIS 45 -5.643 -16.451 0.864 326 HE1 HIS 45 HE1 HIS 45 -3.590 -16.837 -2.825 327 HE2 HIS 45 HE2 HIS 45 -4.055 -17.887 -0.584 328 HA PRO 46 HA PRO 46 -7.785 -10.124 2.981 329 HB2 PRO 46 HB2 PRO 46 -5.604 -9.055 4.292 330 HB3 PRO 46 HB1 PRO 46 -6.767 -10.171 5.027 331 HG2 PRO 46 HG2 PRO 46 -4.061 -10.729 3.876 332 HG3 PRO 46 HG1 PRO 46 -4.822 -11.401 5.330 333 HD2 PRO 46 HD2 PRO 46 -4.685 -12.785 3.029 334 HD3 PRO 46 HD1 PRO 46 -6.077 -12.924 4.122 335 H THR 47 HN THR 47 -7.995 -8.366 1.762 336 HA THR 47 HA THR 47 -6.279 -7.871 -0.419 337 HB THR 47 HB THR 47 -8.376 -5.996 0.686 338 HG1 THR 47 HG1 THR 47 -8.568 -8.468 -0.583 339 HG21 THR 47 HG21 THR 47 -8.608 -5.338 -1.684 340 HG22 THR 47 HG22 THR 47 -7.291 -6.427 -2.108 341 HG23 THR 47 HG23 THR 47 -6.981 -5.030 -1.078 342 H GLN 48 HN GLN 48 -4.514 -6.698 -0.562 343 HA GLN 48 HA GLN 48 -3.948 -4.370 0.978 344 HB2 GLN 48 HB2 GLN 48 -1.933 -5.357 2.135 345 HB3 GLN 48 HB1 GLN 48 -3.481 -5.888 2.777 346 HG2 GLN 48 HG2 GLN 48 -3.288 -7.972 1.498 347 HG3 GLN 48 HG1 GLN 48 -1.719 -7.441 0.894 348 HE21 GLN 48 HE21 GLN 48 -2.575 -9.744 2.563 349 HE22 GLN 48 HE22 GLN 48 -1.564 -9.682 3.965 350 H VAL 49 HN VAL 49 -1.710 -3.573 0.470 351 HA VAL 49 HA VAL 49 -0.727 -4.787 -2.020 352 HB VAL 49 HB VAL 49 -1.713 -2.590 -2.479 353 HG11 VAL 49 HG11 VAL 49 -1.382 -1.513 -0.330 354 HG12 VAL 49 HG12 VAL 49 -0.672 -0.543 -1.622 355 HG13 VAL 49 HG13 VAL 49 0.364 -1.518 -0.577 356 HG21 VAL 49 HG21 VAL 49 1.295 -2.598 -2.710 357 HG22 VAL 49 HG22 VAL 49 0.186 -1.607 -3.659 358 HG23 VAL 49 HG23 VAL 49 0.167 -3.363 -3.830 359 H ARG 50 HN ARG 50 1.215 -5.608 -1.898 360 HA ARG 50 HA ARG 50 2.915 -4.822 0.356 361 HB2 ARG 50 HB2 ARG 50 4.130 -6.958 -0.086 362 HB3 ARG 50 HB1 ARG 50 2.447 -7.177 0.369 363 HG2 ARG 50 HG2 ARG 50 1.856 -7.541 -1.971 364 HG3 ARG 50 HG1 ARG 50 3.545 -7.305 -2.430 365 HD2 ARG 50 HD2 ARG 50 4.210 -9.248 -1.183 366 HD3 ARG 50 HD1 ARG 50 2.583 -9.440 -0.531 367 HE ARG 50 HE ARG 50 2.120 -9.608 -3.164 368 HH11 ARG 50 HH11 ARG 50 4.576 -11.138 -1.178 369 HH12 ARG 50 HH12 ARG 50 4.626 -12.578 -2.142 370 HH21 ARG 50 HH21 ARG 50 2.191 -11.491 -4.421 371 HH22 ARG 50 HH22 ARG 50 3.268 -12.783 -3.990 372 H ILE 51 HN ILE 51 4.802 -3.866 0.055 373 HA ILE 51 HA ILE 51 5.664 -3.424 -2.722 374 HB ILE 51 HB ILE 51 6.369 -1.733 -0.315 375 HG12 ILE 51 HG12 ILE 51 4.244 -1.262 -2.420 376 HG13 ILE 51 HG11 ILE 51 3.940 -1.662 -0.735 377 HG21 ILE 51 HG21 ILE 51 7.090 -0.102 -1.970 378 HG22 ILE 51 HG22 ILE 51 6.599 -1.183 -3.274 379 HG23 ILE 51 HG23 ILE 51 7.935 -1.632 -2.212 380 HD11 ILE 51 HD11 ILE 51 4.927 0.441 -0.042 381 HD12 ILE 51 HD12 ILE 51 3.625 0.713 -1.197 382 HD13 ILE 51 HD13 ILE 51 5.306 0.832 -1.717 383 H VAL 52 HN VAL 52 7.433 -4.435 -3.303 384 HA VAL 52 HA VAL 52 9.401 -5.215 -1.251 385 HB VAL 52 HB VAL 52 8.840 -6.667 -3.851 386 HG11 VAL 52 HG11 VAL 52 10.485 -7.477 -1.456 387 HG12 VAL 52 HG12 VAL 52 11.111 -6.968 -3.024 388 HG13 VAL 52 HG13 VAL 52 10.185 -8.463 -2.886 389 HG21 VAL 52 HG21 VAL 52 6.903 -6.866 -2.404 390 HG22 VAL 52 HG22 VAL 52 7.931 -7.379 -1.065 391 HG23 VAL 52 HG23 VAL 52 7.763 -8.404 -2.490 392 H ALA 53 HN ALA 53 11.539 -4.701 -1.689 393 HA ALA 53 HA ALA 53 11.986 -3.285 -4.230 394 HB1 ALA 53 HB1 ALA 53 13.225 -2.435 -1.626 395 HB2 ALA 53 HB2 ALA 53 11.737 -1.740 -2.262 396 HB3 ALA 53 HB3 ALA 53 13.243 -1.580 -3.167 397 HA PRO 54 HA PRO 54 15.509 -6.086 -4.130 398 HB2 PRO 54 HB2 PRO 54 15.532 -6.408 -6.876 399 HB3 PRO 54 HB1 PRO 54 14.644 -7.445 -5.752 400 HG2 PRO 54 HG2 PRO 54 13.608 -5.554 -7.679 401 HG3 PRO 54 HG1 PRO 54 12.721 -6.709 -6.676 402 HD2 PRO 54 HD2 PRO 54 13.087 -3.836 -6.305 403 HD3 PRO 54 HD1 PRO 54 11.965 -4.939 -5.485 404 H HIS 55 HN HIS 55 17.601 -5.460 -4.368 405 HA HIS 55 HA HIS 55 18.002 -2.806 -5.522 406 HB2 HIS 55 HB2 HIS 55 20.154 -2.806 -4.227 407 HB3 HIS 55 HB1 HIS 55 18.702 -2.880 -3.243 408 HD1 HIS 55 HD1 HIS 55 21.835 -4.683 -3.991 409 HD2 HIS 55 HD2 HIS 55 18.271 -5.420 -1.987 410 HE1 HIS 55 HE1 HIS 55 22.273 -6.689 -2.547 411 HE2 HIS 55 HE2 HIS 55 20.142 -7.043 -1.254 412 H ALA 56 HN ALA 56 18.075 -3.459 -7.689 413 HA ALA 56 HA ALA 56 19.982 -5.233 -8.759 414 HB1 ALA 56 HB1 ALA 56 18.087 -4.370 -10.053 415 HB2 ALA 56 HB2 ALA 56 19.620 -4.083 -10.874 416 HB3 ALA 56 HB3 ALA 56 18.811 -2.762 -10.034 417 H GLU 57 HN GLU 57 20.070 -1.829 -7.953 418 HA GLU 57 HA GLU 57 22.783 -1.375 -8.688 419 HB2 GLU 57 HB2 GLU 57 21.046 0.041 -6.646 420 HB3 GLU 57 HB1 GLU 57 22.563 0.648 -7.292 421 HG2 GLU 57 HG2 GLU 57 21.636 1.024 -9.412 422 HG3 GLU 57 HG1 GLU 57 20.216 0.037 -9.056 423 H HIS 58 HN HIS 58 24.623 -1.542 -7.422 424 HA HIS 58 HA HIS 58 24.412 -3.420 -5.237 425 HB2 HIS 58 HB2 HIS 58 26.790 -2.161 -6.604 426 HB3 HIS 58 HB1 HIS 58 26.943 -3.214 -5.201 427 HD1 HIS 58 HD1 HIS 58 26.951 -5.677 -5.624 428 HD2 HIS 58 HD2 HIS 58 25.621 -3.508 -8.912 429 HE1 HIS 58 HE1 HIS 58 26.697 -7.351 -7.481 430 HE2 HIS 58 HE2 HIS 58 25.692 -6.047 -9.389 431 H VAL 59 HN VAL 59 23.057 -1.567 -4.245 432 HA VAL 59 HA VAL 59 24.692 0.257 -2.668 433 HB VAL 59 HB VAL 59 21.701 -0.151 -2.483 434 HG11 VAL 59 HG11 VAL 59 23.487 2.137 -1.659 435 HG12 VAL 59 HG12 VAL 59 22.697 0.987 -0.580 436 HG13 VAL 59 HG13 VAL 59 21.729 2.112 -1.531 437 HG21 VAL 59 HG21 VAL 59 22.243 0.454 -4.775 438 HG22 VAL 59 HG22 VAL 59 23.229 1.800 -4.208 439 HG23 VAL 59 HG23 VAL 59 21.484 1.818 -3.952 440 H ARG 60 HN ARG 60 25.814 -1.498 -1.646 441 HA ARG 60 HA ARG 60 24.395 -3.341 0.035 442 HB2 ARG 60 HB2 ARG 60 26.523 -3.948 -1.066 443 HB3 ARG 60 HB1 ARG 60 27.353 -2.713 -0.138 444 HG2 ARG 60 HG2 ARG 60 27.737 -4.935 0.767 445 HG3 ARG 60 HG1 ARG 60 26.894 -3.897 1.913 446 HD2 ARG 60 HD2 ARG 60 24.786 -4.974 1.395 447 HD3 ARG 60 HD1 ARG 60 25.560 -5.947 0.142 448 HE ARG 60 HE ARG 60 26.908 -6.412 2.537 449 HH11 ARG 60 HH11 ARG 60 23.715 -6.957 1.201 450 HH12 ARG 60 HH12 ARG 60 23.449 -8.402 2.120 451 HH21 ARG 60 HH21 ARG 60 26.552 -8.326 3.730 452 HH22 ARG 60 HH22 ARG 60 25.054 -9.183 3.543 453 H GLY 61 HN GLY 61 23.230 -1.605 1.156 454 HA2 GLY 61 HA2 GLY 61 24.799 -0.294 3.262 455 HA3 GLY 61 HA1 GLY 61 23.123 0.059 2.854 456 H TYR 62 HN TYR 62 21.524 -1.649 3.364 457 HA TYR 62 HA TYR 62 22.284 -2.982 5.872 458 HB2 TYR 62 HB2 TYR 62 19.489 -2.402 4.847 459 HB3 TYR 62 HB1 TYR 62 19.920 -2.997 6.449 460 HD1 TYR 62 HD2 TYR 62 21.621 -1.377 7.764 461 HD2 TYR 62 HD1 TYR 62 19.012 -0.161 4.624 462 HE1 TYR 62 HE2 TYR 62 21.728 0.943 8.577 463 HE2 TYR 62 HE1 TYR 62 19.121 2.160 5.431 464 HH TYR 62 HH TYR 62 21.417 3.254 7.574 465 H ALA 63 HN ALA 63 22.076 -5.169 6.097 466 HA ALA 63 HA ALA 63 21.813 -6.682 3.641 467 HB1 ALA 63 HB1 ALA 63 23.654 -7.153 5.177 468 HB2 ALA 63 HB2 ALA 63 22.622 -8.565 4.960 469 HB3 ALA 63 HB3 ALA 63 22.497 -7.600 6.430 470 H HIS 64 HN HIS 64 19.391 -5.649 4.132 471 HA HIS 64 HA HIS 64 17.830 -8.044 4.759 472 HB2 HIS 64 HB2 HIS 64 17.173 -5.292 5.853 473 HB3 HIS 64 HB1 HIS 64 16.134 -6.709 5.971 474 HD1 HIS 64 HD1 HIS 64 16.798 -8.527 7.701 475 HD2 HIS 64 HD2 HIS 64 19.308 -5.213 7.647 476 HE1 HIS 64 HE1 HIS 64 18.188 -8.697 9.786 477 HE2 HIS 64 HE2 HIS 64 19.783 -6.752 9.669 478 HA PRO 65 HA PRO 65 16.093 -6.679 0.854 479 HB2 PRO 65 HB2 PRO 65 14.193 -8.645 0.724 480 HB3 PRO 65 HB1 PRO 65 15.872 -8.873 0.231 481 HG2 PRO 65 HG2 PRO 65 14.521 -9.652 2.779 482 HG3 PRO 65 HG1 PRO 65 15.723 -10.543 1.828 483 HD2 PRO 65 HD2 PRO 65 16.362 -9.183 4.076 484 HD3 PRO 65 HD1 PRO 65 17.489 -9.359 2.718 485 H LEU 66 HN LEU 66 14.459 -5.295 0.443 486 HA LEU 66 HA LEU 66 12.879 -4.436 2.675 487 HB2 LEU 66 HB2 LEU 66 13.985 -2.956 0.941 488 HB3 LEU 66 HB1 LEU 66 12.726 -3.459 -0.165 489 HG LEU 66 HG LEU 66 12.026 -2.160 2.453 490 HD11 LEU 66 HD11 LEU 66 11.973 -0.008 1.249 491 HD12 LEU 66 HD12 LEU 66 12.750 -0.786 -0.129 492 HD13 LEU 66 HD13 LEU 66 13.603 -0.660 1.409 493 HD21 LEU 66 HD21 LEU 66 10.655 -2.265 -0.234 494 HD22 LEU 66 HD22 LEU 66 10.038 -1.460 1.208 495 HD23 LEU 66 HD23 LEU 66 10.220 -3.215 1.187 496 H ASN 67 HN ASN 67 10.854 -4.893 3.119 497 HA ASN 67 HA ASN 67 8.960 -5.678 1.076 498 HB2 ASN 67 HB2 ASN 67 10.023 -7.846 1.802 499 HB3 ASN 67 HB1 ASN 67 9.463 -7.516 3.441 500 HD21 ASN 67 HD21 ASN 67 7.244 -7.633 3.891 501 HD22 ASN 67 HD22 ASN 67 6.141 -8.449 2.840 502 H LEU 68 HN LEU 68 6.826 -5.167 1.721 503 HA LEU 68 HA LEU 68 6.478 -3.993 4.341 504 HB2 LEU 68 HB2 LEU 68 7.438 -2.115 3.224 505 HB3 LEU 68 HB1 LEU 68 6.508 -2.413 1.772 506 HG LEU 68 HG LEU 68 4.446 -1.766 3.003 507 HD11 LEU 68 HD11 LEU 68 6.388 -1.025 5.181 508 HD12 LEU 68 HD12 LEU 68 5.137 -2.267 5.263 509 HD13 LEU 68 HD13 LEU 68 4.686 -0.568 5.129 510 HD21 LEU 68 HD21 LEU 68 6.613 0.327 3.047 511 HD22 LEU 68 HD22 LEU 68 4.874 0.609 2.958 512 HD23 LEU 68 HD23 LEU 68 5.712 -0.170 1.617 513 H ALA 69 HN ALA 69 4.448 -4.302 4.984 514 HA ALA 69 HA ALA 69 2.455 -5.037 2.931 515 HB1 ALA 69 HB1 ALA 69 3.053 -6.888 4.431 516 HB2 ALA 69 HB2 ALA 69 1.358 -6.422 4.596 517 HB3 ALA 69 HB3 ALA 69 2.533 -5.923 5.813 518 H LEU 70 HN LEU 70 1.208 -3.337 2.555 519 HA LEU 70 HA LEU 70 0.434 -1.558 4.744 520 HB2 LEU 70 HB2 LEU 70 0.012 -1.370 1.754 521 HB3 LEU 70 HB1 LEU 70 -0.529 -0.166 2.907 522 HG LEU 70 HG LEU 70 2.373 -0.911 2.493 523 HD11 LEU 70 HD11 LEU 70 1.430 0.049 0.460 524 HD12 LEU 70 HD12 LEU 70 2.558 1.160 1.238 525 HD13 LEU 70 HD13 LEU 70 0.819 1.419 1.387 526 HD21 LEU 70 HD21 LEU 70 2.785 1.202 3.668 527 HD22 LEU 70 HD22 LEU 70 1.903 0.055 4.674 528 HD23 LEU 70 HD23 LEU 70 1.049 1.398 3.913 529 H THR 71 HN THR 71 -1.378 -2.099 5.837 530 HA THR 71 HA THR 71 -3.602 -3.216 4.266 531 HB THR 71 HB THR 71 -4.381 -4.290 6.393 532 HG1 THR 71 HG1 THR 71 -1.885 -3.273 7.304 533 HG21 THR 71 HG21 THR 71 -2.694 -6.106 6.416 534 HG22 THR 71 HG22 THR 71 -1.640 -5.106 5.417 535 HG23 THR 71 HG23 THR 71 -3.192 -5.657 4.787 536 H TRP 72 HN TRP 72 -5.695 -2.473 4.813 537 HA TRP 72 HA TRP 72 -5.734 -0.031 6.447 538 HB2 TRP 72 HB2 TRP 72 -6.966 -0.483 3.726 539 HB3 TRP 72 HB1 TRP 72 -7.475 0.828 4.793 540 HD1 TRP 72 HD1 TRP 72 -5.671 2.792 5.249 541 HE1 TRP 72 HE1 TRP 72 -3.675 3.615 3.853 542 HE3 TRP 72 HE3 TRP 72 -5.141 -1.236 2.144 543 HZ2 TRP 72 HZ2 TRP 72 -2.090 2.685 1.715 544 HZ3 TRP 72 HZ3 TRP 72 -3.359 -1.186 0.449 545 HH2 TRP 72 HH2 TRP 72 -1.867 0.738 0.245 546 H ASN 73 HN ASN 73 -7.730 0.486 7.409 547 HA ASN 73 HA ASN 73 -9.002 -1.646 8.659 548 HB2 ASN 73 HB2 ASN 73 -9.915 1.211 8.290 549 HB3 ASN 73 HB1 ASN 73 -10.681 0.069 9.388 550 HD21 ASN 73 HD21 ASN 73 -9.350 2.604 9.947 551 HD22 ASN 73 HD22 ASN 73 -8.077 2.244 11.062 552 H THR 74 HN THR 74 -10.489 -3.028 8.012 553 HA THR 74 HA THR 74 -11.533 -3.112 5.418 554 HB THR 74 HB THR 74 -12.762 -4.493 7.809 555 HG1 THR 74 HG1 THR 74 -10.995 -5.641 7.986 556 HG21 THR 74 HG21 THR 74 -13.953 -4.747 5.666 557 HG22 THR 74 HG22 THR 74 -13.254 -6.272 6.211 558 HG23 THR 74 HG23 THR 74 -12.472 -5.356 4.924 559 H ASP 75 HN ASP 75 -12.769 -1.677 8.329 560 HA ASP 75 HA ASP 75 -15.456 -1.286 7.445 561 HB2 ASP 75 HB2 ASP 75 -14.853 -1.176 9.830 562 HB3 ASP 75 HB1 ASP 75 -13.857 0.242 9.514 563 H GLU 76 HN GLU 76 -12.563 0.705 7.513 564 HA GLU 76 HA GLU 76 -13.562 2.993 6.299 565 HB2 GLU 76 HB2 GLU 76 -11.277 2.611 7.377 566 HB3 GLU 76 HB1 GLU 76 -10.778 1.946 5.828 567 HG2 GLU 76 HG2 GLU 76 -10.119 4.254 5.998 568 HG3 GLU 76 HG1 GLU 76 -11.345 4.067 4.744 569 H ILE 77 HN ILE 77 -12.253 0.038 4.836 570 HA ILE 77 HA ILE 77 -12.307 0.802 2.165 571 HB ILE 77 HB ILE 77 -12.943 -1.926 3.310 572 HG12 ILE 77 HG12 ILE 77 -10.317 -0.727 2.379 573 HG13 ILE 77 HG11 ILE 77 -10.757 -1.102 4.045 574 HG21 ILE 77 HG21 ILE 77 -12.247 -2.793 1.118 575 HG22 ILE 77 HG22 ILE 77 -12.071 -1.141 0.527 576 HG23 ILE 77 HG23 ILE 77 -13.661 -1.747 0.990 577 HD11 ILE 77 HD11 ILE 77 -10.384 -3.093 1.815 578 HD12 ILE 77 HD12 ILE 77 -10.858 -3.481 3.467 579 HD13 ILE 77 HD13 ILE 77 -9.270 -2.788 3.147 580 H GLU 78 HN GLU 78 -14.903 -0.564 4.159 581 HA GLU 78 HA GLU 78 -16.899 -0.641 2.168 582 HB2 GLU 78 HB2 GLU 78 -16.990 -1.742 4.431 583 HB3 GLU 78 HB1 GLU 78 -17.281 -0.158 5.132 584 HG2 GLU 78 HG2 GLU 78 -19.393 -1.085 4.974 585 HG3 GLU 78 HG1 GLU 78 -19.295 -0.046 3.554 586 H ARG 79 HN ARG 79 -15.851 1.876 4.393 587 HA ARG 79 HA ARG 79 -17.927 3.707 3.832 588 HB2 ARG 79 HB2 ARG 79 -16.392 3.668 5.861 589 HB3 ARG 79 HB1 ARG 79 -15.173 4.416 4.841 590 HG2 ARG 79 HG2 ARG 79 -17.823 5.732 4.943 591 HG3 ARG 79 HG1 ARG 79 -16.827 5.811 6.394 592 HD2 ARG 79 HD2 ARG 79 -15.860 6.596 3.651 593 HD3 ARG 79 HD1 ARG 79 -16.558 7.731 4.804 594 HE ARG 79 HE ARG 79 -14.220 6.128 5.590 595 HH11 ARG 79 HH11 ARG 79 -15.650 9.259 4.867 596 HH12 ARG 79 HH12 ARG 79 -14.304 10.149 5.498 597 HH21 ARG 79 HH21 ARG 79 -12.470 7.310 6.441 598 HH22 ARG 79 HH22 ARG 79 -12.504 9.050 6.401 599 H LEU 80 HN LEU 80 -14.935 2.973 2.212 600 HA LEU 80 HA LEU 80 -14.593 5.377 0.780 601 HB2 LEU 80 HB2 LEU 80 -13.798 2.559 0.066 602 HB3 LEU 80 HB1 LEU 80 -13.313 3.972 -0.849 603 HG LEU 80 HG LEU 80 -12.567 3.345 2.009 604 HD11 LEU 80 HD11 LEU 80 -10.940 3.447 -0.527 605 HD12 LEU 80 HD12 LEU 80 -11.387 1.996 0.369 606 HD13 LEU 80 HD13 LEU 80 -10.302 3.179 1.095 607 HD21 LEU 80 HD21 LEU 80 -11.084 5.337 1.791 608 HD22 LEU 80 HD22 LEU 80 -12.802 5.726 1.825 609 HD23 LEU 80 HD23 LEU 80 -11.924 5.744 0.295 610 H MET 81 HN MET 81 -17.001 3.027 0.523 611 HA MET 81 HA MET 81 -17.563 3.297 -2.270 612 HB2 MET 81 HB2 MET 81 -18.980 2.103 0.076 613 HB3 MET 81 HB1 MET 81 -19.883 2.395 -1.402 614 HG2 MET 81 HG2 MET 81 -17.358 0.763 -1.222 615 HG3 MET 81 HG1 MET 81 -18.997 0.105 -1.237 616 HE1 MET 81 HE1 MET 81 -20.277 2.332 -3.357 617 HE2 MET 81 HE2 MET 81 -20.715 0.628 -3.248 618 HE3 MET 81 HE3 MET 81 -20.228 1.315 -4.796 619 H GLU 82 HN GLU 82 -18.155 5.231 0.467 620 HA GLU 82 HA GLU 82 -20.445 6.609 -0.636 621 HB2 GLU 82 HB2 GLU 82 -19.489 6.305 1.912 622 HB3 GLU 82 HB1 GLU 82 -18.861 7.896 1.515 623 HG2 GLU 82 HG2 GLU 82 -21.745 7.038 1.511 624 HG3 GLU 82 HG1 GLU 82 -20.957 8.119 2.650 625 H ALA 83 HN ALA 83 -20.391 8.832 -1.332 626 HA ALA 83 HA ALA 83 -18.277 9.508 -3.044 627 HB1 ALA 83 HB1 ALA 83 -20.367 11.333 -1.857 628 HB2 ALA 83 HB2 ALA 83 -20.553 10.367 -3.321 629 HB3 ALA 83 HB3 ALA 83 -19.373 11.677 -3.273 630 H ASP 84 HN ASP 84 -18.952 10.415 0.290 631 HA ASP 84 HA ASP 84 -16.904 12.355 0.553 632 HB2 ASP 84 HB2 ASP 84 -18.766 12.113 2.187 633 HB3 ASP 84 HB1 ASP 84 -18.081 10.575 2.708 634 H GLY 85 HN GLY 85 -16.924 8.898 0.599 635 HA2 GLY 85 HA2 GLY 85 -14.402 8.612 1.957 636 HA3 GLY 85 HA1 GLY 85 -15.326 7.338 1.165 637 H ALA 86 HN ALA 86 -15.527 8.076 -1.395 638 HA ALA 86 HA ALA 86 -13.094 7.676 -2.591 639 HB1 ALA 86 HB1 ALA 86 -15.256 7.427 -3.714 640 HB2 ALA 86 HB2 ALA 86 -14.131 8.402 -4.660 641 HB3 ALA 86 HB3 ALA 86 -15.428 9.181 -3.753 642 H ALA 87 HN ALA 87 -14.652 10.778 -1.841 643 HA ALA 87 HA ALA 87 -12.763 12.468 -3.009 644 HB1 ALA 87 HB1 ALA 87 -14.933 13.235 -2.176 645 HB2 ALA 87 HB2 ALA 87 -13.610 14.194 -1.514 646 HB3 ALA 87 HB3 ALA 87 -14.391 12.963 -0.520 647 H ARG 88 HN ARG 88 -12.772 10.839 0.102 648 HA ARG 88 HA ARG 88 -10.513 12.176 1.201 649 HB2 ARG 88 HB2 ARG 88 -12.168 10.915 2.545 650 HB3 ARG 88 HB1 ARG 88 -11.632 9.424 1.790 651 HG2 ARG 88 HG2 ARG 88 -10.514 9.357 3.790 652 HG3 ARG 88 HG1 ARG 88 -9.305 10.097 2.742 653 HD2 ARG 88 HD2 ARG 88 -11.209 11.700 4.429 654 HD3 ARG 88 HD1 ARG 88 -9.643 11.159 5.017 655 HE ARG 88 HE ARG 88 -8.630 12.524 3.256 656 HH11 ARG 88 HH11 ARG 88 -12.006 13.128 3.947 657 HH12 ARG 88 HH12 ARG 88 -11.914 14.812 3.556 658 HH21 ARG 88 HH21 ARG 88 -8.487 14.751 2.790 659 HH22 ARG 88 HH22 ARG 88 -9.923 15.738 2.883 660 H PHE 89 HN PHE 89 -10.989 9.251 -0.702 661 HA PHE 89 HA PHE 89 -8.369 8.241 -0.540 662 HB2 PHE 89 HB2 PHE 89 -10.333 6.918 -1.295 663 HB3 PHE 89 HB1 PHE 89 -10.376 7.867 -2.778 664 HD1 PHE 89 HD2 PHE 89 -8.344 5.462 -0.837 665 HD2 PHE 89 HD1 PHE 89 -8.996 7.315 -4.614 666 HE1 PHE 89 HE2 PHE 89 -6.796 3.874 -1.883 667 HE2 PHE 89 HE1 PHE 89 -7.448 5.728 -5.662 668 HZ PHE 89 HZ PHE 89 -6.343 4.004 -4.301 669 H GLU 90 HN GLU 90 -9.906 10.453 -2.850 670 HA GLU 90 HA GLU 90 -7.820 10.615 -4.699 671 HB2 GLU 90 HB2 GLU 90 -9.870 12.669 -3.857 672 HB3 GLU 90 HB1 GLU 90 -8.768 12.905 -5.205 673 HG2 GLU 90 HG2 GLU 90 -10.844 10.735 -4.969 674 HG3 GLU 90 HG1 GLU 90 -10.949 12.178 -5.975 675 H ARG 91 HN ARG 91 -8.413 12.462 -1.734 676 HA ARG 91 HA ARG 91 -6.131 14.148 -2.152 677 HB2 ARG 91 HB2 ARG 91 -8.265 14.703 -0.839 678 HB3 ARG 91 HB1 ARG 91 -7.557 13.769 0.470 679 HG2 ARG 91 HG2 ARG 91 -5.693 15.259 0.609 680 HG3 ARG 91 HG1 ARG 91 -6.216 16.123 -0.837 681 HD2 ARG 91 HD2 ARG 91 -7.621 16.009 1.826 682 HD3 ARG 91 HD1 ARG 91 -6.804 17.401 1.116 683 HE ARG 91 HE ARG 91 -8.829 16.489 -0.626 684 HH11 ARG 91 HH11 ARG 91 -8.404 18.172 2.416 685 HH12 ARG 91 HH12 ARG 91 -9.912 19.023 2.295 686 HH21 ARG 91 HH21 ARG 91 -10.797 17.599 -0.793 687 HH22 ARG 91 HH22 ARG 91 -11.275 18.700 0.460 688 H TYR 92 HN TYR 92 -6.603 11.011 -0.947 689 HA TYR 92 HA TYR 92 -4.332 10.951 0.820 690 HB2 TYR 92 HB2 TYR 92 -6.219 9.393 1.146 691 HB3 TYR 92 HB1 TYR 92 -5.909 8.688 -0.436 692 HD1 TYR 92 HD1 TYR 92 -4.198 9.312 2.823 693 HD2 TYR 92 HD2 TYR 92 -4.596 6.783 -0.575 694 HE1 TYR 92 HE1 TYR 92 -2.662 7.696 3.856 695 HE2 TYR 92 HE2 TYR 92 -3.060 5.156 0.450 696 HH TYR 92 HH TYR 92 -2.130 5.306 3.716 697 H LEU 93 HN LEU 93 -5.049 10.216 -2.524 698 HA LEU 93 HA LEU 93 -2.609 9.008 -3.231 699 HB2 LEU 93 HB2 LEU 93 -4.405 10.747 -4.935 700 HB3 LEU 93 HB1 LEU 93 -3.158 9.671 -5.538 701 HG LEU 93 HG LEU 93 -5.649 8.791 -4.066 702 HD11 LEU 93 HD11 LEU 93 -4.943 8.671 -6.993 703 HD12 LEU 93 HD12 LEU 93 -6.188 9.679 -6.255 704 HD13 LEU 93 HD13 LEU 93 -6.355 7.923 -6.248 705 HD21 LEU 93 HD21 LEU 93 -3.451 7.224 -5.408 706 HD22 LEU 93 HD22 LEU 93 -4.975 6.539 -4.849 707 HD23 LEU 93 HD23 LEU 93 -3.846 7.236 -3.690 708 H ALA 94 HN ALA 94 -3.646 12.364 -3.086 709 HA ALA 94 HA ALA 94 -1.244 13.491 -4.075 710 HB1 ALA 94 HB1 ALA 94 -3.376 14.693 -4.060 711 HB2 ALA 94 HB2 ALA 94 -2.111 15.604 -3.234 712 HB3 ALA 94 HB3 ALA 94 -3.335 14.743 -2.299 713 H ALA 95 HN ALA 95 -2.014 12.076 -1.058 714 HA ALA 95 HA ALA 95 0.130 13.545 0.306 715 HB1 ALA 95 HB1 ALA 95 -0.813 12.697 2.381 716 HB2 ALA 95 HB2 ALA 95 -1.994 11.754 1.470 717 HB3 ALA 95 HB3 ALA 95 -2.047 13.515 1.423 718 H LEU 96 HN LEU 96 -0.247 10.767 -1.414 719 HA LEU 96 HA LEU 96 0.917 8.745 0.038 720 HB2 LEU 96 HB2 LEU 96 1.114 9.375 -2.891 721 HB3 LEU 96 HB1 LEU 96 1.849 7.944 -2.199 722 HG LEU 96 HG LEU 96 -1.091 8.575 -2.000 723 HD11 LEU 96 HD11 LEU 96 0.341 6.726 -3.903 724 HD12 LEU 96 HD12 LEU 96 -0.422 8.258 -4.332 725 HD13 LEU 96 HD13 LEU 96 -1.406 6.914 -3.751 726 HD21 LEU 96 HD21 LEU 96 -1.255 6.178 -1.426 727 HD22 LEU 96 HD22 LEU 96 -0.327 7.099 -0.246 728 HD23 LEU 96 HD23 LEU 96 0.506 6.082 -1.422 729 HA PRO 97 HA PRO 97 5.392 10.303 -1.387 730 HB2 PRO 97 HB2 PRO 97 5.380 13.105 -1.345 731 HB3 PRO 97 HB1 PRO 97 5.503 12.090 -2.783 732 HG2 PRO 97 HG2 PRO 97 3.113 13.437 -1.610 733 HG3 PRO 97 HG1 PRO 97 3.535 13.180 -3.313 734 HD2 PRO 97 HD2 PRO 97 1.666 11.698 -2.115 735 HD3 PRO 97 HD1 PRO 97 2.792 10.974 -3.286 736 H ARG 98 HN ARG 98 3.233 12.243 0.612 737 HA ARG 98 HA ARG 98 5.216 12.934 2.541 738 HB2 ARG 98 HB2 ARG 98 3.197 14.295 2.145 739 HB3 ARG 98 HB1 ARG 98 2.204 12.996 2.788 740 HG2 ARG 98 HG2 ARG 98 3.198 13.257 4.967 741 HG3 ARG 98 HG1 ARG 98 4.322 14.466 4.342 742 HD2 ARG 98 HD2 ARG 98 1.318 14.716 4.422 743 HD3 ARG 98 HD1 ARG 98 2.450 15.514 5.513 744 HE ARG 98 HE ARG 98 3.342 16.450 3.230 745 HH11 ARG 98 HH11 ARG 98 0.009 16.037 4.249 746 HH12 ARG 98 HH12 ARG 98 -0.580 17.336 3.263 747 HH21 ARG 98 HH21 ARG 98 2.545 18.160 1.931 748 HH22 ARG 98 HH22 ARG 98 0.852 18.533 1.947 749 H LYS 99 HN LYS 99 2.725 10.435 2.362 750 HA LYS 99 HA LYS 99 3.146 9.557 5.061 751 HB2 LYS 99 HB2 LYS 99 1.651 8.318 2.754 752 HB3 LYS 99 HB1 LYS 99 1.708 7.615 4.360 753 HG2 LYS 99 HG2 LYS 99 0.532 10.279 3.593 754 HG3 LYS 99 HG1 LYS 99 -0.345 8.833 4.097 755 HD2 LYS 99 HD2 LYS 99 0.734 8.962 6.301 756 HD3 LYS 99 HD1 LYS 99 1.580 10.422 5.796 757 HE2 LYS 99 HE2 LYS 99 -0.294 11.103 7.084 758 HE3 LYS 99 HE1 LYS 99 -0.656 11.473 5.400 759 HZ1 LYS 99 HZ1 LYS 99 -1.671 9.159 6.960 760 HZ2 LYS 99 HZ2 LYS 99 -1.953 9.398 5.312 761 HZ3 LYS 99 HZ3 LYS 99 -2.568 10.499 6.438 762 H LEU 100 HN LEU 100 4.131 8.412 1.867 763 HA LEU 100 HA LEU 100 5.463 6.093 2.676 764 HB2 LEU 100 HB2 LEU 100 5.630 7.886 0.311 765 HB3 LEU 100 HB1 LEU 100 6.945 6.759 0.562 766 HG LEU 100 HG LEU 100 5.208 5.946 -1.016 767 HD11 LEU 100 HD11 LEU 100 5.500 4.313 1.495 768 HD12 LEU 100 HD12 LEU 100 6.633 4.365 0.147 769 HD13 LEU 100 HD13 LEU 100 5.016 3.705 -0.086 770 HD21 LEU 100 HD21 LEU 100 3.454 5.897 1.433 771 HD22 LEU 100 HD22 LEU 100 3.065 5.154 -0.118 772 HD23 LEU 100 HD23 LEU 100 3.232 6.906 0.003 773 H ALA 101 HN ALA 101 6.641 9.420 2.350 774 HA ALA 101 HA ALA 101 9.320 8.878 3.050 775 HB1 ALA 101 HB1 ALA 101 8.634 10.939 1.930 776 HB2 ALA 101 HB2 ALA 101 9.513 11.284 3.419 777 HB3 ALA 101 HB3 ALA 101 7.757 11.436 3.377 778 H ALA 102 HN ALA 102 6.445 9.444 4.901 779 HA ALA 102 HA ALA 102 7.678 10.035 7.389 780 HB1 ALA 102 HB1 ALA 102 5.363 10.652 6.915 781 HB2 ALA 102 HB2 ALA 102 5.469 9.649 8.361 782 HB3 ALA 102 HB3 ALA 102 4.919 8.948 6.839 783 H TRP 103 HN TRP 103 6.444 7.060 5.924 784 HA TRP 103 HA TRP 103 6.957 5.433 8.197 785 HB2 TRP 103 HB2 TRP 103 6.523 4.709 5.289 786 HB3 TRP 103 HB1 TRP 103 6.652 3.523 6.587 787 HD1 TRP 103 HD1 TRP 103 4.809 4.926 8.763 788 HE1 TRP 103 HE1 TRP 103 2.265 5.058 8.384 789 HE3 TRP 103 HE3 TRP 103 4.712 4.318 3.692 790 HZ2 TRP 103 HZ2 TRP 103 0.465 4.931 6.219 791 HZ3 TRP 103 HZ3 TRP 103 2.538 4.331 2.544 792 HH2 TRP 103 HH2 TRP 103 0.459 4.630 3.784 793 H GLU 104 HN GLU 104 8.844 6.313 5.353 794 HA GLU 104 HA GLU 104 10.921 4.466 5.585 795 HB2 GLU 104 HB2 GLU 104 11.066 7.351 4.696 796 HB3 GLU 104 HB1 GLU 104 12.350 6.179 4.477 797 HG2 GLU 104 HG2 GLU 104 10.835 4.831 3.065 798 HG3 GLU 104 HG1 GLU 104 9.612 6.097 3.232 799 H ASN 105 HN ASN 105 10.635 7.698 6.989 800 HA ASN 105 HA ASN 105 13.114 7.658 8.333 801 HB2 ASN 105 HB2 ASN 105 11.879 9.722 7.749 802 HB3 ASN 105 HB1 ASN 105 10.654 9.312 8.945 803 HD21 ASN 105 HD21 ASN 105 13.954 10.341 8.463 804 HD22 ASN 105 HD22 ASN 105 14.221 10.898 10.080 805 H ALA 106 HN ALA 106 9.961 6.479 9.243 806 HA ALA 106 HA ALA 106 10.639 6.434 12.061 807 HB1 ALA 106 HB1 ALA 106 8.157 5.408 10.700 808 HB2 ALA 106 HB2 ALA 106 8.371 7.049 11.307 809 HB3 ALA 106 HB3 ALA 106 8.375 5.685 12.426 810 H ARG 107 HN ARG 107 9.912 4.025 9.534 811 HA ARG 107 HA ARG 107 10.400 1.908 11.474 812 HB2 ARG 107 HB2 ARG 107 9.528 1.669 8.596 813 HB3 ARG 107 HB1 ARG 107 9.505 0.389 9.798 814 HG2 ARG 107 HG2 ARG 107 7.854 2.912 9.862 815 HG3 ARG 107 HG1 ARG 107 7.280 1.300 9.434 816 HD2 ARG 107 HD2 ARG 107 8.381 2.120 12.130 817 HD3 ARG 107 HD1 ARG 107 6.681 1.902 11.738 818 HE ARG 107 HE ARG 107 8.548 -0.348 11.448 819 HH11 ARG 107 HH11 ARG 107 5.792 1.116 13.043 820 HH12 ARG 107 HH12 ARG 107 5.289 -0.362 13.797 821 HH21 ARG 107 HH21 ARG 107 7.868 -2.301 12.425 822 HH22 ARG 107 HH22 ARG 107 6.457 -2.303 13.435 823 H GLY 108 HN GLY 108 12.365 3.578 9.384 824 HA2 GLY 108 HA2 GLY 108 14.631 3.164 8.994 825 HA3 GLY 108 HA1 GLY 108 14.418 1.553 9.672 826 H VAL 109 HN VAL 109 12.926 3.266 6.986 827 HA VAL 109 HA VAL 109 13.660 1.033 5.209 828 HB VAL 109 HB VAL 109 11.073 2.605 5.267 829 HG11 VAL 109 HG11 VAL 109 11.938 0.522 3.272 830 HG12 VAL 109 HG12 VAL 109 11.775 2.249 2.954 831 HG13 VAL 109 HG13 VAL 109 10.353 1.288 3.354 832 HG21 VAL 109 HG21 VAL 109 10.018 0.446 5.649 833 HG22 VAL 109 HG22 VAL 109 11.202 0.799 6.909 834 HG23 VAL 109 HG23 VAL 109 11.596 -0.339 5.621 835 H ASP 110 HN ASP 110 14.473 1.633 3.189 836 HA ASP 110 HA ASP 110 14.497 4.492 2.559 837 HB2 ASP 110 HB2 ASP 110 16.588 3.802 3.879 838 HB3 ASP 110 HB1 ASP 110 17.049 2.884 2.442 839 H PHE 111 HN PHE 111 13.273 4.250 0.753 840 HA PHE 111 HA PHE 111 13.602 2.104 -1.081 841 HB2 PHE 111 HB2 PHE 111 12.139 4.729 -1.304 842 HB3 PHE 111 HB1 PHE 111 12.106 3.499 -2.560 843 HD1 PHE 111 HD1 PHE 111 11.126 1.258 -2.052 844 HD2 PHE 111 HD2 PHE 111 10.781 4.552 0.622 845 HE1 PHE 111 HE1 PHE 111 9.273 0.127 -0.902 846 HE2 PHE 111 HE2 PHE 111 8.930 3.424 1.779 847 HZ PHE 111 HZ PHE 111 8.170 1.207 1.019 848 H GLY 112 HN GLY 112 15.303 5.048 -0.668 849 HA2 GLY 112 HA2 GLY 112 16.218 5.280 -3.381 850 HA3 GLY 112 HA1 GLY 112 16.907 6.086 -1.977 851 H SER 113 HN SER 113 17.320 3.670 -0.477 852 HA SER 113 HA SER 113 19.766 2.760 -1.736 853 HB2 SER 113 HB2 SER 113 18.590 1.965 0.938 854 HB3 SER 113 HB1 SER 113 20.254 1.730 0.404 855 HG SER 113 HG SER 113 18.951 4.231 0.818 856 H ARG 114 HN ARG 114 16.547 1.827 -1.569 857 HA ARG 114 HA ARG 114 15.366 0.043 -2.309 858 HB2 ARG 114 HB2 ARG 114 17.991 -0.793 -3.562 859 HB3 ARG 114 HB1 ARG 114 16.405 -1.452 -3.962 860 HG2 ARG 114 HG2 ARG 114 15.684 0.657 -4.843 861 HG3 ARG 114 HG1 ARG 114 17.157 1.446 -4.284 862 HD2 ARG 114 HD2 ARG 114 17.390 1.060 -6.621 863 HD3 ARG 114 HD1 ARG 114 18.444 -0.080 -5.788 864 HE ARG 114 HE ARG 114 16.260 -1.568 -6.132 865 HH11 ARG 114 HH11 ARG 114 17.968 0.538 -8.359 866 HH12 ARG 114 HH12 ARG 114 17.505 -0.380 -9.765 867 HH21 ARG 114 HH21 ARG 114 15.682 -2.788 -7.973 868 HH22 ARG 114 HH22 ARG 114 16.204 -2.267 -9.549 869 H THR 115 HN THR 115 16.713 0.011 0.239 870 HA THR 115 HA THR 115 16.469 -2.823 0.846 871 HB THR 115 HB THR 115 18.554 -2.543 2.367 872 HG1 THR 115 HG1 THR 115 19.370 -0.739 0.347 873 HG21 THR 115 HG21 THR 115 20.061 -3.308 0.582 874 HG22 THR 115 HG22 THR 115 18.883 -2.788 -0.623 875 HG23 THR 115 HG23 THR 115 18.486 -4.098 0.488 876 H GLN 116 HN GLN 116 16.735 -3.003 3.411 877 HA GLN 116 HA GLN 116 15.816 -0.592 4.749 878 HB2 GLN 116 HB2 GLN 116 13.823 -1.589 5.665 879 HB3 GLN 116 HB1 GLN 116 13.761 -1.756 3.918 880 HG2 GLN 116 HG2 GLN 116 14.502 -4.081 4.119 881 HG3 GLN 116 HG1 GLN 116 14.531 -3.908 5.874 882 HE21 GLN 116 HE21 GLN 116 12.982 -5.461 6.247 883 HE22 GLN 116 HE22 GLN 116 11.320 -5.246 5.826 884 H ALA 117 HN ALA 117 15.979 -0.719 7.055 885 HA ALA 117 HA ALA 117 18.134 -2.499 7.857 886 HB1 ALA 117 HB1 ALA 117 18.309 -1.099 9.828 887 HB2 ALA 117 HB2 ALA 117 16.819 -0.265 9.396 888 HB3 ALA 117 HB3 ALA 117 18.249 -0.095 8.379 889 H ASP 118 HN ASP 118 14.812 -2.550 7.921 890 HA ASP 118 HA ASP 118 14.604 -3.965 10.467 891 HB2 ASP 118 HB2 ASP 118 12.922 -2.173 9.574 892 HB3 ASP 118 HB1 ASP 118 12.311 -3.495 8.580 893 H ALA 119 HN ALA 119 13.551 -6.036 10.573 894 HA ALA 119 HA ALA 119 14.381 -7.851 8.523 895 HB1 ALA 119 HB1 ALA 119 12.616 -8.328 10.926 896 HB2 ALA 119 HB2 ALA 119 14.371 -8.491 10.893 897 HB3 ALA 119 HB3 ALA 119 13.366 -9.572 9.927 898 H LEU 120 HN LEU 120 11.365 -6.334 9.510 899 HA LEU 120 HA LEU 120 10.139 -6.774 6.997 900 HB2 LEU 120 HB2 LEU 120 9.900 -9.053 7.907 901 HB3 LEU 120 HB1 LEU 120 9.089 -8.403 9.312 902 HG LEU 120 HG LEU 120 7.251 -7.611 7.860 903 HD11 LEU 120 HD11 LEU 120 8.787 -9.053 5.714 904 HD12 LEU 120 HD12 LEU 120 8.412 -7.332 5.781 905 HD13 LEU 120 HD13 LEU 120 7.117 -8.507 5.567 906 HD21 LEU 120 HD21 LEU 120 7.886 -10.546 7.653 907 HD22 LEU 120 HD22 LEU 120 6.299 -9.816 7.419 908 HD23 LEU 120 HD23 LEU 120 7.077 -9.744 8.998 909 H VAL 121 HN VAL 121 8.816 -5.055 6.737 910 HA VAL 121 HA VAL 121 7.814 -3.805 9.193 911 HB VAL 121 HB VAL 121 9.245 -2.275 8.081 912 HG11 VAL 121 HG11 VAL 121 9.307 -3.257 5.876 913 HG12 VAL 121 HG12 VAL 121 8.922 -1.539 5.771 914 HG13 VAL 121 HG13 VAL 121 7.647 -2.742 5.576 915 HG21 VAL 121 HG21 VAL 121 7.742 -0.406 7.577 916 HG22 VAL 121 HG22 VAL 121 7.243 -1.284 9.022 917 HG23 VAL 121 HG23 VAL 121 6.382 -1.528 7.503 918 H LEU 122 HN LEU 122 5.939 -4.718 9.545 919 HA LEU 122 HA LEU 122 3.900 -4.734 7.447 920 HB2 LEU 122 HB2 LEU 122 3.769 -5.848 10.253 921 HB3 LEU 122 HB1 LEU 122 2.591 -6.101 8.982 922 HG LEU 122 HG LEU 122 5.429 -7.147 8.999 923 HD11 LEU 122 HD11 LEU 122 4.367 -9.342 9.200 924 HD12 LEU 122 HD12 LEU 122 2.788 -8.566 9.322 925 HD13 LEU 122 HD13 LEU 122 3.997 -8.311 10.581 926 HD21 LEU 122 HD21 LEU 122 4.754 -8.391 6.996 927 HD22 LEU 122 HD22 LEU 122 4.720 -6.648 6.738 928 HD23 LEU 122 HD23 LEU 122 3.213 -7.531 6.990 929 H LEU 123 HN LEU 123 2.130 -3.417 7.538 930 HA LEU 123 HA LEU 123 1.995 -1.549 9.798 931 HB2 LEU 123 HB2 LEU 123 1.683 -0.819 6.885 932 HB3 LEU 123 HB1 LEU 123 1.452 0.270 8.239 933 HG LEU 123 HG LEU 123 4.053 -0.986 7.374 934 HD11 LEU 123 HD11 LEU 123 4.712 1.302 6.873 935 HD12 LEU 123 HD12 LEU 123 3.119 1.879 7.365 936 HD13 LEU 123 HD13 LEU 123 3.282 0.843 5.947 937 HD21 LEU 123 HD21 LEU 123 5.083 0.417 9.110 938 HD22 LEU 123 HD22 LEU 123 4.015 -0.807 9.791 939 HD23 LEU 123 HD23 LEU 123 3.476 0.869 9.682 940 H GLY 124 HN GLY 124 0.211 -2.234 10.766 941 HA2 GLY 124 HA2 GLY 124 -2.169 -2.783 9.127 942 HA3 GLY 124 HA1 GLY 124 -1.907 -3.366 10.762 943 H GLY 125 HN GLY 125 -4.251 -2.052 9.862 944 HA2 GLY 125 HA2 GLY 125 -5.735 -0.574 10.810 945 HA3 GLY 125 HA1 GLY 125 -4.511 -0.217 12.017 946 H LEU 126 HN LEU 126 -4.051 0.235 8.556 947 HA LEU 126 HA LEU 126 -3.419 2.998 9.030 948 HB2 LEU 126 HB2 LEU 126 -3.266 1.166 6.694 949 HB3 LEU 126 HB1 LEU 126 -3.348 2.891 6.375 950 HG LEU 126 HG LEU 126 -1.328 3.249 7.714 951 HD11 LEU 126 HD11 LEU 126 -1.673 1.331 9.256 952 HD12 LEU 126 HD12 LEU 126 -0.042 1.443 8.601 953 HD13 LEU 126 HD13 LEU 126 -1.171 0.252 7.953 954 HD21 LEU 126 HD21 LEU 126 -1.027 1.108 5.613 955 HD22 LEU 126 HD22 LEU 126 0.253 2.173 6.195 956 HD23 LEU 126 HD23 LEU 126 -1.124 2.846 5.323 957 H ASP 127 HN ASP 127 -4.422 4.777 8.203 958 HA ASP 127 HA ASP 127 -7.254 4.427 7.453 959 HB2 ASP 127 HB2 ASP 127 -5.891 6.737 8.886 960 HB3 ASP 127 HB1 ASP 127 -7.571 6.747 8.357 961 H PHE 128 HN PHE 128 -8.003 6.527 6.214 962 HA PHE 128 HA PHE 128 -5.969 7.084 4.163 963 HB2 PHE 128 HB2 PHE 128 -8.988 7.074 3.981 964 HB3 PHE 128 HB1 PHE 128 -7.944 7.705 2.711 965 HD1 PHE 128 HD1 PHE 128 -6.522 6.202 1.414 966 HD2 PHE 128 HD2 PHE 128 -9.209 4.712 4.358 967 HE1 PHE 128 HE1 PHE 128 -6.314 3.952 0.454 968 HE2 PHE 128 HE2 PHE 128 -9.000 2.452 3.407 969 HZ PHE 128 HZ PHE 128 -7.511 2.051 1.498 970 H GLU 129 HN GLU 129 -6.095 8.378 6.657 971 HA GLU 129 HA GLU 129 -7.441 10.869 6.500 972 HB2 GLU 129 HB2 GLU 129 -6.854 9.869 8.646 973 HB3 GLU 129 HB1 GLU 129 -5.144 9.971 8.249 974 HG2 GLU 129 HG2 GLU 129 -5.233 12.374 8.292 975 HG3 GLU 129 HG1 GLU 129 -6.977 12.335 8.548 976 H ALA 130 HN ALA 130 -6.967 12.265 4.981 977 HA ALA 130 HA ALA 130 -4.296 13.334 4.776 978 HB1 ALA 130 HB1 ALA 130 -4.211 11.496 3.176 979 HB2 ALA 130 HB2 ALA 130 -4.156 13.053 2.350 980 HB3 ALA 130 HB3 ALA 130 -5.652 12.120 2.372 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -15.874 -15.594 10.201 2 H2 GLY 1 HT2 GLY 1 -16.566 -14.902 11.577 3 H3 GLY 1 HT3 GLY 1 -14.899 -14.790 11.322 4 HA2 GLY 1 HA1 GLY 1 -15.936 -12.694 10.807 5 HA3 GLY 1 HA2 GLY 1 -15.256 -13.429 9.363 6 H ALA 2 HN ALA 2 -18.252 -12.934 11.166 7 HA ALA 2 HA ALA 2 -19.961 -13.975 9.135 8 HB1 ALA 2 HB1 ALA 2 -20.631 -13.892 11.488 9 HB2 ALA 2 HB2 ALA 2 -21.778 -13.026 10.464 10 HB3 ALA 2 HB3 ALA 2 -20.608 -12.130 11.434 11 H MET 3 HN MET 3 -18.498 -10.898 9.738 12 HA MET 3 HA MET 3 -20.266 -9.347 8.102 13 HB2 MET 3 HB2 MET 3 -18.860 -8.392 9.941 14 HB3 MET 3 HB1 MET 3 -17.427 -8.741 8.985 15 HG2 MET 3 HG2 MET 3 -18.261 -7.220 7.230 16 HG3 MET 3 HG1 MET 3 -19.636 -6.830 8.260 17 HE1 MET 3 HE1 MET 3 -19.441 -5.529 10.567 18 HE2 MET 3 HE2 MET 3 -17.905 -5.040 11.285 19 HE3 MET 3 HE3 MET 3 -18.309 -6.751 11.149 20 H GLY 4 HN GLY 4 -18.004 -11.674 7.389 21 HA2 GLY 4 HA2 GLY 4 -16.908 -10.443 5.007 22 HA3 GLY 4 HA1 GLY 4 -16.581 -12.066 5.590 23 H MET 5 HN MET 5 -19.856 -11.770 5.646 24 HA MET 5 HA MET 5 -20.126 -13.452 3.352 25 HB2 MET 5 HB2 MET 5 -22.532 -13.478 3.863 26 HB3 MET 5 HB1 MET 5 -21.549 -13.853 5.265 27 HG2 MET 5 HG2 MET 5 -23.259 -12.472 6.054 28 HG3 MET 5 HG1 MET 5 -21.841 -11.435 5.951 29 HE1 MET 5 HE1 MET 5 -24.072 -12.630 2.902 30 HE2 MET 5 HE2 MET 5 -25.283 -11.349 2.863 31 HE3 MET 5 HE3 MET 5 -25.225 -12.465 4.227 32 H SER 6 HN SER 6 -20.110 -10.105 3.770 33 HA SER 6 HA SER 6 -21.461 -9.664 1.202 34 HB2 SER 6 HB2 SER 6 -20.510 -7.602 3.202 35 HB3 SER 6 HB1 SER 6 -21.569 -7.330 1.821 36 HG SER 6 HG SER 6 -22.661 -9.248 3.280 37 HA PRO 7 HA PRO 7 -17.050 -9.409 0.093 38 HB2 PRO 7 HB2 PRO 7 -17.118 -10.834 -2.154 39 HB3 PRO 7 HB1 PRO 7 -17.260 -11.614 -0.577 40 HG2 PRO 7 HG2 PRO 7 -19.364 -11.031 -2.599 41 HG3 PRO 7 HG1 PRO 7 -19.221 -12.404 -1.489 42 HD2 PRO 7 HD2 PRO 7 -20.814 -10.098 -1.129 43 HD3 PRO 7 HD1 PRO 7 -20.457 -11.335 0.090 44 H ASP 8 HN ASP 8 -19.618 -7.772 -1.056 45 HA ASP 8 HA ASP 8 -18.776 -7.041 -3.679 46 HB2 ASP 8 HB2 ASP 8 -20.706 -5.698 -1.780 47 HB3 ASP 8 HB1 ASP 8 -20.421 -5.158 -3.429 48 H THR 9 HN THR 9 -18.438 -5.514 -0.506 49 HA THR 9 HA THR 9 -17.170 -3.161 -1.333 50 HB THR 9 HB THR 9 -16.762 -4.663 1.259 51 HG1 THR 9 HG1 THR 9 -18.444 -2.845 1.780 52 HG21 THR 9 HG21 THR 9 -15.130 -2.886 0.926 53 HG22 THR 9 HG22 THR 9 -16.281 -2.434 2.185 54 HG23 THR 9 HG23 THR 9 -16.424 -1.744 0.568 55 H ALA 10 HN ALA 10 -15.813 -6.250 -0.244 56 HA ALA 10 HA ALA 10 -13.106 -5.512 -0.472 57 HB1 ALA 10 HB1 ALA 10 -14.333 -8.260 -0.582 58 HB2 ALA 10 HB2 ALA 10 -13.828 -7.405 0.875 59 HB3 ALA 10 HB3 ALA 10 -12.627 -7.901 -0.317 60 H ARG 11 HN ARG 11 -15.375 -6.961 -2.730 61 HA ARG 11 HA ARG 11 -13.534 -7.691 -4.730 62 HB2 ARG 11 HB2 ARG 11 -15.831 -8.531 -4.684 63 HB3 ARG 11 HB1 ARG 11 -16.444 -6.911 -4.986 64 HG2 ARG 11 HG2 ARG 11 -15.193 -6.950 -7.163 65 HG3 ARG 11 HG1 ARG 11 -14.868 -8.658 -6.859 66 HD2 ARG 11 HD2 ARG 11 -16.818 -8.408 -8.291 67 HD3 ARG 11 HD1 ARG 11 -17.282 -9.081 -6.728 68 HE ARG 11 HE ARG 11 -17.607 -6.222 -7.380 69 HH11 ARG 11 HH11 ARG 11 -18.917 -9.245 -6.170 70 HH12 ARG 11 HH12 ARG 11 -20.375 -8.507 -5.581 71 HH21 ARG 11 HH21 ARG 11 -19.533 -5.276 -6.594 72 HH22 ARG 11 HH22 ARG 11 -20.721 -6.279 -5.808 73 H ARG 12 HN ARG 12 -15.385 -4.720 -4.182 74 HA ARG 12 HA ARG 12 -14.570 -3.439 -6.561 75 HB2 ARG 12 HB2 ARG 12 -16.543 -2.712 -5.297 76 HB3 ARG 12 HB1 ARG 12 -15.510 -2.208 -3.966 77 HG2 ARG 12 HG2 ARG 12 -14.438 -0.558 -5.425 78 HG3 ARG 12 HG1 ARG 12 -15.500 -1.047 -6.746 79 HD2 ARG 12 HD2 ARG 12 -17.433 -0.277 -5.551 80 HD3 ARG 12 HD1 ARG 12 -16.472 0.035 -4.107 81 HE ARG 12 HE ARG 12 -15.297 1.573 -6.032 82 HH11 ARG 12 HH11 ARG 12 -18.586 1.288 -4.850 83 HH12 ARG 12 HH12 ARG 12 -18.957 2.961 -5.129 84 HH21 ARG 12 HH21 ARG 12 -15.778 3.738 -6.403 85 HH22 ARG 12 HH22 ARG 12 -17.355 4.362 -6.013 86 H PHE 13 HN PHE 13 -13.220 -3.493 -3.290 87 HA PHE 13 HA PHE 13 -11.264 -1.503 -3.753 88 HB2 PHE 13 HB2 PHE 13 -11.946 -2.406 -1.484 89 HB3 PHE 13 HB1 PHE 13 -10.998 -3.838 -1.847 90 HD1 PHE 13 HD1 PHE 13 -10.824 -0.216 -1.202 91 HD2 PHE 13 HD2 PHE 13 -8.626 -3.826 -1.689 92 HE1 PHE 13 HE1 PHE 13 -8.809 0.901 -0.348 93 HE2 PHE 13 HE2 PHE 13 -6.605 -2.717 -0.833 94 HZ PHE 13 HZ PHE 13 -6.693 -0.349 -0.162 95 H ASP 14 HN ASP 14 -11.222 -5.010 -4.032 96 HA ASP 14 HA ASP 14 -8.590 -5.428 -4.785 97 HB2 ASP 14 HB2 ASP 14 -9.911 -7.309 -4.240 98 HB3 ASP 14 HB1 ASP 14 -11.150 -6.884 -5.412 99 H THR 15 HN THR 15 -11.336 -4.444 -6.783 100 HA THR 15 HA THR 15 -9.697 -4.749 -9.179 101 HB THR 15 HB THR 15 -11.950 -4.212 -10.315 102 HG1 THR 15 HG1 THR 15 -12.951 -5.091 -7.796 103 HG21 THR 15 HG21 THR 15 -10.915 -6.426 -10.310 104 HG22 THR 15 HG22 THR 15 -12.662 -6.550 -10.101 105 HG23 THR 15 HG23 THR 15 -11.592 -6.747 -8.714 106 H GLU 16 HN GLU 16 -11.470 -2.230 -7.421 107 HA GLU 16 HA GLU 16 -10.888 -0.345 -9.570 108 HB2 GLU 16 HB2 GLU 16 -13.174 -0.450 -8.686 109 HB3 GLU 16 HB1 GLU 16 -12.579 -0.020 -7.088 110 HG2 GLU 16 HG2 GLU 16 -11.858 2.144 -7.916 111 HG3 GLU 16 HG1 GLU 16 -12.398 1.718 -9.541 112 H PHE 17 HN PHE 17 -10.186 -0.742 -6.099 113 HA PHE 17 HA PHE 17 -8.854 1.858 -6.136 114 HB2 PHE 17 HB2 PHE 17 -9.681 0.058 -3.863 115 HB3 PHE 17 HB1 PHE 17 -8.707 1.503 -3.629 116 HD1 PHE 17 HD1 PHE 17 -9.681 3.738 -4.099 117 HD2 PHE 17 HD2 PHE 17 -12.021 0.183 -4.272 118 HE1 PHE 17 HE1 PHE 17 -11.729 5.088 -4.002 119 HE2 PHE 17 HE2 PHE 17 -14.075 1.533 -4.171 120 HZ PHE 17 HZ PHE 17 -13.918 4.004 -4.009 121 H ALA 18 HN ALA 18 -8.088 -1.505 -5.226 122 HA ALA 18 HA ALA 18 -5.525 -1.018 -4.282 123 HB1 ALA 18 HB1 ALA 18 -6.762 -3.121 -3.954 124 HB2 ALA 18 HB2 ALA 18 -5.102 -3.369 -4.493 125 HB3 ALA 18 HB3 ALA 18 -6.434 -3.548 -5.632 126 HA PRO 19 HA PRO 19 -3.753 -1.944 -8.748 127 HB2 PRO 19 HB2 PRO 19 -6.038 -0.969 -10.388 128 HB3 PRO 19 HB1 PRO 19 -4.936 -2.324 -10.683 129 HG2 PRO 19 HG2 PRO 19 -7.416 -2.789 -9.897 130 HG3 PRO 19 HG1 PRO 19 -6.073 -3.730 -9.213 131 HD2 PRO 19 HD2 PRO 19 -7.555 -1.406 -8.019 132 HD3 PRO 19 HD1 PRO 19 -7.077 -2.939 -7.264 133 H ARG 20 HN ARG 20 -5.897 0.701 -7.931 134 HA ARG 20 HA ARG 20 -4.532 2.689 -9.478 135 HB2 ARG 20 HB2 ARG 20 -6.451 2.887 -7.156 136 HB3 ARG 20 HB1 ARG 20 -5.741 4.299 -7.922 137 HG2 ARG 20 HG2 ARG 20 -7.398 2.255 -9.380 138 HG3 ARG 20 HG1 ARG 20 -8.044 3.738 -8.678 139 HD2 ARG 20 HD2 ARG 20 -7.686 4.252 -10.934 140 HD3 ARG 20 HD1 ARG 20 -6.316 4.964 -10.089 141 HE ARG 20 HE ARG 20 -5.898 2.301 -11.164 142 HH11 ARG 20 HH11 ARG 20 -5.550 5.751 -11.639 143 HH12 ARG 20 HH12 ARG 20 -4.336 5.589 -12.866 144 HH21 ARG 20 HH21 ARG 20 -4.304 2.072 -12.778 145 HH22 ARG 20 HH22 ARG 20 -3.634 3.489 -13.528 146 H ILE 21 HN ILE 21 -4.392 1.522 -6.166 147 HA ILE 21 HA ILE 21 -2.559 3.439 -5.186 148 HB ILE 21 HB ILE 21 -2.947 0.602 -4.208 149 HG12 ILE 21 HG12 ILE 21 -4.333 3.132 -3.286 150 HG13 ILE 21 HG11 ILE 21 -5.070 1.918 -4.327 151 HG21 ILE 21 HG21 ILE 21 -1.918 3.054 -2.777 152 HG22 ILE 21 HG22 ILE 21 -0.929 1.710 -3.351 153 HG23 ILE 21 HG23 ILE 21 -2.117 1.449 -2.076 154 HD11 ILE 21 HD11 ILE 21 -4.800 0.261 -2.512 155 HD12 ILE 21 HD12 ILE 21 -5.832 1.618 -2.068 156 HD13 ILE 21 HD13 ILE 21 -4.173 1.542 -1.475 157 H ALA 22 HN ALA 22 -2.168 0.196 -6.545 158 HA ALA 22 HA ALA 22 0.618 0.005 -6.256 159 HB1 ALA 22 HB1 ALA 22 -1.101 -1.264 -8.384 160 HB2 ALA 22 HB2 ALA 22 -0.862 -1.906 -6.758 161 HB3 ALA 22 HB3 ALA 22 0.501 -1.794 -7.873 162 H ARG 23 HN ARG 23 -1.389 1.400 -8.774 163 HA ARG 23 HA ARG 23 0.649 1.902 -10.658 164 HB2 ARG 23 HB2 ARG 23 -1.692 1.982 -11.289 165 HB3 ARG 23 HB1 ARG 23 -1.990 3.294 -10.162 166 HG2 ARG 23 HG2 ARG 23 -1.901 4.151 -12.405 167 HG3 ARG 23 HG1 ARG 23 -0.511 4.742 -11.493 168 HD2 ARG 23 HD2 ARG 23 0.175 4.074 -13.717 169 HD3 ARG 23 HD1 ARG 23 0.881 2.994 -12.517 170 HE ARG 23 HE ARG 23 -1.475 1.804 -13.350 171 HH11 ARG 23 HH11 ARG 23 1.561 2.791 -14.780 172 HH12 ARG 23 HH12 ARG 23 1.526 1.570 -16.011 173 HH21 ARG 23 HH21 ARG 23 -1.530 0.193 -14.981 174 HH22 ARG 23 HH22 ARG 23 -0.228 0.094 -16.124 175 H ALA 24 HN ALA 24 -0.778 3.929 -8.121 176 HA ALA 24 HA ALA 24 0.664 6.264 -8.699 177 HB1 ALA 24 HB1 ALA 24 -0.043 7.036 -6.508 178 HB2 ALA 24 HB2 ALA 24 -0.493 5.391 -6.058 179 HB3 ALA 24 HB3 ALA 24 -1.372 6.226 -7.339 180 H ILE 25 HN ILE 25 1.304 3.630 -6.432 181 HA ILE 25 HA ILE 25 3.619 4.754 -5.280 182 HB ILE 25 HB ILE 25 2.809 1.848 -5.494 183 HG12 ILE 25 HG12 ILE 25 2.467 3.850 -3.242 184 HG13 ILE 25 HG11 ILE 25 1.183 3.280 -4.302 185 HG21 ILE 25 HG21 ILE 25 4.886 3.176 -3.754 186 HG22 ILE 25 HG22 ILE 25 5.181 2.019 -5.052 187 HG23 ILE 25 HG23 ILE 25 4.342 1.507 -3.586 188 HD11 ILE 25 HD11 ILE 25 1.157 2.177 -2.120 189 HD12 ILE 25 HD12 ILE 25 2.777 1.553 -2.425 190 HD13 ILE 25 HD13 ILE 25 1.429 1.035 -3.435 191 H ALA 26 HN ALA 26 3.213 2.374 -7.894 192 HA ALA 26 HA ALA 26 5.931 1.889 -8.369 193 HB1 ALA 26 HB1 ALA 26 5.222 1.047 -10.561 194 HB2 ALA 26 HB2 ALA 26 3.631 1.770 -10.318 195 HB3 ALA 26 HB3 ALA 26 4.175 0.462 -9.267 196 H ASP 27 HN ASP 27 3.768 4.360 -9.555 197 HA ASP 27 HA ASP 27 5.546 5.515 -11.448 198 HB2 ASP 27 HB2 ASP 27 3.175 5.902 -11.646 199 HB3 ASP 27 HB1 ASP 27 3.098 6.583 -10.028 200 H LEU 28 HN LEU 28 4.839 6.099 -8.055 201 HA LEU 28 HA LEU 28 6.299 8.518 -7.818 202 HB2 LEU 28 HB2 LEU 28 4.519 7.916 -6.257 203 HB3 LEU 28 HB1 LEU 28 5.426 6.511 -5.737 204 HG LEU 28 HG LEU 28 7.173 8.022 -4.816 205 HD11 LEU 28 HD11 LEU 28 6.836 9.970 -6.187 206 HD12 LEU 28 HD12 LEU 28 6.580 10.400 -4.498 207 HD13 LEU 28 HD13 LEU 28 5.198 10.168 -5.567 208 HD21 LEU 28 HD21 LEU 28 4.379 8.491 -3.773 209 HD22 LEU 28 HD22 LEU 28 5.874 8.716 -2.868 210 HD23 LEU 28 HD23 LEU 28 5.398 7.102 -3.397 211 H LEU 29 HN LEU 29 7.100 5.125 -7.426 212 HA LEU 29 HA LEU 29 9.774 5.780 -6.461 213 HB2 LEU 29 HB2 LEU 29 8.537 3.082 -7.028 214 HB3 LEU 29 HB1 LEU 29 10.047 3.373 -6.184 215 HG LEU 29 HG LEU 29 7.303 4.158 -5.207 216 HD11 LEU 29 HD11 LEU 29 9.188 2.003 -4.267 217 HD12 LEU 29 HD12 LEU 29 7.685 1.749 -5.154 218 HD13 LEU 29 HD13 LEU 29 7.644 2.427 -3.526 219 HD21 LEU 29 HD21 LEU 29 10.023 4.446 -3.941 220 HD22 LEU 29 HD22 LEU 29 8.497 4.651 -3.084 221 HD23 LEU 29 HD23 LEU 29 8.920 5.743 -4.402 222 H ASN 30 HN ASN 30 8.347 5.793 -9.341 223 HA ASN 30 HA ASN 30 8.961 5.618 -11.508 224 HB2 ASN 30 HB2 ASN 30 11.695 6.050 -10.287 225 HB3 ASN 30 HB1 ASN 30 11.356 6.147 -12.010 226 HD21 ASN 30 HD21 ASN 30 10.237 7.910 -12.815 227 HD22 ASN 30 HD22 ASN 30 9.945 9.330 -11.873 228 H HIS 31 HN HIS 31 8.651 3.183 -10.117 229 HA HIS 31 HA HIS 31 8.879 0.955 -10.415 230 HB2 HIS 31 HB2 HIS 31 10.036 1.854 -13.050 231 HB3 HIS 31 HB1 HIS 31 9.717 0.168 -12.655 232 HD1 HIS 31 HD1 HIS 31 7.213 -0.542 -12.440 233 HD2 HIS 31 HD2 HIS 31 7.810 3.365 -13.725 234 HE1 HIS 31 HE1 HIS 31 4.994 0.222 -13.348 235 HE2 HIS 31 HE2 HIS 31 5.435 2.522 -14.274 236 H ARG 32 HN ARG 32 11.131 2.438 -9.129 237 HA ARG 32 HA ARG 32 13.424 0.785 -9.707 238 HB2 ARG 32 HB2 ARG 32 12.837 2.676 -7.418 239 HB3 ARG 32 HB1 ARG 32 14.370 1.845 -7.637 240 HG2 ARG 32 HG2 ARG 32 14.765 3.011 -9.702 241 HG3 ARG 32 HG1 ARG 32 13.167 3.755 -9.629 242 HD2 ARG 32 HD2 ARG 32 13.810 4.894 -7.556 243 HD3 ARG 32 HD1 ARG 32 15.411 4.171 -7.662 244 HE ARG 32 HE ARG 32 15.720 5.449 -9.735 245 HH11 ARG 32 HH11 ARG 32 13.203 6.473 -7.519 246 HH12 ARG 32 HH12 ARG 32 13.204 8.115 -8.075 247 HH21 ARG 32 HH21 ARG 32 15.736 7.618 -10.457 248 HH22 ARG 32 HH22 ARG 32 14.638 8.765 -9.756 249 H ALA 33 HN ALA 33 10.716 0.787 -7.561 250 HA ALA 33 HA ALA 33 11.564 -1.820 -6.493 251 HB1 ALA 33 HB1 ALA 33 9.662 0.174 -5.257 252 HB2 ALA 33 HB2 ALA 33 11.327 -0.107 -4.747 253 HB3 ALA 33 HB3 ALA 33 10.124 -1.384 -4.571 254 H HIS 34 HN HIS 34 9.726 -3.335 -6.133 255 HA HIS 34 HA HIS 34 7.873 -3.096 -8.405 256 HB2 HIS 34 HB2 HIS 34 9.451 -5.013 -8.481 257 HB3 HIS 34 HB1 HIS 34 8.822 -5.579 -6.936 258 HD1 HIS 34 HD1 HIS 34 7.798 -5.160 -10.541 259 HD2 HIS 34 HD2 HIS 34 6.522 -7.097 -7.090 260 HE1 HIS 34 HE1 HIS 34 5.928 -6.676 -11.268 261 HE2 HIS 34 HE2 HIS 34 5.283 -7.951 -9.193 262 H THR 35 HN THR 35 5.714 -3.169 -8.081 263 HA THR 35 HA THR 35 4.814 -3.533 -5.305 264 HB THR 35 HB THR 35 2.815 -2.188 -5.980 265 HG1 THR 35 HG1 THR 35 3.286 -0.839 -7.940 266 HG21 THR 35 HG21 THR 35 3.958 -0.042 -5.857 267 HG22 THR 35 HG22 THR 35 5.475 -0.804 -6.335 268 HG23 THR 35 HG23 THR 35 4.738 -1.207 -4.786 269 H ASP 36 HN ASP 36 2.931 -4.757 -4.920 270 HA ASP 36 HA ASP 36 1.855 -6.294 -7.147 271 HB2 ASP 36 HB2 ASP 36 3.855 -7.552 -6.381 272 HB3 ASP 36 HB1 ASP 36 3.169 -7.622 -4.763 273 H VAL 37 HN VAL 37 -0.264 -6.305 -6.924 274 HA VAL 37 HA VAL 37 -1.453 -5.685 -4.359 275 HB VAL 37 HB VAL 37 -2.696 -6.092 -7.083 276 HG11 VAL 37 HG11 VAL 37 -4.761 -5.204 -6.095 277 HG12 VAL 37 HG12 VAL 37 -3.996 -5.212 -4.505 278 HG13 VAL 37 HG13 VAL 37 -4.284 -6.731 -5.353 279 HG21 VAL 37 HG21 VAL 37 -2.240 -3.597 -5.447 280 HG22 VAL 37 HG22 VAL 37 -3.063 -3.673 -7.004 281 HG23 VAL 37 HG23 VAL 37 -1.348 -4.068 -6.895 282 H VAL 38 HN VAL 38 -1.558 -7.331 -2.990 283 HA VAL 38 HA VAL 38 -2.310 -9.994 -3.702 284 HB VAL 38 HB VAL 38 -2.466 -8.625 -1.006 285 HG11 VAL 38 HG11 VAL 38 -2.490 -11.550 -1.726 286 HG12 VAL 38 HG12 VAL 38 -3.839 -10.616 -1.077 287 HG13 VAL 38 HG13 VAL 38 -2.406 -10.901 -0.089 288 HG21 VAL 38 HG21 VAL 38 -0.201 -8.575 -1.871 289 HG22 VAL 38 HG22 VAL 38 -0.271 -10.306 -2.206 290 HG23 VAL 38 HG23 VAL 38 -0.322 -9.726 -0.541 291 H GLY 39 HN GLY 39 -4.239 -10.300 -4.628 292 HA2 GLY 39 HA2 GLY 39 -6.392 -8.442 -4.204 293 HA3 GLY 39 HA1 GLY 39 -6.395 -9.816 -5.298 294 H TYR 40 HN TYR 40 -8.664 -9.445 -4.124 295 HA TYR 40 HA TYR 40 -8.832 -10.865 -1.595 296 HB2 TYR 40 HB2 TYR 40 -10.270 -8.886 -2.042 297 HB3 TYR 40 HB1 TYR 40 -11.029 -9.761 -3.369 298 HD1 TYR 40 HD1 TYR 40 -10.420 -10.054 0.319 299 HD2 TYR 40 HD2 TYR 40 -12.990 -10.933 -2.961 300 HE1 TYR 40 HE1 TYR 40 -12.083 -10.986 1.873 301 HE2 TYR 40 HE2 TYR 40 -14.657 -11.862 -1.411 302 HH TYR 40 HH TYR 40 -14.780 -12.811 0.795 303 H GLY 41 HN GLY 41 -8.754 -13.007 -1.613 304 HA2 GLY 41 HA2 GLY 41 -10.300 -14.432 -3.682 305 HA3 GLY 41 HA1 GLY 41 -8.670 -14.950 -3.250 306 H GLY 42 HN GLY 42 -12.001 -14.831 -2.282 307 HA2 GLY 42 HA2 GLY 42 -13.069 -16.355 -0.860 308 HA3 GLY 42 HA1 GLY 42 -11.492 -16.897 -0.293 309 H HIS 43 HN HIS 43 -13.795 -16.209 1.317 310 HA HIS 43 HA HIS 43 -13.524 -13.605 2.399 311 HB2 HIS 43 HB2 HIS 43 -14.688 -16.066 3.729 312 HB3 HIS 43 HB1 HIS 43 -14.945 -14.396 4.224 313 HD1 HIS 43 HD1 HIS 43 -15.532 -13.210 1.384 314 HD2 HIS 43 HD2 HIS 43 -17.248 -16.672 2.939 315 HE1 HIS 43 HE1 HIS 43 -17.681 -13.535 0.117 316 HE2 HIS 43 HE2 HIS 43 -18.601 -15.726 0.945 317 H GLY 44 HN GLY 44 -12.574 -12.921 4.336 318 HA2 GLY 44 HA2 GLY 44 -11.144 -13.026 6.165 319 HA3 GLY 44 HA1 GLY 44 -10.931 -14.742 5.865 320 H HIS 45 HN HIS 45 -10.481 -12.598 3.214 321 HA HIS 45 HA HIS 45 -7.559 -12.797 3.527 322 HB2 HIS 45 HB2 HIS 45 -9.193 -13.242 1.020 323 HB3 HIS 45 HB1 HIS 45 -7.450 -13.013 1.014 324 HD1 HIS 45 HD1 HIS 45 -10.083 -15.455 2.182 325 HD2 HIS 45 HD2 HIS 45 -5.969 -15.249 1.622 326 HE1 HIS 45 HE1 HIS 45 -9.243 -17.804 2.475 327 HE2 HIS 45 HE2 HIS 45 -6.758 -17.666 2.091 328 HA PRO 46 HA PRO 46 -8.723 -8.373 3.167 329 HB2 PRO 46 HB2 PRO 46 -6.465 -7.462 4.422 330 HB3 PRO 46 HB1 PRO 46 -7.935 -7.963 5.275 331 HG2 PRO 46 HG2 PRO 46 -5.401 -9.490 4.796 332 HG3 PRO 46 HG1 PRO 46 -6.393 -9.398 6.264 333 HD2 PRO 46 HD2 PRO 46 -6.504 -11.504 4.589 334 HD3 PRO 46 HD1 PRO 46 -7.931 -10.928 5.473 335 H THR 47 HN THR 47 -8.304 -7.200 1.422 336 HA THR 47 HA THR 47 -6.187 -7.861 -0.374 337 HB THR 47 HB THR 47 -7.971 -5.417 -0.436 338 HG1 THR 47 HG1 THR 47 -8.460 -8.118 -1.009 339 HG21 THR 47 HG21 THR 47 -7.631 -5.564 -2.877 340 HG22 THR 47 HG22 THR 47 -6.550 -6.934 -2.638 341 HG23 THR 47 HG23 THR 47 -6.101 -5.343 -2.025 342 H GLN 48 HN GLN 48 -4.294 -6.736 -0.786 343 HA GLN 48 HA GLN 48 -3.633 -4.375 0.741 344 HB2 GLN 48 HB2 GLN 48 -1.732 -5.456 1.927 345 HB3 GLN 48 HB1 GLN 48 -3.300 -6.045 2.458 346 HG2 GLN 48 HG2 GLN 48 -2.968 -7.991 0.891 347 HG3 GLN 48 HG1 GLN 48 -1.308 -7.435 0.689 348 HE21 GLN 48 HE21 GLN 48 -3.604 -8.903 2.840 349 HE22 GLN 48 HE22 GLN 48 -2.462 -9.402 4.043 350 H VAL 49 HN VAL 49 -1.688 -3.392 0.044 351 HA VAL 49 HA VAL 49 -0.580 -4.614 -2.390 352 HB VAL 49 HB VAL 49 -1.738 -2.515 -2.879 353 HG11 VAL 49 HG11 VAL 49 0.239 -1.244 -0.994 354 HG12 VAL 49 HG12 VAL 49 -1.501 -1.390 -0.743 355 HG13 VAL 49 HG13 VAL 49 -0.878 -0.376 -2.046 356 HG21 VAL 49 HG21 VAL 49 0.082 -1.377 -4.060 357 HG22 VAL 49 HG22 VAL 49 0.186 -3.130 -4.234 358 HG23 VAL 49 HG23 VAL 49 1.260 -2.289 -3.116 359 H ARG 50 HN ARG 50 1.362 -5.364 -2.193 360 HA ARG 50 HA ARG 50 3.073 -4.378 -0.033 361 HB2 ARG 50 HB2 ARG 50 4.372 -6.476 -0.432 362 HB3 ARG 50 HB1 ARG 50 2.707 -6.745 0.062 363 HG2 ARG 50 HG2 ARG 50 2.097 -7.147 -2.284 364 HG3 ARG 50 HG1 ARG 50 3.788 -6.935 -2.736 365 HD2 ARG 50 HD2 ARG 50 4.436 -8.848 -1.450 366 HD3 ARG 50 HD1 ARG 50 2.813 -9.003 -0.777 367 HE ARG 50 HE ARG 50 2.481 -9.176 -3.501 368 HH11 ARG 50 HH11 ARG 50 4.345 -10.926 -1.107 369 HH12 ARG 50 HH12 ARG 50 4.259 -12.431 -1.961 370 HH21 ARG 50 HH21 ARG 50 2.360 -11.125 -4.617 371 HH22 ARG 50 HH22 ARG 50 3.112 -12.551 -3.966 372 H ILE 51 HN ILE 51 5.052 -3.560 -0.350 373 HA ILE 51 HA ILE 51 5.939 -3.175 -3.128 374 HB ILE 51 HB ILE 51 6.878 -1.615 -0.711 375 HG12 ILE 51 HG12 ILE 51 4.780 -0.788 -2.732 376 HG13 ILE 51 HG11 ILE 51 4.428 -1.305 -1.086 377 HG21 ILE 51 HG21 ILE 51 8.369 -1.638 -2.663 378 HG22 ILE 51 HG22 ILE 51 7.698 -0.034 -2.375 379 HG23 ILE 51 HG23 ILE 51 7.050 -1.039 -3.670 380 HD11 ILE 51 HD11 ILE 51 5.988 1.131 -1.916 381 HD12 ILE 51 HD12 ILE 51 5.767 0.595 -0.252 382 HD13 ILE 51 HD13 ILE 51 4.373 1.090 -1.210 383 H VAL 52 HN VAL 52 7.457 -4.592 -3.660 384 HA VAL 52 HA VAL 52 9.360 -5.474 -1.596 385 HB VAL 52 HB VAL 52 8.538 -6.983 -4.091 386 HG11 VAL 52 HG11 VAL 52 10.804 -7.503 -3.328 387 HG12 VAL 52 HG12 VAL 52 9.716 -8.872 -3.108 388 HG13 VAL 52 HG13 VAL 52 10.178 -7.883 -1.723 389 HG21 VAL 52 HG21 VAL 52 7.707 -7.439 -1.228 390 HG22 VAL 52 HG22 VAL 52 7.324 -8.490 -2.589 391 HG23 VAL 52 HG23 VAL 52 6.676 -6.851 -2.533 392 H ALA 53 HN ALA 53 11.509 -5.348 -2.030 393 HA ALA 53 HA ALA 53 12.248 -3.960 -4.514 394 HB1 ALA 53 HB1 ALA 53 12.826 -2.788 -2.446 395 HB2 ALA 53 HB2 ALA 53 14.275 -3.265 -3.331 396 HB3 ALA 53 HB3 ALA 53 13.767 -4.181 -1.913 397 HA PRO 54 HA PRO 54 14.027 -8.049 -5.376 398 HB2 PRO 54 HB2 PRO 54 13.896 -7.892 -8.059 399 HB3 PRO 54 HB1 PRO 54 12.455 -8.212 -7.076 400 HG2 PRO 54 HG2 PRO 54 13.351 -5.665 -8.356 401 HG3 PRO 54 HG1 PRO 54 11.718 -6.337 -8.220 402 HD2 PRO 54 HD2 PRO 54 12.747 -4.366 -6.579 403 HD3 PRO 54 HD1 PRO 54 11.399 -5.435 -6.145 404 H HIS 55 HN HIS 55 15.705 -6.003 -4.561 405 HA HIS 55 HA HIS 55 17.970 -6.469 -6.324 406 HB2 HIS 55 HB2 HIS 55 16.895 -4.244 -6.952 407 HB3 HIS 55 HB1 HIS 55 17.369 -3.669 -5.359 408 HD1 HIS 55 HD1 HIS 55 18.767 -4.598 -8.704 409 HD2 HIS 55 HD2 HIS 55 20.097 -3.128 -5.051 410 HE1 HIS 55 HE1 HIS 55 21.120 -3.806 -9.106 411 HE2 HIS 55 HE2 HIS 55 21.931 -2.977 -6.871 412 H ALA 56 HN ALA 56 18.356 -7.896 -4.491 413 HA ALA 56 HA ALA 56 18.834 -6.759 -1.894 414 HB1 ALA 56 HB1 ALA 56 17.971 -9.039 -2.162 415 HB2 ALA 56 HB2 ALA 56 19.468 -9.000 -1.231 416 HB3 ALA 56 HB3 ALA 56 19.491 -9.514 -2.917 417 H GLU 57 HN GLU 57 20.593 -6.750 -4.697 418 HA GLU 57 HA GLU 57 23.215 -6.982 -3.496 419 HB2 GLU 57 HB2 GLU 57 22.679 -7.577 -5.904 420 HB3 GLU 57 HB1 GLU 57 22.513 -5.855 -6.214 421 HG2 GLU 57 HG2 GLU 57 24.694 -6.652 -6.896 422 HG3 GLU 57 HG1 GLU 57 24.837 -5.507 -5.562 423 H HIS 58 HN HIS 58 22.222 -5.328 -1.883 424 HA HIS 58 HA HIS 58 23.421 -2.750 -2.492 425 HB2 HIS 58 HB2 HIS 58 20.964 -2.685 -3.209 426 HB3 HIS 58 HB1 HIS 58 20.559 -2.858 -1.508 427 HD1 HIS 58 HD1 HIS 58 21.771 -0.400 -4.022 428 HD2 HIS 58 HD2 HIS 58 21.062 -0.554 0.071 429 HE1 HIS 58 HE1 HIS 58 21.775 1.989 -3.245 430 HE2 HIS 58 HE2 HIS 58 21.133 1.874 -0.811 431 H VAL 59 HN VAL 59 24.504 -4.515 -0.883 432 HA VAL 59 HA VAL 59 23.606 -3.889 1.847 433 HB VAL 59 HB VAL 59 25.333 -6.212 0.986 434 HG11 VAL 59 HG11 VAL 59 25.709 -5.516 3.292 435 HG12 VAL 59 HG12 VAL 59 24.872 -7.068 3.241 436 HG13 VAL 59 HG13 VAL 59 23.976 -5.596 3.611 437 HG21 VAL 59 HG21 VAL 59 23.349 -7.605 1.391 438 HG22 VAL 59 HG22 VAL 59 23.092 -6.459 0.074 439 HG23 VAL 59 HG23 VAL 59 22.394 -6.147 1.664 440 H ARG 60 HN ARG 60 24.731 -1.904 1.865 441 HA ARG 60 HA ARG 60 27.608 -2.277 2.391 442 HB2 ARG 60 HB2 ARG 60 27.225 -0.749 0.500 443 HB3 ARG 60 HB1 ARG 60 26.156 0.228 1.489 444 HG2 ARG 60 HG2 ARG 60 28.435 1.168 1.143 445 HG3 ARG 60 HG1 ARG 60 27.941 0.997 2.825 446 HD2 ARG 60 HD2 ARG 60 30.253 0.302 2.537 447 HD3 ARG 60 HD1 ARG 60 29.245 -1.066 2.999 448 HE ARG 60 HE ARG 60 29.576 -0.831 0.161 449 HH11 ARG 60 HH11 ARG 60 31.039 -2.028 3.109 450 HH12 ARG 60 HH12 ARG 60 31.983 -3.236 2.297 451 HH21 ARG 60 HH21 ARG 60 30.825 -2.421 -0.904 452 HH22 ARG 60 HH22 ARG 60 31.864 -3.459 0.022 453 H GLY 61 HN GLY 61 24.629 -1.880 3.718 454 HA2 GLY 61 HA2 GLY 61 25.817 -1.158 6.287 455 HA3 GLY 61 HA1 GLY 61 24.481 -0.166 5.713 456 H TYR 62 HN TYR 62 22.599 -1.668 4.835 457 HA TYR 62 HA TYR 62 22.018 -3.516 7.050 458 HB2 TYR 62 HB2 TYR 62 20.005 -2.280 5.156 459 HB3 TYR 62 HB1 TYR 62 19.681 -3.096 6.685 460 HD1 TYR 62 HD2 TYR 62 20.978 -1.958 8.752 461 HD2 TYR 62 HD1 TYR 62 19.855 0.036 5.161 462 HE1 TYR 62 HE2 TYR 62 21.055 0.197 9.931 463 HE2 TYR 62 HE1 TYR 62 19.930 2.198 6.335 464 HH TYR 62 HH TYR 62 21.351 2.562 9.408 465 H ALA 63 HN ALA 63 21.304 -5.592 6.637 466 HA ALA 63 HA ALA 63 21.524 -6.476 3.840 467 HB1 ALA 63 HB1 ALA 63 23.207 -7.439 5.332 468 HB2 ALA 63 HB2 ALA 63 22.110 -8.675 4.712 469 HB3 ALA 63 HB3 ALA 63 21.925 -8.079 6.361 470 H HIS 64 HN HIS 64 19.153 -5.341 4.648 471 HA HIS 64 HA HIS 64 17.357 -7.673 4.749 472 HB2 HIS 64 HB2 HIS 64 16.962 -4.982 6.087 473 HB3 HIS 64 HB1 HIS 64 15.699 -6.198 5.922 474 HD1 HIS 64 HD1 HIS 64 15.787 -8.218 7.494 475 HD2 HIS 64 HD2 HIS 64 18.929 -5.550 8.021 476 HE1 HIS 64 HE1 HIS 64 16.863 -8.862 9.673 477 HE2 HIS 64 HE2 HIS 64 18.853 -7.339 9.887 478 HA PRO 65 HA PRO 65 16.023 -5.771 0.870 479 HB2 PRO 65 HB2 PRO 65 14.102 -8.004 0.916 480 HB3 PRO 65 HB1 PRO 65 15.303 -7.588 -0.309 481 HG2 PRO 65 HG2 PRO 65 15.593 -9.731 1.285 482 HG3 PRO 65 HG1 PRO 65 16.981 -8.770 0.741 483 HD2 PRO 65 HD2 PRO 65 15.585 -8.752 3.389 484 HD3 PRO 65 HD1 PRO 65 17.322 -8.649 3.027 485 H LEU 66 HN LEU 66 14.347 -4.390 0.487 486 HA LEU 66 HA LEU 66 12.621 -3.746 2.658 487 HB2 LEU 66 HB2 LEU 66 13.610 -2.152 0.956 488 HB3 LEU 66 HB1 LEU 66 12.426 -2.755 -0.184 489 HG LEU 66 HG LEU 66 11.569 -1.545 2.433 490 HD11 LEU 66 HD11 LEU 66 12.145 -0.101 -0.149 491 HD12 LEU 66 HD12 LEU 66 13.009 0.094 1.376 492 HD13 LEU 66 HD13 LEU 66 11.322 0.592 1.248 493 HD21 LEU 66 HD21 LEU 66 10.234 -1.765 -0.263 494 HD22 LEU 66 HD22 LEU 66 9.529 -1.056 1.190 495 HD23 LEU 66 HD23 LEU 66 9.895 -2.780 1.138 496 H ASN 67 HN ASN 67 10.778 -4.691 3.153 497 HA ASN 67 HA ASN 67 9.011 -5.643 1.024 498 HB2 ASN 67 HB2 ASN 67 10.333 -7.612 1.840 499 HB3 ASN 67 HB1 ASN 67 9.683 -7.329 3.455 500 HD21 ASN 67 HD21 ASN 67 7.473 -7.713 3.832 501 HD22 ASN 67 HD22 ASN 67 6.535 -8.712 2.776 502 H LEU 68 HN LEU 68 7.475 -4.162 1.362 503 HA LEU 68 HA LEU 68 6.455 -3.792 4.099 504 HB2 LEU 68 HB2 LEU 68 7.306 -1.734 3.218 505 HB3 LEU 68 HB1 LEU 68 6.472 -1.972 1.694 506 HG LEU 68 HG LEU 68 4.301 -1.737 2.950 507 HD11 LEU 68 HD11 LEU 68 5.093 -2.231 5.184 508 HD12 LEU 68 HD12 LEU 68 4.394 -0.614 5.126 509 HD13 LEU 68 HD13 LEU 68 6.145 -0.816 5.145 510 HD21 LEU 68 HD21 LEU 68 5.226 0.078 1.624 511 HD22 LEU 68 HD22 LEU 68 6.199 0.602 2.997 512 HD23 LEU 68 HD23 LEU 68 4.442 0.700 3.074 513 H ALA 69 HN ALA 69 4.447 -4.416 4.538 514 HA ALA 69 HA ALA 69 2.596 -4.853 2.282 515 HB1 ALA 69 HB1 ALA 69 3.137 -6.879 3.588 516 HB2 ALA 69 HB2 ALA 69 1.423 -6.462 3.652 517 HB3 ALA 69 HB3 ALA 69 2.470 -6.100 5.024 518 H LEU 70 HN LEU 70 1.199 -3.252 2.059 519 HA LEU 70 HA LEU 70 0.421 -1.650 4.371 520 HB2 LEU 70 HB2 LEU 70 -0.061 -1.306 1.409 521 HB3 LEU 70 HB1 LEU 70 -0.695 -0.217 2.628 522 HG LEU 70 HG LEU 70 2.253 -0.718 2.161 523 HD11 LEU 70 HD11 LEU 70 1.223 0.356 0.229 524 HD12 LEU 70 HD12 LEU 70 2.275 1.469 1.102 525 HD13 LEU 70 HD13 LEU 70 0.524 1.587 1.281 526 HD21 LEU 70 HD21 LEU 70 1.762 0.004 4.424 527 HD22 LEU 70 HD22 LEU 70 0.777 1.332 3.807 528 HD23 LEU 70 HD23 LEU 70 2.515 1.318 3.518 529 H THR 71 HN THR 71 -1.344 -2.177 5.472 530 HA THR 71 HA THR 71 -3.601 -3.368 3.997 531 HB THR 71 HB THR 71 -4.215 -4.533 6.137 532 HG1 THR 71 HG1 THR 71 -1.847 -3.260 6.950 533 HG21 THR 71 HG21 THR 71 -2.483 -6.287 5.982 534 HG22 THR 71 HG22 THR 71 -1.508 -5.212 4.979 535 HG23 THR 71 HG23 THR 71 -3.072 -5.784 4.399 536 H TRP 72 HN TRP 72 -5.721 -2.741 4.738 537 HA TRP 72 HA TRP 72 -5.683 -0.220 6.260 538 HB2 TRP 72 HB2 TRP 72 -7.042 -0.824 3.642 539 HB3 TRP 72 HB1 TRP 72 -7.607 0.478 4.691 540 HD1 TRP 72 HD1 TRP 72 -6.011 2.615 4.958 541 HE1 TRP 72 HE1 TRP 72 -4.100 3.522 3.498 542 HE3 TRP 72 HE3 TRP 72 -5.120 -1.539 2.111 543 HZ2 TRP 72 HZ2 TRP 72 -2.442 2.609 1.410 544 HZ3 TRP 72 HZ3 TRP 72 -3.354 -1.433 0.401 545 HH2 TRP 72 HH2 TRP 72 -2.045 0.602 0.064 546 H ASN 73 HN ASN 73 -7.686 0.404 7.216 547 HA ASN 73 HA ASN 73 -9.059 -1.741 8.496 548 HB2 ASN 73 HB2 ASN 73 -9.536 1.244 8.434 549 HB3 ASN 73 HB1 ASN 73 -10.466 0.135 9.434 550 HD21 ASN 73 HD21 ASN 73 -8.623 2.380 10.087 551 HD22 ASN 73 HD22 ASN 73 -7.464 1.700 11.180 552 H THR 74 HN THR 74 -10.865 -2.759 7.882 553 HA THR 74 HA THR 74 -11.843 -2.479 5.275 554 HB THR 74 HB THR 74 -11.936 -4.603 6.529 555 HG1 THR 74 HG1 THR 74 -14.239 -3.508 5.314 556 HG21 THR 74 HG21 THR 74 -12.642 -3.796 8.705 557 HG22 THR 74 HG22 THR 74 -13.792 -4.990 8.105 558 HG23 THR 74 HG23 THR 74 -14.187 -3.273 8.036 559 H ASP 75 HN ASP 75 -12.911 -0.987 8.242 560 HA ASP 75 HA ASP 75 -15.466 -0.134 7.373 561 HB2 ASP 75 HB2 ASP 75 -13.533 0.958 9.410 562 HB3 ASP 75 HB1 ASP 75 -15.050 1.773 9.059 563 H GLU 76 HN GLU 76 -12.299 1.433 7.298 564 HA GLU 76 HA GLU 76 -12.999 3.736 5.902 565 HB2 GLU 76 HB2 GLU 76 -10.470 2.166 6.185 566 HB3 GLU 76 HB1 GLU 76 -10.531 3.495 5.038 567 HG2 GLU 76 HG2 GLU 76 -9.623 4.026 7.324 568 HG3 GLU 76 HG1 GLU 76 -10.903 5.080 6.732 569 H ILE 77 HN ILE 77 -12.042 0.550 4.668 570 HA ILE 77 HA ILE 77 -12.109 1.110 1.939 571 HB ILE 77 HB ILE 77 -12.970 -1.461 3.281 572 HG12 ILE 77 HG12 ILE 77 -10.229 -0.579 2.324 573 HG13 ILE 77 HG11 ILE 77 -10.723 -0.796 4.002 574 HG21 ILE 77 HG21 ILE 77 -11.965 -0.965 0.479 575 HG22 ILE 77 HG22 ILE 77 -13.629 -1.334 0.928 576 HG23 ILE 77 HG23 ILE 77 -12.363 -2.536 1.174 577 HD11 ILE 77 HD11 ILE 77 -11.051 -3.190 3.581 578 HD12 ILE 77 HD12 ILE 77 -9.398 -2.676 3.247 579 HD13 ILE 77 HD13 ILE 77 -10.518 -2.960 1.916 580 H GLU 78 HN GLU 78 -14.732 0.145 4.109 581 HA GLU 78 HA GLU 78 -16.796 -0.041 2.216 582 HB2 GLU 78 HB2 GLU 78 -16.849 -0.808 4.623 583 HB3 GLU 78 HB1 GLU 78 -17.052 0.873 5.089 584 HG2 GLU 78 HG2 GLU 78 -19.187 -0.152 5.115 585 HG3 GLU 78 HG1 GLU 78 -19.131 0.929 3.722 586 H ARG 79 HN ARG 79 -15.520 2.671 4.054 587 HA ARG 79 HA ARG 79 -17.473 4.567 3.321 588 HB2 ARG 79 HB2 ARG 79 -15.856 4.776 5.226 589 HB3 ARG 79 HB1 ARG 79 -14.595 5.112 4.052 590 HG2 ARG 79 HG2 ARG 79 -15.350 7.183 4.959 591 HG3 ARG 79 HG1 ARG 79 -15.910 7.079 3.289 592 HD2 ARG 79 HD2 ARG 79 -17.660 7.946 4.763 593 HD3 ARG 79 HD1 ARG 79 -18.122 6.396 4.062 594 HE ARG 79 HE ARG 79 -16.978 5.749 6.458 595 HH11 ARG 79 HH11 ARG 79 -19.612 7.853 5.496 596 HH12 ARG 79 HH12 ARG 79 -20.509 7.604 6.959 597 HH21 ARG 79 HH21 ARG 79 -18.131 5.442 8.386 598 HH22 ARG 79 HH22 ARG 79 -19.663 6.225 8.610 599 H LEU 80 HN LEU 80 -14.650 3.350 1.687 600 HA LEU 80 HA LEU 80 -14.220 5.496 -0.100 601 HB2 LEU 80 HB2 LEU 80 -13.656 2.556 -0.490 602 HB3 LEU 80 HB1 LEU 80 -13.033 3.845 -1.500 603 HG LEU 80 HG LEU 80 -12.363 3.325 1.397 604 HD11 LEU 80 HD11 LEU 80 -10.114 2.947 0.533 605 HD12 LEU 80 HD12 LEU 80 -10.689 3.230 -1.108 606 HD13 LEU 80 HD13 LEU 80 -11.273 1.837 -0.198 607 HD21 LEU 80 HD21 LEU 80 -12.441 5.717 1.093 608 HD22 LEU 80 HD22 LEU 80 -11.517 5.597 -0.402 609 HD23 LEU 80 HD23 LEU 80 -10.755 5.206 1.137 610 H MET 81 HN MET 81 -16.702 3.172 0.073 611 HA MET 81 HA MET 81 -17.396 3.307 -2.743 612 HB2 MET 81 HB2 MET 81 -18.955 2.101 -0.445 613 HB3 MET 81 HB1 MET 81 -19.237 1.826 -2.159 614 HG2 MET 81 HG2 MET 81 -17.044 0.749 -2.339 615 HG3 MET 81 HG1 MET 81 -16.784 1.013 -0.613 616 HE1 MET 81 HE1 MET 81 -18.835 -0.892 -3.340 617 HE2 MET 81 HE2 MET 81 -20.115 -0.041 -2.475 618 HE3 MET 81 HE3 MET 81 -19.997 -1.797 -2.370 619 H GLU 82 HN GLU 82 -17.523 5.504 -0.486 620 HA GLU 82 HA GLU 82 -20.190 6.518 -1.205 621 HB2 GLU 82 HB2 GLU 82 -19.692 6.029 1.248 622 HB3 GLU 82 HB1 GLU 82 -18.533 7.345 1.183 623 HG2 GLU 82 HG2 GLU 82 -20.649 8.052 2.139 624 HG3 GLU 82 HG1 GLU 82 -20.303 8.905 0.639 625 H ALA 83 HN ALA 83 -20.311 8.893 -1.521 626 HA ALA 83 HA ALA 83 -18.363 9.919 -3.225 627 HB1 ALA 83 HB1 ALA 83 -19.445 12.092 -2.929 628 HB2 ALA 83 HB2 ALA 83 -20.302 11.478 -1.515 629 HB3 ALA 83 HB3 ALA 83 -20.637 10.807 -3.111 630 H ASP 84 HN ASP 84 -18.836 10.534 0.232 631 HA ASP 84 HA ASP 84 -16.737 12.343 0.621 632 HB2 ASP 84 HB2 ASP 84 -17.745 10.322 2.641 633 HB3 ASP 84 HB1 ASP 84 -16.956 11.859 2.983 634 H GLY 85 HN GLY 85 -16.789 8.877 0.359 635 HA2 GLY 85 HA2 GLY 85 -14.270 8.457 1.676 636 HA3 GLY 85 HA1 GLY 85 -15.210 7.259 0.790 637 H ALA 86 HN ALA 86 -15.371 8.203 -1.719 638 HA ALA 86 HA ALA 86 -12.940 7.810 -2.919 639 HB1 ALA 86 HB1 ALA 86 -13.922 8.747 -4.936 640 HB2 ALA 86 HB2 ALA 86 -15.208 9.488 -3.982 641 HB3 ALA 86 HB3 ALA 86 -15.092 7.732 -4.091 642 H ALA 87 HN ALA 87 -14.378 10.860 -1.852 643 HA ALA 87 HA ALA 87 -12.449 12.600 -2.865 644 HB1 ALA 87 HB1 ALA 87 -14.579 13.335 -1.900 645 HB2 ALA 87 HB2 ALA 87 -13.208 14.181 -1.184 646 HB3 ALA 87 HB3 ALA 87 -14.003 12.881 -0.297 647 H ARG 88 HN ARG 88 -12.450 10.625 0.055 648 HA ARG 88 HA ARG 88 -10.087 11.819 1.147 649 HB2 ARG 88 HB2 ARG 88 -11.345 9.136 1.741 650 HB3 ARG 88 HB1 ARG 88 -10.060 9.885 2.677 651 HG2 ARG 88 HG2 ARG 88 -11.681 11.830 3.013 652 HG3 ARG 88 HG1 ARG 88 -12.927 10.725 2.425 653 HD2 ARG 88 HD2 ARG 88 -11.159 10.394 4.835 654 HD3 ARG 88 HD1 ARG 88 -12.906 10.619 4.812 655 HE ARG 88 HE ARG 88 -12.037 8.275 3.405 656 HH11 ARG 88 HH11 ARG 88 -12.901 9.588 6.528 657 HH12 ARG 88 HH12 ARG 88 -13.295 8.044 7.212 658 HH21 ARG 88 HH21 ARG 88 -12.531 6.226 4.317 659 HH22 ARG 88 HH22 ARG 88 -13.077 6.134 5.958 660 H PHE 89 HN PHE 89 -10.785 9.158 -1.015 661 HA PHE 89 HA PHE 89 -8.250 7.934 -0.978 662 HB2 PHE 89 HB2 PHE 89 -10.227 6.843 -1.957 663 HB3 PHE 89 HB1 PHE 89 -10.270 8.056 -3.235 664 HD1 PHE 89 HD2 PHE 89 -8.040 5.450 -1.771 665 HD2 PHE 89 HD1 PHE 89 -9.190 7.634 -5.245 666 HE1 PHE 89 HE2 PHE 89 -6.561 4.051 -3.141 667 HE2 PHE 89 HE1 PHE 89 -7.714 6.230 -6.616 668 HZ PHE 89 HZ PHE 89 -6.396 4.436 -5.565 669 H GLU 90 HN GLU 90 -9.598 10.518 -3.003 670 HA GLU 90 HA GLU 90 -7.319 10.855 -4.632 671 HB2 GLU 90 HB2 GLU 90 -9.477 12.830 -3.855 672 HB3 GLU 90 HB1 GLU 90 -8.274 13.121 -5.101 673 HG2 GLU 90 HG2 GLU 90 -9.146 11.172 -6.347 674 HG3 GLU 90 HG1 GLU 90 -10.400 10.986 -5.121 675 H ARG 91 HN ARG 91 -8.288 12.218 -1.547 676 HA ARG 91 HA ARG 91 -6.171 14.110 -1.382 677 HB2 ARG 91 HB2 ARG 91 -8.350 14.190 -0.103 678 HB3 ARG 91 HB1 ARG 91 -7.723 12.895 0.907 679 HG2 ARG 91 HG2 ARG 91 -7.413 14.983 2.031 680 HG3 ARG 91 HG1 ARG 91 -5.836 14.361 1.544 681 HD2 ARG 91 HD2 ARG 91 -5.905 15.837 -0.434 682 HD3 ARG 91 HD1 ARG 91 -7.436 16.495 0.138 683 HE ARG 91 HE ARG 91 -5.486 16.740 2.158 684 HH11 ARG 91 HH11 ARG 91 -6.369 18.075 -0.949 685 HH12 ARG 91 HH12 ARG 91 -5.627 19.614 -0.644 686 HH21 ARG 91 HH21 ARG 91 -4.509 18.768 2.568 687 HH22 ARG 91 HH22 ARG 91 -4.579 20.011 1.360 688 H TYR 92 HN TYR 92 -6.518 10.741 -0.596 689 HA TYR 92 HA TYR 92 -4.243 10.569 1.127 690 HB2 TYR 92 HB2 TYR 92 -6.074 8.942 1.275 691 HB3 TYR 92 HB1 TYR 92 -5.755 8.415 -0.373 692 HD1 TYR 92 HD1 TYR 92 -4.162 8.642 2.988 693 HD2 TYR 92 HD2 TYR 92 -4.296 6.631 -0.762 694 HE1 TYR 92 HE1 TYR 92 -2.599 6.948 3.846 695 HE2 TYR 92 HE2 TYR 92 -2.732 4.931 0.089 696 HH TYR 92 HH TYR 92 -1.952 4.641 3.391 697 H LEU 93 HN LEU 93 -4.853 10.131 -2.305 698 HA LEU 93 HA LEU 93 -2.355 9.031 -3.004 699 HB2 LEU 93 HB2 LEU 93 -4.155 10.794 -4.672 700 HB3 LEU 93 HB1 LEU 93 -2.849 9.801 -5.288 701 HG LEU 93 HG LEU 93 -5.378 8.777 -3.988 702 HD11 LEU 93 HD11 LEU 93 -5.909 7.950 -6.225 703 HD12 LEU 93 HD12 LEU 93 -4.462 8.735 -6.855 704 HD13 LEU 93 HD13 LEU 93 -5.774 9.708 -6.193 705 HD21 LEU 93 HD21 LEU 93 -3.553 7.271 -3.519 706 HD22 LEU 93 HD22 LEU 93 -3.044 7.307 -5.207 707 HD23 LEU 93 HD23 LEU 93 -4.582 6.567 -4.765 708 H ALA 94 HN ALA 94 -3.486 12.344 -2.652 709 HA ALA 94 HA ALA 94 -1.085 13.579 -3.526 710 HB1 ALA 94 HB1 ALA 94 -3.241 14.740 -3.504 711 HB2 ALA 94 HB2 ALA 94 -2.020 15.621 -2.585 712 HB3 ALA 94 HB3 ALA 94 -3.253 14.681 -1.741 713 H ALA 95 HN ALA 95 -1.904 11.960 -0.641 714 HA ALA 95 HA ALA 95 0.167 13.375 0.883 715 HB1 ALA 95 HB1 ALA 95 -2.053 13.232 1.917 716 HB2 ALA 95 HB2 ALA 95 -0.827 12.392 2.868 717 HB3 ALA 95 HB3 ALA 95 -1.952 11.473 1.869 718 H LEU 96 HN LEU 96 -0.075 10.729 -1.045 719 HA LEU 96 HA LEU 96 1.037 8.615 0.326 720 HB2 LEU 96 HB2 LEU 96 1.306 9.441 -2.545 721 HB3 LEU 96 HB1 LEU 96 2.089 8.000 -1.936 722 HG LEU 96 HG LEU 96 -0.879 8.483 -1.765 723 HD11 LEU 96 HD11 LEU 96 -1.061 6.922 -3.644 724 HD12 LEU 96 HD12 LEU 96 0.697 6.891 -3.783 725 HD13 LEU 96 HD13 LEU 96 -0.185 8.385 -4.094 726 HD21 LEU 96 HD21 LEU 96 -0.944 6.044 -1.379 727 HD22 LEU 96 HD22 LEU 96 -0.074 6.909 -0.114 728 HD23 LEU 96 HD23 LEU 96 0.819 6.025 -1.350 729 HA PRO 97 HA PRO 97 5.547 10.156 -0.770 730 HB2 PRO 97 HB2 PRO 97 5.741 12.904 -0.954 731 HB3 PRO 97 HB1 PRO 97 5.692 11.809 -2.338 732 HG2 PRO 97 HG2 PRO 97 3.478 13.396 -1.102 733 HG3 PRO 97 HG1 PRO 97 3.835 13.120 -2.818 734 HD2 PRO 97 HD2 PRO 97 1.889 11.770 -1.576 735 HD3 PRO 97 HD1 PRO 97 2.921 10.983 -2.787 736 H ARG 98 HN ARG 98 3.237 12.018 1.092 737 HA ARG 98 HA ARG 98 5.132 13.016 2.992 738 HB2 ARG 98 HB2 ARG 98 2.929 14.101 2.460 739 HB3 ARG 98 HB1 ARG 98 2.132 12.779 3.295 740 HG2 ARG 98 HG2 ARG 98 3.400 13.403 5.346 741 HG3 ARG 98 HG1 ARG 98 3.995 14.820 4.480 742 HD2 ARG 98 HD2 ARG 98 2.143 15.581 5.704 743 HD3 ARG 98 HD1 ARG 98 1.561 15.389 4.052 744 HE ARG 98 HE ARG 98 1.098 13.031 5.558 745 HH11 ARG 98 HH11 ARG 98 -0.108 16.275 5.059 746 HH12 ARG 98 HH12 ARG 98 -1.696 15.917 5.656 747 HH21 ARG 98 HH21 ARG 98 -1.004 12.551 6.339 748 HH22 ARG 98 HH22 ARG 98 -2.211 13.808 6.385 749 H LYS 99 HN LYS 99 2.795 10.368 2.925 750 HA LYS 99 HA LYS 99 3.287 9.627 5.656 751 HB2 LYS 99 HB2 LYS 99 1.812 8.227 3.427 752 HB3 LYS 99 HB1 LYS 99 1.901 7.625 5.073 753 HG2 LYS 99 HG2 LYS 99 0.876 9.804 5.805 754 HG3 LYS 99 HG1 LYS 99 0.590 10.146 4.099 755 HD2 LYS 99 HD2 LYS 99 -1.410 9.207 5.023 756 HD3 LYS 99 HD1 LYS 99 -0.681 8.010 3.951 757 HE2 LYS 99 HE2 LYS 99 -1.456 6.952 5.994 758 HE3 LYS 99 HE1 LYS 99 0.300 6.880 5.900 759 HZ1 LYS 99 HZ1 LYS 99 -1.248 8.856 7.485 760 HZ2 LYS 99 HZ2 LYS 99 0.437 8.735 7.428 761 HZ3 LYS 99 HZ3 LYS 99 -0.477 7.493 8.115 762 H LEU 100 HN LEU 100 4.368 8.641 2.498 763 HA LEU 100 HA LEU 100 5.680 6.267 3.131 764 HB2 LEU 100 HB2 LEU 100 5.223 7.332 0.842 765 HB3 LEU 100 HB1 LEU 100 6.669 8.281 1.123 766 HG LEU 100 HG LEU 100 7.885 6.049 1.407 767 HD11 LEU 100 HD11 LEU 100 5.349 5.077 0.102 768 HD12 LEU 100 HD12 LEU 100 5.976 4.602 1.681 769 HD13 LEU 100 HD13 LEU 100 6.848 4.158 0.216 770 HD21 LEU 100 HD21 LEU 100 8.171 5.796 -1.005 771 HD22 LEU 100 HD22 LEU 100 8.160 7.496 -0.536 772 HD23 LEU 100 HD23 LEU 100 6.733 6.777 -1.282 773 H ALA 101 HN ALA 101 6.914 9.598 3.007 774 HA ALA 101 HA ALA 101 9.539 8.986 3.841 775 HB1 ALA 101 HB1 ALA 101 9.800 11.370 4.174 776 HB2 ALA 101 HB2 ALA 101 8.051 11.592 4.122 777 HB3 ALA 101 HB3 ALA 101 8.916 11.061 2.679 778 H ALA 102 HN ALA 102 6.591 9.640 5.583 779 HA ALA 102 HA ALA 102 7.730 10.141 8.120 780 HB1 ALA 102 HB1 ALA 102 5.420 10.730 7.563 781 HB2 ALA 102 HB2 ALA 102 5.503 9.718 9.005 782 HB3 ALA 102 HB3 ALA 102 5.011 9.017 7.462 783 H TRP 103 HN TRP 103 6.599 7.184 6.534 784 HA TRP 103 HA TRP 103 7.049 5.499 8.779 785 HB2 TRP 103 HB2 TRP 103 6.767 4.865 5.834 786 HB3 TRP 103 HB1 TRP 103 6.897 3.633 7.088 787 HD1 TRP 103 HD1 TRP 103 4.918 4.903 9.241 788 HE1 TRP 103 HE1 TRP 103 2.389 4.939 8.767 789 HE3 TRP 103 HE3 TRP 103 5.046 4.422 4.158 790 HZ2 TRP 103 HZ2 TRP 103 0.680 4.781 6.531 791 HZ3 TRP 103 HZ3 TRP 103 2.918 4.370 2.924 792 HH2 TRP 103 HH2 TRP 103 0.781 4.546 4.090 793 H GLU 104 HN GLU 104 9.038 6.598 6.122 794 HA GLU 104 HA GLU 104 11.157 4.799 6.328 795 HB2 GLU 104 HB2 GLU 104 11.279 7.747 5.673 796 HB3 GLU 104 HB1 GLU 104 12.570 6.594 5.383 797 HG2 GLU 104 HG2 GLU 104 10.992 5.345 3.889 798 HG3 GLU 104 HG1 GLU 104 9.875 6.703 4.061 799 H ASN 105 HN ASN 105 10.711 7.918 7.927 800 HA ASN 105 HA ASN 105 13.066 7.772 9.474 801 HB2 ASN 105 HB2 ASN 105 10.543 9.380 9.931 802 HB3 ASN 105 HB1 ASN 105 12.060 9.630 10.787 803 HD21 ASN 105 HD21 ASN 105 13.639 9.058 8.345 804 HD22 ASN 105 HD22 ASN 105 13.499 10.479 7.369 805 H ALA 106 HN ALA 106 9.828 6.572 10.009 806 HA ALA 106 HA ALA 106 10.213 6.206 12.833 807 HB1 ALA 106 HB1 ALA 106 7.995 5.241 12.826 808 HB2 ALA 106 HB2 ALA 106 8.013 5.160 11.065 809 HB3 ALA 106 HB3 ALA 106 8.010 6.726 11.875 810 H ARG 107 HN ARG 107 10.145 4.068 9.996 811 HA ARG 107 HA ARG 107 10.600 1.794 11.789 812 HB2 ARG 107 HB2 ARG 107 9.746 1.885 8.901 813 HB3 ARG 107 HB1 ARG 107 10.044 0.399 9.789 814 HG2 ARG 107 HG2 ARG 107 7.972 2.468 10.511 815 HG3 ARG 107 HG1 ARG 107 7.657 0.968 9.638 816 HD2 ARG 107 HD2 ARG 107 8.720 1.201 12.459 817 HD3 ARG 107 HD1 ARG 107 7.088 0.727 11.998 818 HE ARG 107 HE ARG 107 9.481 -0.863 11.287 819 HH11 ARG 107 HH11 ARG 107 6.208 -0.638 12.530 820 HH12 ARG 107 HH12 ARG 107 5.999 -2.354 12.625 821 HH21 ARG 107 HH21 ARG 107 9.218 -3.104 11.431 822 HH22 ARG 107 HH22 ARG 107 7.711 -3.762 12.008 823 H GLY 108 HN GLY 108 12.538 3.851 10.159 824 HA2 GLY 108 HA2 GLY 108 14.800 3.702 9.685 825 HA3 GLY 108 HA1 GLY 108 14.761 2.048 10.288 826 H VAL 109 HN VAL 109 13.198 3.742 7.615 827 HA VAL 109 HA VAL 109 14.114 1.602 5.806 828 HB VAL 109 HB VAL 109 11.403 2.958 5.778 829 HG11 VAL 109 HG11 VAL 109 10.832 1.422 3.970 830 HG12 VAL 109 HG12 VAL 109 12.480 0.799 3.976 831 HG13 VAL 109 HG13 VAL 109 12.174 2.475 3.521 832 HG21 VAL 109 HG21 VAL 109 10.485 0.768 6.309 833 HG22 VAL 109 HG22 VAL 109 11.598 1.308 7.567 834 HG23 VAL 109 HG23 VAL 109 12.112 0.097 6.395 835 H ASP 110 HN ASP 110 14.700 2.282 3.710 836 HA ASP 110 HA ASP 110 14.326 5.127 3.096 837 HB2 ASP 110 HB2 ASP 110 16.677 4.692 3.973 838 HB3 ASP 110 HB1 ASP 110 16.939 3.707 2.531 839 H PHE 111 HN PHE 111 12.963 4.980 1.431 840 HA PHE 111 HA PHE 111 12.864 2.730 -0.298 841 HB2 PHE 111 HB2 PHE 111 11.500 5.410 -0.341 842 HB3 PHE 111 HB1 PHE 111 11.256 4.223 -1.618 843 HD1 PHE 111 HD2 PHE 111 10.778 4.928 1.957 844 HD2 PHE 111 HD1 PHE 111 9.932 2.273 -1.256 845 HE1 PHE 111 HE2 PHE 111 9.051 3.834 3.320 846 HE2 PHE 111 HE1 PHE 111 8.200 1.176 0.099 847 HZ PHE 111 HZ PHE 111 7.817 1.891 2.414 848 H GLY 112 HN GLY 112 14.626 5.703 -0.413 849 HA2 GLY 112 HA2 GLY 112 15.205 5.560 -3.227 850 HA3 GLY 112 HA1 GLY 112 16.029 6.567 -2.043 851 H SER 113 HN SER 113 16.362 4.033 -0.401 852 HA SER 113 HA SER 113 18.834 3.163 -1.694 853 HB2 SER 113 HB2 SER 113 18.802 3.991 0.688 854 HB3 SER 113 HB1 SER 113 17.844 2.574 1.106 855 HG SER 113 HG SER 113 19.891 1.973 1.503 856 H ARG 114 HN ARG 114 15.651 2.138 -1.071 857 HA ARG 114 HA ARG 114 14.464 0.263 -1.465 858 HB2 ARG 114 HB2 ARG 114 16.849 -0.346 -3.201 859 HB3 ARG 114 HB1 ARG 114 15.440 -1.402 -3.110 860 HG2 ARG 114 HG2 ARG 114 14.031 0.526 -3.801 861 HG3 ARG 114 HG1 ARG 114 15.509 1.460 -4.042 862 HD2 ARG 114 HD2 ARG 114 14.863 -1.139 -5.424 863 HD3 ARG 114 HD1 ARG 114 14.610 0.456 -6.124 864 HE ARG 114 HE ARG 114 17.282 0.281 -5.332 865 HH11 ARG 114 HH11 ARG 114 15.102 -1.160 -7.666 866 HH12 ARG 114 HH12 ARG 114 16.355 -1.501 -8.819 867 HH21 ARG 114 HH21 ARG 114 18.936 -0.166 -6.846 868 HH22 ARG 114 HH22 ARG 114 18.537 -0.907 -8.363 869 H THR 115 HN THR 115 16.384 0.400 0.766 870 HA THR 115 HA THR 115 16.285 -2.442 1.459 871 HB THR 115 HB THR 115 18.459 -2.048 2.763 872 HG1 THR 115 HG1 THR 115 18.906 -0.036 0.817 873 HG21 THR 115 HG21 THR 115 18.373 -3.486 0.794 874 HG22 THR 115 HG22 THR 115 19.874 -2.561 0.818 875 HG23 THR 115 HG23 THR 115 18.559 -2.080 -0.255 876 H GLN 116 HN GLN 116 16.643 -2.633 3.955 877 HA GLN 116 HA GLN 116 15.620 -0.316 5.379 878 HB2 GLN 116 HB2 GLN 116 13.676 -1.457 6.254 879 HB3 GLN 116 HB1 GLN 116 13.620 -1.519 4.501 880 HG2 GLN 116 HG2 GLN 116 14.527 -3.822 4.597 881 HG3 GLN 116 HG1 GLN 116 14.425 -3.746 6.356 882 HE21 GLN 116 HE21 GLN 116 12.944 -5.387 6.544 883 HE22 GLN 116 HE22 GLN 116 11.310 -5.248 6.006 884 H ALA 117 HN ALA 117 15.873 -0.446 7.642 885 HA ALA 117 HA ALA 117 17.871 -2.368 8.524 886 HB1 ALA 117 HB1 ALA 117 18.079 0.007 9.140 887 HB2 ALA 117 HB2 ALA 117 17.964 -1.036 10.558 888 HB3 ALA 117 HB3 ALA 117 16.563 -0.105 10.032 889 H ASP 118 HN ASP 118 14.562 -2.161 8.373 890 HA ASP 118 HA ASP 118 13.918 -3.507 10.841 891 HB2 ASP 118 HB2 ASP 118 12.450 -1.836 9.460 892 HB3 ASP 118 HB1 ASP 118 12.058 -3.257 8.491 893 H ALA 119 HN ALA 119 13.006 -5.605 10.963 894 HA ALA 119 HA ALA 119 14.264 -7.516 9.223 895 HB1 ALA 119 HB1 ALA 119 14.065 -7.912 11.640 896 HB2 ALA 119 HB2 ALA 119 13.293 -9.191 10.704 897 HB3 ALA 119 HB3 ALA 119 12.309 -7.952 11.482 898 H LEU 120 HN LEU 120 11.027 -6.268 9.764 899 HA LEU 120 HA LEU 120 10.121 -6.972 7.184 900 HB2 LEU 120 HB2 LEU 120 10.011 -9.218 8.250 901 HB3 LEU 120 HB1 LEU 120 8.951 -8.563 9.474 902 HG LEU 120 HG LEU 120 7.296 -8.041 7.674 903 HD11 LEU 120 HD11 LEU 120 9.220 -9.625 5.990 904 HD12 LEU 120 HD12 LEU 120 8.757 -7.937 5.771 905 HD13 LEU 120 HD13 LEU 120 7.570 -9.215 5.527 906 HD21 LEU 120 HD21 LEU 120 7.073 -10.022 9.059 907 HD22 LEU 120 HD22 LEU 120 8.126 -10.921 7.965 908 HD23 LEU 120 HD23 LEU 120 6.552 -10.353 7.407 909 H VAL 121 HN VAL 121 8.551 -5.461 6.697 910 HA VAL 121 HA VAL 121 7.386 -4.115 9.036 911 HB VAL 121 HB VAL 121 9.000 -2.632 8.087 912 HG11 VAL 121 HG11 VAL 121 7.614 -2.949 5.435 913 HG12 VAL 121 HG12 VAL 121 9.192 -3.607 5.865 914 HG13 VAL 121 HG13 VAL 121 8.956 -1.861 5.783 915 HG21 VAL 121 HG21 VAL 121 7.601 -0.707 7.476 916 HG22 VAL 121 HG22 VAL 121 6.970 -1.580 8.871 917 HG23 VAL 121 HG23 VAL 121 6.220 -1.788 7.289 918 H LEU 122 HN LEU 122 5.490 -5.150 9.101 919 HA LEU 122 HA LEU 122 3.711 -4.886 6.770 920 HB2 LEU 122 HB2 LEU 122 3.242 -6.581 9.224 921 HB3 LEU 122 HB1 LEU 122 2.402 -6.670 7.689 922 HG LEU 122 HG LEU 122 5.264 -7.496 8.205 923 HD11 LEU 122 HD11 LEU 122 4.437 -9.747 7.711 924 HD12 LEU 122 HD12 LEU 122 2.797 -9.112 7.588 925 HD13 LEU 122 HD13 LEU 122 3.654 -9.052 9.129 926 HD21 LEU 122 HD21 LEU 122 3.654 -7.630 5.661 927 HD22 LEU 122 HD22 LEU 122 5.251 -8.333 5.911 928 HD23 LEU 122 HD23 LEU 122 5.042 -6.584 5.964 929 H LEU 123 HN LEU 123 2.608 -3.014 6.925 930 HA LEU 123 HA LEU 123 2.036 -1.944 9.587 931 HB2 LEU 123 HB2 LEU 123 1.722 -0.620 6.892 932 HB3 LEU 123 HB1 LEU 123 1.564 0.163 8.453 933 HG LEU 123 HG LEU 123 4.105 -0.995 7.309 934 HD11 LEU 123 HD11 LEU 123 3.367 1.052 6.190 935 HD12 LEU 123 HD12 LEU 123 4.830 1.314 7.139 936 HD13 LEU 123 HD13 LEU 123 3.271 1.866 7.752 937 HD21 LEU 123 HD21 LEU 123 4.065 -1.179 9.740 938 HD22 LEU 123 HD22 LEU 123 3.631 0.527 9.869 939 HD23 LEU 123 HD23 LEU 123 5.205 0.062 9.222 940 H GLY 124 HN GLY 124 0.170 -2.442 10.449 941 HA2 GLY 124 HA2 GLY 124 -2.180 -2.768 8.710 942 HA3 GLY 124 HA1 GLY 124 -2.014 -3.436 10.325 943 H GLY 125 HN GLY 125 -4.281 -2.093 9.680 944 HA2 GLY 125 HA2 GLY 125 -5.676 -0.590 10.698 945 HA3 GLY 125 HA1 GLY 125 -4.360 -0.217 11.800 946 H LEU 126 HN LEU 126 -3.974 0.190 8.348 947 HA LEU 126 HA LEU 126 -3.475 2.977 8.692 948 HB2 LEU 126 HB2 LEU 126 -3.508 1.136 6.352 949 HB3 LEU 126 HB1 LEU 126 -3.612 2.862 6.056 950 HG LEU 126 HG LEU 126 -1.482 3.125 7.374 951 HD11 LEU 126 HD11 LEU 126 -0.083 1.163 7.679 952 HD12 LEU 126 HD12 LEU 126 -1.384 0.128 7.094 953 HD13 LEU 126 HD13 LEU 126 -1.577 1.019 8.604 954 HD21 LEU 126 HD21 LEU 126 -1.532 3.171 4.940 955 HD22 LEU 126 HD22 LEU 126 -1.385 1.414 4.893 956 HD23 LEU 126 HD23 LEU 126 -0.063 2.395 5.529 957 H ASP 127 HN ASP 127 -4.590 4.714 7.971 958 HA ASP 127 HA ASP 127 -7.416 4.299 7.238 959 HB2 ASP 127 HB2 ASP 127 -6.206 6.482 8.971 960 HB3 ASP 127 HB1 ASP 127 -7.858 6.515 8.361 961 H PHE 128 HN PHE 128 -8.257 6.437 6.180 962 HA PHE 128 HA PHE 128 -6.231 7.299 4.234 963 HB2 PHE 128 HB2 PHE 128 -9.254 7.282 4.061 964 HB3 PHE 128 HB1 PHE 128 -8.203 7.995 2.841 965 HD1 PHE 128 HD2 PHE 128 -9.191 4.825 4.463 966 HD2 PHE 128 HD1 PHE 128 -7.083 6.654 1.247 967 HE1 PHE 128 HE2 PHE 128 -8.999 2.638 3.347 968 HE2 PHE 128 HE1 PHE 128 -6.890 4.476 0.127 969 HZ PHE 128 HZ PHE 128 -7.791 2.432 1.240 970 H GLU 129 HN GLU 129 -6.109 8.357 6.716 971 HA GLU 129 HA GLU 129 -7.522 10.899 6.747 972 HB2 GLU 129 HB2 GLU 129 -7.202 9.374 8.782 973 HB3 GLU 129 HB1 GLU 129 -5.517 9.873 8.759 974 HG2 GLU 129 HG2 GLU 129 -6.744 11.166 10.371 975 HG3 GLU 129 HG1 GLU 129 -6.219 12.203 9.045 976 H ALA 130 HN ALA 130 -6.618 12.346 5.406 977 HA ALA 130 HA ALA 130 -3.698 12.495 5.243 978 HB1 ALA 130 HB1 ALA 130 -5.790 13.769 3.486 979 HB2 ALA 130 HB2 ALA 130 -4.903 12.287 3.125 980 HB3 ALA 130 HB3 ALA 130 -4.046 13.827 3.232 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -22.914 -11.901 -4.509 2 H2 GLY 1 HT2 GLY 1 -22.515 -13.535 -4.365 3 H3 GLY 1 HT3 GLY 1 -21.290 -12.372 -4.484 4 HA2 GLY 1 HA1 GLY 1 -21.508 -13.132 -2.211 5 HA3 GLY 1 HA2 GLY 1 -21.922 -11.431 -2.369 6 H ALA 2 HN ALA 2 -22.809 -12.768 -0.179 7 HA ALA 2 HA ALA 2 -25.645 -12.525 -0.407 8 HB1 ALA 2 HB1 ALA 2 -25.399 -14.786 -1.319 9 HB2 ALA 2 HB2 ALA 2 -26.228 -14.816 0.238 10 HB3 ALA 2 HB3 ALA 2 -24.530 -15.279 0.134 11 H MET 3 HN MET 3 -26.712 -13.064 1.712 12 HA MET 3 HA MET 3 -26.944 -12.761 3.946 13 HB2 MET 3 HB2 MET 3 -24.066 -13.708 4.096 14 HB3 MET 3 HB1 MET 3 -25.197 -13.636 5.441 15 HG2 MET 3 HG2 MET 3 -25.417 -15.398 3.007 16 HG3 MET 3 HG1 MET 3 -24.968 -15.907 4.632 17 HE1 MET 3 HE1 MET 3 -27.281 -17.207 2.799 18 HE2 MET 3 HE2 MET 3 -28.537 -17.477 4.006 19 HE3 MET 3 HE3 MET 3 -26.855 -17.828 4.395 20 H GLY 4 HN GLY 4 -26.130 -10.561 2.314 21 HA2 GLY 4 HA2 GLY 4 -25.922 -8.312 3.179 22 HA3 GLY 4 HA1 GLY 4 -24.765 -8.925 4.355 23 H MET 5 HN MET 5 -24.178 -6.727 2.724 24 HA MET 5 HA MET 5 -22.478 -7.850 0.626 25 HB2 MET 5 HB2 MET 5 -22.290 -5.583 -0.259 26 HB3 MET 5 HB1 MET 5 -23.969 -6.065 -0.098 27 HG2 MET 5 HG2 MET 5 -24.182 -4.725 1.915 28 HG3 MET 5 HG1 MET 5 -22.479 -4.278 1.812 29 HE1 MET 5 HE1 MET 5 -22.863 -1.690 1.811 30 HE2 MET 5 HE2 MET 5 -24.558 -2.041 2.137 31 HE3 MET 5 HE3 MET 5 -24.122 -0.895 0.870 32 H SER 6 HN SER 6 -20.498 -8.302 1.138 33 HA SER 6 HA SER 6 -18.866 -6.386 2.540 34 HB2 SER 6 HB2 SER 6 -19.238 -9.162 3.691 35 HB3 SER 6 HB1 SER 6 -18.065 -7.975 4.255 36 HG SER 6 HG SER 6 -20.329 -6.708 4.266 37 HA PRO 7 HA PRO 7 -16.006 -9.817 0.605 38 HB2 PRO 7 HB2 PRO 7 -17.270 -11.676 -0.961 39 HB3 PRO 7 HB1 PRO 7 -16.824 -11.956 0.724 40 HG2 PRO 7 HG2 PRO 7 -19.463 -11.143 -0.429 41 HG3 PRO 7 HG1 PRO 7 -19.116 -12.340 0.833 42 HD2 PRO 7 HD2 PRO 7 -20.012 -9.886 1.448 43 HD3 PRO 7 HD1 PRO 7 -18.810 -10.707 2.465 44 H ASP 8 HN ASP 8 -18.847 -8.526 -0.809 45 HA ASP 8 HA ASP 8 -17.744 -8.395 -3.497 46 HB2 ASP 8 HB2 ASP 8 -19.869 -7.224 -4.062 47 HB3 ASP 8 HB1 ASP 8 -20.123 -8.808 -3.341 48 H THR 9 HN THR 9 -18.388 -6.285 -0.762 49 HA THR 9 HA THR 9 -17.593 -3.853 -1.956 50 HB THR 9 HB THR 9 -17.357 -4.640 0.956 51 HG1 THR 9 HG1 THR 9 -19.568 -3.871 -0.633 52 HG21 THR 9 HG21 THR 9 -17.649 -2.246 1.372 53 HG22 THR 9 HG22 THR 9 -17.714 -1.948 -0.365 54 HG23 THR 9 HG23 THR 9 -16.227 -2.548 0.373 55 H ALA 10 HN ALA 10 -15.880 -6.359 -0.171 56 HA ALA 10 HA ALA 10 -13.349 -5.148 -0.090 57 HB1 ALA 10 HB1 ALA 10 -13.951 -7.091 1.279 58 HB2 ALA 10 HB2 ALA 10 -12.477 -7.380 0.353 59 HB3 ALA 10 HB3 ALA 10 -14.003 -8.092 -0.172 60 H ARG 11 HN ARG 11 -14.906 -7.217 -2.488 61 HA ARG 11 HA ARG 11 -12.622 -7.459 -4.150 62 HB2 ARG 11 HB2 ARG 11 -14.592 -9.018 -4.188 63 HB3 ARG 11 HB1 ARG 11 -15.502 -7.755 -5.009 64 HG2 ARG 11 HG2 ARG 11 -13.968 -7.803 -6.871 65 HG3 ARG 11 HG1 ARG 11 -12.949 -8.975 -6.039 66 HD2 ARG 11 HD2 ARG 11 -14.830 -10.575 -6.062 67 HD3 ARG 11 HD1 ARG 11 -15.782 -9.406 -6.979 68 HE ARG 11 HE ARG 11 -13.552 -9.673 -8.477 69 HH11 ARG 11 HH11 ARG 11 -15.770 -12.005 -7.105 70 HH12 ARG 11 HH12 ARG 11 -15.537 -13.163 -8.375 71 HH21 ARG 11 HH21 ARG 11 -13.260 -11.189 -10.162 72 HH22 ARG 11 HH22 ARG 11 -14.116 -12.698 -10.117 73 H ARG 12 HN ARG 12 -15.223 -5.123 -3.914 74 HA ARG 12 HA ARG 12 -14.908 -3.782 -6.338 75 HB2 ARG 12 HB2 ARG 12 -15.730 -2.798 -3.613 76 HB3 ARG 12 HB1 ARG 12 -15.720 -1.750 -5.021 77 HG2 ARG 12 HG2 ARG 12 -17.295 -4.308 -4.849 78 HG3 ARG 12 HG1 ARG 12 -17.941 -2.721 -4.431 79 HD2 ARG 12 HD2 ARG 12 -18.620 -3.135 -6.650 80 HD3 ARG 12 HD1 ARG 12 -17.290 -1.987 -6.760 81 HE ARG 12 HE ARG 12 -16.757 -4.849 -7.124 82 HH11 ARG 12 HH11 ARG 12 -16.914 -1.602 -8.451 83 HH12 ARG 12 HH12 ARG 12 -16.086 -2.027 -9.913 84 HH21 ARG 12 HH21 ARG 12 -15.660 -5.401 -9.058 85 HH22 ARG 12 HH22 ARG 12 -15.384 -4.184 -10.264 86 H PHE 13 HN PHE 13 -13.311 -3.152 -3.212 87 HA PHE 13 HA PHE 13 -11.632 -1.091 -4.180 88 HB2 PHE 13 HB2 PHE 13 -12.060 -1.437 -1.783 89 HB3 PHE 13 HB1 PHE 13 -11.210 -2.972 -1.843 90 HD1 PHE 13 HD1 PHE 13 -10.854 0.667 -1.868 91 HD2 PHE 13 HD2 PHE 13 -8.789 -3.051 -1.926 92 HE1 PHE 13 HE1 PHE 13 -8.752 1.831 -1.339 93 HE2 PHE 13 HE2 PHE 13 -6.687 -1.897 -1.390 94 HZ PHE 13 HZ PHE 13 -6.656 0.527 -1.088 95 H ASP 14 HN ASP 14 -11.259 -4.552 -3.869 96 HA ASP 14 HA ASP 14 -8.622 -4.960 -4.558 97 HB2 ASP 14 HB2 ASP 14 -9.811 -6.845 -3.853 98 HB3 ASP 14 HB1 ASP 14 -11.142 -6.533 -4.956 99 H THR 15 HN THR 15 -11.348 -4.276 -6.649 100 HA THR 15 HA THR 15 -9.694 -4.800 -9.009 101 HB THR 15 HB THR 15 -12.665 -4.289 -8.916 102 HG1 THR 15 HG1 THR 15 -11.393 -6.351 -7.941 103 HG21 THR 15 HG21 THR 15 -10.875 -5.492 -11.028 104 HG22 THR 15 HG22 THR 15 -11.673 -3.922 -11.108 105 HG23 THR 15 HG23 THR 15 -12.632 -5.402 -11.115 106 H GLU 16 HN GLU 16 -11.608 -2.225 -7.499 107 HA GLU 16 HA GLU 16 -11.246 -0.530 -9.830 108 HB2 GLU 16 HB2 GLU 16 -13.420 -0.683 -8.621 109 HB3 GLU 16 HB1 GLU 16 -12.658 0.079 -7.231 110 HG2 GLU 16 HG2 GLU 16 -13.843 1.768 -8.381 111 HG3 GLU 16 HG1 GLU 16 -12.129 2.030 -8.711 112 H PHE 17 HN PHE 17 -10.176 -0.555 -6.427 113 HA PHE 17 HA PHE 17 -8.918 2.052 -6.942 114 HB2 PHE 17 HB2 PHE 17 -9.844 0.826 -4.346 115 HB3 PHE 17 HB1 PHE 17 -8.955 2.340 -4.459 116 HD1 PHE 17 HD1 PHE 17 -9.993 4.270 -5.694 117 HD2 PHE 17 HD2 PHE 17 -12.174 0.748 -4.706 118 HE1 PHE 17 HE1 PHE 17 -12.107 5.488 -6.015 119 HE2 PHE 17 HE2 PHE 17 -14.287 1.961 -5.026 120 HZ PHE 17 HZ PHE 17 -14.256 4.333 -5.680 121 H ALA 18 HN ALA 18 -8.249 -1.161 -5.631 122 HA ALA 18 HA ALA 18 -5.811 -0.604 -4.416 123 HB1 ALA 18 HB1 ALA 18 -7.087 -2.697 -4.136 124 HB2 ALA 18 HB2 ALA 18 -5.371 -2.955 -4.445 125 HB3 ALA 18 HB3 ALA 18 -6.546 -3.205 -5.733 126 HA PRO 19 HA PRO 19 -3.594 -1.855 -8.616 127 HB2 PRO 19 HB2 PRO 19 -5.648 -0.830 -10.513 128 HB3 PRO 19 HB1 PRO 19 -4.585 -2.239 -10.656 129 HG2 PRO 19 HG2 PRO 19 -7.156 -2.565 -10.117 130 HG3 PRO 19 HG1 PRO 19 -5.936 -3.554 -9.291 131 HD2 PRO 19 HD2 PRO 19 -7.434 -1.161 -8.282 132 HD3 PRO 19 HD1 PRO 19 -7.055 -2.683 -7.452 133 H ARG 20 HN ARG 20 -5.675 0.916 -8.131 134 HA ARG 20 HA ARG 20 -4.190 2.747 -9.730 135 HB2 ARG 20 HB2 ARG 20 -6.046 3.317 -7.410 136 HB3 ARG 20 HB1 ARG 20 -5.465 4.500 -8.570 137 HG2 ARG 20 HG2 ARG 20 -6.624 3.266 -10.364 138 HG3 ARG 20 HG1 ARG 20 -7.265 2.158 -9.148 139 HD2 ARG 20 HD2 ARG 20 -8.284 4.136 -8.006 140 HD3 ARG 20 HD1 ARG 20 -7.787 5.115 -9.385 141 HE ARG 20 HE ARG 20 -9.385 2.773 -10.002 142 HH11 ARG 20 HH11 ARG 20 -9.349 6.222 -9.384 143 HH12 ARG 20 HH12 ARG 20 -10.895 6.494 -10.119 144 HH21 ARG 20 HH21 ARG 20 -11.420 3.127 -10.965 145 HH22 ARG 20 HH22 ARG 20 -12.075 4.737 -11.023 146 H ILE 21 HN ILE 21 -4.185 1.850 -6.329 147 HA ILE 21 HA ILE 21 -2.267 3.783 -5.510 148 HB ILE 21 HB ILE 21 -2.939 1.135 -4.207 149 HG12 ILE 21 HG12 ILE 21 -4.059 3.894 -3.645 150 HG13 ILE 21 HG11 ILE 21 -4.910 2.630 -4.527 151 HG21 ILE 21 HG21 ILE 21 -1.672 3.612 -3.031 152 HG22 ILE 21 HG22 ILE 21 -0.821 2.125 -3.442 153 HG23 ILE 21 HG23 ILE 21 -2.040 2.118 -2.169 154 HD11 ILE 21 HD11 ILE 21 -4.837 1.217 -2.508 155 HD12 ILE 21 HD12 ILE 21 -5.704 2.731 -2.258 156 HD13 ILE 21 HD13 ILE 21 -4.065 2.543 -1.637 157 H ALA 22 HN ALA 22 -2.087 0.363 -6.396 158 HA ALA 22 HA ALA 22 0.605 -0.054 -5.794 159 HB1 ALA 22 HB1 ALA 22 0.436 -2.050 -7.144 160 HB2 ALA 22 HB2 ALA 22 -1.020 -1.433 -7.920 161 HB3 ALA 22 HB3 ALA 22 -1.042 -1.840 -6.203 162 H ARG 23 HN ARG 23 -0.899 0.926 -8.859 163 HA ARG 23 HA ARG 23 1.540 0.907 -10.313 164 HB2 ARG 23 HB2 ARG 23 0.304 1.973 -12.095 165 HB3 ARG 23 HB1 ARG 23 -0.704 0.729 -11.372 166 HG2 ARG 23 HG2 ARG 23 -1.818 2.519 -10.040 167 HG3 ARG 23 HG1 ARG 23 -0.908 3.703 -10.979 168 HD2 ARG 23 HD2 ARG 23 -1.915 2.752 -13.042 169 HD3 ARG 23 HD1 ARG 23 -2.905 1.702 -12.027 170 HE ARG 23 HE ARG 23 -3.063 4.571 -11.539 171 HH11 ARG 23 HH11 ARG 23 -4.551 1.711 -12.935 172 HH12 ARG 23 HH12 ARG 23 -6.110 2.459 -13.086 173 HH21 ARG 23 HH21 ARG 23 -5.102 5.534 -11.735 174 HH22 ARG 23 HH22 ARG 23 -6.422 4.630 -12.414 175 H ALA 24 HN ALA 24 -0.187 3.357 -8.481 176 HA ALA 24 HA ALA 24 1.321 5.582 -9.363 177 HB1 ALA 24 HB1 ALA 24 -0.192 5.224 -6.779 178 HB2 ALA 24 HB2 ALA 24 -0.870 5.811 -8.298 179 HB3 ALA 24 HB3 ALA 24 0.359 6.756 -7.458 180 H ILE 25 HN ILE 25 1.654 3.357 -6.644 181 HA ILE 25 HA ILE 25 3.767 4.725 -5.354 182 HB ILE 25 HB ILE 25 2.980 1.805 -5.259 183 HG12 ILE 25 HG12 ILE 25 1.255 3.343 -4.416 184 HG13 ILE 25 HG11 ILE 25 1.948 2.390 -3.108 185 HG21 ILE 25 HG21 ILE 25 4.332 1.639 -3.238 186 HG22 ILE 25 HG22 ILE 25 4.848 3.314 -3.434 187 HG23 ILE 25 HG23 ILE 25 5.324 2.099 -4.622 188 HD11 ILE 25 HD11 ILE 25 1.653 4.641 -2.365 189 HD12 ILE 25 HD12 ILE 25 2.532 5.268 -3.759 190 HD13 ILE 25 HD13 ILE 25 3.382 4.328 -2.532 191 H ALA 26 HN ALA 26 3.710 1.998 -7.614 192 HA ALA 26 HA ALA 26 6.459 1.502 -7.684 193 HB1 ALA 26 HB1 ALA 26 4.411 1.064 -9.852 194 HB2 ALA 26 HB2 ALA 26 4.810 -0.062 -8.555 195 HB3 ALA 26 HB3 ALA 26 6.013 0.329 -9.784 196 H ASP 27 HN ASP 27 4.453 3.660 -9.635 197 HA ASP 27 HA ASP 27 6.566 4.476 -11.359 198 HB2 ASP 27 HB2 ASP 27 4.188 4.629 -12.004 199 HB3 ASP 27 HB1 ASP 27 3.940 5.855 -10.767 200 H LEU 28 HN LEU 28 5.357 5.559 -8.291 201 HA LEU 28 HA LEU 28 6.605 8.122 -8.280 202 HB2 LEU 28 HB2 LEU 28 4.681 7.567 -6.848 203 HB3 LEU 28 HB1 LEU 28 5.641 6.367 -6.013 204 HG LEU 28 HG LEU 28 7.133 8.221 -5.215 205 HD11 LEU 28 HD11 LEU 28 6.203 10.504 -5.285 206 HD12 LEU 28 HD12 LEU 28 4.952 9.936 -6.391 207 HD13 LEU 28 HD13 LEU 28 6.646 9.895 -6.879 208 HD21 LEU 28 HD21 LEU 28 5.402 7.253 -3.790 209 HD22 LEU 28 HD22 LEU 28 4.217 8.377 -4.454 210 HD23 LEU 28 HD23 LEU 28 5.566 8.984 -3.494 211 H LEU 29 HN LEU 29 7.489 4.890 -7.332 212 HA LEU 29 HA LEU 29 10.008 5.700 -6.164 213 HB2 LEU 29 HB2 LEU 29 8.923 2.949 -6.784 214 HB3 LEU 29 HB1 LEU 29 10.352 3.292 -5.825 215 HG LEU 29 HG LEU 29 7.543 4.113 -5.094 216 HD11 LEU 29 HD11 LEU 29 7.773 1.716 -4.975 217 HD12 LEU 29 HD12 LEU 29 7.744 2.391 -3.347 218 HD13 LEU 29 HD13 LEU 29 9.272 1.875 -4.062 219 HD21 LEU 29 HD21 LEU 29 10.159 4.328 -3.618 220 HD22 LEU 29 HD22 LEU 29 8.578 4.571 -2.878 221 HD23 LEU 29 HD23 LEU 29 9.126 5.651 -4.159 222 H ASN 30 HN ASN 30 9.218 6.011 -9.120 223 HA ASN 30 HA ASN 30 10.300 6.093 -11.109 224 HB2 ASN 30 HB2 ASN 30 12.691 5.595 -9.333 225 HB3 ASN 30 HB1 ASN 30 12.821 5.944 -11.053 226 HD21 ASN 30 HD21 ASN 30 13.805 7.470 -8.762 227 HD22 ASN 30 HD22 ASN 30 13.088 9.037 -8.890 228 H HIS 31 HN HIS 31 9.234 3.558 -10.087 229 HA HIS 31 HA HIS 31 9.031 1.401 -10.735 230 HB2 HIS 31 HB2 HIS 31 10.617 2.363 -13.131 231 HB3 HIS 31 HB1 HIS 31 9.808 0.803 -13.031 232 HD1 HIS 31 HD1 HIS 31 7.257 0.768 -13.316 233 HD2 HIS 31 HD2 HIS 31 8.900 4.581 -13.458 234 HE1 HIS 31 HE1 HIS 31 5.419 2.266 -14.155 235 HE2 HIS 31 HE2 HIS 31 6.368 4.600 -13.985 236 H ARG 32 HN ARG 32 11.292 2.185 -9.056 237 HA ARG 32 HA ARG 32 13.291 0.173 -9.768 238 HB2 ARG 32 HB2 ARG 32 13.222 2.248 -7.573 239 HB3 ARG 32 HB1 ARG 32 14.520 1.079 -7.774 240 HG2 ARG 32 HG2 ARG 32 13.714 3.147 -9.809 241 HG3 ARG 32 HG1 ARG 32 15.087 3.274 -8.704 242 HD2 ARG 32 HD2 ARG 32 16.067 1.267 -9.704 243 HD3 ARG 32 HD1 ARG 32 14.695 1.144 -10.802 244 HE ARG 32 HE ARG 32 15.677 3.645 -11.241 245 HH11 ARG 32 HH11 ARG 32 17.031 0.421 -11.323 246 HH12 ARG 32 HH12 ARG 32 18.201 0.806 -12.543 247 HH21 ARG 32 HH21 ARG 32 17.196 4.152 -12.860 248 HH22 ARG 32 HH22 ARG 32 18.296 2.931 -13.415 249 H ALA 33 HN ALA 33 10.447 0.355 -8.138 250 HA ALA 33 HA ALA 33 11.098 -2.040 -6.572 251 HB1 ALA 33 HB1 ALA 33 9.525 -1.319 -4.845 252 HB2 ALA 33 HB2 ALA 33 9.230 0.176 -5.730 253 HB3 ALA 33 HB3 ALA 33 10.823 -0.143 -5.046 254 H HIS 34 HN HIS 34 9.386 -3.555 -6.392 255 HA HIS 34 HA HIS 34 7.401 -3.298 -8.558 256 HB2 HIS 34 HB2 HIS 34 9.080 -5.140 -8.807 257 HB3 HIS 34 HB1 HIS 34 8.518 -5.820 -7.286 258 HD1 HIS 34 HD1 HIS 34 7.690 -5.599 -10.899 259 HD2 HIS 34 HD2 HIS 34 5.953 -7.044 -7.405 260 HE1 HIS 34 HE1 HIS 34 5.820 -7.106 -11.643 261 HE2 HIS 34 HE2 HIS 34 4.887 -8.086 -9.514 262 H THR 35 HN THR 35 5.289 -3.351 -8.025 263 HA THR 35 HA THR 35 4.659 -3.891 -5.203 264 HB THR 35 HB THR 35 2.639 -2.468 -5.598 265 HG1 THR 35 HG1 THR 35 3.027 -1.008 -7.543 266 HG21 THR 35 HG21 THR 35 3.840 -0.354 -5.474 267 HG22 THR 35 HG22 THR 35 5.282 -1.113 -6.150 268 HG23 THR 35 HG23 THR 35 4.701 -1.591 -4.555 269 H ASP 36 HN ASP 36 3.007 -5.270 -4.689 270 HA ASP 36 HA ASP 36 1.710 -6.650 -6.942 271 HB2 ASP 36 HB2 ASP 36 3.518 -8.056 -5.978 272 HB3 ASP 36 HB1 ASP 36 2.730 -7.960 -4.407 273 H VAL 37 HN VAL 37 -0.412 -6.809 -6.816 274 HA VAL 37 HA VAL 37 -1.743 -5.682 -4.482 275 HB VAL 37 HB VAL 37 -2.921 -6.500 -7.145 276 HG11 VAL 37 HG11 VAL 37 -4.559 -6.487 -5.328 277 HG12 VAL 37 HG12 VAL 37 -4.859 -5.180 -6.472 278 HG13 VAL 37 HG13 VAL 37 -4.096 -4.835 -4.921 279 HG21 VAL 37 HG21 VAL 37 -2.956 -4.113 -7.668 280 HG22 VAL 37 HG22 VAL 37 -1.309 -4.681 -7.396 281 HG23 VAL 37 HG23 VAL 37 -2.143 -3.761 -6.143 282 H VAL 38 HN VAL 38 -1.949 -7.156 -2.912 283 HA VAL 38 HA VAL 38 -2.893 -9.844 -3.559 284 HB VAL 38 HB VAL 38 -2.268 -8.735 -0.823 285 HG11 VAL 38 HG11 VAL 38 -2.369 -11.558 -1.859 286 HG12 VAL 38 HG12 VAL 38 -3.590 -10.778 -0.853 287 HG13 VAL 38 HG13 VAL 38 -1.973 -11.070 -0.211 288 HG21 VAL 38 HG21 VAL 38 -0.298 -8.486 -2.239 289 HG22 VAL 38 HG22 VAL 38 -0.404 -10.188 -2.690 290 HG23 VAL 38 HG23 VAL 38 -0.055 -9.738 -1.021 291 H GLY 39 HN GLY 39 -4.994 -9.400 -4.205 292 HA2 GLY 39 HA2 GLY 39 -6.679 -7.846 -2.387 293 HA3 GLY 39 HA1 GLY 39 -7.057 -8.244 -4.058 294 H TYR 40 HN TYR 40 -9.067 -9.059 -3.607 295 HA TYR 40 HA TYR 40 -9.358 -11.083 -1.547 296 HB2 TYR 40 HB2 TYR 40 -11.053 -9.253 -1.895 297 HB3 TYR 40 HB1 TYR 40 -11.463 -10.006 -3.439 298 HD1 TYR 40 HD1 TYR 40 -11.489 -10.485 0.226 299 HD2 TYR 40 HD2 TYR 40 -12.892 -11.922 -3.528 300 HE1 TYR 40 HE1 TYR 40 -13.072 -11.959 1.389 301 HE2 TYR 40 HE2 TYR 40 -14.482 -13.399 -2.367 302 HH TYR 40 HH TYR 40 -14.697 -14.481 -0.148 303 H GLY 41 HN GLY 41 -8.810 -13.092 -2.034 304 HA2 GLY 41 HA2 GLY 41 -9.973 -14.282 -4.456 305 HA3 GLY 41 HA1 GLY 41 -8.245 -14.477 -4.164 306 H GLY 42 HN GLY 42 -9.885 -14.338 -1.262 307 HA2 GLY 42 HA2 GLY 42 -11.108 -16.240 -0.250 308 HA3 GLY 42 HA1 GLY 42 -9.981 -17.287 -1.106 309 H HIS 43 HN HIS 43 -7.577 -16.145 -0.646 310 HA HIS 43 HA HIS 43 -7.146 -16.800 2.143 311 HB2 HIS 43 HB2 HIS 43 -5.181 -15.906 0.005 312 HB3 HIS 43 HB1 HIS 43 -4.743 -16.464 1.615 313 HD1 HIS 43 HD1 HIS 43 -4.005 -18.806 1.648 314 HD2 HIS 43 HD2 HIS 43 -6.753 -18.113 -1.394 315 HE1 HIS 43 HE1 HIS 43 -4.218 -20.988 0.418 316 HE2 HIS 43 HE2 HIS 43 -5.784 -20.505 -1.497 317 H GLY 44 HN GLY 44 -6.757 -14.012 0.023 318 HA2 GLY 44 HA2 GLY 44 -6.305 -12.279 2.328 319 HA3 GLY 44 HA1 GLY 44 -6.149 -11.824 0.638 320 H HIS 45 HN HIS 45 -8.079 -11.619 3.357 321 HA HIS 45 HA HIS 45 -10.531 -11.214 1.854 322 HB2 HIS 45 HB2 HIS 45 -10.547 -12.330 4.113 323 HB3 HIS 45 HB1 HIS 45 -10.123 -10.778 4.819 324 HD1 HIS 45 HD1 HIS 45 -12.952 -12.624 3.238 325 HD2 HIS 45 HD2 HIS 45 -12.201 -8.898 4.926 326 HE1 HIS 45 HE1 HIS 45 -15.207 -11.552 3.541 327 HE2 HIS 45 HE2 HIS 45 -14.720 -9.250 4.447 328 HA PRO 46 HA PRO 46 -9.516 -6.713 2.797 329 HB2 PRO 46 HB2 PRO 46 -7.269 -6.210 4.402 330 HB3 PRO 46 HB1 PRO 46 -8.954 -6.187 4.940 331 HG2 PRO 46 HG2 PRO 46 -6.949 -8.012 5.735 332 HG3 PRO 46 HG1 PRO 46 -8.684 -8.139 6.064 333 HD2 PRO 46 HD2 PRO 46 -7.052 -9.459 3.949 334 HD3 PRO 46 HD1 PRO 46 -8.480 -10.057 4.814 335 H THR 47 HN THR 47 -8.647 -5.737 1.059 336 HA THR 47 HA THR 47 -6.522 -6.876 -0.399 337 HB THR 47 HB THR 47 -7.581 -4.059 -0.675 338 HG1 THR 47 HG1 THR 47 -8.711 -6.544 -1.293 339 HG21 THR 47 HG21 THR 47 -6.978 -4.345 -3.042 340 HG22 THR 47 HG22 THR 47 -6.365 -5.958 -2.695 341 HG23 THR 47 HG23 THR 47 -5.569 -4.547 -2.001 342 H GLN 48 HN GLN 48 -4.394 -6.340 -0.579 343 HA GLN 48 HA GLN 48 -3.357 -4.089 0.968 344 HB2 GLN 48 HB2 GLN 48 -1.617 -5.451 2.011 345 HB3 GLN 48 HB1 GLN 48 -3.207 -6.044 2.469 346 HG2 GLN 48 HG2 GLN 48 -3.017 -7.845 0.844 347 HG3 GLN 48 HG1 GLN 48 -1.441 -7.238 0.346 348 HE21 GLN 48 HE21 GLN 48 -3.220 -8.898 2.829 349 HE22 GLN 48 HE22 GLN 48 -1.846 -9.458 3.718 350 H VAL 49 HN VAL 49 -1.428 -3.257 0.143 351 HA VAL 49 HA VAL 49 -0.474 -4.572 -2.307 352 HB VAL 49 HB VAL 49 -1.547 -2.473 -2.895 353 HG11 VAL 49 HG11 VAL 49 -1.333 -1.275 -0.791 354 HG12 VAL 49 HG12 VAL 49 -0.667 -0.317 -2.113 355 HG13 VAL 49 HG13 VAL 49 0.413 -1.167 -1.009 356 HG21 VAL 49 HG21 VAL 49 1.458 -2.289 -3.077 357 HG22 VAL 49 HG22 VAL 49 0.307 -1.410 -4.082 358 HG23 VAL 49 HG23 VAL 49 0.401 -3.169 -4.182 359 H ARG 50 HN ARG 50 1.470 -5.363 -2.143 360 HA ARG 50 HA ARG 50 3.219 -4.320 -0.040 361 HB2 ARG 50 HB2 ARG 50 4.459 -6.473 -0.298 362 HB3 ARG 50 HB1 ARG 50 2.800 -6.647 0.252 363 HG2 ARG 50 HG2 ARG 50 2.162 -7.179 -2.103 364 HG3 ARG 50 HG1 ARG 50 3.884 -7.195 -2.496 365 HD2 ARG 50 HD2 ARG 50 2.991 -9.452 -2.044 366 HD3 ARG 50 HD1 ARG 50 4.272 -8.986 -0.926 367 HE ARG 50 HE ARG 50 1.912 -8.279 0.310 368 HH11 ARG 50 HH11 ARG 50 3.337 -11.229 -0.901 369 HH12 ARG 50 HH12 ARG 50 2.540 -12.241 0.259 370 HH21 ARG 50 HH21 ARG 50 0.850 -9.598 1.844 371 HH22 ARG 50 HH22 ARG 50 1.117 -11.315 1.819 372 H ILE 51 HN ILE 51 5.237 -3.652 -0.399 373 HA ILE 51 HA ILE 51 5.984 -3.190 -3.205 374 HB ILE 51 HB ILE 51 7.002 -1.681 -0.789 375 HG12 ILE 51 HG12 ILE 51 4.795 -0.817 -2.670 376 HG13 ILE 51 HG11 ILE 51 4.509 -1.475 -1.062 377 HG21 ILE 51 HG21 ILE 51 7.665 -0.013 -2.451 378 HG22 ILE 51 HG22 ILE 51 7.001 -1.021 -3.737 379 HG23 ILE 51 HG23 ILE 51 8.390 -1.581 -2.804 380 HD11 ILE 51 HD11 ILE 51 4.372 0.935 -1.033 381 HD12 ILE 51 HD12 ILE 51 5.995 1.059 -1.712 382 HD13 ILE 51 HD13 ILE 51 5.763 0.394 -0.096 383 H VAL 52 HN VAL 52 7.533 -4.500 -3.868 384 HA VAL 52 HA VAL 52 9.541 -5.443 -1.934 385 HB VAL 52 HB VAL 52 8.640 -6.822 -4.476 386 HG11 VAL 52 HG11 VAL 52 9.912 -8.735 -3.656 387 HG12 VAL 52 HG12 VAL 52 10.426 -7.805 -2.251 388 HG13 VAL 52 HG13 VAL 52 10.953 -7.327 -3.864 389 HG21 VAL 52 HG21 VAL 52 7.973 -7.483 -1.608 390 HG22 VAL 52 HG22 VAL 52 7.526 -8.437 -3.021 391 HG23 VAL 52 HG23 VAL 52 6.862 -6.818 -2.805 392 H ALA 53 HN ALA 53 11.647 -5.124 -2.397 393 HA ALA 53 HA ALA 53 12.254 -3.674 -4.878 394 HB1 ALA 53 HB1 ALA 53 14.253 -2.861 -3.697 395 HB2 ALA 53 HB2 ALA 53 13.758 -3.767 -2.267 396 HB3 ALA 53 HB3 ALA 53 12.761 -2.439 -2.858 397 HA PRO 54 HA PRO 54 14.410 -7.556 -5.838 398 HB2 PRO 54 HB2 PRO 54 14.455 -7.172 -8.523 399 HB3 PRO 54 HB1 PRO 54 13.035 -7.800 -7.674 400 HG2 PRO 54 HG2 PRO 54 13.573 -5.049 -8.697 401 HG3 PRO 54 HG1 PRO 54 12.057 -5.966 -8.683 402 HD2 PRO 54 HD2 PRO 54 12.702 -3.992 -6.877 403 HD3 PRO 54 HD1 PRO 54 11.540 -5.294 -6.560 404 H HIS 55 HN HIS 55 16.545 -7.925 -6.263 405 HA HIS 55 HA HIS 55 18.763 -7.473 -6.308 406 HB2 HIS 55 HB2 HIS 55 17.764 -5.497 -8.338 407 HB3 HIS 55 HB1 HIS 55 19.468 -5.568 -7.906 408 HD1 HIS 55 HD1 HIS 55 20.744 -7.796 -8.515 409 HD2 HIS 55 HD2 HIS 55 16.897 -7.456 -10.062 410 HE1 HIS 55 HE1 HIS 55 20.591 -9.510 -10.349 411 HE2 HIS 55 HE2 HIS 55 18.331 -9.142 -11.396 412 H ALA 56 HN ALA 56 17.712 -6.585 -4.055 413 HA ALA 56 HA ALA 56 18.294 -3.800 -3.593 414 HB1 ALA 56 HB1 ALA 56 17.777 -4.286 -1.259 415 HB2 ALA 56 HB2 ALA 56 17.736 -6.012 -1.619 416 HB3 ALA 56 HB3 ALA 56 16.533 -4.934 -2.328 417 H GLU 57 HN GLU 57 20.467 -4.540 -4.693 418 HA GLU 57 HA GLU 57 22.404 -5.327 -2.625 419 HB2 GLU 57 HB2 GLU 57 23.846 -5.981 -4.575 420 HB3 GLU 57 HB1 GLU 57 22.376 -6.928 -4.405 421 HG2 GLU 57 HG2 GLU 57 21.327 -5.455 -6.131 422 HG3 GLU 57 HG1 GLU 57 22.914 -4.727 -6.383 423 H HIS 58 HN HIS 58 24.716 -4.497 -3.446 424 HA HIS 58 HA HIS 58 26.107 -2.716 -3.342 425 HB2 HIS 58 HB2 HIS 58 25.296 -2.334 -5.676 426 HB3 HIS 58 HB1 HIS 58 24.038 -1.283 -5.038 427 HD1 HIS 58 HD1 HIS 58 27.779 -1.458 -5.483 428 HD2 HIS 58 HD2 HIS 58 24.848 1.312 -4.479 429 HE1 HIS 58 HE1 HIS 58 28.941 0.767 -5.415 430 HE2 HIS 58 HE2 HIS 58 27.181 2.405 -4.683 431 H VAL 59 HN VAL 59 24.933 -3.037 -1.114 432 HA VAL 59 HA VAL 59 24.416 -0.350 -0.153 433 HB VAL 59 HB VAL 59 22.168 -1.163 -0.639 434 HG11 VAL 59 HG11 VAL 59 21.229 -3.100 0.544 435 HG12 VAL 59 HG12 VAL 59 22.825 -3.459 1.202 436 HG13 VAL 59 HG13 VAL 59 22.546 -3.554 -0.537 437 HG21 VAL 59 HG21 VAL 59 21.162 -0.802 1.528 438 HG22 VAL 59 HG22 VAL 59 22.549 0.268 1.327 439 HG23 VAL 59 HG23 VAL 59 22.686 -1.176 2.329 440 H ARG 60 HN ARG 60 25.275 -0.029 1.829 441 HA ARG 60 HA ARG 60 26.239 -2.406 3.270 442 HB2 ARG 60 HB2 ARG 60 28.261 -1.065 3.896 443 HB3 ARG 60 HB1 ARG 60 28.153 -1.439 2.180 444 HG2 ARG 60 HG2 ARG 60 27.223 0.846 1.817 445 HG3 ARG 60 HG1 ARG 60 27.550 1.190 3.517 446 HD2 ARG 60 HD2 ARG 60 29.349 2.021 2.083 447 HD3 ARG 60 HD1 ARG 60 29.926 0.745 3.155 448 HE ARG 60 HE ARG 60 29.103 -0.082 0.492 449 HH11 ARG 60 HH11 ARG 60 31.739 0.808 2.613 450 HH12 ARG 60 HH12 ARG 60 32.951 0.036 1.642 451 HH21 ARG 60 HH21 ARG 60 30.696 -1.086 -0.797 452 HH22 ARG 60 HH22 ARG 60 32.357 -1.045 -0.299 453 H GLY 61 HN GLY 61 23.833 -0.844 3.631 454 HA2 GLY 61 HA2 GLY 61 24.350 0.393 6.254 455 HA3 GLY 61 HA1 GLY 61 22.922 0.681 5.266 456 H TYR 62 HN TYR 62 21.340 -1.011 5.088 457 HA TYR 62 HA TYR 62 21.385 -2.855 7.380 458 HB2 TYR 62 HB2 TYR 62 18.977 -2.219 5.660 459 HB3 TYR 62 HB1 TYR 62 18.997 -2.937 7.267 460 HD1 TYR 62 HD2 TYR 62 20.251 -1.331 9.063 461 HD2 TYR 62 HD1 TYR 62 18.238 -0.024 5.545 462 HE1 TYR 62 HE2 TYR 62 19.918 0.883 10.081 463 HE2 TYR 62 HE1 TYR 62 17.905 2.193 6.558 464 HH TYR 62 HH TYR 62 19.527 3.205 9.346 465 H ALA 63 HN ALA 63 21.128 -5.065 7.046 466 HA ALA 63 HA ALA 63 21.578 -5.947 4.290 467 HB1 ALA 63 HB1 ALA 63 21.875 -7.469 6.876 468 HB2 ALA 63 HB2 ALA 63 23.180 -6.703 5.971 469 HB3 ALA 63 HB3 ALA 63 22.300 -8.061 5.269 470 H HIS 64 HN HIS 64 19.046 -5.139 4.573 471 HA HIS 64 HA HIS 64 17.543 -7.639 4.464 472 HB2 HIS 64 HB2 HIS 64 16.679 -5.235 6.095 473 HB3 HIS 64 HB1 HIS 64 15.661 -6.628 5.738 474 HD1 HIS 64 HD1 HIS 64 16.275 -8.872 6.938 475 HD2 HIS 64 HD2 HIS 64 18.490 -5.576 8.162 476 HE1 HIS 64 HE1 HIS 64 17.381 -9.561 9.089 477 HE2 HIS 64 HE2 HIS 64 18.833 -7.607 9.729 478 HA PRO 65 HA PRO 65 16.223 -5.470 0.757 479 HB2 PRO 65 HB2 PRO 65 14.499 -7.431 -0.065 480 HB3 PRO 65 HB1 PRO 65 16.239 -7.474 -0.356 481 HG2 PRO 65 HG2 PRO 65 14.635 -8.852 1.754 482 HG3 PRO 65 HG1 PRO 65 15.997 -9.467 0.801 483 HD2 PRO 65 HD2 PRO 65 16.282 -8.635 3.351 484 HD3 PRO 65 HD1 PRO 65 17.566 -8.436 2.143 485 H LEU 66 HN LEU 66 14.382 -4.329 0.165 486 HA LEU 66 HA LEU 66 12.585 -3.771 2.306 487 HB2 LEU 66 HB2 LEU 66 13.530 -2.217 0.431 488 HB3 LEU 66 HB1 LEU 66 12.167 -2.805 -0.498 489 HG LEU 66 HG LEU 66 11.871 -1.460 2.187 490 HD11 LEU 66 HD11 LEU 66 11.676 -0.257 -0.568 491 HD12 LEU 66 HD12 LEU 66 12.925 0.080 0.633 492 HD13 LEU 66 HD13 LEU 66 11.253 0.549 0.943 493 HD21 LEU 66 HD21 LEU 66 9.906 -2.018 -0.032 494 HD22 LEU 66 HD22 LEU 66 9.559 -1.118 1.445 495 HD23 LEU 66 HD23 LEU 66 9.972 -2.830 1.532 496 H ASN 67 HN ASN 67 10.777 -4.742 2.764 497 HA ASN 67 HA ASN 67 9.008 -5.719 0.667 498 HB2 ASN 67 HB2 ASN 67 10.387 -7.706 1.363 499 HB3 ASN 67 HB1 ASN 67 9.782 -7.494 3.006 500 HD21 ASN 67 HD21 ASN 67 7.501 -7.745 3.362 501 HD22 ASN 67 HD22 ASN 67 6.565 -8.766 2.324 502 H LEU 68 HN LEU 68 7.504 -4.225 1.166 503 HA LEU 68 HA LEU 68 6.633 -4.015 3.977 504 HB2 LEU 68 HB2 LEU 68 7.665 -1.956 3.253 505 HB3 LEU 68 HB1 LEU 68 6.719 -1.944 1.776 506 HG LEU 68 HG LEU 68 4.664 -1.677 3.216 507 HD11 LEU 68 HD11 LEU 68 5.522 -2.459 5.320 508 HD12 LEU 68 HD12 LEU 68 5.044 -0.770 5.478 509 HD13 LEU 68 HD13 LEU 68 6.749 -1.192 5.334 510 HD21 LEU 68 HD21 LEU 68 5.022 0.714 3.560 511 HD22 LEU 68 HD22 LEU 68 5.660 0.183 2.004 512 HD23 LEU 68 HD23 LEU 68 6.758 0.485 3.350 513 H ALA 69 HN ALA 69 4.538 -4.439 4.399 514 HA ALA 69 HA ALA 69 2.708 -4.623 2.096 515 HB1 ALA 69 HB1 ALA 69 2.476 -6.053 4.737 516 HB2 ALA 69 HB2 ALA 69 3.104 -6.764 3.251 517 HB3 ALA 69 HB3 ALA 69 1.419 -6.247 3.340 518 H LEU 70 HN LEU 70 1.349 -3.006 1.967 519 HA LEU 70 HA LEU 70 0.653 -1.471 4.354 520 HB2 LEU 70 HB2 LEU 70 0.149 -0.979 1.411 521 HB3 LEU 70 HB1 LEU 70 -0.363 0.103 2.692 522 HG LEU 70 HG LEU 70 2.530 -0.603 2.166 523 HD11 LEU 70 HD11 LEU 70 1.607 0.507 0.219 524 HD12 LEU 70 HD12 LEU 70 2.695 1.583 1.095 525 HD13 LEU 70 HD13 LEU 70 0.948 1.786 1.239 526 HD21 LEU 70 HD21 LEU 70 1.216 1.578 3.785 527 HD22 LEU 70 HD22 LEU 70 2.948 1.421 3.499 528 HD23 LEU 70 HD23 LEU 70 2.093 0.186 4.423 529 H THR 71 HN THR 71 -1.123 -2.073 5.440 530 HA THR 71 HA THR 71 -3.397 -3.090 3.864 531 HB THR 71 HB THR 71 -4.126 -4.333 5.869 532 HG1 THR 71 HG1 THR 71 -1.775 -3.176 6.972 533 HG21 THR 71 HG21 THR 71 -2.748 -5.541 4.281 534 HG22 THR 71 HG22 THR 71 -2.330 -6.038 5.919 535 HG23 THR 71 HG23 THR 71 -1.280 -4.926 5.040 536 H TRP 72 HN TRP 72 -5.481 -2.358 4.492 537 HA TRP 72 HA TRP 72 -5.472 -0.029 6.285 538 HB2 TRP 72 HB2 TRP 72 -6.791 -0.256 3.570 539 HB3 TRP 72 HB1 TRP 72 -7.169 1.016 4.733 540 HD1 TRP 72 HD1 TRP 72 -5.195 2.816 5.242 541 HE1 TRP 72 HE1 TRP 72 -3.227 3.608 3.787 542 HE3 TRP 72 HE3 TRP 72 -5.133 -0.985 1.818 543 HZ2 TRP 72 HZ2 TRP 72 -1.842 2.747 1.491 544 HZ3 TRP 72 HZ3 TRP 72 -3.452 -0.918 0.021 545 HH2 TRP 72 HH2 TRP 72 -1.842 0.912 -0.133 546 H ASN 73 HN ASN 73 -7.332 0.354 7.433 547 HA ASN 73 HA ASN 73 -8.765 -1.863 8.340 548 HB2 ASN 73 HB2 ASN 73 -9.366 1.094 8.541 549 HB3 ASN 73 HB1 ASN 73 -10.256 -0.145 9.422 550 HD21 ASN 73 HD21 ASN 73 -8.562 2.090 10.362 551 HD22 ASN 73 HD22 ASN 73 -7.369 1.357 11.377 552 H THR 74 HN THR 74 -10.582 -2.827 7.720 553 HA THR 74 HA THR 74 -11.596 -2.526 5.142 554 HB THR 74 HB THR 74 -13.034 -3.813 7.471 555 HG1 THR 74 HG1 THR 74 -11.881 -5.720 6.316 556 HG21 THR 74 HG21 THR 74 -14.374 -3.538 5.412 557 HG22 THR 74 HG22 THR 74 -14.049 -5.231 5.776 558 HG23 THR 74 HG23 THR 74 -13.136 -4.413 4.510 559 H ASP 75 HN ASP 75 -12.564 -1.031 8.137 560 HA ASP 75 HA ASP 75 -15.090 -0.063 7.376 561 HB2 ASP 75 HB2 ASP 75 -13.046 1.086 9.292 562 HB3 ASP 75 HB1 ASP 75 -14.703 1.664 9.146 563 H GLU 76 HN GLU 76 -11.880 1.426 7.199 564 HA GLU 76 HA GLU 76 -12.550 3.756 5.833 565 HB2 GLU 76 HB2 GLU 76 -10.044 2.084 5.603 566 HB3 GLU 76 HB1 GLU 76 -10.215 3.721 4.988 567 HG2 GLU 76 HG2 GLU 76 -10.495 2.927 7.870 568 HG3 GLU 76 HG1 GLU 76 -9.045 3.608 7.142 569 H ILE 77 HN ILE 77 -11.643 0.580 4.549 570 HA ILE 77 HA ILE 77 -11.800 1.158 1.828 571 HB ILE 77 HB ILE 77 -12.469 -1.444 3.218 572 HG12 ILE 77 HG12 ILE 77 -9.853 -0.444 2.053 573 HG13 ILE 77 HG11 ILE 77 -10.216 -0.629 3.767 574 HG21 ILE 77 HG21 ILE 77 -11.911 -2.506 1.073 575 HG22 ILE 77 HG22 ILE 77 -11.722 -0.912 0.345 576 HG23 ILE 77 HG23 ILE 77 -13.301 -1.429 0.935 577 HD11 ILE 77 HD11 ILE 77 -10.098 -2.869 1.755 578 HD12 ILE 77 HD12 ILE 77 -10.397 -3.036 3.484 579 HD13 ILE 77 HD13 ILE 77 -8.833 -2.454 2.913 580 H GLU 78 HN GLU 78 -14.313 0.100 4.070 581 HA GLU 78 HA GLU 78 -16.438 -0.141 2.256 582 HB2 GLU 78 HB2 GLU 78 -16.536 -0.995 4.548 583 HB3 GLU 78 HB1 GLU 78 -16.430 0.639 5.183 584 HG2 GLU 78 HG2 GLU 78 -18.601 1.154 4.130 585 HG3 GLU 78 HG1 GLU 78 -18.709 -0.526 3.602 586 H ARG 79 HN ARG 79 -15.190 2.590 4.081 587 HA ARG 79 HA ARG 79 -17.213 4.435 3.445 588 HB2 ARG 79 HB2 ARG 79 -15.537 4.662 5.289 589 HB3 ARG 79 HB1 ARG 79 -14.316 5.018 4.079 590 HG2 ARG 79 HG2 ARG 79 -15.141 7.051 5.124 591 HG3 ARG 79 HG1 ARG 79 -15.548 7.012 3.406 592 HD2 ARG 79 HD2 ARG 79 -17.808 6.328 3.920 593 HD3 ARG 79 HD1 ARG 79 -17.418 6.221 5.635 594 HE ARG 79 HE ARG 79 -16.836 8.801 4.968 595 HH11 ARG 79 HH11 ARG 79 -19.666 6.763 4.696 596 HH12 ARG 79 HH12 ARG 79 -20.787 8.075 4.872 597 HH21 ARG 79 HH21 ARG 79 -18.312 10.535 5.232 598 HH22 ARG 79 HH22 ARG 79 -20.018 10.215 5.174 599 H LEU 80 HN LEU 80 -14.411 3.334 1.692 600 HA LEU 80 HA LEU 80 -14.090 5.595 0.011 601 HB2 LEU 80 HB2 LEU 80 -13.278 2.732 -0.483 602 HB3 LEU 80 HB1 LEU 80 -12.710 4.123 -1.385 603 HG LEU 80 HG LEU 80 -12.147 3.483 1.510 604 HD11 LEU 80 HD11 LEU 80 -10.851 2.185 -0.075 605 HD12 LEU 80 HD12 LEU 80 -9.831 3.366 0.746 606 HD13 LEU 80 HD13 LEU 80 -10.363 3.660 -0.908 607 HD21 LEU 80 HD21 LEU 80 -12.403 5.870 1.353 608 HD22 LEU 80 HD22 LEU 80 -11.414 5.925 -0.103 609 HD23 LEU 80 HD23 LEU 80 -10.683 5.497 1.441 610 H MET 81 HN MET 81 -16.433 3.165 0.065 611 HA MET 81 HA MET 81 -16.982 3.264 -2.790 612 HB2 MET 81 HB2 MET 81 -18.394 1.848 -0.522 613 HB3 MET 81 HB1 MET 81 -18.918 1.771 -2.197 614 HG2 MET 81 HG2 MET 81 -16.288 0.794 -1.097 615 HG3 MET 81 HG1 MET 81 -17.651 -0.200 -1.621 616 HE1 MET 81 HE1 MET 81 -18.462 -0.357 -4.175 617 HE2 MET 81 HE2 MET 81 -17.692 0.525 -5.494 618 HE3 MET 81 HE3 MET 81 -18.584 1.401 -4.251 619 H GLU 82 HN GLU 82 -17.673 5.125 -0.125 620 HA GLU 82 HA GLU 82 -20.264 6.039 -1.123 621 HB2 GLU 82 HB2 GLU 82 -18.740 6.685 1.415 622 HB3 GLU 82 HB1 GLU 82 -20.296 7.384 0.997 623 HG2 GLU 82 HG2 GLU 82 -19.751 4.458 1.422 624 HG3 GLU 82 HG1 GLU 82 -20.494 5.545 2.590 625 H ALA 83 HN ALA 83 -20.579 8.502 -1.075 626 HA ALA 83 HA ALA 83 -18.883 9.711 -2.928 627 HB1 ALA 83 HB1 ALA 83 -21.191 10.422 -2.549 628 HB2 ALA 83 HB2 ALA 83 -20.073 11.782 -2.449 629 HB3 ALA 83 HB3 ALA 83 -20.734 11.074 -0.976 630 H ASP 84 HN ASP 84 -19.025 10.184 0.593 631 HA ASP 84 HA ASP 84 -16.875 12.041 0.690 632 HB2 ASP 84 HB2 ASP 84 -18.129 10.298 2.822 633 HB3 ASP 84 HB1 ASP 84 -16.834 11.442 3.158 634 H GLY 85 HN GLY 85 -16.987 8.717 0.195 635 HA2 GLY 85 HA2 GLY 85 -14.491 8.019 1.422 636 HA3 GLY 85 HA1 GLY 85 -15.417 7.039 0.285 637 H ALA 86 HN ALA 86 -15.542 8.509 -1.959 638 HA ALA 86 HA ALA 86 -13.080 8.378 -3.175 639 HB1 ALA 86 HB1 ALA 86 -15.208 8.563 -4.377 640 HB2 ALA 86 HB2 ALA 86 -14.023 9.734 -4.954 641 HB3 ALA 86 HB3 ALA 86 -15.330 10.253 -3.889 642 H ALA 87 HN ALA 87 -14.542 11.085 -1.446 643 HA ALA 87 HA ALA 87 -12.636 13.047 -2.054 644 HB1 ALA 87 HB1 ALA 87 -14.788 13.534 -0.985 645 HB2 ALA 87 HB2 ALA 87 -13.437 14.215 -0.077 646 HB3 ALA 87 HB3 ALA 87 -14.228 12.744 0.489 647 H ARG 88 HN ARG 88 -12.640 10.495 0.377 648 HA ARG 88 HA ARG 88 -10.276 11.390 1.715 649 HB2 ARG 88 HB2 ARG 88 -11.700 8.730 1.668 650 HB3 ARG 88 HB1 ARG 88 -10.232 9.004 2.594 651 HG2 ARG 88 HG2 ARG 88 -11.414 10.829 3.807 652 HG3 ARG 88 HG1 ARG 88 -12.893 10.358 2.964 653 HD2 ARG 88 HD2 ARG 88 -12.773 8.137 3.928 654 HD3 ARG 88 HD1 ARG 88 -11.240 8.529 4.702 655 HE ARG 88 HE ARG 88 -13.309 10.330 5.476 656 HH11 ARG 88 HH11 ARG 88 -11.989 7.137 6.088 657 HH12 ARG 88 HH12 ARG 88 -12.612 7.049 7.703 658 HH21 ARG 88 HH21 ARG 88 -14.118 10.217 7.607 659 HH22 ARG 88 HH22 ARG 88 -13.821 8.800 8.566 660 H PHE 89 HN PHE 89 -10.962 9.133 -0.905 661 HA PHE 89 HA PHE 89 -8.413 7.950 -1.048 662 HB2 PHE 89 HB2 PHE 89 -10.495 7.055 -2.124 663 HB3 PHE 89 HB1 PHE 89 -10.367 8.334 -3.329 664 HD1 PHE 89 HD2 PHE 89 -8.587 5.378 -1.948 665 HD2 PHE 89 HD1 PHE 89 -9.035 8.055 -5.227 666 HE1 PHE 89 HE2 PHE 89 -7.117 3.955 -3.307 667 HE2 PHE 89 HE1 PHE 89 -7.562 6.638 -6.587 668 HZ PHE 89 HZ PHE 89 -6.651 4.541 -5.635 669 H GLU 90 HN GLU 90 -9.807 10.720 -2.792 670 HA GLU 90 HA GLU 90 -7.550 11.239 -4.396 671 HB2 GLU 90 HB2 GLU 90 -9.760 13.058 -3.433 672 HB3 GLU 90 HB1 GLU 90 -8.526 13.563 -4.577 673 HG2 GLU 90 HG2 GLU 90 -10.580 11.397 -4.969 674 HG3 GLU 90 HG1 GLU 90 -10.529 12.972 -5.758 675 H ARG 91 HN ARG 91 -8.508 12.360 -1.201 676 HA ARG 91 HA ARG 91 -6.436 14.264 -0.884 677 HB2 ARG 91 HB2 ARG 91 -8.525 14.246 0.446 678 HB3 ARG 91 HB1 ARG 91 -8.002 12.764 1.226 679 HG2 ARG 91 HG2 ARG 91 -7.639 14.685 2.660 680 HG3 ARG 91 HG1 ARG 91 -6.105 13.942 2.206 681 HD2 ARG 91 HD2 ARG 91 -5.992 16.386 2.104 682 HD3 ARG 91 HD1 ARG 91 -5.751 15.655 0.519 683 HE ARG 91 HE ARG 91 -8.480 16.334 0.930 684 HH11 ARG 91 HH11 ARG 91 -5.356 17.713 0.168 685 HH12 ARG 91 HH12 ARG 91 -6.017 19.063 -0.695 686 HH21 ARG 91 HH21 ARG 91 -9.362 18.115 -0.206 687 HH22 ARG 91 HH22 ARG 91 -8.300 19.298 -0.905 688 H TYR 92 HN TYR 92 -6.651 10.822 -0.385 689 HA TYR 92 HA TYR 92 -4.294 10.642 1.245 690 HB2 TYR 92 HB2 TYR 92 -6.175 8.995 1.357 691 HB3 TYR 92 HB1 TYR 92 -5.742 8.447 -0.258 692 HD1 TYR 92 HD1 TYR 92 -4.233 8.899 3.131 693 HD2 TYR 92 HD2 TYR 92 -4.301 6.644 -0.478 694 HE1 TYR 92 HE1 TYR 92 -2.637 7.302 4.105 695 HE2 TYR 92 HE2 TYR 92 -2.707 5.040 0.489 696 HH TYR 92 HH TYR 92 -1.947 4.955 3.785 697 H LEU 93 HN LEU 93 -5.061 10.385 -2.168 698 HA LEU 93 HA LEU 93 -2.635 9.259 -3.049 699 HB2 LEU 93 HB2 LEU 93 -4.448 11.189 -4.508 700 HB3 LEU 93 HB1 LEU 93 -3.187 10.226 -5.252 701 HG LEU 93 HG LEU 93 -5.682 9.148 -3.934 702 HD11 LEU 93 HD11 LEU 93 -4.878 9.327 -6.832 703 HD12 LEU 93 HD12 LEU 93 -6.154 10.250 -6.039 704 HD13 LEU 93 HD13 LEU 93 -6.307 8.501 -6.212 705 HD21 LEU 93 HD21 LEU 93 -3.859 7.586 -3.655 706 HD22 LEU 93 HD22 LEU 93 -3.429 7.733 -5.359 707 HD23 LEU 93 HD23 LEU 93 -4.958 6.987 -4.896 708 H ALA 94 HN ALA 94 -3.649 12.623 -2.632 709 HA ALA 94 HA ALA 94 -1.213 13.773 -3.501 710 HB1 ALA 94 HB1 ALA 94 -3.319 15.023 -3.405 711 HB2 ALA 94 HB2 ALA 94 -2.043 15.830 -2.491 712 HB3 ALA 94 HB3 ALA 94 -3.295 14.922 -1.644 713 H ALA 95 HN ALA 95 -2.127 12.206 -0.598 714 HA ALA 95 HA ALA 95 -0.061 13.524 0.986 715 HB1 ALA 95 HB1 ALA 95 -1.057 12.360 2.883 716 HB2 ALA 95 HB2 ALA 95 -2.160 11.522 1.793 717 HB3 ALA 95 HB3 ALA 95 -2.268 13.272 1.982 718 H LEU 96 HN LEU 96 -0.241 10.917 -1.050 719 HA LEU 96 HA LEU 96 0.963 8.808 0.239 720 HB2 LEU 96 HB2 LEU 96 1.326 9.735 -2.603 721 HB3 LEU 96 HB1 LEU 96 1.974 8.226 -1.998 722 HG LEU 96 HG LEU 96 -0.956 8.932 -2.022 723 HD11 LEU 96 HD11 LEU 96 -0.066 8.713 -4.285 724 HD12 LEU 96 HD12 LEU 96 -1.127 7.364 -3.882 725 HD13 LEU 96 HD13 LEU 96 0.623 7.145 -3.867 726 HD21 LEU 96 HD21 LEU 96 0.505 6.366 -1.407 727 HD22 LEU 96 HD22 LEU 96 -1.240 6.508 -1.610 728 HD23 LEU 96 HD23 LEU 96 -0.440 7.343 -0.281 729 HA PRO 97 HA PRO 97 5.397 10.584 -0.781 730 HB2 PRO 97 HB2 PRO 97 5.509 13.328 -0.879 731 HB3 PRO 97 HB1 PRO 97 5.446 12.283 -2.301 732 HG2 PRO 97 HG2 PRO 97 3.225 13.755 -0.931 733 HG3 PRO 97 HG1 PRO 97 3.551 13.586 -2.668 734 HD2 PRO 97 HD2 PRO 97 1.675 12.110 -1.471 735 HD3 PRO 97 HD1 PRO 97 2.710 11.419 -2.740 736 H ARG 98 HN ARG 98 3.040 12.271 1.193 737 HA ARG 98 HA ARG 98 4.990 13.189 3.111 738 HB2 ARG 98 HB2 ARG 98 1.972 13.102 3.290 739 HB3 ARG 98 HB1 ARG 98 3.031 13.896 4.444 740 HG2 ARG 98 HG2 ARG 98 2.662 14.631 1.550 741 HG3 ARG 98 HG1 ARG 98 2.058 15.517 2.950 742 HD2 ARG 98 HD2 ARG 98 4.949 15.068 2.220 743 HD3 ARG 98 HD1 ARG 98 4.054 16.576 2.066 744 HE ARG 98 HE ARG 98 3.840 15.949 4.707 745 HH11 ARG 98 HH11 ARG 98 6.518 16.318 2.496 746 HH12 ARG 98 HH12 ARG 98 7.617 16.891 3.710 747 HH21 ARG 98 HH21 ARG 98 5.281 16.711 6.322 748 HH22 ARG 98 HH22 ARG 98 6.911 17.118 5.890 749 H LYS 99 HN LYS 99 2.633 10.587 2.887 750 HA LYS 99 HA LYS 99 3.135 9.638 5.548 751 HB2 LYS 99 HB2 LYS 99 1.613 8.524 3.201 752 HB3 LYS 99 HB1 LYS 99 1.820 7.616 4.689 753 HG2 LYS 99 HG2 LYS 99 0.600 10.364 4.565 754 HG3 LYS 99 HG1 LYS 99 -0.335 8.868 4.519 755 HD2 LYS 99 HD2 LYS 99 0.207 8.314 6.714 756 HD3 LYS 99 HD1 LYS 99 1.623 9.363 6.734 757 HE2 LYS 99 HE2 LYS 99 -0.233 10.240 8.095 758 HE3 LYS 99 HE1 LYS 99 0.223 11.324 6.787 759 HZ1 LYS 99 HZ1 LYS 99 -2.121 9.505 6.835 760 HZ2 LYS 99 HZ2 LYS 99 -1.655 10.435 5.506 761 HZ3 LYS 99 HZ3 LYS 99 -2.149 11.196 6.932 762 H LEU 100 HN LEU 100 4.266 8.942 2.326 763 HA LEU 100 HA LEU 100 5.716 6.611 2.808 764 HB2 LEU 100 HB2 LEU 100 5.246 7.751 0.584 765 HB3 LEU 100 HB1 LEU 100 6.560 8.844 0.968 766 HG LEU 100 HG LEU 100 8.058 6.806 1.120 767 HD11 LEU 100 HD11 LEU 100 6.393 5.086 1.376 768 HD12 LEU 100 HD12 LEU 100 7.280 4.822 -0.124 769 HD13 LEU 100 HD13 LEU 100 5.661 5.517 -0.168 770 HD21 LEU 100 HD21 LEU 100 8.107 8.311 -0.784 771 HD22 LEU 100 HD22 LEU 100 6.754 7.452 -1.519 772 HD23 LEU 100 HD23 LEU 100 8.307 6.641 -1.313 773 H ALA 101 HN ALA 101 6.707 10.014 2.996 774 HA ALA 101 HA ALA 101 9.337 9.564 3.881 775 HB1 ALA 101 HB1 ALA 101 9.326 11.908 4.542 776 HB2 ALA 101 HB2 ALA 101 7.570 11.956 4.380 777 HB3 ALA 101 HB3 ALA 101 8.580 11.699 2.958 778 H ALA 102 HN ALA 102 6.278 9.813 5.596 779 HA ALA 102 HA ALA 102 7.308 10.047 8.200 780 HB1 ALA 102 HB1 ALA 102 4.969 10.504 7.634 781 HB2 ALA 102 HB2 ALA 102 5.102 9.334 8.947 782 HB3 ALA 102 HB3 ALA 102 4.714 8.789 7.314 783 H TRP 103 HN TRP 103 6.368 7.202 6.288 784 HA TRP 103 HA TRP 103 6.928 5.322 8.325 785 HB2 TRP 103 HB2 TRP 103 6.790 4.980 5.317 786 HB3 TRP 103 HB1 TRP 103 6.930 3.642 6.457 787 HD1 TRP 103 HD1 TRP 103 4.803 4.549 8.623 788 HE1 TRP 103 HE1 TRP 103 2.295 4.545 8.044 789 HE3 TRP 103 HE3 TRP 103 5.150 4.701 3.528 790 HZ2 TRP 103 HZ2 TRP 103 0.683 4.600 5.730 791 HZ3 TRP 103 HZ3 TRP 103 3.079 4.722 2.204 792 HH2 TRP 103 HH2 TRP 103 0.891 4.673 3.286 793 H GLU 104 HN GLU 104 8.923 6.796 5.829 794 HA GLU 104 HA GLU 104 11.165 5.120 6.104 795 HB2 GLU 104 HB2 GLU 104 11.126 8.074 5.457 796 HB3 GLU 104 HB1 GLU 104 12.485 6.994 5.205 797 HG2 GLU 104 HG2 GLU 104 10.999 5.676 3.655 798 HG3 GLU 104 HG1 GLU 104 9.846 7.010 3.771 799 H ASN 105 HN ASN 105 10.360 8.172 7.685 800 HA ASN 105 HA ASN 105 12.723 8.296 9.234 801 HB2 ASN 105 HB2 ASN 105 11.251 10.239 8.594 802 HB3 ASN 105 HB1 ASN 105 10.100 9.685 9.802 803 HD21 ASN 105 HD21 ASN 105 13.238 11.098 9.269 804 HD22 ASN 105 HD22 ASN 105 13.489 11.636 10.895 805 H ALA 106 HN ALA 106 9.498 7.033 9.885 806 HA ALA 106 HA ALA 106 10.122 6.696 12.704 807 HB1 ALA 106 HB1 ALA 106 7.920 7.546 12.023 808 HB2 ALA 106 HB2 ALA 106 7.800 6.059 12.964 809 HB3 ALA 106 HB3 ALA 106 7.595 6.015 11.213 810 H ARG 107 HN ARG 107 9.505 4.621 9.877 811 HA ARG 107 HA ARG 107 9.570 2.283 11.622 812 HB2 ARG 107 HB2 ARG 107 8.824 2.564 8.717 813 HB3 ARG 107 HB1 ARG 107 8.861 1.030 9.570 814 HG2 ARG 107 HG2 ARG 107 7.096 3.383 10.239 815 HG3 ARG 107 HG1 ARG 107 6.598 1.912 9.404 816 HD2 ARG 107 HD2 ARG 107 7.566 2.143 12.256 817 HD3 ARG 107 HD1 ARG 107 5.935 1.762 11.717 818 HE ARG 107 HE ARG 107 8.080 -0.055 10.920 819 HH11 ARG 107 HH11 ARG 107 5.302 0.576 12.959 820 HH12 ARG 107 HH12 ARG 107 5.161 -1.073 13.483 821 HH21 ARG 107 HH21 ARG 107 7.883 -2.222 11.595 822 HH22 ARG 107 HH22 ARG 107 6.621 -2.663 12.702 823 H GLY 108 HN GLY 108 11.851 3.995 9.978 824 HA2 GLY 108 HA2 GLY 108 14.065 3.489 9.547 825 HA3 GLY 108 HA1 GLY 108 13.781 1.917 10.283 826 H VAL 109 HN VAL 109 12.330 3.464 7.473 827 HA VAL 109 HA VAL 109 13.248 1.206 5.815 828 HB VAL 109 HB VAL 109 10.611 2.689 5.611 829 HG11 VAL 109 HG11 VAL 109 10.048 1.116 3.829 830 HG12 VAL 109 HG12 VAL 109 11.667 0.427 3.923 831 HG13 VAL 109 HG13 VAL 109 11.448 2.098 3.404 832 HG21 VAL 109 HG21 VAL 109 10.648 1.090 7.457 833 HG22 VAL 109 HG22 VAL 109 11.172 -0.180 6.351 834 HG23 VAL 109 HG23 VAL 109 9.577 0.547 6.165 835 H ASP 110 HN ASP 110 14.182 1.776 3.849 836 HA ASP 110 HA ASP 110 14.145 4.656 3.222 837 HB2 ASP 110 HB2 ASP 110 16.329 3.986 4.223 838 HB3 ASP 110 HB1 ASP 110 16.553 2.851 2.887 839 H PHE 111 HN PHE 111 13.109 4.933 1.385 840 HA PHE 111 HA PHE 111 12.866 2.749 -0.494 841 HB2 PHE 111 HB2 PHE 111 11.645 5.501 -0.385 842 HB3 PHE 111 HB1 PHE 111 11.351 4.374 -1.703 843 HD1 PHE 111 HD2 PHE 111 10.782 5.066 1.845 844 HD2 PHE 111 HD1 PHE 111 9.973 2.428 -1.388 845 HE1 PHE 111 HE2 PHE 111 8.970 4.037 3.144 846 HE2 PHE 111 HE1 PHE 111 8.158 1.390 -0.097 847 HZ PHE 111 HZ PHE 111 7.689 2.154 2.194 848 H GLY 112 HN GLY 112 15.160 5.070 -0.063 849 HA2 GLY 112 HA2 GLY 112 15.637 5.685 -2.848 850 HA3 GLY 112 HA1 GLY 112 16.684 6.089 -1.494 851 H SER 113 HN SER 113 17.505 3.928 -0.379 852 HA SER 113 HA SER 113 18.986 2.530 -2.442 853 HB2 SER 113 HB2 SER 113 20.043 3.349 -0.304 854 HB3 SER 113 HB1 SER 113 19.114 2.121 0.555 855 HG SER 113 HG SER 113 20.174 0.538 -0.711 856 H ARG 114 HN ARG 114 16.087 2.156 -0.866 857 HA ARG 114 HA ARG 114 14.459 0.600 -0.993 858 HB2 ARG 114 HB2 ARG 114 16.348 -0.771 -2.907 859 HB3 ARG 114 HB1 ARG 114 14.660 -1.211 -2.655 860 HG2 ARG 114 HG2 ARG 114 13.924 0.909 -3.518 861 HG3 ARG 114 HG1 ARG 114 15.590 1.483 -3.632 862 HD2 ARG 114 HD2 ARG 114 14.353 -0.790 -5.178 863 HD3 ARG 114 HD1 ARG 114 14.804 0.791 -5.812 864 HE ARG 114 HE ARG 114 17.149 0.013 -4.942 865 HH11 ARG 114 HH11 ARG 114 14.743 -1.839 -6.678 866 HH12 ARG 114 HH12 ARG 114 15.895 -2.970 -7.321 867 HH21 ARG 114 HH21 ARG 114 18.670 -1.454 -5.797 868 HH22 ARG 114 HH22 ARG 114 18.133 -2.750 -6.818 869 H THR 115 HN THR 115 15.987 0.475 1.201 870 HA THR 115 HA THR 115 16.073 -2.405 1.757 871 HB THR 115 HB THR 115 18.014 -1.900 3.325 872 HG1 THR 115 HG1 THR 115 17.561 0.531 2.773 873 HG21 THR 115 HG21 THR 115 18.287 -3.109 1.196 874 HG22 THR 115 HG22 THR 115 19.687 -2.108 1.570 875 HG23 THR 115 HG23 THR 115 18.518 -1.569 0.366 876 H GLN 116 HN GLN 116 16.033 -2.821 4.178 877 HA GLN 116 HA GLN 116 14.698 -0.719 5.690 878 HB2 GLN 116 HB2 GLN 116 12.786 -2.111 6.254 879 HB3 GLN 116 HB1 GLN 116 12.891 -1.931 4.509 880 HG2 GLN 116 HG2 GLN 116 13.991 -4.159 4.408 881 HG3 GLN 116 HG1 GLN 116 13.687 -4.332 6.136 882 HE21 GLN 116 HE21 GLN 116 12.337 -6.089 5.912 883 HE22 GLN 116 HE22 GLN 116 10.760 -5.976 5.209 884 H ALA 117 HN ALA 117 14.538 -1.205 7.980 885 HA ALA 117 HA ALA 117 16.821 -2.793 8.847 886 HB1 ALA 117 HB1 ALA 117 15.050 -0.920 10.407 887 HB2 ALA 117 HB2 ALA 117 16.589 -0.499 9.658 888 HB3 ALA 117 HB3 ALA 117 16.542 -1.661 10.983 889 H ASP 118 HN ASP 118 14.050 -3.851 8.041 890 HA ASP 118 HA ASP 118 13.721 -5.588 10.395 891 HB2 ASP 118 HB2 ASP 118 11.576 -4.230 8.773 892 HB3 ASP 118 HB1 ASP 118 11.243 -5.721 9.654 893 H ALA 119 HN ALA 119 12.978 -7.740 9.920 894 HA ALA 119 HA ALA 119 13.805 -8.772 7.392 895 HB1 ALA 119 HB1 ALA 119 12.181 -10.091 9.573 896 HB2 ALA 119 HB2 ALA 119 13.937 -10.127 9.431 897 HB3 ALA 119 HB3 ALA 119 12.940 -10.915 8.210 898 H LEU 120 HN LEU 120 10.622 -8.768 8.978 899 HA LEU 120 HA LEU 120 9.400 -8.182 6.365 900 HB2 LEU 120 HB2 LEU 120 8.980 -10.505 7.191 901 HB3 LEU 120 HB1 LEU 120 8.229 -9.827 8.617 902 HG LEU 120 HG LEU 120 6.533 -8.749 7.110 903 HD11 LEU 120 HD11 LEU 120 7.852 -10.513 5.064 904 HD12 LEU 120 HD12 LEU 120 7.755 -8.752 5.044 905 HD13 LEU 120 HD13 LEU 120 6.292 -9.717 4.862 906 HD21 LEU 120 HD21 LEU 120 6.740 -11.752 7.074 907 HD22 LEU 120 HD22 LEU 120 5.280 -10.824 6.742 908 HD23 LEU 120 HD23 LEU 120 6.016 -10.765 8.343 909 H VAL 121 HN VAL 121 8.218 -6.318 6.336 910 HA VAL 121 HA VAL 121 7.279 -5.315 8.937 911 HB VAL 121 HB VAL 121 9.053 -3.865 8.214 912 HG11 VAL 121 HG11 VAL 121 9.023 -4.387 5.824 913 HG12 VAL 121 HG12 VAL 121 9.034 -2.649 6.118 914 HG13 VAL 121 HG13 VAL 121 7.538 -3.454 5.645 915 HG21 VAL 121 HG21 VAL 121 7.187 -2.783 9.309 916 HG22 VAL 121 HG22 VAL 121 6.362 -2.582 7.764 917 HG23 VAL 121 HG23 VAL 121 7.865 -1.715 8.080 918 H LEU 122 HN LEU 122 5.219 -5.795 9.009 919 HA LEU 122 HA LEU 122 3.532 -5.189 6.676 920 HB2 LEU 122 HB2 LEU 122 2.778 -6.852 9.079 921 HB3 LEU 122 HB1 LEU 122 1.926 -6.739 7.554 922 HG LEU 122 HG LEU 122 4.610 -8.061 7.989 923 HD11 LEU 122 HD11 LEU 122 2.789 -9.351 8.926 924 HD12 LEU 122 HD12 LEU 122 3.390 -10.125 7.460 925 HD13 LEU 122 HD13 LEU 122 1.884 -9.212 7.419 926 HD21 LEU 122 HD21 LEU 122 4.463 -7.052 5.773 927 HD22 LEU 122 HD22 LEU 122 2.930 -7.880 5.494 928 HD23 LEU 122 HD23 LEU 122 4.415 -8.811 5.683 929 H LEU 123 HN LEU 123 2.592 -3.247 6.847 930 HA LEU 123 HA LEU 123 2.193 -2.094 9.498 931 HB2 LEU 123 HB2 LEU 123 1.815 -0.860 6.766 932 HB3 LEU 123 HB1 LEU 123 1.682 -0.011 8.294 933 HG LEU 123 HG LEU 123 4.191 -1.229 7.148 934 HD11 LEU 123 HD11 LEU 123 3.362 1.641 7.558 935 HD12 LEU 123 HD12 LEU 123 3.485 0.807 6.009 936 HD13 LEU 123 HD13 LEU 123 4.934 1.095 6.974 937 HD21 LEU 123 HD21 LEU 123 4.218 -1.405 9.565 938 HD22 LEU 123 HD22 LEU 123 3.757 0.291 9.717 939 HD23 LEU 123 HD23 LEU 123 5.327 -0.142 9.037 940 H GLY 124 HN GLY 124 0.348 -2.456 10.486 941 HA2 GLY 124 HA2 GLY 124 -2.098 -2.712 8.855 942 HA3 GLY 124 HA1 GLY 124 -1.838 -3.561 10.372 943 H GLY 125 HN GLY 125 -4.118 -2.071 9.966 944 HA2 GLY 125 HA2 GLY 125 -5.386 -0.653 11.262 945 HA3 GLY 125 HA1 GLY 125 -3.948 -0.293 12.206 946 H LEU 126 HN LEU 126 -3.715 0.144 8.802 947 HA LEU 126 HA LEU 126 -3.341 2.960 9.142 948 HB2 LEU 126 HB2 LEU 126 -3.194 1.093 6.818 949 HB3 LEU 126 HB1 LEU 126 -3.324 2.816 6.515 950 HG LEU 126 HG LEU 126 -1.261 3.163 7.872 951 HD11 LEU 126 HD11 LEU 126 -1.414 1.115 9.222 952 HD12 LEU 126 HD12 LEU 126 0.144 1.283 8.420 953 HD13 LEU 126 HD13 LEU 126 -1.055 0.159 7.783 954 HD21 LEU 126 HD21 LEU 126 0.269 2.332 6.160 955 HD22 LEU 126 HD22 LEU 126 -1.178 3.040 5.440 956 HD23 LEU 126 HD23 LEU 126 -1.002 1.287 5.526 957 H ASP 127 HN ASP 127 -4.510 4.624 8.241 958 HA ASP 127 HA ASP 127 -7.279 4.000 7.478 959 HB2 ASP 127 HB2 ASP 127 -6.364 6.216 9.345 960 HB3 ASP 127 HB1 ASP 127 -7.997 6.070 8.698 961 H PHE 128 HN PHE 128 -8.302 6.011 6.417 962 HA PHE 128 HA PHE 128 -6.316 7.042 4.530 963 HB2 PHE 128 HB2 PHE 128 -9.285 6.650 4.388 964 HB3 PHE 128 HB1 PHE 128 -8.497 7.800 3.309 965 HD1 PHE 128 HD2 PHE 128 -8.418 4.244 4.393 966 HD2 PHE 128 HD1 PHE 128 -7.452 7.066 1.355 967 HE1 PHE 128 HE2 PHE 128 -7.779 2.404 2.893 968 HE2 PHE 128 HE1 PHE 128 -6.804 5.230 -0.148 969 HZ PHE 128 HZ PHE 128 -6.967 2.895 0.618 970 H GLU 129 HN GLU 129 -6.340 8.085 7.091 971 HA GLU 129 HA GLU 129 -7.475 10.757 6.843 972 HB2 GLU 129 HB2 GLU 129 -7.659 9.667 9.026 973 HB3 GLU 129 HB1 GLU 129 -5.918 9.435 9.076 974 HG2 GLU 129 HG2 GLU 129 -5.627 11.886 9.077 975 HG3 GLU 129 HG1 GLU 129 -7.380 12.061 9.147 976 H ALA 130 HN ALA 130 -6.332 12.104 5.617 977 HA ALA 130 HA ALA 130 -3.560 11.735 5.075 978 HB1 ALA 130 HB1 ALA 130 -5.035 12.714 3.418 979 HB2 ALA 130 HB2 ALA 130 -3.737 13.836 3.826 980 HB3 ALA 130 HB3 ALA 130 -5.354 14.083 4.485
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