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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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654320 |
7cfv ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 4.092 -0.314 -5.937 2 H2 GLU 1 HT2 GLU 1 2.527 -0.972 -6.015 3 H3 GLU 1 HT3 GLU 1 2.742 0.695 -5.756 4 HA GLU 1 HA GLU 1 3.414 1.092 -7.929 5 HB2 GLU 1 HB2 GLU 1 4.996 -0.890 -7.915 6 HB3 GLU 1 HB3 GLU 1 3.618 -1.906 -8.339 7 HG2 GLU 1 HG2 GLU 1 3.235 -0.565 -10.367 8 HG3 GLU 1 HG3 GLU 1 4.599 0.470 -9.948 9 H ALA 2 H ALA 2 1.558 -1.897 -7.330 10 HA ALA 2 HA ALA 2 -0.780 -0.669 -8.626 11 HB1 ALA 2 HB1 ALA 2 -1.137 -2.408 -10.108 12 HB2 ALA 2 HB2 ALA 2 -0.216 -3.557 -9.140 13 HB3 ALA 2 HB3 ALA 2 0.626 -2.345 -10.101 14 H LEU 3 H LEU 3 -2.716 -1.155 -7.756 15 HA LEU 3 HA LEU 3 -2.723 -3.004 -5.444 16 HB2 LEU 3 HB2 LEU 3 -4.024 -0.299 -5.839 17 HB3 LEU 3 HB3 LEU 3 -4.635 -1.442 -4.651 18 HG LEU 3 HG LEU 3 -3.105 0.147 -3.561 19 HD11 LEU 3 HD11 LEU 3 -1.757 -1.354 -2.351 20 HD12 LEU 3 HD12 LEU 3 -1.601 -2.440 -3.731 21 HD13 LEU 3 HD13 LEU 3 -3.143 -2.305 -2.892 22 HD21 LEU 3 HD21 LEU 3 -0.961 0.678 -4.283 23 HD22 LEU 3 HD22 LEU 3 -1.719 0.363 -5.839 24 HD23 LEU 3 HD23 LEU 3 -0.713 -0.870 -5.084 25 H THR 4 H THR 4 -4.508 -4.367 -5.215 26 HA THR 4 HA THR 4 -5.861 -5.069 -7.629 27 HB THR 4 HB THR 4 -7.133 -6.653 -6.246 28 HG1 THR 4 HG1 THR 4 -5.874 -5.263 -4.127 29 HG21 THR 4 HG21 THR 4 -5.314 -8.020 -5.610 30 HG22 THR 4 HG22 THR 4 -4.300 -6.633 -5.208 31 HG23 THR 4 HG23 THR 4 -4.658 -7.004 -6.894 32 H GLY 5 H GLY 5 -8.205 -5.103 -7.948 33 HA2 GLY 5 HA2 GLY 5 -9.336 -2.568 -7.833 34 HA3 GLY 5 HA3 GLY 5 -10.230 -4.045 -8.169 35 H ASP 6 H ASP 6 -9.840 -5.334 -5.654 36 HA ASP 6 HA ASP 6 -11.843 -3.934 -4.086 37 HB2 ASP 6 HB2 ASP 6 -11.828 -5.884 -2.631 38 HB3 ASP 6 HB3 ASP 6 -11.923 -6.380 -4.317 39 H ALA 7 H ALA 7 -8.550 -3.554 -4.256 40 HA ALA 7 HA ALA 7 -7.879 -3.287 -1.484 41 HB1 ALA 7 HB1 ALA 7 -5.778 -2.975 -2.238 42 HB2 ALA 7 HB2 ALA 7 -6.264 -1.726 -3.384 43 HB3 ALA 7 HB3 ALA 7 -6.423 -3.427 -3.811 44 H LEU 8 H LEU 8 -7.247 -1.216 -0.502 45 HA LEU 8 HA LEU 8 -8.811 1.076 -1.502 46 HB2 LEU 8 HB2 LEU 8 -9.432 1.634 0.831 47 HB3 LEU 8 HB3 LEU 8 -10.148 0.131 0.255 48 HG LEU 8 HG LEU 8 -7.510 0.015 1.740 49 HD11 LEU 8 HD11 LEU 8 -8.629 -0.091 3.887 50 HD12 LEU 8 HD12 LEU 8 -10.206 0.097 3.119 51 HD13 LEU 8 HD13 LEU 8 -9.052 1.431 3.103 52 HD21 LEU 8 HD21 LEU 8 -8.765 -2.153 2.575 53 HD22 LEU 8 HD22 LEU 8 -8.155 -2.120 0.929 54 HD23 LEU 8 HD23 LEU 8 -9.864 -1.826 1.236 55 H ILE 9 H ILE 9 -7.956 3.080 -1.209 56 HA ILE 9 HA ILE 9 -5.250 3.230 -0.074 57 HB ILE 9 HB ILE 9 -6.216 4.594 -2.614 58 HG12 ILE 9 HG12 ILE 9 -4.119 2.397 -2.308 59 HG13 ILE 9 HG13 ILE 9 -5.794 2.067 -2.742 60 HG21 ILE 9 HG21 ILE 9 -4.518 5.881 -1.273 61 HG22 ILE 9 HG22 ILE 9 -3.871 5.345 -2.823 62 HG23 ILE 9 HG23 ILE 9 -3.440 4.485 -1.345 63 HD11 ILE 9 HD11 ILE 9 -4.159 4.055 -4.324 64 HD12 ILE 9 HD12 ILE 9 -5.607 3.175 -4.817 65 HD13 ILE 9 HD13 ILE 9 -4.069 2.327 -4.670 66 H LEU 10 H LEU 10 -4.694 5.053 1.031 67 HA LEU 10 HA LEU 10 -6.772 6.573 2.239 68 HB2 LEU 10 HB2 LEU 10 -3.769 6.828 2.238 69 HB3 LEU 10 HB3 LEU 10 -4.812 7.943 3.116 70 HG LEU 10 HG LEU 10 -4.936 4.938 3.480 71 HD11 LEU 10 HD11 LEU 10 -3.556 6.888 5.340 72 HD12 LEU 10 HD12 LEU 10 -2.677 6.039 4.069 73 HD13 LEU 10 HD13 LEU 10 -3.475 5.128 5.350 74 HD21 LEU 10 HD21 LEU 10 -5.853 6.024 5.813 75 HD22 LEU 10 HD22 LEU 10 -6.911 5.725 4.442 76 HD23 LEU 10 HD23 LEU 10 -6.277 7.340 4.725 77 H SER 11 H SER 11 -7.493 8.586 1.855 78 HA SER 11 HA SER 11 -6.218 10.226 -0.187 79 HB2 SER 11 HB2 SER 11 -8.409 10.704 -1.200 80 HB3 SER 11 HB3 SER 11 -7.964 9.011 -1.364 81 HG SER 11 HG SER 11 -9.708 10.193 0.554 82 H ASP 12 H ASP 12 -7.826 12.383 -0.204 83 HA ASP 12 HA ASP 12 -7.200 13.692 2.170 84 HB2 ASP 12 HB2 ASP 12 -7.642 14.870 0.069 85 HB3 ASP 12 HB3 ASP 12 -9.338 14.417 0.141 86 H ARG 13 H ARG 13 -10.243 12.114 1.172 87 HA ARG 13 HA ARG 13 -11.664 12.843 3.573 88 HB2 ARG 13 HB2 ARG 13 -12.736 12.207 1.363 89 HB3 ARG 13 HB3 ARG 13 -12.340 10.531 1.762 90 HG2 ARG 13 HG2 ARG 13 -13.544 11.225 4.101 91 HG3 ARG 13 HG3 ARG 13 -14.343 12.378 3.035 92 HD2 ARG 13 HD2 ARG 13 -15.707 10.407 3.115 93 HD3 ARG 13 HD3 ARG 13 -14.933 10.432 1.533 94 HE ARG 13 HE ARG 13 -13.700 8.537 2.148 95 HH11 ARG 13 HH11 ARG 13 -15.238 9.887 5.005 96 HH12 ARG 13 HH12 ARG 13 -14.836 8.535 6.009 97 HH21 ARG 13 HH21 ARG 13 -13.210 6.784 3.491 98 HH22 ARG 13 HH22 ARG 13 -13.695 6.790 5.154 99 H GLY 14 H GLY 14 -9.717 10.040 2.570 100 HA2 GLY 14 HA2 GLY 14 -8.653 9.032 4.738 101 HA3 GLY 14 HA3 GLY 14 -10.329 8.655 5.110 102 H TRP 15 H TRP 15 -10.001 6.390 5.095 103 HA TRP 15 HA TRP 15 -8.749 4.960 2.943 104 HB2 TRP 15 HB2 TRP 15 -10.429 4.165 5.312 105 HB3 TRP 15 HB3 TRP 15 -10.059 2.983 4.068 106 HD1 TRP 15 HD1 TRP 15 -7.462 2.382 3.688 107 HE1 TRP 15 HE1 TRP 15 -5.474 2.434 5.324 108 HE3 TRP 15 HE3 TRP 15 -9.397 5.387 7.339 109 HZ2 TRP 15 HZ2 TRP 15 -4.792 3.585 7.840 110 HZ3 TRP 15 HZ3 TRP 15 -8.050 5.940 9.350 111 HH2 TRP 15 HH2 TRP 15 -5.748 5.039 9.601 112 H LEU 16 H LEU 16 -9.551 4.652 0.955 113 HA LEU 16 HA LEU 16 -12.373 3.896 0.674 114 HB2 LEU 16 HB2 LEU 16 -11.095 6.190 -0.785 115 HB3 LEU 16 HB3 LEU 16 -12.553 5.373 -1.355 116 HG LEU 16 HG LEU 16 -12.324 6.546 1.425 117 HD11 LEU 16 HD11 LEU 16 -12.177 8.507 0.213 118 HD12 LEU 16 HD12 LEU 16 -13.925 8.340 0.239 119 HD13 LEU 16 HD13 LEU 16 -13.019 7.868 -1.195 120 HD21 LEU 16 HD21 LEU 16 -14.602 5.538 -0.317 121 HD22 LEU 16 HD22 LEU 16 -14.880 6.513 1.126 122 HD23 LEU 16 HD23 LEU 16 -14.108 4.934 1.265 123 H ARG 17 H ARG 17 -12.877 2.926 -1.468 124 HA ARG 17 HA ARG 17 -11.022 0.939 -2.235 125 HB2 ARG 17 HB2 ARG 17 -13.600 1.971 -3.348 126 HB3 ARG 17 HB3 ARG 17 -12.618 0.961 -4.400 127 HG2 ARG 17 HG2 ARG 17 -13.155 0.032 -1.569 128 HG3 ARG 17 HG3 ARG 17 -14.434 -0.120 -2.769 129 HD2 ARG 17 HD2 ARG 17 -13.096 -1.518 -4.170 130 HD3 ARG 17 HD3 ARG 17 -11.633 -1.141 -3.269 131 HE ARG 17 HE ARG 17 -12.208 -2.796 -1.759 132 HH11 ARG 17 HH11 ARG 17 -15.082 -1.937 -3.590 133 HH12 ARG 17 HH12 ARG 17 -16.049 -3.190 -2.886 134 HH21 ARG 17 HH21 ARG 17 -13.514 -4.394 -0.843 135 HH22 ARG 17 HH22 ARG 17 -15.164 -4.571 -1.338 136 H ILE 18 H ILE 18 -9.650 0.701 -3.945 137 HA ILE 18 HA ILE 18 -7.980 2.716 -4.705 138 HB ILE 18 HB ILE 18 -7.370 1.304 -6.736 139 HG12 ILE 18 HG12 ILE 18 -8.390 -1.078 -6.591 140 HG13 ILE 18 HG13 ILE 18 -9.672 -0.363 -5.629 141 HG21 ILE 18 HG21 ILE 18 -6.630 -0.649 -5.241 142 HG22 ILE 18 HG22 ILE 18 -7.448 0.205 -3.932 143 HG23 ILE 18 HG23 ILE 18 -6.105 0.967 -4.778 144 HD11 ILE 18 HD11 ILE 18 -9.718 -0.570 -8.351 145 HD12 ILE 18 HD12 ILE 18 -9.105 1.070 -8.179 146 HD13 ILE 18 HD13 ILE 18 -10.643 0.612 -7.444 147 H ASP 19 H ASP 19 -11.127 2.243 -6.046 148 HA ASP 19 HA ASP 19 -10.531 4.202 -8.186 149 HB2 ASP 19 HB2 ASP 19 -11.131 2.047 -9.091 150 HB3 ASP 19 HB3 ASP 19 -12.613 1.995 -8.141 151 H ASP 20 H ASP 20 -11.095 5.035 -5.567 152 HA ASP 20 HA ASP 20 -13.868 5.941 -5.492 153 HB2 ASP 20 HB2 ASP 20 -13.276 6.881 -3.318 154 HB3 ASP 20 HB3 ASP 20 -12.813 5.182 -3.429 155 HA PRO 21 HA PRO 21 -13.356 10.070 -7.179 156 HB2 PRO 21 HB2 PRO 21 -14.677 11.133 -4.727 157 HB3 PRO 21 HB3 PRO 21 -15.105 11.364 -6.437 158 HG2 PRO 21 HG2 PRO 21 -16.557 9.776 -4.959 159 HG3 PRO 21 HG3 PRO 21 -16.098 9.267 -6.598 160 HD2 PRO 21 HD2 PRO 21 -14.895 8.418 -3.974 161 HD3 PRO 21 HD3 PRO 21 -15.342 7.417 -5.382 162 H THR 22 H THR 22 -12.669 9.855 -3.669 163 HA THR 22 HA THR 22 -11.124 12.236 -3.528 164 HB THR 22 HB THR 22 -10.379 11.343 -1.295 165 HG1 THR 22 HG1 THR 22 -11.915 9.173 -2.208 166 HG21 THR 22 HG21 THR 22 -13.282 11.491 -2.108 167 HG22 THR 22 HG22 THR 22 -12.317 12.664 -1.212 168 HG23 THR 22 HG23 THR 22 -12.815 11.160 -0.442 169 H LEU 23 H LEU 23 -10.170 8.856 -4.046 170 HA LEU 23 HA LEU 23 -7.393 9.380 -3.878 171 HB2 LEU 23 HB2 LEU 23 -8.295 7.072 -3.738 172 HB3 LEU 23 HB3 LEU 23 -8.836 7.182 -5.409 173 HG LEU 23 HG LEU 23 -6.413 7.589 -6.060 174 HD11 LEU 23 HD11 LEU 23 -5.791 6.506 -3.315 175 HD12 LEU 23 HD12 LEU 23 -5.757 8.216 -3.691 176 HD13 LEU 23 HD13 LEU 23 -4.656 7.119 -4.515 177 HD21 LEU 23 HD21 LEU 23 -5.765 5.113 -5.595 178 HD22 LEU 23 HD22 LEU 23 -7.215 5.443 -6.530 179 HD23 LEU 23 HD23 LEU 23 -7.353 4.997 -4.829 180 H GLN 24 H GLN 24 -9.720 9.390 -6.528 181 HA GLN 24 HA GLN 24 -7.677 9.946 -8.501 182 HB2 GLN 24 HB2 GLN 24 -10.672 9.642 -8.802 183 HB3 GLN 24 HB3 GLN 24 -9.517 9.759 -10.130 184 HG2 GLN 24 HG2 GLN 24 -8.337 7.717 -9.237 185 HG3 GLN 24 HG3 GLN 24 -9.572 7.597 -7.995 186 HE21 GLN 24 HE21 GLN 24 -9.497 5.379 -9.344 187 HE22 GLN 24 HE22 GLN 24 -10.665 5.248 -10.560 188 H GLU 25 H GLU 25 -9.581 11.966 -6.498 189 HA GLU 25 HA GLU 25 -9.037 14.253 -8.300 190 HB2 GLU 25 HB2 GLU 25 -11.639 13.701 -6.876 191 HB3 GLU 25 HB3 GLU 25 -11.214 15.276 -7.538 192 HG2 GLU 25 HG2 GLU 25 -10.936 14.289 -9.771 193 HG3 GLU 25 HG3 GLU 25 -11.317 12.695 -9.129 194 H CYS 26 H CYS 26 -8.652 13.000 -5.184 195 HA CYS 26 HA CYS 26 -8.049 15.679 -4.114 196 HB2 CYS 26 HB2 CYS 26 -9.294 13.364 -2.610 197 HB3 CYS 26 HB3 CYS 26 -8.705 14.839 -1.875 198 HG CYS 26 HG CYS 26 -10.508 16.159 -3.310 199 H ARG 27 H ARG 27 -6.507 15.695 -2.342 200 HA ARG 27 HA ARG 27 -4.089 14.431 -3.080 201 HB2 ARG 27 HB2 ARG 27 -4.789 15.799 -0.470 202 HB3 ARG 27 HB3 ARG 27 -3.165 15.401 -1.027 203 HG2 ARG 27 HG2 ARG 27 -3.350 16.914 -2.895 204 HG3 ARG 27 HG3 ARG 27 -5.065 17.179 -2.578 205 HD2 ARG 27 HD2 ARG 27 -2.819 17.918 -0.681 206 HD3 ARG 27 HD3 ARG 27 -3.660 19.048 -1.736 207 HE ARG 27 HE ARG 27 -5.595 17.704 -0.185 208 HH11 ARG 27 HH11 ARG 27 -2.956 19.972 0.309 209 HH12 ARG 27 HH12 ARG 27 -3.679 20.696 1.705 210 HH21 ARG 27 HH21 ARG 27 -6.510 18.693 1.631 211 HH22 ARG 27 HH22 ARG 27 -5.679 19.976 2.445 212 H VAL 28 H VAL 28 -2.759 13.025 -1.762 213 HA VAL 28 HA VAL 28 -4.295 11.188 -0.018 214 HB VAL 28 HB VAL 28 -3.065 9.272 -0.979 215 HG11 VAL 28 HG11 VAL 28 -4.765 11.026 -2.753 216 HG12 VAL 28 HG12 VAL 28 -5.210 9.548 -1.905 217 HG13 VAL 28 HG13 VAL 28 -4.172 9.469 -3.326 218 HG21 VAL 28 HG21 VAL 28 -1.993 11.414 -2.843 219 HG22 VAL 28 HG22 VAL 28 -1.934 9.692 -3.221 220 HG23 VAL 28 HG23 VAL 28 -1.056 10.316 -1.823 221 H LEU 29 H LEU 29 -3.002 9.902 1.462 222 HA LEU 29 HA LEU 29 -1.023 11.521 2.765 223 HB2 LEU 29 HB2 LEU 29 -2.111 8.766 3.365 224 HB3 LEU 29 HB3 LEU 29 -0.923 9.583 4.379 225 HG LEU 29 HG LEU 29 -3.603 10.814 3.655 226 HD11 LEU 29 HD11 LEU 29 -2.779 9.107 6.017 227 HD12 LEU 29 HD12 LEU 29 -4.140 8.860 4.923 228 HD13 LEU 29 HD13 LEU 29 -4.166 10.195 6.073 229 HD21 LEU 29 HD21 LEU 29 -3.010 12.131 5.809 230 HD22 LEU 29 HD22 LEU 29 -2.063 12.510 4.372 231 HD23 LEU 29 HD23 LEU 29 -1.386 11.468 5.622 232 H SER 30 H SER 30 1.112 11.406 2.737 233 HA SER 30 HA SER 30 2.493 9.034 1.671 234 HB2 SER 30 HB2 SER 30 3.101 11.828 0.704 235 HB3 SER 30 HB3 SER 30 3.838 10.326 0.164 236 HG SER 30 HG SER 30 1.244 11.333 -0.281 237 H TYR 31 H TYR 31 4.908 9.218 2.097 238 HA TYR 31 HA TYR 31 5.375 10.627 4.646 239 HB2 TYR 31 HB2 TYR 31 5.756 8.142 4.606 240 HB3 TYR 31 HB3 TYR 31 7.013 8.399 3.390 241 HD1 TYR 31 HD1 TYR 31 6.000 9.100 6.891 242 HD2 TYR 31 HD2 TYR 31 9.182 9.241 4.011 243 HE1 TYR 31 HE1 TYR 31 7.618 9.595 8.703 244 HE2 TYR 31 HE2 TYR 31 10.802 9.736 5.821 245 HH TYR 31 HH TYR 31 9.932 9.509 9.178 246 H ASN 32 H ASN 32 6.014 12.624 4.084 247 HA ASN 32 HA ASN 32 7.491 13.147 1.725 248 HB2 ASN 32 HB2 ASN 32 6.084 14.684 3.676 249 HB3 ASN 32 HB3 ASN 32 7.713 15.340 3.590 250 HD21 ASN 32 HD21 ASN 32 8.499 15.918 1.318 251 HD22 ASN 32 HD22 ASN 32 7.346 16.436 0.185 252 H GLU 33 H GLU 33 9.432 12.362 1.522 253 HA GLU 33 HA GLU 33 11.345 11.911 3.560 254 HB2 GLU 33 HB2 GLU 33 11.655 12.361 0.582 255 HB3 GLU 33 HB3 GLU 33 12.994 11.911 1.638 256 HG2 GLU 33 HG2 GLU 33 11.909 9.838 2.249 257 HG3 GLU 33 HG3 GLU 33 10.431 10.306 1.415 258 H SER 34 H SER 34 10.655 14.672 1.508 259 HA SER 34 HA SER 34 12.913 16.254 1.959 260 HB2 SER 34 HB2 SER 34 11.263 16.684 0.187 261 HB3 SER 34 HB3 SER 34 10.073 17.104 1.412 262 HG SER 34 HG SER 34 12.342 18.493 0.550 263 H THR 35 H THR 35 9.786 16.216 3.708 264 HA THR 35 HA THR 35 10.914 18.069 5.709 265 HB THR 35 HB THR 35 8.589 18.387 6.468 266 HG1 THR 35 HG1 THR 35 6.944 17.374 5.391 267 HG21 THR 35 HG21 THR 35 8.744 18.673 3.464 268 HG22 THR 35 HG22 THR 35 9.637 19.717 4.570 269 HG23 THR 35 HG23 THR 35 7.875 19.698 4.605 270 H GLN 36 H GLN 36 10.539 14.771 5.344 271 HA GLN 36 HA GLN 36 10.633 12.979 6.726 272 HB2 GLN 36 HB2 GLN 36 11.723 15.054 8.651 273 HB3 GLN 36 HB3 GLN 36 11.792 13.312 8.911 274 HG2 GLN 36 HG2 GLN 36 13.071 13.052 6.810 275 HG3 GLN 36 HG3 GLN 36 13.025 14.798 6.574 276 HE21 GLN 36 HE21 GLN 36 15.057 15.614 7.084 277 HE22 GLN 36 HE22 GLN 36 15.975 15.158 8.437 278 H GLN 37 H GLN 37 8.127 14.284 6.525 279 HA GLN 37 HA GLN 37 6.838 13.214 8.882 280 HB2 GLN 37 HB2 GLN 37 5.548 15.259 9.401 281 HB3 GLN 37 HB3 GLN 37 7.274 15.489 9.663 282 HG2 GLN 37 HG2 GLN 37 7.465 16.600 7.464 283 HG3 GLN 37 HG3 GLN 37 5.737 16.366 7.196 284 HE21 GLN 37 HE21 GLN 37 7.951 18.649 8.271 285 HE22 GLN 37 HE22 GLN 37 6.911 19.594 9.222 286 H TRP 38 H TRP 38 4.424 13.244 8.673 287 HA TRP 38 HA TRP 38 3.680 12.310 6.070 288 HB2 TRP 38 HB2 TRP 38 2.102 12.835 8.592 289 HB3 TRP 38 HB3 TRP 38 1.361 12.220 7.116 290 HD1 TRP 38 HD1 TRP 38 3.234 11.135 10.136 291 HE1 TRP 38 HE1 TRP 38 3.799 8.623 9.974 292 HE3 TRP 38 HE3 TRP 38 2.096 10.286 5.237 293 HZ2 TRP 38 HZ2 TRP 38 3.777 6.537 8.026 294 HZ3 TRP 38 HZ3 TRP 38 2.380 8.031 4.249 295 HH2 TRP 38 HH2 TRP 38 3.219 6.154 5.635 296 H GLU 39 H GLU 39 2.736 13.339 4.426 297 HA GLU 39 HA GLU 39 1.319 15.853 4.850 298 HB2 GLU 39 HB2 GLU 39 3.683 15.651 2.967 299 HB3 GLU 39 HB3 GLU 39 2.573 17.017 3.057 300 HG2 GLU 39 HG2 GLU 39 3.178 17.312 5.458 301 HG3 GLU 39 HG3 GLU 39 4.350 16.007 5.299 302 H TRP 40 H TRP 40 0.025 16.514 3.032 303 HA TRP 40 HA TRP 40 -0.896 14.221 1.461 304 HB2 TRP 40 HB2 TRP 40 -2.117 16.786 2.383 305 HB3 TRP 40 HB3 TRP 40 -2.638 16.229 0.803 306 HD1 TRP 40 HD1 TRP 40 -3.396 13.493 0.802 307 HE1 TRP 40 HE1 TRP 40 -4.904 12.304 2.519 308 HE3 TRP 40 HE3 TRP 40 -2.966 16.720 4.745 309 HZ2 TRP 40 HZ2 TRP 40 -5.810 12.664 5.193 310 HZ3 TRP 40 HZ3 TRP 40 -4.169 16.269 6.868 311 HH2 TRP 40 HH2 TRP 40 -5.590 14.247 7.097 312 H GLN 41 H GLN 41 -0.559 13.962 -0.623 313 HA GLN 41 HA GLN 41 0.604 16.189 -2.196 314 HB2 GLN 41 HB2 GLN 41 1.309 13.283 -2.010 315 HB3 GLN 41 HB3 GLN 41 1.442 14.050 -3.589 316 HG2 GLN 41 HG2 GLN 41 3.593 14.189 -2.390 317 HG3 GLN 41 HG3 GLN 41 2.914 15.798 -2.617 318 HE21 GLN 41 HE21 GLN 41 2.167 13.284 -0.128 319 HE22 GLN 41 HE22 GLN 41 2.516 14.285 1.198 320 H GLN 42 H GLN 42 -0.036 16.346 -4.416 321 HA GLN 42 HA GLN 42 -2.800 15.688 -4.737 322 HB2 GLN 42 HB2 GLN 42 -1.487 17.811 -5.672 323 HB3 GLN 42 HB3 GLN 42 -1.144 16.720 -7.000 324 HG2 GLN 42 HG2 GLN 42 -3.162 17.977 -7.524 325 HG3 GLN 42 HG3 GLN 42 -3.505 16.258 -7.371 326 HE21 GLN 42 HE21 GLN 42 -5.021 15.622 -5.797 327 HE22 GLN 42 HE22 GLN 42 -5.767 16.698 -4.710 328 H VAL 43 H VAL 43 -3.736 14.220 -5.950 329 HA VAL 43 HA VAL 43 -2.144 12.011 -6.952 330 HB VAL 43 HB VAL 43 -4.321 10.921 -7.348 331 HG11 VAL 43 HG11 VAL 43 -3.560 10.587 -5.164 332 HG12 VAL 43 HG12 VAL 43 -5.212 11.152 -4.930 333 HG13 VAL 43 HG13 VAL 43 -3.861 12.257 -4.694 334 HG21 VAL 43 HG21 VAL 43 -5.381 13.686 -6.733 335 HG22 VAL 43 HG22 VAL 43 -6.391 12.259 -6.491 336 HG23 VAL 43 HG23 VAL 43 -5.754 12.636 -8.095 337 H LEU 44 H LEU 44 -1.159 12.371 -8.767 338 HA LEU 44 HA LEU 44 -1.711 14.277 -10.688 339 HB2 LEU 44 HB2 LEU 44 -0.250 11.694 -10.883 340 HB3 LEU 44 HB3 LEU 44 -0.248 12.892 -12.174 341 HG LEU 44 HG LEU 44 0.641 13.455 -9.326 342 HD11 LEU 44 HD11 LEU 44 2.179 12.749 -11.833 343 HD12 LEU 44 HD12 LEU 44 2.113 11.824 -10.335 344 HD13 LEU 44 HD13 LEU 44 2.937 13.391 -10.370 345 HD21 LEU 44 HD21 LEU 44 0.005 15.507 -10.443 346 HD22 LEU 44 HD22 LEU 44 0.784 15.004 -11.944 347 HD23 LEU 44 HD23 LEU 44 1.764 15.423 -10.539 348 H ARG 45 H ARG 45 -2.445 10.724 -10.987 349 HA ARG 45 HA ARG 45 -4.736 11.187 -12.649 350 HB2 ARG 45 HB2 ARG 45 -3.854 10.617 -14.835 351 HB3 ARG 45 HB3 ARG 45 -2.829 11.890 -14.165 352 HG2 ARG 45 HG2 ARG 45 -1.169 10.200 -13.454 353 HG3 ARG 45 HG3 ARG 45 -2.162 8.927 -14.166 354 HD2 ARG 45 HD2 ARG 45 -0.445 9.527 -15.750 355 HD3 ARG 45 HD3 ARG 45 -1.991 10.079 -16.370 356 HE ARG 45 HE ARG 45 0.114 11.798 -15.182 357 HH11 ARG 45 HH11 ARG 45 -2.886 11.555 -17.045 358 HH12 ARG 45 HH12 ARG 45 -2.837 13.212 -17.524 359 HH21 ARG 45 HH21 ARG 45 0.098 13.948 -15.849 360 HH22 ARG 45 HH22 ARG 45 -1.173 14.552 -16.856 361 H TRP 46 H TRP 46 -6.027 9.442 -12.592 362 HA TRP 46 HA TRP 46 -5.173 7.030 -11.286 363 HB2 TRP 46 HB2 TRP 46 -7.479 7.999 -11.114 364 HB3 TRP 46 HB3 TRP 46 -7.751 7.524 -12.788 365 HD1 TRP 46 HD1 TRP 46 -6.586 5.822 -9.501 366 HE1 TRP 46 HE1 TRP 46 -7.589 3.452 -9.424 367 HE3 TRP 46 HE3 TRP 46 -9.001 5.730 -14.009 368 HZ2 TRP 46 HZ2 TRP 46 -9.202 1.747 -11.046 369 HZ3 TRP 46 HZ3 TRP 46 -10.265 3.713 -14.711 370 HH2 TRP 46 HH2 TRP 46 -10.367 1.722 -13.227 371 H LEU 47 H LEU 47 -4.282 5.302 -12.161 372 HA LEU 47 HA LEU 47 -4.566 4.826 -15.065 373 HB2 LEU 47 HB2 LEU 47 -2.134 4.302 -13.337 374 HB3 LEU 47 HB3 LEU 47 -2.290 3.878 -15.040 375 HG LEU 47 HG LEU 47 -2.518 6.712 -13.964 376 HD11 LEU 47 HD11 LEU 47 -0.206 5.178 -15.171 377 HD12 LEU 47 HD12 LEU 47 -0.248 6.047 -13.637 378 HD13 LEU 47 HD13 LEU 47 -0.262 6.940 -15.158 379 HD21 LEU 47 HD21 LEU 47 -3.699 6.454 -16.053 380 HD22 LEU 47 HD22 LEU 47 -2.383 5.507 -16.742 381 HD23 LEU 47 HD23 LEU 47 -2.157 7.233 -16.432 382 H ASP 48 H ASP 48 -5.123 2.853 -15.732 383 HA ASP 48 HA ASP 48 -5.743 0.827 -13.702 384 HB2 ASP 48 HB2 ASP 48 -6.985 -0.297 -15.477 385 HB3 ASP 48 HB3 ASP 48 -7.467 1.391 -15.400 386 H GLN 49 H GLN 49 -5.113 -1.425 -14.139 387 HA GLN 49 HA GLN 49 -2.686 -1.721 -15.777 388 HB2 GLN 49 HB2 GLN 49 -2.925 -2.364 -12.847 389 HB3 GLN 49 HB3 GLN 49 -1.661 -3.056 -13.873 390 HG2 GLN 49 HG2 GLN 49 -0.850 -0.840 -14.444 391 HG3 GLN 49 HG3 GLN 49 -2.199 -0.087 -13.596 392 HE21 GLN 49 HE21 GLN 49 -2.010 0.215 -11.356 393 HE22 GLN 49 HE22 GLN 49 -0.665 -0.285 -10.458 394 H GLY 50 H GLY 50 -5.685 -2.936 -14.914 395 HA2 GLY 50 HA2 GLY 50 -6.844 -4.805 -15.516 396 HA3 GLY 50 HA3 GLY 50 -5.643 -4.980 -16.784 397 H VAL 51 H VAL 51 -5.059 -7.004 -16.825 398 HA VAL 51 HA VAL 51 -5.165 -8.791 -14.608 399 HB VAL 51 HB VAL 51 -3.927 -9.115 -17.365 400 HG11 VAL 51 HG11 VAL 51 -3.628 -11.357 -17.002 401 HG12 VAL 51 HG12 VAL 51 -4.959 -11.489 -15.862 402 HG13 VAL 51 HG13 VAL 51 -3.414 -10.829 -15.339 403 HG21 VAL 51 HG21 VAL 51 -6.059 -10.148 -17.998 404 HG22 VAL 51 HG22 VAL 51 -6.369 -8.536 -17.356 405 HG23 VAL 51 HG23 VAL 51 -6.673 -9.955 -16.355 406 H ARG 52 H ARG 52 -3.722 -8.926 -12.997 407 HA ARG 52 HA ARG 52 -0.896 -9.177 -13.551 408 HB2 ARG 52 HB2 ARG 52 -1.248 -6.689 -13.403 409 HB3 ARG 52 HB3 ARG 52 -1.736 -6.925 -11.723 410 HG2 ARG 52 HG2 ARG 52 0.466 -8.056 -11.302 411 HG3 ARG 52 HG3 ARG 52 0.954 -7.614 -12.938 412 HD2 ARG 52 HD2 ARG 52 0.089 -5.647 -10.800 413 HD3 ARG 52 HD3 ARG 52 1.761 -5.981 -11.238 414 HE ARG 52 HE ARG 52 -0.190 -4.457 -12.801 415 HH11 ARG 52 HH11 ARG 52 2.958 -6.025 -12.768 416 HH12 ARG 52 HH12 ARG 52 3.547 -5.137 -14.133 417 HH21 ARG 52 HH21 ARG 52 0.624 -3.322 -14.579 418 HH22 ARG 52 HH22 ARG 52 2.232 -3.618 -15.150 419 H GLU 53 H GLU 53 0.143 -10.395 -12.051 420 HA GLU 53 HA GLU 53 -1.324 -11.834 -10.054 421 HB2 GLU 53 HB2 GLU 53 0.647 -12.761 -11.276 422 HB3 GLU 53 HB3 GLU 53 1.681 -11.611 -10.430 423 HG2 GLU 53 HG2 GLU 53 1.015 -12.592 -8.261 424 HG3 GLU 53 HG3 GLU 53 -0.037 -13.726 -9.094 425 H THR 54 H THR 54 -1.266 -11.633 -7.745 426 HA THR 54 HA THR 54 0.217 -9.298 -6.701 427 HB THR 54 HB THR 54 -2.047 -8.486 -7.274 428 HG1 THR 54 HG1 THR 54 -2.153 -7.348 -5.486 429 HG21 THR 54 HG21 THR 54 -3.732 -9.403 -5.329 430 HG22 THR 54 HG22 THR 54 -2.875 -10.888 -5.744 431 HG23 THR 54 HG23 THR 54 -3.732 -9.980 -6.992 432 H TRP 55 H TRP 55 0.738 -9.259 -4.552 433 HA TRP 55 HA TRP 55 0.370 -11.762 -2.985 434 HB2 TRP 55 HB2 TRP 55 2.650 -9.768 -3.113 435 HB3 TRP 55 HB3 TRP 55 2.473 -10.901 -1.780 436 HD1 TRP 55 HD1 TRP 55 1.924 -11.662 -5.564 437 HE1 TRP 55 HE1 TRP 55 3.552 -13.543 -6.230 438 HE3 TRP 55 HE3 TRP 55 4.540 -12.183 -1.200 439 HZ2 TRP 55 HZ2 TRP 55 5.679 -15.056 -5.088 440 HZ3 TRP 55 HZ3 TRP 55 6.366 -13.852 -1.026 441 HH2 TRP 55 HH2 TRP 55 6.938 -15.288 -2.966 442 H LYS 56 H LYS 56 -0.570 -11.554 -0.985 443 HA LYS 56 HA LYS 56 -1.452 -8.871 -0.202 444 HB2 LYS 56 HB2 LYS 56 -3.228 -10.529 -0.558 445 HB3 LYS 56 HB3 LYS 56 -2.516 -11.568 0.673 446 HG2 LYS 56 HG2 LYS 56 -2.907 -9.832 2.396 447 HG3 LYS 56 HG3 LYS 56 -3.582 -8.756 1.164 448 HD2 LYS 56 HD2 LYS 56 -5.371 -10.396 0.709 449 HD3 LYS 56 HD3 LYS 56 -4.698 -11.470 1.936 450 HE2 LYS 56 HE2 LYS 56 -5.066 -9.749 3.659 451 HE3 LYS 56 HE3 LYS 56 -5.725 -8.660 2.440 452 HZ1 LYS 56 HZ1 LYS 56 -6.931 -11.306 2.566 453 HZ2 LYS 56 HZ2 LYS 56 -7.655 -9.785 2.344 454 HZ3 LYS 56 HZ3 LYS 56 -7.218 -10.302 3.902 455 H ILE 57 H ILE 57 0.099 -7.979 0.936 456 HA ILE 57 HA ILE 57 1.448 -9.275 3.138 457 HB ILE 57 HB ILE 57 1.345 -6.288 2.547 458 HG12 ILE 57 HG12 ILE 57 3.807 -7.061 1.570 459 HG13 ILE 57 HG13 ILE 57 2.889 -8.510 1.193 460 HG21 ILE 57 HG21 ILE 57 3.629 -6.455 3.705 461 HG22 ILE 57 HG22 ILE 57 3.132 -8.071 4.205 462 HG23 ILE 57 HG23 ILE 57 2.203 -6.665 4.722 463 HD11 ILE 57 HD11 ILE 57 2.343 -7.386 -0.709 464 HD12 ILE 57 HD12 ILE 57 2.762 -5.822 -0.020 465 HD13 ILE 57 HD13 ILE 57 1.177 -6.519 0.289 466 H LYS 58 H LYS 58 0.519 -9.620 4.998 467 HA LYS 58 HA LYS 58 -1.798 -8.006 5.826 468 HB2 LYS 58 HB2 LYS 58 -2.204 -10.415 5.519 469 HB3 LYS 58 HB3 LYS 58 -0.936 -10.789 6.667 470 HG2 LYS 58 HG2 LYS 58 -2.189 -9.594 8.453 471 HG3 LYS 58 HG3 LYS 58 -3.483 -9.248 7.310 472 HD2 LYS 58 HD2 LYS 58 -2.556 -12.060 8.002 473 HD3 LYS 58 HD3 LYS 58 -3.907 -11.252 8.795 474 HE2 LYS 58 HE2 LYS 58 -5.015 -10.983 6.572 475 HE3 LYS 58 HE3 LYS 58 -3.691 -11.876 5.827 476 HZ1 LYS 58 HZ1 LYS 58 -4.978 -13.154 8.101 477 HZ2 LYS 58 HZ2 LYS 58 -4.434 -13.822 6.635 478 HZ3 LYS 58 HZ3 LYS 58 -5.925 -13.013 6.702 479 H THR 59 H THR 59 -1.761 -6.840 7.646 480 HA THR 59 HA THR 59 0.453 -7.201 9.592 481 HB THR 59 HB THR 59 0.866 -4.851 9.789 482 HG1 THR 59 HG1 THR 59 -1.120 -4.318 7.854 483 HG21 THR 59 HG21 THR 59 1.862 -4.342 7.739 484 HG22 THR 59 HG22 THR 59 0.546 -5.063 6.808 485 HG23 THR 59 HG23 THR 59 1.711 -6.100 7.640 486 H PHE 60 H PHE 60 -0.036 -6.062 11.684 487 HA PHE 60 HA PHE 60 -2.562 -6.935 12.626 488 HB2 PHE 60 HB2 PHE 60 -0.326 -5.352 13.879 489 HB3 PHE 60 HB3 PHE 60 -1.848 -5.594 14.735 490 HD1 PHE 60 HD1 PHE 60 1.198 -7.200 13.478 491 HD2 PHE 60 HD2 PHE 60 -2.585 -7.858 15.388 492 HE1 PHE 60 HE1 PHE 60 1.936 -9.472 14.148 493 HE2 PHE 60 HE2 PHE 60 -1.852 -10.132 16.059 494 HZ PHE 60 HZ PHE 60 0.409 -10.938 15.438 495 H GLN 61 H GLN 61 -1.394 -3.800 11.529 496 HA GLN 61 HA GLN 61 -3.776 -2.423 12.507 497 HB2 GLN 61 HB2 GLN 61 -1.411 -1.431 10.905 498 HB3 GLN 61 HB3 GLN 61 -2.745 -0.411 11.438 499 HG2 GLN 61 HG2 GLN 61 -2.242 -1.076 13.798 500 HG3 GLN 61 HG3 GLN 61 -0.844 -1.971 13.202 501 HE21 GLN 61 HE21 GLN 61 0.917 -0.718 13.887 502 HE22 GLN 61 HE22 GLN 61 1.097 0.940 13.535 503 H THR 62 H THR 62 -2.517 -3.683 9.460 504 HA THR 62 HA THR 62 -5.124 -3.457 8.241 505 HB THR 62 HB THR 62 -4.259 -1.170 7.904 506 HG1 THR 62 HG1 THR 62 -5.594 -1.928 6.333 507 HG21 THR 62 HG21 THR 62 -2.115 -0.770 7.365 508 HG22 THR 62 HG22 THR 62 -2.304 -1.664 5.863 509 HG23 THR 62 HG23 THR 62 -1.773 -2.500 7.317 510 H GLU 63 H GLU 63 -4.785 -3.951 5.725 511 HA GLU 63 HA GLU 63 -2.671 -5.805 5.124 512 HB2 GLU 63 HB2 GLU 63 -4.147 -7.737 4.675 513 HB3 GLU 63 HB3 GLU 63 -4.186 -7.285 6.382 514 HG2 GLU 63 HG2 GLU 63 -6.290 -6.007 5.983 515 HG3 GLU 63 HG3 GLU 63 -6.261 -6.505 4.295 516 H ILE 64 H ILE 64 -2.508 -6.211 2.871 517 HA ILE 64 HA ILE 64 -4.561 -5.343 1.051 518 HB ILE 64 HB ILE 64 -3.681 -3.162 1.821 519 HG12 ILE 64 HG12 ILE 64 -2.880 -3.632 -1.069 520 HG13 ILE 64 HG13 ILE 64 -4.565 -3.630 -0.551 521 HG21 ILE 64 HG21 ILE 64 -1.352 -3.846 2.256 522 HG22 ILE 64 HG22 ILE 64 -1.404 -2.465 1.162 523 HG23 ILE 64 HG23 ILE 64 -1.092 -4.081 0.528 524 HD11 ILE 64 HD11 ILE 64 -4.126 -1.398 -1.257 525 HD12 ILE 64 HD12 ILE 64 -2.577 -1.363 -0.415 526 HD13 ILE 64 HD13 ILE 64 -4.078 -1.344 0.505 527 H LYS 65 H LYS 65 -4.051 -5.646 -1.216 528 HA LYS 65 HA LYS 65 -1.739 -7.416 -1.641 529 HB2 LYS 65 HB2 LYS 65 -3.212 -8.369 -3.573 530 HB3 LYS 65 HB3 LYS 65 -3.505 -8.913 -1.929 531 HG2 LYS 65 HG2 LYS 65 -5.038 -6.513 -2.920 532 HG3 LYS 65 HG3 LYS 65 -5.520 -8.098 -3.521 533 HD2 LYS 65 HD2 LYS 65 -5.681 -8.874 -1.124 534 HD3 LYS 65 HD3 LYS 65 -5.398 -7.209 -0.618 535 HE2 LYS 65 HE2 LYS 65 -7.390 -6.477 -1.860 536 HE3 LYS 65 HE3 LYS 65 -7.670 -8.132 -2.398 537 HZ1 LYS 65 HZ1 LYS 65 -7.639 -8.664 0.099 538 HZ2 LYS 65 HZ2 LYS 65 -9.027 -7.941 -0.563 539 HZ3 LYS 65 HZ3 LYS 65 -7.913 -7.004 0.313 540 H CYS 66 H CYS 66 -0.316 -6.869 -3.089 541 HA CYS 66 HA CYS 66 -0.999 -5.004 -5.253 542 HB2 CYS 66 HB2 CYS 66 0.927 -3.594 -4.776 543 HB3 CYS 66 HB3 CYS 66 -0.053 -3.716 -3.326 544 HG CYS 66 HG CYS 66 2.721 -5.053 -3.706 545 H THR 67 H THR 67 1.380 -4.735 -6.514 546 HA THR 67 HA THR 67 1.672 -6.988 -8.053 547 HB THR 67 HB THR 67 3.896 -5.023 -7.404 548 HG1 THR 67 HG1 THR 67 1.946 -4.970 -9.463 549 HG21 THR 67 HG21 THR 67 3.411 -6.604 -9.942 550 HG22 THR 67 HG22 THR 67 4.517 -7.134 -8.674 551 HG23 THR 67 HG23 THR 67 4.823 -5.628 -9.539 552 H GLY 68 H GLY 68 3.534 -6.197 -5.121 553 HA2 GLY 68 HA2 GLY 68 4.297 -7.764 -3.527 554 HA3 GLY 68 HA3 GLY 68 4.063 -9.041 -4.705 555 H ASN 69 H ASN 69 5.658 -6.985 -6.571 556 HA ASN 69 HA ASN 69 8.321 -7.992 -5.761 557 HB2 ASN 69 HB2 ASN 69 7.373 -7.094 -8.492 558 HB3 ASN 69 HB3 ASN 69 8.982 -7.712 -8.108 559 HD21 ASN 69 HD21 ASN 69 8.699 -9.964 -6.718 560 HD22 ASN 69 HD22 ASN 69 7.657 -11.075 -7.465 561 H HIS 70 H HIS 70 6.451 -5.126 -6.187 562 HA HIS 70 HA HIS 70 8.650 -3.307 -6.555 563 HB2 HIS 70 HB2 HIS 70 6.266 -2.892 -7.311 564 HB3 HIS 70 HB3 HIS 70 5.858 -2.628 -5.615 565 HD2 HIS 70 HD2 HIS 70 6.083 0.046 -4.986 566 HE1 HIS 70 HE1 HIS 70 9.082 1.088 -7.767 567 HE2 HIS 70 HE2 HIS 70 7.564 1.975 -5.939 568 H LEU 71 H LEU 71 9.574 -1.923 -5.046 569 HA LEU 71 HA LEU 71 9.763 -2.927 -2.359 570 HB2 LEU 71 HB2 LEU 71 10.916 -0.500 -3.737 571 HB3 LEU 71 HB3 LEU 71 11.168 -0.831 -2.024 572 HG LEU 71 HG LEU 71 11.979 -3.164 -2.768 573 HD11 LEU 71 HD11 LEU 71 13.002 -3.026 -5.145 574 HD12 LEU 71 HD12 LEU 71 11.864 -1.707 -5.411 575 HD13 LEU 71 HD13 LEU 71 11.270 -3.319 -5.016 576 HD21 LEU 71 HD21 LEU 71 14.245 -2.337 -3.165 577 HD22 LEU 71 HD22 LEU 71 13.462 -1.305 -1.969 578 HD23 LEU 71 HD23 LEU 71 13.619 -0.758 -3.639 579 H ILE 72 H ILE 72 8.925 -2.167 -0.520 580 HA ILE 72 HA ILE 72 7.178 0.206 -0.622 581 HB ILE 72 HB ILE 72 5.617 -0.909 0.939 582 HG12 ILE 72 HG12 ILE 72 7.130 -3.485 0.356 583 HG13 ILE 72 HG13 ILE 72 7.417 -2.533 1.813 584 HG21 ILE 72 HG21 ILE 72 4.496 -2.219 -0.704 585 HG22 ILE 72 HG22 ILE 72 6.009 -2.680 -1.482 586 HG23 ILE 72 HG23 ILE 72 5.416 -1.025 -1.620 587 HD11 ILE 72 HD11 ILE 72 5.129 -2.816 2.538 588 HD12 ILE 72 HD12 ILE 72 5.742 -4.413 2.112 589 HD13 ILE 72 HD13 ILE 72 4.676 -3.553 1.002 590 H ARG 73 H ARG 73 7.013 1.361 1.376 591 HA ARG 73 HA ARG 73 9.512 1.479 2.728 592 HB2 ARG 73 HB2 ARG 73 7.943 3.449 2.359 593 HB3 ARG 73 HB3 ARG 73 6.983 2.795 3.683 594 HG2 ARG 73 HG2 ARG 73 8.416 4.326 4.768 595 HG3 ARG 73 HG3 ARG 73 9.202 2.773 5.037 596 HD2 ARG 73 HD2 ARG 73 10.975 4.105 4.324 597 HD3 ARG 73 HD3 ARG 73 10.497 3.313 2.836 598 HE ARG 73 HE ARG 73 8.996 5.610 2.854 599 HH11 ARG 73 HH11 ARG 73 12.435 4.968 3.141 600 HH12 ARG 73 HH12 ARG 73 12.901 6.464 2.404 601 HH21 ARG 73 HH21 ARG 73 9.646 7.544 1.873 602 HH22 ARG 73 HH22 ARG 73 11.329 7.909 1.688 603 H THR 74 H THR 74 10.189 0.745 4.596 604 HA THR 74 HA THR 74 8.303 -0.535 6.450 605 HB THR 74 HB THR 74 9.940 -2.320 6.913 606 HG1 THR 74 HG1 THR 74 11.809 -1.221 6.314 607 HG21 THR 74 HG21 THR 74 8.176 -2.596 5.139 608 HG22 THR 74 HG22 THR 74 9.592 -3.623 4.926 609 HG23 THR 74 HG23 THR 74 9.399 -2.173 3.941 610 H ASP 75 H ASP 75 9.793 -1.036 8.569 611 HA ASP 75 HA ASP 75 10.341 1.463 9.715 612 HB2 ASP 75 HB2 ASP 75 9.834 -0.577 11.027 613 HB3 ASP 75 HB3 ASP 75 11.405 -1.240 10.579 614 H LYS 76 H LYS 76 12.462 -0.907 8.181 615 HA LYS 76 HA LYS 76 14.884 0.597 8.719 616 HB2 LYS 76 HB2 LYS 76 14.409 -1.818 6.951 617 HB3 LYS 76 HB3 LYS 76 15.985 -1.167 7.396 618 HG2 LYS 76 HG2 LYS 76 15.497 -1.581 9.781 619 HG3 LYS 76 HG3 LYS 76 13.915 -2.226 9.349 620 HD2 LYS 76 HD2 LYS 76 15.035 -3.992 7.992 621 HD3 LYS 76 HD3 LYS 76 16.596 -3.368 8.521 622 HE2 LYS 76 HE2 LYS 76 15.940 -5.266 9.924 623 HE3 LYS 76 HE3 LYS 76 15.948 -3.783 10.881 624 HZ1 LYS 76 HZ1 LYS 76 13.535 -4.964 9.616 625 HZ2 LYS 76 HZ2 LYS 76 13.583 -3.627 10.664 626 HZ3 LYS 76 HZ3 LYS 76 13.965 -5.178 11.241 627 H GLY 77 H GLY 77 12.436 0.666 6.277 628 HA2 GLY 77 HA2 GLY 77 12.673 2.749 4.828 629 HA3 GLY 77 HA3 GLY 77 14.225 2.062 4.359 630 H TRP 78 H TRP 78 13.348 2.181 2.138 631 HA TRP 78 HA TRP 78 11.091 0.661 1.269 632 HB2 TRP 78 HB2 TRP 78 13.545 1.547 -0.279 633 HB3 TRP 78 HB3 TRP 78 12.068 0.911 -0.995 634 HD1 TRP 78 HD1 TRP 78 13.654 4.065 -0.027 635 HE1 TRP 78 HE1 TRP 78 11.954 5.997 -0.027 636 HE3 TRP 78 HE3 TRP 78 9.295 1.411 -0.257 637 HZ2 TRP 78 HZ2 TRP 78 9.123 6.375 -0.102 638 HZ3 TRP 78 HZ3 TRP 78 7.108 2.587 -0.283 639 HH2 TRP 78 HH2 TRP 78 7.020 5.065 -0.206 640 H ILE 79 H ILE 79 10.854 -1.435 0.918 641 HA ILE 79 HA ILE 79 13.174 -3.173 0.440 642 HB ILE 79 HB ILE 79 11.088 -3.796 2.548 643 HG12 ILE 79 HG12 ILE 79 12.639 -2.002 3.309 644 HG13 ILE 79 HG13 ILE 79 12.867 -3.482 4.233 645 HG21 ILE 79 HG21 ILE 79 12.777 -5.657 3.109 646 HG22 ILE 79 HG22 ILE 79 13.490 -5.325 1.531 647 HG23 ILE 79 HG23 ILE 79 11.815 -5.863 1.644 648 HD11 ILE 79 HD11 ILE 79 14.630 -2.979 1.825 649 HD12 ILE 79 HD12 ILE 79 14.976 -3.893 3.285 650 HD13 ILE 79 HD13 ILE 79 14.968 -2.134 3.333 651 H LYS 80 H LYS 80 12.797 -4.903 -0.847 652 HA LYS 80 HA LYS 80 10.638 -4.890 -2.646 653 HB2 LYS 80 HB2 LYS 80 12.830 -6.036 -3.044 654 HB3 LYS 80 HB3 LYS 80 12.360 -7.276 -1.883 655 HG2 LYS 80 HG2 LYS 80 10.481 -7.949 -3.262 656 HG3 LYS 80 HG3 LYS 80 10.743 -6.600 -4.366 657 HD2 LYS 80 HD2 LYS 80 11.697 -8.523 -5.435 658 HD3 LYS 80 HD3 LYS 80 13.057 -7.585 -4.822 659 HE2 LYS 80 HE2 LYS 80 13.219 -9.050 -2.858 660 HE3 LYS 80 HE3 LYS 80 11.808 -9.958 -3.393 661 HZ1 LYS 80 HZ1 LYS 80 13.071 -10.447 -5.470 662 HZ2 LYS 80 HZ2 LYS 80 13.723 -11.152 -4.069 663 HZ3 LYS 80 HZ3 LYS 80 14.442 -9.767 -4.743 664 H ALA 81 H ALA 81 8.603 -5.673 -2.583 665 HA ALA 81 HA ALA 81 7.364 -6.346 -0.169 666 HB1 ALA 81 HB1 ALA 81 5.834 -5.576 -1.684 667 HB2 ALA 81 HB2 ALA 81 5.559 -7.306 -1.881 668 HB3 ALA 81 HB3 ALA 81 6.573 -6.433 -3.033 669 H ALA 82 H ALA 82 8.592 -8.440 -2.738 670 HA ALA 82 HA ALA 82 7.642 -10.912 -1.753 671 HB1 ALA 82 HB1 ALA 82 9.957 -11.634 -2.978 672 HB2 ALA 82 HB2 ALA 82 9.726 -10.029 -3.668 673 HB3 ALA 82 HB3 ALA 82 8.472 -11.254 -3.850 674 H ASN 83 H ASN 83 10.496 -8.994 -0.998 675 HA ASN 83 HA ASN 83 11.826 -10.943 0.608 676 HB2 ASN 83 HB2 ASN 83 12.872 -8.940 -0.544 677 HB3 ASN 83 HB3 ASN 83 12.197 -7.957 0.758 678 HD21 ASN 83 HD21 ASN 83 14.150 -7.435 1.852 679 HD22 ASN 83 HD22 ASN 83 15.160 -8.603 2.558 680 H ILE 84 H ILE 84 9.367 -8.515 1.277 681 HA ILE 84 HA ILE 84 9.699 -8.162 4.026 682 HB ILE 84 HB ILE 84 7.065 -8.287 2.522 683 HG12 ILE 84 HG12 ILE 84 8.586 -6.648 1.487 684 HG13 ILE 84 HG13 ILE 84 7.289 -5.812 2.316 685 HG21 ILE 84 HG21 ILE 84 7.707 -6.868 5.130 686 HG22 ILE 84 HG22 ILE 84 6.799 -8.373 4.992 687 HG23 ILE 84 HG23 ILE 84 6.149 -6.886 4.304 688 HD11 ILE 84 HD11 ILE 84 10.205 -6.010 3.082 689 HD12 ILE 84 HD12 ILE 84 8.996 -5.699 4.326 690 HD13 ILE 84 HD13 ILE 84 9.182 -4.577 2.980 691 H THR 85 H THR 85 9.228 -9.262 5.806 692 HA THR 85 HA THR 85 7.851 -11.868 5.594 693 HB THR 85 HB THR 85 9.417 -12.770 7.283 694 HG1 THR 85 HG1 THR 85 10.672 -10.257 6.926 695 HG21 THR 85 HG21 THR 85 11.373 -12.994 5.833 696 HG22 THR 85 HG22 THR 85 10.846 -11.606 4.882 697 HG23 THR 85 HG23 THR 85 9.894 -13.091 4.878 698 HA PRO 86 HA PRO 86 5.157 -10.723 8.919 699 HB2 PRO 86 HB2 PRO 86 6.464 -12.812 10.629 700 HB3 PRO 86 HB3 PRO 86 4.735 -12.465 10.401 701 HG2 PRO 86 HG2 PRO 86 5.815 -14.499 9.163 702 HG3 PRO 86 HG3 PRO 86 4.682 -13.441 8.304 703 HD2 PRO 86 HD2 PRO 86 7.653 -13.617 8.024 704 HD3 PRO 86 HD3 PRO 86 6.402 -13.235 6.805 705 H LYS 87 H LYS 87 8.526 -11.300 9.849 706 HA LYS 87 HA LYS 87 8.593 -9.912 12.299 707 HB2 LYS 87 HB2 LYS 87 10.405 -11.439 11.455 708 HB3 LYS 87 HB3 LYS 87 10.878 -10.173 10.322 709 HG2 LYS 87 HG2 LYS 87 11.284 -8.627 12.221 710 HG3 LYS 87 HG3 LYS 87 10.828 -9.902 13.349 711 HD2 LYS 87 HD2 LYS 87 13.200 -9.963 13.287 712 HD3 LYS 87 HD3 LYS 87 12.687 -11.310 12.270 713 HE2 LYS 87 HE2 LYS 87 13.043 -9.976 10.249 714 HE3 LYS 87 HE3 LYS 87 13.414 -8.555 11.222 715 HZ1 LYS 87 HZ1 LYS 87 14.981 -11.075 11.093 716 HZ2 LYS 87 HZ2 LYS 87 15.296 -9.805 12.177 717 HZ3 LYS 87 HZ3 LYS 87 15.447 -9.555 10.504 718 H MET 88 H MET 88 9.049 -8.787 8.978 719 HA MET 88 HA MET 88 10.022 -6.225 9.483 720 HB2 MET 88 HB2 MET 88 8.805 -7.622 7.198 721 HB3 MET 88 HB3 MET 88 8.409 -5.912 7.199 722 HG2 MET 88 HG2 MET 88 10.420 -5.917 6.015 723 HG3 MET 88 HG3 MET 88 10.992 -5.617 7.654 724 HE1 MET 88 HE1 MET 88 13.557 -7.911 5.725 725 HE2 MET 88 HE2 MET 88 13.583 -6.669 6.972 726 HE3 MET 88 HE3 MET 88 12.696 -6.383 5.478 727 H LYS 89 H LYS 89 9.166 -4.245 9.830 728 HA LYS 89 HA LYS 89 6.259 -4.084 10.371 729 HB2 LYS 89 HB2 LYS 89 8.470 -2.698 11.903 730 HB3 LYS 89 HB3 LYS 89 6.746 -2.409 12.129 731 HG2 LYS 89 HG2 LYS 89 6.512 -4.902 12.604 732 HG3 LYS 89 HG3 LYS 89 8.271 -4.975 12.659 733 HD2 LYS 89 HD2 LYS 89 6.632 -3.086 14.379 734 HD3 LYS 89 HD3 LYS 89 7.154 -4.674 14.924 735 HE2 LYS 89 HE2 LYS 89 9.511 -4.017 14.516 736 HE3 LYS 89 HE3 LYS 89 8.952 -2.409 14.046 737 HZ1 LYS 89 HZ1 LYS 89 7.938 -2.183 16.245 738 HZ2 LYS 89 HZ2 LYS 89 9.619 -2.414 16.350 739 HZ3 LYS 89 HZ3 LYS 89 8.556 -3.696 16.691 740 H ILE 90 H ILE 90 5.222 -2.166 9.777 741 HA ILE 90 HA ILE 90 6.820 -0.317 8.105 742 HB ILE 90 HB ILE 90 3.994 -1.249 7.481 743 HG12 ILE 90 HG12 ILE 90 5.473 -2.146 5.361 744 HG13 ILE 90 HG13 ILE 90 6.717 -2.238 6.601 745 HG21 ILE 90 HG21 ILE 90 4.105 0.855 6.502 746 HG22 ILE 90 HG22 ILE 90 4.783 -0.107 5.194 747 HG23 ILE 90 HG23 ILE 90 5.849 0.790 6.267 748 HD11 ILE 90 HD11 ILE 90 5.732 -4.351 6.724 749 HD12 ILE 90 HD12 ILE 90 4.115 -3.728 6.406 750 HD13 ILE 90 HD13 ILE 90 4.855 -3.486 7.987 751 H LEU 91 H LEU 91 6.590 1.789 8.487 752 HA LEU 91 HA LEU 91 4.980 2.675 10.695 753 HB2 LEU 91 HB2 LEU 91 5.884 4.909 10.181 754 HB3 LEU 91 HB3 LEU 91 7.143 3.690 10.302 755 HG LEU 91 HG LEU 91 6.578 3.561 7.577 756 HD11 LEU 91 HD11 LEU 91 6.686 6.127 6.956 757 HD12 LEU 91 HD12 LEU 91 5.928 6.342 8.532 758 HD13 LEU 91 HD13 LEU 91 5.136 5.370 7.297 759 HD21 LEU 91 HD21 LEU 91 8.833 3.751 8.641 760 HD22 LEU 91 HD22 LEU 91 8.558 5.477 8.878 761 HD23 LEU 91 HD23 LEU 91 8.668 4.819 7.246 762 H SER 92 H SER 92 3.026 3.540 10.686 763 HA SER 92 HA SER 92 1.785 4.253 8.100 764 HB2 SER 92 HB2 SER 92 0.538 2.693 10.390 765 HB3 SER 92 HB3 SER 92 -0.348 3.314 8.999 766 HG SER 92 HG SER 92 1.824 1.478 9.008 767 HA PRO 93 HA PRO 93 0.737 8.098 10.130 768 HB2 PRO 93 HB2 PRO 93 -1.387 8.955 8.718 769 HB3 PRO 93 HB3 PRO 93 0.240 8.874 8.006 770 HG2 PRO 93 HG2 PRO 93 -2.021 6.940 7.753 771 HG3 PRO 93 HG3 PRO 93 -0.965 7.597 6.489 772 HD2 PRO 93 HD2 PRO 93 -0.550 5.138 7.556 773 HD3 PRO 93 HD3 PRO 93 0.801 6.171 7.021 774 H GLU 94 H GLU 94 -0.670 9.001 11.658 775 HA GLU 94 HA GLU 94 -3.071 7.429 12.375 776 HB2 GLU 94 HB2 GLU 94 -1.149 8.779 14.298 777 HB3 GLU 94 HB3 GLU 94 -2.647 7.965 14.747 778 HG2 GLU 94 HG2 GLU 94 -1.736 5.855 13.735 779 HG3 GLU 94 HG3 GLU 94 -0.212 6.691 13.463 780 H ILE 95 H ILE 95 -4.863 8.585 12.240 781 HA ILE 95 HA ILE 95 -4.654 11.475 11.954 782 HB ILE 95 HB ILE 95 -7.041 11.360 11.250 783 HG12 ILE 95 HG12 ILE 95 -6.653 8.341 11.389 784 HG13 ILE 95 HG13 ILE 95 -7.542 9.242 12.612 785 HG21 ILE 95 HG21 ILE 95 -5.137 9.465 9.833 786 HG22 ILE 95 HG22 ILE 95 -5.181 11.216 9.633 787 HG23 ILE 95 HG23 ILE 95 -6.547 10.235 9.106 788 HD11 ILE 95 HD11 ILE 95 -9.011 8.228 10.828 789 HD12 ILE 95 HD12 ILE 95 -8.232 9.295 9.659 790 HD13 ILE 95 HD13 ILE 95 -9.179 9.978 10.982 791 H ASP 96 H ASP 96 -5.122 12.890 13.424 792 HA ASP 96 HA ASP 96 -7.122 12.652 15.426 793 HB2 ASP 96 HB2 ASP 96 -4.984 11.118 16.098 794 HB3 ASP 96 HB3 ASP 96 -4.433 12.662 16.737 795 H ALA 97 H ALA 97 -5.573 14.368 17.362 796 HA ALA 97 HA ALA 97 -6.081 16.924 16.272 797 HB1 ALA 97 HB1 ALA 97 -4.469 17.647 18.188 798 HB2 ALA 97 HB2 ALA 97 -4.496 15.942 18.635 799 HB3 ALA 97 HB3 ALA 97 -5.995 16.872 18.616 800 H ALA 98 H ALA 98 -3.177 14.924 16.444 801 HA ALA 98 HA ALA 98 -1.939 16.566 14.350 802 HB1 ALA 98 HB1 ALA 98 -0.750 15.855 17.016 803 HB2 ALA 98 HB2 ALA 98 -0.696 17.389 16.149 804 HB3 ALA 98 HB3 ALA 98 0.291 16.033 15.603 805 H VAL 99 H VAL 99 -0.859 15.365 12.820 806 HA VAL 99 HA VAL 99 -1.445 12.597 12.622 807 HB VAL 99 HB VAL 99 0.571 14.246 11.051 808 HG11 VAL 99 HG11 VAL 99 1.077 11.920 10.710 809 HG12 VAL 99 HG12 VAL 99 0.165 12.452 9.297 810 HG13 VAL 99 HG13 VAL 99 -0.631 11.509 10.556 811 HG21 VAL 99 HG21 VAL 99 -1.761 15.098 10.916 812 HG22 VAL 99 HG22 VAL 99 -2.306 13.494 10.424 813 HG23 VAL 99 HG23 VAL 99 -1.233 14.420 9.376 814 H LYS 100 H LYS 100 -0.372 10.845 13.318 815 HA LYS 100 HA LYS 100 2.392 11.180 14.344 816 HB2 LYS 100 HB2 LYS 100 0.560 11.117 16.133 817 HB3 LYS 100 HB3 LYS 100 0.321 9.439 15.670 818 HG2 LYS 100 HG2 LYS 100 1.869 9.293 17.447 819 HG3 LYS 100 HG3 LYS 100 2.883 9.169 16.011 820 HD2 LYS 100 HD2 LYS 100 3.338 11.618 16.155 821 HD3 LYS 100 HD3 LYS 100 2.385 11.684 17.638 822 HE2 LYS 100 HE2 LYS 100 4.823 9.924 17.258 823 HE3 LYS 100 HE3 LYS 100 4.847 11.495 18.058 824 HZ1 LYS 100 HZ1 LYS 100 4.607 9.893 19.747 825 HZ2 LYS 100 HZ2 LYS 100 3.403 9.048 18.895 826 HZ3 LYS 100 HZ3 LYS 100 3.069 10.579 19.554 827 H THR 101 H THR 101 3.801 9.512 13.962 828 HA THR 101 HA THR 101 2.899 7.470 12.073 829 HB THR 101 HB THR 101 4.946 8.712 11.520 830 HG1 THR 101 HG1 THR 101 4.770 6.527 10.891 831 HG21 THR 101 HG21 THR 101 6.035 7.511 14.083 832 HG22 THR 101 HG22 THR 101 5.748 9.224 13.773 833 HG23 THR 101 HG23 THR 101 7.000 8.363 12.878 834 H ALA 102 H ALA 102 2.767 5.326 12.476 835 HA ALA 102 HA ALA 102 3.856 4.245 14.978 836 HB1 ALA 102 HB1 ALA 102 1.570 2.991 15.187 837 HB2 ALA 102 HB2 ALA 102 0.950 4.343 14.239 838 HB3 ALA 102 HB3 ALA 102 1.716 4.638 15.801 839 H LEU 103 H LEU 103 4.750 2.310 14.699 840 HA LEU 103 HA LEU 103 4.805 1.084 12.100 841 HB2 LEU 103 HB2 LEU 103 5.936 0.182 14.762 842 HB3 LEU 103 HB3 LEU 103 6.246 -0.614 13.226 843 HG LEU 103 HG LEU 103 6.861 2.321 13.677 844 HD11 LEU 103 HD11 LEU 103 8.109 0.781 15.261 845 HD12 LEU 103 HD12 LEU 103 9.142 1.695 14.164 846 HD13 LEU 103 HD13 LEU 103 8.799 -0.005 13.841 847 HD21 LEU 103 HD21 LEU 103 6.672 1.481 11.319 848 HD22 LEU 103 HD22 LEU 103 7.908 0.281 11.674 849 HD23 LEU 103 HD23 LEU 103 8.307 1.998 11.714 850 H GLN 104 H GLN 104 3.977 -0.861 11.442 851 HA GLN 104 HA GLN 104 2.076 -2.201 13.268 852 HB2 GLN 104 HB2 GLN 104 0.637 -2.732 11.377 853 HB3 GLN 104 HB3 GLN 104 0.911 -0.994 11.386 854 HG2 GLN 104 HG2 GLN 104 2.831 -1.470 9.714 855 HG3 GLN 104 HG3 GLN 104 2.118 -3.068 9.548 856 HE21 GLN 104 HE21 GLN 104 2.218 -0.481 7.737 857 HE22 GLN 104 HE22 GLN 104 0.611 -0.352 7.206 858 H ASP 105 H ASP 105 2.080 -4.471 13.235 859 HA ASP 105 HA ASP 105 4.593 -5.608 12.282 860 HB2 ASP 105 HB2 ASP 105 2.630 -6.300 14.411 861 HB3 ASP 105 HB3 ASP 105 3.574 -7.614 13.712 862 H VAL 106 H VAL 106 4.759 -6.959 10.641 863 HA VAL 106 HA VAL 106 2.443 -7.564 9.053 864 HB VAL 106 HB VAL 106 5.330 -8.518 8.803 865 HG11 VAL 106 HG11 VAL 106 3.669 -9.970 7.623 866 HG12 VAL 106 HG12 VAL 106 4.757 -9.138 6.514 867 HG13 VAL 106 HG13 VAL 106 3.105 -8.555 6.735 868 HG21 VAL 106 HG21 VAL 106 4.800 -5.990 8.625 869 HG22 VAL 106 HG22 VAL 106 3.928 -6.391 7.149 870 HG23 VAL 106 HG23 VAL 106 5.656 -6.716 7.266 871 H GLU 107 H GLU 107 1.099 -9.248 9.382 872 HA GLU 107 HA GLU 107 1.736 -11.363 11.230 873 HB2 GLU 107 HB2 GLU 107 -0.605 -10.805 9.406 874 HB3 GLU 107 HB3 GLU 107 -0.479 -12.313 10.319 875 HG2 GLU 107 HG2 GLU 107 -0.429 -11.117 12.416 876 HG3 GLU 107 HG3 GLU 107 -0.315 -9.560 11.598 877 H SER 108 H SER 108 1.182 -11.123 7.729 878 HA SER 108 HA SER 108 3.283 -12.783 6.917 879 HB2 SER 108 HB2 SER 108 0.686 -14.199 7.372 880 HB3 SER 108 HB3 SER 108 1.728 -14.692 6.043 881 HG SER 108 HG SER 108 2.138 -15.798 8.049 882 H ILE 109 H ILE 109 2.992 -13.504 4.564 883 HA ILE 109 HA ILE 109 1.245 -11.591 3.133 884 HB ILE 109 HB ILE 109 3.875 -12.745 2.146 885 HG12 ILE 109 HG12 ILE 109 4.138 -9.931 2.295 886 HG13 ILE 109 HG13 ILE 109 3.220 -10.295 3.745 887 HG21 ILE 109 HG21 ILE 109 2.239 -12.292 0.348 888 HG22 ILE 109 HG22 ILE 109 3.597 -11.170 0.268 889 HG23 ILE 109 HG23 ILE 109 2.053 -10.637 0.931 890 HD11 ILE 109 HD11 ILE 109 5.813 -11.675 2.983 891 HD12 ILE 109 HD12 ILE 109 4.910 -11.897 4.481 892 HD13 ILE 109 HD13 ILE 109 5.678 -10.346 4.137 893 H GLU 110 H GLU 110 -0.328 -12.474 1.878 894 HA GLU 110 HA GLU 110 -0.079 -15.373 1.239 895 HB2 GLU 110 HB2 GLU 110 -2.533 -13.784 1.993 896 HB3 GLU 110 HB3 GLU 110 -2.597 -15.406 1.303 897 HG2 GLU 110 HG2 GLU 110 -1.326 -16.319 3.152 898 HG3 GLU 110 HG3 GLU 110 -1.023 -14.712 3.799 899 H LYS 111 H LYS 111 -0.136 -15.964 -0.789 900 HA LYS 111 HA LYS 111 -0.187 -14.083 -2.895 901 HB2 LYS 111 HB2 LYS 111 -0.528 -17.090 -2.987 902 HB3 LYS 111 HB3 LYS 111 -0.212 -16.062 -4.382 903 HG2 LYS 111 HG2 LYS 111 1.910 -15.311 -3.315 904 HG3 LYS 111 HG3 LYS 111 1.603 -16.421 -1.977 905 HD2 LYS 111 HD2 LYS 111 1.561 -18.318 -3.590 906 HD3 LYS 111 HD3 LYS 111 1.951 -17.183 -4.887 907 HE2 LYS 111 HE2 LYS 111 4.002 -18.258 -4.131 908 HE3 LYS 111 HE3 LYS 111 4.027 -16.556 -3.675 909 HZ1 LYS 111 HZ1 LYS 111 3.927 -17.043 -1.503 910 HZ2 LYS 111 HZ2 LYS 111 4.506 -18.566 -1.983 911 HZ3 LYS 111 HZ3 LYS 111 2.846 -18.333 -1.711 912 H LEU 112 H LEU 112 -1.758 -13.357 -4.167 913 HA LEU 112 HA LEU 112 -4.481 -14.464 -3.837 914 HB2 LEU 112 HB2 LEU 112 -3.545 -11.741 -3.629 915 HB3 LEU 112 HB3 LEU 112 -4.595 -11.843 -5.035 916 HG LEU 112 HG LEU 112 -6.299 -13.011 -3.537 917 HD11 LEU 112 HD11 LEU 112 -4.696 -11.847 -1.248 918 HD12 LEU 112 HD12 LEU 112 -4.480 -13.516 -1.772 919 HD13 LEU 112 HD13 LEU 112 -6.050 -12.975 -1.182 920 HD21 LEU 112 HD21 LEU 112 -6.967 -10.845 -2.412 921 HD22 LEU 112 HD22 LEU 112 -6.619 -10.683 -4.133 922 HD23 LEU 112 HD23 LEU 112 -5.428 -10.165 -2.940 923 H GLY 113 H GLY 113 -1.892 -13.865 -6.023 924 HA2 GLY 113 HA2 GLY 113 -1.589 -14.714 -8.142 925 HA3 GLY 113 HA3 GLY 113 -3.239 -15.289 -8.102 926 H VAL 114 H VAL 114 -3.457 -14.641 -10.261 927 HA VAL 114 HA VAL 114 -3.100 -11.984 -11.179 928 HB VAL 114 HB VAL 114 -4.812 -14.243 -12.282 929 HG11 VAL 114 HG11 VAL 114 -3.945 -11.599 -13.464 930 HG12 VAL 114 HG12 VAL 114 -5.585 -12.232 -13.312 931 HG13 VAL 114 HG13 VAL 114 -4.464 -12.958 -14.463 932 HG21 VAL 114 HG21 VAL 114 -2.011 -13.316 -13.009 933 HG22 VAL 114 HG22 VAL 114 -2.893 -14.633 -13.781 934 HG23 VAL 114 HG23 VAL 114 -2.392 -14.777 -12.096 935 H ASN 115 H ASN 115 -4.280 -10.255 -10.842 936 HA ASN 115 HA ASN 115 -7.170 -10.419 -10.383 937 HB2 ASN 115 HB2 ASN 115 -5.174 -9.195 -8.487 938 HB3 ASN 115 HB3 ASN 115 -6.862 -8.712 -8.508 939 HD21 ASN 115 HD21 ASN 115 -5.604 -10.003 -6.233 940 HD22 ASN 115 HD22 ASN 115 -6.341 -11.524 -6.023 941 H HIS 116 H HIS 116 -8.192 -8.249 -10.467 942 HA HIS 116 HA HIS 116 -7.078 -6.653 -12.600 943 HB2 HIS 116 HB2 HIS 116 -9.520 -6.220 -10.854 944 HB3 HIS 116 HB3 HIS 116 -9.087 -5.225 -12.244 945 HD2 HIS 116 HD2 HIS 116 -11.130 -8.357 -11.554 946 HE1 HIS 116 HE1 HIS 116 -10.147 -8.540 -15.656 947 HE2 HIS 116 HE2 HIS 116 -11.605 -9.539 -13.832 948 H VAL 117 H VAL 117 -5.818 -4.902 -12.367 949 HA VAL 117 HA VAL 117 -5.455 -3.801 -9.638 950 HB VAL 117 HB VAL 117 -3.023 -3.263 -10.567 951 HG11 VAL 117 HG11 VAL 117 -2.305 -5.595 -9.729 952 HG12 VAL 117 HG12 VAL 117 -4.029 -5.887 -9.478 953 HG13 VAL 117 HG13 VAL 117 -3.223 -4.564 -8.630 954 HG21 VAL 117 HG21 VAL 117 -2.151 -4.815 -12.171 955 HG22 VAL 117 HG22 VAL 117 -3.694 -4.300 -12.858 956 HG23 VAL 117 HG23 VAL 117 -3.571 -5.857 -12.045 957 H TYR 118 H TYR 118 -5.218 -1.709 -9.301 958 HA TYR 118 HA TYR 118 -5.139 0.174 -11.536 959 HB2 TYR 118 HB2 TYR 118 -7.217 0.480 -9.319 960 HB3 TYR 118 HB3 TYR 118 -7.011 1.451 -10.768 961 HD1 TYR 118 HD1 TYR 118 -8.297 -1.678 -9.407 962 HD2 TYR 118 HD2 TYR 118 -7.658 0.562 -12.992 963 HE1 TYR 118 HE1 TYR 118 -9.840 -3.196 -10.608 964 HE2 TYR 118 HE2 TYR 118 -9.204 -0.947 -14.218 965 HH TYR 118 HH TYR 118 -9.965 -3.743 -13.520 966 H ASP 119 H ASP 119 -4.292 2.241 -10.883 967 HA ASP 119 HA ASP 119 -3.738 2.789 -8.129 968 HB2 ASP 119 HB2 ASP 119 -1.976 1.036 -8.888 969 HB3 ASP 119 HB3 ASP 119 -1.256 2.383 -9.782 970 H ILE 120 H ILE 120 -2.577 4.857 -7.837 971 HA ILE 120 HA ILE 120 -2.697 6.574 -10.235 972 HB ILE 120 HB ILE 120 -4.756 6.863 -8.972 973 HG12 ILE 120 HG12 ILE 120 -3.256 9.403 -8.323 974 HG13 ILE 120 HG13 ILE 120 -3.277 8.894 -9.991 975 HG21 ILE 120 HG21 ILE 120 -4.293 6.301 -6.746 976 HG22 ILE 120 HG22 ILE 120 -4.461 8.052 -6.650 977 HG23 ILE 120 HG23 ILE 120 -2.858 7.323 -6.674 978 HD11 ILE 120 HD11 ILE 120 -5.171 10.339 -9.686 979 HD12 ILE 120 HD12 ILE 120 -5.659 9.473 -8.231 980 HD13 ILE 120 HD13 ILE 120 -5.804 8.695 -9.806 981 H GLU 121 H GLU 121 -1.306 8.235 -10.394 982 HA GLU 121 HA GLU 121 1.134 8.003 -8.863 983 HB2 GLU 121 HB2 GLU 121 0.431 9.739 -11.235 984 HB3 GLU 121 HB3 GLU 121 2.042 9.564 -10.546 985 HG2 GLU 121 HG2 GLU 121 1.961 7.126 -11.026 986 HG3 GLU 121 HG3 GLU 121 0.372 7.338 -11.765 987 H VAL 122 H VAL 122 2.249 9.776 -7.935 988 HA VAL 122 HA VAL 122 0.522 12.013 -7.060 989 HB VAL 122 HB VAL 122 1.697 11.995 -4.885 990 HG11 VAL 122 HG11 VAL 122 -0.442 10.701 -5.332 991 HG12 VAL 122 HG12 VAL 122 0.507 10.131 -3.958 992 HG13 VAL 122 HG13 VAL 122 0.557 9.256 -5.488 993 HG21 VAL 122 HG21 VAL 122 2.939 9.689 -4.446 994 HG22 VAL 122 HG22 VAL 122 3.795 11.014 -5.217 995 HG23 VAL 122 HG23 VAL 122 3.162 9.693 -6.194 996 H GLU 123 H GLU 123 1.698 13.950 -6.457 997 HA GLU 123 HA GLU 123 3.693 14.469 -8.493 998 HB2 GLU 123 HB2 GLU 123 3.400 16.931 -7.104 999 HB3 GLU 123 HB3 GLU 123 2.710 16.480 -8.652 1000 HG2 GLU 123 HG2 GLU 123 0.652 15.948 -7.686 1001 HG3 GLU 123 HG3 GLU 123 1.330 15.724 -6.079 1002 H HIS 124 H HIS 124 3.929 16.010 -5.300 1003 HA HIS 124 HA HIS 124 6.636 16.501 -5.542 1004 HB2 HIS 124 HB2 HIS 124 4.840 16.428 -3.145 1005 HB3 HIS 124 HB3 HIS 124 6.540 16.870 -3.023 1006 HD2 HIS 124 HD2 HIS 124 7.103 19.493 -3.878 1007 HE1 HIS 124 HE1 HIS 124 3.276 20.392 -5.420 1008 HE2 HIS 124 HE2 HIS 124 5.568 21.349 -4.885 1009 H ASN 125 H ASN 125 5.384 14.139 -3.127 1010 HA ASN 125 HA ASN 125 8.077 13.207 -2.699 1011 HB2 ASN 125 HB2 ASN 125 6.489 13.473 -0.853 1012 HB3 ASN 125 HB3 ASN 125 5.520 12.140 -1.502 1013 HD21 ASN 125 HD21 ASN 125 5.979 10.252 -0.397 1014 HD22 ASN 125 HD22 ASN 125 7.512 9.798 0.176 1015 H HIS 126 H HIS 126 5.722 12.328 -4.908 1016 HA HIS 126 HA HIS 126 5.523 10.570 -6.401 1017 HB2 HIS 126 HB2 HIS 126 8.426 10.138 -5.640 1018 HB3 HIS 126 HB3 HIS 126 7.628 9.433 -7.044 1019 HD2 HIS 126 HD2 HIS 126 9.494 12.653 -6.119 1020 HE1 HIS 126 HE1 HIS 126 7.429 13.497 -9.702 1021 HE2 HIS 126 HE2 HIS 126 9.205 14.334 -8.093 1022 H ASN 127 H ASN 127 4.940 10.043 -3.493 1023 HA ASN 127 HA ASN 127 4.808 7.120 -3.707 1024 HB2 ASN 127 HB2 ASN 127 5.851 8.502 -1.230 1025 HB3 ASN 127 HB3 ASN 127 5.549 6.779 -1.404 1026 HD21 ASN 127 HD21 ASN 127 8.118 8.688 -1.205 1027 HD22 ASN 127 HD22 ASN 127 9.151 7.983 -2.353 1028 H PHE 128 H PHE 128 3.174 6.161 -2.289 1029 HA PHE 128 HA PHE 128 1.365 7.999 -0.937 1030 HB2 PHE 128 HB2 PHE 128 -0.634 7.313 -2.151 1031 HB3 PHE 128 HB3 PHE 128 0.533 7.996 -3.277 1032 HD1 PHE 128 HD1 PHE 128 -1.113 4.907 -2.119 1033 HD2 PHE 128 HD2 PHE 128 1.679 6.570 -4.928 1034 HE1 PHE 128 HE1 PHE 128 -1.193 2.809 -3.440 1035 HE2 PHE 128 HE2 PHE 128 1.590 4.463 -6.246 1036 HZ PHE 128 HZ PHE 128 0.161 2.593 -5.500 1037 H VAL 129 H VAL 129 -0.333 6.877 0.298 1038 HA VAL 129 HA VAL 129 0.669 4.269 1.266 1039 HB VAL 129 HB VAL 129 -1.125 6.285 2.662 1040 HG11 VAL 129 HG11 VAL 129 -1.515 3.973 3.432 1041 HG12 VAL 129 HG12 VAL 129 -0.709 4.921 4.682 1042 HG13 VAL 129 HG13 VAL 129 0.215 3.773 3.715 1043 HG21 VAL 129 HG21 VAL 129 0.767 6.968 3.921 1044 HG22 VAL 129 HG22 VAL 129 1.348 6.907 2.258 1045 HG23 VAL 129 HG23 VAL 129 1.741 5.602 3.376 1046 H ALA 130 H ALA 130 -0.440 2.511 0.745 1047 HA ALA 130 HA ALA 130 -3.267 2.765 -0.029 1048 HB1 ALA 130 HB1 ALA 130 -1.438 0.412 -0.508 1049 HB2 ALA 130 HB2 ALA 130 -1.637 1.738 -1.653 1050 HB3 ALA 130 HB3 ALA 130 -3.013 0.715 -1.240 1051 H ASN 131 H ASN 131 -4.686 2.262 1.490 1052 HA ASN 131 HA ASN 131 -5.660 1.419 3.363 1053 HB2 ASN 131 HB2 ASN 131 -5.513 -0.625 1.827 1054 HB3 ASN 131 HB3 ASN 131 -4.142 -1.134 2.807 1055 HD21 ASN 131 HD21 ASN 131 -6.356 -2.823 2.832 1056 HD22 ASN 131 HD22 ASN 131 -7.182 -2.697 4.309 1057 H GLY 132 H GLY 132 -3.355 2.919 3.876 1058 HA2 GLY 132 HA2 GLY 132 -2.232 3.519 5.822 1059 HA3 GLY 132 HA3 GLY 132 -2.721 1.996 6.546 1060 H LEU 133 H LEU 133 -1.330 1.224 3.611 1061 HA LEU 133 HA LEU 133 1.308 0.754 4.864 1062 HB2 LEU 133 HB2 LEU 133 0.086 -1.308 4.229 1063 HB3 LEU 133 HB3 LEU 133 -0.042 -0.740 2.572 1064 HG LEU 133 HG LEU 133 2.500 -0.675 2.503 1065 HD11 LEU 133 HD11 LEU 133 2.269 -2.349 5.018 1066 HD12 LEU 133 HD12 LEU 133 2.777 -0.663 5.013 1067 HD13 LEU 133 HD13 LEU 133 3.749 -1.876 4.188 1068 HD21 LEU 133 HD21 LEU 133 1.033 -3.281 2.989 1069 HD22 LEU 133 HD22 LEU 133 2.684 -3.208 2.374 1070 HD23 LEU 133 HD23 LEU 133 1.363 -2.509 1.438 1071 H LEU 134 H LEU 134 2.914 2.027 4.154 1072 HA LEU 134 HA LEU 134 2.571 3.750 1.904 1073 HB2 LEU 134 HB2 LEU 134 3.808 4.560 3.814 1074 HB3 LEU 134 HB3 LEU 134 4.977 3.252 3.674 1075 HG LEU 134 HG LEU 134 5.716 4.162 1.469 1076 HD11 LEU 134 HD11 LEU 134 3.576 6.229 2.035 1077 HD12 LEU 134 HD12 LEU 134 3.800 5.253 0.583 1078 HD13 LEU 134 HD13 LEU 134 4.918 6.567 0.939 1079 HD21 LEU 134 HD21 LEU 134 6.604 4.992 3.798 1080 HD22 LEU 134 HD22 LEU 134 5.743 6.469 3.414 1081 HD23 LEU 134 HD23 LEU 134 7.034 5.910 2.357 1082 H VAL 135 H VAL 135 2.976 3.446 -0.128 1083 HA VAL 135 HA VAL 135 4.843 1.311 -0.963 1084 HB VAL 135 HB VAL 135 2.164 2.031 -2.212 1085 HG11 VAL 135 HG11 VAL 135 2.593 0.110 -3.713 1086 HG12 VAL 135 HG12 VAL 135 4.215 -0.048 -3.037 1087 HG13 VAL 135 HG13 VAL 135 3.774 1.399 -3.946 1088 HG21 VAL 135 HG21 VAL 135 3.106 -0.510 -0.838 1089 HG22 VAL 135 HG22 VAL 135 1.505 -0.235 -1.524 1090 HG23 VAL 135 HG23 VAL 135 2.031 0.689 -0.118 1091 H HIS 136 H HIS 136 6.336 1.852 -2.417 1092 HA HIS 136 HA HIS 136 6.723 4.570 -3.240 1093 HB2 HIS 136 HB2 HIS 136 8.625 3.061 -2.742 1094 HB3 HIS 136 HB3 HIS 136 8.178 2.041 -4.093 1095 HD2 HIS 136 HD2 HIS 136 9.322 2.861 -6.497 1096 HE1 HIS 136 HE1 HIS 136 10.544 6.712 -5.278 1097 HE2 HIS 136 HE2 HIS 136 10.617 5.024 -7.174 1098 H ASN 137 H ASN 137 6.466 5.498 -5.268 1099 HA ASN 137 HA ASN 137 5.741 3.968 -7.587 1100 HB2 ASN 137 HB2 ASN 137 3.615 4.120 -6.136 1101 HB3 ASN 137 HB3 ASN 137 3.578 5.815 -6.615 1102 HD21 ASN 137 HD21 ASN 137 1.784 5.720 -8.053 1103 HD22 ASN 137 HD22 ASN 137 1.783 4.788 -9.472 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 3.508 -1.175 -6.529 2 H2 GLU 1 HT2 GLU 1 2.174 -0.152 -6.286 3 H3 GLU 1 HT3 GLU 1 3.742 0.495 -6.347 4 HA GLU 1 HA GLU 1 3.277 0.963 -8.460 5 HB2 GLU 1 HB2 GLU 1 4.868 -1.009 -8.546 6 HB3 GLU 1 HB3 GLU 1 3.468 -2.040 -8.836 7 HG2 GLU 1 HG2 GLU 1 4.478 -1.451 -10.978 8 HG3 GLU 1 HG3 GLU 1 2.909 -0.666 -10.842 9 H ALA 2 H ALA 2 1.355 -1.807 -7.370 10 HA ALA 2 HA ALA 2 -1.012 -0.657 -8.637 11 HB1 ALA 2 HB1 ALA 2 -0.946 -3.518 -9.186 12 HB2 ALA 2 HB2 ALA 2 0.417 -2.685 -9.921 13 HB3 ALA 2 HB3 ALA 2 -1.228 -2.163 -10.278 14 H LEU 3 H LEU 3 -2.922 -1.211 -7.672 15 HA LEU 3 HA LEU 3 -2.779 -3.023 -5.332 16 HB2 LEU 3 HB2 LEU 3 -4.029 -0.290 -5.634 17 HB3 LEU 3 HB3 LEU 3 -4.696 -1.441 -4.482 18 HG LEU 3 HG LEU 3 -3.074 0.088 -3.386 19 HD11 LEU 3 HD11 LEU 3 -3.354 -2.263 -2.607 20 HD12 LEU 3 HD12 LEU 3 -1.815 -1.510 -2.184 21 HD13 LEU 3 HD13 LEU 3 -1.890 -2.674 -3.502 22 HD21 LEU 3 HD21 LEU 3 -1.621 0.162 -5.623 23 HD22 LEU 3 HD22 LEU 3 -0.756 -1.166 -4.854 24 HD23 LEU 3 HD23 LEU 3 -0.861 0.399 -4.052 25 H THR 4 H THR 4 -4.475 -4.492 -5.124 26 HA THR 4 HA THR 4 -5.878 -5.158 -7.467 27 HB THR 4 HB THR 4 -7.200 -6.709 -6.087 28 HG1 THR 4 HG1 THR 4 -5.990 -5.232 -4.002 29 HG21 THR 4 HG21 THR 4 -4.767 -7.141 -6.723 30 HG22 THR 4 HG22 THR 4 -5.409 -8.080 -5.374 31 HG23 THR 4 HG23 THR 4 -4.361 -6.695 -5.063 32 H GLY 5 H GLY 5 -8.210 -5.105 -7.867 33 HA2 GLY 5 HA2 GLY 5 -9.255 -2.552 -7.755 34 HA3 GLY 5 HA3 GLY 5 -10.198 -3.990 -8.108 35 H ASP 6 H ASP 6 -9.920 -5.310 -5.635 36 HA ASP 6 HA ASP 6 -11.953 -3.998 -4.113 37 HB2 ASP 6 HB2 ASP 6 -10.302 -6.451 -3.526 38 HB3 ASP 6 HB3 ASP 6 -11.562 -5.815 -2.463 39 H ALA 7 H ALA 7 -8.478 -3.972 -3.948 40 HA ALA 7 HA ALA 7 -8.110 -3.309 -1.241 41 HB1 ALA 7 HB1 ALA 7 -6.445 -2.585 -3.659 42 HB2 ALA 7 HB2 ALA 7 -6.209 -3.954 -2.573 43 HB3 ALA 7 HB3 ALA 7 -5.946 -2.314 -1.992 44 H LEU 8 H LEU 8 -7.621 -1.281 -0.267 45 HA LEU 8 HA LEU 8 -8.847 1.037 -1.624 46 HB2 LEU 8 HB2 LEU 8 -9.356 1.623 1.028 47 HB3 LEU 8 HB3 LEU 8 -10.533 1.005 -0.114 48 HG LEU 8 HG LEU 8 -8.861 -1.060 1.315 49 HD11 LEU 8 HD11 LEU 8 -10.156 -1.008 3.338 50 HD12 LEU 8 HD12 LEU 8 -11.194 0.270 2.706 51 HD13 LEU 8 HD13 LEU 8 -9.509 0.613 3.091 52 HD21 LEU 8 HD21 LEU 8 -10.851 -2.378 1.145 53 HD22 LEU 8 HD22 LEU 8 -10.707 -1.516 -0.387 54 HD23 LEU 8 HD23 LEU 8 -11.848 -0.955 0.835 55 H ILE 9 H ILE 9 -8.050 3.058 -1.210 56 HA ILE 9 HA ILE 9 -5.410 3.186 0.093 57 HB ILE 9 HB ILE 9 -6.261 4.601 -2.469 58 HG12 ILE 9 HG12 ILE 9 -4.143 2.446 -2.089 59 HG13 ILE 9 HG13 ILE 9 -5.790 2.088 -2.591 60 HG21 ILE 9 HG21 ILE 9 -4.615 5.835 -0.934 61 HG22 ILE 9 HG22 ILE 9 -4.009 5.486 -2.551 62 HG23 ILE 9 HG23 ILE 9 -3.501 4.490 -1.189 63 HD11 ILE 9 HD11 ILE 9 -3.916 3.971 -4.066 64 HD12 ILE 9 HD12 ILE 9 -5.532 3.491 -4.585 65 HD13 ILE 9 HD13 ILE 9 -4.232 2.300 -4.536 66 H LEU 10 H LEU 10 -4.943 4.979 1.321 67 HA LEU 10 HA LEU 10 -7.107 6.469 2.418 68 HB2 LEU 10 HB2 LEU 10 -4.105 6.766 2.610 69 HB3 LEU 10 HB3 LEU 10 -5.230 7.797 3.489 70 HG LEU 10 HG LEU 10 -5.313 4.775 3.682 71 HD11 LEU 10 HD11 LEU 10 -3.093 5.786 4.420 72 HD12 LEU 10 HD12 LEU 10 -3.973 4.914 5.676 73 HD13 LEU 10 HD13 LEU 10 -3.998 6.676 5.645 74 HD21 LEU 10 HD21 LEU 10 -7.355 5.753 4.462 75 HD22 LEU 10 HD22 LEU 10 -6.516 7.099 5.225 76 HD23 LEU 10 HD23 LEU 10 -6.414 5.489 5.927 77 H SER 11 H SER 11 -7.906 8.444 1.902 78 HA SER 11 HA SER 11 -6.428 10.148 0.041 79 HB2 SER 11 HB2 SER 11 -8.539 10.589 -1.168 80 HB3 SER 11 HB3 SER 11 -7.994 8.931 -1.343 81 HG SER 11 HG SER 11 -9.844 8.387 -0.504 82 H ASP 12 H ASP 12 -7.832 12.326 -0.117 83 HA ASP 12 HA ASP 12 -7.508 13.637 2.255 84 HB2 ASP 12 HB2 ASP 12 -8.465 15.509 1.257 85 HB3 ASP 12 HB3 ASP 12 -8.114 14.528 -0.162 86 H ARG 13 H ARG 13 -10.472 11.997 1.180 87 HA ARG 13 HA ARG 13 -12.027 12.759 3.471 88 HB2 ARG 13 HB2 ARG 13 -12.392 10.604 1.403 89 HB3 ARG 13 HB3 ARG 13 -13.568 10.946 2.673 90 HG2 ARG 13 HG2 ARG 13 -13.552 13.358 1.865 91 HG3 ARG 13 HG3 ARG 13 -12.648 12.791 0.461 92 HD2 ARG 13 HD2 ARG 13 -15.349 11.742 1.328 93 HD3 ARG 13 HD3 ARG 13 -15.086 12.900 0.030 94 HE ARG 13 HE ARG 13 -13.508 10.585 -0.467 95 HH11 ARG 13 HH11 ARG 13 -16.897 11.553 -0.352 96 HH12 ARG 13 HH12 ARG 13 -17.412 10.392 -1.528 97 HH21 ARG 13 HH21 ARG 13 -14.253 9.090 -2.076 98 HH22 ARG 13 HH22 ARG 13 -15.928 9.017 -2.484 99 H GLY 14 H GLY 14 -9.927 10.025 2.713 100 HA2 GLY 14 HA2 GLY 14 -8.946 9.097 4.920 101 HA3 GLY 14 HA3 GLY 14 -10.629 8.722 5.274 102 H TRP 15 H TRP 15 -10.111 6.466 5.387 103 HA TRP 15 HA TRP 15 -8.894 4.977 3.291 104 HB2 TRP 15 HB2 TRP 15 -10.543 4.335 5.710 105 HB3 TRP 15 HB3 TRP 15 -10.446 3.097 4.468 106 HD1 TRP 15 HD1 TRP 15 -7.568 3.007 3.576 107 HE1 TRP 15 HE1 TRP 15 -5.620 2.488 5.183 108 HE3 TRP 15 HE3 TRP 15 -9.750 4.220 8.034 109 HZ2 TRP 15 HZ2 TRP 15 -5.061 2.574 7.982 110 HZ3 TRP 15 HZ3 TRP 15 -8.485 3.990 10.155 111 HH2 TRP 15 HH2 TRP 15 -6.143 3.169 10.133 112 H LEU 16 H LEU 16 -9.631 4.916 1.270 113 HA LEU 16 HA LEU 16 -12.449 4.228 0.835 114 HB2 LEU 16 HB2 LEU 16 -11.019 6.566 -0.422 115 HB3 LEU 16 HB3 LEU 16 -12.501 5.884 -1.083 116 HG LEU 16 HG LEU 16 -12.261 6.823 1.793 117 HD11 LEU 16 HD11 LEU 16 -11.897 8.706 0.244 118 HD12 LEU 16 HD12 LEU 16 -13.460 8.839 1.056 119 HD13 LEU 16 HD13 LEU 16 -13.377 8.272 -0.608 120 HD21 LEU 16 HD21 LEU 16 -14.117 5.302 1.507 121 HD22 LEU 16 HD22 LEU 16 -14.576 6.050 -0.021 122 HD23 LEU 16 HD23 LEU 16 -14.810 6.922 1.492 123 H ARG 17 H ARG 17 -12.890 3.433 -1.365 124 HA ARG 17 HA ARG 17 -11.152 1.341 -2.044 125 HB2 ARG 17 HB2 ARG 17 -13.272 2.583 -3.817 126 HB3 ARG 17 HB3 ARG 17 -12.574 0.979 -3.997 127 HG2 ARG 17 HG2 ARG 17 -14.063 1.873 -1.503 128 HG3 ARG 17 HG3 ARG 17 -14.833 1.016 -2.833 129 HD2 ARG 17 HD2 ARG 17 -12.484 -0.042 -1.216 130 HD3 ARG 17 HD3 ARG 17 -14.163 -0.514 -0.986 131 HE ARG 17 HE ARG 17 -12.390 -1.412 -3.083 132 HH11 ARG 17 HH11 ARG 17 -15.743 -1.024 -2.087 133 HH12 ARG 17 HH12 ARG 17 -16.353 -2.157 -3.246 134 HH21 ARG 17 HH21 ARG 17 -13.266 -2.781 -4.690 135 HH22 ARG 17 HH22 ARG 17 -14.956 -3.149 -4.700 136 H ILE 18 H ILE 18 -9.732 0.966 -3.677 137 HA ILE 18 HA ILE 18 -7.856 2.852 -4.286 138 HB ILE 18 HB ILE 18 -7.163 1.315 -6.209 139 HG12 ILE 18 HG12 ILE 18 -8.267 -1.007 -6.020 140 HG13 ILE 18 HG13 ILE 18 -9.577 -0.232 -5.155 141 HG21 ILE 18 HG21 ILE 18 -6.762 -0.637 -4.409 142 HG22 ILE 18 HG22 ILE 18 -7.324 0.613 -3.303 143 HG23 ILE 18 HG23 ILE 18 -5.925 0.906 -4.325 144 HD11 ILE 18 HD11 ILE 18 -8.881 1.125 -7.692 145 HD12 ILE 18 HD12 ILE 18 -10.445 0.652 -7.045 146 HD13 ILE 18 HD13 ILE 18 -9.458 -0.525 -7.881 147 H ASP 19 H ASP 19 -10.880 2.420 -5.986 148 HA ASP 19 HA ASP 19 -9.913 4.193 -8.156 149 HB2 ASP 19 HB2 ASP 19 -11.544 3.177 -9.627 150 HB3 ASP 19 HB3 ASP 19 -10.607 1.929 -8.861 151 H ASP 20 H ASP 20 -11.298 4.829 -5.420 152 HA ASP 20 HA ASP 20 -13.795 6.027 -6.155 153 HB2 ASP 20 HB2 ASP 20 -12.090 6.256 -3.678 154 HB3 ASP 20 HB3 ASP 20 -13.588 7.158 -3.880 155 HA PRO 21 HA PRO 21 -12.719 9.963 -7.868 156 HB2 PRO 21 HB2 PRO 21 -14.391 11.705 -6.511 157 HB3 PRO 21 HB3 PRO 21 -14.887 10.685 -7.878 158 HG2 PRO 21 HG2 PRO 21 -15.223 10.211 -4.953 159 HG3 PRO 21 HG3 PRO 21 -16.373 9.945 -6.280 160 HD2 PRO 21 HD2 PRO 21 -15.048 7.885 -5.218 161 HD3 PRO 21 HD3 PRO 21 -15.323 7.968 -6.978 162 H THR 22 H THR 22 -12.534 9.506 -4.420 163 HA THR 22 HA THR 22 -11.271 11.947 -3.681 164 HB THR 22 HB THR 22 -10.477 9.494 -2.186 165 HG1 THR 22 HG1 THR 22 -12.424 8.710 -2.435 166 HG21 THR 22 HG21 THR 22 -10.171 11.838 -1.351 167 HG22 THR 22 HG22 THR 22 -11.167 10.863 -0.270 168 HG23 THR 22 HG23 THR 22 -11.919 12.025 -1.353 169 H LEU 23 H LEU 23 -9.989 8.742 -4.572 170 HA LEU 23 HA LEU 23 -7.257 9.454 -4.447 171 HB2 LEU 23 HB2 LEU 23 -8.732 7.295 -5.943 172 HB3 LEU 23 HB3 LEU 23 -6.978 7.448 -5.984 173 HG LEU 23 HG LEU 23 -8.472 7.325 -3.359 174 HD11 LEU 23 HD11 LEU 23 -8.174 4.937 -3.306 175 HD12 LEU 23 HD12 LEU 23 -7.260 4.965 -4.816 176 HD13 LEU 23 HD13 LEU 23 -8.987 5.324 -4.822 177 HD21 LEU 23 HD21 LEU 23 -6.338 6.693 -2.466 178 HD22 LEU 23 HD22 LEU 23 -6.039 8.065 -3.526 179 HD23 LEU 23 HD23 LEU 23 -5.667 6.436 -4.075 180 H GLN 24 H GLN 24 -9.599 9.454 -7.134 181 HA GLN 24 HA GLN 24 -7.642 10.195 -9.076 182 HB2 GLN 24 HB2 GLN 24 -10.647 10.116 -9.177 183 HB3 GLN 24 HB3 GLN 24 -9.700 10.753 -10.519 184 HG2 GLN 24 HG2 GLN 24 -9.902 8.495 -11.113 185 HG3 GLN 24 HG3 GLN 24 -8.346 8.508 -10.286 186 HE21 GLN 24 HE21 GLN 24 -8.175 6.719 -8.960 187 HE22 GLN 24 HE22 GLN 24 -9.437 6.054 -8.044 188 H GLU 25 H GLU 25 -9.925 12.199 -7.217 189 HA GLU 25 HA GLU 25 -8.777 14.577 -8.567 190 HB2 GLU 25 HB2 GLU 25 -11.524 14.121 -7.424 191 HB3 GLU 25 HB3 GLU 25 -10.933 15.705 -7.926 192 HG2 GLU 25 HG2 GLU 25 -10.579 14.920 -10.200 193 HG3 GLU 25 HG3 GLU 25 -10.964 13.268 -9.732 194 H CYS 26 H CYS 26 -8.591 13.090 -5.547 195 HA CYS 26 HA CYS 26 -8.057 15.697 -4.267 196 HB2 CYS 26 HB2 CYS 26 -9.344 13.292 -2.959 197 HB3 CYS 26 HB3 CYS 26 -8.811 14.733 -2.131 198 HG CYS 26 HG CYS 26 -10.522 16.012 -3.895 199 H ARG 27 H ARG 27 -6.599 15.658 -2.471 200 HA ARG 27 HA ARG 27 -4.139 14.419 -3.128 201 HB2 ARG 27 HB2 ARG 27 -5.091 15.972 -0.720 202 HB3 ARG 27 HB3 ARG 27 -3.486 15.262 -0.788 203 HG2 ARG 27 HG2 ARG 27 -3.026 17.372 -1.656 204 HG3 ARG 27 HG3 ARG 27 -3.353 16.498 -3.145 205 HD2 ARG 27 HD2 ARG 27 -4.572 18.602 -3.170 206 HD3 ARG 27 HD3 ARG 27 -5.722 17.276 -3.041 207 HE ARG 27 HE ARG 27 -4.983 18.213 -0.446 208 HH11 ARG 27 HH11 ARG 27 -6.967 19.093 -3.208 209 HH12 ARG 27 HH12 ARG 27 -8.072 20.036 -2.266 210 HH21 ARG 27 HH21 ARG 27 -6.444 19.460 0.744 211 HH22 ARG 27 HH22 ARG 27 -7.776 20.241 -0.042 212 H VAL 28 H VAL 28 -2.887 12.954 -1.856 213 HA VAL 28 HA VAL 28 -4.462 11.155 -0.102 214 HB VAL 28 HB VAL 28 -3.249 9.209 -1.039 215 HG11 VAL 28 HG11 VAL 28 -4.867 10.955 -2.900 216 HG12 VAL 28 HG12 VAL 28 -5.414 9.581 -1.942 217 HG13 VAL 28 HG13 VAL 28 -4.374 9.321 -3.341 218 HG21 VAL 28 HG21 VAL 28 -2.189 11.283 -2.993 219 HG22 VAL 28 HG22 VAL 28 -2.060 9.541 -3.233 220 HG23 VAL 28 HG23 VAL 28 -1.232 10.306 -1.876 221 H LEU 29 H LEU 29 -3.212 9.916 1.453 222 HA LEU 29 HA LEU 29 -1.235 11.539 2.729 223 HB2 LEU 29 HB2 LEU 29 -2.268 8.766 3.338 224 HB3 LEU 29 HB3 LEU 29 -1.089 9.603 4.344 225 HG LEU 29 HG LEU 29 -3.797 10.779 3.637 226 HD11 LEU 29 HD11 LEU 29 -3.966 8.646 4.945 227 HD12 LEU 29 HD12 LEU 29 -4.560 10.053 5.825 228 HD13 LEU 29 HD13 LEU 29 -2.970 9.385 6.198 229 HD21 LEU 29 HD21 LEU 29 -3.220 12.126 5.768 230 HD22 LEU 29 HD22 LEU 29 -2.280 12.506 4.326 231 HD23 LEU 29 HD23 LEU 29 -1.583 11.491 5.589 232 H SER 30 H SER 30 0.901 11.477 2.687 233 HA SER 30 HA SER 30 2.318 9.107 1.707 234 HB2 SER 30 HB2 SER 30 2.726 11.848 0.503 235 HB3 SER 30 HB3 SER 30 3.595 10.376 0.087 236 HG SER 30 HG SER 30 1.887 10.754 -1.364 237 H TYR 31 H TYR 31 4.719 9.327 2.053 238 HA TYR 31 HA TYR 31 5.234 10.840 4.516 239 HB2 TYR 31 HB2 TYR 31 5.661 8.325 4.439 240 HB3 TYR 31 HB3 TYR 31 6.936 8.668 3.272 241 HD1 TYR 31 HD1 TYR 31 5.844 9.142 6.776 242 HD2 TYR 31 HD2 TYR 31 9.000 9.745 3.924 243 HE1 TYR 31 HE1 TYR 31 7.403 9.707 8.620 244 HE2 TYR 31 HE2 TYR 31 10.559 10.308 5.769 245 HH TYR 31 HH TYR 31 10.123 9.556 8.837 246 H ASN 32 H ASN 32 6.168 12.756 4.200 247 HA ASN 32 HA ASN 32 7.664 13.249 1.762 248 HB2 ASN 32 HB2 ASN 32 6.430 14.926 3.883 249 HB3 ASN 32 HB3 ASN 32 7.873 15.580 3.118 250 HD21 ASN 32 HD21 ASN 32 7.420 16.805 1.305 251 HD22 ASN 32 HD22 ASN 32 6.079 16.584 0.285 252 H GLU 33 H GLU 33 9.525 12.153 1.910 253 HA GLU 33 HA GLU 33 11.196 11.928 4.170 254 HB2 GLU 33 HB2 GLU 33 11.837 11.811 1.220 255 HB3 GLU 33 HB3 GLU 33 13.031 11.485 2.477 256 HG2 GLU 33 HG2 GLU 33 11.693 9.654 3.350 257 HG3 GLU 33 HG3 GLU 33 10.383 10.028 2.234 258 H SER 34 H SER 34 10.951 14.432 1.721 259 HA SER 34 HA SER 34 13.326 15.835 2.184 260 HB2 SER 34 HB2 SER 34 11.869 16.265 0.255 261 HB3 SER 34 HB3 SER 34 10.629 16.898 1.334 262 HG SER 34 HG SER 34 12.896 18.074 0.369 263 H THR 35 H THR 35 10.134 16.164 3.740 264 HA THR 35 HA THR 35 11.271 18.118 5.645 265 HB THR 35 HB THR 35 8.927 18.603 6.254 266 HG1 THR 35 HG1 THR 35 7.309 17.637 4.960 267 HG21 THR 35 HG21 THR 35 8.261 19.561 4.023 268 HG22 THR 35 HG22 THR 35 9.624 18.698 3.311 269 HG23 THR 35 HG23 THR 35 9.908 19.954 4.517 270 H GLN 36 H GLN 36 10.681 14.818 5.496 271 HA GLN 36 HA GLN 36 10.597 13.124 7.009 272 HB2 GLN 36 HB2 GLN 36 11.613 15.210 8.966 273 HB3 GLN 36 HB3 GLN 36 11.672 13.464 9.193 274 HG2 GLN 36 HG2 GLN 36 13.833 13.967 8.404 275 HG3 GLN 36 HG3 GLN 36 12.998 13.442 6.945 276 HE21 GLN 36 HE21 GLN 36 13.098 16.592 8.734 277 HE22 GLN 36 HE22 GLN 36 13.495 17.513 7.363 278 H GLN 37 H GLN 37 8.229 14.815 6.619 279 HA GLN 37 HA GLN 37 6.751 14.054 9.054 280 HB2 GLN 37 HB2 GLN 37 6.498 16.736 7.659 281 HB3 GLN 37 HB3 GLN 37 5.463 16.164 8.965 282 HG2 GLN 37 HG2 GLN 37 8.468 16.528 9.186 283 HG3 GLN 37 HG3 GLN 37 7.274 17.683 9.774 284 HE21 GLN 37 HE21 GLN 37 5.446 16.316 11.174 285 HE22 GLN 37 HE22 GLN 37 6.140 15.333 12.369 286 H TRP 38 H TRP 38 4.403 13.856 8.683 287 HA TRP 38 HA TRP 38 3.832 12.662 6.107 288 HB2 TRP 38 HB2 TRP 38 2.172 13.108 8.595 289 HB3 TRP 38 HB3 TRP 38 1.490 12.438 7.115 290 HD1 TRP 38 HD1 TRP 38 3.493 11.525 10.128 291 HE1 TRP 38 HE1 TRP 38 4.187 9.048 9.992 292 HE3 TRP 38 HE3 TRP 38 2.217 10.506 5.295 293 HZ2 TRP 38 HZ2 TRP 38 4.208 6.915 8.088 294 HZ3 TRP 38 HZ3 TRP 38 2.585 8.247 4.340 295 HH2 TRP 38 HH2 TRP 38 3.579 6.450 5.733 296 H GLU 39 H GLU 39 2.918 13.588 4.409 297 HA GLU 39 HA GLU 39 1.367 16.051 4.745 298 HB2 GLU 39 HB2 GLU 39 3.723 15.814 2.858 299 HB3 GLU 39 HB3 GLU 39 2.578 17.155 2.888 300 HG2 GLU 39 HG2 GLU 39 3.182 17.593 5.259 301 HG3 GLU 39 HG3 GLU 39 4.370 16.293 5.181 302 H TRP 40 H TRP 40 0.053 16.602 2.931 303 HA TRP 40 HA TRP 40 -0.859 14.235 1.472 304 HB2 TRP 40 HB2 TRP 40 -2.078 16.774 2.386 305 HB3 TRP 40 HB3 TRP 40 -2.571 16.319 0.761 306 HD1 TRP 40 HD1 TRP 40 -3.364 13.580 0.614 307 HE1 TRP 40 HE1 TRP 40 -4.947 12.349 2.233 308 HE3 TRP 40 HE3 TRP 40 -3.012 16.641 4.684 309 HZ2 TRP 40 HZ2 TRP 40 -5.934 12.623 4.894 310 HZ3 TRP 40 HZ3 TRP 40 -4.287 16.133 6.751 311 HH2 TRP 40 HH2 TRP 40 -5.747 14.129 6.861 312 H GLN 41 H GLN 41 -0.334 13.843 -0.538 313 HA GLN 41 HA GLN 41 0.927 15.951 -2.163 314 HB2 GLN 41 HB2 GLN 41 0.985 12.934 -2.268 315 HB3 GLN 41 HB3 GLN 41 1.522 13.918 -3.629 316 HG2 GLN 41 HG2 GLN 41 3.201 15.013 -2.265 317 HG3 GLN 41 HG3 GLN 41 2.584 14.240 -0.809 318 HE21 GLN 41 HE21 GLN 41 3.351 12.854 -4.064 319 HE22 GLN 41 HE22 GLN 41 4.422 11.684 -3.461 320 H GLN 42 H GLN 42 0.430 15.709 -4.639 321 HA GLN 42 HA GLN 42 -2.491 15.688 -4.847 322 HB2 GLN 42 HB2 GLN 42 -1.172 17.721 -5.555 323 HB3 GLN 42 HB3 GLN 42 -0.496 16.734 -6.849 324 HG2 GLN 42 HG2 GLN 42 -2.406 17.932 -7.750 325 HG3 GLN 42 HG3 GLN 42 -2.839 16.229 -7.612 326 HE21 GLN 42 HE21 GLN 42 -4.526 15.651 -6.124 327 HE22 GLN 42 HE22 GLN 42 -5.401 16.806 -5.241 328 H VAL 43 H VAL 43 -3.541 14.175 -5.884 329 HA VAL 43 HA VAL 43 -2.184 11.938 -7.034 330 HB VAL 43 HB VAL 43 -4.445 11.086 -7.509 331 HG11 VAL 43 HG11 VAL 43 -3.905 12.254 -4.776 332 HG12 VAL 43 HG12 VAL 43 -3.655 10.599 -5.329 333 HG13 VAL 43 HG13 VAL 43 -5.289 11.207 -5.084 334 HG21 VAL 43 HG21 VAL 43 -5.757 12.938 -8.126 335 HG22 VAL 43 HG22 VAL 43 -5.223 13.917 -6.766 336 HG23 VAL 43 HG23 VAL 43 -6.368 12.604 -6.505 337 H LEU 44 H LEU 44 -1.379 11.938 -8.945 338 HA LEU 44 HA LEU 44 -1.707 13.938 -10.848 339 HB2 LEU 44 HB2 LEU 44 0.123 11.980 -10.376 340 HB3 LEU 44 HB3 LEU 44 -0.713 11.297 -11.763 341 HG LEU 44 HG LEU 44 -0.362 13.537 -12.931 342 HD11 LEU 44 HD11 LEU 44 0.083 14.962 -11.078 343 HD12 LEU 44 HD12 LEU 44 1.619 14.820 -11.940 344 HD13 LEU 44 HD13 LEU 44 1.343 13.895 -10.455 345 HD21 LEU 44 HD21 LEU 44 2.025 13.021 -13.448 346 HD22 LEU 44 HD22 LEU 44 1.025 11.567 -13.437 347 HD23 LEU 44 HD23 LEU 44 2.067 11.930 -12.062 348 H ARG 45 H ARG 45 -2.650 10.484 -11.080 349 HA ARG 45 HA ARG 45 -5.126 11.055 -12.382 350 HB2 ARG 45 HB2 ARG 45 -4.571 10.384 -14.669 351 HB3 ARG 45 HB3 ARG 45 -3.546 11.736 -14.157 352 HG2 ARG 45 HG2 ARG 45 -1.724 10.162 -13.625 353 HG3 ARG 45 HG3 ARG 45 -2.729 8.822 -14.178 354 HD2 ARG 45 HD2 ARG 45 -2.860 9.824 -16.420 355 HD3 ARG 45 HD3 ARG 45 -1.880 11.182 -15.878 356 HE ARG 45 HE ARG 45 -0.467 8.789 -15.367 357 HH11 ARG 45 HH11 ARG 45 -1.511 10.727 -18.106 358 HH12 ARG 45 HH12 ARG 45 -0.213 10.202 -19.125 359 HH21 ARG 45 HH21 ARG 45 1.208 8.129 -16.733 360 HH22 ARG 45 HH22 ARG 45 1.317 8.739 -18.349 361 H TRP 46 H TRP 46 -6.034 8.978 -13.482 362 HA TRP 46 HA TRP 46 -5.573 6.794 -11.584 363 HB2 TRP 46 HB2 TRP 46 -7.902 7.752 -12.153 364 HB3 TRP 46 HB3 TRP 46 -7.748 6.881 -13.671 365 HD1 TRP 46 HD1 TRP 46 -6.714 5.645 -10.118 366 HE1 TRP 46 HE1 TRP 46 -7.946 3.442 -9.640 367 HE3 TRP 46 HE3 TRP 46 -9.627 5.320 -14.316 368 HZ2 TRP 46 HZ2 TRP 46 -9.898 1.769 -10.850 369 HZ3 TRP 46 HZ3 TRP 46 -11.170 3.396 -14.612 370 HH2 TRP 46 HH2 TRP 46 -11.299 1.621 -12.876 371 H LEU 47 H LEU 47 -4.167 5.287 -12.087 372 HA LEU 47 HA LEU 47 -3.707 4.538 -14.895 373 HB2 LEU 47 HB2 LEU 47 -2.078 4.476 -12.398 374 HB3 LEU 47 HB3 LEU 47 -1.851 3.102 -13.465 375 HG LEU 47 HG LEU 47 -0.201 4.855 -13.943 376 HD11 LEU 47 HD11 LEU 47 -2.143 4.882 -16.251 377 HD12 LEU 47 HD12 LEU 47 -1.234 3.438 -15.802 378 HD13 LEU 47 HD13 LEU 47 -0.379 4.899 -16.296 379 HD21 LEU 47 HD21 LEU 47 -2.385 6.705 -14.916 380 HD22 LEU 47 HD22 LEU 47 -0.714 7.079 -14.496 381 HD23 LEU 47 HD23 LEU 47 -1.882 6.732 -13.225 382 H ASP 48 H ASP 48 -4.929 2.906 -15.617 383 HA ASP 48 HA ASP 48 -5.898 0.808 -13.783 384 HB2 ASP 48 HB2 ASP 48 -6.458 1.231 -16.738 385 HB3 ASP 48 HB3 ASP 48 -7.290 0.112 -15.661 386 H GLN 49 H GLN 49 -4.117 -0.480 -13.378 387 HA GLN 49 HA GLN 49 -2.138 -1.164 -15.262 388 HB2 GLN 49 HB2 GLN 49 -2.960 -2.475 -12.680 389 HB3 GLN 49 HB3 GLN 49 -1.575 -3.017 -13.630 390 HG2 GLN 49 HG2 GLN 49 -0.569 -1.523 -12.148 391 HG3 GLN 49 HG3 GLN 49 -0.887 -0.459 -13.510 392 HE21 GLN 49 HE21 GLN 49 -1.346 1.503 -12.415 393 HE22 GLN 49 HE22 GLN 49 -2.596 1.662 -11.275 394 H GLY 50 H GLY 50 -5.131 -2.822 -14.333 395 HA2 GLY 50 HA2 GLY 50 -6.344 -4.135 -15.983 396 HA3 GLY 50 HA3 GLY 50 -4.795 -4.598 -16.683 397 H VAL 51 H VAL 51 -4.712 -6.763 -16.447 398 HA VAL 51 HA VAL 51 -5.368 -7.924 -13.811 399 HB VAL 51 HB VAL 51 -5.413 -10.110 -14.979 400 HG11 VAL 51 HG11 VAL 51 -7.484 -9.702 -16.234 401 HG12 VAL 51 HG12 VAL 51 -7.126 -7.975 -16.275 402 HG13 VAL 51 HG13 VAL 51 -7.466 -8.770 -14.737 403 HG21 VAL 51 HG21 VAL 51 -3.848 -9.678 -16.811 404 HG22 VAL 51 HG22 VAL 51 -4.888 -8.404 -17.445 405 HG23 VAL 51 HG23 VAL 51 -5.419 -10.081 -17.496 406 H ARG 52 H ARG 52 -3.809 -8.501 -12.487 407 HA ARG 52 HA ARG 52 -1.316 -9.593 -13.436 408 HB2 ARG 52 HB2 ARG 52 -0.810 -7.236 -13.707 409 HB3 ARG 52 HB3 ARG 52 -1.326 -6.890 -12.058 410 HG2 ARG 52 HG2 ARG 52 0.558 -7.965 -11.107 411 HG3 ARG 52 HG3 ARG 52 0.886 -8.890 -12.569 412 HD2 ARG 52 HD2 ARG 52 2.517 -7.034 -12.222 413 HD3 ARG 52 HD3 ARG 52 1.627 -6.876 -13.734 414 HE ARG 52 HE ARG 52 0.364 -5.431 -11.594 415 HH11 ARG 52 HH11 ARG 52 3.090 -5.259 -13.808 416 HH12 ARG 52 HH12 ARG 52 3.117 -3.527 -13.831 417 HH21 ARG 52 HH21 ARG 52 0.380 -3.176 -11.740 418 HH22 ARG 52 HH22 ARG 52 1.595 -2.359 -12.662 419 H GLU 53 H GLU 53 -0.100 -10.608 -11.892 420 HA GLU 53 HA GLU 53 -1.469 -11.866 -9.782 421 HB2 GLU 53 HB2 GLU 53 0.498 -12.800 -11.040 422 HB3 GLU 53 HB3 GLU 53 1.528 -11.691 -10.135 423 HG2 GLU 53 HG2 GLU 53 0.738 -12.699 -8.013 424 HG3 GLU 53 HG3 GLU 53 -0.266 -13.817 -8.929 425 H THR 54 H THR 54 -1.373 -11.619 -7.514 426 HA THR 54 HA THR 54 0.159 -9.285 -6.549 427 HB THR 54 HB THR 54 -2.119 -8.482 -7.072 428 HG1 THR 54 HG1 THR 54 -1.411 -8.616 -4.333 429 HG21 THR 54 HG21 THR 54 -3.762 -9.321 -5.074 430 HG22 THR 54 HG22 THR 54 -2.900 -10.821 -5.396 431 HG23 THR 54 HG23 THR 54 -3.776 -10.008 -6.695 432 H TRP 55 H TRP 55 0.683 -9.203 -4.391 433 HA TRP 55 HA TRP 55 0.377 -11.716 -2.849 434 HB2 TRP 55 HB2 TRP 55 2.620 -9.676 -2.924 435 HB3 TRP 55 HB3 TRP 55 2.496 -10.932 -1.700 436 HD1 TRP 55 HD1 TRP 55 2.193 -10.977 -5.586 437 HE1 TRP 55 HE1 TRP 55 3.668 -12.896 -6.467 438 HE3 TRP 55 HE3 TRP 55 4.090 -12.735 -1.180 439 HZ2 TRP 55 HZ2 TRP 55 5.424 -14.903 -5.446 440 HZ3 TRP 55 HZ3 TRP 55 5.667 -14.649 -1.166 441 HH2 TRP 55 HH2 TRP 55 6.335 -15.733 -3.294 442 H LYS 56 H LYS 56 -0.625 -11.511 -0.896 443 HA LYS 56 HA LYS 56 -1.492 -8.845 -0.058 444 HB2 LYS 56 HB2 LYS 56 -3.214 -10.591 -0.355 445 HB3 LYS 56 HB3 LYS 56 -2.434 -11.568 0.884 446 HG2 LYS 56 HG2 LYS 56 -2.856 -9.791 2.572 447 HG3 LYS 56 HG3 LYS 56 -3.616 -8.797 1.321 448 HD2 LYS 56 HD2 LYS 56 -5.320 -10.539 0.959 449 HD3 LYS 56 HD3 LYS 56 -4.563 -11.542 2.195 450 HE2 LYS 56 HE2 LYS 56 -4.986 -9.799 3.882 451 HE3 LYS 56 HE3 LYS 56 -5.736 -8.784 2.650 452 HZ1 LYS 56 HZ1 LYS 56 -6.680 -11.523 3.277 453 HZ2 LYS 56 HZ2 LYS 56 -7.469 -10.332 2.356 454 HZ3 LYS 56 HZ3 LYS 56 -7.301 -10.140 4.036 455 H ILE 57 H ILE 57 0.039 -7.909 1.107 456 HA ILE 57 HA ILE 57 1.482 -9.275 3.205 457 HB ILE 57 HB ILE 57 1.387 -6.285 2.634 458 HG12 ILE 57 HG12 ILE 57 3.782 -6.922 1.640 459 HG13 ILE 57 HG13 ILE 57 3.068 -8.520 1.455 460 HG21 ILE 57 HG21 ILE 57 3.374 -6.150 3.982 461 HG22 ILE 57 HG22 ILE 57 3.494 -7.907 4.085 462 HG23 ILE 57 HG23 ILE 57 2.181 -7.064 4.907 463 HD11 ILE 57 HD11 ILE 57 1.569 -6.118 0.437 464 HD12 ILE 57 HD12 ILE 57 1.528 -7.789 -0.130 465 HD13 ILE 57 HD13 ILE 57 2.916 -6.769 -0.495 466 H LYS 58 H LYS 58 0.328 -9.862 4.842 467 HA LYS 58 HA LYS 58 -1.927 -8.345 5.866 468 HB2 LYS 58 HB2 LYS 58 -2.078 -10.819 5.602 469 HB3 LYS 58 HB3 LYS 58 -0.720 -11.007 6.676 470 HG2 LYS 58 HG2 LYS 58 -2.754 -11.417 7.958 471 HG3 LYS 58 HG3 LYS 58 -2.037 -9.909 8.516 472 HD2 LYS 58 HD2 LYS 58 -3.630 -8.598 7.332 473 HD3 LYS 58 HD3 LYS 58 -4.213 -9.986 6.408 474 HE2 LYS 58 HE2 LYS 58 -5.808 -9.479 8.189 475 HE3 LYS 58 HE3 LYS 58 -5.009 -11.008 8.549 476 HZ1 LYS 58 HZ1 LYS 58 -3.400 -9.652 9.904 477 HZ2 LYS 58 HZ2 LYS 58 -4.977 -9.765 10.527 478 HZ3 LYS 58 HZ3 LYS 58 -4.471 -8.348 9.738 479 H THR 59 H THR 59 -1.817 -7.004 7.600 480 HA THR 59 HA THR 59 0.450 -7.302 9.468 481 HB THR 59 HB THR 59 0.827 -4.935 9.624 482 HG1 THR 59 HG1 THR 59 -1.186 -4.581 7.664 483 HG21 THR 59 HG21 THR 59 0.552 -5.389 6.660 484 HG22 THR 59 HG22 THR 59 1.768 -6.247 7.614 485 HG23 THR 59 HG23 THR 59 1.795 -4.484 7.525 486 H PHE 60 H PHE 60 0.094 -6.227 11.542 487 HA PHE 60 HA PHE 60 -2.262 -7.145 12.723 488 HB2 PHE 60 HB2 PHE 60 -0.093 -6.812 13.913 489 HB3 PHE 60 HB3 PHE 60 -0.359 -5.072 13.844 490 HD1 PHE 60 HD1 PHE 60 -1.734 -8.274 15.162 491 HD2 PHE 60 HD2 PHE 60 -1.846 -3.985 15.379 492 HE1 PHE 60 HE1 PHE 60 -3.132 -8.415 17.205 493 HE2 PHE 60 HE2 PHE 60 -3.243 -4.125 17.423 494 HZ PHE 60 HZ PHE 60 -3.886 -6.339 18.336 495 H GLN 61 H GLN 61 -1.356 -3.872 11.684 496 HA GLN 61 HA GLN 61 -3.857 -2.772 12.693 497 HB2 GLN 61 HB2 GLN 61 -1.592 -1.471 11.164 498 HB3 GLN 61 HB3 GLN 61 -2.986 -0.620 11.825 499 HG2 GLN 61 HG2 GLN 61 -2.367 -1.461 14.098 500 HG3 GLN 61 HG3 GLN 61 -0.917 -2.179 13.393 501 HE21 GLN 61 HE21 GLN 61 0.813 -0.869 13.982 502 HE22 GLN 61 HE22 GLN 61 0.822 0.833 13.869 503 H THR 62 H THR 62 -2.469 -3.706 9.586 504 HA THR 62 HA THR 62 -5.093 -3.374 8.336 505 HB THR 62 HB THR 62 -4.223 -2.016 6.470 506 HG1 THR 62 HG1 THR 62 -2.156 -2.006 6.262 507 HG21 THR 62 HG21 THR 62 -5.222 -0.976 8.557 508 HG22 THR 62 HG22 THR 62 -4.173 0.083 7.615 509 HG23 THR 62 HG23 THR 62 -3.571 -0.665 9.094 510 H GLU 63 H GLU 63 -4.611 -3.782 5.758 511 HA GLU 63 HA GLU 63 -2.728 -5.907 5.259 512 HB2 GLU 63 HB2 GLU 63 -4.418 -7.549 4.531 513 HB3 GLU 63 HB3 GLU 63 -4.617 -7.157 6.243 514 HG2 GLU 63 HG2 GLU 63 -6.376 -5.464 5.556 515 HG3 GLU 63 HG3 GLU 63 -6.254 -6.111 3.917 516 H ILE 64 H ILE 64 -2.431 -6.248 2.973 517 HA ILE 64 HA ILE 64 -4.023 -4.751 1.081 518 HB ILE 64 HB ILE 64 -2.817 -2.913 1.993 519 HG12 ILE 64 HG12 ILE 64 -3.009 -3.123 -0.587 520 HG13 ILE 64 HG13 ILE 64 -1.886 -1.930 0.038 521 HG21 ILE 64 HG21 ILE 64 -0.304 -2.808 1.990 522 HG22 ILE 64 HG22 ILE 64 -0.294 -4.540 1.668 523 HG23 ILE 64 HG23 ILE 64 -1.009 -3.925 3.159 524 HD11 ILE 64 HD11 ILE 64 -1.331 -3.975 -1.832 525 HD12 ILE 64 HD12 ILE 64 -0.507 -4.484 -0.363 526 HD13 ILE 64 HD13 ILE 64 -0.158 -2.910 -1.070 527 H LYS 65 H LYS 65 -3.773 -5.401 -1.029 528 HA LYS 65 HA LYS 65 -1.665 -7.380 -1.557 529 HB2 LYS 65 HB2 LYS 65 -3.322 -8.235 -3.362 530 HB3 LYS 65 HB3 LYS 65 -3.589 -8.715 -1.695 531 HG2 LYS 65 HG2 LYS 65 -4.939 -6.203 -2.689 532 HG3 LYS 65 HG3 LYS 65 -5.591 -7.754 -3.211 533 HD2 LYS 65 HD2 LYS 65 -5.684 -8.444 -0.783 534 HD3 LYS 65 HD3 LYS 65 -5.253 -6.790 -0.353 535 HE2 LYS 65 HE2 LYS 65 -7.245 -5.952 -1.532 536 HE3 LYS 65 HE3 LYS 65 -7.675 -7.601 -1.985 537 HZ1 LYS 65 HZ1 LYS 65 -7.621 -6.397 0.715 538 HZ2 LYS 65 HZ2 LYS 65 -7.613 -8.081 0.486 539 HZ3 LYS 65 HZ3 LYS 65 -8.919 -7.149 -0.076 540 H CYS 66 H CYS 66 -0.251 -6.833 -3.033 541 HA CYS 66 HA CYS 66 -0.990 -5.052 -5.253 542 HB2 CYS 66 HB2 CYS 66 0.948 -3.612 -4.876 543 HB3 CYS 66 HB3 CYS 66 -0.040 -3.643 -3.427 544 HG CYS 66 HG CYS 66 1.943 -4.467 -2.216 545 H THR 67 H THR 67 1.284 -4.800 -6.630 546 HA THR 67 HA THR 67 1.636 -6.995 -8.142 547 HB THR 67 HB THR 67 3.979 -5.234 -7.384 548 HG1 THR 67 HG1 THR 67 2.546 -3.782 -7.998 549 HG21 THR 67 HG21 THR 67 3.256 -6.657 -9.961 550 HG22 THR 67 HG22 THR 67 4.480 -7.202 -8.815 551 HG23 THR 67 HG23 THR 67 4.699 -5.681 -9.680 552 H GLY 68 H GLY 68 3.385 -6.449 -5.095 553 HA2 GLY 68 HA2 GLY 68 3.970 -8.217 -3.602 554 HA3 GLY 68 HA3 GLY 68 3.988 -9.329 -4.963 555 H ASN 69 H ASN 69 5.604 -7.155 -6.455 556 HA ASN 69 HA ASN 69 8.232 -7.804 -5.253 557 HB2 ASN 69 HB2 ASN 69 7.777 -8.668 -7.579 558 HB3 ASN 69 HB3 ASN 69 7.716 -6.986 -8.115 559 HD21 ASN 69 HD21 ASN 69 9.873 -9.421 -6.632 560 HD22 ASN 69 HD22 ASN 69 11.315 -8.637 -7.062 561 H HIS 70 H HIS 70 6.025 -5.302 -5.631 562 HA HIS 70 HA HIS 70 7.687 -3.069 -6.160 563 HB2 HIS 70 HB2 HIS 70 5.172 -3.219 -6.399 564 HB3 HIS 70 HB3 HIS 70 5.076 -3.125 -4.643 565 HD2 HIS 70 HD2 HIS 70 4.886 -0.526 -3.786 566 HE1 HIS 70 HE1 HIS 70 6.689 1.326 -7.119 567 HE2 HIS 70 HE2 HIS 70 5.546 1.741 -4.888 568 H LEU 71 H LEU 71 8.766 -1.695 -4.755 569 HA LEU 71 HA LEU 71 9.521 -2.733 -2.199 570 HB2 LEU 71 HB2 LEU 71 10.061 -0.095 -3.566 571 HB3 LEU 71 HB3 LEU 71 10.604 -0.435 -1.929 572 HG LEU 71 HG LEU 71 11.672 -2.570 -2.878 573 HD11 LEU 71 HD11 LEU 71 10.961 -1.096 -5.422 574 HD12 LEU 71 HD12 LEU 71 10.645 -2.782 -5.013 575 HD13 LEU 71 HD13 LEU 71 12.288 -2.255 -5.363 576 HD21 LEU 71 HD21 LEU 71 12.915 -0.478 -2.235 577 HD22 LEU 71 HD22 LEU 71 12.750 0.081 -3.900 578 HD23 LEU 71 HD23 LEU 71 13.689 -1.369 -3.546 579 H ILE 72 H ILE 72 8.889 -2.187 -0.207 580 HA ILE 72 HA ILE 72 6.712 -0.223 0.116 581 HB ILE 72 HB ILE 72 6.937 -2.957 1.438 582 HG12 ILE 72 HG12 ILE 72 4.773 -1.921 -0.429 583 HG13 ILE 72 HG13 ILE 72 6.159 -2.843 -1.007 584 HG21 ILE 72 HG21 ILE 72 5.988 -1.277 2.971 585 HG22 ILE 72 HG22 ILE 72 4.734 -2.393 2.434 586 HG23 ILE 72 HG23 ILE 72 4.840 -0.784 1.730 587 HD11 ILE 72 HD11 ILE 72 4.073 -3.778 0.994 588 HD12 ILE 72 HD12 ILE 72 5.522 -4.690 0.570 589 HD13 ILE 72 HD13 ILE 72 4.292 -4.373 -0.653 590 H ARG 73 H ARG 73 7.132 1.298 1.641 591 HA ARG 73 HA ARG 73 9.587 1.467 2.987 592 HB2 ARG 73 HB2 ARG 73 7.932 3.385 2.648 593 HB3 ARG 73 HB3 ARG 73 7.032 2.718 4.009 594 HG2 ARG 73 HG2 ARG 73 8.437 4.301 5.053 595 HG3 ARG 73 HG3 ARG 73 9.313 2.795 5.285 596 HD2 ARG 73 HD2 ARG 73 11.088 3.754 4.291 597 HD3 ARG 73 HD3 ARG 73 10.215 3.780 2.778 598 HE ARG 73 HE ARG 73 9.651 6.056 3.172 599 HH11 ARG 73 HH11 ARG 73 11.486 4.730 5.872 600 HH12 ARG 73 HH12 ARG 73 11.877 6.288 6.515 601 HH21 ARG 73 HH21 ARG 73 10.224 8.060 4.037 602 HH22 ARG 73 HH22 ARG 73 11.168 8.155 5.487 603 H THR 74 H THR 74 10.378 0.649 4.807 604 HA THR 74 HA THR 74 8.600 -0.495 6.826 605 HB THR 74 HB THR 74 9.226 -2.385 5.338 606 HG1 THR 74 HG1 THR 74 9.191 -3.459 7.100 607 HG21 THR 74 HG21 THR 74 11.972 -1.295 5.757 608 HG22 THR 74 HG22 THR 74 11.283 -2.144 4.375 609 HG23 THR 74 HG23 THR 74 11.802 -3.049 5.794 610 H ASP 75 H ASP 75 10.274 -1.405 8.664 611 HA ASP 75 HA ASP 75 11.351 0.865 9.877 612 HB2 ASP 75 HB2 ASP 75 12.481 -0.698 11.424 613 HB3 ASP 75 HB3 ASP 75 10.798 -1.133 11.156 614 H LYS 76 H LYS 76 12.769 -1.319 7.529 615 HA LYS 76 HA LYS 76 15.465 -0.200 7.876 616 HB2 LYS 76 HB2 LYS 76 14.433 -2.414 6.097 617 HB3 LYS 76 HB3 LYS 76 16.113 -1.886 6.166 618 HG2 LYS 76 HG2 LYS 76 16.190 -2.430 8.569 619 HG3 LYS 76 HG3 LYS 76 14.510 -2.969 8.500 620 HD2 LYS 76 HD2 LYS 76 15.138 -4.672 6.810 621 HD3 LYS 76 HD3 LYS 76 16.821 -4.159 6.939 622 HE2 LYS 76 HE2 LYS 76 15.161 -5.222 9.239 623 HE3 LYS 76 HE3 LYS 76 16.339 -6.164 8.326 624 HZ1 LYS 76 HZ1 LYS 76 17.646 -5.436 10.023 625 HZ2 LYS 76 HZ2 LYS 76 16.770 -3.997 10.246 626 HZ3 LYS 76 HZ3 LYS 76 17.865 -4.140 8.954 627 H GLY 77 H GLY 77 12.707 0.636 6.140 628 HA2 GLY 77 HA2 GLY 77 12.803 2.628 4.718 629 HA3 GLY 77 HA3 GLY 77 14.288 1.979 4.024 630 H TRP 78 H TRP 78 13.008 2.342 1.952 631 HA TRP 78 HA TRP 78 10.800 0.602 1.423 632 HB2 TRP 78 HB2 TRP 78 12.342 2.640 -0.097 633 HB3 TRP 78 HB3 TRP 78 11.718 1.322 -1.086 634 HD1 TRP 78 HD1 TRP 78 9.031 0.747 -0.585 635 HE1 TRP 78 HE1 TRP 78 7.074 2.401 -0.310 636 HE3 TRP 78 HE3 TRP 78 11.612 5.007 0.550 637 HZ2 TRP 78 HZ2 TRP 78 6.651 5.136 0.297 638 HZ3 TRP 78 HZ3 TRP 78 10.384 7.130 0.968 639 HH2 TRP 78 HH2 TRP 78 7.899 7.181 0.840 640 H ILE 79 H ILE 79 10.813 -1.445 1.043 641 HA ILE 79 HA ILE 79 13.165 -2.752 -0.177 642 HB ILE 79 HB ILE 79 11.717 -3.776 2.287 643 HG12 ILE 79 HG12 ILE 79 13.136 -1.814 2.829 644 HG13 ILE 79 HG13 ILE 79 13.817 -3.280 3.529 645 HG21 ILE 79 HG21 ILE 79 12.671 -5.493 0.673 646 HG22 ILE 79 HG22 ILE 79 13.278 -5.587 2.324 647 HG23 ILE 79 HG23 ILE 79 14.268 -4.855 1.061 648 HD11 ILE 79 HD11 ILE 79 14.968 -2.903 0.890 649 HD12 ILE 79 HD12 ILE 79 15.775 -2.874 2.454 650 HD13 ILE 79 HD13 ILE 79 15.097 -1.392 1.794 651 H LYS 80 H LYS 80 12.727 -4.491 -1.472 652 HA LYS 80 HA LYS 80 10.365 -4.687 -2.892 653 HB2 LYS 80 HB2 LYS 80 12.447 -6.794 -2.312 654 HB3 LYS 80 HB3 LYS 80 11.146 -7.038 -3.469 655 HG2 LYS 80 HG2 LYS 80 11.890 -5.031 -4.717 656 HG3 LYS 80 HG3 LYS 80 13.208 -4.815 -3.564 657 HD2 LYS 80 HD2 LYS 80 14.114 -7.027 -4.169 658 HD3 LYS 80 HD3 LYS 80 12.798 -7.252 -5.322 659 HE2 LYS 80 HE2 LYS 80 13.546 -5.270 -6.578 660 HE3 LYS 80 HE3 LYS 80 14.859 -5.031 -5.427 661 HZ1 LYS 80 HZ1 LYS 80 15.567 -7.359 -6.013 662 HZ2 LYS 80 HZ2 LYS 80 15.773 -6.194 -7.233 663 HZ3 LYS 80 HZ3 LYS 80 14.474 -7.288 -7.307 664 H ALA 81 H ALA 81 8.417 -5.637 -2.658 665 HA ALA 81 HA ALA 81 7.421 -6.334 -0.134 666 HB1 ALA 81 HB1 ALA 81 6.405 -6.524 -2.927 667 HB2 ALA 81 HB2 ALA 81 5.736 -5.672 -1.540 668 HB3 ALA 81 HB3 ALA 81 5.544 -7.419 -1.674 669 H ALA 82 H ALA 82 8.560 -8.369 -2.788 670 HA ALA 82 HA ALA 82 7.872 -10.889 -1.726 671 HB1 ALA 82 HB1 ALA 82 9.594 -11.787 -3.223 672 HB2 ALA 82 HB2 ALA 82 10.252 -10.168 -3.456 673 HB3 ALA 82 HB3 ALA 82 8.639 -10.558 -4.052 674 H ASN 83 H ASN 83 10.585 -8.737 -1.176 675 HA ASN 83 HA ASN 83 12.204 -10.525 0.347 676 HB2 ASN 83 HB2 ASN 83 12.937 -8.430 -0.890 677 HB3 ASN 83 HB3 ASN 83 12.222 -7.515 0.439 678 HD21 ASN 83 HD21 ASN 83 15.110 -7.860 -0.416 679 HD22 ASN 83 HD22 ASN 83 15.917 -8.379 0.989 680 H ILE 84 H ILE 84 9.589 -8.271 1.137 681 HA ILE 84 HA ILE 84 10.035 -7.974 3.897 682 HB ILE 84 HB ILE 84 7.347 -8.029 2.484 683 HG12 ILE 84 HG12 ILE 84 8.834 -6.364 1.426 684 HG13 ILE 84 HG13 ILE 84 7.586 -5.547 2.342 685 HG21 ILE 84 HG21 ILE 84 8.097 -6.624 5.066 686 HG22 ILE 84 HG22 ILE 84 7.267 -8.177 4.993 687 HG23 ILE 84 HG23 ILE 84 6.493 -6.733 4.341 688 HD11 ILE 84 HD11 ILE 84 10.464 -5.982 3.247 689 HD12 ILE 84 HD12 ILE 84 9.208 -5.226 4.227 690 HD13 ILE 84 HD13 ILE 84 9.755 -4.448 2.742 691 H THR 85 H THR 85 9.514 -9.104 5.665 692 HA THR 85 HA THR 85 8.230 -11.748 5.352 693 HB THR 85 HB THR 85 9.769 -12.614 7.088 694 HG1 THR 85 HG1 THR 85 10.187 -10.596 8.077 695 HG21 THR 85 HG21 THR 85 11.865 -12.564 5.723 696 HG22 THR 85 HG22 THR 85 11.119 -11.337 4.699 697 HG23 THR 85 HG23 THR 85 10.427 -12.957 4.780 698 HA PRO 86 HA PRO 86 5.336 -10.802 8.586 699 HB2 PRO 86 HB2 PRO 86 6.635 -12.864 10.331 700 HB3 PRO 86 HB3 PRO 86 4.912 -12.612 9.977 701 HG2 PRO 86 HG2 PRO 86 6.190 -14.558 8.791 702 HG3 PRO 86 HG3 PRO 86 5.077 -13.543 7.857 703 HD2 PRO 86 HD2 PRO 86 8.067 -13.536 7.858 704 HD3 PRO 86 HD3 PRO 86 6.923 -13.252 6.516 705 H LYS 87 H LYS 87 8.658 -11.272 9.670 706 HA LYS 87 HA LYS 87 8.572 -9.946 12.143 707 HB2 LYS 87 HB2 LYS 87 10.441 -11.405 11.384 708 HB3 LYS 87 HB3 LYS 87 10.928 -10.152 10.245 709 HG2 LYS 87 HG2 LYS 87 11.342 -8.583 12.081 710 HG3 LYS 87 HG3 LYS 87 10.746 -9.756 13.254 711 HD2 LYS 87 HD2 LYS 87 13.136 -9.906 13.334 712 HD3 LYS 87 HD3 LYS 87 12.592 -11.323 12.438 713 HE2 LYS 87 HE2 LYS 87 13.093 -10.209 10.311 714 HE3 LYS 87 HE3 LYS 87 13.559 -8.740 11.168 715 HZ1 LYS 87 HZ1 LYS 87 15.585 -9.711 10.922 716 HZ2 LYS 87 HZ2 LYS 87 14.968 -11.294 10.945 717 HZ3 LYS 87 HZ3 LYS 87 15.137 -10.421 12.394 718 H MET 88 H MET 88 9.137 -8.701 8.871 719 HA MET 88 HA MET 88 10.090 -6.173 9.443 720 HB2 MET 88 HB2 MET 88 8.647 -7.381 7.139 721 HB3 MET 88 HB3 MET 88 8.567 -5.630 7.230 722 HG2 MET 88 HG2 MET 88 10.509 -6.064 5.937 723 HG3 MET 88 HG3 MET 88 11.133 -5.705 7.543 724 HE1 MET 88 HE1 MET 88 13.606 -8.387 6.320 725 HE2 MET 88 HE2 MET 88 13.435 -6.877 7.209 726 HE3 MET 88 HE3 MET 88 12.889 -6.968 5.537 727 H LYS 89 H LYS 89 9.271 -4.169 9.732 728 HA LYS 89 HA LYS 89 6.460 -3.968 10.613 729 HB2 LYS 89 HB2 LYS 89 8.931 -2.583 11.660 730 HB3 LYS 89 HB3 LYS 89 7.296 -2.059 12.036 731 HG2 LYS 89 HG2 LYS 89 6.809 -4.258 13.029 732 HG3 LYS 89 HG3 LYS 89 8.453 -4.790 12.653 733 HD2 LYS 89 HD2 LYS 89 9.402 -3.067 14.079 734 HD3 LYS 89 HD3 LYS 89 7.809 -2.370 14.364 735 HE2 LYS 89 HE2 LYS 89 8.487 -3.731 16.275 736 HE3 LYS 89 HE3 LYS 89 7.105 -4.466 15.474 737 HZ1 LYS 89 HZ1 LYS 89 9.942 -5.238 15.038 738 HZ2 LYS 89 HZ2 LYS 89 8.584 -5.974 14.328 739 HZ3 LYS 89 HZ3 LYS 89 8.841 -6.090 16.004 740 H ILE 90 H ILE 90 5.271 -2.261 9.799 741 HA ILE 90 HA ILE 90 6.679 -0.356 8.014 742 HB ILE 90 HB ILE 90 3.914 -1.549 7.560 743 HG12 ILE 90 HG12 ILE 90 6.430 -1.859 5.878 744 HG13 ILE 90 HG13 ILE 90 5.974 -3.026 7.116 745 HG21 ILE 90 HG21 ILE 90 3.800 0.631 6.656 746 HG22 ILE 90 HG22 ILE 90 4.305 -0.335 5.272 747 HG23 ILE 90 HG23 ILE 90 5.491 0.620 6.161 748 HD11 ILE 90 HD11 ILE 90 4.050 -2.224 4.931 749 HD12 ILE 90 HD12 ILE 90 4.004 -3.657 5.959 750 HD13 ILE 90 HD13 ILE 90 5.225 -3.519 4.693 751 H LEU 91 H LEU 91 6.445 1.708 8.536 752 HA LEU 91 HA LEU 91 4.792 2.472 10.762 753 HB2 LEU 91 HB2 LEU 91 5.602 4.782 10.282 754 HB3 LEU 91 HB3 LEU 91 6.885 3.624 10.573 755 HG LEU 91 HG LEU 91 6.109 3.888 7.680 756 HD11 LEU 91 HD11 LEU 91 7.704 6.139 8.901 757 HD12 LEU 91 HD12 LEU 91 5.967 6.261 8.624 758 HD13 LEU 91 HD13 LEU 91 7.061 6.012 7.263 759 HD21 LEU 91 HD21 LEU 91 8.872 4.204 8.884 760 HD22 LEU 91 HD22 LEU 91 8.424 3.552 7.309 761 HD23 LEU 91 HD23 LEU 91 8.121 2.615 8.769 762 H SER 92 H SER 92 2.760 3.079 10.732 763 HA SER 92 HA SER 92 1.539 3.797 8.149 764 HB2 SER 92 HB2 SER 92 0.320 2.527 10.611 765 HB3 SER 92 HB3 SER 92 -0.599 3.040 9.197 766 HG SER 92 HG SER 92 0.782 0.794 9.600 767 HA PRO 93 HA PRO 93 0.758 7.875 9.972 768 HB2 PRO 93 HB2 PRO 93 -1.076 8.854 8.249 769 HB3 PRO 93 HB3 PRO 93 0.625 8.642 7.781 770 HG2 PRO 93 HG2 PRO 93 -1.711 6.862 7.228 771 HG3 PRO 93 HG3 PRO 93 -0.439 7.411 6.120 772 HD2 PRO 93 HD2 PRO 93 -0.357 4.962 7.261 773 HD3 PRO 93 HD3 PRO 93 1.126 5.894 6.932 774 H GLU 94 H GLU 94 -0.786 8.892 11.282 775 HA GLU 94 HA GLU 94 -3.357 7.483 11.670 776 HB2 GLU 94 HB2 GLU 94 -1.582 8.636 13.835 777 HB3 GLU 94 HB3 GLU 94 -3.171 7.917 14.088 778 HG2 GLU 94 HG2 GLU 94 -2.324 5.771 13.153 779 HG3 GLU 94 HG3 GLU 94 -0.730 6.496 12.974 780 H ILE 95 H ILE 95 -5.074 8.735 11.505 781 HA ILE 95 HA ILE 95 -4.733 11.627 11.280 782 HB ILE 95 HB ILE 95 -7.172 9.889 10.718 783 HG12 ILE 95 HG12 ILE 95 -5.319 11.275 8.741 784 HG13 ILE 95 HG13 ILE 95 -5.096 9.596 9.229 785 HG21 ILE 95 HG21 ILE 95 -7.886 11.999 9.435 786 HG22 ILE 95 HG22 ILE 95 -6.607 12.848 10.303 787 HG23 ILE 95 HG23 ILE 95 -7.944 12.122 11.193 788 HD11 ILE 95 HD11 ILE 95 -6.451 10.016 7.072 789 HD12 ILE 95 HD12 ILE 95 -7.737 10.584 8.136 790 HD13 ILE 95 HD13 ILE 95 -7.161 8.923 8.261 791 H ASP 96 H ASP 96 -5.152 12.960 12.871 792 HA ASP 96 HA ASP 96 -7.320 12.711 14.696 793 HB2 ASP 96 HB2 ASP 96 -5.439 11.022 15.488 794 HB3 ASP 96 HB3 ASP 96 -4.658 12.483 16.089 795 H ALA 97 H ALA 97 -5.846 14.286 16.824 796 HA ALA 97 HA ALA 97 -6.234 16.897 15.834 797 HB1 ALA 97 HB1 ALA 97 -6.040 16.029 18.293 798 HB2 ALA 97 HB2 ALA 97 -5.456 17.647 17.908 799 HB3 ALA 97 HB3 ALA 97 -4.314 16.314 18.073 800 H ALA 98 H ALA 98 -3.381 14.830 16.063 801 HA ALA 98 HA ALA 98 -2.029 16.491 14.071 802 HB1 ALA 98 HB1 ALA 98 -1.197 17.121 16.387 803 HB2 ALA 98 HB2 ALA 98 0.042 16.557 15.266 804 HB3 ALA 98 HB3 ALA 98 -0.571 15.477 16.519 805 H VAL 99 H VAL 99 -0.820 15.289 12.628 806 HA VAL 99 HA VAL 99 -1.430 12.559 12.305 807 HB VAL 99 HB VAL 99 0.335 12.554 10.557 808 HG11 VAL 99 HG11 VAL 99 -1.841 13.384 9.938 809 HG12 VAL 99 HG12 VAL 99 -0.634 14.438 9.201 810 HG13 VAL 99 HG13 VAL 99 -1.497 14.961 10.648 811 HG21 VAL 99 HG21 VAL 99 0.924 15.322 11.674 812 HG22 VAL 99 HG22 VAL 99 1.513 14.751 10.114 813 HG23 VAL 99 HG23 VAL 99 2.036 13.954 11.598 814 H LYS 100 H LYS 100 -0.525 10.719 12.987 815 HA LYS 100 HA LYS 100 2.068 10.850 14.405 816 HB2 LYS 100 HB2 LYS 100 -0.440 9.465 15.361 817 HB3 LYS 100 HB3 LYS 100 1.156 9.222 16.068 818 HG2 LYS 100 HG2 LYS 100 1.307 11.630 16.566 819 HG3 LYS 100 HG3 LYS 100 -0.291 11.876 15.860 820 HD2 LYS 100 HD2 LYS 100 -1.274 10.358 17.534 821 HD3 LYS 100 HD3 LYS 100 0.321 10.110 18.247 822 HE2 LYS 100 HE2 LYS 100 0.478 12.514 18.756 823 HE3 LYS 100 HE3 LYS 100 -1.110 12.774 18.036 824 HZ1 LYS 100 HZ1 LYS 100 -1.838 10.963 19.700 825 HZ2 LYS 100 HZ2 LYS 100 -1.600 12.551 20.257 826 HZ3 LYS 100 HZ3 LYS 100 -0.412 11.365 20.524 827 H THR 101 H THR 101 3.333 8.996 14.362 828 HA THR 101 HA THR 101 2.619 7.068 12.242 829 HB THR 101 HB THR 101 4.611 8.405 11.731 830 HG1 THR 101 HG1 THR 101 6.052 6.621 11.493 831 HG21 THR 101 HG21 THR 101 5.786 7.235 14.269 832 HG22 THR 101 HG22 THR 101 5.279 8.911 14.069 833 HG23 THR 101 HG23 THR 101 6.624 8.277 13.119 834 H ALA 102 H ALA 102 2.510 4.963 12.648 835 HA ALA 102 HA ALA 102 3.651 3.883 15.131 836 HB1 ALA 102 HB1 ALA 102 1.673 2.982 15.937 837 HB2 ALA 102 HB2 ALA 102 0.887 3.030 14.358 838 HB3 ALA 102 HB3 ALA 102 1.104 4.518 15.280 839 H LEU 103 H LEU 103 4.692 2.023 14.775 840 HA LEU 103 HA LEU 103 4.794 0.870 12.164 841 HB2 LEU 103 HB2 LEU 103 5.964 0.046 14.825 842 HB3 LEU 103 HB3 LEU 103 6.243 -0.846 13.336 843 HG LEU 103 HG LEU 103 6.847 2.119 13.604 844 HD11 LEU 103 HD11 LEU 103 8.714 -0.247 13.945 845 HD12 LEU 103 HD12 LEU 103 8.194 0.841 15.232 846 HD13 LEU 103 HD13 LEU 103 9.199 1.448 13.916 847 HD21 LEU 103 HD21 LEU 103 7.686 -0.042 11.635 848 HD22 LEU 103 HD22 LEU 103 8.339 1.595 11.649 849 HD23 LEU 103 HD23 LEU 103 6.635 1.331 11.297 850 H GLN 104 H GLN 104 3.933 -0.990 11.390 851 HA GLN 104 HA GLN 104 2.001 -2.419 13.112 852 HB2 GLN 104 HB2 GLN 104 0.687 -2.904 11.133 853 HB3 GLN 104 HB3 GLN 104 1.015 -1.175 11.134 854 HG2 GLN 104 HG2 GLN 104 3.114 -1.891 9.659 855 HG3 GLN 104 HG3 GLN 104 2.136 -3.318 9.349 856 HE21 GLN 104 HE21 GLN 104 -0.361 -2.557 8.885 857 HE22 GLN 104 HE22 GLN 104 -0.475 -1.327 7.719 858 H ASP 105 H ASP 105 2.032 -4.690 13.090 859 HA ASP 105 HA ASP 105 4.592 -5.833 12.221 860 HB2 ASP 105 HB2 ASP 105 2.465 -6.817 14.128 861 HB3 ASP 105 HB3 ASP 105 3.845 -7.791 13.642 862 H VAL 106 H VAL 106 4.763 -7.080 10.484 863 HA VAL 106 HA VAL 106 2.440 -7.746 8.927 864 HB VAL 106 HB VAL 106 5.338 -8.652 8.621 865 HG11 VAL 106 HG11 VAL 106 3.724 -10.098 7.410 866 HG12 VAL 106 HG12 VAL 106 4.718 -9.160 6.296 867 HG13 VAL 106 HG13 VAL 106 3.054 -8.673 6.615 868 HG21 VAL 106 HG21 VAL 106 4.952 -6.163 8.521 869 HG22 VAL 106 HG22 VAL 106 3.830 -6.432 7.188 870 HG23 VAL 106 HG23 VAL 106 5.537 -6.838 7.001 871 H GLU 107 H GLU 107 1.095 -9.373 9.429 872 HA GLU 107 HA GLU 107 1.795 -11.522 11.189 873 HB2 GLU 107 HB2 GLU 107 -0.530 -10.662 10.980 874 HB3 GLU 107 HB3 GLU 107 -0.583 -11.242 9.314 875 HG2 GLU 107 HG2 GLU 107 -1.673 -12.879 10.778 876 HG3 GLU 107 HG3 GLU 107 -0.183 -13.565 10.135 877 H SER 108 H SER 108 1.322 -11.176 7.690 878 HA SER 108 HA SER 108 3.322 -12.960 6.905 879 HB2 SER 108 HB2 SER 108 1.507 -14.687 5.926 880 HB3 SER 108 HB3 SER 108 2.314 -14.921 7.478 881 HG SER 108 HG SER 108 -0.278 -13.968 6.874 882 H ILE 109 H ILE 109 3.048 -13.643 4.550 883 HA ILE 109 HA ILE 109 1.523 -11.584 3.053 884 HB ILE 109 HB ILE 109 4.158 -12.908 2.272 885 HG12 ILE 109 HG12 ILE 109 3.603 -9.977 2.850 886 HG13 ILE 109 HG13 ILE 109 4.172 -11.080 4.098 887 HG21 ILE 109 HG21 ILE 109 2.508 -10.771 0.862 888 HG22 ILE 109 HG22 ILE 109 2.700 -12.437 0.317 889 HG23 ILE 109 HG23 ILE 109 4.090 -11.352 0.339 890 HD11 ILE 109 HD11 ILE 109 6.002 -9.764 2.928 891 HD12 ILE 109 HD12 ILE 109 5.616 -10.665 1.461 892 HD13 ILE 109 HD13 ILE 109 6.218 -11.514 2.886 893 H GLU 110 H GLU 110 -0.118 -12.442 1.848 894 HA GLU 110 HA GLU 110 0.057 -15.330 1.131 895 HB2 GLU 110 HB2 GLU 110 -2.403 -13.768 1.945 896 HB3 GLU 110 HB3 GLU 110 -2.392 -15.449 1.408 897 HG2 GLU 110 HG2 GLU 110 -0.894 -16.034 3.290 898 HG3 GLU 110 HG3 GLU 110 -0.935 -14.358 3.836 899 H LYS 111 H LYS 111 0.060 -15.739 -0.952 900 HA LYS 111 HA LYS 111 -0.295 -13.761 -2.940 901 HB2 LYS 111 HB2 LYS 111 -0.225 -16.773 -3.113 902 HB3 LYS 111 HB3 LYS 111 -0.259 -15.709 -4.520 903 HG2 LYS 111 HG2 LYS 111 1.808 -14.585 -3.676 904 HG3 LYS 111 HG3 LYS 111 1.870 -15.753 -2.356 905 HD2 LYS 111 HD2 LYS 111 1.840 -16.577 -5.275 906 HD3 LYS 111 HD3 LYS 111 3.329 -16.316 -4.371 907 HE2 LYS 111 HE2 LYS 111 2.599 -18.023 -2.712 908 HE3 LYS 111 HE3 LYS 111 1.157 -18.321 -3.683 909 HZ1 LYS 111 HZ1 LYS 111 3.959 -18.970 -4.266 910 HZ2 LYS 111 HZ2 LYS 111 2.909 -18.643 -5.562 911 HZ3 LYS 111 HZ3 LYS 111 2.567 -19.913 -4.485 912 H LEU 112 H LEU 112 -1.969 -13.171 -4.151 913 HA LEU 112 HA LEU 112 -4.582 -14.465 -3.676 914 HB2 LEU 112 HB2 LEU 112 -3.800 -11.692 -3.611 915 HB3 LEU 112 HB3 LEU 112 -4.897 -11.896 -4.970 916 HG LEU 112 HG LEU 112 -6.456 -13.126 -3.339 917 HD11 LEU 112 HD11 LEU 112 -6.125 -12.605 -0.949 918 HD12 LEU 112 HD12 LEU 112 -4.602 -11.808 -1.338 919 HD13 LEU 112 HD13 LEU 112 -4.774 -13.544 -1.586 920 HD21 LEU 112 HD21 LEU 112 -6.675 -10.713 -4.133 921 HD22 LEU 112 HD22 LEU 112 -5.891 -10.232 -2.629 922 HD23 LEU 112 HD23 LEU 112 -7.445 -11.065 -2.586 923 H GLY 113 H GLY 113 -2.179 -13.688 -6.043 924 HA2 GLY 113 HA2 GLY 113 -1.963 -14.714 -8.136 925 HA3 GLY 113 HA3 GLY 113 -3.650 -15.168 -8.058 926 H VAL 114 H VAL 114 -3.671 -14.450 -10.307 927 HA VAL 114 HA VAL 114 -3.255 -11.711 -10.979 928 HB VAL 114 HB VAL 114 -4.792 -13.870 -12.475 929 HG11 VAL 114 HG11 VAL 114 -4.356 -12.438 -14.472 930 HG12 VAL 114 HG12 VAL 114 -3.698 -11.195 -13.408 931 HG13 VAL 114 HG13 VAL 114 -5.400 -11.644 -13.291 932 HG21 VAL 114 HG21 VAL 114 -1.965 -12.877 -12.947 933 HG22 VAL 114 HG22 VAL 114 -2.749 -14.278 -13.679 934 HG23 VAL 114 HG23 VAL 114 -2.330 -14.297 -11.966 935 H ASN 115 H ASN 115 -4.500 -10.051 -10.609 936 HA ASN 115 HA ASN 115 -7.420 -10.315 -10.454 937 HB2 ASN 115 HB2 ASN 115 -5.633 -9.151 -8.324 938 HB3 ASN 115 HB3 ASN 115 -7.338 -8.747 -8.453 939 HD21 ASN 115 HD21 ASN 115 -6.186 -10.129 -6.171 940 HD22 ASN 115 HD22 ASN 115 -6.858 -11.692 -6.118 941 H HIS 116 H HIS 116 -8.459 -8.111 -10.409 942 HA HIS 116 HA HIS 116 -7.331 -6.428 -12.449 943 HB2 HIS 116 HB2 HIS 116 -9.690 -6.083 -10.578 944 HB3 HIS 116 HB3 HIS 116 -9.246 -4.902 -11.809 945 HD2 HIS 116 HD2 HIS 116 -10.013 -5.580 -14.415 946 HE1 HIS 116 HE1 HIS 116 -11.516 -9.425 -13.535 947 HE2 HIS 116 HE2 HIS 116 -11.296 -7.655 -15.343 948 H VAL 117 H VAL 117 -6.135 -4.603 -12.179 949 HA VAL 117 HA VAL 117 -5.598 -3.697 -9.423 950 HB VAL 117 HB VAL 117 -3.141 -3.245 -10.451 951 HG11 VAL 117 HG11 VAL 117 -4.254 -5.713 -9.140 952 HG12 VAL 117 HG12 VAL 117 -3.242 -4.438 -8.460 953 HG13 VAL 117 HG13 VAL 117 -2.534 -5.634 -9.547 954 HG21 VAL 117 HG21 VAL 117 -3.874 -5.878 -11.783 955 HG22 VAL 117 HG22 VAL 117 -2.384 -4.948 -11.978 956 HG23 VAL 117 HG23 VAL 117 -3.895 -4.351 -12.669 957 H TYR 118 H TYR 118 -5.478 -1.609 -9.033 958 HA TYR 118 HA TYR 118 -5.274 0.308 -11.245 959 HB2 TYR 118 HB2 TYR 118 -7.394 0.592 -9.067 960 HB3 TYR 118 HB3 TYR 118 -7.161 1.603 -10.489 961 HD1 TYR 118 HD1 TYR 118 -8.541 -1.489 -9.237 962 HD2 TYR 118 HD2 TYR 118 -7.697 0.738 -12.748 963 HE1 TYR 118 HE1 TYR 118 -10.080 -2.968 -10.503 964 HE2 TYR 118 HE2 TYR 118 -9.229 -0.717 -14.064 965 HH TYR 118 HH TYR 118 -11.485 -2.681 -12.699 966 H ASP 119 H ASP 119 -4.446 2.347 -10.555 967 HA ASP 119 HA ASP 119 -3.813 2.888 -7.799 968 HB2 ASP 119 HB2 ASP 119 -2.101 1.131 -8.623 969 HB3 ASP 119 HB3 ASP 119 -1.417 2.456 -9.573 970 H ILE 120 H ILE 120 -2.669 4.994 -7.539 971 HA ILE 120 HA ILE 120 -2.809 6.657 -9.984 972 HB ILE 120 HB ILE 120 -3.877 8.482 -8.905 973 HG12 ILE 120 HG12 ILE 120 -2.824 8.572 -6.710 974 HG13 ILE 120 HG13 ILE 120 -4.552 8.465 -6.471 975 HG21 ILE 120 HG21 ILE 120 -5.586 7.082 -9.538 976 HG22 ILE 120 HG22 ILE 120 -5.986 7.365 -7.852 977 HG23 ILE 120 HG23 ILE 120 -5.208 5.856 -8.331 978 HD11 ILE 120 HD11 ILE 120 -3.754 6.891 -4.915 979 HD12 ILE 120 HD12 ILE 120 -2.479 6.325 -5.995 980 HD13 ILE 120 HD13 ILE 120 -4.157 5.880 -6.304 981 H GLU 121 H GLU 121 -1.363 8.268 -10.245 982 HA GLU 121 HA GLU 121 1.149 8.008 -8.825 983 HB2 GLU 121 HB2 GLU 121 0.296 9.597 -11.232 984 HB3 GLU 121 HB3 GLU 121 1.927 9.651 -10.564 985 HG2 GLU 121 HG2 GLU 121 2.172 7.238 -10.907 986 HG3 GLU 121 HG3 GLU 121 0.509 7.124 -11.472 987 H VAL 122 H VAL 122 2.337 9.827 -7.974 988 HA VAL 122 HA VAL 122 0.618 12.054 -7.067 989 HB VAL 122 HB VAL 122 1.793 12.050 -4.899 990 HG11 VAL 122 HG11 VAL 122 0.615 10.134 -3.971 991 HG12 VAL 122 HG12 VAL 122 0.558 9.357 -5.552 992 HG13 VAL 122 HG13 VAL 122 -0.368 10.829 -5.261 993 HG21 VAL 122 HG21 VAL 122 3.885 11.019 -5.288 994 HG22 VAL 122 HG22 VAL 122 3.167 9.654 -6.144 995 HG23 VAL 122 HG23 VAL 122 3.005 9.782 -4.398 996 H GLU 123 H GLU 123 1.774 14.038 -6.481 997 HA GLU 123 HA GLU 123 3.728 14.569 -8.542 998 HB2 GLU 123 HB2 GLU 123 2.331 16.411 -6.615 999 HB3 GLU 123 HB3 GLU 123 3.437 16.951 -7.878 1000 HG2 GLU 123 HG2 GLU 123 2.015 15.811 -9.563 1001 HG3 GLU 123 HG3 GLU 123 0.880 15.379 -8.292 1002 H HIS 124 H HIS 124 3.802 15.684 -5.124 1003 HA HIS 124 HA HIS 124 6.395 16.667 -5.353 1004 HB2 HIS 124 HB2 HIS 124 4.684 17.411 -3.711 1005 HB3 HIS 124 HB3 HIS 124 5.038 15.973 -2.750 1006 HD2 HIS 124 HD2 HIS 124 7.279 16.234 -1.109 1007 HE1 HIS 124 HE1 HIS 124 8.762 19.834 -2.739 1008 HE2 HIS 124 HE2 HIS 124 9.068 18.123 -0.889 1009 H ASN 125 H ASN 125 5.582 13.845 -3.246 1010 HA ASN 125 HA ASN 125 8.453 13.212 -3.209 1011 HB2 ASN 125 HB2 ASN 125 6.980 13.515 -1.099 1012 HB3 ASN 125 HB3 ASN 125 6.456 11.867 -1.428 1013 HD21 ASN 125 HD21 ASN 125 9.660 13.540 -1.613 1014 HD22 ASN 125 HD22 ASN 125 10.474 12.375 -0.686 1015 H HIS 126 H HIS 126 5.865 12.105 -4.975 1016 HA HIS 126 HA HIS 126 5.536 10.257 -6.302 1017 HB2 HIS 126 HB2 HIS 126 8.500 9.852 -5.805 1018 HB3 HIS 126 HB3 HIS 126 7.559 9.042 -7.055 1019 HD2 HIS 126 HD2 HIS 126 9.542 12.274 -6.635 1020 HE1 HIS 126 HE1 HIS 126 7.023 12.900 -9.964 1021 HE2 HIS 126 HE2 HIS 126 9.012 13.813 -8.675 1022 H ASN 127 H ASN 127 4.782 9.870 -3.623 1023 HA ASN 127 HA ASN 127 4.721 6.987 -3.560 1024 HB2 ASN 127 HB2 ASN 127 5.421 6.876 -1.115 1025 HB3 ASN 127 HB3 ASN 127 6.717 7.116 -2.283 1026 HD21 ASN 127 HD21 ASN 127 5.271 8.405 0.551 1027 HD22 ASN 127 HD22 ASN 127 6.096 9.886 0.561 1028 H PHE 128 H PHE 128 3.189 6.111 -2.006 1029 HA PHE 128 HA PHE 128 1.382 7.972 -0.698 1030 HB2 PHE 128 HB2 PHE 128 -0.627 7.247 -1.914 1031 HB3 PHE 128 HB3 PHE 128 0.527 8.005 -3.006 1032 HD1 PHE 128 HD1 PHE 128 -1.032 4.828 -1.976 1033 HD2 PHE 128 HD2 PHE 128 1.738 6.686 -4.684 1034 HE1 PHE 128 HE1 PHE 128 -1.029 2.781 -3.376 1035 HE2 PHE 128 HE2 PHE 128 1.737 4.634 -6.083 1036 HZ PHE 128 HZ PHE 128 0.357 2.685 -5.428 1037 H VAL 129 H VAL 129 -0.420 6.818 0.454 1038 HA VAL 129 HA VAL 129 0.576 4.222 1.476 1039 HB VAL 129 HB VAL 129 -1.238 6.251 2.829 1040 HG11 VAL 129 HG11 VAL 129 -1.648 3.929 3.579 1041 HG12 VAL 129 HG12 VAL 129 -0.902 4.887 4.857 1042 HG13 VAL 129 HG13 VAL 129 0.068 3.741 3.934 1043 HG21 VAL 129 HG21 VAL 129 0.744 6.646 4.303 1044 HG22 VAL 129 HG22 VAL 129 1.071 7.086 2.628 1045 HG23 VAL 129 HG23 VAL 129 1.696 5.572 3.279 1046 H ALA 130 H ALA 130 -0.562 2.454 0.988 1047 HA ALA 130 HA ALA 130 -3.414 2.713 0.266 1048 HB1 ALA 130 HB1 ALA 130 -1.475 0.508 -0.469 1049 HB2 ALA 130 HB2 ALA 130 -1.985 1.812 -1.543 1050 HB3 ALA 130 HB3 ALA 130 -3.161 0.626 -0.976 1051 H ASN 131 H ASN 131 -4.796 1.987 1.761 1052 HA ASN 131 HA ASN 131 -5.592 1.011 3.654 1053 HB2 ASN 131 HB2 ASN 131 -3.998 -1.224 2.419 1054 HB3 ASN 131 HB3 ASN 131 -4.851 -1.468 3.945 1055 HD21 ASN 131 HD21 ASN 131 -5.590 -2.917 1.602 1056 HD22 ASN 131 HD22 ASN 131 -7.116 -2.378 1.089 1057 H GLY 132 H GLY 132 -3.332 2.697 4.041 1058 HA2 GLY 132 HA2 GLY 132 -2.138 3.367 5.916 1059 HA3 GLY 132 HA3 GLY 132 -2.528 1.833 6.682 1060 H LEU 133 H LEU 133 -1.272 1.105 3.673 1061 HA LEU 133 HA LEU 133 1.406 0.625 4.798 1062 HB2 LEU 133 HB2 LEU 133 0.200 -1.386 4.112 1063 HB3 LEU 133 HB3 LEU 133 -0.045 -0.747 2.496 1064 HG LEU 133 HG LEU 133 2.795 -0.897 3.507 1065 HD11 LEU 133 HD11 LEU 133 3.061 -3.190 3.352 1066 HD12 LEU 133 HD12 LEU 133 1.730 -3.402 2.227 1067 HD13 LEU 133 HD13 LEU 133 1.407 -3.161 3.941 1068 HD21 LEU 133 HD21 LEU 133 1.355 -1.140 0.852 1069 HD22 LEU 133 HD22 LEU 133 3.026 -1.680 1.016 1070 HD23 LEU 133 HD23 LEU 133 2.612 0.004 1.326 1071 H LEU 134 H LEU 134 2.934 1.967 4.195 1072 HA LEU 134 HA LEU 134 2.619 3.801 2.015 1073 HB2 LEU 134 HB2 LEU 134 3.672 4.610 4.009 1074 HB3 LEU 134 HB3 LEU 134 4.859 3.314 3.995 1075 HG LEU 134 HG LEU 134 5.852 4.252 1.927 1076 HD11 LEU 134 HD11 LEU 134 3.649 6.311 2.229 1077 HD12 LEU 134 HD12 LEU 134 4.059 5.344 0.809 1078 HD13 LEU 134 HD13 LEU 134 5.122 6.649 1.315 1079 HD21 LEU 134 HD21 LEU 134 6.694 4.984 4.125 1080 HD22 LEU 134 HD22 LEU 134 5.507 6.278 4.150 1081 HD23 LEU 134 HD23 LEU 134 6.804 6.299 2.955 1082 H VAL 135 H VAL 135 3.351 3.735 0.007 1083 HA VAL 135 HA VAL 135 5.348 1.699 -0.744 1084 HB VAL 135 HB VAL 135 4.137 1.323 -2.865 1085 HG11 VAL 135 HG11 VAL 135 3.753 -0.038 -0.734 1086 HG12 VAL 135 HG12 VAL 135 2.496 -0.142 -1.965 1087 HG13 VAL 135 HG13 VAL 135 2.256 0.875 -0.543 1088 HG21 VAL 135 HG21 VAL 135 2.942 3.561 -2.844 1089 HG22 VAL 135 HG22 VAL 135 1.878 2.915 -1.594 1090 HG23 VAL 135 HG23 VAL 135 1.892 2.189 -3.201 1091 H HIS 136 H HIS 136 6.588 2.183 -2.609 1092 HA HIS 136 HA HIS 136 7.092 5.056 -2.985 1093 HB2 HIS 136 HB2 HIS 136 8.972 3.558 -2.323 1094 HB3 HIS 136 HB3 HIS 136 8.736 2.629 -3.776 1095 HD2 HIS 136 HD2 HIS 136 10.228 6.092 -2.670 1096 HE1 HIS 136 HE1 HIS 136 11.001 5.619 -6.793 1097 HE2 HIS 136 HE2 HIS 136 11.471 7.057 -4.753 1098 H ASN 137 H ASN 137 5.908 5.926 -4.644 1099 HA ASN 137 HA ASN 137 6.422 5.235 -7.330 1100 HB2 ASN 137 HB2 ASN 137 4.810 3.341 -6.536 1101 HB3 ASN 137 HB3 ASN 137 3.569 4.588 -6.668 1102 HD21 ASN 137 HD21 ASN 137 2.517 3.780 -8.561 1103 HD22 ASN 137 HD22 ASN 137 3.287 3.691 -10.070 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 2.374 0.682 -5.102 2 H2 GLU 1 HT2 GLU 1 4.024 0.312 -5.259 3 H3 GLU 1 HT3 GLU 1 2.851 -0.869 -5.591 4 HA GLU 1 HA GLU 1 3.198 1.655 -7.108 5 HB2 GLU 1 HB2 GLU 1 5.050 -0.147 -7.252 6 HB3 GLU 1 HB3 GLU 1 3.847 -1.130 -8.085 7 HG2 GLU 1 HG2 GLU 1 4.433 1.702 -8.975 8 HG3 GLU 1 HG3 GLU 1 5.413 0.350 -9.532 9 H ALA 2 H ALA 2 1.681 -1.539 -6.771 10 HA ALA 2 HA ALA 2 -0.636 -0.556 -8.301 11 HB1 ALA 2 HB1 ALA 2 -0.096 -3.426 -8.636 12 HB2 ALA 2 HB2 ALA 2 1.148 -2.386 -9.323 13 HB3 ALA 2 HB3 ALA 2 -0.522 -2.202 -9.832 14 H LEU 3 H LEU 3 -2.610 -1.069 -7.461 15 HA LEU 3 HA LEU 3 -2.684 -2.849 -5.084 16 HB2 LEU 3 HB2 LEU 3 -3.912 -0.136 -5.571 17 HB3 LEU 3 HB3 LEU 3 -4.695 -1.263 -4.470 18 HG LEU 3 HG LEU 3 -3.217 0.299 -3.247 19 HD11 LEU 3 HD11 LEU 3 -1.965 -2.442 -3.184 20 HD12 LEU 3 HD12 LEU 3 -3.536 -2.083 -2.484 21 HD13 LEU 3 HD13 LEU 3 -2.091 -1.281 -1.865 22 HD21 LEU 3 HD21 LEU 3 -1.556 0.374 -5.316 23 HD22 LEU 3 HD22 LEU 3 -0.761 -0.956 -4.477 24 HD23 LEU 3 HD23 LEU 3 -0.936 0.608 -3.684 25 H THR 4 H THR 4 -4.471 -4.247 -4.898 26 HA THR 4 HA THR 4 -5.810 -4.970 -7.319 27 HB THR 4 HB THR 4 -7.158 -6.480 -5.928 28 HG1 THR 4 HG1 THR 4 -7.620 -5.293 -4.159 29 HG21 THR 4 HG21 THR 4 -5.343 -7.730 -4.838 30 HG22 THR 4 HG22 THR 4 -4.284 -6.326 -4.981 31 HG23 THR 4 HG23 THR 4 -4.850 -7.155 -6.432 32 H GLY 5 H GLY 5 -8.153 -4.855 -7.715 33 HA2 GLY 5 HA2 GLY 5 -9.126 -2.252 -7.641 34 HA3 GLY 5 HA3 GLY 5 -10.099 -3.669 -8.016 35 H ASP 6 H ASP 6 -9.910 -5.000 -5.558 36 HA ASP 6 HA ASP 6 -11.928 -3.639 -4.048 37 HB2 ASP 6 HB2 ASP 6 -10.344 -6.151 -3.483 38 HB3 ASP 6 HB3 ASP 6 -11.598 -5.529 -2.409 39 H ALA 7 H ALA 7 -8.482 -3.609 -3.928 40 HA ALA 7 HA ALA 7 -8.031 -3.041 -1.204 41 HB1 ALA 7 HB1 ALA 7 -6.410 -2.089 -3.569 42 HB2 ALA 7 HB2 ALA 7 -6.264 -3.682 -2.827 43 HB3 ALA 7 HB3 ALA 7 -5.863 -2.236 -1.901 44 H LEU 8 H LEU 8 -7.354 -0.992 -0.261 45 HA LEU 8 HA LEU 8 -8.744 1.333 -1.448 46 HB2 LEU 8 HB2 LEU 8 -9.290 2.066 0.869 47 HB3 LEU 8 HB3 LEU 8 -10.139 0.614 0.356 48 HG LEU 8 HG LEU 8 -7.505 0.211 1.788 49 HD11 LEU 8 HD11 LEU 8 -8.330 0.601 3.961 50 HD12 LEU 8 HD12 LEU 8 -9.997 0.758 3.402 51 HD13 LEU 8 HD13 LEU 8 -8.821 2.018 3.035 52 HD21 LEU 8 HD21 LEU 8 -10.219 -1.159 1.959 53 HD22 LEU 8 HD22 LEU 8 -8.745 -1.716 2.748 54 HD23 LEU 8 HD23 LEU 8 -8.855 -1.715 0.987 55 H ILE 9 H ILE 9 -7.857 3.315 -1.222 56 HA ILE 9 HA ILE 9 -5.143 3.511 -0.092 57 HB ILE 9 HB ILE 9 -6.194 4.889 -2.603 58 HG12 ILE 9 HG12 ILE 9 -3.999 2.789 -2.383 59 HG13 ILE 9 HG13 ILE 9 -5.670 2.368 -2.752 60 HG21 ILE 9 HG21 ILE 9 -4.508 6.186 -1.234 61 HG22 ILE 9 HG22 ILE 9 -3.921 5.758 -2.840 62 HG23 ILE 9 HG23 ILE 9 -3.383 4.843 -1.433 63 HD11 ILE 9 HD11 ILE 9 -5.626 3.716 -4.772 64 HD12 ILE 9 HD12 ILE 9 -4.225 2.645 -4.797 65 HD13 ILE 9 HD13 ILE 9 -4.027 4.344 -4.369 66 H LEU 10 H LEU 10 -4.710 5.329 1.131 67 HA LEU 10 HA LEU 10 -6.888 6.733 2.293 68 HB2 LEU 10 HB2 LEU 10 -3.899 7.156 2.392 69 HB3 LEU 10 HB3 LEU 10 -5.030 8.190 3.264 70 HG LEU 10 HG LEU 10 -5.021 5.171 3.559 71 HD11 LEU 10 HD11 LEU 10 -3.622 5.382 5.475 72 HD12 LEU 10 HD12 LEU 10 -3.766 7.139 5.489 73 HD13 LEU 10 HD13 LEU 10 -2.823 6.342 4.230 74 HD21 LEU 10 HD21 LEU 10 -6.091 5.982 5.824 75 HD22 LEU 10 HD22 LEU 10 -7.081 6.041 4.371 76 HD23 LEU 10 HD23 LEU 10 -6.330 7.512 4.986 77 H SER 11 H SER 11 -7.723 8.733 1.934 78 HA SER 11 HA SER 11 -6.527 10.401 -0.152 79 HB2 SER 11 HB2 SER 11 -8.716 10.786 -1.157 80 HB3 SER 11 HB3 SER 11 -8.257 9.090 -1.254 81 HG SER 11 HG SER 11 -10.092 10.354 0.501 82 H ASP 12 H ASP 12 -8.226 12.496 -0.229 83 HA ASP 12 HA ASP 12 -7.513 14.008 1.969 84 HB2 ASP 12 HB2 ASP 12 -9.191 15.654 1.222 85 HB3 ASP 12 HB3 ASP 12 -8.269 15.014 -0.134 86 H ARG 13 H ARG 13 -10.469 12.110 1.467 87 HA ARG 13 HA ARG 13 -11.607 12.980 3.986 88 HB2 ARG 13 HB2 ARG 13 -12.930 12.404 1.892 89 HB3 ARG 13 HB3 ARG 13 -12.613 10.713 2.267 90 HG2 ARG 13 HG2 ARG 13 -13.694 12.435 4.503 91 HG3 ARG 13 HG3 ARG 13 -14.795 12.021 3.197 92 HD2 ARG 13 HD2 ARG 13 -13.170 9.958 4.710 93 HD3 ARG 13 HD3 ARG 13 -14.825 10.392 5.115 94 HE ARG 13 HE ARG 13 -13.937 8.839 2.818 95 HH11 ARG 13 HH11 ARG 13 -16.561 10.682 4.280 96 HH12 ARG 13 HH12 ARG 13 -17.791 9.964 3.293 97 HH21 ARG 13 HH21 ARG 13 -15.598 7.958 1.511 98 HH22 ARG 13 HH22 ARG 13 -17.245 8.433 1.744 99 H GLY 14 H GLY 14 -9.811 10.170 2.802 100 HA2 GLY 14 HA2 GLY 14 -8.533 9.229 4.891 101 HA3 GLY 14 HA3 GLY 14 -10.161 8.795 5.394 102 H TRP 15 H TRP 15 -9.761 6.565 5.377 103 HA TRP 15 HA TRP 15 -8.587 5.107 3.235 104 HB2 TRP 15 HB2 TRP 15 -10.336 4.370 5.572 105 HB3 TRP 15 HB3 TRP 15 -9.961 3.169 4.346 106 HD1 TRP 15 HD1 TRP 15 -7.252 2.733 3.936 107 HE1 TRP 15 HE1 TRP 15 -5.362 2.672 5.682 108 HE3 TRP 15 HE3 TRP 15 -9.496 5.273 7.753 109 HZ2 TRP 15 HZ2 TRP 15 -4.862 3.576 8.347 110 HZ3 TRP 15 HZ3 TRP 15 -8.292 5.656 9.888 111 HH2 TRP 15 HH2 TRP 15 -5.976 4.809 10.187 112 H LEU 16 H LEU 16 -9.400 4.994 1.208 113 HA LEU 16 HA LEU 16 -12.207 4.223 0.896 114 HB2 LEU 16 HB2 LEU 16 -10.978 6.681 -0.350 115 HB3 LEU 16 HB3 LEU 16 -12.365 5.870 -1.076 116 HG LEU 16 HG LEU 16 -12.360 6.691 1.836 117 HD11 LEU 16 HD11 LEU 16 -12.973 8.349 -0.607 118 HD12 LEU 16 HD12 LEU 16 -12.051 8.786 0.826 119 HD13 LEU 16 HD13 LEU 16 -13.804 8.660 0.913 120 HD21 LEU 16 HD21 LEU 16 -14.075 5.016 0.679 121 HD22 LEU 16 HD22 LEU 16 -14.755 6.481 -0.008 122 HD23 LEU 16 HD23 LEU 16 -14.681 6.280 1.742 123 H ARG 17 H ARG 17 -12.732 3.376 -1.270 124 HA ARG 17 HA ARG 17 -10.933 1.404 -2.086 125 HB2 ARG 17 HB2 ARG 17 -13.335 2.601 -3.449 126 HB3 ARG 17 HB3 ARG 17 -12.417 1.288 -4.179 127 HG2 ARG 17 HG2 ARG 17 -13.476 1.110 -1.349 128 HG3 ARG 17 HG3 ARG 17 -14.457 0.639 -2.736 129 HD2 ARG 17 HD2 ARG 17 -12.668 -0.939 -3.442 130 HD3 ARG 17 HD3 ARG 17 -11.743 -0.510 -2.009 131 HE ARG 17 HE ARG 17 -13.180 -1.826 -0.732 132 HH11 ARG 17 HH11 ARG 17 -14.576 -1.364 -3.924 133 HH12 ARG 17 HH12 ARG 17 -15.834 -2.528 -3.674 134 HH21 ARG 17 HH21 ARG 17 -14.839 -3.333 -0.448 135 HH22 ARG 17 HH22 ARG 17 -15.979 -3.635 -1.716 136 H ILE 18 H ILE 18 -9.579 1.113 -3.786 137 HA ILE 18 HA ILE 18 -7.834 3.108 -4.520 138 HB ILE 18 HB ILE 18 -7.147 1.609 -6.439 139 HG12 ILE 18 HG12 ILE 18 -8.262 -0.770 -6.225 140 HG13 ILE 18 HG13 ILE 18 -9.592 0.083 -5.466 141 HG21 ILE 18 HG21 ILE 18 -6.657 -0.381 -4.762 142 HG22 ILE 18 HG22 ILE 18 -7.323 0.732 -3.570 143 HG23 ILE 18 HG23 ILE 18 -5.923 1.199 -4.524 144 HD11 ILE 18 HD11 ILE 18 -10.345 0.873 -7.437 145 HD12 ILE 18 HD12 ILE 18 -9.256 -0.268 -8.206 146 HD13 ILE 18 HD13 ILE 18 -8.748 1.396 -7.972 147 H ASP 19 H ASP 19 -10.936 2.467 -5.964 148 HA ASP 19 HA ASP 19 -10.349 4.435 -8.099 149 HB2 ASP 19 HB2 ASP 19 -10.983 2.185 -8.922 150 HB3 ASP 19 HB3 ASP 19 -12.516 2.317 -8.062 151 H ASP 20 H ASP 20 -11.024 5.129 -5.368 152 HA ASP 20 HA ASP 20 -13.782 6.031 -5.432 153 HB2 ASP 20 HB2 ASP 20 -12.712 5.165 -3.345 154 HB3 ASP 20 HB3 ASP 20 -11.712 6.620 -3.327 155 HA PRO 21 HA PRO 21 -13.072 10.042 -7.338 156 HB2 PRO 21 HB2 PRO 21 -14.901 11.052 -5.200 157 HB3 PRO 21 HB3 PRO 21 -14.928 11.356 -6.953 158 HG2 PRO 21 HG2 PRO 21 -16.638 9.667 -5.932 159 HG3 PRO 21 HG3 PRO 21 -15.789 9.250 -7.434 160 HD2 PRO 21 HD2 PRO 21 -15.293 8.231 -4.656 161 HD3 PRO 21 HD3 PRO 21 -15.226 7.358 -6.209 162 H THR 22 H THR 22 -12.767 9.709 -3.821 163 HA THR 22 HA THR 22 -11.626 12.209 -3.225 164 HB THR 22 HB THR 22 -10.758 11.102 -1.190 165 HG1 THR 22 HG1 THR 22 -10.364 9.068 -2.231 166 HG21 THR 22 HG21 THR 22 -13.587 10.222 -1.751 167 HG22 THR 22 HG22 THR 22 -13.157 11.917 -1.530 168 HG23 THR 22 HG23 THR 22 -12.888 10.767 -0.227 169 H LEU 23 H LEU 23 -10.042 9.153 -4.234 170 HA LEU 23 HA LEU 23 -7.470 10.560 -4.230 171 HB2 LEU 23 HB2 LEU 23 -6.391 8.452 -4.653 172 HB3 LEU 23 HB3 LEU 23 -7.538 8.261 -3.337 173 HG LEU 23 HG LEU 23 -9.169 7.567 -5.412 174 HD11 LEU 23 HD11 LEU 23 -8.049 6.365 -7.132 175 HD12 LEU 23 HD12 LEU 23 -6.501 6.454 -6.299 176 HD13 LEU 23 HD13 LEU 23 -7.192 7.899 -7.022 177 HD21 LEU 23 HD21 LEU 23 -7.192 5.544 -4.333 178 HD22 LEU 23 HD22 LEU 23 -8.890 5.320 -4.739 179 HD23 LEU 23 HD23 LEU 23 -8.448 6.251 -3.314 180 H GLN 24 H GLN 24 -10.004 9.847 -6.441 181 HA GLN 24 HA GLN 24 -8.511 9.712 -8.848 182 HB2 GLN 24 HB2 GLN 24 -11.349 10.630 -8.352 183 HB3 GLN 24 HB3 GLN 24 -10.648 10.417 -9.951 184 HG2 GLN 24 HG2 GLN 24 -10.931 8.252 -7.860 185 HG3 GLN 24 HG3 GLN 24 -11.973 8.448 -9.260 186 HE21 GLN 24 HE21 GLN 24 -9.932 6.303 -8.339 187 HE22 GLN 24 HE22 GLN 24 -8.996 6.029 -9.724 188 H GLU 25 H GLU 25 -9.884 12.462 -6.997 189 HA GLU 25 HA GLU 25 -8.343 14.281 -8.762 190 HB2 GLU 25 HB2 GLU 25 -11.131 14.791 -7.722 191 HB3 GLU 25 HB3 GLU 25 -10.156 15.929 -8.650 192 HG2 GLU 25 HG2 GLU 25 -11.458 14.953 -10.332 193 HG3 GLU 25 HG3 GLU 25 -10.009 13.960 -10.402 194 H CYS 26 H CYS 26 -9.047 13.456 -5.442 195 HA CYS 26 HA CYS 26 -7.978 16.074 -4.581 196 HB2 CYS 26 HB2 CYS 26 -9.597 14.126 -2.914 197 HB3 CYS 26 HB3 CYS 26 -8.939 15.665 -2.380 198 HG CYS 26 HG CYS 26 -10.852 16.806 -3.436 199 H ARG 27 H ARG 27 -6.811 16.011 -2.509 200 HA ARG 27 HA ARG 27 -4.338 14.795 -2.936 201 HB2 ARG 27 HB2 ARG 27 -5.535 16.125 -0.515 202 HB3 ARG 27 HB3 ARG 27 -3.848 15.622 -0.607 203 HG2 ARG 27 HG2 ARG 27 -3.626 16.992 -2.709 204 HG3 ARG 27 HG3 ARG 27 -5.252 17.611 -2.411 205 HD2 ARG 27 HD2 ARG 27 -2.992 17.800 -0.411 206 HD3 ARG 27 HD3 ARG 27 -3.418 19.093 -1.526 207 HE ARG 27 HE ARG 27 -4.982 18.189 0.787 208 HH11 ARG 27 HH11 ARG 27 -4.893 20.203 -2.099 209 HH12 ARG 27 HH12 ARG 27 -6.196 21.212 -1.572 210 HH21 ARG 27 HH21 ARG 27 -6.660 19.550 1.440 211 HH22 ARG 27 HH22 ARG 27 -7.192 20.843 0.416 212 H VAL 28 H VAL 28 -3.192 13.186 -1.881 213 HA VAL 28 HA VAL 28 -4.713 11.341 -0.151 214 HB VAL 28 HB VAL 28 -3.592 9.414 -1.253 215 HG11 VAL 28 HG11 VAL 28 -4.848 9.678 -3.495 216 HG12 VAL 28 HG12 VAL 28 -5.325 11.265 -2.896 217 HG13 VAL 28 HG13 VAL 28 -5.795 9.811 -2.016 218 HG21 VAL 28 HG21 VAL 28 -2.341 9.693 -3.294 219 HG22 VAL 28 HG22 VAL 28 -1.658 10.842 -2.142 220 HG23 VAL 28 HG23 VAL 28 -2.766 11.401 -3.396 221 H LEU 29 H LEU 29 -3.348 9.912 1.198 222 HA LEU 29 HA LEU 29 -1.278 11.466 2.446 223 HB2 LEU 29 HB2 LEU 29 -2.725 8.945 3.084 224 HB3 LEU 29 HB3 LEU 29 -1.090 9.051 3.728 225 HG LEU 29 HG LEU 29 -3.129 11.272 4.099 226 HD11 LEU 29 HD11 LEU 29 -4.130 9.400 5.200 227 HD12 LEU 29 HD12 LEU 29 -3.280 10.280 6.469 228 HD13 LEU 29 HD13 LEU 29 -2.570 8.820 5.784 229 HD21 LEU 29 HD21 LEU 29 -0.512 10.519 5.456 230 HD22 LEU 29 HD22 LEU 29 -1.573 11.814 6.010 231 HD23 LEU 29 HD23 LEU 29 -0.795 11.926 4.432 232 H SER 30 H SER 30 0.823 11.315 2.405 233 HA SER 30 HA SER 30 2.222 9.017 1.306 234 HB2 SER 30 HB2 SER 30 1.743 10.255 -0.739 235 HB3 SER 30 HB3 SER 30 2.348 11.738 -0.013 236 HG SER 30 HG SER 30 3.861 9.350 -0.350 237 H TYR 31 H TYR 31 4.545 9.117 1.750 238 HA TYR 31 HA TYR 31 5.080 10.817 4.069 239 HB2 TYR 31 HB2 TYR 31 5.482 8.291 4.132 240 HB3 TYR 31 HB3 TYR 31 6.795 8.580 2.987 241 HD1 TYR 31 HD1 TYR 31 5.639 9.087 6.443 242 HD2 TYR 31 HD2 TYR 31 8.794 9.834 3.626 243 HE1 TYR 31 HE1 TYR 31 7.138 9.764 8.299 244 HE2 TYR 31 HE2 TYR 31 10.293 10.507 5.481 245 HH TYR 31 HH TYR 31 9.819 9.778 8.581 246 H ASN 32 H ASN 32 6.101 12.659 3.709 247 HA ASN 32 HA ASN 32 7.515 13.048 1.216 248 HB2 ASN 32 HB2 ASN 32 6.488 14.802 3.388 249 HB3 ASN 32 HB3 ASN 32 7.894 15.380 2.496 250 HD21 ASN 32 HD21 ASN 32 7.393 16.502 0.622 251 HD22 ASN 32 HD22 ASN 32 5.952 16.328 -0.264 252 H GLU 33 H GLU 33 9.314 11.911 1.252 253 HA GLU 33 HA GLU 33 11.069 11.536 3.409 254 HB2 GLU 33 HB2 GLU 33 11.549 11.482 0.428 255 HB3 GLU 33 HB3 GLU 33 12.766 11.008 1.613 256 HG2 GLU 33 HG2 GLU 33 11.244 9.309 2.518 257 HG3 GLU 33 HG3 GLU 33 10.004 9.785 1.360 258 H SER 34 H SER 34 10.899 14.100 0.998 259 HA SER 34 HA SER 34 13.367 15.353 1.463 260 HB2 SER 34 HB2 SER 34 11.950 15.894 -0.465 261 HB3 SER 34 HB3 SER 34 10.738 16.581 0.612 262 HG SER 34 HG SER 34 12.964 17.705 -0.389 263 H THR 35 H THR 35 10.185 15.889 2.990 264 HA THR 35 HA THR 35 11.391 17.788 4.891 265 HB THR 35 HB THR 35 9.068 18.252 5.590 266 HG1 THR 35 HG1 THR 35 8.216 16.192 5.135 267 HG21 THR 35 HG21 THR 35 9.273 18.302 2.576 268 HG22 THR 35 HG22 THR 35 10.206 19.384 3.610 269 HG23 THR 35 HG23 THR 35 8.444 19.452 3.625 270 H GLN 36 H GLN 36 10.781 14.478 4.771 271 HA GLN 36 HA GLN 36 10.755 12.789 6.290 272 HB2 GLN 36 HB2 GLN 36 12.063 14.906 8.021 273 HB3 GLN 36 HB3 GLN 36 11.991 13.191 8.422 274 HG2 GLN 36 HG2 GLN 36 13.188 12.658 6.323 275 HG3 GLN 36 HG3 GLN 36 13.290 14.378 5.952 276 HE21 GLN 36 HE21 GLN 36 15.348 15.136 6.428 277 HE22 GLN 36 HE22 GLN 36 16.274 14.664 7.770 278 H GLN 37 H GLN 37 8.379 14.379 6.054 279 HA GLN 37 HA GLN 37 7.111 13.732 8.620 280 HB2 GLN 37 HB2 GLN 37 6.925 16.439 7.284 281 HB3 GLN 37 HB3 GLN 37 5.878 15.899 8.599 282 HG2 GLN 37 HG2 GLN 37 7.840 15.568 10.043 283 HG3 GLN 37 HG3 GLN 37 8.902 16.085 8.734 284 HE21 GLN 37 HE21 GLN 37 9.667 18.071 9.584 285 HE22 GLN 37 HE22 GLN 37 8.648 19.364 10.003 286 H TRP 38 H TRP 38 4.736 13.657 8.478 287 HA TRP 38 HA TRP 38 3.847 12.440 6.016 288 HB2 TRP 38 HB2 TRP 38 2.456 13.146 8.598 289 HB3 TRP 38 HB3 TRP 38 1.581 12.497 7.215 290 HD1 TRP 38 HD1 TRP 38 3.387 11.430 10.209 291 HE1 TRP 38 HE1 TRP 38 3.915 8.911 10.108 292 HE3 TRP 38 HE3 TRP 38 2.445 10.529 5.274 293 HZ2 TRP 38 HZ2 TRP 38 3.949 6.800 8.187 294 HZ3 TRP 38 HZ3 TRP 38 2.741 8.256 4.332 295 HH2 TRP 38 HH2 TRP 38 3.494 6.389 5.782 296 H GLU 39 H GLU 39 2.842 13.374 4.355 297 HA GLU 39 HA GLU 39 1.516 15.958 4.721 298 HB2 GLU 39 HB2 GLU 39 3.748 15.464 2.756 299 HB3 GLU 39 HB3 GLU 39 2.659 16.848 2.674 300 HG2 GLU 39 HG2 GLU 39 3.359 17.559 4.923 301 HG3 GLU 39 HG3 GLU 39 4.404 16.153 5.065 302 H TRP 40 H TRP 40 0.071 16.523 3.038 303 HA TRP 40 HA TRP 40 -1.000 14.200 1.610 304 HB2 TRP 40 HB2 TRP 40 -2.129 16.757 2.624 305 HB3 TRP 40 HB3 TRP 40 -2.729 16.290 1.039 306 HD1 TRP 40 HD1 TRP 40 -4.061 13.981 0.856 307 HE1 TRP 40 HE1 TRP 40 -5.340 12.601 2.613 308 HE3 TRP 40 HE3 TRP 40 -2.200 16.055 5.137 309 HZ2 TRP 40 HZ2 TRP 40 -5.558 12.401 5.444 310 HZ3 TRP 40 HZ3 TRP 40 -2.964 15.248 7.356 311 HH2 TRP 40 HH2 TRP 40 -4.641 13.423 7.514 312 H GLN 41 H GLN 41 -0.648 13.880 -0.444 313 HA GLN 41 HA GLN 41 0.524 16.050 -2.067 314 HB2 GLN 41 HB2 GLN 41 0.811 13.050 -2.217 315 HB3 GLN 41 HB3 GLN 41 1.408 14.152 -3.458 316 HG2 GLN 41 HG2 GLN 41 2.816 15.299 -1.816 317 HG3 GLN 41 HG3 GLN 41 2.166 14.299 -0.522 318 HE21 GLN 41 HE21 GLN 41 4.191 13.303 0.022 319 HE22 GLN 41 HE22 GLN 41 4.984 12.236 -1.027 320 H GLN 42 H GLN 42 -0.061 16.123 -4.355 321 HA GLN 42 HA GLN 42 -2.897 15.679 -4.628 322 HB2 GLN 42 HB2 GLN 42 -0.942 17.469 -5.810 323 HB3 GLN 42 HB3 GLN 42 -1.869 16.691 -7.091 324 HG2 GLN 42 HG2 GLN 42 -3.265 17.904 -4.701 325 HG3 GLN 42 HG3 GLN 42 -2.782 18.909 -6.066 326 HE21 GLN 42 HE21 GLN 42 -4.636 15.891 -5.352 327 HE22 GLN 42 HE22 GLN 42 -5.721 16.087 -6.632 328 H VAL 43 H VAL 43 -3.923 14.348 -5.968 329 HA VAL 43 HA VAL 43 -2.501 12.011 -6.849 330 HB VAL 43 HB VAL 43 -4.720 11.185 -7.524 331 HG11 VAL 43 HG11 VAL 43 -4.287 12.332 -4.784 332 HG12 VAL 43 HG12 VAL 43 -4.223 10.659 -5.326 333 HG13 VAL 43 HG13 VAL 43 -5.775 11.466 -5.153 334 HG21 VAL 43 HG21 VAL 43 -5.541 14.023 -6.877 335 HG22 VAL 43 HG22 VAL 43 -6.703 12.697 -6.786 336 HG23 VAL 43 HG23 VAL 43 -5.897 13.065 -8.311 337 H LEU 44 H LEU 44 -1.296 12.261 -8.478 338 HA LEU 44 HA LEU 44 -1.375 14.065 -10.540 339 HB2 LEU 44 HB2 LEU 44 0.404 12.321 -9.644 340 HB3 LEU 44 HB3 LEU 44 -0.225 11.342 -10.959 341 HG LEU 44 HG LEU 44 0.200 13.358 -12.487 342 HD11 LEU 44 HD11 LEU 44 0.402 15.091 -10.842 343 HD12 LEU 44 HD12 LEU 44 2.012 14.878 -11.538 344 HD13 LEU 44 HD13 LEU 44 1.627 14.187 -9.952 345 HD21 LEU 44 HD21 LEU 44 2.639 12.202 -11.106 346 HD22 LEU 44 HD22 LEU 44 2.535 12.767 -12.775 347 HD23 LEU 44 HD23 LEU 44 1.675 11.306 -12.280 348 H ARG 45 H ARG 45 -2.172 10.555 -10.833 349 HA ARG 45 HA ARG 45 -4.407 10.991 -12.539 350 HB2 ARG 45 HB2 ARG 45 -3.453 10.242 -14.677 351 HB3 ARG 45 HB3 ARG 45 -2.616 11.686 -14.091 352 HG2 ARG 45 HG2 ARG 45 -0.800 10.286 -13.196 353 HG3 ARG 45 HG3 ARG 45 -1.615 8.840 -13.784 354 HD2 ARG 45 HD2 ARG 45 -0.691 11.134 -15.538 355 HD3 ARG 45 HD3 ARG 45 0.172 9.614 -15.335 356 HE ARG 45 HE ARG 45 -2.417 8.942 -16.132 357 HH11 ARG 45 HH11 ARG 45 0.284 10.745 -17.482 358 HH12 ARG 45 HH12 ARG 45 -0.145 10.396 -19.123 359 HH21 ARG 45 HH21 ARG 45 -2.943 8.516 -18.296 360 HH22 ARG 45 HH22 ARG 45 -1.959 9.143 -19.577 361 H TRP 46 H TRP 46 -5.523 9.091 -13.030 362 HA TRP 46 HA TRP 46 -4.735 6.802 -11.379 363 HB2 TRP 46 HB2 TRP 46 -6.985 7.874 -11.155 364 HB3 TRP 46 HB3 TRP 46 -7.354 7.327 -12.789 365 HD1 TRP 46 HD1 TRP 46 -5.998 5.673 -9.542 366 HE1 TRP 46 HE1 TRP 46 -7.187 3.401 -9.259 367 HE3 TRP 46 HE3 TRP 46 -8.912 5.672 -13.736 368 HZ2 TRP 46 HZ2 TRP 46 -9.110 1.799 -10.635 369 HZ3 TRP 46 HZ3 TRP 46 -10.415 3.760 -14.224 370 HH2 TRP 46 HH2 TRP 46 -10.516 1.825 -12.677 371 H LEU 47 H LEU 47 -3.750 5.120 -12.246 372 HA LEU 47 HA LEU 47 -4.110 4.529 -15.120 373 HB2 LEU 47 HB2 LEU 47 -1.880 3.704 -13.251 374 HB3 LEU 47 HB3 LEU 47 -2.001 3.293 -14.959 375 HG LEU 47 HG LEU 47 -2.134 5.886 -15.332 376 HD11 LEU 47 HD11 LEU 47 -2.348 6.813 -13.186 377 HD12 LEU 47 HD12 LEU 47 -0.623 6.995 -13.464 378 HD13 LEU 47 HD13 LEU 47 -1.217 5.675 -12.459 379 HD21 LEU 47 HD21 LEU 47 0.412 5.998 -15.218 380 HD22 LEU 47 HD22 LEU 47 -0.233 4.611 -16.101 381 HD23 LEU 47 HD23 LEU 47 0.360 4.408 -14.451 382 H ASP 48 H ASP 48 -5.007 2.661 -15.735 383 HA ASP 48 HA ASP 48 -5.730 0.666 -13.694 384 HB2 ASP 48 HB2 ASP 48 -7.123 -0.321 -15.551 385 HB3 ASP 48 HB3 ASP 48 -7.597 1.307 -15.074 386 H GLN 49 H GLN 49 -4.332 -0.992 -13.398 387 HA GLN 49 HA GLN 49 -2.395 -1.648 -15.484 388 HB2 GLN 49 HB2 GLN 49 -2.723 -2.777 -12.701 389 HB3 GLN 49 HB3 GLN 49 -1.444 -3.206 -13.835 390 HG2 GLN 49 HG2 GLN 49 -0.420 -1.545 -12.534 391 HG3 GLN 49 HG3 GLN 49 -0.994 -0.619 -13.918 392 HE21 GLN 49 HE21 GLN 49 -1.465 1.372 -12.868 393 HE22 GLN 49 HE22 GLN 49 -2.605 1.502 -11.611 394 H GLY 50 H GLY 50 -5.523 -2.658 -14.843 395 HA2 GLY 50 HA2 GLY 50 -6.791 -4.434 -15.564 396 HA3 GLY 50 HA3 GLY 50 -5.511 -4.736 -16.737 397 H VAL 51 H VAL 51 -4.956 -6.804 -16.627 398 HA VAL 51 HA VAL 51 -5.152 -8.320 -14.181 399 HB VAL 51 HB VAL 51 -4.330 -10.221 -15.529 400 HG11 VAL 51 HG11 VAL 51 -6.543 -8.509 -16.665 401 HG12 VAL 51 HG12 VAL 51 -6.683 -9.879 -15.562 402 HG13 VAL 51 HG13 VAL 51 -6.218 -10.145 -17.241 403 HG21 VAL 51 HG21 VAL 51 -2.775 -9.195 -17.054 404 HG22 VAL 51 HG22 VAL 51 -3.994 -8.075 -17.658 405 HG23 VAL 51 HG23 VAL 51 -4.107 -9.789 -18.041 406 H ARG 52 H ARG 52 -3.703 -8.380 -12.645 407 HA ARG 52 HA ARG 52 -0.862 -8.615 -13.219 408 HB2 ARG 52 HB2 ARG 52 -1.208 -6.139 -13.138 409 HB3 ARG 52 HB3 ARG 52 -1.870 -6.309 -11.513 410 HG2 ARG 52 HG2 ARG 52 0.302 -7.351 -10.792 411 HG3 ARG 52 HG3 ARG 52 0.975 -6.989 -12.382 412 HD2 ARG 52 HD2 ARG 52 -0.216 -4.911 -10.527 413 HD3 ARG 52 HD3 ARG 52 1.498 -5.253 -10.620 414 HE ARG 52 HE ARG 52 -0.147 -3.948 -12.685 415 HH11 ARG 52 HH11 ARG 52 3.051 -5.037 -11.686 416 HH12 ARG 52 HH12 ARG 52 3.863 -4.102 -12.891 417 HH21 ARG 52 HH21 ARG 52 0.981 -2.728 -14.226 418 HH22 ARG 52 HH22 ARG 52 2.708 -2.808 -14.314 419 H GLU 53 H GLU 53 0.277 -9.552 -11.538 420 HA GLU 53 HA GLU 53 -1.265 -11.084 -9.643 421 HB2 GLU 53 HB2 GLU 53 1.672 -10.878 -10.261 422 HB3 GLU 53 HB3 GLU 53 1.128 -11.704 -8.804 423 HG2 GLU 53 HG2 GLU 53 1.292 -13.402 -10.459 424 HG3 GLU 53 HG3 GLU 53 -0.426 -13.050 -10.298 425 H THR 54 H THR 54 -1.123 -11.029 -7.363 426 HA THR 54 HA THR 54 0.157 -8.647 -6.213 427 HB THR 54 HB THR 54 -2.152 -7.924 -6.809 428 HG1 THR 54 HG1 THR 54 -1.700 -6.720 -5.172 429 HG21 THR 54 HG21 THR 54 -2.883 -10.419 -5.439 430 HG22 THR 54 HG22 THR 54 -3.858 -9.375 -6.470 431 HG23 THR 54 HG23 THR 54 -3.697 -9.011 -4.752 432 H TRP 55 H TRP 55 0.391 -8.645 -3.960 433 HA TRP 55 HA TRP 55 0.125 -11.275 -2.655 434 HB2 TRP 55 HB2 TRP 55 2.437 -9.337 -2.644 435 HB3 TRP 55 HB3 TRP 55 2.245 -10.569 -1.402 436 HD1 TRP 55 HD1 TRP 55 3.104 -12.889 -1.957 437 HE1 TRP 55 HE1 TRP 55 4.004 -14.035 -4.067 438 HE3 TRP 55 HE3 TRP 55 2.054 -9.308 -5.434 439 HZ2 TRP 55 HZ2 TRP 55 4.234 -13.531 -6.873 440 HZ3 TRP 55 HZ3 TRP 55 2.616 -9.668 -7.822 441 HH2 TRP 55 HH2 TRP 55 3.705 -11.776 -8.545 442 H LYS 56 H LYS 56 -1.122 -11.200 -0.881 443 HA LYS 56 HA LYS 56 -1.960 -8.648 0.217 444 HB2 LYS 56 HB2 LYS 56 -3.653 -10.423 -0.073 445 HB3 LYS 56 HB3 LYS 56 -2.748 -11.477 1.007 446 HG2 LYS 56 HG2 LYS 56 -3.109 -9.882 2.878 447 HG3 LYS 56 HG3 LYS 56 -3.986 -8.802 1.795 448 HD2 LYS 56 HD2 LYS 56 -5.666 -10.560 1.393 449 HD3 LYS 56 HD3 LYS 56 -4.787 -11.645 2.474 450 HE2 LYS 56 HE2 LYS 56 -5.108 -10.066 4.335 451 HE3 LYS 56 HE3 LYS 56 -5.984 -8.974 3.264 452 HZ1 LYS 56 HZ1 LYS 56 -6.789 -11.772 3.846 453 HZ2 LYS 56 HZ2 LYS 56 -7.657 -10.638 2.925 454 HZ3 LYS 56 HZ3 LYS 56 -7.452 -10.404 4.596 455 H ILE 57 H ILE 57 -0.300 -7.771 1.239 456 HA ILE 57 HA ILE 57 1.246 -9.197 3.232 457 HB ILE 57 HB ILE 57 1.196 -6.224 2.556 458 HG12 ILE 57 HG12 ILE 57 3.261 -8.307 1.737 459 HG13 ILE 57 HG13 ILE 57 1.897 -7.889 0.708 460 HG21 ILE 57 HG21 ILE 57 2.143 -6.483 4.744 461 HG22 ILE 57 HG22 ILE 57 3.519 -6.371 3.648 462 HG23 ILE 57 HG23 ILE 57 3.017 -7.941 4.273 463 HD11 ILE 57 HD11 ILE 57 3.866 -5.861 1.780 464 HD12 ILE 57 HD12 ILE 57 2.620 -5.608 0.553 465 HD13 ILE 57 HD13 ILE 57 4.012 -6.635 0.200 466 H LYS 58 H LYS 58 -0.004 -9.822 4.848 467 HA LYS 58 HA LYS 58 -2.018 -8.116 6.019 468 HB2 LYS 58 HB2 LYS 58 -2.033 -10.719 5.608 469 HB3 LYS 58 HB3 LYS 58 -1.176 -10.781 7.134 470 HG2 LYS 58 HG2 LYS 58 -3.835 -9.339 6.752 471 HG3 LYS 58 HG3 LYS 58 -3.700 -10.994 7.339 472 HD2 LYS 58 HD2 LYS 58 -2.051 -9.894 9.127 473 HD3 LYS 58 HD3 LYS 58 -2.925 -8.424 8.702 474 HE2 LYS 58 HE2 LYS 58 -3.987 -9.496 10.632 475 HE3 LYS 58 HE3 LYS 58 -5.066 -9.548 9.239 476 HZ1 LYS 58 HZ1 LYS 58 -3.229 -11.792 9.680 477 HZ2 LYS 58 HZ2 LYS 58 -4.770 -11.777 8.965 478 HZ3 LYS 58 HZ3 LYS 58 -4.613 -11.679 10.654 479 H THR 59 H THR 59 -1.724 -6.849 7.735 480 HA THR 59 HA THR 59 0.592 -7.318 9.523 481 HB THR 59 HB THR 59 0.934 -4.935 9.769 482 HG1 THR 59 HG1 THR 59 -0.707 -3.716 9.439 483 HG21 THR 59 HG21 THR 59 1.868 -4.429 7.676 484 HG22 THR 59 HG22 THR 59 0.592 -5.276 6.799 485 HG23 THR 59 HG23 THR 59 1.821 -6.194 7.674 486 H PHE 60 H PHE 60 0.327 -6.260 11.658 487 HA PHE 60 HA PHE 60 -1.918 -7.276 12.954 488 HB2 PHE 60 HB2 PHE 60 0.247 -6.877 14.076 489 HB3 PHE 60 HB3 PHE 60 -0.003 -5.139 13.943 490 HD1 PHE 60 HD1 PHE 60 -1.404 -8.263 15.431 491 HD2 PHE 60 HD2 PHE 60 -1.348 -3.969 15.531 492 HE1 PHE 60 HE1 PHE 60 -2.705 -8.295 17.543 493 HE2 PHE 60 HE2 PHE 60 -2.647 -4.001 17.643 494 HZ PHE 60 HZ PHE 60 -3.326 -6.164 18.649 495 H GLN 61 H GLN 61 -1.203 -3.914 12.005 496 HA GLN 61 HA GLN 61 -3.743 -2.997 13.090 497 HB2 GLN 61 HB2 GLN 61 -1.581 -1.499 11.593 498 HB3 GLN 61 HB3 GLN 61 -2.993 -0.765 12.350 499 HG2 GLN 61 HG2 GLN 61 -2.257 -1.733 14.543 500 HG3 GLN 61 HG3 GLN 61 -0.788 -2.304 13.746 501 HE21 GLN 61 HE21 GLN 61 0.887 -0.923 14.305 502 HE22 GLN 61 HE22 GLN 61 0.776 0.776 14.340 503 H THR 62 H THR 62 -2.413 -3.796 9.932 504 HA THR 62 HA THR 62 -5.061 -3.426 8.740 505 HB THR 62 HB THR 62 -4.234 -2.023 6.895 506 HG1 THR 62 HG1 THR 62 -2.185 -1.378 6.807 507 HG21 THR 62 HG21 THR 62 -5.181 -0.996 8.992 508 HG22 THR 62 HG22 THR 62 -4.076 0.059 8.110 509 HG23 THR 62 HG23 THR 62 -3.527 -0.774 9.563 510 H GLU 63 H GLU 63 -4.658 -3.792 6.160 511 HA GLU 63 HA GLU 63 -2.740 -5.839 5.521 512 HB2 GLU 63 HB2 GLU 63 -4.407 -7.539 4.828 513 HB3 GLU 63 HB3 GLU 63 -4.499 -7.234 6.563 514 HG2 GLU 63 HG2 GLU 63 -6.369 -5.574 6.043 515 HG3 GLU 63 HG3 GLU 63 -6.361 -6.224 4.402 516 H ILE 64 H ILE 64 -2.443 -6.004 3.229 517 HA ILE 64 HA ILE 64 -4.252 -4.619 1.439 518 HB ILE 64 HB ILE 64 -3.066 -2.728 2.463 519 HG12 ILE 64 HG12 ILE 64 -2.053 -1.759 0.318 520 HG13 ILE 64 HG13 ILE 64 -2.344 -3.327 -0.431 521 HG21 ILE 64 HG21 ILE 64 -0.979 -3.999 3.024 522 HG22 ILE 64 HG22 ILE 64 -0.664 -2.443 2.255 523 HG23 ILE 64 HG23 ILE 64 -0.527 -3.932 1.321 524 HD11 ILE 64 HD11 ILE 64 -4.648 -3.071 -0.404 525 HD12 ILE 64 HD12 ILE 64 -4.156 -1.389 -0.599 526 HD13 ILE 64 HD13 ILE 64 -4.634 -1.986 0.985 527 H LYS 65 H LYS 65 -3.993 -5.225 -0.701 528 HA LYS 65 HA LYS 65 -1.793 -7.106 -1.207 529 HB2 LYS 65 HB2 LYS 65 -4.254 -7.014 -2.943 530 HB3 LYS 65 HB3 LYS 65 -3.064 -8.287 -2.697 531 HG2 LYS 65 HG2 LYS 65 -4.744 -9.189 -1.393 532 HG3 LYS 65 HG3 LYS 65 -3.965 -8.193 -0.176 533 HD2 LYS 65 HD2 LYS 65 -6.252 -7.637 0.042 534 HD3 LYS 65 HD3 LYS 65 -5.594 -6.321 -0.931 535 HE2 LYS 65 HE2 LYS 65 -6.339 -7.503 -2.989 536 HE3 LYS 65 HE3 LYS 65 -7.050 -8.763 -1.984 537 HZ1 LYS 65 HZ1 LYS 65 -8.229 -6.755 -0.866 538 HZ2 LYS 65 HZ2 LYS 65 -8.832 -7.391 -2.322 539 HZ3 LYS 65 HZ3 LYS 65 -7.898 -5.973 -2.333 540 H CYS 66 H CYS 66 -0.218 -6.425 -2.394 541 HA CYS 66 HA CYS 66 -0.693 -4.663 -4.683 542 HB2 CYS 66 HB2 CYS 66 1.086 -3.131 -4.020 543 HB3 CYS 66 HB3 CYS 66 -0.127 -3.198 -2.751 544 HG CYS 66 HG CYS 66 2.687 -3.745 -2.226 545 H THR 67 H THR 67 1.644 -4.304 -5.761 546 HA THR 67 HA THR 67 2.422 -6.722 -6.874 547 HB THR 67 HB THR 67 4.449 -5.545 -7.666 548 HG1 THR 67 HG1 THR 67 3.508 -3.475 -5.971 549 HG21 THR 67 HG21 THR 67 2.124 -3.630 -7.751 550 HG22 THR 67 HG22 THR 67 2.091 -5.165 -8.620 551 HG23 THR 67 HG23 THR 67 3.319 -3.959 -9.004 552 H GLY 68 H GLY 68 3.954 -8.239 -6.474 553 HA2 GLY 68 HA2 GLY 68 4.974 -8.405 -3.752 554 HA3 GLY 68 HA3 GLY 68 4.954 -9.684 -4.946 555 H ASN 69 H ASN 69 6.170 -7.079 -6.595 556 HA ASN 69 HA ASN 69 8.950 -7.900 -6.015 557 HB2 ASN 69 HB2 ASN 69 7.883 -6.819 -8.626 558 HB3 ASN 69 HB3 ASN 69 9.483 -7.497 -8.326 559 HD21 ASN 69 HD21 ASN 69 8.894 -9.864 -6.917 560 HD22 ASN 69 HD22 ASN 69 7.940 -10.880 -7.883 561 H HIS 70 H HIS 70 6.803 -5.197 -6.064 562 HA HIS 70 HA HIS 70 8.892 -3.206 -6.383 563 HB2 HIS 70 HB2 HIS 70 6.505 -2.919 -7.205 564 HB3 HIS 70 HB3 HIS 70 6.037 -2.713 -5.517 565 HD2 HIS 70 HD2 HIS 70 6.340 -0.110 -4.624 566 HE1 HIS 70 HE1 HIS 70 8.914 1.261 -7.677 567 HE2 HIS 70 HE2 HIS 70 7.594 1.952 -5.626 568 H LEU 71 H LEU 71 9.731 -1.857 -4.812 569 HA LEU 71 HA LEU 71 9.928 -2.917 -2.163 570 HB2 LEU 71 HB2 LEU 71 10.901 -0.326 -3.379 571 HB3 LEU 71 HB3 LEU 71 11.199 -0.790 -1.706 572 HG LEU 71 HG LEU 71 12.161 -2.984 -2.681 573 HD11 LEU 71 HD11 LEU 71 11.921 -1.272 -5.157 574 HD12 LEU 71 HD12 LEU 71 11.470 -2.962 -4.939 575 HD13 LEU 71 HD13 LEU 71 13.167 -2.513 -5.030 576 HD21 LEU 71 HD21 LEU 71 13.547 -0.323 -3.164 577 HD22 LEU 71 HD22 LEU 71 14.367 -1.885 -3.112 578 HD23 LEU 71 HD23 LEU 71 13.575 -1.256 -1.668 579 H ILE 72 H ILE 72 9.115 -2.199 -0.253 580 HA ILE 72 HA ILE 72 7.183 0.031 -0.298 581 HB ILE 72 HB ILE 72 5.722 -1.214 1.268 582 HG12 ILE 72 HG12 ILE 72 7.426 -3.658 0.640 583 HG13 ILE 72 HG13 ILE 72 7.638 -2.711 2.112 584 HG21 ILE 72 HG21 ILE 72 6.348 -2.448 -1.423 585 HG22 ILE 72 HG22 ILE 72 5.030 -1.358 -0.997 586 HG23 ILE 72 HG23 ILE 72 5.009 -3.026 -0.432 587 HD11 ILE 72 HD11 ILE 72 6.163 -4.435 2.775 588 HD12 ILE 72 HD12 ILE 72 5.257 -4.365 1.266 589 HD13 ILE 72 HD13 ILE 72 5.083 -3.077 2.458 590 H ARG 73 H ARG 73 6.978 1.169 1.747 591 HA ARG 73 HA ARG 73 9.513 1.395 3.031 592 HB2 ARG 73 HB2 ARG 73 7.815 3.304 2.748 593 HB3 ARG 73 HB3 ARG 73 6.990 2.613 4.146 594 HG2 ARG 73 HG2 ARG 73 8.469 4.210 5.100 595 HG3 ARG 73 HG3 ARG 73 9.314 2.680 5.320 596 HD2 ARG 73 HD2 ARG 73 11.048 3.804 4.378 597 HD3 ARG 73 HD3 ARG 73 10.274 3.401 2.863 598 HE ARG 73 HE ARG 73 9.463 5.638 2.710 599 HH11 ARG 73 HH11 ARG 73 11.283 5.142 5.698 600 HH12 ARG 73 HH12 ARG 73 11.478 6.834 5.985 601 HH21 ARG 73 HH21 ARG 73 9.784 7.829 3.135 602 HH22 ARG 73 HH22 ARG 73 10.636 8.338 4.553 603 H THR 74 H THR 74 10.291 0.690 4.893 604 HA THR 74 HA THR 74 8.529 -0.679 6.810 605 HB THR 74 HB THR 74 10.063 -2.560 7.045 606 HG1 THR 74 HG1 THR 74 11.983 -2.534 6.204 607 HG21 THR 74 HG21 THR 74 9.526 -3.743 5.079 608 HG22 THR 74 HG22 THR 74 9.658 -2.305 4.069 609 HG23 THR 74 HG23 THR 74 8.283 -2.496 5.153 610 H ASP 75 H ASP 75 9.916 -1.178 8.873 611 HA ASP 75 HA ASP 75 10.960 1.252 9.886 612 HB2 ASP 75 HB2 ASP 75 11.702 -0.096 11.816 613 HB3 ASP 75 HB3 ASP 75 10.048 -0.488 11.361 614 H LYS 76 H LYS 76 12.352 -1.128 7.860 615 HA LYS 76 HA LYS 76 15.110 -0.267 8.418 616 HB2 LYS 76 HB2 LYS 76 13.912 -2.707 7.107 617 HB3 LYS 76 HB3 LYS 76 15.617 -2.296 6.920 618 HG2 LYS 76 HG2 LYS 76 16.113 -2.685 9.175 619 HG3 LYS 76 HG3 LYS 76 14.469 -2.371 9.712 620 HD2 LYS 76 HD2 LYS 76 14.884 -4.753 9.932 621 HD3 LYS 76 HD3 LYS 76 13.747 -4.518 8.612 622 HE2 LYS 76 HE2 LYS 76 15.393 -6.145 7.902 623 HE3 LYS 76 HE3 LYS 76 15.689 -4.653 7.007 624 HZ1 LYS 76 HZ1 LYS 76 17.220 -4.272 9.167 625 HZ2 LYS 76 HZ2 LYS 76 17.780 -4.980 7.728 626 HZ3 LYS 76 HZ3 LYS 76 17.306 -5.960 9.032 627 H GLY 77 H GLY 77 12.867 1.120 6.783 628 HA2 GLY 77 HA2 GLY 77 12.998 2.631 5.000 629 HA3 GLY 77 HA3 GLY 77 14.511 1.882 4.505 630 H TRP 78 H TRP 78 13.418 2.141 2.336 631 HA TRP 78 HA TRP 78 11.166 0.574 1.568 632 HB2 TRP 78 HB2 TRP 78 13.504 1.560 -0.096 633 HB3 TRP 78 HB3 TRP 78 12.009 0.895 -0.747 634 HD1 TRP 78 HD1 TRP 78 13.559 4.067 0.277 635 HE1 TRP 78 HE1 TRP 78 11.810 5.955 0.390 636 HE3 TRP 78 HE3 TRP 78 9.264 1.314 0.046 637 HZ2 TRP 78 HZ2 TRP 78 8.971 6.263 0.391 638 HZ3 TRP 78 HZ3 TRP 78 7.050 2.432 0.111 639 HH2 TRP 78 HH2 TRP 78 6.902 4.904 0.283 640 H ILE 79 H ILE 79 10.969 -1.544 1.197 641 HA ILE 79 HA ILE 79 13.354 -3.161 0.623 642 HB ILE 79 HB ILE 79 11.271 -3.902 2.702 643 HG12 ILE 79 HG12 ILE 79 12.830 -2.161 3.520 644 HG13 ILE 79 HG13 ILE 79 13.113 -3.684 4.355 645 HG21 ILE 79 HG21 ILE 79 13.699 -5.390 1.665 646 HG22 ILE 79 HG22 ILE 79 12.016 -5.919 1.637 647 HG23 ILE 79 HG23 ILE 79 12.881 -5.812 3.171 648 HD11 ILE 79 HD11 ILE 79 14.996 -2.075 2.890 649 HD12 ILE 79 HD12 ILE 79 14.844 -3.610 2.039 650 HD13 ILE 79 HD13 ILE 79 15.298 -3.586 3.740 651 H LYS 80 H LYS 80 13.073 -4.722 -0.841 652 HA LYS 80 HA LYS 80 10.944 -4.693 -2.652 653 HB2 LYS 80 HB2 LYS 80 13.232 -5.686 -3.021 654 HB3 LYS 80 HB3 LYS 80 12.720 -7.073 -2.064 655 HG2 LYS 80 HG2 LYS 80 10.916 -7.536 -3.632 656 HG3 LYS 80 HG3 LYS 80 11.323 -6.096 -4.570 657 HD2 LYS 80 HD2 LYS 80 13.620 -7.054 -4.924 658 HD3 LYS 80 HD3 LYS 80 13.063 -8.545 -4.164 659 HE2 LYS 80 HE2 LYS 80 11.793 -7.285 -6.609 660 HE3 LYS 80 HE3 LYS 80 12.935 -8.625 -6.655 661 HZ1 LYS 80 HZ1 LYS 80 10.472 -9.164 -6.684 662 HZ2 LYS 80 HZ2 LYS 80 10.464 -8.756 -5.037 663 HZ3 LYS 80 HZ3 LYS 80 11.433 -10.039 -5.598 664 H ALA 81 H ALA 81 8.972 -5.642 -2.741 665 HA ALA 81 HA ALA 81 7.680 -6.486 -0.418 666 HB1 ALA 81 HB1 ALA 81 5.991 -7.482 -2.162 667 HB2 ALA 81 HB2 ALA 81 7.021 -6.650 -3.329 668 HB3 ALA 81 HB3 ALA 81 6.227 -5.738 -2.048 669 H ALA 82 H ALA 82 9.119 -8.443 -3.005 670 HA ALA 82 HA ALA 82 8.294 -10.974 -2.068 671 HB1 ALA 82 HB1 ALA 82 9.751 -11.886 -3.618 672 HB2 ALA 82 HB2 ALA 82 10.968 -10.630 -3.379 673 HB3 ALA 82 HB3 ALA 82 9.502 -10.278 -4.296 674 H ASN 83 H ASN 83 11.017 -8.905 -1.195 675 HA ASN 83 HA ASN 83 12.364 -10.824 0.441 676 HB2 ASN 83 HB2 ASN 83 13.446 -8.804 -0.592 677 HB3 ASN 83 HB3 ASN 83 12.588 -7.818 0.599 678 HD21 ASN 83 HD21 ASN 83 15.487 -9.492 0.080 679 HD22 ASN 83 HD22 ASN 83 15.988 -9.616 1.698 680 H ILE 84 H ILE 84 9.778 -8.501 1.017 681 HA ILE 84 HA ILE 84 9.948 -8.183 3.775 682 HB ILE 84 HB ILE 84 7.398 -8.419 2.139 683 HG12 ILE 84 HG12 ILE 84 8.887 -6.657 1.246 684 HG13 ILE 84 HG13 ILE 84 7.482 -5.934 2.006 685 HG21 ILE 84 HG21 ILE 84 7.787 -6.982 4.782 686 HG22 ILE 84 HG22 ILE 84 7.089 -8.594 4.636 687 HG23 ILE 84 HG23 ILE 84 6.273 -7.212 3.906 688 HD11 ILE 84 HD11 ILE 84 9.298 -4.610 2.779 689 HD12 ILE 84 HD12 ILE 84 10.339 -6.012 3.017 690 HD13 ILE 84 HD13 ILE 84 8.999 -5.714 4.122 691 H THR 85 H THR 85 9.545 -9.353 5.489 692 HA THR 85 HA THR 85 8.238 -11.980 5.239 693 HB THR 85 HB THR 85 10.588 -12.530 5.300 694 HG1 THR 85 HG1 THR 85 9.667 -13.904 6.641 695 HG21 THR 85 HG21 THR 85 10.734 -10.357 7.362 696 HG22 THR 85 HG22 THR 85 11.794 -10.676 5.990 697 HG23 THR 85 HG23 THR 85 11.889 -11.688 7.431 698 HA PRO 86 HA PRO 86 5.469 -10.826 8.424 699 HB2 PRO 86 HB2 PRO 86 6.106 -12.790 10.417 700 HB3 PRO 86 HB3 PRO 86 4.773 -12.804 9.249 701 HG2 PRO 86 HG2 PRO 86 7.432 -14.097 9.083 702 HG3 PRO 86 HG3 PRO 86 5.876 -14.612 8.405 703 HD2 PRO 86 HD2 PRO 86 7.735 -13.630 6.783 704 HD3 PRO 86 HD3 PRO 86 6.033 -13.149 6.577 705 H LYS 87 H LYS 87 8.815 -11.406 9.557 706 HA LYS 87 HA LYS 87 8.519 -10.049 12.046 707 HB2 LYS 87 HB2 LYS 87 10.926 -10.081 12.273 708 HB3 LYS 87 HB3 LYS 87 10.429 -11.614 11.565 709 HG2 LYS 87 HG2 LYS 87 11.059 -10.835 9.352 710 HG3 LYS 87 HG3 LYS 87 11.483 -9.244 9.984 711 HD2 LYS 87 HD2 LYS 87 13.182 -10.377 11.461 712 HD3 LYS 87 HD3 LYS 87 12.828 -11.886 10.621 713 HE2 LYS 87 HE2 LYS 87 14.792 -10.841 9.598 714 HE3 LYS 87 HE3 LYS 87 13.450 -10.785 8.459 715 HZ1 LYS 87 HZ1 LYS 87 14.711 -8.670 8.705 716 HZ2 LYS 87 HZ2 LYS 87 14.123 -8.560 10.295 717 HZ3 LYS 87 HZ3 LYS 87 13.045 -8.528 8.983 718 H MET 88 H MET 88 9.103 -8.867 8.827 719 HA MET 88 HA MET 88 10.171 -6.347 9.402 720 HB2 MET 88 HB2 MET 88 8.939 -7.641 7.061 721 HB3 MET 88 HB3 MET 88 8.593 -5.920 7.121 722 HG2 MET 88 HG2 MET 88 10.618 -6.016 5.919 723 HG3 MET 88 HG3 MET 88 11.152 -5.641 7.553 724 HE1 MET 88 HE1 MET 88 13.465 -6.301 6.964 725 HE2 MET 88 HE2 MET 88 13.117 -6.863 5.331 726 HE3 MET 88 HE3 MET 88 14.021 -7.897 6.433 727 H LYS 89 H LYS 89 9.274 -4.325 9.678 728 HA LYS 89 HA LYS 89 6.391 -4.228 10.344 729 HB2 LYS 89 HB2 LYS 89 8.663 -2.895 11.843 730 HB3 LYS 89 HB3 LYS 89 6.947 -2.632 12.162 731 HG2 LYS 89 HG2 LYS 89 6.646 -5.008 12.697 732 HG3 LYS 89 HG3 LYS 89 8.332 -5.332 12.307 733 HD2 LYS 89 HD2 LYS 89 8.237 -5.157 14.689 734 HD3 LYS 89 HD3 LYS 89 8.949 -3.646 14.125 735 HE2 LYS 89 HE2 LYS 89 6.767 -2.527 14.307 736 HE3 LYS 89 HE3 LYS 89 6.020 -4.041 14.815 737 HZ1 LYS 89 HZ1 LYS 89 6.814 -2.329 16.577 738 HZ2 LYS 89 HZ2 LYS 89 8.343 -3.015 16.293 739 HZ3 LYS 89 HZ3 LYS 89 7.058 -3.985 16.840 740 H ILE 90 H ILE 90 5.297 -2.332 9.794 741 HA ILE 90 HA ILE 90 6.821 -0.397 8.141 742 HB ILE 90 HB ILE 90 4.008 -1.388 7.553 743 HG12 ILE 90 HG12 ILE 90 5.353 -2.255 5.408 744 HG13 ILE 90 HG13 ILE 90 6.729 -2.204 6.505 745 HG21 ILE 90 HG21 ILE 90 4.042 0.739 6.640 746 HG22 ILE 90 HG22 ILE 90 4.673 -0.186 5.283 747 HG23 ILE 90 HG23 ILE 90 5.774 0.711 6.328 748 HD11 ILE 90 HD11 ILE 90 5.848 -3.874 7.890 749 HD12 ILE 90 HD12 ILE 90 5.323 -4.405 6.297 750 HD13 ILE 90 HD13 ILE 90 4.189 -3.583 7.364 751 H LEU 91 H LEU 91 6.556 1.696 8.598 752 HA LEU 91 HA LEU 91 4.961 2.494 10.842 753 HB2 LEU 91 HB2 LEU 91 5.629 4.795 10.222 754 HB3 LEU 91 HB3 LEU 91 6.989 3.722 10.485 755 HG LEU 91 HG LEU 91 6.068 3.781 7.630 756 HD11 LEU 91 HD11 LEU 91 6.735 5.959 7.045 757 HD12 LEU 91 HD12 LEU 91 7.506 6.250 8.605 758 HD13 LEU 91 HD13 LEU 91 5.750 6.186 8.488 759 HD21 LEU 91 HD21 LEU 91 8.730 4.069 9.066 760 HD22 LEU 91 HD22 LEU 91 8.581 4.159 7.312 761 HD23 LEU 91 HD23 LEU 91 8.153 2.672 8.156 762 H SER 92 H SER 92 2.922 3.038 10.883 763 HA SER 92 HA SER 92 1.535 3.558 8.339 764 HB2 SER 92 HB2 SER 92 0.480 2.306 10.883 765 HB3 SER 92 HB3 SER 92 -0.475 2.642 9.441 766 HG SER 92 HG SER 92 0.524 1.059 8.408 767 HA PRO 93 HA PRO 93 0.770 7.602 10.292 768 HB2 PRO 93 HB2 PRO 93 -0.875 8.692 8.451 769 HB3 PRO 93 HB3 PRO 93 0.867 8.517 8.171 770 HG2 PRO 93 HG2 PRO 93 -1.361 6.760 7.234 771 HG3 PRO 93 HG3 PRO 93 0.021 7.389 6.318 772 HD2 PRO 93 HD2 PRO 93 0.019 4.879 7.291 773 HD3 PRO 93 HD3 PRO 93 1.513 5.847 7.236 774 H GLU 94 H GLU 94 -0.893 8.527 11.517 775 HA GLU 94 HA GLU 94 -3.423 6.997 11.669 776 HB2 GLU 94 HB2 GLU 94 -1.728 8.280 13.806 777 HB3 GLU 94 HB3 GLU 94 -3.425 7.888 14.081 778 HG2 GLU 94 HG2 GLU 94 -1.385 5.870 13.111 779 HG3 GLU 94 HG3 GLU 94 -1.799 6.086 14.809 780 H ILE 95 H ILE 95 -5.220 8.098 11.301 781 HA ILE 95 HA ILE 95 -5.026 10.957 10.799 782 HB ILE 95 HB ILE 95 -7.338 9.027 10.317 783 HG12 ILE 95 HG12 ILE 95 -5.454 10.289 8.288 784 HG13 ILE 95 HG13 ILE 95 -5.161 8.696 8.982 785 HG21 ILE 95 HG21 ILE 95 -8.061 11.404 10.582 786 HG22 ILE 95 HG22 ILE 95 -8.282 10.838 8.926 787 HG23 ILE 95 HG23 ILE 95 -6.915 11.879 9.326 788 HD11 ILE 95 HD11 ILE 95 -6.394 8.736 6.733 789 HD12 ILE 95 HD12 ILE 95 -7.770 9.404 7.612 790 HD13 ILE 95 HD13 ILE 95 -7.160 7.800 8.018 791 H ASP 96 H ASP 96 -5.578 12.422 12.225 792 HA ASP 96 HA ASP 96 -7.846 12.317 13.925 793 HB2 ASP 96 HB2 ASP 96 -5.857 10.784 14.963 794 HB3 ASP 96 HB3 ASP 96 -5.388 12.351 15.617 795 H ALA 97 H ALA 97 -6.679 14.107 15.981 796 HA ALA 97 HA ALA 97 -6.924 16.601 14.688 797 HB1 ALA 97 HB1 ALA 97 -7.293 16.762 16.970 798 HB2 ALA 97 HB2 ALA 97 -5.642 17.371 16.864 799 HB3 ALA 97 HB3 ALA 97 -5.937 15.709 17.374 800 H ALA 98 H ALA 98 -4.112 14.632 15.537 801 HA ALA 98 HA ALA 98 -2.494 16.172 13.636 802 HB1 ALA 98 HB1 ALA 98 -1.746 15.532 16.492 803 HB2 ALA 98 HB2 ALA 98 -1.743 17.103 15.693 804 HB3 ALA 98 HB3 ALA 98 -0.540 15.891 15.256 805 H VAL 99 H VAL 99 -1.335 14.871 12.311 806 HA VAL 99 HA VAL 99 -1.837 12.130 12.165 807 HB VAL 99 HB VAL 99 0.036 12.026 10.541 808 HG11 VAL 99 HG11 VAL 99 -0.881 13.711 8.966 809 HG12 VAL 99 HG12 VAL 99 -1.754 14.461 10.303 810 HG13 VAL 99 HG13 VAL 99 -2.154 12.819 9.799 811 HG21 VAL 99 HG21 VAL 99 0.504 14.909 11.410 812 HG22 VAL 99 HG22 VAL 99 1.288 14.126 10.039 813 HG23 VAL 99 HG23 VAL 99 1.607 13.558 11.677 814 H LYS 100 H LYS 100 -0.940 10.336 13.019 815 HA LYS 100 HA LYS 100 1.548 10.658 14.612 816 HB2 LYS 100 HB2 LYS 100 -0.624 10.540 16.000 817 HB3 LYS 100 HB3 LYS 100 -0.691 8.849 15.516 818 HG2 LYS 100 HG2 LYS 100 0.470 8.827 17.589 819 HG3 LYS 100 HG3 LYS 100 1.732 8.668 16.366 820 HD2 LYS 100 HD2 LYS 100 2.330 10.985 16.549 821 HD3 LYS 100 HD3 LYS 100 0.898 11.346 17.511 822 HE2 LYS 100 HE2 LYS 100 3.098 9.465 18.407 823 HE3 LYS 100 HE3 LYS 100 3.003 11.164 18.869 824 HZ1 LYS 100 HZ1 LYS 100 1.371 8.913 19.730 825 HZ2 LYS 100 HZ2 LYS 100 0.548 10.379 19.482 826 HZ3 LYS 100 HZ3 LYS 100 1.841 10.300 20.581 827 H THR 101 H THR 101 3.082 9.212 14.276 828 HA THR 101 HA THR 101 2.640 7.111 12.290 829 HB THR 101 HB THR 101 5.199 8.078 13.603 830 HG1 THR 101 HG1 THR 101 5.365 9.421 11.921 831 HG21 THR 101 HG21 THR 101 4.881 6.587 11.000 832 HG22 THR 101 HG22 THR 101 5.160 5.751 12.526 833 HG23 THR 101 HG23 THR 101 6.363 6.881 11.907 834 H ALA 102 H ALA 102 2.570 4.982 12.696 835 HA ALA 102 HA ALA 102 3.664 3.893 15.179 836 HB1 ALA 102 HB1 ALA 102 1.625 2.780 15.834 837 HB2 ALA 102 HB2 ALA 102 0.783 3.386 14.407 838 HB3 ALA 102 HB3 ALA 102 1.288 4.503 15.674 839 H LEU 103 H LEU 103 4.710 2.069 14.758 840 HA LEU 103 HA LEU 103 4.750 0.876 12.163 841 HB2 LEU 103 HB2 LEU 103 5.898 -0.079 14.802 842 HB3 LEU 103 HB3 LEU 103 6.240 -0.805 13.237 843 HG LEU 103 HG LEU 103 6.758 2.130 13.786 844 HD11 LEU 103 HD11 LEU 103 8.061 0.707 15.367 845 HD12 LEU 103 HD12 LEU 103 9.102 1.516 14.195 846 HD13 LEU 103 HD13 LEU 103 8.710 -0.191 13.995 847 HD21 LEU 103 HD21 LEU 103 6.620 1.251 11.401 848 HD22 LEU 103 HD22 LEU 103 7.992 0.219 11.774 849 HD23 LEU 103 HD23 LEU 103 8.170 1.970 11.822 850 H GLN 104 H GLN 104 4.078 -1.184 11.506 851 HA GLN 104 HA GLN 104 2.180 -2.579 13.288 852 HB2 GLN 104 HB2 GLN 104 0.713 -3.076 11.402 853 HB3 GLN 104 HB3 GLN 104 0.939 -1.334 11.501 854 HG2 GLN 104 HG2 GLN 104 2.819 -1.645 9.763 855 HG3 GLN 104 HG3 GLN 104 2.184 -3.266 9.534 856 HE21 GLN 104 HE21 GLN 104 2.152 -0.887 7.637 857 HE22 GLN 104 HE22 GLN 104 0.517 -0.686 7.226 858 H ASP 105 H ASP 105 2.192 -4.818 13.197 859 HA ASP 105 HA ASP 105 4.711 -5.941 12.213 860 HB2 ASP 105 HB2 ASP 105 4.080 -6.269 14.577 861 HB3 ASP 105 HB3 ASP 105 2.652 -7.160 14.060 862 H VAL 106 H VAL 106 4.819 -7.024 10.348 863 HA VAL 106 HA VAL 106 2.515 -7.794 8.854 864 HB VAL 106 HB VAL 106 5.412 -8.716 8.536 865 HG11 VAL 106 HG11 VAL 106 3.162 -8.701 6.488 866 HG12 VAL 106 HG12 VAL 106 3.685 -10.137 7.367 867 HG13 VAL 106 HG13 VAL 106 4.796 -9.325 6.264 868 HG21 VAL 106 HG21 VAL 106 5.534 -6.942 6.813 869 HG22 VAL 106 HG22 VAL 106 5.122 -6.244 8.381 870 HG23 VAL 106 HG23 VAL 106 3.870 -6.475 7.162 871 H GLU 107 H GLU 107 1.153 -9.336 9.581 872 HA GLU 107 HA GLU 107 1.955 -11.522 11.251 873 HB2 GLU 107 HB2 GLU 107 -0.362 -10.531 11.196 874 HB3 GLU 107 HB3 GLU 107 -0.574 -11.275 9.609 875 HG2 GLU 107 HG2 GLU 107 -0.185 -13.499 10.564 876 HG3 GLU 107 HG3 GLU 107 0.084 -12.787 12.157 877 H SER 108 H SER 108 1.201 -11.123 7.818 878 HA SER 108 HA SER 108 2.989 -13.106 6.917 879 HB2 SER 108 HB2 SER 108 1.278 -14.701 6.025 880 HB3 SER 108 HB3 SER 108 1.498 -14.759 7.775 881 HG SER 108 HG SER 108 -0.529 -13.427 6.278 882 H ILE 109 H ILE 109 2.616 -13.622 4.581 883 HA ILE 109 HA ILE 109 1.215 -11.444 3.147 884 HB ILE 109 HB ILE 109 3.896 -12.680 2.380 885 HG12 ILE 109 HG12 ILE 109 3.266 -9.809 3.159 886 HG13 ILE 109 HG13 ILE 109 3.837 -10.993 4.326 887 HG21 ILE 109 HG21 ILE 109 2.095 -10.632 1.041 888 HG22 ILE 109 HG22 ILE 109 2.720 -12.131 0.352 889 HG23 ILE 109 HG23 ILE 109 3.809 -10.777 0.650 890 HD11 ILE 109 HD11 ILE 109 5.746 -9.718 3.490 891 HD12 ILE 109 HD12 ILE 109 5.301 -10.086 1.825 892 HD13 ILE 109 HD13 ILE 109 5.856 -11.374 2.893 893 H GLU 110 H GLU 110 -0.272 -12.197 1.679 894 HA GLU 110 HA GLU 110 -0.088 -15.072 0.900 895 HB2 GLU 110 HB2 GLU 110 -2.604 -13.506 1.507 896 HB3 GLU 110 HB3 GLU 110 -2.548 -15.172 0.942 897 HG2 GLU 110 HG2 GLU 110 -1.293 -14.170 3.520 898 HG3 GLU 110 HG3 GLU 110 -2.823 -15.034 3.413 899 H LYS 111 H LYS 111 0.421 -15.230 -1.166 900 HA LYS 111 HA LYS 111 -0.068 -13.273 -3.166 901 HB2 LYS 111 HB2 LYS 111 1.722 -14.991 -3.320 902 HB3 LYS 111 HB3 LYS 111 0.490 -16.236 -3.506 903 HG2 LYS 111 HG2 LYS 111 -0.309 -15.161 -5.570 904 HG3 LYS 111 HG3 LYS 111 0.888 -13.878 -5.381 905 HD2 LYS 111 HD2 LYS 111 2.699 -15.543 -5.534 906 HD3 LYS 111 HD3 LYS 111 1.505 -16.827 -5.731 907 HE2 LYS 111 HE2 LYS 111 0.679 -15.757 -7.790 908 HE3 LYS 111 HE3 LYS 111 1.863 -14.464 -7.598 909 HZ1 LYS 111 HZ1 LYS 111 2.860 -15.951 -9.057 910 HZ2 LYS 111 HZ2 LYS 111 2.328 -17.318 -8.197 911 HZ3 LYS 111 HZ3 LYS 111 3.564 -16.339 -7.564 912 H LEU 112 H LEU 112 -1.762 -12.947 -4.535 913 HA LEU 112 HA LEU 112 -4.063 -14.808 -4.327 914 HB2 LEU 112 HB2 LEU 112 -4.303 -11.908 -5.166 915 HB3 LEU 112 HB3 LEU 112 -5.584 -13.029 -4.737 916 HG LEU 112 HG LEU 112 -4.251 -13.126 -2.399 917 HD11 LEU 112 HD11 LEU 112 -3.744 -10.227 -3.043 918 HD12 LEU 112 HD12 LEU 112 -2.552 -11.420 -3.528 919 HD13 LEU 112 HD13 LEU 112 -2.986 -11.262 -1.837 920 HD21 LEU 112 HD21 LEU 112 -6.633 -12.335 -2.851 921 HD22 LEU 112 HD22 LEU 112 -5.978 -10.712 -3.065 922 HD23 LEU 112 HD23 LEU 112 -5.830 -11.522 -1.505 923 H GLY 113 H GLY 113 -1.843 -13.153 -6.408 924 HA2 GLY 113 HA2 GLY 113 -1.231 -13.754 -8.542 925 HA3 GLY 113 HA3 GLY 113 -2.615 -14.817 -8.620 926 H VAL 114 H VAL 114 -3.109 -14.088 -10.715 927 HA VAL 114 HA VAL 114 -3.353 -11.448 -11.529 928 HB VAL 114 HB VAL 114 -4.892 -13.861 -12.555 929 HG11 VAL 114 HG11 VAL 114 -6.001 -11.986 -13.484 930 HG12 VAL 114 HG12 VAL 114 -4.825 -12.409 -14.726 931 HG13 VAL 114 HG13 VAL 114 -4.507 -11.064 -13.629 932 HG21 VAL 114 HG21 VAL 114 -2.293 -12.590 -13.498 933 HG22 VAL 114 HG22 VAL 114 -3.082 -13.987 -14.230 934 HG23 VAL 114 HG23 VAL 114 -2.410 -14.106 -12.604 935 H ASN 115 H ASN 115 -4.608 -9.900 -10.937 936 HA ASN 115 HA ASN 115 -7.459 -10.291 -10.413 937 HB2 ASN 115 HB2 ASN 115 -5.557 -8.928 -8.467 938 HB3 ASN 115 HB3 ASN 115 -7.300 -8.726 -8.442 939 HD21 ASN 115 HD21 ASN 115 -5.806 -9.862 -6.257 940 HD22 ASN 115 HD22 ASN 115 -6.308 -11.476 -6.073 941 H HIS 116 H HIS 116 -8.454 -7.980 -10.142 942 HA HIS 116 HA HIS 116 -7.466 -6.321 -12.319 943 HB2 HIS 116 HB2 HIS 116 -9.728 -5.861 -10.341 944 HB3 HIS 116 HB3 HIS 116 -9.367 -4.829 -11.726 945 HD2 HIS 116 HD2 HIS 116 -11.628 -7.743 -10.989 946 HE1 HIS 116 HE1 HIS 116 -10.833 -8.018 -15.128 947 HE2 HIS 116 HE2 HIS 116 -12.327 -8.854 -13.245 948 H VAL 117 H VAL 117 -5.996 -4.762 -12.053 949 HA VAL 117 HA VAL 117 -5.465 -3.803 -9.299 950 HB VAL 117 HB VAL 117 -3.420 -4.574 -11.416 951 HG11 VAL 117 HG11 VAL 117 -3.136 -3.379 -8.657 952 HG12 VAL 117 HG12 VAL 117 -2.467 -2.793 -10.176 953 HG13 VAL 117 HG13 VAL 117 -1.831 -4.265 -9.443 954 HG21 VAL 117 HG21 VAL 117 -4.345 -5.862 -8.830 955 HG22 VAL 117 HG22 VAL 117 -2.811 -6.283 -9.592 956 HG23 VAL 117 HG23 VAL 117 -4.326 -6.571 -10.443 957 H TYR 118 H TYR 118 -5.359 -1.691 -9.002 958 HA TYR 118 HA TYR 118 -4.985 0.137 -11.284 959 HB2 TYR 118 HB2 TYR 118 -7.109 0.479 -9.129 960 HB3 TYR 118 HB3 TYR 118 -6.840 1.506 -10.533 961 HD1 TYR 118 HD1 TYR 118 -8.213 -1.664 -9.327 962 HD2 TYR 118 HD2 TYR 118 -7.464 0.720 -12.805 963 HE1 TYR 118 HE1 TYR 118 -9.753 -3.099 -10.621 964 HE2 TYR 118 HE2 TYR 118 -9.009 -0.711 -14.124 965 HH TYR 118 HH TYR 118 -11.125 -2.957 -12.655 966 H ASP 119 H ASP 119 -4.147 2.236 -10.637 967 HA ASP 119 HA ASP 119 -3.629 2.807 -7.874 968 HB2 ASP 119 HB2 ASP 119 -1.821 1.130 -8.577 969 HB3 ASP 119 HB3 ASP 119 -1.142 2.453 -9.533 970 H ILE 120 H ILE 120 -2.368 4.851 -7.600 971 HA ILE 120 HA ILE 120 -2.550 6.613 -9.948 972 HB ILE 120 HB ILE 120 -4.640 6.892 -8.757 973 HG12 ILE 120 HG12 ILE 120 -3.429 9.458 -7.838 974 HG13 ILE 120 HG13 ILE 120 -2.888 9.028 -9.436 975 HG21 ILE 120 HG21 ILE 120 -4.172 6.179 -6.551 976 HG22 ILE 120 HG22 ILE 120 -4.534 7.898 -6.394 977 HG23 ILE 120 HG23 ILE 120 -2.860 7.343 -6.361 978 HD11 ILE 120 HD11 ILE 120 -5.783 9.242 -8.549 979 HD12 ILE 120 HD12 ILE 120 -5.261 8.732 -10.154 980 HD13 ILE 120 HD13 ILE 120 -4.926 10.371 -9.599 981 H GLU 121 H GLU 121 -1.112 8.173 -10.115 982 HA GLU 121 HA GLU 121 1.226 8.081 -8.395 983 HB2 GLU 121 HB2 GLU 121 0.686 9.465 -11.016 984 HB3 GLU 121 HB3 GLU 121 2.231 9.515 -10.165 985 HG2 GLU 121 HG2 GLU 121 2.430 7.078 -10.312 986 HG3 GLU 121 HG3 GLU 121 0.841 6.968 -11.067 987 H VAL 122 H VAL 122 2.300 9.920 -7.590 988 HA VAL 122 HA VAL 122 0.451 12.148 -6.983 989 HB VAL 122 HB VAL 122 1.620 12.418 -4.819 990 HG11 VAL 122 HG11 VAL 122 0.386 9.725 -5.426 991 HG12 VAL 122 HG12 VAL 122 -0.414 11.156 -4.781 992 HG13 VAL 122 HG13 VAL 122 0.744 10.270 -3.789 993 HG21 VAL 122 HG21 VAL 122 3.209 10.802 -4.038 994 HG22 VAL 122 HG22 VAL 122 3.746 11.284 -5.645 995 HG23 VAL 122 HG23 VAL 122 2.918 9.743 -5.419 996 H GLU 123 H GLU 123 1.301 14.204 -6.865 997 HA GLU 123 HA GLU 123 3.360 14.661 -8.806 998 HB2 GLU 123 HB2 GLU 123 2.733 17.036 -8.634 999 HB3 GLU 123 HB3 GLU 123 1.346 15.988 -8.897 1000 HG2 GLU 123 HG2 GLU 123 0.600 17.409 -7.214 1001 HG3 GLU 123 HG3 GLU 123 1.106 15.989 -6.314 1002 H HIS 124 H HIS 124 3.584 14.548 -5.329 1003 HA HIS 124 HA HIS 124 5.856 16.444 -5.399 1004 HB2 HIS 124 HB2 HIS 124 3.982 16.689 -3.695 1005 HB3 HIS 124 HB3 HIS 124 4.660 15.270 -2.891 1006 HD2 HIS 124 HD2 HIS 124 5.304 19.063 -3.094 1007 HE1 HIS 124 HE1 HIS 124 8.716 17.383 -1.266 1008 HE2 HIS 124 HE2 HIS 124 7.522 19.555 -1.815 1009 H ASN 125 H ASN 125 5.316 13.347 -3.611 1010 HA ASN 125 HA ASN 125 8.236 12.881 -3.825 1011 HB2 ASN 125 HB2 ASN 125 7.060 13.024 -1.537 1012 HB3 ASN 125 HB3 ASN 125 6.444 11.412 -1.919 1013 HD21 ASN 125 HD21 ASN 125 7.728 10.243 -0.391 1014 HD22 ASN 125 HD22 ASN 125 9.419 10.147 -0.502 1015 H HIS 126 H HIS 126 5.571 11.883 -5.438 1016 HA HIS 126 HA HIS 126 5.057 10.078 -6.753 1017 HB2 HIS 126 HB2 HIS 126 8.022 9.492 -6.468 1018 HB3 HIS 126 HB3 HIS 126 6.947 8.769 -7.662 1019 HD2 HIS 126 HD2 HIS 126 9.187 11.838 -7.346 1020 HE1 HIS 126 HE1 HIS 126 6.501 12.718 -10.482 1021 HE2 HIS 126 HE2 HIS 126 8.642 13.448 -9.327 1022 H ASN 127 H ASN 127 4.850 9.822 -3.816 1023 HA ASN 127 HA ASN 127 4.763 6.880 -3.662 1024 HB2 ASN 127 HB2 ASN 127 5.860 8.743 -1.543 1025 HB3 ASN 127 HB3 ASN 127 5.392 7.078 -1.221 1026 HD21 ASN 127 HD21 ASN 127 8.108 8.031 -0.920 1027 HD22 ASN 127 HD22 ASN 127 9.069 7.228 -2.066 1028 H PHE 128 H PHE 128 3.157 6.048 -2.198 1029 HA PHE 128 HA PHE 128 1.259 7.925 -1.038 1030 HB2 PHE 128 HB2 PHE 128 -0.699 7.051 -2.196 1031 HB3 PHE 128 HB3 PHE 128 0.455 7.659 -3.382 1032 HD1 PHE 128 HD1 PHE 128 -1.153 4.671 -1.980 1033 HD2 PHE 128 HD2 PHE 128 1.758 6.097 -4.797 1034 HE1 PHE 128 HE1 PHE 128 -1.106 2.441 -3.055 1035 HE2 PHE 128 HE2 PHE 128 1.803 3.863 -5.875 1036 HZ PHE 128 HZ PHE 128 0.371 2.036 -5.005 1037 H VAL 129 H VAL 129 -0.430 6.795 0.257 1038 HA VAL 129 HA VAL 129 0.676 4.307 1.422 1039 HB VAL 129 HB VAL 129 -1.087 6.421 2.715 1040 HG11 VAL 129 HG11 VAL 129 0.309 4.067 4.028 1041 HG12 VAL 129 HG12 VAL 129 -1.392 4.055 3.565 1042 HG13 VAL 129 HG13 VAL 129 -0.819 5.197 4.779 1043 HG21 VAL 129 HG21 VAL 129 1.797 5.728 3.349 1044 HG22 VAL 129 HG22 VAL 129 0.866 7.109 3.931 1045 HG23 VAL 129 HG23 VAL 129 1.349 7.024 2.238 1046 H ALA 130 H ALA 130 -0.436 2.493 1.096 1047 HA ALA 130 HA ALA 130 -3.269 2.696 0.308 1048 HB1 ALA 130 HB1 ALA 130 -1.414 0.343 -0.059 1049 HB2 ALA 130 HB2 ALA 130 -1.678 1.591 -1.278 1050 HB3 ALA 130 HB3 ALA 130 -3.017 0.567 -0.760 1051 H ASN 131 H ASN 131 -4.691 2.256 1.810 1052 HA ASN 131 HA ASN 131 -5.683 1.468 3.707 1053 HB2 ASN 131 HB2 ASN 131 -5.500 -0.566 2.212 1054 HB3 ASN 131 HB3 ASN 131 -4.101 -1.041 3.176 1055 HD21 ASN 131 HD21 ASN 131 -6.567 -2.577 3.043 1056 HD22 ASN 131 HD22 ASN 131 -7.245 -2.586 4.597 1057 H GLY 132 H GLY 132 -3.418 3.024 4.265 1058 HA2 GLY 132 HA2 GLY 132 -2.372 3.655 6.238 1059 HA3 GLY 132 HA3 GLY 132 -2.819 2.110 6.943 1060 H LEU 133 H LEU 133 -1.333 1.418 4.026 1061 HA LEU 133 HA LEU 133 1.310 1.094 5.325 1062 HB2 LEU 133 HB2 LEU 133 0.154 -1.030 4.846 1063 HB3 LEU 133 HB3 LEU 133 0.073 -0.627 3.138 1064 HG LEU 133 HG LEU 133 2.798 -0.479 4.408 1065 HD11 LEU 133 HD11 LEU 133 1.474 -3.127 3.749 1066 HD12 LEU 133 HD12 LEU 133 1.914 -2.573 5.366 1067 HD13 LEU 133 HD13 LEU 133 3.171 -2.905 4.174 1068 HD21 LEU 133 HD21 LEU 133 2.645 0.012 2.066 1069 HD22 LEU 133 HD22 LEU 133 1.687 -1.438 1.758 1070 HD23 LEU 133 HD23 LEU 133 3.389 -1.581 2.195 1071 H LEU 134 H LEU 134 2.888 2.323 4.555 1072 HA LEU 134 HA LEU 134 2.560 3.934 2.224 1073 HB2 LEU 134 HB2 LEU 134 3.844 4.753 4.136 1074 HB3 LEU 134 HB3 LEU 134 5.009 3.450 3.945 1075 HG LEU 134 HG LEU 134 5.640 4.357 1.701 1076 HD11 LEU 134 HD11 LEU 134 3.669 5.451 0.937 1077 HD12 LEU 134 HD12 LEU 134 4.837 6.743 1.195 1078 HD13 LEU 134 HD13 LEU 134 3.563 6.457 2.383 1079 HD21 LEU 134 HD21 LEU 134 6.998 5.115 3.524 1080 HD22 LEU 134 HD22 LEU 134 5.757 6.230 4.071 1081 HD23 LEU 134 HD23 LEU 134 6.632 6.548 2.572 1082 H VAL 135 H VAL 135 2.920 3.473 0.204 1083 HA VAL 135 HA VAL 135 4.821 1.326 -0.506 1084 HB VAL 135 HB VAL 135 2.150 1.933 -1.824 1085 HG11 VAL 135 HG11 VAL 135 3.658 1.193 -3.523 1086 HG12 VAL 135 HG12 VAL 135 2.670 -0.202 -3.089 1087 HG13 VAL 135 HG13 VAL 135 4.322 -0.069 -2.484 1088 HG21 VAL 135 HG21 VAL 135 3.096 -0.406 -0.132 1089 HG22 VAL 135 HG22 VAL 135 1.584 -0.387 -1.041 1090 HG23 VAL 135 HG23 VAL 135 1.830 0.751 0.281 1091 H HIS 136 H HIS 136 6.297 1.839 -1.953 1092 HA HIS 136 HA HIS 136 6.610 4.498 -2.957 1093 HB2 HIS 136 HB2 HIS 136 8.505 2.959 -2.358 1094 HB3 HIS 136 HB3 HIS 136 8.113 1.994 -3.768 1095 HD2 HIS 136 HD2 HIS 136 9.902 5.330 -2.869 1096 HE1 HIS 136 HE1 HIS 136 9.921 5.009 -7.078 1097 HE2 HIS 136 HE2 HIS 136 10.822 6.324 -5.100 1098 H ASN 137 H ASN 137 6.306 5.292 -5.031 1099 HA ASN 137 HA ASN 137 5.048 3.474 -7.006 1100 HB2 ASN 137 HB2 ASN 137 3.404 5.037 -5.904 1101 HB3 ASN 137 HB3 ASN 137 4.288 6.373 -6.627 1102 HD21 ASN 137 HD21 ASN 137 1.478 5.253 -7.190 1103 HD22 ASN 137 HD22 ASN 137 1.465 5.011 -8.869 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 4.097 0.067 -6.053 2 H2 GLU 1 HT2 GLU 1 3.454 -1.286 -6.856 3 H3 GLU 1 HT3 GLU 1 2.463 -0.339 -5.851 4 HA GLU 1 HA GLU 1 2.940 1.578 -7.393 5 HB2 GLU 1 HB2 GLU 1 4.899 0.329 -8.445 6 HB3 GLU 1 HB3 GLU 1 3.698 -0.652 -9.288 7 HG2 GLU 1 HG2 GLU 1 2.709 1.390 -10.268 8 HG3 GLU 1 HG3 GLU 1 3.921 2.368 -9.444 9 H ALA 2 H ALA 2 1.519 -1.593 -7.317 10 HA ALA 2 HA ALA 2 -0.909 -0.533 -8.615 11 HB1 ALA 2 HB1 ALA 2 -0.087 -3.387 -9.017 12 HB2 ALA 2 HB2 ALA 2 0.571 -2.122 -10.056 13 HB3 ALA 2 HB3 ALA 2 -1.168 -2.391 -9.989 14 H LEU 3 H LEU 3 -2.778 -0.991 -7.581 15 HA LEU 3 HA LEU 3 -2.688 -2.900 -5.318 16 HB2 LEU 3 HB2 LEU 3 -3.865 -0.138 -5.548 17 HB3 LEU 3 HB3 LEU 3 -4.633 -1.305 -4.479 18 HG LEU 3 HG LEU 3 -3.028 0.096 -3.224 19 HD11 LEU 3 HD11 LEU 3 -1.913 -1.603 -2.028 20 HD12 LEU 3 HD12 LEU 3 -1.820 -2.649 -3.446 21 HD13 LEU 3 HD13 LEU 3 -3.374 -2.346 -2.678 22 HD21 LEU 3 HD21 LEU 3 -0.741 -1.133 -4.778 23 HD22 LEU 3 HD22 LEU 3 -0.729 0.294 -3.747 24 HD23 LEU 3 HD23 LEU 3 -1.500 0.359 -5.332 25 H THR 4 H THR 4 -4.379 -4.359 -5.139 26 HA THR 4 HA THR 4 -5.867 -4.939 -7.485 27 HB THR 4 HB THR 4 -7.073 -6.590 -6.110 28 HG1 THR 4 HG1 THR 4 -5.679 -5.340 -3.978 29 HG21 THR 4 HG21 THR 4 -4.098 -6.375 -5.591 30 HG22 THR 4 HG22 THR 4 -4.890 -7.245 -6.905 31 HG23 THR 4 HG23 THR 4 -5.057 -7.813 -5.245 32 H GLY 5 H GLY 5 -8.215 -4.943 -7.737 33 HA2 GLY 5 HA2 GLY 5 -9.333 -2.427 -7.462 34 HA3 GLY 5 HA3 GLY 5 -10.237 -3.880 -7.840 35 H ASP 6 H ASP 6 -9.809 -5.297 -5.451 36 HA ASP 6 HA ASP 6 -11.870 -4.183 -3.816 37 HB2 ASP 6 HB2 ASP 6 -10.050 -6.558 -3.427 38 HB3 ASP 6 HB3 ASP 6 -11.295 -6.088 -2.267 39 H ALA 7 H ALA 7 -8.402 -3.968 -3.698 40 HA ALA 7 HA ALA 7 -8.025 -3.398 -0.967 41 HB1 ALA 7 HB1 ALA 7 -5.954 -2.128 -1.879 42 HB2 ALA 7 HB2 ALA 7 -6.445 -2.769 -3.442 43 HB3 ALA 7 HB3 ALA 7 -6.056 -3.869 -2.123 44 H LEU 8 H LEU 8 -7.416 -1.306 -0.001 45 HA LEU 8 HA LEU 8 -8.887 0.973 -1.185 46 HB2 LEU 8 HB2 LEU 8 -9.511 1.686 1.102 47 HB3 LEU 8 HB3 LEU 8 -10.257 0.164 0.635 48 HG LEU 8 HG LEU 8 -7.609 0.051 2.099 49 HD11 LEU 8 HD11 LEU 8 -8.936 1.658 3.419 50 HD12 LEU 8 HD12 LEU 8 -8.755 0.127 4.278 51 HD13 LEU 8 HD13 LEU 8 -10.276 0.511 3.472 52 HD21 LEU 8 HD21 LEU 8 -10.113 -1.652 1.914 53 HD22 LEU 8 HD22 LEU 8 -8.873 -1.964 3.126 54 HD23 LEU 8 HD23 LEU 8 -8.478 -2.078 1.414 55 H ILE 9 H ILE 9 -8.053 3.022 -0.878 56 HA ILE 9 HA ILE 9 -5.341 3.209 0.249 57 HB ILE 9 HB ILE 9 -6.326 4.492 -2.331 58 HG12 ILE 9 HG12 ILE 9 -4.106 2.457 -1.946 59 HG13 ILE 9 HG13 ILE 9 -5.761 1.986 -2.310 60 HG21 ILE 9 HG21 ILE 9 -3.496 4.527 -1.224 61 HG22 ILE 9 HG22 ILE 9 -4.636 5.828 -0.888 62 HG23 ILE 9 HG23 ILE 9 -4.154 5.488 -2.546 63 HD11 ILE 9 HD11 ILE 9 -4.274 3.981 -4.030 64 HD12 ILE 9 HD12 ILE 9 -5.713 3.047 -4.441 65 HD13 ILE 9 HD13 ILE 9 -4.148 2.244 -4.316 66 H LEU 10 H LEU 10 -4.834 5.031 1.394 67 HA LEU 10 HA LEU 10 -6.951 6.541 2.546 68 HB2 LEU 10 HB2 LEU 10 -3.947 6.880 2.567 69 HB3 LEU 10 HB3 LEU 10 -5.045 7.942 3.450 70 HG LEU 10 HG LEU 10 -5.087 4.931 3.796 71 HD11 LEU 10 HD11 LEU 10 -2.837 6.004 4.365 72 HD12 LEU 10 HD12 LEU 10 -3.635 5.163 5.695 73 HD13 LEU 10 HD13 LEU 10 -3.689 6.924 5.606 74 HD21 LEU 10 HD21 LEU 10 -6.200 7.323 5.303 75 HD22 LEU 10 HD22 LEU 10 -6.082 5.733 6.048 76 HD23 LEU 10 HD23 LEU 10 -7.093 5.965 4.624 77 H SER 11 H SER 11 -7.688 8.561 2.099 78 HA SER 11 HA SER 11 -6.434 10.088 -0.066 79 HB2 SER 11 HB2 SER 11 -8.589 10.486 -1.105 80 HB3 SER 11 HB3 SER 11 -8.256 8.758 -1.043 81 HG SER 11 HG SER 11 -9.916 8.517 0.235 82 H ASP 12 H ASP 12 -7.979 12.251 -0.233 83 HA ASP 12 HA ASP 12 -7.246 13.793 1.948 84 HB2 ASP 12 HB2 ASP 12 -8.806 15.505 1.077 85 HB3 ASP 12 HB3 ASP 12 -7.830 14.789 -0.200 86 H ARG 13 H ARG 13 -10.347 12.160 1.340 87 HA ARG 13 HA ARG 13 -11.603 13.175 3.722 88 HB2 ARG 13 HB2 ARG 13 -12.789 12.328 1.618 89 HB3 ARG 13 HB3 ARG 13 -12.447 10.704 2.221 90 HG2 ARG 13 HG2 ARG 13 -13.525 11.744 4.489 91 HG3 ARG 13 HG3 ARG 13 -14.318 12.792 3.314 92 HD2 ARG 13 HD2 ARG 13 -15.745 10.888 3.714 93 HD3 ARG 13 HD3 ARG 13 -15.073 10.733 2.091 94 HE ARG 13 HE ARG 13 -13.858 8.869 2.809 95 HH11 ARG 13 HH11 ARG 13 -15.189 10.536 5.607 96 HH12 ARG 13 HH12 ARG 13 -14.751 9.283 6.717 97 HH21 ARG 13 HH21 ARG 13 -13.299 7.255 4.301 98 HH22 ARG 13 HH22 ARG 13 -13.686 7.437 5.980 99 H GLY 14 H GLY 14 -9.764 10.279 2.880 100 HA2 GLY 14 HA2 GLY 14 -8.593 9.442 5.067 101 HA3 GLY 14 HA3 GLY 14 -10.255 9.093 5.535 102 H TRP 15 H TRP 15 -9.866 6.838 5.648 103 HA TRP 15 HA TRP 15 -8.740 5.269 3.554 104 HB2 TRP 15 HB2 TRP 15 -10.342 4.727 6.028 105 HB3 TRP 15 HB3 TRP 15 -10.308 3.458 4.813 106 HD1 TRP 15 HD1 TRP 15 -7.475 3.234 3.858 107 HE1 TRP 15 HE1 TRP 15 -5.493 2.712 5.427 108 HE3 TRP 15 HE3 TRP 15 -9.474 4.696 8.328 109 HZ2 TRP 15 HZ2 TRP 15 -4.846 2.889 8.207 110 HZ3 TRP 15 HZ3 TRP 15 -8.152 4.505 10.419 111 HH2 TRP 15 HH2 TRP 15 -5.843 3.604 10.362 112 H LEU 16 H LEU 16 -9.531 5.012 1.570 113 HA LEU 16 HA LEU 16 -12.372 4.387 1.250 114 HB2 LEU 16 HB2 LEU 16 -11.284 6.934 0.494 115 HB3 LEU 16 HB3 LEU 16 -11.631 6.069 -0.992 116 HG LEU 16 HG LEU 16 -13.579 7.415 -0.314 117 HD11 LEU 16 HD11 LEU 16 -13.837 5.047 -1.322 118 HD12 LEU 16 HD12 LEU 16 -15.262 5.794 -0.603 119 HD13 LEU 16 HD13 LEU 16 -14.365 4.566 0.289 120 HD21 LEU 16 HD21 LEU 16 -14.677 7.224 1.785 121 HD22 LEU 16 HD22 LEU 16 -12.963 7.225 2.200 122 HD23 LEU 16 HD23 LEU 16 -13.862 5.708 2.171 123 H ARG 17 H ARG 17 -12.856 3.433 -0.893 124 HA ARG 17 HA ARG 17 -11.181 1.314 -1.525 125 HB2 ARG 17 HB2 ARG 17 -13.694 1.906 -2.216 126 HB3 ARG 17 HB3 ARG 17 -12.910 2.460 -3.684 127 HG2 ARG 17 HG2 ARG 17 -12.989 0.301 -4.410 128 HG3 ARG 17 HG3 ARG 17 -11.690 -0.044 -3.281 129 HD2 ARG 17 HD2 ARG 17 -14.348 -0.077 -1.978 130 HD3 ARG 17 HD3 ARG 17 -14.210 -1.229 -3.295 131 HE ARG 17 HE ARG 17 -11.942 -1.741 -1.938 132 HH11 ARG 17 HH11 ARG 17 -15.252 -1.355 -0.816 133 HH12 ARG 17 HH12 ARG 17 -15.036 -2.391 0.555 134 HH21 ARG 17 HH21 ARG 17 -11.696 -3.052 -0.106 135 HH22 ARG 17 HH22 ARG 17 -13.036 -3.342 0.951 136 H ILE 18 H ILE 18 -9.743 0.894 -3.206 137 HA ILE 18 HA ILE 18 -7.819 2.794 -3.864 138 HB ILE 18 HB ILE 18 -7.173 1.239 -5.736 139 HG12 ILE 18 HG12 ILE 18 -8.563 -1.099 -5.329 140 HG13 ILE 18 HG13 ILE 18 -9.850 0.031 -5.003 141 HG21 ILE 18 HG21 ILE 18 -7.349 0.528 -2.855 142 HG22 ILE 18 HG22 ILE 18 -5.958 0.651 -3.920 143 HG23 ILE 18 HG23 ILE 18 -6.953 -0.794 -3.955 144 HD11 ILE 18 HD11 ILE 18 -8.915 1.134 -7.290 145 HD12 ILE 18 HD12 ILE 18 -10.114 -0.158 -7.265 146 HD13 ILE 18 HD13 ILE 18 -8.418 -0.538 -7.529 147 H ASP 19 H ASP 19 -10.791 1.981 -5.565 148 HA ASP 19 HA ASP 19 -10.060 3.746 -7.793 149 HB2 ASP 19 HB2 ASP 19 -11.899 2.742 -9.006 150 HB3 ASP 19 HB3 ASP 19 -10.970 1.478 -8.244 151 H ASP 20 H ASP 20 -11.091 4.486 -4.913 152 HA ASP 20 HA ASP 20 -13.575 5.797 -5.292 153 HB2 ASP 20 HB2 ASP 20 -12.697 5.035 -3.085 154 HB3 ASP 20 HB3 ASP 20 -11.555 6.378 -3.131 155 HA PRO 21 HA PRO 21 -12.355 9.590 -7.422 156 HB2 PRO 21 HB2 PRO 21 -14.381 10.890 -5.656 157 HB3 PRO 21 HB3 PRO 21 -14.190 10.979 -7.421 158 HG2 PRO 21 HG2 PRO 21 -16.104 9.515 -6.403 159 HG3 PRO 21 HG3 PRO 21 -15.146 8.894 -7.761 160 HD2 PRO 21 HD2 PRO 21 -14.971 8.166 -4.855 161 HD3 PRO 21 HD3 PRO 21 -14.839 7.124 -6.295 162 H THR 22 H THR 22 -12.438 9.379 -3.899 163 HA THR 22 HA THR 22 -11.335 11.902 -3.277 164 HB THR 22 HB THR 22 -10.664 10.889 -1.124 165 HG1 THR 22 HG1 THR 22 -10.186 8.807 -2.057 166 HG21 THR 22 HG21 THR 22 -12.857 11.717 -1.203 167 HG22 THR 22 HG22 THR 22 -13.004 10.101 -0.513 168 HG23 THR 22 HG23 THR 22 -13.428 10.380 -2.205 169 H LEU 23 H LEU 23 -9.732 8.798 -4.033 170 HA LEU 23 HA LEU 23 -7.150 10.094 -3.650 171 HB2 LEU 23 HB2 LEU 23 -6.096 7.993 -3.919 172 HB3 LEU 23 HB3 LEU 23 -7.470 7.752 -2.858 173 HG LEU 23 HG LEU 23 -8.047 7.308 -5.769 174 HD11 LEU 23 HD11 LEU 23 -5.642 6.313 -5.140 175 HD12 LEU 23 HD12 LEU 23 -6.762 5.468 -6.189 176 HD13 LEU 23 HD13 LEU 23 -6.630 5.002 -4.495 177 HD21 LEU 23 HD21 LEU 23 -9.383 5.466 -4.900 178 HD22 LEU 23 HD22 LEU 23 -9.648 6.859 -3.855 179 HD23 LEU 23 HD23 LEU 23 -8.574 5.562 -3.337 180 H GLN 24 H GLN 24 -9.232 9.145 -6.309 181 HA GLN 24 HA GLN 24 -7.252 9.490 -8.356 182 HB2 GLN 24 HB2 GLN 24 -10.259 9.346 -8.438 183 HB3 GLN 24 HB3 GLN 24 -9.324 9.744 -9.874 184 HG2 GLN 24 HG2 GLN 24 -9.360 7.474 -10.147 185 HG3 GLN 24 HG3 GLN 24 -7.958 7.535 -9.082 186 HE21 GLN 24 HE21 GLN 24 -8.156 5.848 -7.620 187 HE22 GLN 24 HE22 GLN 24 -9.591 5.420 -6.824 188 H GLU 25 H GLU 25 -9.664 11.677 -6.923 189 HA GLU 25 HA GLU 25 -8.643 13.845 -8.661 190 HB2 GLU 25 HB2 GLU 25 -11.340 13.448 -7.382 191 HB3 GLU 25 HB3 GLU 25 -10.845 14.956 -8.151 192 HG2 GLU 25 HG2 GLU 25 -10.512 13.850 -10.277 193 HG3 GLU 25 HG3 GLU 25 -10.758 12.266 -9.550 194 H CYS 26 H CYS 26 -8.636 12.907 -5.341 195 HA CYS 26 HA CYS 26 -7.933 15.681 -4.613 196 HB2 CYS 26 HB2 CYS 26 -9.447 13.742 -2.835 197 HB3 CYS 26 HB3 CYS 26 -8.853 15.326 -2.374 198 HG CYS 26 HG CYS 26 -10.432 16.282 -4.355 199 H ARG 27 H ARG 27 -6.769 15.725 -2.467 200 HA ARG 27 HA ARG 27 -4.221 14.764 -2.885 201 HB2 ARG 27 HB2 ARG 27 -5.632 15.799 -0.444 202 HB3 ARG 27 HB3 ARG 27 -3.968 15.248 -0.354 203 HG2 ARG 27 HG2 ARG 27 -3.189 17.180 -1.252 204 HG3 ARG 27 HG3 ARG 27 -4.208 17.011 -2.673 205 HD2 ARG 27 HD2 ARG 27 -4.644 19.129 -1.436 206 HD3 ARG 27 HD3 ARG 27 -6.070 18.100 -1.512 207 HE ARG 27 HE ARG 27 -4.809 17.442 0.870 208 HH11 ARG 27 HH11 ARG 27 -6.169 20.367 -0.523 209 HH12 ARG 27 HH12 ARG 27 -6.583 21.052 1.012 210 HH21 ARG 27 HH21 ARG 27 -5.362 18.377 2.856 211 HH22 ARG 27 HH22 ARG 27 -6.128 19.930 2.912 212 H VAL 28 H VAL 28 -3.027 13.116 -2.241 213 HA VAL 28 HA VAL 28 -4.283 10.943 -0.669 214 HB VAL 28 HB VAL 28 -4.132 10.297 -3.045 215 HG11 VAL 28 HG11 VAL 28 -1.827 9.998 -4.038 216 HG12 VAL 28 HG12 VAL 28 -1.208 10.971 -2.701 217 HG13 VAL 28 HG13 VAL 28 -2.358 11.668 -3.845 218 HG21 VAL 28 HG21 VAL 28 -2.569 8.268 -2.737 219 HG22 VAL 28 HG22 VAL 28 -3.869 8.442 -1.564 220 HG23 VAL 28 HG23 VAL 28 -2.227 8.916 -1.133 221 H LEU 29 H LEU 29 -2.993 9.930 0.880 222 HA LEU 29 HA LEU 29 -0.923 11.529 1.998 223 HB2 LEU 29 HB2 LEU 29 -1.954 8.790 2.739 224 HB3 LEU 29 HB3 LEU 29 -0.696 9.625 3.647 225 HG LEU 29 HG LEU 29 -3.412 10.853 3.077 226 HD11 LEU 29 HD11 LEU 29 -2.539 9.631 5.708 227 HD12 LEU 29 HD12 LEU 29 -3.419 8.697 4.502 228 HD13 LEU 29 HD13 LEU 29 -4.156 10.130 5.216 229 HD21 LEU 29 HD21 LEU 29 -1.787 12.542 3.624 230 HD22 LEU 29 HD22 LEU 29 -1.074 11.545 4.892 231 HD23 LEU 29 HD23 LEU 29 -2.676 12.243 5.118 232 H SER 30 H SER 30 1.215 11.321 2.132 233 HA SER 30 HA SER 30 2.651 8.985 1.200 234 HB2 SER 30 HB2 SER 30 2.230 10.122 -0.943 235 HB3 SER 30 HB3 SER 30 2.898 11.613 -0.290 236 HG SER 30 HG SER 30 4.856 10.816 -0.501 237 H TYR 31 H TYR 31 4.936 9.104 1.724 238 HA TYR 31 HA TYR 31 5.456 10.821 4.027 239 HB2 TYR 31 HB2 TYR 31 6.069 8.363 3.976 240 HB3 TYR 31 HB3 TYR 31 7.280 8.766 2.758 241 HD1 TYR 31 HD1 TYR 31 6.285 9.202 6.295 242 HD2 TYR 31 HD2 TYR 31 9.288 10.008 3.329 243 HE1 TYR 31 HE1 TYR 31 7.866 9.894 8.079 244 HE2 TYR 31 HE2 TYR 31 10.866 10.695 5.113 245 HH TYR 31 HH TYR 31 9.860 11.234 8.353 246 H ASN 32 H ASN 32 6.173 12.824 3.691 247 HA ASN 32 HA ASN 32 7.661 13.389 1.263 248 HB2 ASN 32 HB2 ASN 32 6.127 14.976 3.225 249 HB3 ASN 32 HB3 ASN 32 7.583 15.768 2.628 250 HD21 ASN 32 HD21 ASN 32 7.197 16.977 0.777 251 HD22 ASN 32 HD22 ASN 32 6.025 16.618 -0.401 252 H GLU 33 H GLU 33 9.376 11.992 1.913 253 HA GLU 33 HA GLU 33 11.068 12.342 4.096 254 HB2 GLU 33 HB2 GLU 33 12.856 11.364 2.620 255 HB3 GLU 33 HB3 GLU 33 11.360 10.433 2.643 256 HG2 GLU 33 HG2 GLU 33 10.650 11.434 0.540 257 HG3 GLU 33 HG3 GLU 33 12.086 12.463 0.502 258 H SER 34 H SER 34 10.571 14.392 1.359 259 HA SER 34 HA SER 34 12.987 15.864 1.342 260 HB2 SER 34 HB2 SER 34 11.324 16.029 -0.463 261 HB3 SER 34 HB3 SER 34 10.161 16.722 0.664 262 HG SER 34 HG SER 34 11.663 18.447 0.972 263 H THR 35 H THR 35 9.935 16.209 3.129 264 HA THR 35 HA THR 35 11.115 18.341 4.791 265 HB THR 35 HB THR 35 8.802 18.737 5.578 266 HG1 THR 35 HG1 THR 35 7.154 17.621 4.358 267 HG21 THR 35 HG21 THR 35 7.950 19.669 3.483 268 HG22 THR 35 HG22 THR 35 9.058 18.652 2.561 269 HG23 THR 35 HG23 THR 35 9.691 19.929 3.600 270 H GLN 36 H GLN 36 10.740 15.002 4.888 271 HA GLN 36 HA GLN 36 10.977 13.415 6.505 272 HB2 GLN 36 HB2 GLN 36 11.967 15.781 8.123 273 HB3 GLN 36 HB3 GLN 36 12.128 14.095 8.611 274 HG2 GLN 36 HG2 GLN 36 13.419 13.625 6.555 275 HG3 GLN 36 HG3 GLN 36 13.268 15.315 6.077 276 HE21 GLN 36 HE21 GLN 36 15.347 16.170 6.364 277 HE22 GLN 36 HE22 GLN 36 16.254 16.023 7.791 278 H GLN 37 H GLN 37 8.398 14.484 6.150 279 HA GLN 37 HA GLN 37 7.162 13.639 8.607 280 HB2 GLN 37 HB2 GLN 37 5.859 15.695 9.014 281 HB3 GLN 37 HB3 GLN 37 7.588 15.976 9.201 282 HG2 GLN 37 HG2 GLN 37 7.622 16.817 6.813 283 HG3 GLN 37 HG3 GLN 37 5.863 16.722 6.821 284 HE21 GLN 37 HE21 GLN 37 4.776 18.544 7.611 285 HE22 GLN 37 HE22 GLN 37 5.506 19.786 8.509 286 H TRP 38 H TRP 38 4.720 13.646 8.435 287 HA TRP 38 HA TRP 38 3.923 12.504 5.938 288 HB2 TRP 38 HB2 TRP 38 2.412 13.301 8.425 289 HB3 TRP 38 HB3 TRP 38 1.568 12.742 6.987 290 HD1 TRP 38 HD1 TRP 38 3.128 11.494 10.053 291 HE1 TRP 38 HE1 TRP 38 3.450 8.940 9.938 292 HE3 TRP 38 HE3 TRP 38 2.357 10.737 5.064 293 HZ2 TRP 38 HZ2 TRP 38 3.407 6.852 7.976 294 HZ3 TRP 38 HZ3 TRP 38 2.508 8.460 4.095 295 HH2 TRP 38 HH2 TRP 38 3.033 6.517 5.540 296 H GLU 39 H GLU 39 2.965 13.372 4.214 297 HA GLU 39 HA GLU 39 1.759 16.029 4.396 298 HB2 GLU 39 HB2 GLU 39 3.962 15.363 2.434 299 HB3 GLU 39 HB3 GLU 39 2.988 16.830 2.399 300 HG2 GLU 39 HG2 GLU 39 4.764 15.963 4.709 301 HG3 GLU 39 HG3 GLU 39 5.174 17.200 3.527 302 H TRP 40 H TRP 40 0.283 16.502 2.753 303 HA TRP 40 HA TRP 40 -0.776 14.139 1.384 304 HB2 TRP 40 HB2 TRP 40 -1.908 16.706 2.348 305 HB3 TRP 40 HB3 TRP 40 -2.508 16.226 0.771 306 HD1 TRP 40 HD1 TRP 40 -3.223 13.421 0.764 307 HE1 TRP 40 HE1 TRP 40 -4.750 12.259 2.483 308 HE3 TRP 40 HE3 TRP 40 -2.841 16.714 4.651 309 HZ2 TRP 40 HZ2 TRP 40 -5.688 12.668 5.146 310 HZ3 TRP 40 HZ3 TRP 40 -4.065 16.301 6.769 311 HH2 TRP 40 HH2 TRP 40 -5.488 14.283 7.021 312 H GLN 41 H GLN 41 -0.214 13.730 -0.603 313 HA GLN 41 HA GLN 41 0.873 15.870 -2.296 314 HB2 GLN 41 HB2 GLN 41 0.969 12.866 -2.595 315 HB3 GLN 41 HB3 GLN 41 1.673 14.024 -3.716 316 HG2 GLN 41 HG2 GLN 41 2.409 13.775 -0.778 317 HG3 GLN 41 HG3 GLN 41 3.364 13.132 -2.111 318 HE21 GLN 41 HE21 GLN 41 3.377 15.666 -0.024 319 HE22 GLN 41 HE22 GLN 41 4.077 16.862 -1.004 320 H GLN 42 H GLN 42 0.128 16.169 -4.432 321 HA GLN 42 HA GLN 42 -2.697 15.635 -4.692 322 HB2 GLN 42 HB2 GLN 42 -1.323 17.837 -5.293 323 HB3 GLN 42 HB3 GLN 42 -1.115 17.008 -6.836 324 HG2 GLN 42 HG2 GLN 42 -3.804 17.451 -5.512 325 HG3 GLN 42 HG3 GLN 42 -3.129 18.514 -6.747 326 HE21 GLN 42 HE21 GLN 42 -5.032 15.767 -6.263 327 HE22 GLN 42 HE22 GLN 42 -4.994 15.149 -7.832 328 H VAL 43 H VAL 43 -3.582 14.076 -5.894 329 HA VAL 43 HA VAL 43 -2.016 12.135 -7.175 330 HB VAL 43 HB VAL 43 -4.100 11.496 -6.091 331 HG11 VAL 43 HG11 VAL 43 -5.351 13.607 -6.343 332 HG12 VAL 43 HG12 VAL 43 -6.299 12.256 -6.909 333 HG13 VAL 43 HG13 VAL 43 -5.526 13.311 -8.071 334 HG21 VAL 43 HG21 VAL 43 -4.738 11.257 -9.024 335 HG22 VAL 43 HG22 VAL 43 -4.912 10.042 -7.756 336 HG23 VAL 43 HG23 VAL 43 -3.316 10.471 -8.357 337 H LEU 44 H LEU 44 -1.029 12.460 -8.990 338 HA LEU 44 HA LEU 44 -1.523 14.473 -10.896 339 HB2 LEU 44 HB2 LEU 44 -0.028 11.868 -11.117 340 HB3 LEU 44 HB3 LEU 44 -0.000 13.129 -12.345 341 HG LEU 44 HG LEU 44 0.816 13.582 -9.463 342 HD11 LEU 44 HD11 LEU 44 2.432 12.896 -11.928 343 HD12 LEU 44 HD12 LEU 44 2.318 11.970 -10.434 344 HD13 LEU 44 HD13 LEU 44 3.145 13.533 -10.440 345 HD21 LEU 44 HD21 LEU 44 0.266 15.673 -10.487 346 HD22 LEU 44 HD22 LEU 44 0.982 15.199 -12.029 347 HD23 LEU 44 HD23 LEU 44 2.019 15.553 -10.645 348 H ARG 45 H ARG 45 -2.321 10.977 -10.913 349 HA ARG 45 HA ARG 45 -4.590 11.298 -12.648 350 HB2 ARG 45 HB2 ARG 45 -2.742 11.723 -14.245 351 HB3 ARG 45 HB3 ARG 45 -2.071 10.137 -13.885 352 HG2 ARG 45 HG2 ARG 45 -4.186 9.090 -14.699 353 HG3 ARG 45 HG3 ARG 45 -4.825 10.693 -15.065 354 HD2 ARG 45 HD2 ARG 45 -2.313 9.505 -16.277 355 HD3 ARG 45 HD3 ARG 45 -3.881 9.577 -17.075 356 HE ARG 45 HE ARG 45 -2.026 11.784 -16.677 357 HH11 ARG 45 HH11 ARG 45 -5.362 10.905 -17.355 358 HH12 ARG 45 HH12 ARG 45 -5.739 12.425 -18.093 359 HH21 ARG 45 HH21 ARG 45 -2.562 13.752 -17.653 360 HH22 ARG 45 HH22 ARG 45 -4.160 14.027 -18.260 361 H TRP 46 H TRP 46 -5.718 9.337 -13.054 362 HA TRP 46 HA TRP 46 -5.015 7.103 -11.251 363 HB2 TRP 46 HB2 TRP 46 -7.286 8.142 -11.074 364 HB3 TRP 46 HB3 TRP 46 -7.606 7.661 -12.736 365 HD1 TRP 46 HD1 TRP 46 -6.259 5.740 -9.614 366 HE1 TRP 46 HE1 TRP 46 -7.553 3.537 -9.402 367 HE3 TRP 46 HE3 TRP 46 -9.381 6.161 -13.638 368 HZ2 TRP 46 HZ2 TRP 46 -9.614 2.124 -10.752 369 HZ3 TRP 46 HZ3 TRP 46 -11.005 4.352 -14.145 370 HH2 TRP 46 HH2 TRP 46 -11.117 2.333 -12.698 371 H LEU 47 H LEU 47 -3.914 5.475 -12.167 372 HA LEU 47 HA LEU 47 -4.324 4.901 -15.040 373 HB2 LEU 47 HB2 LEU 47 -1.946 4.215 -13.273 374 HB3 LEU 47 HB3 LEU 47 -2.107 3.755 -14.958 375 HG LEU 47 HG LEU 47 -0.665 5.691 -14.850 376 HD11 LEU 47 HD11 LEU 47 -1.727 7.230 -16.327 377 HD12 LEU 47 HD12 LEU 47 -3.333 6.799 -15.738 378 HD13 LEU 47 HD13 LEU 47 -2.399 5.638 -16.683 379 HD21 LEU 47 HD21 LEU 47 -2.811 7.373 -13.552 380 HD22 LEU 47 HD22 LEU 47 -1.078 7.677 -13.656 381 HD23 LEU 47 HD23 LEU 47 -1.688 6.431 -12.570 382 H ASP 48 H ASP 48 -5.238 3.057 -15.641 383 HA ASP 48 HA ASP 48 -5.919 1.030 -13.615 384 HB2 ASP 48 HB2 ASP 48 -6.736 1.213 -16.532 385 HB3 ASP 48 HB3 ASP 48 -7.437 0.165 -15.303 386 H GLN 49 H GLN 49 -4.122 -0.253 -13.289 387 HA GLN 49 HA GLN 49 -2.274 -1.012 -15.296 388 HB2 GLN 49 HB2 GLN 49 -2.857 -2.035 -12.537 389 HB3 GLN 49 HB3 GLN 49 -1.679 -2.857 -13.566 390 HG2 GLN 49 HG2 GLN 49 -0.338 -1.333 -12.404 391 HG3 GLN 49 HG3 GLN 49 -0.696 -0.422 -13.866 392 HE21 GLN 49 HE21 GLN 49 -2.333 -1.009 -10.696 393 HE22 GLN 49 HE22 GLN 49 -2.736 0.617 -10.450 394 H GLY 50 H GLY 50 -5.191 -2.611 -14.090 395 HA2 GLY 50 HA2 GLY 50 -6.545 -4.052 -15.405 396 HA3 GLY 50 HA3 GLY 50 -5.173 -4.336 -16.472 397 H VAL 51 H VAL 51 -5.357 -6.590 -16.379 398 HA VAL 51 HA VAL 51 -5.448 -8.032 -13.902 399 HB VAL 51 HB VAL 51 -5.061 -10.044 -15.294 400 HG11 VAL 51 HG11 VAL 51 -7.107 -9.884 -16.599 401 HG12 VAL 51 HG12 VAL 51 -7.029 -8.122 -16.558 402 HG13 VAL 51 HG13 VAL 51 -7.323 -9.025 -15.073 403 HG21 VAL 51 HG21 VAL 51 -4.986 -9.667 -17.818 404 HG22 VAL 51 HG22 VAL 51 -3.505 -9.252 -16.960 405 HG23 VAL 51 HG23 VAL 51 -4.609 -7.979 -17.478 406 H ARG 52 H ARG 52 -3.847 -8.360 -12.519 407 HA ARG 52 HA ARG 52 -1.156 -8.933 -13.431 408 HB2 ARG 52 HB2 ARG 52 -1.219 -6.445 -13.339 409 HB3 ARG 52 HB3 ARG 52 -1.623 -6.538 -11.625 410 HG2 ARG 52 HG2 ARG 52 0.482 -7.659 -11.137 411 HG3 ARG 52 HG3 ARG 52 0.870 -7.755 -12.857 412 HD2 ARG 52 HD2 ARG 52 0.471 -5.166 -11.331 413 HD3 ARG 52 HD3 ARG 52 2.040 -5.874 -11.701 414 HE ARG 52 HE ARG 52 0.647 -5.661 -14.123 415 HH11 ARG 52 HH11 ARG 52 1.915 -3.478 -11.678 416 HH12 ARG 52 HH12 ARG 52 2.173 -2.181 -12.796 417 HH21 ARG 52 HH21 ARG 52 1.008 -3.943 -15.550 418 HH22 ARG 52 HH22 ARG 52 1.661 -2.445 -14.976 419 H GLU 53 H GLU 53 0.005 -10.121 -12.023 420 HA GLU 53 HA GLU 53 -1.254 -11.637 -9.992 421 HB2 GLU 53 HB2 GLU 53 0.785 -12.289 -11.330 422 HB3 GLU 53 HB3 GLU 53 1.715 -11.164 -10.345 423 HG2 GLU 53 HG2 GLU 53 1.071 -12.400 -8.308 424 HG3 GLU 53 HG3 GLU 53 0.118 -13.504 -9.287 425 H THR 54 H THR 54 -1.283 -11.431 -7.708 426 HA THR 54 HA THR 54 0.117 -9.054 -6.628 427 HB THR 54 HB THR 54 -2.206 -8.373 -7.198 428 HG1 THR 54 HG1 THR 54 -2.312 -7.191 -5.436 429 HG21 THR 54 HG21 THR 54 -2.895 -10.817 -5.723 430 HG22 THR 54 HG22 THR 54 -3.894 -9.809 -6.769 431 HG23 THR 54 HG23 THR 54 -3.701 -9.390 -5.068 432 H TRP 55 H TRP 55 0.570 -8.953 -4.469 433 HA TRP 55 HA TRP 55 0.406 -11.485 -2.916 434 HB2 TRP 55 HB2 TRP 55 2.510 -9.326 -3.087 435 HB3 TRP 55 HB3 TRP 55 2.382 -10.348 -1.664 436 HD1 TRP 55 HD1 TRP 55 3.645 -12.527 -1.773 437 HE1 TRP 55 HE1 TRP 55 4.771 -13.891 -3.625 438 HE3 TRP 55 HE3 TRP 55 2.133 -9.898 -5.863 439 HZ2 TRP 55 HZ2 TRP 55 5.000 -13.904 -6.467 440 HZ3 TRP 55 HZ3 TRP 55 2.815 -10.611 -8.138 441 HH2 TRP 55 HH2 TRP 55 4.247 -12.612 -8.443 442 H LYS 56 H LYS 56 -0.731 -11.360 -1.034 443 HA LYS 56 HA LYS 56 -1.767 -8.763 -0.184 444 HB2 LYS 56 HB2 LYS 56 -3.392 -10.611 -0.412 445 HB3 LYS 56 HB3 LYS 56 -2.497 -11.550 0.780 446 HG2 LYS 56 HG2 LYS 56 -3.034 -9.964 2.560 447 HG3 LYS 56 HG3 LYS 56 -3.682 -8.808 1.407 448 HD2 LYS 56 HD2 LYS 56 -5.566 -9.890 2.424 449 HD3 LYS 56 HD3 LYS 56 -5.435 -10.554 0.796 450 HE2 LYS 56 HE2 LYS 56 -4.291 -12.539 1.666 451 HE3 LYS 56 HE3 LYS 56 -4.324 -11.869 3.298 452 HZ1 LYS 56 HZ1 LYS 56 -6.509 -12.976 1.692 453 HZ2 LYS 56 HZ2 LYS 56 -6.872 -11.714 2.772 454 HZ3 LYS 56 HZ3 LYS 56 -6.185 -13.157 3.346 455 H ILE 57 H ILE 57 -0.084 -7.770 0.810 456 HA ILE 57 HA ILE 57 1.383 -9.040 2.959 457 HB ILE 57 HB ILE 57 1.307 -6.057 2.314 458 HG12 ILE 57 HG12 ILE 57 3.747 -6.957 1.329 459 HG13 ILE 57 HG13 ILE 57 2.741 -8.350 0.968 460 HG21 ILE 57 HG21 ILE 57 3.456 -7.665 3.711 461 HG22 ILE 57 HG22 ILE 57 2.155 -6.844 4.573 462 HG23 ILE 57 HG23 ILE 57 3.303 -5.910 3.613 463 HD11 ILE 57 HD11 ILE 57 1.389 -7.148 -0.509 464 HD12 ILE 57 HD12 ILE 57 2.975 -6.416 -0.774 465 HD13 ILE 57 HD13 ILE 57 1.784 -5.594 0.232 466 H LYS 58 H LYS 58 0.434 -9.461 4.770 467 HA LYS 58 HA LYS 58 -1.819 -7.837 5.694 468 HB2 LYS 58 HB2 LYS 58 -2.027 -10.357 5.462 469 HB3 LYS 58 HB3 LYS 58 -0.880 -10.492 6.781 470 HG2 LYS 58 HG2 LYS 58 -2.357 -9.128 8.238 471 HG3 LYS 58 HG3 LYS 58 -3.532 -9.023 6.929 472 HD2 LYS 58 HD2 LYS 58 -3.631 -11.549 6.934 473 HD3 LYS 58 HD3 LYS 58 -2.633 -11.508 8.391 474 HE2 LYS 58 HE2 LYS 58 -5.316 -10.126 8.115 475 HE3 LYS 58 HE3 LYS 58 -5.058 -11.669 8.929 476 HZ1 LYS 58 HZ1 LYS 58 -4.872 -10.250 10.684 477 HZ2 LYS 58 HZ2 LYS 58 -4.261 -8.972 9.747 478 HZ3 LYS 58 HZ3 LYS 58 -3.251 -10.265 10.187 479 H THR 59 H THR 59 -1.813 -6.769 7.563 480 HA THR 59 HA THR 59 0.499 -6.990 9.386 481 HB THR 59 HB THR 59 0.661 -4.605 9.671 482 HG1 THR 59 HG1 THR 59 -0.731 -3.314 8.150 483 HG21 THR 59 HG21 THR 59 1.717 -5.732 7.587 484 HG22 THR 59 HG22 THR 59 1.619 -3.971 7.619 485 HG23 THR 59 HG23 THR 59 0.448 -4.900 6.681 486 H PHE 60 H PHE 60 0.049 -6.144 11.525 487 HA PHE 60 HA PHE 60 -2.286 -7.277 12.553 488 HB2 PHE 60 HB2 PHE 60 -0.171 -6.918 13.844 489 HB3 PHE 60 HB3 PHE 60 -0.538 -5.196 13.902 490 HD1 PHE 60 HD1 PHE 60 -1.678 -8.562 14.980 491 HD2 PHE 60 HD2 PHE 60 -2.215 -4.319 15.392 492 HE1 PHE 60 HE1 PHE 60 -3.129 -8.938 16.956 493 HE2 PHE 60 HE2 PHE 60 -3.665 -4.695 17.368 494 HZ PHE 60 HZ PHE 60 -4.123 -7.005 18.149 495 H GLN 61 H GLN 61 -1.524 -3.923 11.707 496 HA GLN 61 HA GLN 61 -4.068 -2.952 12.736 497 HB2 GLN 61 HB2 GLN 61 -1.872 -1.510 11.230 498 HB3 GLN 61 HB3 GLN 61 -3.279 -0.744 11.960 499 HG2 GLN 61 HG2 GLN 61 -2.549 -1.679 14.183 500 HG3 GLN 61 HG3 GLN 61 -1.076 -2.249 13.392 501 HE21 GLN 61 HE21 GLN 61 0.599 -0.847 13.898 502 HE22 GLN 61 HE22 GLN 61 0.475 0.853 13.914 503 H THR 62 H THR 62 -2.584 -3.669 9.600 504 HA THR 62 HA THR 62 -5.222 -3.367 8.324 505 HB THR 62 HB THR 62 -4.324 -2.012 6.484 506 HG1 THR 62 HG1 THR 62 -1.992 -1.788 8.069 507 HG21 THR 62 HG21 THR 62 -5.310 -0.962 8.564 508 HG22 THR 62 HG22 THR 62 -4.214 0.084 7.663 509 HG23 THR 62 HG23 THR 62 -3.662 -0.712 9.136 510 H GLU 63 H GLU 63 -4.913 -3.885 5.840 511 HA GLU 63 HA GLU 63 -2.926 -5.859 5.182 512 HB2 GLU 63 HB2 GLU 63 -4.465 -7.724 4.761 513 HB3 GLU 63 HB3 GLU 63 -4.559 -7.255 6.459 514 HG2 GLU 63 HG2 GLU 63 -6.591 -5.889 5.934 515 HG3 GLU 63 HG3 GLU 63 -6.499 -6.457 4.268 516 H ILE 64 H ILE 64 -2.767 -6.146 2.898 517 HA ILE 64 HA ILE 64 -4.790 -5.270 1.110 518 HB ILE 64 HB ILE 64 -4.106 -3.063 2.011 519 HG12 ILE 64 HG12 ILE 64 -3.167 -3.304 -0.850 520 HG13 ILE 64 HG13 ILE 64 -4.862 -3.513 -0.423 521 HG21 ILE 64 HG21 ILE 64 -1.418 -3.717 0.764 522 HG22 ILE 64 HG22 ILE 64 -1.745 -3.560 2.490 523 HG23 ILE 64 HG23 ILE 64 -1.881 -2.153 1.435 524 HD11 ILE 64 HD11 ILE 64 -3.341 -1.062 0.486 525 HD12 ILE 64 HD12 ILE 64 -5.083 -1.293 0.335 526 HD13 ILE 64 HD13 ILE 64 -4.095 -1.128 -1.107 527 H LYS 65 H LYS 65 -4.200 -5.468 -1.147 528 HA LYS 65 HA LYS 65 -1.790 -7.126 -1.500 529 HB2 LYS 65 HB2 LYS 65 -4.139 -7.320 -3.387 530 HB3 LYS 65 HB3 LYS 65 -2.850 -8.469 -3.042 531 HG2 LYS 65 HG2 LYS 65 -4.555 -9.501 -1.851 532 HG3 LYS 65 HG3 LYS 65 -3.909 -8.456 -0.599 533 HD2 LYS 65 HD2 LYS 65 -6.229 -8.048 -0.482 534 HD3 LYS 65 HD3 LYS 65 -5.632 -6.700 -1.445 535 HE2 LYS 65 HE2 LYS 65 -6.218 -7.954 -3.513 536 HE3 LYS 65 HE3 LYS 65 -6.881 -9.243 -2.515 537 HZ1 LYS 65 HZ1 LYS 65 -7.874 -6.497 -2.880 538 HZ2 LYS 65 HZ2 LYS 65 -8.248 -7.360 -1.465 539 HZ3 LYS 65 HZ3 LYS 65 -8.721 -7.962 -2.982 540 H CYS 66 H CYS 66 -0.363 -6.693 -3.057 541 HA CYS 66 HA CYS 66 -0.964 -4.656 -5.065 542 HB2 CYS 66 HB2 CYS 66 1.095 -3.410 -4.585 543 HB3 CYS 66 HB3 CYS 66 0.060 -3.434 -3.169 544 HG CYS 66 HG CYS 66 2.082 -4.337 -2.033 545 H THR 67 H THR 67 1.447 -4.396 -6.305 546 HA THR 67 HA THR 67 1.606 -6.590 -7.976 547 HB THR 67 HB THR 67 3.844 -4.640 -7.349 548 HG1 THR 67 HG1 THR 67 1.758 -4.566 -9.274 549 HG21 THR 67 HG21 THR 67 4.659 -5.153 -9.586 550 HG22 THR 67 HG22 THR 67 3.286 -6.220 -9.880 551 HG23 THR 67 HG23 THR 67 4.506 -6.662 -8.686 552 H GLY 68 H GLY 68 3.515 -5.933 -5.048 553 HA2 GLY 68 HA2 GLY 68 4.398 -7.569 -3.585 554 HA3 GLY 68 HA3 GLY 68 4.174 -8.786 -4.829 555 H ASN 69 H ASN 69 5.589 -6.532 -6.621 556 HA ASN 69 HA ASN 69 8.305 -7.505 -6.025 557 HB2 ASN 69 HB2 ASN 69 7.041 -6.603 -8.606 558 HB3 ASN 69 HB3 ASN 69 8.774 -6.897 -8.422 559 HD21 ASN 69 HD21 ASN 69 5.674 -8.449 -8.817 560 HD22 ASN 69 HD22 ASN 69 6.246 -10.046 -8.738 561 H HIS 70 H HIS 70 6.390 -4.645 -6.080 562 HA HIS 70 HA HIS 70 8.622 -2.814 -6.366 563 HB2 HIS 70 HB2 HIS 70 5.741 -2.356 -5.565 564 HB3 HIS 70 HB3 HIS 70 6.936 -1.073 -5.750 565 HD2 HIS 70 HD2 HIS 70 4.427 -2.905 -7.931 566 HE1 HIS 70 HE1 HIS 70 7.290 -1.326 -10.600 567 HE2 HIS 70 HE2 HIS 70 4.999 -2.406 -10.427 568 H LEU 71 H LEU 71 9.414 -1.437 -4.702 569 HA LEU 71 HA LEU 71 9.760 -2.793 -2.195 570 HB2 LEU 71 HB2 LEU 71 10.754 -0.185 -3.326 571 HB3 LEU 71 HB3 LEU 71 10.956 -0.558 -1.616 572 HG LEU 71 HG LEU 71 11.989 -2.780 -2.375 573 HD11 LEU 71 HD11 LEU 71 11.949 -1.262 -4.995 574 HD12 LEU 71 HD12 LEU 71 11.267 -2.855 -4.666 575 HD13 LEU 71 HD13 LEU 71 13.016 -2.633 -4.689 576 HD21 LEU 71 HD21 LEU 71 13.404 -0.197 -3.126 577 HD22 LEU 71 HD22 LEU 71 14.191 -1.735 -2.770 578 HD23 LEU 71 HD23 LEU 71 13.318 -0.876 -1.501 579 H ILE 72 H ILE 72 8.964 -2.388 -0.244 580 HA ILE 72 HA ILE 72 6.848 -0.336 0.021 581 HB ILE 72 HB ILE 72 7.056 -3.035 1.426 582 HG12 ILE 72 HG12 ILE 72 4.958 -2.102 -0.571 583 HG13 ILE 72 HG13 ILE 72 6.382 -3.021 -1.054 584 HG21 ILE 72 HG21 ILE 72 6.009 -1.130 2.752 585 HG22 ILE 72 HG22 ILE 72 4.933 -2.494 2.460 586 HG23 ILE 72 HG23 ILE 72 4.774 -1.024 1.498 587 HD11 ILE 72 HD11 ILE 72 4.380 -4.475 -0.676 588 HD12 ILE 72 HD12 ILE 72 4.358 -3.955 1.009 589 HD13 ILE 72 HD13 ILE 72 5.725 -4.881 0.391 590 H ARG 73 H ARG 73 7.181 1.175 1.593 591 HA ARG 73 HA ARG 73 9.680 1.373 2.878 592 HB2 ARG 73 HB2 ARG 73 8.060 3.292 2.480 593 HB3 ARG 73 HB3 ARG 73 7.157 2.707 3.878 594 HG2 ARG 73 HG2 ARG 73 8.626 4.335 4.796 595 HG3 ARG 73 HG3 ARG 73 9.418 2.803 5.150 596 HD2 ARG 73 HD2 ARG 73 11.236 3.774 4.215 597 HD3 ARG 73 HD3 ARG 73 10.495 3.381 2.678 598 HE ARG 73 HE ARG 73 9.874 5.654 2.433 599 HH11 ARG 73 HH11 ARG 73 11.319 5.110 5.601 600 HH12 ARG 73 HH12 ARG 73 11.556 6.796 5.908 601 HH21 ARG 73 HH21 ARG 73 10.238 7.836 2.879 602 HH22 ARG 73 HH22 ARG 73 10.949 8.326 4.379 603 H THR 74 H THR 74 10.496 0.595 4.704 604 HA THR 74 HA THR 74 8.687 -0.652 6.673 605 HB THR 74 HB THR 74 11.392 -1.880 6.264 606 HG1 THR 74 HG1 THR 74 10.374 -3.217 4.590 607 HG21 THR 74 HG21 THR 74 9.832 -3.966 6.504 608 HG22 THR 74 HG22 THR 74 8.629 -2.798 7.046 609 HG23 THR 74 HG23 THR 74 10.145 -2.974 7.924 610 H ASP 75 H ASP 75 10.242 -1.219 8.733 611 HA ASP 75 HA ASP 75 10.925 1.267 9.848 612 HB2 ASP 75 HB2 ASP 75 12.011 -0.057 11.673 613 HB3 ASP 75 HB3 ASP 75 10.364 -0.562 11.311 614 H LYS 76 H LYS 76 12.904 -1.120 8.177 615 HA LYS 76 HA LYS 76 15.355 0.384 8.684 616 HB2 LYS 76 HB2 LYS 76 14.839 -2.183 7.176 617 HB3 LYS 76 HB3 LYS 76 16.429 -1.430 7.318 618 HG2 LYS 76 HG2 LYS 76 16.170 -1.502 9.822 619 HG3 LYS 76 HG3 LYS 76 14.685 -2.423 9.597 620 HD2 LYS 76 HD2 LYS 76 17.346 -3.309 8.445 621 HD3 LYS 76 HD3 LYS 76 16.783 -3.814 10.037 622 HE2 LYS 76 HE2 LYS 76 14.745 -4.780 9.002 623 HE3 LYS 76 HE3 LYS 76 15.337 -4.299 7.410 624 HZ1 LYS 76 HZ1 LYS 76 17.269 -5.697 7.742 625 HZ2 LYS 76 HZ2 LYS 76 15.846 -6.610 7.908 626 HZ3 LYS 76 HZ3 LYS 76 16.724 -6.138 9.286 627 H GLY 77 H GLY 77 12.838 0.668 6.482 628 HA2 GLY 77 HA2 GLY 77 13.097 2.611 4.953 629 HA3 GLY 77 HA3 GLY 77 14.607 1.871 4.428 630 H TRP 78 H TRP 78 13.539 2.115 2.281 631 HA TRP 78 HA TRP 78 11.258 0.584 1.521 632 HB2 TRP 78 HB2 TRP 78 13.583 1.672 -0.083 633 HB3 TRP 78 HB3 TRP 78 12.158 0.930 -0.800 634 HD1 TRP 78 HD1 TRP 78 13.457 4.156 0.433 635 HE1 TRP 78 HE1 TRP 78 11.580 5.922 0.496 636 HE3 TRP 78 HE3 TRP 78 9.384 1.144 -0.208 637 HZ2 TRP 78 HZ2 TRP 78 8.738 6.043 0.304 638 HZ3 TRP 78 HZ3 TRP 78 7.101 2.117 -0.263 639 HH2 TRP 78 HH2 TRP 78 6.778 4.562 -0.007 640 H ILE 79 H ILE 79 11.057 -1.534 1.134 641 HA ILE 79 HA ILE 79 13.443 -3.122 0.489 642 HB ILE 79 HB ILE 79 11.459 -3.883 2.672 643 HG12 ILE 79 HG12 ILE 79 14.443 -3.302 2.900 644 HG13 ILE 79 HG13 ILE 79 13.206 -2.087 3.220 645 HG21 ILE 79 HG21 ILE 79 13.217 -5.754 3.013 646 HG22 ILE 79 HG22 ILE 79 13.806 -5.338 1.404 647 HG23 ILE 79 HG23 ILE 79 12.154 -5.918 1.613 648 HD11 ILE 79 HD11 ILE 79 13.984 -3.215 5.302 649 HD12 ILE 79 HD12 ILE 79 13.413 -4.752 4.656 650 HD13 ILE 79 HD13 ILE 79 12.262 -3.464 5.010 651 H LYS 80 H LYS 80 13.128 -4.861 -0.826 652 HA LYS 80 HA LYS 80 11.137 -4.929 -2.752 653 HB2 LYS 80 HB2 LYS 80 13.306 -6.197 -2.772 654 HB3 LYS 80 HB3 LYS 80 12.618 -7.313 -1.601 655 HG2 LYS 80 HG2 LYS 80 12.340 -8.358 -3.726 656 HG3 LYS 80 HG3 LYS 80 10.751 -7.725 -3.301 657 HD2 LYS 80 HD2 LYS 80 11.050 -5.813 -4.743 658 HD3 LYS 80 HD3 LYS 80 12.736 -6.239 -5.041 659 HE2 LYS 80 HE2 LYS 80 12.015 -8.352 -6.106 660 HE3 LYS 80 HE3 LYS 80 10.333 -7.908 -5.843 661 HZ1 LYS 80 HZ1 LYS 80 12.017 -5.959 -7.214 662 HZ2 LYS 80 HZ2 LYS 80 10.388 -6.362 -7.471 663 HZ3 LYS 80 HZ3 LYS 80 11.620 -7.361 -8.078 664 H ALA 81 H ALA 81 9.003 -5.452 -2.727 665 HA ALA 81 HA ALA 81 7.582 -6.088 -0.395 666 HB1 ALA 81 HB1 ALA 81 6.218 -5.167 -1.990 667 HB2 ALA 81 HB2 ALA 81 5.816 -6.868 -2.215 668 HB3 ALA 81 HB3 ALA 81 6.956 -6.078 -3.306 669 H ALA 82 H ALA 82 8.772 -8.178 -2.989 670 HA ALA 82 HA ALA 82 7.635 -10.609 -2.137 671 HB1 ALA 82 HB1 ALA 82 8.777 -10.166 -4.347 672 HB2 ALA 82 HB2 ALA 82 9.228 -11.682 -3.566 673 HB3 ALA 82 HB3 ALA 82 10.316 -10.295 -3.497 674 H ASN 83 H ASN 83 10.598 -8.920 -1.216 675 HA ASN 83 HA ASN 83 11.709 -11.028 0.361 676 HB2 ASN 83 HB2 ASN 83 13.013 -9.151 -0.677 677 HB3 ASN 83 HB3 ASN 83 12.339 -8.087 0.566 678 HD21 ASN 83 HD21 ASN 83 14.935 -10.186 -0.104 679 HD22 ASN 83 HD22 ASN 83 15.485 -10.395 1.488 680 H ILE 84 H ILE 84 9.438 -8.429 1.059 681 HA ILE 84 HA ILE 84 9.754 -8.120 3.796 682 HB ILE 84 HB ILE 84 7.109 -8.159 2.304 683 HG12 ILE 84 HG12 ILE 84 8.692 -6.562 1.285 684 HG13 ILE 84 HG13 ILE 84 7.410 -5.693 2.104 685 HG21 ILE 84 HG21 ILE 84 6.428 -6.525 4.146 686 HG22 ILE 84 HG22 ILE 84 7.875 -7.040 5.013 687 HG23 ILE 84 HG23 ILE 84 6.609 -8.209 4.639 688 HD11 ILE 84 HD11 ILE 84 10.286 -6.062 3.012 689 HD12 ILE 84 HD12 ILE 84 9.021 -5.513 4.113 690 HD13 ILE 84 HD13 ILE 84 9.434 -4.548 2.696 691 H THR 85 H THR 85 9.161 -9.158 5.597 692 HA THR 85 HA THR 85 7.801 -11.766 5.369 693 HB THR 85 HB THR 85 9.354 -12.643 7.099 694 HG1 THR 85 HG1 THR 85 9.889 -10.413 7.794 695 HG21 THR 85 HG21 THR 85 9.762 -12.816 4.562 696 HG22 THR 85 HG22 THR 85 11.140 -13.110 5.621 697 HG23 THR 85 HG23 THR 85 10.974 -11.558 4.800 698 HA PRO 86 HA PRO 86 5.042 -10.628 8.624 699 HB2 PRO 86 HB2 PRO 86 6.247 -12.732 10.386 700 HB3 PRO 86 HB3 PRO 86 4.537 -12.393 10.044 701 HG2 PRO 86 HG2 PRO 86 5.696 -14.419 8.870 702 HG3 PRO 86 HG3 PRO 86 4.633 -13.353 7.931 703 HD2 PRO 86 HD2 PRO 86 7.626 -13.499 7.920 704 HD3 PRO 86 HD3 PRO 86 6.491 -13.188 6.577 705 H LYS 87 H LYS 87 8.343 -11.287 9.775 706 HA LYS 87 HA LYS 87 8.219 -9.812 12.176 707 HB2 LYS 87 HB2 LYS 87 10.678 -9.901 12.182 708 HB3 LYS 87 HB3 LYS 87 9.968 -11.470 11.810 709 HG2 LYS 87 HG2 LYS 87 10.427 -11.221 9.472 710 HG3 LYS 87 HG3 LYS 87 10.894 -9.530 9.667 711 HD2 LYS 87 HD2 LYS 87 12.356 -11.775 11.078 712 HD3 LYS 87 HD3 LYS 87 12.806 -11.243 9.459 713 HE2 LYS 87 HE2 LYS 87 13.098 -8.923 10.322 714 HE3 LYS 87 HE3 LYS 87 12.723 -9.501 11.946 715 HZ1 LYS 87 HZ1 LYS 87 14.975 -9.664 11.976 716 HZ2 LYS 87 HZ2 LYS 87 15.102 -9.961 10.307 717 HZ3 LYS 87 HZ3 LYS 87 14.615 -11.202 11.359 718 H MET 88 H MET 88 8.655 -8.714 8.891 719 HA MET 88 HA MET 88 9.980 -6.269 9.430 720 HB2 MET 88 HB2 MET 88 8.502 -7.418 7.122 721 HB3 MET 88 HB3 MET 88 8.457 -5.666 7.198 722 HG2 MET 88 HG2 MET 88 10.386 -6.124 5.922 723 HG3 MET 88 HG3 MET 88 11.026 -5.811 7.529 724 HE1 MET 88 HE1 MET 88 13.325 -7.127 6.909 725 HE2 MET 88 HE2 MET 88 12.560 -7.111 5.323 726 HE3 MET 88 HE3 MET 88 13.265 -8.605 5.936 727 H LYS 89 H LYS 89 9.303 -4.281 10.001 728 HA LYS 89 HA LYS 89 6.438 -3.945 10.642 729 HB2 LYS 89 HB2 LYS 89 8.905 -2.970 12.063 730 HB3 LYS 89 HB3 LYS 89 7.369 -2.123 12.235 731 HG2 LYS 89 HG2 LYS 89 6.440 -4.573 12.757 732 HG3 LYS 89 HG3 LYS 89 8.125 -4.893 13.162 733 HD2 LYS 89 HD2 LYS 89 6.725 -2.466 14.307 734 HD3 LYS 89 HD3 LYS 89 6.493 -4.051 15.038 735 HE2 LYS 89 HE2 LYS 89 8.323 -2.846 16.148 736 HE3 LYS 89 HE3 LYS 89 8.935 -4.284 15.331 737 HZ1 LYS 89 HZ1 LYS 89 10.064 -1.933 15.045 738 HZ2 LYS 89 HZ2 LYS 89 8.887 -1.775 13.829 739 HZ3 LYS 89 HZ3 LYS 89 10.008 -3.051 13.772 740 H ILE 90 H ILE 90 5.391 -2.232 9.834 741 HA ILE 90 HA ILE 90 6.968 -0.296 8.240 742 HB ILE 90 HB ILE 90 4.298 -1.556 7.516 743 HG12 ILE 90 HG12 ILE 90 6.992 -1.755 6.099 744 HG13 ILE 90 HG13 ILE 90 6.423 -2.954 7.253 745 HG21 ILE 90 HG21 ILE 90 5.851 0.752 6.341 746 HG22 ILE 90 HG22 ILE 90 4.116 0.588 6.581 747 HG23 ILE 90 HG23 ILE 90 4.904 -0.281 5.269 748 HD11 ILE 90 HD11 ILE 90 4.943 -2.161 4.732 749 HD12 ILE 90 HD12 ILE 90 4.481 -3.434 5.862 750 HD13 ILE 90 HD13 ILE 90 5.950 -3.600 4.897 751 H LEU 91 H LEU 91 6.642 1.795 8.642 752 HA LEU 91 HA LEU 91 4.942 2.657 10.760 753 HB2 LEU 91 HB2 LEU 91 5.659 4.919 10.157 754 HB3 LEU 91 HB3 LEU 91 7.021 3.814 10.277 755 HG LEU 91 HG LEU 91 6.450 3.532 7.596 756 HD11 LEU 91 HD11 LEU 91 6.012 6.490 8.016 757 HD12 LEU 91 HD12 LEU 91 4.653 5.375 7.971 758 HD13 LEU 91 HD13 LEU 91 5.718 5.516 6.575 759 HD21 LEU 91 HD21 LEU 91 8.648 4.177 8.744 760 HD22 LEU 91 HD22 LEU 91 8.119 5.854 8.619 761 HD23 LEU 91 HD23 LEU 91 8.380 4.903 7.159 762 H SER 92 H SER 92 2.948 3.378 10.758 763 HA SER 92 HA SER 92 1.608 3.971 8.200 764 HB2 SER 92 HB2 SER 92 0.496 2.324 10.500 765 HB3 SER 92 HB3 SER 92 -0.416 2.850 9.090 766 HG SER 92 HG SER 92 1.291 1.734 7.857 767 HA PRO 93 HA PRO 93 0.396 7.610 10.500 768 HB2 PRO 93 HB2 PRO 93 -1.701 8.529 9.119 769 HB3 PRO 93 HB3 PRO 93 -0.064 8.531 8.434 770 HG2 PRO 93 HG2 PRO 93 -2.284 6.587 7.967 771 HG3 PRO 93 HG3 PRO 93 -1.194 7.352 6.793 772 HD2 PRO 93 HD2 PRO 93 -0.784 4.818 7.718 773 HD3 PRO 93 HD3 PRO 93 0.553 5.894 7.240 774 H GLU 94 H GLU 94 -1.181 8.409 11.986 775 HA GLU 94 HA GLU 94 -3.392 6.569 12.639 776 HB2 GLU 94 HB2 GLU 94 -1.749 8.210 14.584 777 HB3 GLU 94 HB3 GLU 94 -3.112 7.182 15.003 778 HG2 GLU 94 HG2 GLU 94 -1.415 5.679 15.421 779 HG3 GLU 94 HG3 GLU 94 -1.598 5.342 13.707 780 H ILE 95 H ILE 95 -5.352 7.430 12.902 781 HA ILE 95 HA ILE 95 -5.690 10.240 12.221 782 HB ILE 95 HB ILE 95 -7.760 8.021 12.513 783 HG12 ILE 95 HG12 ILE 95 -6.720 9.341 9.978 784 HG13 ILE 95 HG13 ILE 95 -6.031 7.850 10.617 785 HG21 ILE 95 HG21 ILE 95 -9.314 9.580 11.432 786 HG22 ILE 95 HG22 ILE 95 -8.048 10.800 11.300 787 HG23 ILE 95 HG23 ILE 95 -8.663 10.339 12.887 788 HD11 ILE 95 HD11 ILE 95 -8.157 6.698 10.389 789 HD12 ILE 95 HD12 ILE 95 -7.790 7.476 8.850 790 HD13 ILE 95 HD13 ILE 95 -8.971 8.198 9.942 791 H ASP 96 H ASP 96 -6.094 11.752 13.655 792 HA ASP 96 HA ASP 96 -7.698 11.459 15.983 793 HB2 ASP 96 HB2 ASP 96 -5.251 10.390 16.427 794 HB3 ASP 96 HB3 ASP 96 -4.884 12.074 16.783 795 H ALA 97 H ALA 97 -6.404 13.628 17.484 796 HA ALA 97 HA ALA 97 -7.443 15.896 16.162 797 HB1 ALA 97 HB1 ALA 97 -6.854 15.597 18.666 798 HB2 ALA 97 HB2 ALA 97 -6.545 17.172 17.935 799 HB3 ALA 97 HB3 ALA 97 -5.215 16.043 18.190 800 H ALA 98 H ALA 98 -4.207 14.488 16.304 801 HA ALA 98 HA ALA 98 -3.455 16.041 13.933 802 HB1 ALA 98 HB1 ALA 98 -1.369 15.532 16.019 803 HB2 ALA 98 HB2 ALA 98 -2.462 16.900 16.231 804 HB3 ALA 98 HB3 ALA 98 -1.445 16.799 14.794 805 H VAL 99 H VAL 99 -2.469 14.811 12.409 806 HA VAL 99 HA VAL 99 -2.535 12.010 12.532 807 HB VAL 99 HB VAL 99 -2.537 13.310 10.420 808 HG11 VAL 99 HG11 VAL 99 -0.805 14.975 11.151 809 HG12 VAL 99 HG12 VAL 99 -0.530 14.317 9.536 810 HG13 VAL 99 HG13 VAL 99 0.423 13.732 10.901 811 HG21 VAL 99 HG21 VAL 99 -0.257 11.321 10.703 812 HG22 VAL 99 HG22 VAL 99 -0.933 11.849 9.162 813 HG23 VAL 99 HG23 VAL 99 -1.933 10.945 10.299 814 H LYS 100 H LYS 100 -1.177 10.501 13.220 815 HA LYS 100 HA LYS 100 1.540 11.287 14.101 816 HB2 LYS 100 HB2 LYS 100 -0.441 9.516 15.538 817 HB3 LYS 100 HB3 LYS 100 1.265 9.627 15.970 818 HG2 LYS 100 HG2 LYS 100 1.005 12.055 16.337 819 HG3 LYS 100 HG3 LYS 100 -0.705 11.931 15.922 820 HD2 LYS 100 HD2 LYS 100 -1.065 10.387 17.805 821 HD3 LYS 100 HD3 LYS 100 0.647 10.482 18.217 822 HE2 LYS 100 HE2 LYS 100 -0.619 12.000 19.655 823 HE3 LYS 100 HE3 LYS 100 0.399 12.936 18.561 824 HZ1 LYS 100 HZ1 LYS 100 -2.456 12.308 18.041 825 HZ2 LYS 100 HZ2 LYS 100 -1.459 13.359 17.153 826 HZ3 LYS 100 HZ3 LYS 100 -1.919 13.755 18.740 827 H THR 101 H THR 101 2.987 9.356 14.373 828 HA THR 101 HA THR 101 2.494 7.414 12.190 829 HB THR 101 HB THR 101 5.145 8.439 13.270 830 HG1 THR 101 HG1 THR 101 4.994 9.900 11.784 831 HG21 THR 101 HG21 THR 101 4.437 6.516 11.045 832 HG22 THR 101 HG22 THR 101 5.501 6.231 12.423 833 HG23 THR 101 HG23 THR 101 6.000 7.328 11.134 834 H ALA 102 H ALA 102 2.587 5.259 12.577 835 HA ALA 102 HA ALA 102 3.785 4.252 15.039 836 HB1 ALA 102 HB1 ALA 102 0.840 3.968 14.426 837 HB2 ALA 102 HB2 ALA 102 1.573 4.703 15.851 838 HB3 ALA 102 HB3 ALA 102 1.694 2.962 15.597 839 H LEU 103 H LEU 103 4.722 2.325 14.712 840 HA LEU 103 HA LEU 103 4.639 1.123 12.096 841 HB2 LEU 103 HB2 LEU 103 6.136 0.568 14.647 842 HB3 LEU 103 HB3 LEU 103 6.159 -0.600 13.327 843 HG LEU 103 HG LEU 103 6.848 1.363 11.812 844 HD11 LEU 103 HD11 LEU 103 7.229 2.590 14.554 845 HD12 LEU 103 HD12 LEU 103 6.300 3.239 13.202 846 HD13 LEU 103 HD13 LEU 103 8.061 3.185 13.116 847 HD21 LEU 103 HD21 LEU 103 9.243 1.242 12.625 848 HD22 LEU 103 HD22 LEU 103 8.470 -0.331 12.428 849 HD23 LEU 103 HD23 LEU 103 8.655 0.366 14.038 850 H GLN 104 H GLN 104 3.954 -0.907 11.510 851 HA GLN 104 HA GLN 104 2.182 -2.290 13.426 852 HB2 GLN 104 HB2 GLN 104 0.646 -2.852 11.620 853 HB3 GLN 104 HB3 GLN 104 0.857 -1.105 11.664 854 HG2 GLN 104 HG2 GLN 104 2.637 -1.406 9.849 855 HG3 GLN 104 HG3 GLN 104 2.086 -3.070 9.713 856 HE21 GLN 104 HE21 GLN 104 1.868 -0.921 7.651 857 HE22 GLN 104 HE22 GLN 104 0.209 -0.766 7.320 858 H ASP 105 H ASP 105 2.052 -4.570 13.190 859 HA ASP 105 HA ASP 105 4.588 -5.708 12.261 860 HB2 ASP 105 HB2 ASP 105 3.951 -6.059 14.613 861 HB3 ASP 105 HB3 ASP 105 2.486 -6.887 14.087 862 H VAL 106 H VAL 106 4.645 -6.661 10.333 863 HA VAL 106 HA VAL 106 2.400 -7.349 8.794 864 HB VAL 106 HB VAL 106 5.241 -8.438 8.620 865 HG11 VAL 106 HG11 VAL 106 3.114 -8.356 6.451 866 HG12 VAL 106 HG12 VAL 106 3.486 -9.795 7.398 867 HG13 VAL 106 HG13 VAL 106 4.714 -9.091 6.348 868 HG21 VAL 106 HG21 VAL 106 5.679 -6.665 7.074 869 HG22 VAL 106 HG22 VAL 106 4.837 -5.893 8.420 870 HG23 VAL 106 HG23 VAL 106 3.969 -6.259 6.931 871 H GLU 107 H GLU 107 0.927 -8.905 9.248 872 HA GLU 107 HA GLU 107 1.427 -11.049 11.087 873 HB2 GLU 107 HB2 GLU 107 -0.830 -10.050 10.772 874 HB3 GLU 107 HB3 GLU 107 -0.856 -10.665 9.119 875 HG2 GLU 107 HG2 GLU 107 -2.105 -12.188 10.581 876 HG3 GLU 107 HG3 GLU 107 -0.647 -12.987 9.999 877 H SER 108 H SER 108 1.014 -10.790 7.569 878 HA SER 108 HA SER 108 2.969 -12.661 6.865 879 HB2 SER 108 HB2 SER 108 1.248 -14.406 5.943 880 HB3 SER 108 HB3 SER 108 1.810 -14.514 7.613 881 HG SER 108 HG SER 108 -0.668 -14.130 6.640 882 H ILE 109 H ILE 109 2.956 -13.197 4.563 883 HA ILE 109 HA ILE 109 1.349 -11.295 2.959 884 HB ILE 109 HB ILE 109 4.042 -12.548 2.273 885 HG12 ILE 109 HG12 ILE 109 3.389 -9.627 2.817 886 HG13 ILE 109 HG13 ILE 109 3.985 -10.711 4.075 887 HG21 ILE 109 HG21 ILE 109 3.910 -10.799 0.391 888 HG22 ILE 109 HG22 ILE 109 2.201 -10.638 0.790 889 HG23 ILE 109 HG23 ILE 109 2.831 -12.185 0.223 890 HD11 ILE 109 HD11 ILE 109 5.928 -11.220 2.440 891 HD12 ILE 109 HD12 ILE 109 5.937 -9.651 3.244 892 HD13 ILE 109 HD13 ILE 109 5.397 -9.780 1.571 893 H GLU 110 H GLU 110 -0.229 -12.249 1.739 894 HA GLU 110 HA GLU 110 0.061 -15.163 1.178 895 HB2 GLU 110 HB2 GLU 110 -2.477 -13.595 1.681 896 HB3 GLU 110 HB3 GLU 110 -2.401 -15.308 1.271 897 HG2 GLU 110 HG2 GLU 110 -1.118 -14.050 3.722 898 HG3 GLU 110 HG3 GLU 110 -2.633 -14.946 3.725 899 H LYS 111 H LYS 111 0.145 -15.790 -0.843 900 HA LYS 111 HA LYS 111 -0.057 -13.974 -3.023 901 HB2 LYS 111 HB2 LYS 111 0.056 -16.996 -2.947 902 HB3 LYS 111 HB3 LYS 111 0.165 -16.033 -4.420 903 HG2 LYS 111 HG2 LYS 111 2.152 -14.876 -3.520 904 HG3 LYS 111 HG3 LYS 111 2.052 -15.851 -2.053 905 HD2 LYS 111 HD2 LYS 111 2.339 -17.905 -3.390 906 HD3 LYS 111 HD3 LYS 111 2.448 -16.933 -4.859 907 HE2 LYS 111 HE2 LYS 111 4.441 -15.791 -3.963 908 HE3 LYS 111 HE3 LYS 111 4.335 -16.758 -2.493 909 HZ1 LYS 111 HZ1 LYS 111 4.369 -18.724 -4.157 910 HZ2 LYS 111 HZ2 LYS 111 5.824 -17.951 -3.741 911 HZ3 LYS 111 HZ3 LYS 111 5.061 -17.596 -5.217 912 H LEU 112 H LEU 112 -1.688 -13.522 -4.371 913 HA LEU 112 HA LEU 112 -4.246 -14.983 -4.042 914 HB2 LEU 112 HB2 LEU 112 -3.660 -12.052 -4.205 915 HB3 LEU 112 HB3 LEU 112 -5.128 -12.631 -4.987 916 HG LEU 112 HG LEU 112 -5.640 -13.832 -2.765 917 HD11 LEU 112 HD11 LEU 112 -3.559 -13.759 -1.630 918 HD12 LEU 112 HD12 LEU 112 -4.557 -12.574 -0.789 919 HD13 LEU 112 HD13 LEU 112 -3.344 -12.040 -1.953 920 HD21 LEU 112 HD21 LEU 112 -6.959 -11.926 -3.340 921 HD22 LEU 112 HD22 LEU 112 -5.614 -10.820 -3.077 922 HD23 LEU 112 HD23 LEU 112 -6.391 -11.604 -1.702 923 H GLY 113 H GLY 113 -1.859 -13.702 -6.221 924 HA2 GLY 113 HA2 GLY 113 -1.447 -14.480 -8.386 925 HA3 GLY 113 HA3 GLY 113 -3.041 -15.187 -8.412 926 H VAL 114 H VAL 114 -3.012 -14.263 -10.603 927 HA VAL 114 HA VAL 114 -2.950 -11.555 -11.196 928 HB VAL 114 HB VAL 114 -2.918 -13.402 -12.863 929 HG11 VAL 114 HG11 VAL 114 -4.752 -14.756 -11.915 930 HG12 VAL 114 HG12 VAL 114 -5.042 -14.385 -13.617 931 HG13 VAL 114 HG13 VAL 114 -5.906 -13.498 -12.360 932 HG21 VAL 114 HG21 VAL 114 -3.499 -10.957 -13.375 933 HG22 VAL 114 HG22 VAL 114 -5.182 -11.480 -13.450 934 HG23 VAL 114 HG23 VAL 114 -4.001 -12.144 -14.580 935 H ASN 115 H ASN 115 -4.229 -9.902 -10.904 936 HA ASN 115 HA ASN 115 -7.087 -10.197 -10.419 937 HB2 ASN 115 HB2 ASN 115 -5.116 -9.210 -8.398 938 HB3 ASN 115 HB3 ASN 115 -6.749 -8.551 -8.420 939 HD21 ASN 115 HD21 ASN 115 -5.730 -10.113 -6.215 940 HD22 ASN 115 HD22 ASN 115 -6.603 -11.574 -6.151 941 H HIS 116 H HIS 116 -8.182 -8.066 -10.396 942 HA HIS 116 HA HIS 116 -7.074 -6.317 -12.415 943 HB2 HIS 116 HB2 HIS 116 -9.561 -6.029 -10.692 944 HB3 HIS 116 HB3 HIS 116 -9.137 -4.982 -12.046 945 HD2 HIS 116 HD2 HIS 116 -11.031 -8.247 -11.461 946 HE1 HIS 116 HE1 HIS 116 -10.111 -8.177 -15.580 947 HE2 HIS 116 HE2 HIS 116 -11.478 -9.344 -13.786 948 H VAL 117 H VAL 117 -5.803 -4.608 -12.050 949 HA VAL 117 HA VAL 117 -5.639 -3.560 -9.288 950 HB VAL 117 HB VAL 117 -3.171 -2.986 -9.957 951 HG11 VAL 117 HG11 VAL 117 -2.514 -5.441 -9.291 952 HG12 VAL 117 HG12 VAL 117 -4.256 -5.652 -9.094 953 HG13 VAL 117 HG13 VAL 117 -3.401 -4.419 -8.162 954 HG21 VAL 117 HG21 VAL 117 -3.689 -3.910 -12.375 955 HG22 VAL 117 HG22 VAL 117 -3.424 -5.486 -11.647 956 HG23 VAL 117 HG23 VAL 117 -2.128 -4.283 -11.639 957 H TYR 118 H TYR 118 -5.465 -1.464 -8.920 958 HA TYR 118 HA TYR 118 -5.348 0.427 -11.160 959 HB2 TYR 118 HB2 TYR 118 -7.352 0.633 -8.876 960 HB3 TYR 118 HB3 TYR 118 -7.195 1.722 -10.248 961 HD1 TYR 118 HD1 TYR 118 -8.366 -1.547 -9.130 962 HD2 TYR 118 HD2 TYR 118 -7.960 1.035 -12.477 963 HE1 TYR 118 HE1 TYR 118 -9.932 -2.990 -10.383 964 HE2 TYR 118 HE2 TYR 118 -9.528 -0.387 -13.784 965 HH TYR 118 HH TYR 118 -11.404 -2.864 -12.295 966 H ASP 119 H ASP 119 -4.425 2.433 -10.535 967 HA ASP 119 HA ASP 119 -3.713 3.031 -7.819 968 HB2 ASP 119 HB2 ASP 119 -2.082 1.194 -8.589 969 HB3 ASP 119 HB3 ASP 119 -1.361 2.453 -9.603 970 H ILE 120 H ILE 120 -2.220 5.005 -7.709 971 HA ILE 120 HA ILE 120 -2.565 6.699 -10.105 972 HB ILE 120 HB ILE 120 -3.391 8.543 -8.955 973 HG12 ILE 120 HG12 ILE 120 -1.960 8.670 -6.963 974 HG13 ILE 120 HG13 ILE 120 -3.634 8.710 -6.434 975 HG21 ILE 120 HG21 ILE 120 -5.329 7.556 -7.444 976 HG22 ILE 120 HG22 ILE 120 -4.759 6.034 -8.117 977 HG23 ILE 120 HG23 ILE 120 -5.284 7.332 -9.185 978 HD11 ILE 120 HD11 ILE 120 -3.492 6.200 -6.047 979 HD12 ILE 120 HD12 ILE 120 -2.492 7.172 -4.967 980 HD13 ILE 120 HD13 ILE 120 -1.754 6.329 -6.329 981 H GLU 121 H GLU 121 -1.339 8.822 -9.855 982 HA GLU 121 HA GLU 121 1.374 8.270 -8.829 983 HB2 GLU 121 HB2 GLU 121 0.469 9.842 -11.249 984 HB3 GLU 121 HB3 GLU 121 2.116 9.880 -10.620 985 HG2 GLU 121 HG2 GLU 121 2.375 7.500 -10.979 986 HG3 GLU 121 HG3 GLU 121 0.679 7.335 -11.420 987 H VAL 122 H VAL 122 2.539 10.132 -7.985 988 HA VAL 122 HA VAL 122 0.763 12.336 -7.098 989 HB VAL 122 HB VAL 122 2.068 12.449 -5.004 990 HG11 VAL 122 HG11 VAL 122 -0.001 11.209 -4.968 991 HG12 VAL 122 HG12 VAL 122 1.187 10.306 -4.028 992 HG13 VAL 122 HG13 VAL 122 0.782 9.791 -5.665 993 HG21 VAL 122 HG21 VAL 122 3.720 10.843 -4.433 994 HG22 VAL 122 HG22 VAL 122 4.095 11.288 -6.097 995 HG23 VAL 122 HG23 VAL 122 3.264 9.772 -5.762 996 H GLU 123 H GLU 123 1.779 14.379 -6.674 997 HA GLU 123 HA GLU 123 3.258 15.243 -8.865 998 HB2 GLU 123 HB2 GLU 123 2.739 16.587 -6.227 999 HB3 GLU 123 HB3 GLU 123 3.568 17.388 -7.559 1000 HG2 GLU 123 HG2 GLU 123 1.582 16.802 -9.012 1001 HG3 GLU 123 HG3 GLU 123 0.749 16.286 -7.544 1002 H HIS 124 H HIS 124 4.638 14.700 -5.536 1003 HA HIS 124 HA HIS 124 7.310 15.207 -6.767 1004 HB2 HIS 124 HB2 HIS 124 6.173 16.010 -4.118 1005 HB3 HIS 124 HB3 HIS 124 7.913 15.803 -4.297 1006 HD2 HIS 124 HD2 HIS 124 9.188 17.938 -5.583 1007 HE1 HIS 124 HE1 HIS 124 5.723 20.014 -6.797 1008 HE2 HIS 124 HE2 HIS 124 8.254 20.114 -6.676 1009 H ASN 125 H ASN 125 6.161 13.590 -3.764 1010 HA ASN 125 HA ASN 125 8.530 12.100 -3.496 1011 HB2 ASN 125 HB2 ASN 125 6.858 12.614 -1.683 1012 HB3 ASN 125 HB3 ASN 125 5.881 11.279 -2.315 1013 HD21 ASN 125 HD21 ASN 125 6.214 9.665 -0.740 1014 HD22 ASN 125 HD22 ASN 125 7.742 9.094 -0.280 1015 H HIS 126 H HIS 126 5.874 11.541 -5.536 1016 HA HIS 126 HA HIS 126 5.289 9.803 -6.952 1017 HB2 HIS 126 HB2 HIS 126 8.224 9.125 -6.593 1018 HB3 HIS 126 HB3 HIS 126 7.178 8.452 -7.839 1019 HD2 HIS 126 HD2 HIS 126 5.836 11.742 -8.253 1020 HE1 HIS 126 HE1 HIS 126 9.652 12.260 -9.979 1021 HE2 HIS 126 HE2 HIS 126 7.321 13.244 -9.784 1022 H ASN 127 H ASN 127 4.978 9.413 -4.048 1023 HA ASN 127 HA ASN 127 4.756 6.478 -4.047 1024 HB2 ASN 127 HB2 ASN 127 5.736 8.001 -1.626 1025 HB3 ASN 127 HB3 ASN 127 5.636 6.258 -1.830 1026 HD21 ASN 127 HD21 ASN 127 6.857 5.774 -4.252 1027 HD22 ASN 127 HD22 ASN 127 8.448 6.358 -4.257 1028 H PHE 128 H PHE 128 3.234 5.703 -2.345 1029 HA PHE 128 HA PHE 128 1.396 7.678 -1.254 1030 HB2 PHE 128 HB2 PHE 128 -0.604 6.760 -2.356 1031 HB3 PHE 128 HB3 PHE 128 0.529 7.415 -3.536 1032 HD1 PHE 128 HD1 PHE 128 -1.017 4.368 -2.195 1033 HD2 PHE 128 HD2 PHE 128 1.867 5.916 -4.976 1034 HE1 PHE 128 HE1 PHE 128 -0.921 2.165 -3.319 1035 HE2 PHE 128 HE2 PHE 128 1.962 3.710 -6.103 1036 HZ PHE 128 HZ PHE 128 0.568 1.833 -5.276 1037 H VAL 129 H VAL 129 -0.316 6.700 0.095 1038 HA VAL 129 HA VAL 129 0.662 4.208 1.365 1039 HB VAL 129 HB VAL 129 -1.064 6.415 2.548 1040 HG11 VAL 129 HG11 VAL 129 0.171 3.937 3.795 1041 HG12 VAL 129 HG12 VAL 129 -1.549 4.283 3.615 1042 HG13 VAL 129 HG13 VAL 129 -0.566 5.250 4.714 1043 HG21 VAL 129 HG21 VAL 129 1.862 5.720 3.015 1044 HG22 VAL 129 HG22 VAL 129 0.960 6.958 3.887 1045 HG23 VAL 129 HG23 VAL 129 1.271 7.145 2.161 1046 H ALA 130 H ALA 130 -0.511 2.450 0.988 1047 HA ALA 130 HA ALA 130 -3.351 2.720 0.267 1048 HB1 ALA 130 HB1 ALA 130 -1.594 1.556 -1.269 1049 HB2 ALA 130 HB2 ALA 130 -3.173 0.806 -1.031 1050 HB3 ALA 130 HB3 ALA 130 -1.771 0.211 -0.142 1051 H ASN 131 H ASN 131 -4.768 2.224 1.800 1052 HA ASN 131 HA ASN 131 -5.687 1.427 3.735 1053 HB2 ASN 131 HB2 ASN 131 -5.513 -0.660 2.264 1054 HB3 ASN 131 HB3 ASN 131 -4.086 -1.081 3.204 1055 HD21 ASN 131 HD21 ASN 131 -6.619 -2.619 3.208 1056 HD22 ASN 131 HD22 ASN 131 -7.209 -2.572 4.799 1057 H GLY 132 H GLY 132 -3.421 3.009 4.112 1058 HA2 GLY 132 HA2 GLY 132 -2.126 3.709 5.895 1059 HA3 GLY 132 HA3 GLY 132 -2.661 2.292 6.789 1060 H LEU 133 H LEU 133 -1.332 1.561 3.705 1061 HA LEU 133 HA LEU 133 1.223 0.728 4.956 1062 HB2 LEU 133 HB2 LEU 133 -0.313 -1.112 4.161 1063 HB3 LEU 133 HB3 LEU 133 -0.126 -0.498 2.523 1064 HG LEU 133 HG LEU 133 2.386 -0.758 2.838 1065 HD11 LEU 133 HD11 LEU 133 2.744 -0.940 5.152 1066 HD12 LEU 133 HD12 LEU 133 2.859 -2.620 4.636 1067 HD13 LEU 133 HD13 LEU 133 1.382 -2.034 5.386 1068 HD21 LEU 133 HD21 LEU 133 2.228 -3.312 2.594 1069 HD22 LEU 133 HD22 LEU 133 1.253 -2.366 1.471 1070 HD23 LEU 133 HD23 LEU 133 0.496 -3.129 2.869 1071 H LEU 134 H LEU 134 2.860 2.041 4.357 1072 HA LEU 134 HA LEU 134 2.693 3.700 2.027 1073 HB2 LEU 134 HB2 LEU 134 3.820 4.602 3.961 1074 HB3 LEU 134 HB3 LEU 134 4.946 3.258 4.011 1075 HG LEU 134 HG LEU 134 5.913 3.981 1.841 1076 HD11 LEU 134 HD11 LEU 134 4.189 5.072 0.667 1077 HD12 LEU 134 HD12 LEU 134 5.256 6.400 1.110 1078 HD13 LEU 134 HD13 LEU 134 3.776 6.112 2.032 1079 HD21 LEU 134 HD21 LEU 134 5.780 6.311 3.768 1080 HD22 LEU 134 HD22 LEU 134 7.118 5.885 2.701 1081 HD23 LEU 134 HD23 LEU 134 6.725 4.858 4.079 1082 H VAL 135 H VAL 135 3.214 3.268 0.046 1083 HA VAL 135 HA VAL 135 5.184 1.147 -0.528 1084 HB VAL 135 HB VAL 135 3.835 0.476 -2.489 1085 HG11 VAL 135 HG11 VAL 135 2.260 -0.836 -1.280 1086 HG12 VAL 135 HG12 VAL 135 2.112 0.374 -0.007 1087 HG13 VAL 135 HG13 VAL 135 3.595 -0.563 -0.166 1088 HG21 VAL 135 HG21 VAL 135 1.664 2.254 -1.312 1089 HG22 VAL 135 HG22 VAL 135 1.561 1.299 -2.791 1090 HG23 VAL 135 HG23 VAL 135 2.634 2.696 -2.718 1091 H HIS 136 H HIS 136 6.324 1.339 -2.436 1092 HA HIS 136 HA HIS 136 6.813 4.083 -3.310 1093 HB2 HIS 136 HB2 HIS 136 8.703 2.615 -2.612 1094 HB3 HIS 136 HB3 HIS 136 8.330 1.529 -3.939 1095 HD2 HIS 136 HD2 HIS 136 10.210 4.859 -3.286 1096 HE1 HIS 136 HE1 HIS 136 10.221 4.240 -7.462 1097 HE2 HIS 136 HE2 HIS 136 11.183 5.644 -5.577 1098 H ASN 137 H ASN 137 5.590 4.778 -4.967 1099 HA ASN 137 HA ASN 137 4.389 3.008 -6.889 1100 HB2 ASN 137 HB2 ASN 137 3.484 5.267 -6.000 1101 HB3 ASN 137 HB3 ASN 137 4.553 5.994 -7.196 1102 HD21 ASN 137 HD21 ASN 137 2.931 6.707 -8.681 1103 HD22 ASN 137 HD22 ASN 137 1.908 5.635 -9.508 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 2.632 -0.742 -5.139 2 H2 GLU 1 HT2 GLU 1 2.133 0.856 -4.847 3 H3 GLU 1 HT3 GLU 1 3.777 0.439 -4.732 4 HA GLU 1 HA GLU 1 3.275 1.633 -6.792 5 HB2 GLU 1 HB2 GLU 1 5.092 -0.123 -6.582 6 HB3 GLU 1 HB3 GLU 1 3.961 -1.269 -7.304 7 HG2 GLU 1 HG2 GLU 1 3.763 0.151 -9.298 8 HG3 GLU 1 HG3 GLU 1 4.852 1.335 -8.578 9 H ALA 2 H ALA 2 1.692 -1.544 -6.512 10 HA ALA 2 HA ALA 2 -0.448 -0.584 -8.306 11 HB1 ALA 2 HB1 ALA 2 0.424 -1.998 -9.838 12 HB2 ALA 2 HB2 ALA 2 -0.340 -3.259 -8.866 13 HB3 ALA 2 HB3 ALA 2 1.361 -2.872 -8.636 14 H LEU 3 H LEU 3 -2.514 -1.049 -7.599 15 HA LEU 3 HA LEU 3 -2.738 -2.862 -5.255 16 HB2 LEU 3 HB2 LEU 3 -3.936 -0.148 -5.766 17 HB3 LEU 3 HB3 LEU 3 -4.803 -1.298 -4.759 18 HG LEU 3 HG LEU 3 -3.400 0.240 -3.395 19 HD11 LEU 3 HD11 LEU 3 -2.316 -1.398 -1.998 20 HD12 LEU 3 HD12 LEU 3 -2.331 -2.585 -3.292 21 HD13 LEU 3 HD13 LEU 3 -3.847 -2.044 -2.579 22 HD21 LEU 3 HD21 LEU 3 -0.895 -1.074 -4.450 23 HD22 LEU 3 HD22 LEU 3 -1.073 0.454 -3.601 24 HD23 LEU 3 HD23 LEU 3 -1.570 0.323 -5.290 25 H THR 4 H THR 4 -4.482 -4.261 -5.145 26 HA THR 4 HA THR 4 -5.709 -5.009 -7.630 27 HB THR 4 HB THR 4 -7.023 -6.609 -6.287 28 HG1 THR 4 HG1 THR 4 -5.817 -5.378 -4.041 29 HG21 THR 4 HG21 THR 4 -4.574 -7.015 -6.799 30 HG22 THR 4 HG22 THR 4 -5.215 -7.902 -5.416 31 HG23 THR 4 HG23 THR 4 -4.222 -6.467 -5.160 32 H GLY 5 H GLY 5 -8.123 -5.051 -7.956 33 HA2 GLY 5 HA2 GLY 5 -9.196 -2.487 -7.885 34 HA3 GLY 5 HA3 GLY 5 -10.126 -3.945 -8.194 35 H ASP 6 H ASP 6 -9.828 -5.229 -5.678 36 HA ASP 6 HA ASP 6 -11.832 -3.854 -4.158 37 HB2 ASP 6 HB2 ASP 6 -10.217 -6.337 -3.557 38 HB3 ASP 6 HB3 ASP 6 -11.450 -5.676 -2.479 39 H ALA 7 H ALA 7 -8.354 -3.914 -4.033 40 HA ALA 7 HA ALA 7 -7.880 -3.222 -1.363 41 HB1 ALA 7 HB1 ALA 7 -5.913 -1.861 -2.797 42 HB2 ALA 7 HB2 ALA 7 -6.378 -3.183 -3.863 43 HB3 ALA 7 HB3 ALA 7 -5.827 -3.529 -2.236 44 H LEU 8 H LEU 8 -7.251 -1.114 -0.452 45 HA LEU 8 HA LEU 8 -8.635 1.145 -1.729 46 HB2 LEU 8 HB2 LEU 8 -9.501 1.868 0.478 47 HB3 LEU 8 HB3 LEU 8 -10.201 0.354 -0.087 48 HG LEU 8 HG LEU 8 -7.778 0.308 1.730 49 HD11 LEU 8 HD11 LEU 8 -9.180 0.338 3.694 50 HD12 LEU 8 HD12 LEU 8 -10.647 0.356 2.716 51 HD13 LEU 8 HD13 LEU 8 -9.593 1.767 2.746 52 HD21 LEU 8 HD21 LEU 8 -9.148 -1.835 2.474 53 HD22 LEU 8 HD22 LEU 8 -8.280 -1.880 0.953 54 HD23 LEU 8 HD23 LEU 8 -10.017 -1.587 0.960 55 H ILE 9 H ILE 9 -7.891 3.165 -1.405 56 HA ILE 9 HA ILE 9 -5.207 3.416 -0.201 57 HB ILE 9 HB ILE 9 -6.312 4.850 -2.657 58 HG12 ILE 9 HG12 ILE 9 -4.024 2.857 -2.490 59 HG13 ILE 9 HG13 ILE 9 -5.677 2.372 -2.844 60 HG21 ILE 9 HG21 ILE 9 -4.043 5.781 -2.876 61 HG22 ILE 9 HG22 ILE 9 -3.518 4.909 -1.438 62 HG23 ILE 9 HG23 ILE 9 -4.697 6.212 -1.295 63 HD11 ILE 9 HD11 ILE 9 -5.674 3.988 -4.778 64 HD12 ILE 9 HD12 ILE 9 -4.510 2.675 -4.956 65 HD13 ILE 9 HD13 ILE 9 -3.962 4.278 -4.466 66 H LEU 10 H LEU 10 -4.719 5.289 0.919 67 HA LEU 10 HA LEU 10 -6.891 6.619 2.232 68 HB2 LEU 10 HB2 LEU 10 -3.928 7.280 2.172 69 HB3 LEU 10 HB3 LEU 10 -5.104 7.969 3.289 70 HG LEU 10 HG LEU 10 -4.480 5.001 3.083 71 HD11 LEU 10 HD11 LEU 10 -3.566 7.059 5.115 72 HD12 LEU 10 HD12 LEU 10 -2.542 6.289 3.904 73 HD13 LEU 10 HD13 LEU 10 -3.255 5.326 5.198 74 HD21 LEU 10 HD21 LEU 10 -6.715 5.447 3.991 75 HD22 LEU 10 HD22 LEU 10 -6.054 6.653 5.098 76 HD23 LEU 10 HD23 LEU 10 -5.639 4.951 5.295 77 H SER 11 H SER 11 -7.803 8.573 1.764 78 HA SER 11 HA SER 11 -6.550 10.265 -0.267 79 HB2 SER 11 HB2 SER 11 -8.682 10.638 -1.366 80 HB3 SER 11 HB3 SER 11 -8.244 8.942 -1.451 81 HG SER 11 HG SER 11 -9.938 10.114 0.522 82 H ASP 12 H ASP 12 -8.194 12.350 -0.402 83 HA ASP 12 HA ASP 12 -7.632 13.769 1.914 84 HB2 ASP 12 HB2 ASP 12 -8.021 14.869 -0.220 85 HB3 ASP 12 HB3 ASP 12 -9.709 14.388 -0.215 86 H ARG 13 H ARG 13 -10.623 12.089 0.967 87 HA ARG 13 HA ARG 13 -12.118 12.932 3.281 88 HB2 ARG 13 HB2 ARG 13 -13.102 12.063 1.091 89 HB3 ARG 13 HB3 ARG 13 -12.651 10.451 1.654 90 HG2 ARG 13 HG2 ARG 13 -13.946 11.310 3.891 91 HG3 ARG 13 HG3 ARG 13 -14.769 12.312 2.699 92 HD2 ARG 13 HD2 ARG 13 -16.052 10.301 2.926 93 HD3 ARG 13 HD3 ARG 13 -15.212 10.191 1.383 94 HE ARG 13 HE ARG 13 -13.955 8.410 2.241 95 HH11 ARG 13 HH11 ARG 13 -15.621 10.012 4.881 96 HH12 ARG 13 HH12 ARG 13 -15.199 8.799 6.042 97 HH21 ARG 13 HH21 ARG 13 -13.424 6.854 3.782 98 HH22 ARG 13 HH22 ARG 13 -13.960 7.021 5.420 99 H GLY 14 H GLY 14 -10.036 10.173 2.497 100 HA2 GLY 14 HA2 GLY 14 -8.905 9.316 4.651 101 HA3 GLY 14 HA3 GLY 14 -10.559 8.984 5.156 102 H TRP 15 H TRP 15 -10.149 6.729 5.320 103 HA TRP 15 HA TRP 15 -9.017 5.065 3.381 104 HB2 TRP 15 HB2 TRP 15 -10.925 4.687 5.664 105 HB3 TRP 15 HB3 TRP 15 -10.752 3.363 4.520 106 HD1 TRP 15 HD1 TRP 15 -8.590 1.958 4.599 107 HE1 TRP 15 HE1 TRP 15 -6.549 1.899 6.149 108 HE3 TRP 15 HE3 TRP 15 -9.308 6.309 7.182 109 HZ2 TRP 15 HZ2 TRP 15 -5.364 3.461 8.210 110 HZ3 TRP 15 HZ3 TRP 15 -7.690 6.994 8.941 111 HH2 TRP 15 HH2 TRP 15 -5.715 5.565 9.451 112 H LEU 16 H LEU 16 -9.625 5.047 1.275 113 HA LEU 16 HA LEU 16 -12.393 4.291 0.685 114 HB2 LEU 16 HB2 LEU 16 -11.011 6.687 -0.504 115 HB3 LEU 16 HB3 LEU 16 -12.336 5.878 -1.333 116 HG LEU 16 HG LEU 16 -12.541 6.892 1.519 117 HD11 LEU 16 HD11 LEU 16 -13.143 8.237 -1.121 118 HD12 LEU 16 HD12 LEU 16 -12.193 8.853 0.226 119 HD13 LEU 16 HD13 LEU 16 -13.944 8.731 0.365 120 HD21 LEU 16 HD21 LEU 16 -14.532 5.917 -0.563 121 HD22 LEU 16 HD22 LEU 16 -15.026 6.796 0.884 122 HD23 LEU 16 HD23 LEU 16 -14.231 5.231 1.034 123 H ARG 17 H ARG 17 -12.692 3.157 -1.254 124 HA ARG 17 HA ARG 17 -10.702 1.337 -1.876 125 HB2 ARG 17 HB2 ARG 17 -13.078 0.905 -2.320 126 HB3 ARG 17 HB3 ARG 17 -13.064 2.101 -3.614 127 HG2 ARG 17 HG2 ARG 17 -11.569 0.781 -4.947 128 HG3 ARG 17 HG3 ARG 17 -11.193 -0.287 -3.597 129 HD2 ARG 17 HD2 ARG 17 -13.976 -0.020 -4.750 130 HD3 ARG 17 HD3 ARG 17 -12.817 -1.216 -5.323 131 HE ARG 17 HE ARG 17 -12.931 -1.501 -2.544 132 HH11 ARG 17 HH11 ARG 17 -15.132 -1.873 -5.260 133 HH12 ARG 17 HH12 ARG 17 -16.100 -3.069 -4.463 134 HH21 ARG 17 HH21 ARG 17 -14.230 -3.042 -1.541 135 HH22 ARG 17 HH22 ARG 17 -15.588 -3.728 -2.370 136 H ILE 18 H ILE 18 -9.352 1.010 -3.549 137 HA ILE 18 HA ILE 18 -7.635 2.981 -4.355 138 HB ILE 18 HB ILE 18 -6.876 1.398 -6.117 139 HG12 ILE 18 HG12 ILE 18 -8.329 -0.961 -5.649 140 HG13 ILE 18 HG13 ILE 18 -9.602 0.227 -5.604 141 HG21 ILE 18 HG21 ILE 18 -6.751 -0.623 -4.280 142 HG22 ILE 18 HG22 ILE 18 -7.185 0.725 -3.236 143 HG23 ILE 18 HG23 ILE 18 -5.747 0.819 -4.242 144 HD11 ILE 18 HD11 ILE 18 -7.692 -0.376 -7.844 145 HD12 ILE 18 HD12 ILE 18 -8.612 1.130 -7.799 146 HD13 ILE 18 HD13 ILE 18 -9.457 -0.418 -7.871 147 H ASP 19 H ASP 19 -10.728 2.289 -5.808 148 HA ASP 19 HA ASP 19 -10.026 4.011 -8.115 149 HB2 ASP 19 HB2 ASP 19 -11.540 2.769 -9.480 150 HB3 ASP 19 HB3 ASP 19 -10.634 1.596 -8.551 151 H ASP 20 H ASP 20 -11.274 4.643 -5.301 152 HA ASP 20 HA ASP 20 -13.851 5.750 -5.938 153 HB2 ASP 20 HB2 ASP 20 -12.094 6.004 -3.497 154 HB3 ASP 20 HB3 ASP 20 -13.652 6.809 -3.642 155 HA PRO 21 HA PRO 21 -13.017 9.744 -7.688 156 HB2 PRO 21 HB2 PRO 21 -14.779 10.883 -5.562 157 HB3 PRO 21 HB3 PRO 21 -14.822 11.122 -7.325 158 HG2 PRO 21 HG2 PRO 21 -16.579 9.547 -6.211 159 HG3 PRO 21 HG3 PRO 21 -15.775 9.037 -7.710 160 HD2 PRO 21 HD2 PRO 21 -15.250 8.125 -4.899 161 HD3 PRO 21 HD3 PRO 21 -15.288 7.177 -6.410 162 H THR 22 H THR 22 -12.759 9.557 -4.137 163 HA THR 22 HA THR 22 -11.522 12.022 -3.679 164 HB THR 22 HB THR 22 -10.686 10.997 -1.560 165 HG1 THR 22 HG1 THR 22 -11.843 8.696 -2.747 166 HG21 THR 22 HG21 THR 22 -13.037 11.915 -1.973 167 HG22 THR 22 HG22 THR 22 -12.840 10.817 -0.611 168 HG23 THR 22 HG23 THR 22 -13.545 10.231 -2.118 169 H LEU 23 H LEU 23 -10.100 8.991 -4.797 170 HA LEU 23 HA LEU 23 -7.435 10.193 -4.708 171 HB2 LEU 23 HB2 LEU 23 -6.553 8.091 -5.384 172 HB3 LEU 23 HB3 LEU 23 -7.752 7.770 -4.150 173 HG LEU 23 HG LEU 23 -9.107 7.732 -6.739 174 HD11 LEU 23 HD11 LEU 23 -6.784 7.238 -7.583 175 HD12 LEU 23 HD12 LEU 23 -7.997 6.005 -7.935 176 HD13 LEU 23 HD13 LEU 23 -6.837 5.754 -6.631 177 HD21 LEU 23 HD21 LEU 23 -9.896 6.516 -4.771 178 HD22 LEU 23 HD22 LEU 23 -8.451 5.498 -4.802 179 HD23 LEU 23 HD23 LEU 23 -9.615 5.431 -6.124 180 H GLN 24 H GLN 24 -10.092 9.705 -6.911 181 HA GLN 24 HA GLN 24 -8.705 9.895 -9.376 182 HB2 GLN 24 HB2 GLN 24 -11.527 10.776 -8.716 183 HB3 GLN 24 HB3 GLN 24 -10.879 10.563 -10.335 184 HG2 GLN 24 HG2 GLN 24 -11.144 8.387 -8.252 185 HG3 GLN 24 HG3 GLN 24 -12.196 8.597 -9.641 186 HE21 GLN 24 HE21 GLN 24 -10.156 6.416 -8.755 187 HE22 GLN 24 HE22 GLN 24 -9.244 6.152 -10.157 188 H GLU 25 H GLU 25 -10.133 12.425 -7.257 189 HA GLU 25 HA GLU 25 -8.683 14.456 -8.851 190 HB2 GLU 25 HB2 GLU 25 -11.543 14.671 -7.913 191 HB3 GLU 25 HB3 GLU 25 -10.625 15.970 -8.672 192 HG2 GLU 25 HG2 GLU 25 -10.291 14.553 -10.676 193 HG3 GLU 25 HG3 GLU 25 -11.241 13.274 -9.921 194 H CYS 26 H CYS 26 -9.087 13.266 -5.690 195 HA CYS 26 HA CYS 26 -8.344 15.901 -4.573 196 HB2 CYS 26 HB2 CYS 26 -9.910 13.695 -3.207 197 HB3 CYS 26 HB3 CYS 26 -9.293 15.134 -2.412 198 HG CYS 26 HG CYS 26 -11.337 15.313 -4.773 199 H ARG 27 H ARG 27 -7.030 15.888 -2.693 200 HA ARG 27 HA ARG 27 -4.544 14.771 -3.153 201 HB2 ARG 27 HB2 ARG 27 -5.724 15.831 -0.586 202 HB3 ARG 27 HB3 ARG 27 -4.009 15.505 -0.835 203 HG2 ARG 27 HG2 ARG 27 -3.856 17.161 -2.568 204 HG3 ARG 27 HG3 ARG 27 -5.612 17.355 -2.617 205 HD2 ARG 27 HD2 ARG 27 -3.927 17.939 -0.171 206 HD3 ARG 27 HD3 ARG 27 -4.422 19.166 -1.336 207 HE ARG 27 HE ARG 27 -6.138 17.826 0.618 208 HH11 ARG 27 HH11 ARG 27 -6.026 19.756 -2.318 209 HH12 ARG 27 HH12 ARG 27 -7.647 20.341 -2.137 210 HH21 ARG 27 HH21 ARG 27 -8.239 18.625 0.822 211 HH22 ARG 27 HH22 ARG 27 -8.891 19.703 -0.367 212 H VAL 28 H VAL 28 -3.304 13.179 -2.140 213 HA VAL 28 HA VAL 28 -4.757 11.188 -0.514 214 HB VAL 28 HB VAL 28 -3.562 9.355 -1.677 215 HG11 VAL 28 HG11 VAL 28 -5.356 11.205 -3.255 216 HG12 VAL 28 HG12 VAL 28 -5.784 9.719 -2.412 217 HG13 VAL 28 HG13 VAL 28 -4.839 9.644 -3.897 218 HG21 VAL 28 HG21 VAL 28 -2.622 11.653 -3.418 219 HG22 VAL 28 HG22 VAL 28 -2.588 9.975 -3.956 220 HG23 VAL 28 HG23 VAL 28 -1.625 10.473 -2.564 221 H LEU 29 H LEU 29 -3.374 9.732 0.752 222 HA LEU 29 HA LEU 29 -1.431 11.284 2.175 223 HB2 LEU 29 HB2 LEU 29 -3.129 9.124 2.792 224 HB3 LEU 29 HB3 LEU 29 -1.517 8.451 2.945 225 HG LEU 29 HG LEU 29 -2.282 9.339 5.107 226 HD11 LEU 29 HD11 LEU 29 0.137 9.526 4.493 227 HD12 LEU 29 HD12 LEU 29 -0.387 10.722 5.678 228 HD13 LEU 29 HD13 LEU 29 -0.163 11.191 3.993 229 HD21 LEU 29 HD21 LEU 29 -3.789 11.115 4.021 230 HD22 LEU 29 HD22 LEU 29 -2.340 12.111 3.879 231 HD23 LEU 29 HD23 LEU 29 -2.918 11.617 5.469 232 H SER 30 H SER 30 0.716 11.188 2.207 233 HA SER 30 HA SER 30 2.210 8.961 1.090 234 HB2 SER 30 HB2 SER 30 1.763 10.289 -0.935 235 HB3 SER 30 HB3 SER 30 2.403 11.723 -0.139 236 HG SER 30 HG SER 30 3.849 9.303 -0.496 237 H TYR 31 H TYR 31 4.492 9.078 1.618 238 HA TYR 31 HA TYR 31 4.946 10.587 4.062 239 HB2 TYR 31 HB2 TYR 31 5.575 8.168 3.892 240 HB3 TYR 31 HB3 TYR 31 6.752 8.598 2.650 241 HD1 TYR 31 HD1 TYR 31 5.828 9.077 6.221 242 HD2 TYR 31 HD2 TYR 31 8.862 9.593 3.224 243 HE1 TYR 31 HE1 TYR 31 7.472 9.654 7.985 244 HE2 TYR 31 HE2 TYR 31 10.505 10.170 4.987 245 HH TYR 31 HH TYR 31 9.579 10.861 8.206 246 H ASN 32 H ASN 32 5.664 12.601 3.876 247 HA ASN 32 HA ASN 32 7.005 13.466 1.479 248 HB2 ASN 32 HB2 ASN 32 5.500 14.736 3.525 249 HB3 ASN 32 HB3 ASN 32 7.108 15.442 3.609 250 HD21 ASN 32 HD21 ASN 32 7.877 15.474 0.890 251 HD22 ASN 32 HD22 ASN 32 6.804 16.448 0.007 252 H GLU 33 H GLU 33 8.905 12.420 1.354 253 HA GLU 33 HA GLU 33 10.742 11.959 3.422 254 HB2 GLU 33 HB2 GLU 33 11.182 12.303 0.451 255 HB3 GLU 33 HB3 GLU 33 12.453 11.811 1.568 256 HG2 GLU 33 HG2 GLU 33 11.218 9.835 2.216 257 HG3 GLU 33 HG3 GLU 33 9.808 10.358 1.304 258 H SER 34 H SER 34 10.198 14.824 1.475 259 HA SER 34 HA SER 34 12.603 16.201 1.900 260 HB2 SER 34 HB2 SER 34 10.968 16.872 0.210 261 HB3 SER 34 HB3 SER 34 9.809 17.272 1.473 262 HG SER 34 HG SER 34 10.905 19.051 1.911 263 H THR 35 H THR 35 9.581 16.192 3.745 264 HA THR 35 HA THR 35 10.803 17.885 5.816 265 HB THR 35 HB THR 35 7.918 17.021 5.609 266 HG1 THR 35 HG1 THR 35 9.236 19.334 4.621 267 HG21 THR 35 HG21 THR 35 7.653 19.169 6.922 268 HG22 THR 35 HG22 THR 35 9.408 19.167 7.112 269 HG23 THR 35 HG23 THR 35 8.447 17.847 7.781 270 H GLN 36 H GLN 36 10.131 14.598 5.229 271 HA GLN 36 HA GLN 36 10.259 12.695 6.471 272 HB2 GLN 36 HB2 GLN 36 11.427 14.473 8.641 273 HB3 GLN 36 HB3 GLN 36 11.494 12.713 8.598 274 HG2 GLN 36 HG2 GLN 36 13.590 13.344 7.738 275 HG3 GLN 36 HG3 GLN 36 12.648 13.037 6.281 276 HE21 GLN 36 HE21 GLN 36 13.012 15.855 8.523 277 HE22 GLN 36 HE22 GLN 36 13.259 16.985 7.282 278 H GLN 37 H GLN 37 7.889 14.388 6.480 279 HA GLN 37 HA GLN 37 6.558 13.294 8.870 280 HB2 GLN 37 HB2 GLN 37 6.187 16.125 7.837 281 HB3 GLN 37 HB3 GLN 37 5.248 15.373 9.125 282 HG2 GLN 37 HG2 GLN 37 8.256 15.788 9.199 283 HG3 GLN 37 HG3 GLN 37 7.080 16.821 10.007 284 HE21 GLN 37 HE21 GLN 37 5.389 15.251 11.344 285 HE22 GLN 37 HE22 GLN 37 6.178 14.132 12.348 286 H TRP 38 H TRP 38 4.205 13.075 8.593 287 HA TRP 38 HA TRP 38 3.525 12.110 5.973 288 HB2 TRP 38 HB2 TRP 38 1.885 12.506 8.485 289 HB3 TRP 38 HB3 TRP 38 1.223 11.838 6.994 290 HD1 TRP 38 HD1 TRP 38 3.050 10.883 10.063 291 HE1 TRP 38 HE1 TRP 38 3.833 8.434 9.922 292 HE3 TRP 38 HE3 TRP 38 2.227 9.980 5.102 293 HZ2 TRP 38 HZ2 TRP 38 4.089 6.365 7.960 294 HZ3 TRP 38 HZ3 TRP 38 2.753 7.761 4.124 295 HH2 TRP 38 HH2 TRP 38 3.682 5.954 5.548 296 H GLU 39 H GLU 39 2.482 13.115 4.356 297 HA GLU 39 HA GLU 39 1.050 15.621 4.860 298 HB2 GLU 39 HB2 GLU 39 3.327 15.384 2.889 299 HB3 GLU 39 HB3 GLU 39 2.233 16.762 3.004 300 HG2 GLU 39 HG2 GLU 39 2.934 17.106 5.360 301 HG3 GLU 39 HG3 GLU 39 4.055 15.755 5.211 302 H TRP 40 H TRP 40 -0.278 16.318 3.073 303 HA TRP 40 HA TRP 40 -1.279 14.047 1.507 304 HB2 TRP 40 HB2 TRP 40 -2.443 16.602 2.513 305 HB3 TRP 40 HB3 TRP 40 -3.003 16.102 0.924 306 HD1 TRP 40 HD1 TRP 40 -3.764 13.348 0.881 307 HE1 TRP 40 HE1 TRP 40 -5.279 12.153 2.588 308 HE3 TRP 40 HE3 TRP 40 -3.308 16.534 4.847 309 HZ2 TRP 40 HZ2 TRP 40 -6.179 12.496 5.268 310 HZ3 TRP 40 HZ3 TRP 40 -4.509 16.075 6.968 311 HH2 TRP 40 HH2 TRP 40 -5.944 14.061 7.184 312 H GLN 41 H GLN 41 -0.730 13.770 -0.508 313 HA GLN 41 HA GLN 41 0.462 15.983 -2.045 314 HB2 GLN 41 HB2 GLN 41 0.520 12.993 -2.548 315 HB3 GLN 41 HB3 GLN 41 1.310 14.216 -3.538 316 HG2 GLN 41 HG2 GLN 41 1.895 13.708 -0.599 317 HG3 GLN 41 HG3 GLN 41 2.900 13.159 -1.937 318 HE21 GLN 41 HE21 GLN 41 3.234 15.297 0.355 319 HE22 GLN 41 HE22 GLN 41 3.847 16.643 -0.478 320 H GLN 42 H GLN 42 -0.051 15.834 -4.509 321 HA GLN 42 HA GLN 42 -2.965 15.622 -4.720 322 HB2 GLN 42 HB2 GLN 42 -0.925 17.382 -5.922 323 HB3 GLN 42 HB3 GLN 42 -2.094 16.791 -7.099 324 HG2 GLN 42 HG2 GLN 42 -3.105 17.888 -4.478 325 HG3 GLN 42 HG3 GLN 42 -2.575 19.007 -5.730 326 HE21 GLN 42 HE21 GLN 42 -4.528 15.943 -5.692 327 HE22 GLN 42 HE22 GLN 42 -5.764 16.561 -6.662 328 H VAL 43 H VAL 43 -3.991 14.308 -6.072 329 HA VAL 43 HA VAL 43 -2.608 12.023 -7.058 330 HB VAL 43 HB VAL 43 -4.810 11.331 -7.907 331 HG11 VAL 43 HG11 VAL 43 -6.003 11.506 -5.606 332 HG12 VAL 43 HG12 VAL 43 -4.555 12.358 -5.091 333 HG13 VAL 43 HG13 VAL 43 -4.437 10.703 -5.692 334 HG21 VAL 43 HG21 VAL 43 -5.657 14.102 -7.010 335 HG22 VAL 43 HG22 VAL 43 -6.793 12.800 -7.367 336 HG23 VAL 43 HG23 VAL 43 -5.743 13.432 -8.638 337 H LEU 44 H LEU 44 -1.540 11.946 -8.752 338 HA LEU 44 HA LEU 44 -1.361 13.968 -10.698 339 HB2 LEU 44 HB2 LEU 44 0.371 12.286 -9.706 340 HB3 LEU 44 HB3 LEU 44 -0.196 11.237 -10.996 341 HG LEU 44 HG LEU 44 0.259 13.191 -12.596 342 HD11 LEU 44 HD11 LEU 44 1.578 14.135 -10.054 343 HD12 LEU 44 HD12 LEU 44 0.413 14.995 -11.057 344 HD13 LEU 44 HD13 LEU 44 2.063 14.740 -11.644 345 HD21 LEU 44 HD21 LEU 44 2.477 11.792 -11.072 346 HD22 LEU 44 HD22 LEU 44 2.772 12.740 -12.530 347 HD23 LEU 44 HD23 LEU 44 1.752 11.301 -12.604 348 H ARG 45 H ARG 45 -2.096 10.495 -11.069 349 HA ARG 45 HA ARG 45 -4.095 10.924 -13.106 350 HB2 ARG 45 HB2 ARG 45 -2.069 11.459 -14.360 351 HB3 ARG 45 HB3 ARG 45 -1.321 9.946 -13.883 352 HG2 ARG 45 HG2 ARG 45 -3.339 8.790 -15.018 353 HG3 ARG 45 HG3 ARG 45 -3.740 10.374 -15.680 354 HD2 ARG 45 HD2 ARG 45 -1.108 8.922 -16.085 355 HD3 ARG 45 HD3 ARG 45 -2.400 9.037 -17.273 356 HE ARG 45 HE ARG 45 -1.781 11.657 -16.592 357 HH11 ARG 45 HH11 ARG 45 -0.039 8.928 -17.964 358 HH12 ARG 45 HH12 ARG 45 1.057 9.920 -18.866 359 HH21 ARG 45 HH21 ARG 45 -0.324 12.918 -17.789 360 HH22 ARG 45 HH22 ARG 45 0.895 12.165 -18.763 361 H TRP 46 H TRP 46 -5.452 9.245 -12.942 362 HA TRP 46 HA TRP 46 -4.727 6.911 -11.400 363 HB2 TRP 46 HB2 TRP 46 -6.964 8.020 -11.242 364 HB3 TRP 46 HB3 TRP 46 -7.291 7.506 -12.895 365 HD1 TRP 46 HD1 TRP 46 -6.248 5.868 -9.541 366 HE1 TRP 46 HE1 TRP 46 -7.439 3.591 -9.368 367 HE3 TRP 46 HE3 TRP 46 -8.646 5.787 -14.046 368 HZ2 TRP 46 HZ2 TRP 46 -9.178 1.956 -10.928 369 HZ3 TRP 46 HZ3 TRP 46 -10.068 3.855 -14.676 370 HH2 TRP 46 HH2 TRP 46 -10.336 1.940 -13.121 371 H LEU 47 H LEU 47 -3.710 5.232 -12.244 372 HA LEU 47 HA LEU 47 -3.961 4.669 -15.129 373 HB2 LEU 47 HB2 LEU 47 -1.878 3.555 -13.235 374 HB3 LEU 47 HB3 LEU 47 -1.895 3.465 -14.988 375 HG LEU 47 HG LEU 47 -1.974 6.173 -14.746 376 HD11 LEU 47 HD11 LEU 47 -0.670 6.971 -12.886 377 HD12 LEU 47 HD12 LEU 47 -0.318 5.330 -12.352 378 HD13 LEU 47 HD13 LEU 47 -1.950 5.969 -12.210 379 HD21 LEU 47 HD21 LEU 47 -0.256 5.040 -16.013 380 HD22 LEU 47 HD22 LEU 47 0.468 4.391 -14.540 381 HD23 LEU 47 HD23 LEU 47 0.559 6.121 -14.879 382 H ASP 48 H ASP 48 -5.112 3.000 -15.775 383 HA ASP 48 HA ASP 48 -5.948 0.942 -13.858 384 HB2 ASP 48 HB2 ASP 48 -7.678 1.975 -15.277 385 HB3 ASP 48 HB3 ASP 48 -6.812 1.452 -16.710 386 H GLN 49 H GLN 49 -4.359 -0.497 -13.597 387 HA GLN 49 HA GLN 49 -2.406 -1.275 -15.468 388 HB2 GLN 49 HB2 GLN 49 -3.515 -2.597 -13.028 389 HB3 GLN 49 HB3 GLN 49 -2.143 -3.239 -13.931 390 HG2 GLN 49 HG2 GLN 49 -0.866 -1.231 -13.507 391 HG3 GLN 49 HG3 GLN 49 -2.268 -0.450 -12.765 392 HE21 GLN 49 HE21 GLN 49 -0.623 -3.642 -12.401 393 HE22 GLN 49 HE22 GLN 49 -0.642 -3.617 -10.711 394 H GLY 50 H GLY 50 -5.485 -2.759 -14.556 395 HA2 GLY 50 HA2 GLY 50 -6.822 -4.061 -16.105 396 HA3 GLY 50 HA3 GLY 50 -5.324 -4.516 -16.920 397 H VAL 51 H VAL 51 -4.256 -6.296 -16.326 398 HA VAL 51 HA VAL 51 -5.113 -7.642 -13.829 399 HB VAL 51 HB VAL 51 -4.738 -9.810 -14.964 400 HG11 VAL 51 HG11 VAL 51 -6.692 -7.974 -16.371 401 HG12 VAL 51 HG12 VAL 51 -6.993 -8.844 -14.867 402 HG13 VAL 51 HG13 VAL 51 -6.762 -9.736 -16.372 403 HG21 VAL 51 HG21 VAL 51 -4.619 -9.768 -17.499 404 HG22 VAL 51 HG22 VAL 51 -3.159 -9.180 -16.706 405 HG23 VAL 51 HG23 VAL 51 -4.307 -8.035 -17.396 406 H ARG 52 H ARG 52 -3.570 -8.047 -12.429 407 HA ARG 52 HA ARG 52 -0.831 -8.637 -13.263 408 HB2 ARG 52 HB2 ARG 52 -1.000 -6.114 -13.059 409 HB3 ARG 52 HB3 ARG 52 -1.271 -6.350 -11.332 410 HG2 ARG 52 HG2 ARG 52 0.874 -7.586 -11.174 411 HG3 ARG 52 HG3 ARG 52 1.147 -7.315 -12.896 412 HD2 ARG 52 HD2 ARG 52 0.949 -4.807 -12.390 413 HD3 ARG 52 HD3 ARG 52 1.015 -5.249 -10.696 414 HE ARG 52 HE ARG 52 3.205 -6.501 -11.830 415 HH11 ARG 52 HH11 ARG 52 2.090 -3.181 -11.598 416 HH12 ARG 52 HH12 ARG 52 3.689 -2.513 -11.618 417 HH21 ARG 52 HH21 ARG 52 5.279 -5.589 -11.840 418 HH22 ARG 52 HH22 ARG 52 5.481 -3.872 -11.754 419 H GLU 53 H GLU 53 0.342 -9.815 -11.790 420 HA GLU 53 HA GLU 53 -0.981 -11.329 -9.800 421 HB2 GLU 53 HB2 GLU 53 1.085 -12.060 -10.984 422 HB3 GLU 53 HB3 GLU 53 1.996 -10.817 -10.130 423 HG2 GLU 53 HG2 GLU 53 1.420 -11.869 -7.966 424 HG3 GLU 53 HG3 GLU 53 0.489 -13.097 -8.810 425 H THR 54 H THR 54 -1.074 -11.128 -7.515 426 HA THR 54 HA THR 54 0.280 -8.778 -6.342 427 HB THR 54 HB THR 54 -2.008 -8.038 -7.033 428 HG1 THR 54 HG1 THR 54 -1.049 -6.981 -5.363 429 HG21 THR 54 HG21 THR 54 -3.557 -9.075 -4.905 430 HG22 THR 54 HG22 THR 54 -2.830 -10.486 -5.674 431 HG23 THR 54 HG23 THR 54 -3.796 -9.357 -6.624 432 H TRP 55 H TRP 55 0.579 -8.764 -4.119 433 HA TRP 55 HA TRP 55 0.170 -11.345 -2.747 434 HB2 TRP 55 HB2 TRP 55 2.503 -9.428 -2.646 435 HB3 TRP 55 HB3 TRP 55 2.239 -10.653 -1.410 436 HD1 TRP 55 HD1 TRP 55 1.978 -10.894 -5.297 437 HE1 TRP 55 HE1 TRP 55 3.430 -12.884 -6.059 438 HE3 TRP 55 HE3 TRP 55 3.949 -12.358 -0.809 439 HZ2 TRP 55 HZ2 TRP 55 5.193 -14.814 -4.942 440 HZ3 TRP 55 HZ3 TRP 55 5.519 -14.272 -0.696 441 HH2 TRP 55 HH2 TRP 55 6.142 -15.501 -2.757 442 H LYS 56 H LYS 56 -0.998 -11.276 -0.913 443 HA LYS 56 HA LYS 56 -1.952 -8.705 0.065 444 HB2 LYS 56 HB2 LYS 56 -3.607 -10.508 -0.227 445 HB3 LYS 56 HB3 LYS 56 -2.711 -11.532 0.891 446 HG2 LYS 56 HG2 LYS 56 -3.121 -9.859 2.728 447 HG3 LYS 56 HG3 LYS 56 -4.075 -8.892 1.612 448 HD2 LYS 56 HD2 LYS 56 -4.708 -11.792 2.213 449 HD3 LYS 56 HD3 LYS 56 -5.404 -10.451 3.123 450 HE2 LYS 56 HE2 LYS 56 -6.314 -9.515 1.006 451 HE3 LYS 56 HE3 LYS 56 -5.677 -10.910 0.136 452 HZ1 LYS 56 HZ1 LYS 56 -8.116 -10.887 1.031 453 HZ2 LYS 56 HZ2 LYS 56 -7.371 -11.369 2.480 454 HZ3 LYS 56 HZ3 LYS 56 -7.193 -12.308 1.075 455 H ILE 57 H ILE 57 -0.205 -7.808 1.057 456 HA ILE 57 HA ILE 57 1.195 -9.159 3.204 457 HB ILE 57 HB ILE 57 1.245 -6.174 2.630 458 HG12 ILE 57 HG12 ILE 57 3.631 -7.191 1.551 459 HG13 ILE 57 HG13 ILE 57 2.494 -8.458 1.117 460 HG21 ILE 57 HG21 ILE 57 2.213 -6.533 4.728 461 HG22 ILE 57 HG22 ILE 57 3.605 -6.539 3.648 462 HG23 ILE 57 HG23 ILE 57 2.950 -8.061 4.248 463 HD11 ILE 57 HD11 ILE 57 1.112 -6.913 -0.093 464 HD12 ILE 57 HD12 ILE 57 2.777 -6.599 -0.584 465 HD13 ILE 57 HD13 ILE 57 1.981 -5.527 0.566 466 H LYS 58 H LYS 58 0.163 -9.596 4.984 467 HA LYS 58 HA LYS 58 -1.956 -7.834 5.955 468 HB2 LYS 58 HB2 LYS 58 -2.357 -10.320 5.725 469 HB3 LYS 58 HB3 LYS 58 -1.161 -10.564 6.983 470 HG2 LYS 58 HG2 LYS 58 -2.450 -9.277 8.603 471 HG3 LYS 58 HG3 LYS 58 -3.603 -8.794 7.366 472 HD2 LYS 58 HD2 LYS 58 -4.618 -10.549 8.642 473 HD3 LYS 58 HD3 LYS 58 -4.182 -11.250 7.080 474 HE2 LYS 58 HE2 LYS 58 -2.136 -12.199 8.088 475 HE3 LYS 58 HE3 LYS 58 -2.560 -11.472 9.638 476 HZ1 LYS 58 HZ1 LYS 58 -4.642 -12.759 9.574 477 HZ2 LYS 58 HZ2 LYS 58 -3.258 -13.744 9.628 478 HZ3 LYS 58 HZ3 LYS 58 -4.102 -13.536 8.168 479 H THR 59 H THR 59 -1.761 -6.579 7.671 480 HA THR 59 HA THR 59 0.470 -7.015 9.564 481 HB THR 59 HB THR 59 0.934 -4.681 9.753 482 HG1 THR 59 HG1 THR 59 -1.121 -4.159 7.875 483 HG21 THR 59 HG21 THR 59 1.870 -4.176 7.649 484 HG22 THR 59 HG22 THR 59 0.541 -4.943 6.781 485 HG23 THR 59 HG23 THR 59 1.733 -5.936 7.622 486 H PHE 60 H PHE 60 0.078 -6.004 11.662 487 HA PHE 60 HA PHE 60 -2.350 -6.889 12.716 488 HB2 PHE 60 HB2 PHE 60 -0.238 -6.689 14.013 489 HB3 PHE 60 HB3 PHE 60 -0.399 -4.935 13.979 490 HD1 PHE 60 HD1 PHE 60 -2.009 -8.078 15.164 491 HD2 PHE 60 HD2 PHE 60 -1.875 -3.797 15.482 492 HE1 PHE 60 HE1 PHE 60 -3.489 -8.179 17.150 493 HE2 PHE 60 HE2 PHE 60 -3.355 -3.897 17.469 494 HZ PHE 60 HZ PHE 60 -4.162 -6.087 18.305 495 H GLN 61 H GLN 61 -1.317 -3.627 11.768 496 HA GLN 61 HA GLN 61 -3.784 -2.443 12.770 497 HB2 GLN 61 HB2 GLN 61 -1.464 -1.230 11.250 498 HB3 GLN 61 HB3 GLN 61 -2.830 -0.322 11.896 499 HG2 GLN 61 HG2 GLN 61 -2.267 -1.156 14.174 500 HG3 GLN 61 HG3 GLN 61 -0.856 -1.967 13.494 501 HE21 GLN 61 HE21 GLN 61 0.916 -0.752 14.178 502 HE22 GLN 61 HE22 GLN 61 1.043 0.939 14.005 503 H THR 62 H THR 62 -2.413 -3.414 9.667 504 HA THR 62 HA THR 62 -5.023 -3.000 8.400 505 HB THR 62 HB THR 62 -4.138 -1.690 6.537 506 HG1 THR 62 HG1 THR 62 -1.727 -1.996 7.963 507 HG21 THR 62 HG21 THR 62 -3.350 -0.438 9.188 508 HG22 THR 62 HG22 THR 62 -4.986 -0.462 8.530 509 HG23 THR 62 HG23 THR 62 -3.713 0.428 7.701 510 H GLU 63 H GLU 63 -4.744 -3.596 5.935 511 HA GLU 63 HA GLU 63 -2.792 -5.604 5.315 512 HB2 GLU 63 HB2 GLU 63 -4.356 -7.458 4.915 513 HB3 GLU 63 HB3 GLU 63 -4.433 -6.970 6.608 514 HG2 GLU 63 HG2 GLU 63 -6.449 -5.568 6.054 515 HG3 GLU 63 HG3 GLU 63 -6.385 -6.213 4.416 516 H ILE 64 H ILE 64 -2.617 -5.904 3.041 517 HA ILE 64 HA ILE 64 -4.608 -4.838 1.261 518 HB ILE 64 HB ILE 64 -3.579 -2.778 2.206 519 HG12 ILE 64 HG12 ILE 64 -2.943 -1.769 -0.050 520 HG13 ILE 64 HG13 ILE 64 -3.176 -3.374 -0.740 521 HG21 ILE 64 HG21 ILE 64 -1.286 -3.798 2.504 522 HG22 ILE 64 HG22 ILE 64 -1.298 -2.187 1.788 523 HG23 ILE 64 HG23 ILE 64 -1.049 -3.603 0.767 524 HD11 ILE 64 HD11 ILE 64 -5.312 -2.051 0.943 525 HD12 ILE 64 HD12 ILE 64 -5.490 -3.385 -0.189 526 HD13 ILE 64 HD13 ILE 64 -5.187 -1.753 -0.789 527 H LYS 65 H LYS 65 -4.204 -5.330 -0.934 528 HA LYS 65 HA LYS 65 -1.909 -7.131 -1.337 529 HB2 LYS 65 HB2 LYS 65 -4.315 -7.209 -3.155 530 HB3 LYS 65 HB3 LYS 65 -3.081 -8.420 -2.816 531 HG2 LYS 65 HG2 LYS 65 -4.805 -9.339 -1.574 532 HG3 LYS 65 HG3 LYS 65 -4.074 -8.310 -0.350 533 HD2 LYS 65 HD2 LYS 65 -6.385 -7.806 -0.208 534 HD3 LYS 65 HD3 LYS 65 -5.720 -6.482 -1.159 535 HE2 LYS 65 HE2 LYS 65 -6.387 -7.639 -3.239 536 HE3 LYS 65 HE3 LYS 65 -7.062 -8.957 -2.283 537 HZ1 LYS 65 HZ1 LYS 65 -8.910 -7.687 -2.578 538 HZ2 LYS 65 HZ2 LYS 65 -8.049 -6.223 -2.634 539 HZ3 LYS 65 HZ3 LYS 65 -8.333 -6.992 -1.145 540 H CYS 66 H CYS 66 -0.371 -6.495 -2.585 541 HA CYS 66 HA CYS 66 -0.848 -4.770 -4.891 542 HB2 CYS 66 HB2 CYS 66 0.914 -3.187 -4.186 543 HB3 CYS 66 HB3 CYS 66 -0.390 -3.227 -3.006 544 HG CYS 66 HG CYS 66 1.106 -4.352 -1.335 545 H THR 67 H THR 67 1.362 -4.479 -6.129 546 HA THR 67 HA THR 67 2.292 -6.877 -7.039 547 HB THR 67 HB THR 67 4.503 -5.542 -7.514 548 HG1 THR 67 HG1 THR 67 3.620 -3.953 -5.793 549 HG21 THR 67 HG21 THR 67 3.086 -5.847 -9.343 550 HG22 THR 67 HG22 THR 67 3.135 -4.089 -9.191 551 HG23 THR 67 HG23 THR 67 1.745 -4.985 -8.586 552 H GLY 68 H GLY 68 3.867 -8.349 -6.570 553 HA2 GLY 68 HA2 GLY 68 4.822 -8.378 -3.809 554 HA3 GLY 68 HA3 GLY 68 4.825 -9.729 -4.929 555 H ASN 69 H ASN 69 6.095 -7.191 -6.659 556 HA ASN 69 HA ASN 69 8.860 -7.943 -5.920 557 HB2 ASN 69 HB2 ASN 69 7.661 -7.306 -8.606 558 HB3 ASN 69 HB3 ASN 69 9.404 -7.374 -8.320 559 HD21 ASN 69 HD21 ASN 69 6.533 -9.313 -8.756 560 HD22 ASN 69 HD22 ASN 69 7.290 -10.822 -8.569 561 H HIS 70 H HIS 70 6.702 -5.287 -6.166 562 HA HIS 70 HA HIS 70 8.668 -3.243 -6.605 563 HB2 HIS 70 HB2 HIS 70 6.901 -1.669 -6.329 564 HB3 HIS 70 HB3 HIS 70 6.139 -3.062 -7.080 565 HD2 HIS 70 HD2 HIS 70 5.900 -4.697 -4.022 566 HE1 HIS 70 HE1 HIS 70 3.285 -1.496 -3.181 567 HE2 HIS 70 HE2 HIS 70 4.033 -3.808 -2.441 568 H LEU 71 H LEU 71 9.379 -1.640 -5.058 569 HA LEU 71 HA LEU 71 10.009 -2.807 -2.462 570 HB2 LEU 71 HB2 LEU 71 10.758 -0.090 -3.597 571 HB3 LEU 71 HB3 LEU 71 11.417 -0.830 -2.144 572 HG LEU 71 HG LEU 71 11.669 -2.052 -4.915 573 HD11 LEU 71 HD11 LEU 71 13.722 -0.493 -3.313 574 HD12 LEU 71 HD12 LEU 71 12.857 0.130 -4.718 575 HD13 LEU 71 HD13 LEU 71 13.972 -1.226 -4.898 576 HD21 LEU 71 HD21 LEU 71 12.008 -3.809 -3.407 577 HD22 LEU 71 HD22 LEU 71 12.683 -2.773 -2.154 578 HD23 LEU 71 HD23 LEU 71 13.653 -3.212 -3.558 579 H ILE 72 H ILE 72 9.160 -2.180 -0.518 580 HA ILE 72 HA ILE 72 7.290 0.104 -0.460 581 HB ILE 72 HB ILE 72 5.811 -1.145 1.076 582 HG12 ILE 72 HG12 ILE 72 7.440 -3.617 0.373 583 HG13 ILE 72 HG13 ILE 72 7.692 -2.716 1.868 584 HG21 ILE 72 HG21 ILE 72 4.780 -2.562 -0.595 585 HG22 ILE 72 HG22 ILE 72 6.301 -2.711 -1.474 586 HG23 ILE 72 HG23 ILE 72 5.464 -1.160 -1.420 587 HD11 ILE 72 HD11 ILE 72 5.287 -4.320 1.012 588 HD12 ILE 72 HD12 ILE 72 5.097 -3.017 2.185 589 HD13 ILE 72 HD13 ILE 72 6.164 -4.372 2.539 590 H ARG 73 H ARG 73 7.148 1.202 1.595 591 HA ARG 73 HA ARG 73 9.688 1.345 2.856 592 HB2 ARG 73 HB2 ARG 73 8.031 3.269 2.610 593 HB3 ARG 73 HB3 ARG 73 7.174 2.568 3.984 594 HG2 ARG 73 HG2 ARG 73 8.655 4.107 5.010 595 HG3 ARG 73 HG3 ARG 73 9.501 2.570 5.175 596 HD2 ARG 73 HD2 ARG 73 11.201 3.899 4.345 597 HD3 ARG 73 HD3 ARG 73 10.562 3.251 2.848 598 HE ARG 73 HE ARG 73 9.105 5.555 3.271 599 HH11 ARG 73 HH11 ARG 73 12.533 4.830 3.000 600 HH12 ARG 73 HH12 ARG 73 12.929 6.378 2.330 601 HH21 ARG 73 HH21 ARG 73 9.663 7.550 2.389 602 HH22 ARG 73 HH22 ARG 73 11.309 7.906 1.986 603 H THR 74 H THR 74 10.480 0.544 4.666 604 HA THR 74 HA THR 74 8.714 -0.857 6.554 605 HB THR 74 HB THR 74 10.261 -2.735 6.742 606 HG1 THR 74 HG1 THR 74 12.213 -2.155 6.228 607 HG21 THR 74 HG21 THR 74 9.808 -3.838 4.678 608 HG22 THR 74 HG22 THR 74 9.717 -2.312 3.798 609 HG23 THR 74 HG23 THR 74 8.457 -2.740 4.956 610 H ASP 75 H ASP 75 10.338 -1.598 8.489 611 HA ASP 75 HA ASP 75 11.030 0.711 9.903 612 HB2 ASP 75 HB2 ASP 75 12.345 -2.000 10.193 613 HB3 ASP 75 HB3 ASP 75 12.221 -0.728 11.406 614 H LYS 76 H LYS 76 12.987 -1.411 7.869 615 HA LYS 76 HA LYS 76 15.453 0.044 8.377 616 HB2 LYS 76 HB2 LYS 76 14.879 -2.305 6.550 617 HB3 LYS 76 HB3 LYS 76 16.479 -1.698 6.969 618 HG2 LYS 76 HG2 LYS 76 16.139 -2.247 9.314 619 HG3 LYS 76 HG3 LYS 76 14.462 -2.691 9.006 620 HD2 LYS 76 HD2 LYS 76 15.338 -4.468 7.417 621 HD3 LYS 76 HD3 LYS 76 16.952 -4.116 8.039 622 HE2 LYS 76 HE2 LYS 76 16.079 -5.971 9.326 623 HE3 LYS 76 HE3 LYS 76 16.048 -4.546 10.366 624 HZ1 LYS 76 HZ1 LYS 76 13.933 -5.134 10.682 625 HZ2 LYS 76 HZ2 LYS 76 13.872 -6.091 9.284 626 HZ3 LYS 76 HZ3 LYS 76 13.642 -4.416 9.175 627 H GLY 77 H GLY 77 12.894 0.264 6.091 628 HA2 GLY 77 HA2 GLY 77 13.101 2.375 4.694 629 HA3 GLY 77 HA3 GLY 77 14.615 1.675 4.131 630 H TRP 78 H TRP 78 13.454 2.014 2.011 631 HA TRP 78 HA TRP 78 11.204 0.503 1.225 632 HB2 TRP 78 HB2 TRP 78 13.548 1.471 -0.441 633 HB3 TRP 78 HB3 TRP 78 12.033 0.859 -1.096 634 HD1 TRP 78 HD1 TRP 78 13.652 3.972 -0.016 635 HE1 TRP 78 HE1 TRP 78 11.929 5.880 0.180 636 HE3 TRP 78 HE3 TRP 78 9.327 1.276 -0.230 637 HZ2 TRP 78 HZ2 TRP 78 9.094 6.216 0.247 638 HZ3 TRP 78 HZ3 TRP 78 7.127 2.414 -0.092 639 HH2 TRP 78 HH2 TRP 78 7.008 4.880 0.146 640 H ILE 79 H ILE 79 10.949 -1.618 0.877 641 HA ILE 79 HA ILE 79 13.239 -3.292 0.109 642 HB ILE 79 HB ILE 79 11.431 -3.978 2.459 643 HG12 ILE 79 HG12 ILE 79 14.438 -3.470 2.419 644 HG13 ILE 79 HG13 ILE 79 13.258 -2.233 2.854 645 HG21 ILE 79 HG21 ILE 79 12.940 -5.967 2.691 646 HG22 ILE 79 HG22 ILE 79 13.746 -5.508 1.191 647 HG23 ILE 79 HG23 ILE 79 12.050 -5.989 1.168 648 HD11 ILE 79 HD11 ILE 79 13.956 -4.762 4.336 649 HD12 ILE 79 HD12 ILE 79 12.384 -3.997 4.573 650 HD13 ILE 79 HD13 ILE 79 13.859 -3.109 4.938 651 H LYS 80 H LYS 80 12.775 -5.108 -1.083 652 HA LYS 80 HA LYS 80 10.519 -5.116 -2.755 653 HB2 LYS 80 HB2 LYS 80 12.705 -6.191 -3.280 654 HB3 LYS 80 HB3 LYS 80 12.345 -7.443 -2.094 655 HG2 LYS 80 HG2 LYS 80 10.342 -8.091 -3.371 656 HG3 LYS 80 HG3 LYS 80 10.674 -6.824 -4.552 657 HD2 LYS 80 HD2 LYS 80 12.837 -7.891 -5.087 658 HD3 LYS 80 HD3 LYS 80 12.498 -9.164 -3.914 659 HE2 LYS 80 HE2 LYS 80 10.490 -9.815 -5.191 660 HE3 LYS 80 HE3 LYS 80 10.820 -8.541 -6.364 661 HZ1 LYS 80 HZ1 LYS 80 13.058 -9.647 -6.651 662 HZ2 LYS 80 HZ2 LYS 80 11.715 -10.482 -7.276 663 HZ3 LYS 80 HZ3 LYS 80 12.415 -10.969 -5.807 664 H ALA 81 H ALA 81 8.548 -6.010 -2.657 665 HA ALA 81 HA ALA 81 7.338 -6.683 -0.222 666 HB1 ALA 81 HB1 ALA 81 5.571 -7.737 -1.887 667 HB2 ALA 81 HB2 ALA 81 6.557 -6.906 -3.091 668 HB3 ALA 81 HB3 ALA 81 5.806 -5.991 -1.786 669 H ALA 82 H ALA 82 8.654 -8.752 -2.762 670 HA ALA 82 HA ALA 82 7.785 -11.246 -1.805 671 HB1 ALA 82 HB1 ALA 82 8.797 -10.837 -4.052 672 HB2 ALA 82 HB2 ALA 82 9.504 -12.209 -3.201 673 HB3 ALA 82 HB3 ALA 82 10.370 -10.674 -3.269 674 H ASN 83 H ASN 83 10.586 -9.255 -1.001 675 HA ASN 83 HA ASN 83 11.913 -11.186 0.631 676 HB2 ASN 83 HB2 ASN 83 12.968 -9.188 -0.515 677 HB3 ASN 83 HB3 ASN 83 12.265 -8.191 0.763 678 HD21 ASN 83 HD21 ASN 83 14.218 -7.658 1.879 679 HD22 ASN 83 HD22 ASN 83 15.206 -8.821 2.621 680 H ILE 84 H ILE 84 9.460 -8.732 1.251 681 HA ILE 84 HA ILE 84 9.726 -8.352 3.992 682 HB ILE 84 HB ILE 84 7.095 -8.553 2.493 683 HG12 ILE 84 HG12 ILE 84 8.610 -6.959 1.378 684 HG13 ILE 84 HG13 ILE 84 7.302 -6.090 2.157 685 HG21 ILE 84 HG21 ILE 84 7.770 -7.030 5.031 686 HG22 ILE 84 HG22 ILE 84 6.852 -8.534 4.961 687 HG23 ILE 84 HG23 ILE 84 6.200 -7.069 4.227 688 HD11 ILE 84 HD11 ILE 84 10.207 -6.280 3.004 689 HD12 ILE 84 HD12 ILE 84 8.955 -5.795 4.148 690 HD13 ILE 84 HD13 ILE 84 9.247 -4.830 2.702 691 H THR 85 H THR 85 9.189 -9.395 5.805 692 HA THR 85 HA THR 85 7.817 -12.002 5.633 693 HB THR 85 HB THR 85 9.406 -12.885 7.349 694 HG1 THR 85 HG1 THR 85 11.011 -10.644 6.815 695 HG21 THR 85 HG21 THR 85 10.917 -11.822 4.954 696 HG22 THR 85 HG22 THR 85 9.786 -13.173 4.859 697 HG23 THR 85 HG23 THR 85 11.234 -13.305 5.857 698 HA PRO 86 HA PRO 86 5.138 -10.636 8.926 699 HB2 PRO 86 HB2 PRO 86 5.605 -12.532 10.956 700 HB3 PRO 86 HB3 PRO 86 4.407 -12.657 9.655 701 HG2 PRO 86 HG2 PRO 86 7.145 -13.814 9.811 702 HG3 PRO 86 HG3 PRO 86 5.655 -14.516 9.149 703 HD2 PRO 86 HD2 PRO 86 7.493 -13.591 7.482 704 HD3 PRO 86 HD3 PRO 86 5.773 -13.248 7.173 705 H LYS 87 H LYS 87 8.460 -11.375 9.744 706 HA LYS 87 HA LYS 87 8.673 -10.120 12.266 707 HB2 LYS 87 HB2 LYS 87 10.420 -11.617 11.319 708 HB3 LYS 87 HB3 LYS 87 10.761 -10.412 10.080 709 HG2 LYS 87 HG2 LYS 87 11.297 -8.777 11.953 710 HG3 LYS 87 HG3 LYS 87 11.199 -10.144 13.065 711 HD2 LYS 87 HD2 LYS 87 13.010 -11.267 11.990 712 HD3 LYS 87 HD3 LYS 87 12.988 -10.143 10.627 713 HE2 LYS 87 HE2 LYS 87 13.618 -9.379 13.487 714 HE3 LYS 87 HE3 LYS 87 14.822 -9.638 12.220 715 HZ1 LYS 87 HZ1 LYS 87 14.445 -7.341 12.243 716 HZ2 LYS 87 HZ2 LYS 87 12.762 -7.523 12.390 717 HZ3 LYS 87 HZ3 LYS 87 13.534 -7.899 10.926 718 H MET 88 H MET 88 9.079 -8.897 8.986 719 HA MET 88 HA MET 88 10.087 -6.373 9.546 720 HB2 MET 88 HB2 MET 88 8.767 -7.656 7.227 721 HB3 MET 88 HB3 MET 88 8.569 -5.910 7.270 722 HG2 MET 88 HG2 MET 88 10.572 -6.075 6.104 723 HG3 MET 88 HG3 MET 88 11.187 -5.947 7.747 724 HE1 MET 88 HE1 MET 88 13.320 -6.751 6.940 725 HE2 MET 88 HE2 MET 88 13.780 -8.449 7.062 726 HE3 MET 88 HE3 MET 88 13.110 -7.628 8.465 727 H LYS 89 H LYS 89 9.262 -4.385 9.985 728 HA LYS 89 HA LYS 89 6.347 -4.203 10.420 729 HB2 LYS 89 HB2 LYS 89 8.446 -2.888 12.198 730 HB3 LYS 89 HB3 LYS 89 6.706 -2.736 12.351 731 HG2 LYS 89 HG2 LYS 89 6.470 -5.103 12.823 732 HG3 LYS 89 HG3 LYS 89 8.184 -5.374 12.531 733 HD2 LYS 89 HD2 LYS 89 7.936 -5.260 14.907 734 HD3 LYS 89 HD3 LYS 89 8.633 -3.715 14.424 735 HE2 LYS 89 HE2 LYS 89 6.411 -2.664 14.499 736 HE3 LYS 89 HE3 LYS 89 5.678 -4.213 14.916 737 HZ1 LYS 89 HZ1 LYS 89 5.959 -3.259 16.967 738 HZ2 LYS 89 HZ2 LYS 89 7.408 -2.479 16.540 739 HZ3 LYS 89 HZ3 LYS 89 7.395 -4.152 16.837 740 H ILE 90 H ILE 90 5.344 -2.292 9.815 741 HA ILE 90 HA ILE 90 7.062 -0.392 8.311 742 HB ILE 90 HB ILE 90 4.292 -1.383 7.522 743 HG12 ILE 90 HG12 ILE 90 6.945 -1.839 6.102 744 HG13 ILE 90 HG13 ILE 90 6.270 -3.002 7.238 745 HG21 ILE 90 HG21 ILE 90 4.435 0.828 6.691 746 HG22 ILE 90 HG22 ILE 90 5.000 -0.142 5.332 747 HG23 ILE 90 HG23 ILE 90 6.162 0.693 6.362 748 HD11 ILE 90 HD11 ILE 90 4.791 -1.989 4.790 749 HD12 ILE 90 HD12 ILE 90 4.302 -3.309 5.852 750 HD13 ILE 90 HD13 ILE 90 5.722 -3.485 4.821 751 H LEU 91 H LEU 91 6.959 1.626 8.983 752 HA LEU 91 HA LEU 91 5.188 2.534 10.994 753 HB2 LEU 91 HB2 LEU 91 6.158 4.716 10.727 754 HB3 LEU 91 HB3 LEU 91 7.454 3.554 10.501 755 HG LEU 91 HG LEU 91 5.936 4.734 8.144 756 HD11 LEU 91 HD11 LEU 91 7.604 6.435 7.933 757 HD12 LEU 91 HD12 LEU 91 8.559 5.750 9.248 758 HD13 LEU 91 HD13 LEU 91 7.006 6.510 9.590 759 HD21 LEU 91 HD21 LEU 91 8.533 3.219 8.532 760 HD22 LEU 91 HD22 LEU 91 8.243 4.167 7.074 761 HD23 LEU 91 HD23 LEU 91 7.185 2.817 7.472 762 H SER 92 H SER 92 3.238 3.484 10.965 763 HA SER 92 HA SER 92 2.038 4.134 8.346 764 HB2 SER 92 HB2 SER 92 0.750 2.605 10.627 765 HB3 SER 92 HB3 SER 92 -0.123 3.229 9.231 766 HG SER 92 HG SER 92 1.328 1.974 7.933 767 HA PRO 93 HA PRO 93 0.901 7.983 10.383 768 HB2 PRO 93 HB2 PRO 93 -1.109 8.866 8.818 769 HB3 PRO 93 HB3 PRO 93 0.575 8.821 8.249 770 HG2 PRO 93 HG2 PRO 93 -1.639 6.886 7.731 771 HG3 PRO 93 HG3 PRO 93 -0.465 7.577 6.595 772 HD2 PRO 93 HD2 PRO 93 -0.158 5.091 7.642 773 HD3 PRO 93 HD3 PRO 93 1.232 6.130 7.241 774 H GLU 94 H GLU 94 -0.639 8.810 11.845 775 HA GLU 94 HA GLU 94 -3.077 7.195 12.286 776 HB2 GLU 94 HB2 GLU 94 -1.259 8.339 14.420 777 HB3 GLU 94 HB3 GLU 94 -2.793 7.525 14.717 778 HG2 GLU 94 HG2 GLU 94 -0.381 6.269 13.356 779 HG3 GLU 94 HG3 GLU 94 -0.859 5.987 15.027 780 H ILE 95 H ILE 95 -4.905 8.311 12.454 781 HA ILE 95 HA ILE 95 -4.785 11.220 12.233 782 HB ILE 95 HB ILE 95 -7.151 9.323 11.952 783 HG12 ILE 95 HG12 ILE 95 -5.642 10.830 9.779 784 HG13 ILE 95 HG13 ILE 95 -5.259 9.168 10.221 785 HG21 ILE 95 HG21 ILE 95 -6.854 12.303 11.405 786 HG22 ILE 95 HG22 ILE 95 -7.936 11.547 12.573 787 HG23 ILE 95 HG23 ILE 95 -8.219 11.334 10.847 788 HD11 ILE 95 HD11 ILE 95 -6.755 8.878 8.432 789 HD12 ILE 95 HD12 ILE 95 -7.754 10.245 8.917 790 HD13 ILE 95 HD13 ILE 95 -7.822 8.737 9.829 791 H ASP 96 H ASP 96 -4.863 12.400 13.975 792 HA ASP 96 HA ASP 96 -6.818 11.990 16.066 793 HB2 ASP 96 HB2 ASP 96 -3.842 11.906 16.722 794 HB3 ASP 96 HB3 ASP 96 -5.152 11.903 17.900 795 H ALA 97 H ALA 97 -5.223 13.833 17.890 796 HA ALA 97 HA ALA 97 -6.072 16.349 16.912 797 HB1 ALA 97 HB1 ALA 97 -4.153 17.073 18.661 798 HB2 ALA 97 HB2 ALA 97 -4.348 15.388 19.145 799 HB3 ALA 97 HB3 ALA 97 -5.731 16.480 19.182 800 H ALA 98 H ALA 98 -3.023 14.589 16.742 801 HA ALA 98 HA ALA 98 -2.166 16.259 14.504 802 HB1 ALA 98 HB1 ALA 98 -0.059 16.767 15.367 803 HB2 ALA 98 HB2 ALA 98 -0.142 15.494 16.586 804 HB3 ALA 98 HB3 ALA 98 -1.090 16.968 16.785 805 H VAL 99 H VAL 99 -0.948 15.101 12.983 806 HA VAL 99 HA VAL 99 -1.405 12.347 12.778 807 HB VAL 99 HB VAL 99 0.275 12.357 10.955 808 HG11 VAL 99 HG11 VAL 99 -0.799 14.230 9.620 809 HG12 VAL 99 HG12 VAL 99 -1.655 14.680 11.095 810 HG13 VAL 99 HG13 VAL 99 -1.924 13.095 10.368 811 HG21 VAL 99 HG21 VAL 99 1.410 14.527 10.410 812 HG22 VAL 99 HG22 VAL 99 1.959 13.849 11.942 813 HG23 VAL 99 HG23 VAL 99 0.815 15.190 11.933 814 H LYS 100 H LYS 100 -0.357 10.548 13.407 815 HA LYS 100 HA LYS 100 2.266 10.827 14.739 816 HB2 LYS 100 HB2 LYS 100 0.394 10.777 16.422 817 HB3 LYS 100 HB3 LYS 100 0.007 9.154 15.860 818 HG2 LYS 100 HG2 LYS 100 2.303 8.410 16.408 819 HG3 LYS 100 HG3 LYS 100 2.684 10.030 16.989 820 HD2 LYS 100 HD2 LYS 100 0.409 8.381 18.127 821 HD3 LYS 100 HD3 LYS 100 2.040 8.336 18.794 822 HE2 LYS 100 HE2 LYS 100 0.355 10.851 18.510 823 HE3 LYS 100 HE3 LYS 100 0.580 9.950 20.006 824 HZ1 LYS 100 HZ1 LYS 100 2.206 11.946 18.992 825 HZ2 LYS 100 HZ2 LYS 100 3.100 10.512 18.822 826 HZ3 LYS 100 HZ3 LYS 100 2.502 10.971 20.343 827 H THR 101 H THR 101 3.710 9.300 14.242 828 HA THR 101 HA THR 101 2.877 7.179 12.397 829 HB THR 101 HB THR 101 4.721 8.608 11.647 830 HG1 THR 101 HG1 THR 101 4.730 6.382 11.102 831 HG21 THR 101 HG21 THR 101 6.192 7.589 14.098 832 HG22 THR 101 HG22 THR 101 5.620 9.240 13.862 833 HG23 THR 101 HG23 THR 101 6.888 8.589 12.824 834 H ALA 102 H ALA 102 2.947 5.073 12.849 835 HA ALA 102 HA ALA 102 4.412 4.090 15.188 836 HB1 ALA 102 HB1 ALA 102 1.518 3.333 14.808 837 HB2 ALA 102 HB2 ALA 102 2.004 4.680 15.836 838 HB3 ALA 102 HB3 ALA 102 2.552 3.046 16.208 839 H LEU 103 H LEU 103 5.139 2.013 14.959 840 HA LEU 103 HA LEU 103 5.167 0.915 12.315 841 HB2 LEU 103 HB2 LEU 103 6.213 -0.184 14.933 842 HB3 LEU 103 HB3 LEU 103 6.507 -0.904 13.353 843 HG LEU 103 HG LEU 103 7.265 1.949 14.065 844 HD11 LEU 103 HD11 LEU 103 8.932 -0.586 14.050 845 HD12 LEU 103 HD12 LEU 103 8.563 0.422 15.450 846 HD13 LEU 103 HD13 LEU 103 9.600 1.042 14.165 847 HD21 LEU 103 HD21 LEU 103 8.857 1.404 11.996 848 HD22 LEU 103 HD22 LEU 103 7.187 1.868 11.723 849 HD23 LEU 103 HD23 LEU 103 7.642 0.173 11.643 850 H GLN 104 H GLN 104 4.245 -0.916 11.513 851 HA GLN 104 HA GLN 104 2.154 -2.196 13.169 852 HB2 GLN 104 HB2 GLN 104 0.842 -2.568 11.169 853 HB3 GLN 104 HB3 GLN 104 1.300 -0.870 11.179 854 HG2 GLN 104 HG2 GLN 104 3.370 -1.803 9.739 855 HG3 GLN 104 HG3 GLN 104 2.212 -3.079 9.390 856 HE21 GLN 104 HE21 GLN 104 -0.192 -1.847 9.051 857 HE22 GLN 104 HE22 GLN 104 -0.113 -0.650 7.847 858 H ASP 105 H ASP 105 2.068 -4.431 13.211 859 HA ASP 105 HA ASP 105 4.562 -5.757 12.456 860 HB2 ASP 105 HB2 ASP 105 3.757 -5.922 14.786 861 HB3 ASP 105 HB3 ASP 105 2.309 -6.744 14.210 862 H VAL 106 H VAL 106 4.744 -6.976 10.664 863 HA VAL 106 HA VAL 106 2.392 -7.684 9.161 864 HB VAL 106 HB VAL 106 5.288 -8.569 8.795 865 HG11 VAL 106 HG11 VAL 106 4.651 -9.291 6.585 866 HG12 VAL 106 HG12 VAL 106 3.041 -8.594 6.754 867 HG13 VAL 106 HG13 VAL 106 3.490 -10.013 7.699 868 HG21 VAL 106 HG21 VAL 106 5.450 -6.805 7.147 869 HG22 VAL 106 HG22 VAL 106 4.817 -6.075 8.624 870 HG23 VAL 106 HG23 VAL 106 3.731 -6.446 7.285 871 H GLU 107 H GLU 107 1.165 -9.469 9.387 872 HA GLU 107 HA GLU 107 2.045 -11.562 11.251 873 HB2 GLU 107 HB2 GLU 107 -0.618 -10.812 10.059 874 HB3 GLU 107 HB3 GLU 107 -0.377 -12.395 10.805 875 HG2 GLU 107 HG2 GLU 107 -1.242 -10.921 12.514 876 HG3 GLU 107 HG3 GLU 107 0.465 -11.201 12.866 877 H SER 108 H SER 108 0.987 -11.146 7.907 878 HA SER 108 HA SER 108 2.642 -13.241 6.953 879 HB2 SER 108 HB2 SER 108 0.651 -14.618 6.089 880 HB3 SER 108 HB3 SER 108 1.158 -14.844 7.767 881 HG SER 108 HG SER 108 -0.949 -13.219 6.751 882 H ILE 109 H ILE 109 2.460 -13.582 4.678 883 HA ILE 109 HA ILE 109 1.027 -11.436 3.227 884 HB ILE 109 HB ILE 109 3.670 -12.758 2.476 885 HG12 ILE 109 HG12 ILE 109 3.165 -9.849 3.192 886 HG13 ILE 109 HG13 ILE 109 3.653 -11.031 4.406 887 HG21 ILE 109 HG21 ILE 109 2.329 -12.155 0.492 888 HG22 ILE 109 HG22 ILE 109 3.688 -11.042 0.654 889 HG23 ILE 109 HG23 ILE 109 2.071 -10.533 1.140 890 HD11 ILE 109 HD11 ILE 109 5.726 -11.467 3.241 891 HD12 ILE 109 HD12 ILE 109 5.565 -9.717 3.382 892 HD13 ILE 109 HD13 ILE 109 5.205 -10.514 1.851 893 H GLU 110 H GLU 110 -0.594 -12.261 1.970 894 HA GLU 110 HA GLU 110 -0.400 -15.127 1.181 895 HB2 GLU 110 HB2 GLU 110 -2.886 -13.472 1.693 896 HB3 GLU 110 HB3 GLU 110 -2.865 -15.160 1.186 897 HG2 GLU 110 HG2 GLU 110 -1.646 -14.099 3.762 898 HG3 GLU 110 HG3 GLU 110 -3.187 -14.940 3.645 899 H LYS 111 H LYS 111 0.150 -15.337 -0.877 900 HA LYS 111 HA LYS 111 -0.364 -13.286 -2.793 901 HB2 LYS 111 HB2 LYS 111 0.724 -14.742 -4.416 902 HB3 LYS 111 HB3 LYS 111 1.658 -14.682 -2.925 903 HG2 LYS 111 HG2 LYS 111 0.476 -16.813 -2.225 904 HG3 LYS 111 HG3 LYS 111 -0.174 -16.904 -3.858 905 HD2 LYS 111 HD2 LYS 111 1.787 -18.226 -3.977 906 HD3 LYS 111 HD3 LYS 111 2.281 -16.675 -4.663 907 HE2 LYS 111 HE2 LYS 111 3.228 -16.005 -2.493 908 HE3 LYS 111 HE3 LYS 111 2.713 -17.534 -1.784 909 HZ1 LYS 111 HZ1 LYS 111 4.858 -18.015 -2.361 910 HZ2 LYS 111 HZ2 LYS 111 4.844 -17.012 -3.733 911 HZ3 LYS 111 HZ3 LYS 111 4.055 -18.517 -3.767 912 H LEU 112 H LEU 112 -2.110 -12.915 -3.859 913 HA LEU 112 HA LEU 112 -4.243 -14.926 -4.029 914 HB2 LEU 112 HB2 LEU 112 -4.103 -11.943 -4.371 915 HB3 LEU 112 HB3 LEU 112 -5.399 -12.831 -5.166 916 HG LEU 112 HG LEU 112 -5.896 -13.894 -2.896 917 HD11 LEU 112 HD11 LEU 112 -5.099 -12.622 -0.923 918 HD12 LEU 112 HD12 LEU 112 -4.093 -11.629 -1.981 919 HD13 LEU 112 HD13 LEU 112 -3.765 -13.354 -1.811 920 HD21 LEU 112 HD21 LEU 112 -6.195 -10.897 -3.273 921 HD22 LEU 112 HD22 LEU 112 -7.087 -11.838 -2.077 922 HD23 LEU 112 HD23 LEU 112 -7.329 -12.141 -3.797 923 H GLY 113 H GLY 113 -1.926 -13.236 -6.031 924 HA2 GLY 113 HA2 GLY 113 -1.127 -14.127 -8.074 925 HA3 GLY 113 HA3 GLY 113 -2.654 -14.949 -8.284 926 H VAL 114 H VAL 114 -2.917 -14.173 -10.373 927 HA VAL 114 HA VAL 114 -2.819 -11.408 -11.045 928 HB VAL 114 HB VAL 114 -4.109 -13.743 -12.507 929 HG11 VAL 114 HG11 VAL 114 -5.028 -11.672 -13.368 930 HG12 VAL 114 HG12 VAL 114 -3.831 -12.257 -14.524 931 HG13 VAL 114 HG13 VAL 114 -3.427 -10.934 -13.428 932 HG21 VAL 114 HG21 VAL 114 -1.432 -12.398 -12.991 933 HG22 VAL 114 HG22 VAL 114 -2.046 -13.856 -13.771 934 HG23 VAL 114 HG23 VAL 114 -1.621 -13.883 -12.060 935 H ASN 115 H ASN 115 -4.242 -9.887 -10.666 936 HA ASN 115 HA ASN 115 -7.118 -10.468 -10.496 937 HB2 ASN 115 HB2 ASN 115 -5.479 -9.092 -8.367 938 HB3 ASN 115 HB3 ASN 115 -7.214 -8.868 -8.519 939 HD21 ASN 115 HD21 ASN 115 -6.102 -10.010 -6.186 940 HD22 ASN 115 HD22 ASN 115 -6.563 -11.645 -6.101 941 H HIS 116 H HIS 116 -8.374 -8.363 -10.386 942 HA HIS 116 HA HIS 116 -7.539 -6.580 -12.449 943 HB2 HIS 116 HB2 HIS 116 -9.732 -6.452 -10.368 944 HB3 HIS 116 HB3 HIS 116 -9.466 -5.160 -11.540 945 HD2 HIS 116 HD2 HIS 116 -10.380 -9.035 -11.649 946 HE1 HIS 116 HE1 HIS 116 -11.614 -7.216 -15.258 947 HE2 HIS 116 HE2 HIS 116 -11.617 -9.382 -13.922 948 H VAL 117 H VAL 117 -6.344 -4.721 -12.271 949 HA VAL 117 HA VAL 117 -5.743 -3.721 -9.558 950 HB VAL 117 HB VAL 117 -3.293 -3.340 -10.520 951 HG11 VAL 117 HG11 VAL 117 -2.712 -5.693 -9.586 952 HG12 VAL 117 HG12 VAL 117 -4.443 -5.810 -9.254 953 HG13 VAL 117 HG13 VAL 117 -3.488 -4.512 -8.531 954 HG21 VAL 117 HG21 VAL 117 -2.532 -4.820 -12.164 955 HG22 VAL 117 HG22 VAL 117 -4.173 -4.563 -12.739 956 HG23 VAL 117 HG23 VAL 117 -3.783 -6.021 -11.834 957 H TYR 118 H TYR 118 -5.025 -1.676 -9.320 958 HA TYR 118 HA TYR 118 -4.911 0.161 -11.541 959 HB2 TYR 118 HB2 TYR 118 -6.992 0.791 -9.422 960 HB3 TYR 118 HB3 TYR 118 -6.718 1.554 -10.981 961 HD1 TYR 118 HD1 TYR 118 -8.049 -1.503 -9.340 962 HD2 TYR 118 HD2 TYR 118 -7.738 0.702 -12.984 963 HE1 TYR 118 HE1 TYR 118 -9.736 -2.992 -10.372 964 HE2 TYR 118 HE2 TYR 118 -9.427 -0.785 -14.037 965 HH TYR 118 HH TYR 118 -11.500 -2.484 -12.622 966 H ASP 119 H ASP 119 -4.075 2.245 -10.812 967 HA ASP 119 HA ASP 119 -3.522 2.714 -8.047 968 HB2 ASP 119 HB2 ASP 119 -1.808 0.954 -8.712 969 HB3 ASP 119 HB3 ASP 119 -1.064 2.211 -9.719 970 H ILE 120 H ILE 120 -2.177 4.728 -7.732 971 HA ILE 120 HA ILE 120 -2.243 6.476 -10.088 972 HB ILE 120 HB ILE 120 -4.391 6.726 -8.967 973 HG12 ILE 120 HG12 ILE 120 -2.990 9.314 -8.291 974 HG13 ILE 120 HG13 ILE 120 -2.877 8.757 -9.949 975 HG21 ILE 120 HG21 ILE 120 -3.852 6.165 -6.692 976 HG22 ILE 120 HG22 ILE 120 -4.418 7.835 -6.689 977 HG23 ILE 120 HG23 ILE 120 -2.692 7.489 -6.579 978 HD11 ILE 120 HD11 ILE 120 -4.808 10.218 -9.704 979 HD12 ILE 120 HD12 ILE 120 -5.431 9.215 -8.394 980 HD13 ILE 120 HD13 ILE 120 -5.353 8.574 -10.033 981 H GLU 121 H GLU 121 -0.996 8.296 -10.049 982 HA GLU 121 HA GLU 121 1.355 8.145 -8.300 983 HB2 GLU 121 HB2 GLU 121 0.930 9.525 -10.950 984 HB3 GLU 121 HB3 GLU 121 2.446 9.508 -10.059 985 HG2 GLU 121 HG2 GLU 121 2.435 7.003 -10.198 986 HG3 GLU 121 HG3 GLU 121 0.970 7.099 -11.181 987 H VAL 122 H VAL 122 2.391 10.034 -7.476 988 HA VAL 122 HA VAL 122 0.454 12.201 -6.889 989 HB VAL 122 HB VAL 122 1.697 12.583 -4.786 990 HG11 VAL 122 HG11 VAL 122 -0.297 11.022 -4.965 991 HG12 VAL 122 HG12 VAL 122 0.762 10.732 -3.586 992 HG13 VAL 122 HG13 VAL 122 0.852 9.683 -5.002 993 HG21 VAL 122 HG21 VAL 122 3.467 11.180 -4.062 994 HG22 VAL 122 HG22 VAL 122 3.829 11.479 -5.759 995 HG23 VAL 122 HG23 VAL 122 3.110 9.947 -5.274 996 H GLU 123 H GLU 123 1.284 14.343 -6.648 997 HA GLU 123 HA GLU 123 2.916 15.088 -8.816 998 HB2 GLU 123 HB2 GLU 123 1.804 16.696 -6.535 999 HB3 GLU 123 HB3 GLU 123 2.689 17.406 -7.884 1000 HG2 GLU 123 HG2 GLU 123 1.068 16.433 -9.472 1001 HG3 GLU 123 HG3 GLU 123 0.183 15.711 -8.135 1002 H HIS 124 H HIS 124 3.800 15.105 -5.312 1003 HA HIS 124 HA HIS 124 6.415 16.226 -6.134 1004 HB2 HIS 124 HB2 HIS 124 4.980 17.434 -4.455 1005 HB3 HIS 124 HB3 HIS 124 5.321 16.120 -3.332 1006 HD2 HIS 124 HD2 HIS 124 8.369 17.212 -5.541 1007 HE1 HIS 124 HE1 HIS 124 8.944 18.896 -1.714 1008 HE2 HIS 124 HE2 HIS 124 10.028 18.466 -3.968 1009 H ASN 125 H ASN 125 5.414 13.982 -3.503 1010 HA ASN 125 HA ASN 125 8.114 13.018 -3.298 1011 HB2 ASN 125 HB2 ASN 125 6.669 13.321 -1.329 1012 HB3 ASN 125 HB3 ASN 125 5.652 11.982 -1.883 1013 HD21 ASN 125 HD21 ASN 125 9.073 12.731 -1.041 1014 HD22 ASN 125 HD22 ASN 125 9.419 11.173 -0.464 1015 H HIS 126 H HIS 126 5.580 12.073 -5.296 1016 HA HIS 126 HA HIS 126 5.253 10.294 -6.717 1017 HB2 HIS 126 HB2 HIS 126 8.210 9.911 -6.202 1018 HB3 HIS 126 HB3 HIS 126 7.299 9.093 -7.471 1019 HD2 HIS 126 HD2 HIS 126 6.622 10.720 -9.688 1020 HE1 HIS 126 HE1 HIS 126 8.601 14.197 -8.343 1021 HE2 HIS 126 HE2 HIS 126 7.412 13.126 -10.315 1022 H ASN 127 H ASN 127 4.898 9.874 -3.783 1023 HA ASN 127 HA ASN 127 4.853 6.934 -3.858 1024 HB2 ASN 127 HB2 ASN 127 5.779 8.558 -1.479 1025 HB3 ASN 127 HB3 ASN 127 5.522 6.817 -1.492 1026 HD21 ASN 127 HD21 ASN 127 8.083 8.499 -1.179 1027 HD22 ASN 127 HD22 ASN 127 9.143 7.844 -2.333 1028 H PHE 128 H PHE 128 3.278 5.995 -2.373 1029 HA PHE 128 HA PHE 128 1.315 7.809 -1.225 1030 HB2 PHE 128 HB2 PHE 128 -0.595 6.881 -2.453 1031 HB3 PHE 128 HB3 PHE 128 0.556 7.626 -3.560 1032 HD1 PHE 128 HD1 PHE 128 -0.946 4.487 -2.420 1033 HD2 PHE 128 HD2 PHE 128 2.010 6.236 -4.995 1034 HE1 PHE 128 HE1 PHE 128 -0.739 2.345 -3.637 1035 HE2 PHE 128 HE2 PHE 128 2.217 4.086 -6.216 1036 HZ PHE 128 HZ PHE 128 0.841 2.141 -5.537 1037 H VAL 129 H VAL 129 -0.394 6.653 -0.012 1038 HA VAL 129 HA VAL 129 0.686 4.158 1.165 1039 HB VAL 129 HB VAL 129 -1.043 6.307 2.445 1040 HG11 VAL 129 HG11 VAL 129 0.288 3.912 3.752 1041 HG12 VAL 129 HG12 VAL 129 -1.420 3.975 3.318 1042 HG13 VAL 129 HG13 VAL 129 -0.776 5.089 4.523 1043 HG21 VAL 129 HG21 VAL 129 1.898 5.610 2.704 1044 HG22 VAL 129 HG22 VAL 129 1.046 6.633 3.862 1045 HG23 VAL 129 HG23 VAL 129 1.199 7.145 2.182 1046 H ALA 130 H ALA 130 -0.484 2.358 0.886 1047 HA ALA 130 HA ALA 130 -3.303 2.594 0.065 1048 HB1 ALA 130 HB1 ALA 130 -1.744 0.041 -0.119 1049 HB2 ALA 130 HB2 ALA 130 -1.464 1.308 -1.312 1050 HB3 ALA 130 HB3 ALA 130 -3.074 0.616 -1.126 1051 H ASN 131 H ASN 131 -4.691 2.334 1.656 1052 HA ASN 131 HA ASN 131 -5.649 1.698 3.631 1053 HB2 ASN 131 HB2 ASN 131 -5.609 -0.430 2.203 1054 HB3 ASN 131 HB3 ASN 131 -4.282 -0.952 3.243 1055 HD21 ASN 131 HD21 ASN 131 -5.273 -2.493 4.592 1056 HD22 ASN 131 HD22 ASN 131 -6.652 -2.193 5.531 1057 H GLY 132 H GLY 132 -3.253 3.097 3.994 1058 HA2 GLY 132 HA2 GLY 132 -2.063 3.751 5.875 1059 HA3 GLY 132 HA3 GLY 132 -2.554 2.273 6.682 1060 H LEU 133 H LEU 133 -1.287 1.421 3.676 1061 HA LEU 133 HA LEU 133 1.372 0.874 4.856 1062 HB2 LEU 133 HB2 LEU 133 0.005 -1.102 4.194 1063 HB3 LEU 133 HB3 LEU 133 0.049 -0.563 2.523 1064 HG LEU 133 HG LEU 133 2.682 -0.803 3.982 1065 HD11 LEU 133 HD11 LEU 133 1.572 -2.909 4.561 1066 HD12 LEU 133 HD12 LEU 133 2.844 -3.202 3.375 1067 HD13 LEU 133 HD13 LEU 133 1.155 -3.176 2.867 1068 HD21 LEU 133 HD21 LEU 133 2.865 0.012 1.751 1069 HD22 LEU 133 HD22 LEU 133 1.686 -1.146 1.142 1070 HD23 LEU 133 HD23 LEU 133 3.293 -1.692 1.620 1071 H LEU 134 H LEU 134 2.953 2.145 4.193 1072 HA LEU 134 HA LEU 134 2.703 3.829 1.882 1073 HB2 LEU 134 HB2 LEU 134 3.810 4.727 3.828 1074 HB3 LEU 134 HB3 LEU 134 4.974 3.413 3.848 1075 HG LEU 134 HG LEU 134 5.895 4.211 1.671 1076 HD11 LEU 134 HD11 LEU 134 4.116 5.293 0.565 1077 HD12 LEU 134 HD12 LEU 134 5.183 6.622 1.011 1078 HD13 LEU 134 HD13 LEU 134 3.732 6.301 1.964 1079 HD21 LEU 134 HD21 LEU 134 5.768 6.107 4.022 1080 HD22 LEU 134 HD22 LEU 134 6.746 6.496 2.607 1081 HD23 LEU 134 HD23 LEU 134 7.085 5.045 3.541 1082 H VAL 135 H VAL 135 3.340 3.527 -0.114 1083 HA VAL 135 HA VAL 135 5.345 1.447 -0.707 1084 HB VAL 135 HB VAL 135 4.077 0.831 -2.742 1085 HG11 VAL 135 HG11 VAL 135 3.776 -0.307 -0.475 1086 HG12 VAL 135 HG12 VAL 135 2.484 -0.552 -1.648 1087 HG13 VAL 135 HG13 VAL 135 2.271 0.600 -0.330 1088 HG21 VAL 135 HG21 VAL 135 1.928 2.643 -1.571 1089 HG22 VAL 135 HG22 VAL 135 1.718 1.586 -2.968 1090 HG23 VAL 135 HG23 VAL 135 2.834 2.950 -3.054 1091 H HIS 136 H HIS 136 6.580 1.775 -2.561 1092 HA HIS 136 HA HIS 136 6.890 4.587 -3.339 1093 HB2 HIS 136 HB2 HIS 136 8.893 3.468 -2.460 1094 HB3 HIS 136 HB3 HIS 136 8.757 2.209 -3.679 1095 HD2 HIS 136 HD2 HIS 136 10.066 2.853 -6.063 1096 HE1 HIS 136 HE1 HIS 136 10.706 6.951 -5.281 1097 HE2 HIS 136 HE2 HIS 136 11.183 5.056 -6.903 1098 H ASN 137 H ASN 137 6.061 5.247 -5.211 1099 HA ASN 137 HA ASN 137 5.163 3.337 -7.211 1100 HB2 ASN 137 HB2 ASN 137 3.719 5.233 -6.638 1101 HB3 ASN 137 HB3 ASN 137 4.982 6.356 -7.112 1102 HD21 ASN 137 HD21 ASN 137 2.801 3.836 -8.420 1103 HD22 ASN 137 HD22 ASN 137 2.835 4.413 -10.015 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 3.561 -1.302 -6.108 2 H2 GLU 1 HT2 GLU 1 2.304 -0.300 -5.559 3 H3 GLU 1 HT3 GLU 1 3.920 0.214 -5.442 4 HA GLU 1 HA GLU 1 3.319 1.363 -7.295 5 HB2 GLU 1 HB2 GLU 1 5.093 -0.500 -7.739 6 HB3 GLU 1 HB3 GLU 1 3.795 -1.279 -8.645 7 HG2 GLU 1 HG2 GLU 1 4.509 1.607 -9.178 8 HG3 GLU 1 HG3 GLU 1 5.407 0.295 -9.933 9 H ALA 2 H ALA 2 1.712 -1.809 -7.201 10 HA ALA 2 HA ALA 2 -0.647 -0.603 -8.494 11 HB1 ALA 2 HB1 ALA 2 -0.870 -2.255 -10.078 12 HB2 ALA 2 HB2 ALA 2 0.011 -3.446 -9.120 13 HB3 ALA 2 HB3 ALA 2 0.888 -2.176 -9.975 14 H LEU 3 H LEU 3 -2.555 -1.094 -7.568 15 HA LEU 3 HA LEU 3 -2.577 -3.124 -5.412 16 HB2 LEU 3 HB2 LEU 3 -4.102 -0.504 -5.612 17 HB3 LEU 3 HB3 LEU 3 -4.370 -1.713 -4.361 18 HG LEU 3 HG LEU 3 -2.967 0.015 -3.422 19 HD11 LEU 3 HD11 LEU 3 -1.148 -1.212 -2.575 20 HD12 LEU 3 HD12 LEU 3 -0.970 -2.133 -4.069 21 HD13 LEU 3 HD13 LEU 3 -2.341 -2.443 -3.005 22 HD21 LEU 3 HD21 LEU 3 -0.755 -0.369 -5.429 23 HD22 LEU 3 HD22 LEU 3 -1.141 1.023 -4.436 24 HD23 LEU 3 HD23 LEU 3 -2.118 0.666 -5.853 25 H THR 4 H THR 4 -4.448 -4.466 -5.258 26 HA THR 4 HA THR 4 -5.727 -5.053 -7.732 27 HB THR 4 HB THR 4 -7.184 -6.558 -6.450 28 HG1 THR 4 HG1 THR 4 -7.649 -5.977 -4.502 29 HG21 THR 4 HG21 THR 4 -4.414 -6.671 -5.247 30 HG22 THR 4 HG22 THR 4 -4.740 -7.108 -6.924 31 HG23 THR 4 HG23 THR 4 -5.495 -8.016 -5.613 32 H GLY 5 H GLY 5 -8.049 -4.908 -8.205 33 HA2 GLY 5 HA2 GLY 5 -8.986 -2.283 -8.111 34 HA3 GLY 5 HA3 GLY 5 -9.962 -3.677 -8.561 35 H ASP 6 H ASP 6 -9.825 -5.074 -6.137 36 HA ASP 6 HA ASP 6 -11.876 -3.768 -4.641 37 HB2 ASP 6 HB2 ASP 6 -10.285 -6.286 -4.130 38 HB3 ASP 6 HB3 ASP 6 -11.552 -5.713 -3.045 39 H ALA 7 H ALA 7 -8.441 -3.689 -4.480 40 HA ALA 7 HA ALA 7 -7.982 -3.207 -1.748 41 HB1 ALA 7 HB1 ALA 7 -6.411 -2.027 -4.033 42 HB2 ALA 7 HB2 ALA 7 -6.252 -3.705 -3.517 43 HB3 ALA 7 HB3 ALA 7 -5.840 -2.397 -2.410 44 H LEU 8 H LEU 8 -7.365 -1.179 -0.721 45 HA LEU 8 HA LEU 8 -8.717 1.194 -1.836 46 HB2 LEU 8 HB2 LEU 8 -9.564 1.755 0.435 47 HB3 LEU 8 HB3 LEU 8 -10.246 0.273 -0.226 48 HG LEU 8 HG LEU 8 -8.146 -0.840 1.097 49 HD11 LEU 8 HD11 LEU 8 -7.191 1.193 1.966 50 HD12 LEU 8 HD12 LEU 8 -7.941 0.343 3.313 51 HD13 LEU 8 HD13 LEU 8 -8.755 1.724 2.581 52 HD21 LEU 8 HD21 LEU 8 -10.771 0.030 2.363 53 HD22 LEU 8 HD22 LEU 8 -9.694 -1.192 3.041 54 HD23 LEU 8 HD23 LEU 8 -10.476 -1.472 1.486 55 H ILE 9 H ILE 9 -7.842 3.186 -1.363 56 HA ILE 9 HA ILE 9 -5.211 3.205 -0.044 57 HB ILE 9 HB ILE 9 -5.965 4.718 -2.577 58 HG12 ILE 9 HG12 ILE 9 -3.965 2.440 -2.247 59 HG13 ILE 9 HG13 ILE 9 -5.618 2.186 -2.797 60 HG21 ILE 9 HG21 ILE 9 -3.677 5.487 -2.617 61 HG22 ILE 9 HG22 ILE 9 -3.236 4.438 -1.272 62 HG23 ILE 9 HG23 ILE 9 -4.291 5.825 -0.998 63 HD11 ILE 9 HD11 ILE 9 -5.242 3.634 -4.737 64 HD12 ILE 9 HD12 ILE 9 -4.000 2.384 -4.693 65 HD13 ILE 9 HD13 ILE 9 -3.619 4.022 -4.164 66 H LEU 10 H LEU 10 -4.686 4.986 1.183 67 HA LEU 10 HA LEU 10 -6.766 6.448 2.393 68 HB2 LEU 10 HB2 LEU 10 -3.775 6.852 2.328 69 HB3 LEU 10 HB3 LEU 10 -4.859 7.878 3.264 70 HG LEU 10 HG LEU 10 -4.841 4.862 3.543 71 HD11 LEU 10 HD11 LEU 10 -3.336 5.063 5.390 72 HD12 LEU 10 HD12 LEU 10 -3.447 6.822 5.386 73 HD13 LEU 10 HD13 LEU 10 -2.601 5.989 4.083 74 HD21 LEU 10 HD21 LEU 10 -5.766 5.662 5.874 75 HD22 LEU 10 HD22 LEU 10 -6.841 5.740 4.482 76 HD23 LEU 10 HD23 LEU 10 -6.047 7.199 5.061 77 H SER 11 H SER 11 -7.560 8.452 2.080 78 HA SER 11 HA SER 11 -6.440 10.185 0.023 79 HB2 SER 11 HB2 SER 11 -8.598 10.502 -1.044 80 HB3 SER 11 HB3 SER 11 -8.116 8.814 -1.138 81 HG SER 11 HG SER 11 -9.582 8.301 0.401 82 H ASP 12 H ASP 12 -8.071 12.253 -0.026 83 HA ASP 12 HA ASP 12 -7.535 13.627 2.305 84 HB2 ASP 12 HB2 ASP 12 -9.102 15.348 1.511 85 HB3 ASP 12 HB3 ASP 12 -8.119 14.734 0.184 86 H ARG 13 H ARG 13 -10.521 11.880 1.449 87 HA ARG 13 HA ARG 13 -11.900 12.597 3.878 88 HB2 ARG 13 HB2 ARG 13 -13.034 11.898 1.717 89 HB3 ARG 13 HB3 ARG 13 -12.537 10.244 2.090 90 HG2 ARG 13 HG2 ARG 13 -13.651 10.663 4.418 91 HG3 ARG 13 HG3 ARG 13 -14.441 12.024 3.625 92 HD2 ARG 13 HD2 ARG 13 -15.965 10.234 3.394 93 HD3 ARG 13 HD3 ARG 13 -15.162 10.328 1.829 94 HE ARG 13 HE ARG 13 -13.610 8.533 3.100 95 HH11 ARG 13 HH11 ARG 13 -17.111 8.730 2.830 96 HH12 ARG 13 HH12 ARG 13 -17.339 7.020 2.982 97 HH21 ARG 13 HH21 ARG 13 -13.958 6.317 3.337 98 HH22 ARG 13 HH22 ARG 13 -15.561 5.663 3.270 99 H GLY 14 H GLY 14 -9.871 9.913 2.824 100 HA2 GLY 14 HA2 GLY 14 -8.686 8.942 4.949 101 HA3 GLY 14 HA3 GLY 14 -10.333 8.447 5.336 102 H TRP 15 H TRP 15 -9.979 6.218 5.176 103 HA TRP 15 HA TRP 15 -8.679 4.980 2.933 104 HB2 TRP 15 HB2 TRP 15 -10.328 3.977 5.243 105 HB3 TRP 15 HB3 TRP 15 -9.960 2.900 3.903 106 HD1 TRP 15 HD1 TRP 15 -7.150 2.996 3.255 107 HE1 TRP 15 HE1 TRP 15 -5.218 2.704 4.936 108 HE3 TRP 15 HE3 TRP 15 -9.576 4.190 7.584 109 HZ2 TRP 15 HZ2 TRP 15 -4.765 2.955 7.751 110 HZ3 TRP 15 HZ3 TRP 15 -8.371 4.154 9.752 111 HH2 TRP 15 HH2 TRP 15 -5.969 3.538 9.839 112 H LEU 16 H LEU 16 -9.466 4.851 0.948 113 HA LEU 16 HA LEU 16 -12.257 4.076 0.566 114 HB2 LEU 16 HB2 LEU 16 -11.040 6.612 -0.508 115 HB3 LEU 16 HB3 LEU 16 -12.322 5.797 -1.405 116 HG LEU 16 HG LEU 16 -12.598 6.476 1.537 117 HD11 LEU 16 HD11 LEU 16 -14.009 8.412 0.671 118 HD12 LEU 16 HD12 LEU 16 -13.257 8.138 -0.900 119 HD13 LEU 16 HD13 LEU 16 -12.266 8.597 0.484 120 HD21 LEU 16 HD21 LEU 16 -14.495 5.715 -0.703 121 HD22 LEU 16 HD22 LEU 16 -15.069 6.392 0.810 122 HD23 LEU 16 HD23 LEU 16 -14.213 4.850 0.805 123 H ARG 17 H ARG 17 -12.710 3.122 -1.475 124 HA ARG 17 HA ARG 17 -10.771 1.276 -2.279 125 HB2 ARG 17 HB2 ARG 17 -13.170 2.118 -3.942 126 HB3 ARG 17 HB3 ARG 17 -12.309 0.581 -4.024 127 HG2 ARG 17 HG2 ARG 17 -12.922 0.311 -1.519 128 HG3 ARG 17 HG3 ARG 17 -14.072 1.616 -1.787 129 HD2 ARG 17 HD2 ARG 17 -15.388 -0.266 -2.175 130 HD3 ARG 17 HD3 ARG 17 -14.871 0.138 -3.807 131 HE ARG 17 HE ARG 17 -12.990 -1.649 -2.670 132 HH11 ARG 17 HH11 ARG 17 -16.293 -1.622 -3.877 133 HH12 ARG 17 HH12 ARG 17 -16.301 -3.311 -4.260 134 HH21 ARG 17 HH21 ARG 17 -13.071 -3.870 -3.118 135 HH22 ARG 17 HH22 ARG 17 -14.482 -4.571 -3.835 136 H ILE 18 H ILE 18 -9.488 1.032 -4.067 137 HA ILE 18 HA ILE 18 -7.878 3.073 -4.865 138 HB ILE 18 HB ILE 18 -7.189 1.628 -6.819 139 HG12 ILE 18 HG12 ILE 18 -8.223 -0.776 -6.633 140 HG13 ILE 18 HG13 ILE 18 -9.559 0.008 -5.804 141 HG21 ILE 18 HG21 ILE 18 -5.977 1.296 -4.851 142 HG22 ILE 18 HG22 ILE 18 -6.537 -0.323 -5.243 143 HG23 ILE 18 HG23 ILE 18 -7.349 0.613 -3.988 144 HD11 ILE 18 HD11 ILE 18 -9.448 -0.303 -8.511 145 HD12 ILE 18 HD12 ILE 18 -8.752 1.304 -8.371 146 HD13 ILE 18 HD13 ILE 18 -10.356 0.972 -7.716 147 H ASP 19 H ASP 19 -11.055 2.592 -6.138 148 HA ASP 19 HA ASP 19 -10.454 4.530 -8.308 149 HB2 ASP 19 HB2 ASP 19 -10.978 2.328 -9.211 150 HB3 ASP 19 HB3 ASP 19 -12.494 2.285 -8.314 151 H ASP 20 H ASP 20 -11.245 5.113 -5.547 152 HA ASP 20 HA ASP 20 -13.958 6.151 -5.839 153 HB2 ASP 20 HB2 ASP 20 -12.099 6.061 -3.475 154 HB3 ASP 20 HB3 ASP 20 -13.619 6.952 -3.448 155 HA PRO 21 HA PRO 21 -13.144 10.290 -7.165 156 HB2 PRO 21 HB2 PRO 21 -14.791 11.234 -4.860 157 HB3 PRO 21 HB3 PRO 21 -14.923 11.630 -6.588 158 HG2 PRO 21 HG2 PRO 21 -16.643 9.978 -5.522 159 HG3 PRO 21 HG3 PRO 21 -15.935 9.604 -7.106 160 HD2 PRO 21 HD2 PRO 21 -15.258 8.425 -4.429 161 HD3 PRO 21 HD3 PRO 21 -15.408 7.624 -6.015 162 H THR 22 H THR 22 -12.724 9.657 -3.695 163 HA THR 22 HA THR 22 -11.403 12.064 -3.045 164 HB THR 22 HB THR 22 -10.632 10.862 -1.020 165 HG1 THR 22 HG1 THR 22 -10.459 8.813 -2.188 166 HG21 THR 22 HG21 THR 22 -12.813 10.631 -0.087 167 HG22 THR 22 HG22 THR 22 -13.519 10.284 -1.666 168 HG23 THR 22 HG23 THR 22 -12.912 11.901 -1.306 169 H LEU 23 H LEU 23 -10.052 8.943 -4.138 170 HA LEU 23 HA LEU 23 -7.385 10.165 -4.099 171 HB2 LEU 23 HB2 LEU 23 -6.646 7.838 -5.023 172 HB3 LEU 23 HB3 LEU 23 -7.058 8.020 -3.325 173 HG LEU 23 HG LEU 23 -9.411 7.217 -3.949 174 HD11 LEU 23 HD11 LEU 23 -9.241 7.621 -6.365 175 HD12 LEU 23 HD12 LEU 23 -9.551 5.917 -6.041 176 HD13 LEU 23 HD13 LEU 23 -7.928 6.452 -6.472 177 HD21 LEU 23 HD21 LEU 23 -7.875 5.746 -2.819 178 HD22 LEU 23 HD22 LEU 23 -7.002 5.434 -4.320 179 HD23 LEU 23 HD23 LEU 23 -8.643 4.838 -4.115 180 H GLN 24 H GLN 24 -9.944 9.912 -6.273 181 HA GLN 24 HA GLN 24 -8.262 9.981 -8.659 182 HB2 GLN 24 HB2 GLN 24 -11.147 9.643 -8.112 183 HB3 GLN 24 HB3 GLN 24 -10.829 10.668 -9.504 184 HG2 GLN 24 HG2 GLN 24 -10.961 8.463 -10.392 185 HG3 GLN 24 HG3 GLN 24 -9.233 8.808 -10.302 186 HE21 GLN 24 HE21 GLN 24 -8.093 7.099 -9.455 187 HE22 GLN 24 HE22 GLN 24 -8.682 5.984 -8.321 188 H GLU 25 H GLU 25 -10.119 12.253 -6.659 189 HA GLU 25 HA GLU 25 -9.087 14.467 -8.341 190 HB2 GLU 25 HB2 GLU 25 -11.782 14.173 -7.028 191 HB3 GLU 25 HB3 GLU 25 -11.176 15.709 -7.647 192 HG2 GLU 25 HG2 GLU 25 -10.977 14.806 -9.888 193 HG3 GLU 25 HG3 GLU 25 -11.357 13.185 -9.319 194 H CYS 26 H CYS 26 -9.041 13.202 -5.143 195 HA CYS 26 HA CYS 26 -8.169 15.837 -4.132 196 HB2 CYS 26 HB2 CYS 26 -9.644 13.704 -2.561 197 HB3 CYS 26 HB3 CYS 26 -8.970 15.185 -1.901 198 HG CYS 26 HG CYS 26 -10.613 16.368 -3.819 199 H ARG 27 H ARG 27 -6.701 15.748 -2.303 200 HA ARG 27 HA ARG 27 -4.349 14.394 -3.014 201 HB2 ARG 27 HB2 ARG 27 -5.042 15.749 -0.402 202 HB3 ARG 27 HB3 ARG 27 -3.422 15.268 -0.903 203 HG2 ARG 27 HG2 ARG 27 -3.479 16.782 -2.783 204 HG3 ARG 27 HG3 ARG 27 -5.178 17.158 -2.493 205 HD2 ARG 27 HD2 ARG 27 -2.915 17.747 -0.561 206 HD3 ARG 27 HD3 ARG 27 -3.666 18.929 -1.626 207 HE ARG 27 HE ARG 27 -5.716 17.739 -0.125 208 HH11 ARG 27 HH11 ARG 27 -2.907 19.760 0.472 209 HH12 ARG 27 HH12 ARG 27 -3.590 20.504 1.879 210 HH21 ARG 27 HH21 ARG 27 -6.569 18.733 1.718 211 HH22 ARG 27 HH22 ARG 27 -5.652 19.924 2.578 212 H VAL 28 H VAL 28 -3.093 12.884 -1.869 213 HA VAL 28 HA VAL 28 -4.566 11.091 -0.044 214 HB VAL 28 HB VAL 28 -3.463 9.141 -1.103 215 HG11 VAL 28 HG11 VAL 28 -5.143 10.932 -2.870 216 HG12 VAL 28 HG12 VAL 28 -5.691 9.604 -1.847 217 HG13 VAL 28 HG13 VAL 28 -4.745 9.268 -3.297 218 HG21 VAL 28 HG21 VAL 28 -2.501 11.223 -3.104 219 HG22 VAL 28 HG22 VAL 28 -2.412 9.481 -3.364 220 HG23 VAL 28 HG23 VAL 28 -1.487 10.226 -2.059 221 H LEU 29 H LEU 29 -3.188 9.801 1.367 222 HA LEU 29 HA LEU 29 -1.119 11.405 2.511 223 HB2 LEU 29 HB2 LEU 29 -2.160 8.655 3.176 224 HB3 LEU 29 HB3 LEU 29 -0.838 9.411 4.063 225 HG LEU 29 HG LEU 29 -3.529 10.753 3.672 226 HD11 LEU 29 HD11 LEU 29 -4.028 8.795 4.942 227 HD12 LEU 29 HD12 LEU 29 -3.839 10.077 6.133 228 HD13 LEU 29 HD13 LEU 29 -2.535 8.921 5.869 229 HD21 LEU 29 HD21 LEU 29 -1.068 11.271 5.373 230 HD22 LEU 29 HD22 LEU 29 -2.629 11.959 5.808 231 HD23 LEU 29 HD23 LEU 29 -1.882 12.376 4.268 232 H SER 30 H SER 30 1.005 11.236 2.518 233 HA SER 30 HA SER 30 2.401 8.923 1.468 234 HB2 SER 30 HB2 SER 30 1.925 10.156 -0.607 235 HB3 SER 30 HB3 SER 30 2.621 11.609 0.095 236 HG SER 30 HG SER 30 4.603 10.677 0.056 237 H TYR 31 H TYR 31 4.760 9.112 1.831 238 HA TYR 31 HA TYR 31 5.272 10.763 4.193 239 HB2 TYR 31 HB2 TYR 31 5.786 8.269 4.169 240 HB3 TYR 31 HB3 TYR 31 7.067 8.632 3.010 241 HD1 TYR 31 HD1 TYR 31 5.876 9.174 6.472 242 HD2 TYR 31 HD2 TYR 31 9.097 9.761 3.692 243 HE1 TYR 31 HE1 TYR 31 7.369 9.827 8.340 244 HE2 TYR 31 HE2 TYR 31 10.591 10.413 5.564 245 HH TYR 31 HH TYR 31 9.870 9.829 8.776 246 H ASN 32 H ASN 32 6.053 12.711 3.783 247 HA ASN 32 HA ASN 32 7.443 13.257 1.322 248 HB2 ASN 32 HB2 ASN 32 6.243 14.841 3.508 249 HB3 ASN 32 HB3 ASN 32 7.687 15.559 2.800 250 HD21 ASN 32 HD21 ASN 32 7.290 16.818 0.989 251 HD22 ASN 32 HD22 ASN 32 5.947 16.659 -0.040 252 H GLU 33 H GLU 33 9.327 12.204 1.313 253 HA GLU 33 HA GLU 33 11.176 11.953 3.421 254 HB2 GLU 33 HB2 GLU 33 11.521 11.969 0.420 255 HB3 GLU 33 HB3 GLU 33 12.881 11.720 1.514 256 HG2 GLU 33 HG2 GLU 33 10.356 10.070 1.679 257 HG3 GLU 33 HG3 GLU 33 11.721 9.608 0.662 258 H SER 34 H SER 34 10.508 14.620 1.271 259 HA SER 34 HA SER 34 12.866 16.115 1.498 260 HB2 SER 34 HB2 SER 34 11.101 16.614 -0.139 261 HB3 SER 34 HB3 SER 34 10.016 17.069 1.170 262 HG SER 34 HG SER 34 12.176 18.417 0.069 263 H THR 35 H THR 35 9.915 16.140 3.514 264 HA THR 35 HA THR 35 11.319 17.863 5.477 265 HB THR 35 HB THR 35 9.070 18.415 6.353 266 HG1 THR 35 HG1 THR 35 7.299 17.591 5.411 267 HG21 THR 35 HG21 THR 35 9.485 18.830 3.381 268 HG22 THR 35 HG22 THR 35 10.043 19.884 4.680 269 HG23 THR 35 HG23 THR 35 8.317 19.718 4.361 270 H GLN 36 H GLN 36 10.621 14.645 5.034 271 HA GLN 36 HA GLN 36 10.542 12.798 6.370 272 HB2 GLN 36 HB2 GLN 36 11.814 14.714 8.343 273 HB3 GLN 36 HB3 GLN 36 11.709 12.968 8.571 274 HG2 GLN 36 HG2 GLN 36 12.966 12.626 6.466 275 HG3 GLN 36 HG3 GLN 36 13.099 14.372 6.272 276 HE21 GLN 36 HE21 GLN 36 15.200 14.958 6.804 277 HE22 GLN 36 HE22 GLN 36 16.058 14.382 8.153 278 H GLN 37 H GLN 37 8.194 14.452 6.228 279 HA GLN 37 HA GLN 37 6.842 13.569 8.681 280 HB2 GLN 37 HB2 GLN 37 6.655 16.369 7.546 281 HB3 GLN 37 HB3 GLN 37 5.591 15.722 8.796 282 HG2 GLN 37 HG2 GLN 37 7.553 15.300 10.241 283 HG3 GLN 37 HG3 GLN 37 8.606 15.976 8.999 284 HE21 GLN 37 HE21 GLN 37 9.238 18.015 9.728 285 HE22 GLN 37 HE22 GLN 37 8.184 19.177 10.379 286 H TRP 38 H TRP 38 4.487 13.424 8.442 287 HA TRP 38 HA TRP 38 3.715 12.374 5.880 288 HB2 TRP 38 HB2 TRP 38 2.185 12.928 8.422 289 HB3 TRP 38 HB3 TRP 38 1.408 12.306 6.969 290 HD1 TRP 38 HD1 TRP 38 3.249 11.224 9.978 291 HE1 TRP 38 HE1 TRP 38 3.816 8.717 9.828 292 HE3 TRP 38 HE3 TRP 38 2.214 10.381 5.051 293 HZ2 TRP 38 HZ2 TRP 38 3.842 6.626 7.869 294 HZ3 TRP 38 HZ3 TRP 38 2.520 8.126 4.066 295 HH2 TRP 38 HH2 TRP 38 3.333 6.247 5.468 296 H GLU 39 H GLU 39 2.623 13.308 4.259 297 HA GLU 39 HA GLU 39 1.269 15.864 4.668 298 HB2 GLU 39 HB2 GLU 39 3.524 15.486 2.695 299 HB3 GLU 39 HB3 GLU 39 2.398 16.843 2.657 300 HG2 GLU 39 HG2 GLU 39 3.062 17.462 4.958 301 HG3 GLU 39 HG3 GLU 39 4.186 16.110 5.001 302 H TRP 40 H TRP 40 -0.140 16.463 2.927 303 HA TRP 40 HA TRP 40 -1.137 14.133 1.428 304 HB2 TRP 40 HB2 TRP 40 -2.393 16.612 2.534 305 HB3 TRP 40 HB3 TRP 40 -3.017 16.072 0.986 306 HD1 TRP 40 HD1 TRP 40 -3.882 13.448 0.913 307 HE1 TRP 40 HE1 TRP 40 -5.124 12.112 2.734 308 HE3 TRP 40 HE3 TRP 40 -2.727 16.262 5.015 309 HZ2 TRP 40 HZ2 TRP 40 -5.573 12.221 5.547 310 HZ3 TRP 40 HZ3 TRP 40 -3.579 15.623 7.256 311 HH2 TRP 40 HH2 TRP 40 -5.000 13.606 7.527 312 H GLN 41 H GLN 41 -0.397 13.922 -0.552 313 HA GLN 41 HA GLN 41 0.289 16.319 -2.133 314 HB2 GLN 41 HB2 GLN 41 1.237 13.479 -2.122 315 HB3 GLN 41 HB3 GLN 41 1.157 14.279 -3.689 316 HG2 GLN 41 HG2 GLN 41 3.388 14.589 -2.721 317 HG3 GLN 41 HG3 GLN 41 2.555 16.138 -2.796 318 HE21 GLN 41 HE21 GLN 41 2.402 13.443 -0.393 319 HE22 GLN 41 HE22 GLN 41 2.756 14.421 0.947 320 H GLN 42 H GLN 42 -0.467 16.463 -4.346 321 HA GLN 42 HA GLN 42 -3.219 15.633 -4.512 322 HB2 GLN 42 HB2 GLN 42 -1.458 17.404 -6.172 323 HB3 GLN 42 HB3 GLN 42 -3.012 16.862 -6.804 324 HG2 GLN 42 HG2 GLN 42 -2.694 18.211 -4.105 325 HG3 GLN 42 HG3 GLN 42 -3.031 19.103 -5.578 326 HE21 GLN 42 HE21 GLN 42 -4.676 16.062 -5.752 327 HE22 GLN 42 HE22 GLN 42 -6.185 16.596 -5.195 328 H VAL 43 H VAL 43 -4.158 14.326 -5.905 329 HA VAL 43 HA VAL 43 -2.598 12.139 -6.955 330 HB VAL 43 HB VAL 43 -4.807 11.183 -7.546 331 HG11 VAL 43 HG11 VAL 43 -5.808 11.322 -5.163 332 HG12 VAL 43 HG12 VAL 43 -4.420 12.341 -4.799 333 HG13 VAL 43 HG13 VAL 43 -4.175 10.684 -5.347 334 HG21 VAL 43 HG21 VAL 43 -6.846 12.575 -6.700 335 HG22 VAL 43 HG22 VAL 43 -6.131 12.976 -8.262 336 HG23 VAL 43 HG23 VAL 43 -5.759 13.961 -6.853 337 H LEU 44 H LEU 44 -1.465 12.510 -8.748 338 HA LEU 44 HA LEU 44 -1.940 14.472 -10.676 339 HB2 LEU 44 HB2 LEU 44 -0.528 11.853 -10.855 340 HB3 LEU 44 HB3 LEU 44 -0.493 13.043 -12.152 341 HG LEU 44 HG LEU 44 0.403 13.604 -9.312 342 HD11 LEU 44 HD11 LEU 44 1.921 12.807 -11.807 343 HD12 LEU 44 HD12 LEU 44 1.846 11.929 -10.280 344 HD13 LEU 44 HD13 LEU 44 2.703 13.471 -10.369 345 HD21 LEU 44 HD21 LEU 44 0.517 15.124 -11.943 346 HD22 LEU 44 HD22 LEU 44 1.599 15.510 -10.603 347 HD23 LEU 44 HD23 LEU 44 -0.143 15.665 -10.397 348 H ARG 45 H ARG 45 -2.586 10.922 -10.985 349 HA ARG 45 HA ARG 45 -5.011 11.244 -12.407 350 HB2 ARG 45 HB2 ARG 45 -4.430 11.126 -14.693 351 HB3 ARG 45 HB3 ARG 45 -3.123 12.120 -14.056 352 HG2 ARG 45 HG2 ARG 45 -1.736 10.002 -13.839 353 HG3 ARG 45 HG3 ARG 45 -3.012 9.182 -14.744 354 HD2 ARG 45 HD2 ARG 45 -1.487 11.609 -15.726 355 HD3 ARG 45 HD3 ARG 45 -1.177 9.951 -16.230 356 HE ARG 45 HE ARG 45 -3.442 11.625 -17.021 357 HH11 ARG 45 HH11 ARG 45 -2.084 8.385 -16.954 358 HH12 ARG 45 HH12 ARG 45 -3.105 7.801 -18.226 359 HH21 ARG 45 HH21 ARG 45 -4.755 10.820 -18.675 360 HH22 ARG 45 HH22 ARG 45 -4.607 9.175 -19.193 361 H TRP 46 H TRP 46 -6.098 9.349 -12.449 362 HA TRP 46 HA TRP 46 -5.052 7.095 -11.070 363 HB2 TRP 46 HB2 TRP 46 -7.449 7.824 -11.153 364 HB3 TRP 46 HB3 TRP 46 -7.514 7.242 -12.806 365 HD1 TRP 46 HD1 TRP 46 -6.082 5.586 -9.576 366 HE1 TRP 46 HE1 TRP 46 -7.179 3.263 -9.338 367 HE3 TRP 46 HE3 TRP 46 -9.148 5.630 -13.665 368 HZ2 TRP 46 HZ2 TRP 46 -9.075 1.631 -10.721 369 HZ3 TRP 46 HZ3 TRP 46 -10.581 3.676 -14.183 370 HH2 TRP 46 HH2 TRP 46 -10.548 1.677 -12.716 371 H LEU 47 H LEU 47 -3.822 5.527 -11.797 372 HA LEU 47 HA LEU 47 -3.566 5.008 -14.688 373 HB2 LEU 47 HB2 LEU 47 -1.658 4.928 -12.378 374 HB3 LEU 47 HB3 LEU 47 -1.418 3.729 -13.634 375 HG LEU 47 HG LEU 47 -0.027 5.697 -14.055 376 HD11 LEU 47 HD11 LEU 47 -1.162 4.438 -15.969 377 HD12 LEU 47 HD12 LEU 47 -0.501 6.033 -16.332 378 HD13 LEU 47 HD13 LEU 47 -2.237 5.832 -16.095 379 HD21 LEU 47 HD21 LEU 47 -2.645 7.226 -14.064 380 HD22 LEU 47 HD22 LEU 47 -1.103 7.891 -14.606 381 HD23 LEU 47 HD23 LEU 47 -1.313 7.413 -12.922 382 H ASP 48 H ASP 48 -4.260 3.101 -15.469 383 HA ASP 48 HA ASP 48 -5.071 0.968 -13.609 384 HB2 ASP 48 HB2 ASP 48 -6.123 -0.061 -15.584 385 HB3 ASP 48 HB3 ASP 48 -6.673 1.595 -15.374 386 H GLN 49 H GLN 49 -4.212 -1.127 -13.745 387 HA GLN 49 HA GLN 49 -1.648 -1.358 -15.223 388 HB2 GLN 49 HB2 GLN 49 -2.393 -2.172 -12.430 389 HB3 GLN 49 HB3 GLN 49 -1.144 -3.069 -13.292 390 HG2 GLN 49 HG2 GLN 49 -0.035 -1.330 -12.043 391 HG3 GLN 49 HG3 GLN 49 0.007 -0.857 -13.740 392 HE21 GLN 49 HE21 GLN 49 -2.473 -0.540 -11.121 393 HE22 GLN 49 HE22 GLN 49 -2.725 1.119 -11.378 394 H GLY 50 H GLY 50 -4.770 -2.676 -14.871 395 HA2 GLY 50 HA2 GLY 50 -5.793 -4.417 -16.003 396 HA3 GLY 50 HA3 GLY 50 -4.272 -4.698 -16.842 397 H VAL 51 H VAL 51 -4.602 -6.962 -16.640 398 HA VAL 51 HA VAL 51 -4.893 -8.241 -14.105 399 HB VAL 51 HB VAL 51 -4.435 -10.339 -15.329 400 HG11 VAL 51 HG11 VAL 51 -6.262 -8.488 -16.880 401 HG12 VAL 51 HG12 VAL 51 -6.688 -9.246 -15.345 402 HG13 VAL 51 HG13 VAL 51 -6.383 -10.244 -16.768 403 HG21 VAL 51 HG21 VAL 51 -2.741 -9.656 -16.916 404 HG22 VAL 51 HG22 VAL 51 -3.795 -8.423 -17.605 405 HG23 VAL 51 HG23 VAL 51 -4.155 -10.129 -17.856 406 H ARG 52 H ARG 52 -3.425 -8.594 -12.592 407 HA ARG 52 HA ARG 52 -0.673 -9.227 -13.270 408 HB2 ARG 52 HB2 ARG 52 -0.714 -6.723 -13.179 409 HB3 ARG 52 HB3 ARG 52 -1.224 -6.832 -11.492 410 HG2 ARG 52 HG2 ARG 52 0.824 -8.023 -10.906 411 HG3 ARG 52 HG3 ARG 52 1.323 -8.058 -12.597 412 HD2 ARG 52 HD2 ARG 52 0.859 -5.525 -10.997 413 HD3 ARG 52 HD3 ARG 52 2.440 -6.243 -11.295 414 HE ARG 52 HE ARG 52 1.192 -5.901 -13.786 415 HH11 ARG 52 HH11 ARG 52 2.395 -3.870 -11.180 416 HH12 ARG 52 HH12 ARG 52 2.748 -2.533 -12.222 417 HH21 ARG 52 HH21 ARG 52 1.671 -4.129 -15.110 418 HH22 ARG 52 HH22 ARG 52 2.339 -2.681 -14.433 419 H GLU 53 H GLU 53 0.329 -10.454 -11.774 420 HA GLU 53 HA GLU 53 -1.146 -11.850 -9.793 421 HB2 GLU 53 HB2 GLU 53 0.891 -12.733 -10.958 422 HB3 GLU 53 HB3 GLU 53 1.867 -11.585 -10.044 423 HG2 GLU 53 HG2 GLU 53 1.119 -12.610 -7.932 424 HG3 GLU 53 HG3 GLU 53 0.112 -13.740 -8.831 425 H THR 54 H THR 54 -1.262 -11.584 -7.526 426 HA THR 54 HA THR 54 0.186 -9.220 -6.475 427 HB THR 54 HB THR 54 -2.114 -8.521 -7.085 428 HG1 THR 54 HG1 THR 54 -2.259 -7.320 -5.324 429 HG21 THR 54 HG21 THR 54 -2.836 -10.848 -5.368 430 HG22 THR 54 HG22 THR 54 -3.709 -10.115 -6.714 431 HG23 THR 54 HG23 THR 54 -3.771 -9.374 -5.115 432 H TRP 55 H TRP 55 0.725 -9.119 -4.360 433 HA TRP 55 HA TRP 55 0.467 -11.602 -2.774 434 HB2 TRP 55 HB2 TRP 55 2.692 -9.584 -3.049 435 HB3 TRP 55 HB3 TRP 55 2.559 -10.571 -1.598 436 HD1 TRP 55 HD1 TRP 55 1.998 -11.678 -5.297 437 HE1 TRP 55 HE1 TRP 55 3.593 -13.650 -5.770 438 HE3 TRP 55 HE3 TRP 55 4.582 -11.840 -0.889 439 HZ2 TRP 55 HZ2 TRP 55 5.692 -15.079 -4.485 440 HZ3 TRP 55 HZ3 TRP 55 6.380 -13.513 -0.549 441 HH2 TRP 55 HH2 TRP 55 6.937 -15.131 -2.343 442 H LYS 56 H LYS 56 -0.637 -11.425 -0.870 443 HA LYS 56 HA LYS 56 -1.506 -8.761 -0.009 444 HB2 LYS 56 HB2 LYS 56 -3.252 -10.472 -0.357 445 HB3 LYS 56 HB3 LYS 56 -2.508 -11.480 0.881 446 HG2 LYS 56 HG2 LYS 56 -2.924 -9.721 2.587 447 HG3 LYS 56 HG3 LYS 56 -3.641 -8.692 1.341 448 HD2 LYS 56 HD2 LYS 56 -5.401 -10.352 0.944 449 HD3 LYS 56 HD3 LYS 56 -4.671 -11.436 2.128 450 HE2 LYS 56 HE2 LYS 56 -6.527 -10.230 3.161 451 HE3 LYS 56 HE3 LYS 56 -5.007 -9.698 3.880 452 HZ1 LYS 56 HZ1 LYS 56 -5.119 -7.679 2.855 453 HZ2 LYS 56 HZ2 LYS 56 -6.779 -7.985 3.049 454 HZ3 LYS 56 HZ3 LYS 56 -6.031 -8.252 1.546 455 H ILE 57 H ILE 57 0.004 -7.860 1.184 456 HA ILE 57 HA ILE 57 1.391 -9.261 3.301 457 HB ILE 57 HB ILE 57 1.350 -6.268 2.754 458 HG12 ILE 57 HG12 ILE 57 3.758 -6.942 1.805 459 HG13 ILE 57 HG13 ILE 57 3.014 -8.525 1.595 460 HG21 ILE 57 HG21 ILE 57 3.342 -7.972 4.281 461 HG22 ILE 57 HG22 ILE 57 2.091 -6.982 5.032 462 HG23 ILE 57 HG23 ILE 57 3.380 -6.218 4.102 463 HD11 ILE 57 HD11 ILE 57 2.928 -6.756 -0.350 464 HD12 ILE 57 HD12 ILE 57 1.583 -6.082 0.564 465 HD13 ILE 57 HD13 ILE 57 1.517 -7.750 -0.009 466 H LYS 58 H LYS 58 0.299 -9.796 4.982 467 HA LYS 58 HA LYS 58 -1.975 -8.268 5.972 468 HB2 LYS 58 HB2 LYS 58 -2.217 -10.718 5.684 469 HB3 LYS 58 HB3 LYS 58 -0.848 -10.984 6.722 470 HG2 LYS 58 HG2 LYS 58 -2.882 -11.364 8.016 471 HG3 LYS 58 HG3 LYS 58 -2.078 -9.923 8.628 472 HD2 LYS 58 HD2 LYS 58 -3.627 -8.479 7.563 473 HD3 LYS 58 HD3 LYS 58 -4.289 -9.775 6.563 474 HE2 LYS 58 HE2 LYS 58 -5.839 -9.311 8.389 475 HE3 LYS 58 HE3 LYS 58 -5.101 -10.890 8.655 476 HZ1 LYS 58 HZ1 LYS 58 -4.125 -8.364 9.871 477 HZ2 LYS 58 HZ2 LYS 58 -3.579 -9.937 10.208 478 HZ3 LYS 58 HZ3 LYS 58 -5.148 -9.464 10.656 479 H THR 59 H THR 59 -1.851 -6.943 7.688 480 HA THR 59 HA THR 59 0.375 -7.273 9.615 481 HB THR 59 HB THR 59 0.723 -4.897 9.798 482 HG1 THR 59 HG1 THR 59 -0.501 -3.525 8.303 483 HG21 THR 59 HG21 THR 59 1.780 -4.449 7.764 484 HG22 THR 59 HG22 THR 59 0.533 -5.266 6.821 485 HG23 THR 59 HG23 THR 59 1.691 -6.211 7.764 486 H PHE 60 H PHE 60 -0.040 -6.230 11.691 487 HA PHE 60 HA PHE 60 -2.442 -7.137 12.797 488 HB2 PHE 60 HB2 PHE 60 -0.310 -6.827 14.054 489 HB3 PHE 60 HB3 PHE 60 -0.548 -5.083 13.972 490 HD1 PHE 60 HD1 PHE 60 -1.958 -8.262 15.290 491 HD2 PHE 60 HD2 PHE 60 -2.115 -3.970 15.419 492 HE1 PHE 60 HE1 PHE 60 -3.419 -8.376 17.290 493 HE2 PHE 60 HE2 PHE 60 -3.576 -4.085 17.421 494 HZ PHE 60 HZ PHE 60 -4.228 -6.288 18.356 495 H GLN 61 H GLN 61 -1.458 -3.879 11.790 496 HA GLN 61 HA GLN 61 -3.977 -2.733 12.698 497 HB2 GLN 61 HB2 GLN 61 -1.624 -1.473 11.275 498 HB3 GLN 61 HB3 GLN 61 -3.026 -0.597 11.885 499 HG2 GLN 61 HG2 GLN 61 -2.515 -1.474 14.176 500 HG3 GLN 61 HG3 GLN 61 -1.051 -2.207 13.517 501 HE21 GLN 61 HE21 GLN 61 0.693 -0.938 14.135 502 HE22 GLN 61 HE22 GLN 61 0.729 0.764 14.061 503 H THR 62 H THR 62 -2.505 -3.727 9.649 504 HA THR 62 HA THR 62 -5.056 -3.250 8.291 505 HB THR 62 HB THR 62 -4.031 -1.971 6.460 506 HG1 THR 62 HG1 THR 62 -1.908 -1.118 6.889 507 HG21 THR 62 HG21 THR 62 -5.053 -0.867 8.516 508 HG22 THR 62 HG22 THR 62 -3.929 0.132 7.592 509 HG23 THR 62 HG23 THR 62 -3.404 -0.627 9.095 510 H GLU 63 H GLU 63 -4.636 -3.749 5.785 511 HA GLU 63 HA GLU 63 -2.788 -5.884 5.246 512 HB2 GLU 63 HB2 GLU 63 -4.475 -7.588 4.694 513 HB3 GLU 63 HB3 GLU 63 -4.608 -7.116 6.389 514 HG2 GLU 63 HG2 GLU 63 -6.442 -5.513 5.732 515 HG3 GLU 63 HG3 GLU 63 -6.370 -6.194 4.106 516 H ILE 64 H ILE 64 -2.505 -6.188 2.981 517 HA ILE 64 HA ILE 64 -4.301 -4.929 1.088 518 HB ILE 64 HB ILE 64 -3.135 -2.974 2.028 519 HG12 ILE 64 HG12 ILE 64 -2.191 -2.090 -0.185 520 HG13 ILE 64 HG13 ILE 64 -2.513 -3.685 -0.858 521 HG21 ILE 64 HG21 ILE 64 -0.595 -4.063 0.814 522 HG22 ILE 64 HG22 ILE 64 -1.004 -4.274 2.518 523 HG23 ILE 64 HG23 ILE 64 -0.791 -2.654 1.856 524 HD11 ILE 64 HD11 ILE 64 -4.835 -3.447 -0.654 525 HD12 ILE 64 HD12 ILE 64 -4.327 -1.816 -1.090 526 HD13 ILE 64 HD13 ILE 64 -4.705 -2.198 0.586 527 H LYS 65 H LYS 65 -3.948 -5.513 -1.065 528 HA LYS 65 HA LYS 65 -1.720 -7.376 -1.529 529 HB2 LYS 65 HB2 LYS 65 -3.228 -8.322 -3.379 530 HB3 LYS 65 HB3 LYS 65 -3.636 -8.728 -1.718 531 HG2 LYS 65 HG2 LYS 65 -4.918 -6.271 -2.919 532 HG3 LYS 65 HG3 LYS 65 -5.498 -7.843 -3.458 533 HD2 LYS 65 HD2 LYS 65 -5.853 -8.485 -1.057 534 HD3 LYS 65 HD3 LYS 65 -5.423 -6.840 -0.593 535 HE2 LYS 65 HE2 LYS 65 -7.845 -7.009 -0.730 536 HE3 LYS 65 HE3 LYS 65 -7.266 -5.989 -2.047 537 HZ1 LYS 65 HZ1 LYS 65 -8.944 -7.922 -2.487 538 HZ2 LYS 65 HZ2 LYS 65 -7.533 -8.869 -2.516 539 HZ3 LYS 65 HZ3 LYS 65 -7.714 -7.575 -3.601 540 H CYS 66 H CYS 66 -0.231 -6.700 -2.839 541 HA CYS 66 HA CYS 66 -0.906 -4.851 -5.032 542 HB2 CYS 66 HB2 CYS 66 1.118 -3.556 -4.571 543 HB3 CYS 66 HB3 CYS 66 0.107 -3.607 -3.129 544 HG CYS 66 HG CYS 66 2.052 -5.881 -2.984 545 H THR 67 H THR 67 1.528 -4.639 -6.286 546 HA THR 67 HA THR 67 1.682 -6.929 -7.841 547 HB THR 67 HB THR 67 3.910 -4.922 -7.327 548 HG1 THR 67 HG1 THR 67 2.609 -3.650 -8.348 549 HG21 THR 67 HG21 THR 67 4.853 -6.801 -8.486 550 HG22 THR 67 HG22 THR 67 4.534 -5.579 -9.715 551 HG23 THR 67 HG23 THR 67 3.441 -6.949 -9.532 552 H GLY 68 H GLY 68 3.688 -6.067 -5.026 553 HA2 GLY 68 HA2 GLY 68 4.522 -7.612 -3.432 554 HA3 GLY 68 HA3 GLY 68 4.225 -8.902 -4.575 555 H ASN 69 H ASN 69 5.697 -6.876 -6.571 556 HA ASN 69 HA ASN 69 8.386 -7.948 -5.982 557 HB2 ASN 69 HB2 ASN 69 7.226 -6.986 -8.601 558 HB3 ASN 69 HB3 ASN 69 8.847 -7.649 -8.375 559 HD21 ASN 69 HD21 ASN 69 8.613 -9.892 -6.945 560 HD22 ASN 69 HD22 ASN 69 7.486 -10.976 -7.608 561 H HIS 70 H HIS 70 6.604 -5.004 -6.201 562 HA HIS 70 HA HIS 70 8.902 -3.299 -6.668 563 HB2 HIS 70 HB2 HIS 70 6.028 -2.702 -5.961 564 HB3 HIS 70 HB3 HIS 70 7.257 -1.456 -6.178 565 HD2 HIS 70 HD2 HIS 70 4.843 -3.481 -8.341 566 HE1 HIS 70 HE1 HIS 70 7.728 -1.886 -10.980 567 HE2 HIS 70 HE2 HIS 70 5.473 -3.045 -10.837 568 H LEU 71 H LEU 71 9.713 -1.752 -5.175 569 HA LEU 71 HA LEU 71 10.061 -2.815 -2.525 570 HB2 LEU 71 HB2 LEU 71 10.921 -0.111 -3.615 571 HB3 LEU 71 HB3 LEU 71 11.504 -0.880 -2.147 572 HG LEU 71 HG LEU 71 11.859 -2.047 -4.934 573 HD11 LEU 71 HD11 LEU 71 14.277 -1.382 -4.545 574 HD12 LEU 71 HD12 LEU 71 13.714 -0.418 -3.179 575 HD13 LEU 71 HD13 LEU 71 13.168 -0.036 -4.812 576 HD21 LEU 71 HD21 LEU 71 13.715 -3.333 -3.541 577 HD22 LEU 71 HD22 LEU 71 12.044 -3.862 -3.451 578 HD23 LEU 71 HD23 LEU 71 12.722 -2.881 -2.153 579 H ILE 72 H ILE 72 9.189 -2.099 -0.627 580 HA ILE 72 HA ILE 72 7.340 0.196 -0.698 581 HB ILE 72 HB ILE 72 5.772 -1.012 0.784 582 HG12 ILE 72 HG12 ILE 72 7.401 -3.511 0.163 583 HG13 ILE 72 HG13 ILE 72 7.578 -2.616 1.671 584 HG21 ILE 72 HG21 ILE 72 6.401 -2.472 -1.805 585 HG22 ILE 72 HG22 ILE 72 5.417 -1.016 -1.658 586 HG23 ILE 72 HG23 ILE 72 4.862 -2.530 -0.944 587 HD11 ILE 72 HD11 ILE 72 5.390 -3.141 2.386 588 HD12 ILE 72 HD12 ILE 72 5.928 -4.638 1.626 589 HD13 ILE 72 HD13 ILE 72 4.852 -3.548 0.756 590 H ARG 73 H ARG 73 7.177 1.381 1.254 591 HA ARG 73 HA ARG 73 9.628 1.446 2.704 592 HB2 ARG 73 HB2 ARG 73 8.134 3.464 2.231 593 HB3 ARG 73 HB3 ARG 73 7.108 2.874 3.539 594 HG2 ARG 73 HG2 ARG 73 8.568 4.365 4.655 595 HG3 ARG 73 HG3 ARG 73 9.310 2.796 4.951 596 HD2 ARG 73 HD2 ARG 73 11.128 4.078 4.264 597 HD3 ARG 73 HD3 ARG 73 10.659 3.277 2.773 598 HE ARG 73 HE ARG 73 9.240 5.685 2.872 599 HH11 ARG 73 HH11 ARG 73 12.606 4.692 2.719 600 HH12 ARG 73 HH12 ARG 73 13.113 6.114 1.870 601 HH21 ARG 73 HH21 ARG 73 9.940 7.512 1.743 602 HH22 ARG 73 HH22 ARG 73 11.609 7.695 1.318 603 H THR 74 H THR 74 10.207 0.684 4.603 604 HA THR 74 HA THR 74 8.221 -0.384 6.477 605 HB THR 74 HB THR 74 8.911 -2.328 5.115 606 HG1 THR 74 HG1 THR 74 9.243 -3.579 6.828 607 HG21 THR 74 HG21 THR 74 11.427 -3.033 5.656 608 HG22 THR 74 HG22 THR 74 11.656 -1.289 5.725 609 HG23 THR 74 HG23 THR 74 11.029 -2.040 4.258 610 H ASP 75 H ASP 75 9.730 -1.304 8.466 611 HA ASP 75 HA ASP 75 10.721 0.974 9.741 612 HB2 ASP 75 HB2 ASP 75 11.664 -0.579 11.415 613 HB3 ASP 75 HB3 ASP 75 10.009 -0.993 10.989 614 H LYS 76 H LYS 76 12.314 -1.231 7.546 615 HA LYS 76 HA LYS 76 14.964 -0.087 8.148 616 HB2 LYS 76 HB2 LYS 76 14.177 -2.494 6.499 617 HB3 LYS 76 HB3 LYS 76 15.831 -1.915 6.698 618 HG2 LYS 76 HG2 LYS 76 15.639 -2.200 9.144 619 HG3 LYS 76 HG3 LYS 76 13.991 -2.796 8.942 620 HD2 LYS 76 HD2 LYS 76 14.830 -4.660 7.557 621 HD3 LYS 76 HD3 LYS 76 16.479 -4.072 7.769 622 HE2 LYS 76 HE2 LYS 76 16.284 -4.380 10.207 623 HE3 LYS 76 HE3 LYS 76 14.634 -4.968 10.003 624 HZ1 LYS 76 HZ1 LYS 76 16.651 -6.612 10.116 625 HZ2 LYS 76 HZ2 LYS 76 16.768 -6.250 8.460 626 HZ3 LYS 76 HZ3 LYS 76 15.336 -6.916 9.091 627 H GLY 77 H GLY 77 12.533 0.945 6.322 628 HA2 GLY 77 HA2 GLY 77 12.715 2.670 4.686 629 HA3 GLY 77 HA3 GLY 77 14.289 2.029 4.220 630 H TRP 78 H TRP 78 13.439 2.163 1.988 631 HA TRP 78 HA TRP 78 11.207 0.662 1.102 632 HB2 TRP 78 HB2 TRP 78 13.695 1.493 -0.418 633 HB3 TRP 78 HB3 TRP 78 12.246 0.829 -1.163 634 HD1 TRP 78 HD1 TRP 78 13.788 4.013 -0.350 635 HE1 TRP 78 HE1 TRP 78 12.067 5.933 -0.396 636 HE3 TRP 78 HE3 TRP 78 9.455 1.319 -0.338 637 HZ2 TRP 78 HZ2 TRP 78 9.233 6.280 -0.412 638 HZ3 TRP 78 HZ3 TRP 78 7.256 2.469 -0.359 639 HH2 TRP 78 HH2 TRP 78 7.141 4.946 -0.395 640 H ILE 79 H ILE 79 10.932 -1.449 0.911 641 HA ILE 79 HA ILE 79 13.192 -3.217 0.342 642 HB ILE 79 HB ILE 79 11.254 -3.723 2.623 643 HG12 ILE 79 HG12 ILE 79 12.949 -1.997 3.195 644 HG13 ILE 79 HG13 ILE 79 13.208 -3.469 4.124 645 HG21 ILE 79 HG21 ILE 79 13.587 -5.384 1.615 646 HG22 ILE 79 HG22 ILE 79 11.879 -5.820 1.550 647 HG23 ILE 79 HG23 ILE 79 12.699 -5.702 3.106 648 HD11 ILE 79 HD11 ILE 79 14.769 -3.568 1.648 649 HD12 ILE 79 HD12 ILE 79 15.325 -3.645 3.315 650 HD13 ILE 79 HD13 ILE 79 15.112 -2.082 2.537 651 H LYS 80 H LYS 80 12.713 -4.913 -0.942 652 HA LYS 80 HA LYS 80 10.425 -4.902 -2.569 653 HB2 LYS 80 HB2 LYS 80 12.575 -6.032 -3.147 654 HB3 LYS 80 HB3 LYS 80 12.220 -7.272 -1.947 655 HG2 LYS 80 HG2 LYS 80 10.174 -7.890 -3.169 656 HG3 LYS 80 HG3 LYS 80 10.494 -6.629 -4.362 657 HD2 LYS 80 HD2 LYS 80 12.620 -7.728 -4.958 658 HD3 LYS 80 HD3 LYS 80 12.299 -8.993 -3.770 659 HE2 LYS 80 HE2 LYS 80 10.247 -9.620 -4.978 660 HE3 LYS 80 HE3 LYS 80 10.552 -8.351 -6.164 661 HZ1 LYS 80 HZ1 LYS 80 12.626 -10.362 -5.617 662 HZ2 LYS 80 HZ2 LYS 80 12.346 -9.461 -7.030 663 HZ3 LYS 80 HZ3 LYS 80 11.328 -10.762 -6.631 664 H ALA 81 H ALA 81 8.408 -5.724 -2.375 665 HA ALA 81 HA ALA 81 7.345 -6.393 0.119 666 HB1 ALA 81 HB1 ALA 81 5.425 -7.376 -1.361 667 HB2 ALA 81 HB2 ALA 81 6.350 -6.676 -2.689 668 HB3 ALA 81 HB3 ALA 81 5.754 -5.644 -1.390 669 H ALA 82 H ALA 82 8.452 -8.486 -2.501 670 HA ALA 82 HA ALA 82 7.645 -10.970 -1.434 671 HB1 ALA 82 HB1 ALA 82 8.635 -10.378 -3.774 672 HB2 ALA 82 HB2 ALA 82 8.997 -11.951 -3.062 673 HB3 ALA 82 HB3 ALA 82 10.192 -10.654 -2.993 674 H ASN 83 H ASN 83 10.485 -8.953 -0.877 675 HA ASN 83 HA ASN 83 11.951 -10.859 0.669 676 HB2 ASN 83 HB2 ASN 83 12.857 -8.792 -0.557 677 HB3 ASN 83 HB3 ASN 83 12.287 -7.875 0.843 678 HD21 ASN 83 HD21 ASN 83 14.331 -7.371 1.781 679 HD22 ASN 83 HD22 ASN 83 15.403 -8.556 2.352 680 H ILE 84 H ILE 84 9.487 -8.459 1.438 681 HA ILE 84 HA ILE 84 9.945 -8.081 4.161 682 HB ILE 84 HB ILE 84 7.245 -8.261 2.781 683 HG12 ILE 84 HG12 ILE 84 8.701 -6.592 1.685 684 HG13 ILE 84 HG13 ILE 84 7.413 -5.785 2.556 685 HG21 ILE 84 HG21 ILE 84 6.348 -6.948 4.606 686 HG22 ILE 84 HG22 ILE 84 7.946 -6.763 5.327 687 HG23 ILE 84 HG23 ILE 84 7.172 -8.347 5.296 688 HD11 ILE 84 HD11 ILE 84 10.345 -5.981 3.312 689 HD12 ILE 84 HD12 ILE 84 9.115 -5.536 4.495 690 HD13 ILE 84 HD13 ILE 84 9.373 -4.527 3.075 691 H THR 85 H THR 85 9.617 -9.192 5.945 692 HA THR 85 HA THR 85 8.446 -11.906 5.776 693 HB THR 85 HB THR 85 9.978 -12.484 7.667 694 HG1 THR 85 HG1 THR 85 11.074 -10.997 8.623 695 HG21 THR 85 HG21 THR 85 10.642 -12.728 5.212 696 HG22 THR 85 HG22 THR 85 11.964 -12.686 6.377 697 HG23 THR 85 HG23 THR 85 11.582 -11.250 5.427 698 HA PRO 86 HA PRO 86 5.366 -10.728 8.765 699 HB2 PRO 86 HB2 PRO 86 5.707 -12.544 10.866 700 HB3 PRO 86 HB3 PRO 86 4.753 -12.836 9.399 701 HG2 PRO 86 HG2 PRO 86 7.552 -13.651 10.019 702 HG3 PRO 86 HG3 PRO 86 6.267 -14.560 9.201 703 HD2 PRO 86 HD2 PRO 86 8.208 -13.468 7.763 704 HD3 PRO 86 HD3 PRO 86 6.526 -13.389 7.187 705 H LYS 87 H LYS 87 8.642 -11.154 9.879 706 HA LYS 87 HA LYS 87 8.517 -9.866 12.399 707 HB2 LYS 87 HB2 LYS 87 10.425 -11.276 11.695 708 HB3 LYS 87 HB3 LYS 87 10.844 -10.091 10.462 709 HG2 LYS 87 HG2 LYS 87 11.223 -8.389 12.215 710 HG3 LYS 87 HG3 LYS 87 10.800 -9.571 13.455 711 HD2 LYS 87 HD2 LYS 87 12.679 -10.994 12.758 712 HD3 LYS 87 HD3 LYS 87 13.099 -9.833 11.497 713 HE2 LYS 87 HE2 LYS 87 13.478 -8.102 13.193 714 HE3 LYS 87 HE3 LYS 87 13.048 -9.243 14.467 715 HZ1 LYS 87 HZ1 LYS 87 15.487 -8.974 14.032 716 HZ2 LYS 87 HZ2 LYS 87 15.237 -9.732 12.532 717 HZ3 LYS 87 HZ3 LYS 87 14.919 -10.570 13.976 718 H MET 88 H MET 88 9.066 -8.652 9.114 719 HA MET 88 HA MET 88 9.925 -6.079 9.649 720 HB2 MET 88 HB2 MET 88 8.591 -7.404 7.351 721 HB3 MET 88 HB3 MET 88 8.367 -5.664 7.407 722 HG2 MET 88 HG2 MET 88 10.349 -5.934 6.145 723 HG3 MET 88 HG3 MET 88 10.942 -5.546 7.756 724 HE1 MET 88 HE1 MET 88 13.336 -6.958 6.280 725 HE2 MET 88 HE2 MET 88 12.000 -6.863 5.136 726 HE3 MET 88 HE3 MET 88 12.797 -8.408 5.415 727 H LYS 89 H LYS 89 9.021 -4.132 10.060 728 HA LYS 89 HA LYS 89 6.138 -4.066 10.660 729 HB2 LYS 89 HB2 LYS 89 8.361 -2.763 12.262 730 HB3 LYS 89 HB3 LYS 89 6.634 -2.538 12.556 731 HG2 LYS 89 HG2 LYS 89 6.366 -4.946 12.987 732 HG3 LYS 89 HG3 LYS 89 8.073 -5.215 12.641 733 HD2 LYS 89 HD2 LYS 89 7.914 -5.127 15.021 734 HD3 LYS 89 HD3 LYS 89 8.569 -3.562 14.540 735 HE2 LYS 89 HE2 LYS 89 6.345 -2.551 14.705 736 HE3 LYS 89 HE3 LYS 89 5.639 -4.115 15.102 737 HZ1 LYS 89 HZ1 LYS 89 7.469 -2.451 16.716 738 HZ2 LYS 89 HZ2 LYS 89 7.313 -4.117 17.007 739 HZ3 LYS 89 HZ3 LYS 89 5.962 -3.096 17.149 740 H ILE 90 H ILE 90 5.026 -2.274 9.976 741 HA ILE 90 HA ILE 90 6.560 -0.327 8.345 742 HB ILE 90 HB ILE 90 3.646 -1.063 7.970 743 HG12 ILE 90 HG12 ILE 90 4.933 -3.151 7.574 744 HG13 ILE 90 HG13 ILE 90 4.370 -2.510 6.039 745 HG21 ILE 90 HG21 ILE 90 4.515 1.101 7.061 746 HG22 ILE 90 HG22 ILE 90 3.868 0.017 5.835 747 HG23 ILE 90 HG23 ILE 90 5.609 0.174 6.041 748 HD11 ILE 90 HD11 ILE 90 6.756 -3.325 5.999 749 HD12 ILE 90 HD12 ILE 90 7.163 -2.050 7.146 750 HD13 ILE 90 HD13 ILE 90 6.581 -1.635 5.534 751 H LEU 91 H LEU 91 6.423 1.802 8.923 752 HA LEU 91 HA LEU 91 4.760 2.568 11.157 753 HB2 LEU 91 HB2 LEU 91 5.736 4.794 10.906 754 HB3 LEU 91 HB3 LEU 91 6.977 3.557 10.927 755 HG LEU 91 HG LEU 91 6.257 3.888 8.146 756 HD11 LEU 91 HD11 LEU 91 6.977 6.589 9.265 757 HD12 LEU 91 HD12 LEU 91 5.298 6.103 9.049 758 HD13 LEU 91 HD13 LEU 91 6.379 6.173 7.657 759 HD21 LEU 91 HD21 LEU 91 8.692 5.097 9.494 760 HD22 LEU 91 HD22 LEU 91 8.565 4.468 7.852 761 HD23 LEU 91 HD23 LEU 91 8.530 3.361 9.224 762 H SER 92 H SER 92 2.684 2.948 10.970 763 HA SER 92 HA SER 92 1.610 3.896 8.408 764 HB2 SER 92 HB2 SER 92 0.273 2.483 10.737 765 HB3 SER 92 HB3 SER 92 -0.585 3.086 9.319 766 HG SER 92 HG SER 92 0.747 1.721 8.059 767 HA PRO 93 HA PRO 93 0.723 7.883 10.259 768 HB2 PRO 93 HB2 PRO 93 -1.204 8.842 8.640 769 HB3 PRO 93 HB3 PRO 93 0.469 8.630 8.082 770 HG2 PRO 93 HG2 PRO 93 -1.891 6.848 7.661 771 HG3 PRO 93 HG3 PRO 93 -0.674 7.384 6.489 772 HD2 PRO 93 HD2 PRO 93 -0.553 4.944 7.662 773 HD3 PRO 93 HD3 PRO 93 0.913 5.854 7.215 774 H GLU 94 H GLU 94 -0.662 8.836 11.740 775 HA GLU 94 HA GLU 94 -3.259 7.507 12.241 776 HB2 GLU 94 HB2 GLU 94 -1.307 8.647 14.259 777 HB3 GLU 94 HB3 GLU 94 -2.941 8.101 14.643 778 HG2 GLU 94 HG2 GLU 94 -0.870 6.339 13.311 779 HG3 GLU 94 HG3 GLU 94 -1.124 6.382 15.054 780 H ILE 95 H ILE 95 -4.976 8.798 12.161 781 HA ILE 95 HA ILE 95 -4.562 11.647 11.692 782 HB ILE 95 HB ILE 95 -7.096 9.968 11.467 783 HG12 ILE 95 HG12 ILE 95 -5.353 11.103 9.244 784 HG13 ILE 95 HG13 ILE 95 -5.150 9.464 9.861 785 HG21 ILE 95 HG21 ILE 95 -7.966 11.929 10.186 786 HG22 ILE 95 HG22 ILE 95 -6.489 12.816 10.565 787 HG23 ILE 95 HG23 ILE 95 -7.597 12.357 11.858 788 HD11 ILE 95 HD11 ILE 95 -6.646 9.725 7.785 789 HD12 ILE 95 HD12 ILE 95 -7.822 10.479 8.860 790 HD13 ILE 95 HD13 ILE 95 -7.326 8.808 9.130 791 H ASP 96 H ASP 96 -4.809 13.130 13.171 792 HA ASP 96 HA ASP 96 -6.839 13.164 15.159 793 HB2 ASP 96 HB2 ASP 96 -4.914 11.473 15.939 794 HB3 ASP 96 HB3 ASP 96 -4.132 12.974 16.431 795 H ALA 97 H ALA 97 -5.321 14.872 17.029 796 HA ALA 97 HA ALA 97 -5.525 17.381 15.751 797 HB1 ALA 97 HB1 ALA 97 -3.722 16.834 18.110 798 HB2 ALA 97 HB2 ALA 97 -5.477 16.871 18.272 799 HB3 ALA 97 HB3 ALA 97 -4.612 18.311 17.734 800 H ALA 98 H ALA 98 -2.820 15.173 16.260 801 HA ALA 98 HA ALA 98 -1.304 16.587 14.182 802 HB1 ALA 98 HB1 ALA 98 -0.245 15.696 16.870 803 HB2 ALA 98 HB2 ALA 98 -0.238 17.328 16.201 804 HB3 ALA 98 HB3 ALA 98 0.794 16.081 15.498 805 H VAL 99 H VAL 99 -0.352 15.226 12.730 806 HA VAL 99 HA VAL 99 -1.190 12.529 12.588 807 HB VAL 99 HB VAL 99 1.081 13.907 11.101 808 HG11 VAL 99 HG11 VAL 99 -0.340 11.269 10.677 809 HG12 VAL 99 HG12 VAL 99 1.393 11.574 10.772 810 HG13 VAL 99 HG13 VAL 99 0.486 12.096 9.355 811 HG21 VAL 99 HG21 VAL 99 -1.134 15.005 10.819 812 HG22 VAL 99 HG22 VAL 99 -1.824 13.461 10.320 813 HG23 VAL 99 HG23 VAL 99 -0.596 14.240 9.322 814 H LYS 100 H LYS 100 -0.352 10.699 13.381 815 HA LYS 100 HA LYS 100 2.360 10.778 14.582 816 HB2 LYS 100 HB2 LYS 100 0.511 10.962 16.276 817 HB3 LYS 100 HB3 LYS 100 -0.015 9.354 15.790 818 HG2 LYS 100 HG2 LYS 100 2.228 8.450 16.352 819 HG3 LYS 100 HG3 LYS 100 2.737 10.053 16.875 820 HD2 LYS 100 HD2 LYS 100 0.352 8.618 18.079 821 HD3 LYS 100 HD3 LYS 100 1.980 8.484 18.740 822 HE2 LYS 100 HE2 LYS 100 0.470 11.094 18.368 823 HE3 LYS 100 HE3 LYS 100 0.655 10.239 19.899 824 HZ1 LYS 100 HZ1 LYS 100 2.405 11.666 20.017 825 HZ2 LYS 100 HZ2 LYS 100 2.647 11.706 18.335 826 HZ3 LYS 100 HZ3 LYS 100 3.170 10.368 19.240 827 H THR 101 H THR 101 3.661 9.108 14.130 828 HA THR 101 HA THR 101 2.818 7.087 12.234 829 HB THR 101 HB THR 101 5.146 6.303 12.397 830 HG1 THR 101 HG1 THR 101 6.183 6.680 14.152 831 HG21 THR 101 HG21 THR 101 6.195 8.781 12.086 832 HG22 THR 101 HG22 THR 101 4.493 9.168 11.865 833 HG23 THR 101 HG23 THR 101 5.271 7.962 10.837 834 H ALA 102 H ALA 102 2.783 4.868 12.578 835 HA ALA 102 HA ALA 102 3.094 3.783 15.254 836 HB1 ALA 102 HB1 ALA 102 0.418 3.824 13.845 837 HB2 ALA 102 HB2 ALA 102 0.805 4.488 15.434 838 HB3 ALA 102 HB3 ALA 102 0.798 2.742 15.185 839 H LEU 103 H LEU 103 4.395 2.138 14.842 840 HA LEU 103 HA LEU 103 4.570 0.808 12.349 841 HB2 LEU 103 HB2 LEU 103 5.617 0.078 15.090 842 HB3 LEU 103 HB3 LEU 103 5.989 -0.828 13.628 843 HG LEU 103 HG LEU 103 6.515 2.150 13.809 844 HD11 LEU 103 HD11 LEU 103 8.846 1.590 14.378 845 HD12 LEU 103 HD12 LEU 103 8.426 -0.120 14.457 846 HD13 LEU 103 HD13 LEU 103 7.751 1.008 15.632 847 HD21 LEU 103 HD21 LEU 103 6.464 0.868 11.580 848 HD22 LEU 103 HD22 LEU 103 7.887 0.011 12.150 849 HD23 LEU 103 HD23 LEU 103 7.942 1.758 11.923 850 H GLN 104 H GLN 104 3.749 -1.106 11.627 851 HA GLN 104 HA GLN 104 1.846 -2.521 13.395 852 HB2 GLN 104 HB2 GLN 104 0.487 -3.052 11.412 853 HB3 GLN 104 HB3 GLN 104 0.648 -1.310 11.600 854 HG2 GLN 104 HG2 GLN 104 2.616 -1.460 9.959 855 HG3 GLN 104 HG3 GLN 104 2.084 -3.102 9.628 856 HE21 GLN 104 HE21 GLN 104 1.763 -2.107 7.346 857 HE22 GLN 104 HE22 GLN 104 0.274 -1.352 7.028 858 H ASP 105 H ASP 105 1.889 -4.743 13.375 859 HA ASP 105 HA ASP 105 4.416 -5.892 12.481 860 HB2 ASP 105 HB2 ASP 105 3.663 -6.214 14.812 861 HB3 ASP 105 HB3 ASP 105 2.256 -7.095 14.221 862 H VAL 106 H VAL 106 4.617 -7.008 10.654 863 HA VAL 106 HA VAL 106 2.345 -7.725 9.067 864 HB VAL 106 HB VAL 106 5.259 -8.598 8.808 865 HG11 VAL 106 HG11 VAL 106 3.054 -8.561 6.716 866 HG12 VAL 106 HG12 VAL 106 3.611 -10.013 7.550 867 HG13 VAL 106 HG13 VAL 106 4.710 -9.128 6.494 868 HG21 VAL 106 HG21 VAL 106 3.802 -6.403 7.297 869 HG22 VAL 106 HG22 VAL 106 5.532 -6.740 7.299 870 HG23 VAL 106 HG23 VAL 106 4.761 -6.088 8.743 871 H GLU 107 H GLU 107 1.001 -9.344 9.608 872 HA GLU 107 HA GLU 107 1.725 -11.506 11.340 873 HB2 GLU 107 HB2 GLU 107 -0.597 -10.592 11.133 874 HB3 GLU 107 HB3 GLU 107 -0.684 -11.280 9.510 875 HG2 GLU 107 HG2 GLU 107 -0.293 -13.538 10.446 876 HG3 GLU 107 HG3 GLU 107 -0.215 -12.851 12.069 877 H SER 108 H SER 108 1.219 -11.158 7.851 878 HA SER 108 HA SER 108 3.128 -13.074 7.064 879 HB2 SER 108 HB2 SER 108 1.260 -14.676 6.086 880 HB3 SER 108 HB3 SER 108 1.889 -14.914 7.718 881 HG SER 108 HG SER 108 -0.041 -14.442 8.431 882 H ILE 109 H ILE 109 2.750 -13.731 4.688 883 HA ILE 109 HA ILE 109 1.307 -11.592 3.229 884 HB ILE 109 HB ILE 109 3.940 -12.897 2.413 885 HG12 ILE 109 HG12 ILE 109 3.383 -9.981 3.070 886 HG13 ILE 109 HG13 ILE 109 3.955 -11.116 4.291 887 HG21 ILE 109 HG21 ILE 109 3.767 -10.978 0.636 888 HG22 ILE 109 HG22 ILE 109 2.051 -10.967 1.032 889 HG23 ILE 109 HG23 ILE 109 2.794 -12.427 0.383 890 HD11 ILE 109 HD11 ILE 109 5.959 -11.585 2.925 891 HD12 ILE 109 HD12 ILE 109 5.837 -9.861 3.273 892 HD13 ILE 109 HD13 ILE 109 5.379 -10.474 1.684 893 H GLU 110 H GLU 110 -0.293 -12.390 1.920 894 HA GLU 110 HA GLU 110 -0.180 -15.284 1.213 895 HB2 GLU 110 HB2 GLU 110 -2.453 -13.585 2.216 896 HB3 GLU 110 HB3 GLU 110 -2.778 -15.015 1.240 897 HG2 GLU 110 HG2 GLU 110 -1.053 -15.067 3.730 898 HG3 GLU 110 HG3 GLU 110 -2.781 -15.415 3.745 899 H LYS 111 H LYS 111 -0.100 -15.708 -0.874 900 HA LYS 111 HA LYS 111 -0.425 -13.681 -2.859 901 HB2 LYS 111 HB2 LYS 111 -0.024 -16.665 -3.023 902 HB3 LYS 111 HB3 LYS 111 -0.228 -15.661 -4.459 903 HG2 LYS 111 HG2 LYS 111 1.692 -14.286 -3.792 904 HG3 LYS 111 HG3 LYS 111 1.901 -15.248 -2.334 905 HD2 LYS 111 HD2 LYS 111 3.491 -16.082 -3.942 906 HD3 LYS 111 HD3 LYS 111 2.204 -17.270 -3.847 907 HE2 LYS 111 HE2 LYS 111 1.183 -16.411 -5.885 908 HE3 LYS 111 HE3 LYS 111 2.363 -15.107 -5.965 909 HZ1 LYS 111 HZ1 LYS 111 4.014 -16.513 -6.611 910 HZ2 LYS 111 HZ2 LYS 111 2.689 -17.330 -7.291 911 HZ3 LYS 111 HZ3 LYS 111 3.353 -17.857 -5.819 912 H LEU 112 H LEU 112 -2.038 -13.205 -4.177 913 HA LEU 112 HA LEU 112 -4.567 -14.723 -3.931 914 HB2 LEU 112 HB2 LEU 112 -4.000 -11.814 -3.923 915 HB3 LEU 112 HB3 LEU 112 -5.314 -12.276 -5.000 916 HG LEU 112 HG LEU 112 -6.287 -13.583 -3.018 917 HD11 LEU 112 HD11 LEU 112 -4.454 -11.800 -1.406 918 HD12 LEU 112 HD12 LEU 112 -4.076 -13.486 -1.747 919 HD13 LEU 112 HD13 LEU 112 -5.515 -13.077 -0.814 920 HD21 LEU 112 HD21 LEU 112 -6.034 -10.598 -2.554 921 HD22 LEU 112 HD22 LEU 112 -7.404 -11.637 -2.162 922 HD23 LEU 112 HD23 LEU 112 -7.021 -11.281 -3.847 923 H GLY 113 H GLY 113 -2.021 -13.861 -6.037 924 HA2 GLY 113 HA2 GLY 113 -1.640 -14.638 -8.183 925 HA3 GLY 113 HA3 GLY 113 -3.295 -15.196 -8.244 926 H VAL 114 H VAL 114 -3.118 -14.320 -10.458 927 HA VAL 114 HA VAL 114 -2.837 -11.573 -10.975 928 HB VAL 114 HB VAL 114 -3.964 -12.043 -13.148 929 HG11 VAL 114 HG11 VAL 114 -1.543 -12.354 -12.685 930 HG12 VAL 114 HG12 VAL 114 -2.154 -13.400 -13.973 931 HG13 VAL 114 HG13 VAL 114 -1.861 -14.057 -12.357 932 HG21 VAL 114 HG21 VAL 114 -5.516 -13.811 -12.345 933 HG22 VAL 114 HG22 VAL 114 -4.141 -14.861 -12.014 934 HG23 VAL 114 HG23 VAL 114 -4.516 -14.401 -13.674 935 H ASN 115 H ASN 115 -4.156 -9.936 -11.190 936 HA ASN 115 HA ASN 115 -7.020 -10.154 -10.823 937 HB2 ASN 115 HB2 ASN 115 -5.117 -9.171 -8.757 938 HB3 ASN 115 HB3 ASN 115 -6.725 -8.437 -8.864 939 HD21 ASN 115 HD21 ASN 115 -5.656 -10.137 -6.654 940 HD22 ASN 115 HD22 ASN 115 -6.680 -11.496 -6.562 941 H HIS 116 H HIS 116 -8.006 -7.922 -10.875 942 HA HIS 116 HA HIS 116 -6.665 -6.319 -12.898 943 HB2 HIS 116 HB2 HIS 116 -9.361 -6.094 -11.541 944 HB3 HIS 116 HB3 HIS 116 -8.762 -4.893 -12.683 945 HD2 HIS 116 HD2 HIS 116 -7.517 -6.996 -14.959 946 HE1 HIS 116 HE1 HIS 116 -11.442 -8.546 -15.071 947 HE2 HIS 116 HE2 HIS 116 -9.229 -8.429 -16.310 948 H VAL 117 H VAL 117 -5.087 -5.060 -12.225 949 HA VAL 117 HA VAL 117 -5.261 -3.795 -9.578 950 HB VAL 117 HB VAL 117 -2.757 -3.179 -10.160 951 HG11 VAL 117 HG11 VAL 117 -3.839 -5.834 -9.273 952 HG12 VAL 117 HG12 VAL 117 -3.092 -4.542 -8.328 953 HG13 VAL 117 HG13 VAL 117 -2.093 -5.564 -9.359 954 HG21 VAL 117 HG21 VAL 117 -2.956 -5.726 -11.789 955 HG22 VAL 117 HG22 VAL 117 -1.631 -4.559 -11.733 956 HG23 VAL 117 HG23 VAL 117 -3.137 -4.154 -12.558 957 H TYR 118 H TYR 118 -5.206 -1.724 -9.210 958 HA TYR 118 HA TYR 118 -4.883 0.191 -11.394 959 HB2 TYR 118 HB2 TYR 118 -7.133 0.359 -9.345 960 HB3 TYR 118 HB3 TYR 118 -6.801 1.456 -10.682 961 HD1 TYR 118 HD1 TYR 118 -8.065 -1.848 -9.762 962 HD2 TYR 118 HD2 TYR 118 -7.318 0.840 -12.998 963 HE1 TYR 118 HE1 TYR 118 -9.463 -3.265 -11.229 964 HE2 TYR 118 HE2 TYR 118 -8.711 -0.568 -14.498 965 HH TYR 118 HH TYR 118 -9.467 -3.595 -13.994 966 H ASP 119 H ASP 119 -4.246 2.272 -10.592 967 HA ASP 119 HA ASP 119 -3.703 2.682 -7.801 968 HB2 ASP 119 HB2 ASP 119 -1.855 1.120 -8.701 969 HB3 ASP 119 HB3 ASP 119 -1.266 2.546 -9.566 970 H ILE 120 H ILE 120 -2.310 4.747 -7.531 971 HA ILE 120 HA ILE 120 -2.818 6.660 -9.709 972 HB ILE 120 HB ILE 120 -4.676 7.225 -8.407 973 HG12 ILE 120 HG12 ILE 120 -4.045 9.327 -7.013 974 HG13 ILE 120 HG13 ILE 120 -2.407 9.031 -7.452 975 HG21 ILE 120 HG21 ILE 120 -4.462 5.819 -6.531 976 HG22 ILE 120 HG22 ILE 120 -4.593 7.452 -5.884 977 HG23 ILE 120 HG23 ILE 120 -3.018 6.654 -5.953 978 HD11 ILE 120 HD11 ILE 120 -4.700 9.825 -9.194 979 HD12 ILE 120 HD12 ILE 120 -3.411 8.857 -9.898 980 HD13 ILE 120 HD13 ILE 120 -3.044 10.422 -9.181 981 H GLU 121 H GLU 121 -1.537 8.518 -9.752 982 HA GLU 121 HA GLU 121 1.010 8.215 -8.378 983 HB2 GLU 121 HB2 GLU 121 0.330 9.685 -10.927 984 HB3 GLU 121 HB3 GLU 121 1.932 9.640 -10.204 985 HG2 GLU 121 HG2 GLU 121 1.917 7.159 -10.403 986 HG3 GLU 121 HG3 GLU 121 0.349 7.251 -11.196 987 H VAL 122 H VAL 122 2.128 10.077 -7.588 988 HA VAL 122 HA VAL 122 0.317 12.303 -6.860 989 HB VAL 122 HB VAL 122 1.654 12.585 -4.801 990 HG11 VAL 122 HG11 VAL 122 -0.375 11.216 -4.733 991 HG12 VAL 122 HG12 VAL 122 0.844 10.551 -3.646 992 HG13 VAL 122 HG13 VAL 122 0.551 9.794 -5.212 993 HG21 VAL 122 HG21 VAL 122 3.731 11.532 -5.780 994 HG22 VAL 122 HG22 VAL 122 2.972 9.955 -5.546 995 HG23 VAL 122 HG23 VAL 122 3.334 10.980 -4.153 996 H GLU 123 H GLU 123 1.184 14.365 -6.743 997 HA GLU 123 HA GLU 123 2.928 14.921 -8.909 998 HB2 GLU 123 HB2 GLU 123 2.633 17.380 -8.220 999 HB3 GLU 123 HB3 GLU 123 1.229 16.494 -8.781 1000 HG2 GLU 123 HG2 GLU 123 0.404 17.564 -6.928 1001 HG3 GLU 123 HG3 GLU 123 0.831 16.029 -6.208 1002 H HIS 124 H HIS 124 3.758 14.786 -5.464 1003 HA HIS 124 HA HIS 124 6.384 16.003 -6.219 1004 HB2 HIS 124 HB2 HIS 124 4.687 16.390 -3.790 1005 HB3 HIS 124 HB3 HIS 124 6.434 16.453 -3.597 1006 HD2 HIS 124 HD2 HIS 124 4.426 18.025 -6.663 1007 HE1 HIS 124 HE1 HIS 124 6.576 21.093 -4.723 1008 HE2 HIS 124 HE2 HIS 124 5.100 20.542 -6.714 1009 H ASN 125 H ASN 125 5.240 13.895 -3.524 1010 HA ASN 125 HA ASN 125 7.916 12.836 -3.312 1011 HB2 ASN 125 HB2 ASN 125 6.471 13.315 -1.344 1012 HB3 ASN 125 HB3 ASN 125 5.469 11.928 -1.798 1013 HD21 ASN 125 HD21 ASN 125 8.897 12.770 -1.069 1014 HD22 ASN 125 HD22 ASN 125 9.273 11.263 -0.385 1015 H HIS 126 H HIS 126 5.675 12.097 -5.514 1016 HA HIS 126 HA HIS 126 5.043 10.214 -6.717 1017 HB2 HIS 126 HB2 HIS 126 6.996 9.019 -7.648 1018 HB3 HIS 126 HB3 HIS 126 7.227 10.765 -7.650 1019 HD2 HIS 126 HD2 HIS 126 8.827 7.588 -6.069 1020 HE1 HIS 126 HE1 HIS 126 10.886 10.931 -4.518 1021 HE2 HIS 126 HE2 HIS 126 10.885 8.398 -4.678 1022 H ASN 127 H ASN 127 4.834 9.804 -3.793 1023 HA ASN 127 HA ASN 127 4.746 6.867 -3.837 1024 HB2 ASN 127 HB2 ASN 127 5.869 8.490 -1.548 1025 HB3 ASN 127 HB3 ASN 127 5.597 6.752 -1.535 1026 HD21 ASN 127 HD21 ASN 127 8.170 8.523 -1.500 1027 HD22 ASN 127 HD22 ASN 127 9.139 7.812 -2.699 1028 H PHE 128 H PHE 128 3.251 5.974 -2.232 1029 HA PHE 128 HA PHE 128 1.430 7.844 -0.943 1030 HB2 PHE 128 HB2 PHE 128 -0.591 7.045 -2.066 1031 HB3 PHE 128 HB3 PHE 128 0.526 7.730 -3.245 1032 HD1 PHE 128 HD1 PHE 128 -0.958 4.643 -1.922 1033 HD2 PHE 128 HD2 PHE 128 1.693 6.298 -4.863 1034 HE1 PHE 128 HE1 PHE 128 -0.959 2.489 -3.132 1035 HE2 PHE 128 HE2 PHE 128 1.685 4.131 -6.077 1036 HZ PHE 128 HZ PHE 128 0.364 2.232 -5.207 1037 H VAL 129 H VAL 129 -0.311 6.694 0.284 1038 HA VAL 129 HA VAL 129 0.721 4.128 1.343 1039 HB VAL 129 HB VAL 129 -1.023 6.205 2.718 1040 HG11 VAL 129 HG11 VAL 129 -0.684 4.861 4.744 1041 HG12 VAL 129 HG12 VAL 129 0.291 3.705 3.838 1042 HG13 VAL 129 HG13 VAL 129 -1.430 3.872 3.487 1043 HG21 VAL 129 HG21 VAL 129 1.925 5.518 2.967 1044 HG22 VAL 129 HG22 VAL 129 1.054 6.467 4.173 1045 HG23 VAL 129 HG23 VAL 129 1.222 7.075 2.526 1046 H ALA 130 H ALA 130 -0.422 2.405 0.779 1047 HA ALA 130 HA ALA 130 -3.245 2.699 0.029 1048 HB1 ALA 130 HB1 ALA 130 -2.067 1.690 -1.751 1049 HB2 ALA 130 HB2 ALA 130 -2.866 0.352 -0.924 1050 HB3 ALA 130 HB3 ALA 130 -1.148 0.653 -0.660 1051 H ASN 131 H ASN 131 -4.682 2.142 1.524 1052 HA ASN 131 HA ASN 131 -5.607 1.256 3.424 1053 HB2 ASN 131 HB2 ASN 131 -5.538 -0.685 1.773 1054 HB3 ASN 131 HB3 ASN 131 -4.126 -1.251 2.661 1055 HD21 ASN 131 HD21 ASN 131 -6.739 -2.640 2.495 1056 HD22 ASN 131 HD22 ASN 131 -7.322 -2.748 4.084 1057 H GLY 132 H GLY 132 -3.257 2.699 3.974 1058 HA2 GLY 132 HA2 GLY 132 -2.081 3.152 5.925 1059 HA3 GLY 132 HA3 GLY 132 -2.547 1.577 6.544 1060 H LEU 133 H LEU 133 -1.242 1.058 3.506 1061 HA LEU 133 HA LEU 133 1.418 0.448 4.649 1062 HB2 LEU 133 HB2 LEU 133 0.130 -1.516 3.802 1063 HB3 LEU 133 HB3 LEU 133 0.062 -0.768 2.210 1064 HG LEU 133 HG LEU 133 2.618 -0.719 2.270 1065 HD11 LEU 133 HD11 LEU 133 2.434 -2.907 4.337 1066 HD12 LEU 133 HD12 LEU 133 2.549 -1.236 4.856 1067 HD13 LEU 133 HD13 LEU 133 3.820 -1.932 3.861 1068 HD21 LEU 133 HD21 LEU 133 1.188 -2.390 1.009 1069 HD22 LEU 133 HD22 LEU 133 1.382 -3.488 2.376 1070 HD23 LEU 133 HD23 LEU 133 2.792 -2.984 1.443 1071 H LEU 134 H LEU 134 3.019 1.780 4.044 1072 HA LEU 134 HA LEU 134 2.691 3.605 1.836 1073 HB2 LEU 134 HB2 LEU 134 3.796 4.486 3.772 1074 HB3 LEU 134 HB3 LEU 134 4.951 3.160 3.808 1075 HG LEU 134 HG LEU 134 5.952 3.978 1.677 1076 HD11 LEU 134 HD11 LEU 134 4.204 5.045 0.500 1077 HD12 LEU 134 HD12 LEU 134 5.236 6.387 0.987 1078 HD13 LEU 134 HD13 LEU 134 3.752 6.045 1.882 1079 HD21 LEU 134 HD21 LEU 134 7.117 5.837 2.626 1080 HD22 LEU 134 HD22 LEU 134 6.628 4.854 4.007 1081 HD23 LEU 134 HD23 LEU 134 5.721 6.301 3.594 1082 H VAL 135 H VAL 135 3.267 3.354 -0.186 1083 HA VAL 135 HA VAL 135 5.277 1.304 -0.874 1084 HB VAL 135 HB VAL 135 3.941 0.684 -2.852 1085 HG11 VAL 135 HG11 VAL 135 3.688 -0.419 -0.529 1086 HG12 VAL 135 HG12 VAL 135 2.413 -0.719 -1.708 1087 HG13 VAL 135 HG13 VAL 135 2.161 0.456 -0.418 1088 HG21 VAL 135 HG21 VAL 135 2.682 2.736 -3.225 1089 HG22 VAL 135 HG22 VAL 135 1.913 2.601 -1.644 1090 HG23 VAL 135 HG23 VAL 135 1.529 1.437 -2.913 1091 H HIS 136 H HIS 136 6.389 1.606 -2.824 1092 HA HIS 136 HA HIS 136 6.816 4.419 -3.532 1093 HB2 HIS 136 HB2 HIS 136 8.787 3.078 -2.876 1094 HB3 HIS 136 HB3 HIS 136 8.447 1.932 -4.162 1095 HD2 HIS 136 HD2 HIS 136 9.639 2.622 -6.578 1096 HE1 HIS 136 HE1 HIS 136 10.622 6.615 -5.626 1097 HE2 HIS 136 HE2 HIS 136 10.851 4.790 -7.378 1098 H ASN 137 H ASN 137 6.122 5.257 -5.396 1099 HA ASN 137 HA ASN 137 5.141 3.438 -7.512 1100 HB2 ASN 137 HB2 ASN 137 3.381 4.836 -6.596 1101 HB3 ASN 137 HB3 ASN 137 4.350 6.280 -6.836 1102 HD21 ASN 137 HD21 ASN 137 2.611 3.700 -8.599 1103 HD22 ASN 137 HD22 ASN 137 2.457 4.572 -10.046 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 2.090 -0.227 -5.933 2 H2 GLU 1 HT2 GLU 1 3.658 0.419 -6.031 3 H3 GLU 1 HT3 GLU 1 3.283 -1.032 -6.829 4 HA GLU 1 HA GLU 1 2.550 1.731 -7.539 5 HB2 GLU 1 HB2 GLU 1 3.913 -0.631 -8.784 6 HB3 GLU 1 HB3 GLU 1 2.988 0.407 -9.864 7 HG2 GLU 1 HG2 GLU 1 4.256 2.378 -8.870 8 HG3 GLU 1 HG3 GLU 1 5.309 1.201 -8.083 9 H ALA 2 H ALA 2 1.195 -1.482 -7.243 10 HA ALA 2 HA ALA 2 -1.282 -0.524 -8.535 11 HB1 ALA 2 HB1 ALA 2 -0.375 -3.372 -8.831 12 HB2 ALA 2 HB2 ALA 2 0.142 -2.130 -9.971 13 HB3 ALA 2 HB3 ALA 2 -1.574 -2.487 -9.774 14 H LEU 3 H LEU 3 -3.118 -0.929 -7.434 15 HA LEU 3 HA LEU 3 -2.959 -2.753 -5.103 16 HB2 LEU 3 HB2 LEU 3 -4.154 -0.003 -5.410 17 HB3 LEU 3 HB3 LEU 3 -4.916 -1.139 -4.303 18 HG LEU 3 HG LEU 3 -3.312 0.316 -3.111 19 HD11 LEU 3 HD11 LEU 3 -2.178 -1.367 -1.860 20 HD12 LEU 3 HD12 LEU 3 -2.191 -2.478 -3.227 21 HD13 LEU 3 HD13 LEU 3 -3.694 -2.074 -2.419 22 HD21 LEU 3 HD21 LEU 3 -1.061 -1.014 -4.640 23 HD22 LEU 3 HD22 LEU 3 -0.983 0.402 -3.596 24 HD23 LEU 3 HD23 LEU 3 -1.760 0.515 -5.177 25 H THR 4 H THR 4 -4.642 -4.211 -4.820 26 HA THR 4 HA THR 4 -6.153 -4.897 -7.124 27 HB THR 4 HB THR 4 -7.354 -6.484 -5.686 28 HG1 THR 4 HG1 THR 4 -7.242 -6.351 -3.542 29 HG21 THR 4 HG21 THR 4 -4.467 -6.427 -4.815 30 HG22 THR 4 HG22 THR 4 -4.933 -6.836 -6.465 31 HG23 THR 4 HG23 THR 4 -5.487 -7.832 -5.121 32 H GLY 5 H GLY 5 -8.485 -4.952 -7.351 33 HA2 GLY 5 HA2 GLY 5 -9.593 -2.446 -7.304 34 HA3 GLY 5 HA3 GLY 5 -10.507 -3.919 -7.546 35 H ASP 6 H ASP 6 -10.137 -5.093 -5.008 36 HA ASP 6 HA ASP 6 -12.117 -3.628 -3.504 37 HB2 ASP 6 HB2 ASP 6 -10.596 -6.138 -2.780 38 HB3 ASP 6 HB3 ASP 6 -11.962 -5.459 -1.884 39 H ALA 7 H ALA 7 -8.702 -3.558 -3.583 40 HA ALA 7 HA ALA 7 -8.147 -2.915 -0.860 41 HB1 ALA 7 HB1 ALA 7 -6.443 -3.709 -2.512 42 HB2 ALA 7 HB2 ALA 7 -5.969 -2.238 -1.660 43 HB3 ALA 7 HB3 ALA 7 -6.564 -2.145 -3.319 44 H LEU 8 H LEU 8 -7.640 -0.847 0.028 45 HA LEU 8 HA LEU 8 -8.752 1.447 -1.459 46 HB2 LEU 8 HB2 LEU 8 -9.661 2.341 0.694 47 HB3 LEU 8 HB3 LEU 8 -10.446 0.872 0.123 48 HG LEU 8 HG LEU 8 -8.651 -0.338 1.684 49 HD11 LEU 8 HD11 LEU 8 -8.455 1.239 3.804 50 HD12 LEU 8 HD12 LEU 8 -8.616 2.526 2.618 51 HD13 LEU 8 HD13 LEU 8 -7.292 1.372 2.492 52 HD21 LEU 8 HD21 LEU 8 -10.279 -0.230 3.565 53 HD22 LEU 8 HD22 LEU 8 -11.100 -0.437 2.019 54 HD23 LEU 8 HD23 LEU 8 -11.068 1.146 2.795 55 H ILE 9 H ILE 9 -7.858 3.434 -1.143 56 HA ILE 9 HA ILE 9 -5.220 3.469 0.177 57 HB ILE 9 HB ILE 9 -5.991 4.876 -2.410 58 HG12 ILE 9 HG12 ILE 9 -4.080 2.522 -2.040 59 HG13 ILE 9 HG13 ILE 9 -5.762 2.309 -2.512 60 HG21 ILE 9 HG21 ILE 9 -4.217 5.955 -0.919 61 HG22 ILE 9 HG22 ILE 9 -3.664 5.531 -2.538 62 HG23 ILE 9 HG23 ILE 9 -3.239 4.507 -1.168 63 HD11 ILE 9 HD11 ILE 9 -3.933 4.154 -4.057 64 HD12 ILE 9 HD12 ILE 9 -5.446 3.417 -4.584 65 HD13 ILE 9 HD13 ILE 9 -3.998 2.426 -4.409 66 H LEU 10 H LEU 10 -4.668 5.257 1.340 67 HA LEU 10 HA LEU 10 -6.672 6.926 2.408 68 HB2 LEU 10 HB2 LEU 10 -3.660 7.135 2.344 69 HB3 LEU 10 HB3 LEU 10 -4.674 8.307 3.177 70 HG LEU 10 HG LEU 10 -4.866 5.334 3.717 71 HD11 LEU 10 HD11 LEU 10 -2.549 6.348 4.167 72 HD12 LEU 10 HD12 LEU 10 -3.344 5.591 5.546 73 HD13 LEU 10 HD13 LEU 10 -3.333 7.346 5.391 74 HD21 LEU 10 HD21 LEU 10 -6.799 6.504 4.531 75 HD22 LEU 10 HD22 LEU 10 -5.836 7.875 5.072 76 HD23 LEU 10 HD23 LEU 10 -5.754 6.350 5.943 77 H SER 11 H SER 11 -7.402 8.922 1.850 78 HA SER 11 HA SER 11 -6.101 10.357 -0.332 79 HB2 SER 11 HB2 SER 11 -8.213 10.753 -1.441 80 HB3 SER 11 HB3 SER 11 -7.909 9.029 -1.358 81 HG SER 11 HG SER 11 -9.738 8.905 -0.319 82 H ASP 12 H ASP 12 -7.560 12.534 -0.593 83 HA ASP 12 HA ASP 12 -6.952 14.038 1.679 84 HB2 ASP 12 HB2 ASP 12 -7.160 15.022 -0.541 85 HB3 ASP 12 HB3 ASP 12 -8.883 14.715 -0.565 86 H ARG 13 H ARG 13 -10.021 12.597 0.636 87 HA ARG 13 HA ARG 13 -11.544 13.657 2.833 88 HB2 ARG 13 HB2 ARG 13 -12.405 12.771 0.555 89 HB3 ARG 13 HB3 ARG 13 -12.272 11.177 1.294 90 HG2 ARG 13 HG2 ARG 13 -13.639 12.768 3.243 91 HG3 ARG 13 HG3 ARG 13 -14.320 13.251 1.696 92 HD2 ARG 13 HD2 ARG 13 -15.644 11.430 2.509 93 HD3 ARG 13 HD3 ARG 13 -14.664 10.795 1.189 94 HE ARG 13 HE ARG 13 -13.503 9.476 2.735 95 HH11 ARG 13 HH11 ARG 13 -15.392 11.880 4.468 96 HH12 ARG 13 HH12 ARG 13 -15.107 11.161 6.018 97 HH21 ARG 13 HH21 ARG 13 -13.176 8.559 4.773 98 HH22 ARG 13 HH22 ARG 13 -13.860 9.292 6.187 99 H GLY 14 H GLY 14 -9.684 10.713 2.241 100 HA2 GLY 14 HA2 GLY 14 -8.812 9.886 4.568 101 HA3 GLY 14 HA3 GLY 14 -10.522 9.539 4.809 102 H TRP 15 H TRP 15 -9.930 7.277 5.033 103 HA TRP 15 HA TRP 15 -8.665 5.752 2.985 104 HB2 TRP 15 HB2 TRP 15 -10.319 5.152 5.414 105 HB3 TRP 15 HB3 TRP 15 -10.192 3.881 4.209 106 HD1 TRP 15 HD1 TRP 15 -7.303 3.799 3.350 107 HE1 TRP 15 HE1 TRP 15 -5.368 3.348 4.988 108 HE3 TRP 15 HE3 TRP 15 -9.540 5.126 7.751 109 HZ2 TRP 15 HZ2 TRP 15 -4.835 3.528 7.790 110 HZ3 TRP 15 HZ3 TRP 15 -8.292 4.975 9.889 111 HH2 TRP 15 HH2 TRP 15 -5.943 4.177 9.912 112 H LEU 16 H LEU 16 -9.422 5.572 0.957 113 HA LEU 16 HA LEU 16 -12.276 4.925 0.567 114 HB2 LEU 16 HB2 LEU 16 -10.859 7.294 -0.438 115 HB3 LEU 16 HB3 LEU 16 -11.554 6.366 -1.754 116 HG LEU 16 HG LEU 16 -13.154 8.050 -1.042 117 HD11 LEU 16 HD11 LEU 16 -13.843 5.448 -1.392 118 HD12 LEU 16 HD12 LEU 16 -15.014 6.728 -1.114 119 HD13 LEU 16 HD13 LEU 16 -14.504 5.701 0.221 120 HD21 LEU 16 HD21 LEU 16 -12.138 8.060 1.388 121 HD22 LEU 16 HD22 LEU 16 -13.378 6.848 1.716 122 HD23 LEU 16 HD23 LEU 16 -13.841 8.449 1.155 123 H ARG 17 H ARG 17 -12.740 3.619 -1.285 124 HA ARG 17 HA ARG 17 -10.805 1.656 -1.832 125 HB2 ARG 17 HB2 ARG 17 -13.216 1.190 -2.006 126 HB3 ARG 17 HB3 ARG 17 -13.331 2.239 -3.408 127 HG2 ARG 17 HG2 ARG 17 -11.908 0.795 -4.712 128 HG3 ARG 17 HG3 ARG 17 -11.490 -0.168 -3.294 129 HD2 ARG 17 HD2 ARG 17 -14.323 0.100 -4.322 130 HD3 ARG 17 HD3 ARG 17 -13.239 -1.188 -4.836 131 HE ARG 17 HE ARG 17 -13.217 -1.230 -2.044 132 HH11 ARG 17 HH11 ARG 17 -15.607 -1.679 -4.584 133 HH12 ARG 17 HH12 ARG 17 -16.582 -2.755 -3.641 134 HH21 ARG 17 HH21 ARG 17 -14.528 -2.630 -0.848 135 HH22 ARG 17 HH22 ARG 17 -15.973 -3.289 -1.539 136 H ILE 18 H ILE 18 -9.680 1.134 -3.651 137 HA ILE 18 HA ILE 18 -8.001 2.954 -4.693 138 HB ILE 18 HB ILE 18 -7.629 1.300 -6.631 139 HG12 ILE 18 HG12 ILE 18 -8.626 -0.993 -6.169 140 HG13 ILE 18 HG13 ILE 18 -9.690 -0.252 -4.985 141 HG21 ILE 18 HG21 ILE 18 -6.783 -0.466 -4.906 142 HG22 ILE 18 HG22 ILE 18 -7.341 0.692 -3.700 143 HG23 ILE 18 HG23 ILE 18 -6.111 1.162 -4.867 144 HD11 ILE 18 HD11 ILE 18 -10.436 -0.628 -7.545 145 HD12 ILE 18 HD12 ILE 18 -9.684 0.948 -7.731 146 HD13 ILE 18 HD13 ILE 18 -11.010 0.723 -6.593 147 H ASP 19 H ASP 19 -11.265 2.597 -5.821 148 HA ASP 19 HA ASP 19 -10.586 4.149 -8.267 149 HB2 ASP 19 HB2 ASP 19 -12.380 3.031 -9.429 150 HB3 ASP 19 HB3 ASP 19 -11.340 1.841 -8.693 151 H ASP 20 H ASP 20 -11.516 5.122 -5.496 152 HA ASP 20 HA ASP 20 -14.075 6.330 -6.177 153 HB2 ASP 20 HB2 ASP 20 -12.444 6.337 -3.659 154 HB3 ASP 20 HB3 ASP 20 -13.860 7.374 -3.864 155 HA PRO 21 HA PRO 21 -12.997 10.267 -7.793 156 HB2 PRO 21 HB2 PRO 21 -14.516 11.517 -5.542 157 HB3 PRO 21 HB3 PRO 21 -14.632 11.812 -7.291 158 HG2 PRO 21 HG2 PRO 21 -16.476 10.387 -6.111 159 HG3 PRO 21 HG3 PRO 21 -15.823 9.855 -7.674 160 HD2 PRO 21 HD2 PRO 21 -15.243 8.779 -4.935 161 HD3 PRO 21 HD3 PRO 21 -15.437 7.903 -6.476 162 H THR 22 H THR 22 -12.534 9.838 -4.310 163 HA THR 22 HA THR 22 -10.968 12.146 -3.850 164 HB THR 22 HB THR 22 -10.217 11.000 -1.797 165 HG1 THR 22 HG1 THR 22 -11.245 8.781 -3.177 166 HG21 THR 22 HG21 THR 22 -12.548 10.443 -0.922 167 HG22 THR 22 HG22 THR 22 -13.126 10.852 -2.539 168 HG23 THR 22 HG23 THR 22 -12.289 12.064 -1.563 169 H LEU 23 H LEU 23 -10.028 8.819 -4.790 170 HA LEU 23 HA LEU 23 -7.232 9.367 -4.836 171 HB2 LEU 23 HB2 LEU 23 -8.934 7.234 -6.106 172 HB3 LEU 23 HB3 LEU 23 -7.190 7.323 -6.344 173 HG LEU 23 HG LEU 23 -7.019 7.379 -3.767 174 HD11 LEU 23 HD11 LEU 23 -9.927 6.662 -4.166 175 HD12 LEU 23 HD12 LEU 23 -9.207 7.817 -3.045 176 HD13 LEU 23 HD13 LEU 23 -9.042 6.092 -2.748 177 HD21 LEU 23 HD21 LEU 23 -7.554 4.786 -3.731 178 HD22 LEU 23 HD22 LEU 23 -6.259 5.393 -4.755 179 HD23 LEU 23 HD23 LEU 23 -7.825 5.005 -5.454 180 H GLN 24 H GLN 24 -9.781 9.396 -7.317 181 HA GLN 24 HA GLN 24 -8.025 9.851 -9.498 182 HB2 GLN 24 HB2 GLN 24 -11.011 10.119 -9.232 183 HB3 GLN 24 HB3 GLN 24 -10.174 10.540 -10.724 184 HG2 GLN 24 HG2 GLN 24 -10.676 8.307 -11.134 185 HG3 GLN 24 HG3 GLN 24 -9.080 8.133 -10.415 186 HE21 GLN 24 HE21 GLN 24 -9.060 6.453 -8.943 187 HE22 GLN 24 HE22 GLN 24 -10.344 6.037 -7.916 188 H GLU 25 H GLU 25 -9.910 12.143 -7.534 189 HA GLU 25 HA GLU 25 -8.675 14.347 -9.086 190 HB2 GLU 25 HB2 GLU 25 -11.360 14.293 -7.710 191 HB3 GLU 25 HB3 GLU 25 -10.665 15.691 -8.529 192 HG2 GLU 25 HG2 GLU 25 -10.557 14.395 -10.638 193 HG3 GLU 25 HG3 GLU 25 -11.281 13.012 -9.819 194 H CYS 26 H CYS 26 -8.715 12.998 -5.933 195 HA CYS 26 HA CYS 26 -7.798 15.581 -4.830 196 HB2 CYS 26 HB2 CYS 26 -9.299 13.382 -3.397 197 HB3 CYS 26 HB3 CYS 26 -8.542 14.756 -2.615 198 HG CYS 26 HG CYS 26 -10.280 15.875 -4.733 199 H ARG 27 H ARG 27 -6.178 15.647 -3.420 200 HA ARG 27 HA ARG 27 -3.915 14.041 -3.925 201 HB2 ARG 27 HB2 ARG 27 -3.108 15.188 -1.617 202 HB3 ARG 27 HB3 ARG 27 -3.140 16.079 -3.126 203 HG2 ARG 27 HG2 ARG 27 -5.150 17.195 -2.566 204 HG3 ARG 27 HG3 ARG 27 -5.542 16.049 -1.291 205 HD2 ARG 27 HD2 ARG 27 -3.799 16.926 0.114 206 HD3 ARG 27 HD3 ARG 27 -3.172 17.937 -1.190 207 HE ARG 27 HE ARG 27 -5.585 18.379 0.418 208 HH11 ARG 27 HH11 ARG 27 -3.676 19.386 -2.363 209 HH12 ARG 27 HH12 ARG 27 -4.413 20.949 -2.454 210 HH21 ARG 27 HH21 ARG 27 -6.494 20.449 0.275 211 HH22 ARG 27 HH22 ARG 27 -5.995 21.546 -0.970 212 H VAL 28 H VAL 28 -2.665 12.711 -2.504 213 HA VAL 28 HA VAL 28 -4.253 11.245 -0.487 214 HB VAL 28 HB VAL 28 -3.245 9.120 -1.262 215 HG11 VAL 28 HG11 VAL 28 -4.452 9.080 -3.531 216 HG12 VAL 28 HG12 VAL 28 -4.805 10.783 -3.245 217 HG13 VAL 28 HG13 VAL 28 -5.414 9.558 -2.134 218 HG21 VAL 28 HG21 VAL 28 -1.209 10.245 -2.304 219 HG22 VAL 28 HG22 VAL 28 -2.248 10.719 -3.647 220 HG23 VAL 28 HG23 VAL 28 -1.965 9.012 -3.312 221 H LEU 29 H LEU 29 -2.959 9.955 1.059 222 HA LEU 29 HA LEU 29 -0.853 11.550 2.159 223 HB2 LEU 29 HB2 LEU 29 -2.085 8.927 2.981 224 HB3 LEU 29 HB3 LEU 29 -0.654 9.549 3.796 225 HG LEU 29 HG LEU 29 -3.183 11.180 3.451 226 HD11 LEU 29 HD11 LEU 29 -3.486 10.621 5.938 227 HD12 LEU 29 HD12 LEU 29 -2.336 9.312 5.672 228 HD13 LEU 29 HD13 LEU 29 -3.866 9.333 4.797 229 HD21 LEU 29 HD21 LEU 29 -1.321 12.601 3.936 230 HD22 LEU 29 HD22 LEU 29 -0.634 11.444 5.076 231 HD23 LEU 29 HD23 LEU 29 -2.087 12.343 5.504 232 H SER 30 H SER 30 1.244 11.215 2.389 233 HA SER 30 HA SER 30 2.601 8.846 1.422 234 HB2 SER 30 HB2 SER 30 3.926 9.958 -0.273 235 HB3 SER 30 HB3 SER 30 2.224 10.202 -0.650 236 HG SER 30 HG SER 30 4.144 11.998 0.325 237 H TYR 31 H TYR 31 4.997 9.028 1.869 238 HA TYR 31 HA TYR 31 5.406 10.641 4.287 239 HB2 TYR 31 HB2 TYR 31 5.982 8.172 4.244 240 HB3 TYR 31 HB3 TYR 31 7.280 8.576 3.114 241 HD1 TYR 31 HD1 TYR 31 6.037 8.970 6.572 242 HD2 TYR 31 HD2 TYR 31 9.242 9.818 3.842 243 HE1 TYR 31 HE1 TYR 31 7.480 9.638 8.475 244 HE2 TYR 31 HE2 TYR 31 10.686 10.484 5.747 245 HH TYR 31 HH TYR 31 9.989 11.431 8.339 246 H ASN 32 H ASN 32 6.066 12.646 3.941 247 HA ASN 32 HA ASN 32 7.689 13.250 1.631 248 HB2 ASN 32 HB2 ASN 32 5.925 14.741 3.336 249 HB3 ASN 32 HB3 ASN 32 7.502 15.508 3.417 250 HD21 ASN 32 HD21 ASN 32 8.529 15.285 0.883 251 HD22 ASN 32 HD22 ASN 32 7.498 16.006 -0.258 252 H GLU 33 H GLU 33 9.363 11.781 2.290 253 HA GLU 33 HA GLU 33 10.957 11.998 4.564 254 HB2 GLU 33 HB2 GLU 33 12.780 11.005 3.164 255 HB3 GLU 33 HB3 GLU 33 11.249 10.141 3.035 256 HG2 GLU 33 HG2 GLU 33 10.732 11.272 0.946 257 HG3 GLU 33 HG3 GLU 33 12.202 12.244 1.061 258 H SER 34 H SER 34 10.630 14.189 1.933 259 HA SER 34 HA SER 34 13.082 15.572 2.033 260 HB2 SER 34 HB2 SER 34 11.454 15.876 0.222 261 HB3 SER 34 HB3 SER 34 10.290 16.539 1.360 262 HG SER 34 HG SER 34 12.753 17.605 0.464 263 H THR 35 H THR 35 10.033 15.918 3.833 264 HA THR 35 HA THR 35 11.327 17.861 5.647 265 HB THR 35 HB THR 35 9.033 18.504 6.326 266 HG1 THR 35 HG1 THR 35 7.889 16.673 5.901 267 HG21 THR 35 HG21 THR 35 10.099 19.779 4.563 268 HG22 THR 35 HG22 THR 35 8.400 19.558 4.144 269 HG23 THR 35 HG23 THR 35 9.637 18.576 3.360 270 H GLN 36 H GLN 36 10.563 14.600 5.521 271 HA GLN 36 HA GLN 36 10.507 12.908 7.052 272 HB2 GLN 36 HB2 GLN 36 11.563 15.057 8.912 273 HB3 GLN 36 HB3 GLN 36 11.505 13.336 9.295 274 HG2 GLN 36 HG2 GLN 36 12.932 12.858 7.330 275 HG3 GLN 36 HG3 GLN 36 13.016 14.585 6.981 276 HE21 GLN 36 HE21 GLN 36 15.035 15.334 7.629 277 HE22 GLN 36 HE22 GLN 36 15.809 14.909 9.080 278 H GLN 37 H GLN 37 8.126 14.435 6.571 279 HA GLN 37 HA GLN 37 6.618 13.703 8.981 280 HB2 GLN 37 HB2 GLN 37 6.510 16.410 7.643 281 HB3 GLN 37 HB3 GLN 37 5.260 15.818 8.737 282 HG2 GLN 37 HG2 GLN 37 6.828 15.638 10.555 283 HG3 GLN 37 HG3 GLN 37 8.191 15.973 9.489 284 HE21 GLN 37 HE21 GLN 37 7.268 17.523 11.905 285 HE22 GLN 37 HE22 GLN 37 6.982 19.100 11.343 286 H TRP 38 H TRP 38 4.304 13.398 8.569 287 HA TRP 38 HA TRP 38 3.777 12.195 6.010 288 HB2 TRP 38 HB2 TRP 38 2.024 12.830 8.389 289 HB3 TRP 38 HB3 TRP 38 1.376 12.138 6.906 290 HD1 TRP 38 HD1 TRP 38 2.876 11.182 10.114 291 HE1 TRP 38 HE1 TRP 38 3.505 8.685 10.117 292 HE3 TRP 38 HE3 TRP 38 2.491 10.183 5.124 293 HZ2 TRP 38 HZ2 TRP 38 3.824 6.540 8.231 294 HZ3 TRP 38 HZ3 TRP 38 2.965 7.911 4.251 295 HH2 TRP 38 HH2 TRP 38 3.631 6.089 5.791 296 H GLU 39 H GLU 39 2.975 13.118 4.223 297 HA GLU 39 HA GLU 39 1.505 15.642 4.430 298 HB2 GLU 39 HB2 GLU 39 3.962 15.294 2.708 299 HB3 GLU 39 HB3 GLU 39 2.880 16.684 2.658 300 HG2 GLU 39 HG2 GLU 39 4.458 15.776 5.095 301 HG3 GLU 39 HG3 GLU 39 4.888 17.130 4.059 302 H TRP 40 H TRP 40 0.189 16.117 2.678 303 HA TRP 40 HA TRP 40 -0.579 13.815 1.062 304 HB2 TRP 40 HB2 TRP 40 -1.830 16.482 1.663 305 HB3 TRP 40 HB3 TRP 40 -2.309 15.596 0.225 306 HD1 TRP 40 HD1 TRP 40 -3.704 13.430 0.494 307 HE1 TRP 40 HE1 TRP 40 -4.978 12.387 2.468 308 HE3 TRP 40 HE3 TRP 40 -1.761 16.167 4.343 309 HZ2 TRP 40 HZ2 TRP 40 -5.162 12.662 5.287 310 HZ3 TRP 40 HZ3 TRP 40 -2.511 15.753 6.674 311 HH2 TRP 40 HH2 TRP 40 -4.208 14.006 7.151 312 H GLN 41 H GLN 41 -0.638 13.757 -1.141 313 HA GLN 41 HA GLN 41 0.762 15.892 -2.616 314 HB2 GLN 41 HB2 GLN 41 1.129 12.909 -2.994 315 HB3 GLN 41 HB3 GLN 41 1.810 14.160 -4.026 316 HG2 GLN 41 HG2 GLN 41 2.386 13.841 -1.059 317 HG3 GLN 41 HG3 GLN 41 3.467 13.338 -2.354 318 HE21 GLN 41 HE21 GLN 41 3.233 15.724 -0.152 319 HE22 GLN 41 HE22 GLN 41 3.856 17.034 -1.036 320 H GLN 42 H GLN 42 -0.041 16.280 -4.713 321 HA GLN 42 HA GLN 42 -2.766 15.549 -5.069 322 HB2 GLN 42 HB2 GLN 42 -1.007 17.571 -6.092 323 HB3 GLN 42 HB3 GLN 42 -1.744 16.763 -7.477 324 HG2 GLN 42 HG2 GLN 42 -3.384 17.737 -5.122 325 HG3 GLN 42 HG3 GLN 42 -2.995 18.789 -6.483 326 HE21 GLN 42 HE21 GLN 42 -4.516 15.594 -5.764 327 HE22 GLN 42 HE22 GLN 42 -5.571 15.634 -7.081 328 H VAL 43 H VAL 43 -3.691 14.083 -6.268 329 HA VAL 43 HA VAL 43 -2.131 11.960 -7.381 330 HB VAL 43 HB VAL 43 -4.329 10.945 -7.953 331 HG11 VAL 43 HG11 VAL 43 -5.206 10.800 -5.646 332 HG12 VAL 43 HG12 VAL 43 -4.228 12.195 -5.193 333 HG13 VAL 43 HG13 VAL 43 -3.447 10.693 -5.679 334 HG21 VAL 43 HG21 VAL 43 -5.709 12.711 -8.640 335 HG22 VAL 43 HG22 VAL 43 -5.297 13.725 -7.265 336 HG23 VAL 43 HG23 VAL 43 -6.377 12.349 -7.047 337 H LEU 44 H LEU 44 -1.056 12.336 -9.153 338 HA LEU 44 HA LEU 44 -1.570 14.244 -11.128 339 HB2 LEU 44 HB2 LEU 44 -0.058 11.674 -11.203 340 HB3 LEU 44 HB3 LEU 44 -0.047 12.835 -12.528 341 HG LEU 44 HG LEU 44 0.766 13.503 -9.684 342 HD11 LEU 44 HD11 LEU 44 2.387 12.706 -12.109 343 HD12 LEU 44 HD12 LEU 44 2.295 11.861 -10.566 344 HD13 LEU 44 HD13 LEU 44 3.093 13.436 -10.663 345 HD21 LEU 44 HD21 LEU 44 1.948 15.408 -11.059 346 HD22 LEU 44 HD22 LEU 44 0.218 15.538 -10.777 347 HD23 LEU 44 HD23 LEU 44 0.812 14.977 -12.340 348 H ARG 45 H ARG 45 -2.279 10.744 -11.098 349 HA ARG 45 HA ARG 45 -4.483 11.091 -12.921 350 HB2 ARG 45 HB2 ARG 45 -3.553 9.924 -14.832 351 HB3 ARG 45 HB3 ARG 45 -2.469 11.252 -14.400 352 HG2 ARG 45 HG2 ARG 45 -0.984 9.702 -13.213 353 HG3 ARG 45 HG3 ARG 45 -2.052 8.351 -13.601 354 HD2 ARG 45 HD2 ARG 45 -1.703 8.803 -16.020 355 HD3 ARG 45 HD3 ARG 45 -0.587 10.098 -15.601 356 HE ARG 45 HE ARG 45 0.260 7.730 -14.317 357 HH11 ARG 45 HH11 ARG 45 0.003 9.023 -17.573 358 HH12 ARG 45 HH12 ARG 45 1.325 8.084 -18.182 359 HH21 ARG 45 HH21 ARG 45 1.988 6.532 -15.146 360 HH22 ARG 45 HH22 ARG 45 2.442 6.681 -16.810 361 H TRP 46 H TRP 46 -5.509 9.007 -13.504 362 HA TRP 46 HA TRP 46 -5.038 6.935 -11.439 363 HB2 TRP 46 HB2 TRP 46 -7.193 8.156 -11.209 364 HB3 TRP 46 HB3 TRP 46 -7.649 7.618 -12.823 365 HD1 TRP 46 HD1 TRP 46 -6.162 5.672 -9.774 366 HE1 TRP 46 HE1 TRP 46 -7.611 3.598 -9.363 367 HE3 TRP 46 HE3 TRP 46 -9.696 6.321 -13.415 368 HZ2 TRP 46 HZ2 TRP 46 -9.940 2.360 -10.423 369 HZ3 TRP 46 HZ3 TRP 46 -11.521 4.660 -13.685 370 HH2 TRP 46 HH2 TRP 46 -11.640 2.678 -12.187 371 H LEU 47 H LEU 47 -4.135 5.182 -12.273 372 HA LEU 47 HA LEU 47 -4.714 4.486 -15.083 373 HB2 LEU 47 HB2 LEU 47 -2.517 3.281 -15.046 374 HB3 LEU 47 HB3 LEU 47 -2.389 5.024 -14.865 375 HG LEU 47 HG LEU 47 -2.533 3.329 -12.370 376 HD11 LEU 47 HD11 LEU 47 0.175 3.877 -13.578 377 HD12 LEU 47 HD12 LEU 47 -0.720 2.462 -14.109 378 HD13 LEU 47 HD13 LEU 47 -0.305 2.649 -12.409 379 HD21 LEU 47 HD21 LEU 47 -0.659 5.669 -12.702 380 HD22 LEU 47 HD22 LEU 47 -1.633 5.201 -11.316 381 HD23 LEU 47 HD23 LEU 47 -2.379 6.036 -12.667 382 H ASP 48 H ASP 48 -5.755 2.711 -15.527 383 HA ASP 48 HA ASP 48 -6.336 0.746 -13.412 384 HB2 ASP 48 HB2 ASP 48 -7.415 0.797 -16.246 385 HB3 ASP 48 HB3 ASP 48 -8.081 -0.050 -14.854 386 H GLN 49 H GLN 49 -4.542 -0.556 -13.230 387 HA GLN 49 HA GLN 49 -3.048 -1.480 -15.507 388 HB2 GLN 49 HB2 GLN 49 -2.953 -2.091 -12.566 389 HB3 GLN 49 HB3 GLN 49 -1.946 -2.981 -13.716 390 HG2 GLN 49 HG2 GLN 49 -0.627 -1.147 -12.922 391 HG3 GLN 49 HG3 GLN 49 -1.157 -0.698 -14.544 392 HE21 GLN 49 HE21 GLN 49 -1.923 -0.197 -11.076 393 HE22 GLN 49 HE22 GLN 49 -2.703 1.291 -11.312 394 H GLY 50 H GLY 50 -5.966 -2.534 -14.132 395 HA2 GLY 50 HA2 GLY 50 -7.320 -4.343 -14.527 396 HA3 GLY 50 HA3 GLY 50 -6.363 -4.602 -15.979 397 H VAL 51 H VAL 51 -5.881 -6.703 -16.021 398 HA VAL 51 HA VAL 51 -5.607 -8.365 -13.756 399 HB VAL 51 HB VAL 51 -6.252 -9.188 -15.989 400 HG11 VAL 51 HG11 VAL 51 -4.758 -9.315 -17.822 401 HG12 VAL 51 HG12 VAL 51 -3.360 -8.936 -16.817 402 HG13 VAL 51 HG13 VAL 51 -4.548 -7.686 -17.181 403 HG21 VAL 51 HG21 VAL 51 -4.627 -11.180 -16.047 404 HG22 VAL 51 HG22 VAL 51 -5.451 -10.895 -14.515 405 HG23 VAL 51 HG23 VAL 51 -3.774 -10.389 -14.721 406 H ARG 52 H ARG 52 -4.032 -8.365 -12.290 407 HA ARG 52 HA ARG 52 -1.241 -8.427 -13.106 408 HB2 ARG 52 HB2 ARG 52 -1.840 -5.965 -12.819 409 HB3 ARG 52 HB3 ARG 52 -2.078 -6.332 -11.106 410 HG2 ARG 52 HG2 ARG 52 0.246 -7.264 -11.035 411 HG3 ARG 52 HG3 ARG 52 0.480 -6.684 -12.684 412 HD2 ARG 52 HD2 ARG 52 -0.082 -4.373 -11.902 413 HD3 ARG 52 HD3 ARG 52 -0.178 -4.992 -10.261 414 HE ARG 52 HE ARG 52 2.164 -5.210 -10.224 415 HH11 ARG 52 HH11 ARG 52 1.089 -4.254 -13.436 416 HH12 ARG 52 HH12 ARG 52 2.683 -3.846 -13.973 417 HH21 ARG 52 HH21 ARG 52 4.222 -4.659 -10.976 418 HH22 ARG 52 HH22 ARG 52 4.441 -4.075 -12.591 419 H GLU 53 H GLU 53 -0.087 -9.705 -11.795 420 HA GLU 53 HA GLU 53 -1.289 -11.238 -9.725 421 HB2 GLU 53 HB2 GLU 53 0.660 -11.954 -11.151 422 HB3 GLU 53 HB3 GLU 53 1.669 -10.826 -10.246 423 HG2 GLU 53 HG2 GLU 53 1.176 -12.012 -8.156 424 HG3 GLU 53 HG3 GLU 53 0.085 -13.095 -9.008 425 H THR 54 H THR 54 -1.257 -11.010 -7.471 426 HA THR 54 HA THR 54 0.275 -8.722 -6.379 427 HB THR 54 HB THR 54 -1.967 -7.854 -6.929 428 HG1 THR 54 HG1 THR 54 -1.037 -6.874 -5.233 429 HG21 THR 54 HG21 THR 54 -2.957 -10.322 -6.083 430 HG22 THR 54 HG22 THR 54 -3.913 -8.872 -6.358 431 HG23 THR 54 HG23 THR 54 -3.343 -9.246 -4.736 432 H TRP 55 H TRP 55 0.629 -8.669 -4.155 433 HA TRP 55 HA TRP 55 0.276 -11.245 -2.761 434 HB2 TRP 55 HB2 TRP 55 2.565 -9.286 -2.711 435 HB3 TRP 55 HB3 TRP 55 2.346 -10.511 -1.464 436 HD1 TRP 55 HD1 TRP 55 3.272 -12.816 -1.970 437 HE1 TRP 55 HE1 TRP 55 4.222 -13.977 -4.052 438 HE3 TRP 55 HE3 TRP 55 2.203 -9.304 -5.506 439 HZ2 TRP 55 HZ2 TRP 55 4.493 -13.497 -6.859 440 HZ3 TRP 55 HZ3 TRP 55 2.810 -9.681 -7.880 441 HH2 TRP 55 HH2 TRP 55 3.953 -11.776 -8.560 442 H LYS 56 H LYS 56 -0.810 -11.214 -0.877 443 HA LYS 56 HA LYS 56 -1.783 -8.660 0.143 444 HB2 LYS 56 HB2 LYS 56 -3.408 -10.488 -0.201 445 HB3 LYS 56 HB3 LYS 56 -2.534 -11.482 0.962 446 HG2 LYS 56 HG2 LYS 56 -3.050 -9.928 2.781 447 HG3 LYS 56 HG3 LYS 56 -3.746 -8.772 1.641 448 HD2 LYS 56 HD2 LYS 56 -5.593 -9.927 2.666 449 HD3 LYS 56 HD3 LYS 56 -5.451 -10.561 1.028 450 HE2 LYS 56 HE2 LYS 56 -4.244 -12.526 1.861 451 HE3 LYS 56 HE3 LYS 56 -4.282 -11.881 3.502 452 HZ1 LYS 56 HZ1 LYS 56 -6.479 -12.967 1.879 453 HZ2 LYS 56 HZ2 LYS 56 -6.823 -11.805 3.070 454 HZ3 LYS 56 HZ3 LYS 56 -6.087 -13.275 3.500 455 H ILE 57 H ILE 57 -0.173 -7.731 1.228 456 HA ILE 57 HA ILE 57 1.347 -9.144 3.235 457 HB ILE 57 HB ILE 57 1.292 -6.181 2.554 458 HG12 ILE 57 HG12 ILE 57 3.395 -8.236 1.775 459 HG13 ILE 57 HG13 ILE 57 2.035 -7.863 0.723 460 HG21 ILE 57 HG21 ILE 57 3.362 -7.800 4.079 461 HG22 ILE 57 HG22 ILE 57 2.150 -6.777 4.850 462 HG23 ILE 57 HG23 ILE 57 3.377 -6.056 3.808 463 HD11 ILE 57 HD11 ILE 57 3.861 -5.734 1.817 464 HD12 ILE 57 HD12 ILE 57 2.720 -5.618 0.473 465 HD13 ILE 57 HD13 ILE 57 4.189 -6.583 0.305 466 H LYS 58 H LYS 58 0.289 -9.691 4.939 467 HA LYS 58 HA LYS 58 -1.857 -8.121 6.099 468 HB2 LYS 58 HB2 LYS 58 -2.048 -10.597 5.780 469 HB3 LYS 58 HB3 LYS 58 -0.710 -10.814 6.872 470 HG2 LYS 58 HG2 LYS 58 -2.390 -11.049 8.437 471 HG3 LYS 58 HG3 LYS 58 -2.226 -9.309 8.519 472 HD2 LYS 58 HD2 LYS 58 -4.499 -9.412 8.196 473 HD3 LYS 58 HD3 LYS 58 -4.010 -9.393 6.505 474 HE2 LYS 58 HE2 LYS 58 -4.527 -11.918 8.115 475 HE3 LYS 58 HE3 LYS 58 -5.686 -11.187 7.005 476 HZ1 LYS 58 HZ1 LYS 58 -3.091 -12.457 6.395 477 HZ2 LYS 58 HZ2 LYS 58 -3.798 -11.355 5.313 478 HZ3 LYS 58 HZ3 LYS 58 -4.615 -12.786 5.731 479 H THR 59 H THR 59 -1.642 -6.861 7.859 480 HA THR 59 HA THR 59 0.706 -7.234 9.622 481 HB THR 59 HB THR 59 1.154 -4.892 9.804 482 HG1 THR 59 HG1 THR 59 -0.435 -3.575 9.593 483 HG21 THR 59 HG21 THR 59 0.592 -5.169 6.859 484 HG22 THR 59 HG22 THR 59 1.868 -6.111 7.637 485 HG23 THR 59 HG23 THR 59 1.945 -4.351 7.643 486 H PHE 60 H PHE 60 0.431 -6.180 11.738 487 HA PHE 60 HA PHE 60 -1.903 -7.104 12.979 488 HB2 PHE 60 HB2 PHE 60 0.300 -6.817 14.111 489 HB3 PHE 60 HB3 PHE 60 0.079 -5.071 14.051 490 HD1 PHE 60 HD1 PHE 60 -1.338 -8.236 15.418 491 HD2 PHE 60 HD2 PHE 60 -1.316 -3.945 15.641 492 HE1 PHE 60 HE1 PHE 60 -2.655 -8.337 17.517 493 HE2 PHE 60 HE2 PHE 60 -2.633 -4.048 17.740 494 HZ PHE 60 HZ PHE 60 -3.304 -6.244 18.678 495 H GLN 61 H GLN 61 -0.987 -3.841 11.906 496 HA GLN 61 HA GLN 61 -3.421 -2.686 13.016 497 HB2 GLN 61 HB2 GLN 61 -1.170 -1.451 11.423 498 HB3 GLN 61 HB3 GLN 61 -2.533 -0.554 12.091 499 HG2 GLN 61 HG2 GLN 61 -1.918 -1.358 14.361 500 HG3 GLN 61 HG3 GLN 61 -0.519 -2.178 13.665 501 HE21 GLN 61 HE21 GLN 61 1.236 -0.930 14.376 502 HE22 GLN 61 HE22 GLN 61 1.363 0.752 14.149 503 H THR 62 H THR 62 -2.261 -3.762 9.875 504 HA THR 62 HA THR 62 -4.911 -3.454 8.760 505 HB THR 62 HB THR 62 -4.054 -1.175 8.484 506 HG1 THR 62 HG1 THR 62 -5.390 -1.811 6.885 507 HG21 THR 62 HG21 THR 62 -1.753 -2.606 7.170 508 HG22 THR 62 HG22 THR 62 -1.728 -1.324 8.382 509 HG23 THR 62 HG23 THR 62 -2.161 -0.951 6.715 510 H GLU 63 H GLU 63 -4.729 -3.885 6.229 511 HA GLU 63 HA GLU 63 -2.646 -5.715 5.443 512 HB2 GLU 63 HB2 GLU 63 -4.136 -7.647 5.045 513 HB3 GLU 63 HB3 GLU 63 -4.055 -7.244 6.761 514 HG2 GLU 63 HG2 GLU 63 -6.188 -5.938 6.495 515 HG3 GLU 63 HG3 GLU 63 -6.276 -6.513 4.831 516 H ILE 64 H ILE 64 -2.465 -5.840 3.217 517 HA ILE 64 HA ILE 64 -4.670 -5.176 1.491 518 HB ILE 64 HB ILE 64 -4.066 -2.936 2.333 519 HG12 ILE 64 HG12 ILE 64 -3.253 -3.089 -0.582 520 HG13 ILE 64 HG13 ILE 64 -4.900 -3.469 -0.089 521 HG21 ILE 64 HG21 ILE 64 -1.421 -3.424 0.932 522 HG22 ILE 64 HG22 ILE 64 -1.654 -3.324 2.678 523 HG23 ILE 64 HG23 ILE 64 -1.936 -1.906 1.668 524 HD11 ILE 64 HD11 ILE 64 -3.687 -0.899 0.916 525 HD12 ILE 64 HD12 ILE 64 -5.367 -1.300 0.562 526 HD13 ILE 64 HD13 ILE 64 -4.256 -0.975 -0.750 527 H LYS 65 H LYS 65 -4.249 -5.396 -0.767 528 HA LYS 65 HA LYS 65 -1.862 -7.032 -1.290 529 HB2 LYS 65 HB2 LYS 65 -3.424 -7.622 -3.436 530 HB3 LYS 65 HB3 LYS 65 -3.439 -8.547 -1.947 531 HG2 LYS 65 HG2 LYS 65 -5.285 -6.165 -2.217 532 HG3 LYS 65 HG3 LYS 65 -5.718 -7.675 -3.016 533 HD2 LYS 65 HD2 LYS 65 -5.487 -8.862 -0.838 534 HD3 LYS 65 HD3 LYS 65 -5.173 -7.316 -0.052 535 HE2 LYS 65 HE2 LYS 65 -7.369 -6.481 -0.805 536 HE3 LYS 65 HE3 LYS 65 -7.689 -8.029 -1.587 537 HZ1 LYS 65 HZ1 LYS 65 -7.020 -7.859 1.287 538 HZ2 LYS 65 HZ2 LYS 65 -7.782 -9.126 0.448 539 HZ3 LYS 65 HZ3 LYS 65 -8.614 -7.673 0.741 540 H CYS 66 H CYS 66 -0.349 -6.417 -2.605 541 HA CYS 66 HA CYS 66 -0.822 -4.593 -4.829 542 HB2 CYS 66 HB2 CYS 66 0.964 -3.052 -4.162 543 HB3 CYS 66 HB3 CYS 66 -0.295 -3.064 -2.943 544 HG CYS 66 HG CYS 66 1.270 -4.104 -1.296 545 H THR 67 H THR 67 1.435 -4.203 -5.950 546 HA THR 67 HA THR 67 2.360 -6.608 -6.961 547 HB THR 67 HB THR 67 3.934 -4.016 -6.786 548 HG1 THR 67 HG1 THR 67 1.872 -4.925 -8.493 549 HG21 THR 67 HG21 THR 67 4.680 -4.971 -9.115 550 HG22 THR 67 HG22 THR 67 4.196 -6.524 -8.438 551 HG23 THR 67 HG23 THR 67 5.448 -5.563 -7.648 552 H GLY 68 H GLY 68 3.806 -8.114 -6.310 553 HA2 GLY 68 HA2 GLY 68 4.964 -7.931 -3.653 554 HA3 GLY 68 HA3 GLY 68 4.887 -9.352 -4.664 555 H ASN 69 H ASN 69 6.027 -7.199 -6.801 556 HA ASN 69 HA ASN 69 8.822 -7.955 -6.284 557 HB2 ASN 69 HB2 ASN 69 7.508 -6.985 -8.826 558 HB3 ASN 69 HB3 ASN 69 9.191 -7.494 -8.665 559 HD21 ASN 69 HD21 ASN 69 9.217 -9.821 -7.354 560 HD22 ASN 69 HD22 ASN 69 8.185 -10.976 -8.050 561 H HIS 70 H HIS 70 6.768 -5.191 -6.248 562 HA HIS 70 HA HIS 70 8.922 -3.292 -6.694 563 HB2 HIS 70 HB2 HIS 70 6.361 -3.023 -7.288 564 HB3 HIS 70 HB3 HIS 70 6.225 -2.509 -5.610 565 HD2 HIS 70 HD2 HIS 70 6.837 -0.840 -8.895 566 HE1 HIS 70 HE1 HIS 70 9.047 1.487 -6.159 567 HE2 HIS 70 HE2 HIS 70 8.111 1.410 -8.516 568 H LEU 71 H LEU 71 9.716 -1.835 -5.100 569 HA LEU 71 HA LEU 71 9.931 -2.987 -2.447 570 HB2 LEU 71 HB2 LEU 71 11.056 -0.372 -3.492 571 HB3 LEU 71 HB3 LEU 71 11.477 -1.167 -1.979 572 HG LEU 71 HG LEU 71 12.086 -3.224 -3.525 573 HD11 LEU 71 HD11 LEU 71 11.387 -2.597 -5.674 574 HD12 LEU 71 HD12 LEU 71 13.097 -2.205 -5.736 575 HD13 LEU 71 HD13 LEU 71 11.911 -0.927 -5.475 576 HD21 LEU 71 HD21 LEU 71 13.830 -0.730 -3.507 577 HD22 LEU 71 HD22 LEU 71 14.393 -2.386 -3.720 578 HD23 LEU 71 HD23 LEU 71 13.707 -1.883 -2.177 579 H ILE 72 H ILE 72 8.938 -2.408 -0.657 580 HA ILE 72 HA ILE 72 7.192 -0.018 -0.684 581 HB ILE 72 HB ILE 72 5.716 -1.203 0.910 582 HG12 ILE 72 HG12 ILE 72 7.354 -3.697 0.305 583 HG13 ILE 72 HG13 ILE 72 7.595 -2.739 1.762 584 HG21 ILE 72 HG21 ILE 72 4.923 -2.999 -0.751 585 HG22 ILE 72 HG22 ILE 72 6.282 -2.502 -1.761 586 HG23 ILE 72 HG23 ILE 72 5.018 -1.343 -1.348 587 HD11 ILE 72 HD11 ILE 72 5.224 -4.393 0.956 588 HD12 ILE 72 HD12 ILE 72 4.996 -3.045 2.070 589 HD13 ILE 72 HD13 ILE 72 6.078 -4.368 2.497 590 H ARG 73 H ARG 73 7.068 1.159 1.313 591 HA ARG 73 HA ARG 73 9.632 1.229 2.537 592 HB2 ARG 73 HB2 ARG 73 7.709 3.156 2.198 593 HB3 ARG 73 HB3 ARG 73 7.514 2.791 3.897 594 HG2 ARG 73 HG2 ARG 73 10.361 3.126 2.983 595 HG3 ARG 73 HG3 ARG 73 9.375 4.566 2.946 596 HD2 ARG 73 HD2 ARG 73 8.953 3.145 5.459 597 HD3 ARG 73 HD3 ARG 73 10.658 3.432 5.180 598 HE ARG 73 HE ARG 73 8.568 5.513 5.409 599 HH11 ARG 73 HH11 ARG 73 11.999 4.737 5.065 600 HH12 ARG 73 HH12 ARG 73 12.507 6.329 5.501 601 HH21 ARG 73 HH21 ARG 73 9.310 7.554 5.996 602 HH22 ARG 73 HH22 ARG 73 11.006 7.906 6.016 603 H THR 74 H THR 74 10.339 0.806 4.505 604 HA THR 74 HA THR 74 8.574 -0.513 6.445 605 HB THR 74 HB THR 74 10.254 -2.257 6.855 606 HG1 THR 74 HG1 THR 74 12.159 -2.179 5.964 607 HG21 THR 74 HG21 THR 74 9.288 -1.965 4.008 608 HG22 THR 74 HG22 THR 74 8.607 -2.958 5.296 609 HG23 THR 74 HG23 THR 74 10.145 -3.405 4.562 610 H ASP 75 H ASP 75 10.109 -0.913 8.523 611 HA ASP 75 HA ASP 75 10.747 1.622 9.547 612 HB2 ASP 75 HB2 ASP 75 11.814 0.400 11.415 613 HB3 ASP 75 HB3 ASP 75 10.232 -0.258 11.016 614 H LYS 76 H LYS 76 12.662 -0.619 7.667 615 HA LYS 76 HA LYS 76 15.150 0.842 8.208 616 HB2 LYS 76 HB2 LYS 76 14.622 -1.702 6.672 617 HB3 LYS 76 HB3 LYS 76 16.212 -0.958 6.849 618 HG2 LYS 76 HG2 LYS 76 16.025 -1.131 9.303 619 HG3 LYS 76 HG3 LYS 76 14.440 -1.887 9.129 620 HD2 LYS 76 HD2 LYS 76 15.473 -3.728 7.829 621 HD3 LYS 76 HD3 LYS 76 17.058 -2.987 8.060 622 HE2 LYS 76 HE2 LYS 76 15.234 -3.895 10.306 623 HE3 LYS 76 HE3 LYS 76 16.622 -4.803 9.707 624 HZ1 LYS 76 HZ1 LYS 76 17.413 -3.605 11.535 625 HZ2 LYS 76 HZ2 LYS 76 16.599 -2.185 11.085 626 HZ3 LYS 76 HZ3 LYS 76 17.945 -2.717 10.194 627 H GLY 77 H GLY 77 12.610 1.249 6.075 628 HA2 GLY 77 HA2 GLY 77 12.852 3.101 4.465 629 HA3 GLY 77 HA3 GLY 77 14.387 2.385 3.988 630 H TRP 78 H TRP 78 13.569 2.366 1.775 631 HA TRP 78 HA TRP 78 11.249 0.823 1.058 632 HB2 TRP 78 HB2 TRP 78 13.584 1.814 -0.592 633 HB3 TRP 78 HB3 TRP 78 12.165 1.009 -1.260 634 HD1 TRP 78 HD1 TRP 78 13.432 4.337 -0.485 635 HE1 TRP 78 HE1 TRP 78 11.532 6.081 -0.463 636 HE3 TRP 78 HE3 TRP 78 9.373 1.243 -0.375 637 HZ2 TRP 78 HZ2 TRP 78 8.690 6.164 -0.391 638 HZ3 TRP 78 HZ3 TRP 78 7.075 2.190 -0.324 639 HH2 TRP 78 HH2 TRP 78 6.734 4.643 -0.333 640 H ILE 79 H ILE 79 11.082 -1.226 1.177 641 HA ILE 79 HA ILE 79 13.421 -2.973 0.671 642 HB ILE 79 HB ILE 79 11.242 -3.436 2.729 643 HG12 ILE 79 HG12 ILE 79 12.824 -1.668 3.438 644 HG13 ILE 79 HG13 ILE 79 13.044 -3.114 4.419 645 HG21 ILE 79 HG21 ILE 79 12.603 -5.385 3.437 646 HG22 ILE 79 HG22 ILE 79 13.710 -5.092 2.097 647 HG23 ILE 79 HG23 ILE 79 12.039 -5.554 1.774 648 HD11 ILE 79 HD11 ILE 79 14.898 -1.838 2.449 649 HD12 ILE 79 HD12 ILE 79 14.896 -3.600 2.473 650 HD13 ILE 79 HD13 ILE 79 15.272 -2.699 3.940 651 H LYS 80 H LYS 80 13.166 -4.677 -0.608 652 HA LYS 80 HA LYS 80 11.194 -4.859 -2.564 653 HB2 LYS 80 HB2 LYS 80 13.464 -5.994 -2.502 654 HB3 LYS 80 HB3 LYS 80 12.745 -7.189 -1.434 655 HG2 LYS 80 HG2 LYS 80 12.536 -8.178 -3.555 656 HG3 LYS 80 HG3 LYS 80 10.942 -7.478 -3.277 657 HD2 LYS 80 HD2 LYS 80 11.383 -5.627 -4.707 658 HD3 LYS 80 HD3 LYS 80 13.117 -5.955 -4.729 659 HE2 LYS 80 HE2 LYS 80 11.023 -7.827 -5.868 660 HE3 LYS 80 HE3 LYS 80 11.948 -6.675 -6.831 661 HZ1 LYS 80 HZ1 LYS 80 13.302 -8.462 -7.023 662 HZ2 LYS 80 HZ2 LYS 80 12.811 -9.149 -5.549 663 HZ3 LYS 80 HZ3 LYS 80 13.926 -7.868 -5.562 664 H ALA 81 H ALA 81 9.127 -5.570 -2.597 665 HA ALA 81 HA ALA 81 7.705 -6.243 -0.283 666 HB1 ALA 81 HB1 ALA 81 5.982 -7.122 -2.011 667 HB2 ALA 81 HB2 ALA 81 7.111 -6.495 -3.213 668 HB3 ALA 81 HB3 ALA 81 6.395 -5.409 -2.021 669 H ALA 82 H ALA 82 9.061 -8.295 -2.818 670 HA ALA 82 HA ALA 82 8.100 -10.785 -1.921 671 HB1 ALA 82 HB1 ALA 82 9.529 -11.728 -3.474 672 HB2 ALA 82 HB2 ALA 82 10.813 -10.561 -3.158 673 HB3 ALA 82 HB3 ALA 82 9.404 -10.086 -4.106 674 H ASN 83 H ASN 83 10.918 -8.875 -0.994 675 HA ASN 83 HA ASN 83 12.165 -10.879 0.612 676 HB2 ASN 83 HB2 ASN 83 13.331 -8.906 -0.405 677 HB3 ASN 83 HB3 ASN 83 12.544 -7.892 0.813 678 HD21 ASN 83 HD21 ASN 83 15.325 -9.740 0.209 679 HD22 ASN 83 HD22 ASN 83 15.857 -9.905 1.812 680 H ILE 84 H ILE 84 9.656 -8.500 1.236 681 HA ILE 84 HA ILE 84 9.880 -8.131 3.972 682 HB ILE 84 HB ILE 84 7.290 -8.437 2.420 683 HG12 ILE 84 HG12 ILE 84 8.764 -6.731 1.422 684 HG13 ILE 84 HG13 ILE 84 7.374 -5.970 2.166 685 HG21 ILE 84 HG21 ILE 84 7.058 -8.511 4.930 686 HG22 ILE 84 HG22 ILE 84 6.224 -7.151 4.179 687 HG23 ILE 84 HG23 ILE 84 7.767 -6.896 4.994 688 HD11 ILE 84 HD11 ILE 84 9.352 -4.660 2.742 689 HD12 ILE 84 HD12 ILE 84 10.205 -6.104 3.286 690 HD13 ILE 84 HD13 ILE 84 8.823 -5.501 4.200 691 H THR 85 H THR 85 9.633 -9.283 5.704 692 HA THR 85 HA THR 85 8.437 -11.983 5.574 693 HB THR 85 HB THR 85 10.888 -12.130 5.845 694 HG1 THR 85 HG1 THR 85 9.554 -12.596 8.295 695 HG21 THR 85 HG21 THR 85 10.469 -10.386 8.290 696 HG22 THR 85 HG22 THR 85 11.296 -9.907 6.808 697 HG23 THR 85 HG23 THR 85 11.988 -11.160 7.837 698 HA PRO 86 HA PRO 86 5.433 -10.812 8.651 699 HB2 PRO 86 HB2 PRO 86 6.597 -12.964 10.389 700 HB3 PRO 86 HB3 PRO 86 4.893 -12.597 10.040 701 HG2 PRO 86 HG2 PRO 86 6.055 -14.606 8.827 702 HG3 PRO 86 HG3 PRO 86 4.992 -13.520 7.917 703 HD2 PRO 86 HD2 PRO 86 7.960 -13.721 7.851 704 HD3 PRO 86 HD3 PRO 86 6.816 -13.280 6.555 705 H LYS 87 H LYS 87 8.718 -11.437 9.756 706 HA LYS 87 HA LYS 87 8.682 -10.068 12.225 707 HB2 LYS 87 HB2 LYS 87 10.473 -11.636 11.530 708 HB3 LYS 87 HB3 LYS 87 11.021 -10.473 10.331 709 HG2 LYS 87 HG2 LYS 87 10.783 -9.554 13.202 710 HG3 LYS 87 HG3 LYS 87 12.133 -10.597 12.767 711 HD2 LYS 87 HD2 LYS 87 12.540 -8.937 10.812 712 HD3 LYS 87 HD3 LYS 87 11.483 -7.841 11.699 713 HE2 LYS 87 HE2 LYS 87 13.933 -9.150 12.907 714 HE3 LYS 87 HE3 LYS 87 13.928 -7.530 12.208 715 HZ1 LYS 87 HZ1 LYS 87 11.968 -8.284 14.280 716 HZ2 LYS 87 HZ2 LYS 87 12.517 -6.737 13.838 717 HZ3 LYS 87 HZ3 LYS 87 13.528 -7.785 14.714 718 H MET 88 H MET 88 9.309 -8.952 8.927 719 HA MET 88 HA MET 88 10.373 -6.457 9.376 720 HB2 MET 88 HB2 MET 88 9.346 -7.827 7.149 721 HB3 MET 88 HB3 MET 88 8.376 -6.364 7.213 722 HG2 MET 88 HG2 MET 88 10.279 -5.836 5.849 723 HG3 MET 88 HG3 MET 88 10.584 -5.070 7.403 724 HE1 MET 88 HE1 MET 88 14.140 -6.024 6.492 725 HE2 MET 88 HE2 MET 88 13.227 -4.954 7.552 726 HE3 MET 88 HE3 MET 88 12.803 -5.059 5.846 727 H LYS 89 H LYS 89 9.657 -4.436 9.839 728 HA LYS 89 HA LYS 89 6.831 -4.141 10.663 729 HB2 LYS 89 HB2 LYS 89 9.299 -2.925 11.925 730 HB3 LYS 89 HB3 LYS 89 7.640 -2.538 12.380 731 HG2 LYS 89 HG2 LYS 89 7.227 -4.849 13.046 732 HG3 LYS 89 HG3 LYS 89 8.823 -5.332 12.473 733 HD2 LYS 89 HD2 LYS 89 9.033 -5.084 14.846 734 HD3 LYS 89 HD3 LYS 89 9.792 -3.658 14.142 735 HE2 LYS 89 HE2 LYS 89 8.372 -2.952 15.989 736 HE3 LYS 89 HE3 LYS 89 7.644 -2.410 14.478 737 HZ1 LYS 89 HZ1 LYS 89 6.101 -4.182 14.534 738 HZ2 LYS 89 HZ2 LYS 89 6.091 -3.492 16.088 739 HZ3 LYS 89 HZ3 LYS 89 6.911 -4.955 15.807 740 H ILE 90 H ILE 90 5.743 -2.366 9.968 741 HA ILE 90 HA ILE 90 7.243 -0.351 8.408 742 HB ILE 90 HB ILE 90 4.563 -1.533 7.596 743 HG12 ILE 90 HG12 ILE 90 6.229 -2.224 5.545 744 HG13 ILE 90 HG13 ILE 90 7.411 -2.221 6.848 745 HG21 ILE 90 HG21 ILE 90 4.587 0.659 6.757 746 HG22 ILE 90 HG22 ILE 90 5.238 -0.274 5.411 747 HG23 ILE 90 HG23 ILE 90 6.325 0.634 6.460 748 HD11 ILE 90 HD11 ILE 90 6.652 -4.422 6.914 749 HD12 ILE 90 HD12 ILE 90 5.008 -3.980 6.462 750 HD13 ILE 90 HD13 ILE 90 5.580 -3.681 8.101 751 H LEU 91 H LEU 91 6.810 1.708 8.873 752 HA LEU 91 HA LEU 91 4.999 2.372 11.004 753 HB2 LEU 91 HB2 LEU 91 5.679 4.705 10.571 754 HB3 LEU 91 HB3 LEU 91 7.050 3.639 10.819 755 HG LEU 91 HG LEU 91 6.236 3.861 7.939 756 HD11 LEU 91 HD11 LEU 91 5.803 6.191 8.812 757 HD12 LEU 91 HD12 LEU 91 7.011 6.078 7.532 758 HD13 LEU 91 HD13 LEU 91 7.520 6.283 9.209 759 HD21 LEU 91 HD21 LEU 91 8.383 2.820 8.997 760 HD22 LEU 91 HD22 LEU 91 8.947 4.481 9.149 761 HD23 LEU 91 HD23 LEU 91 8.577 3.819 7.558 762 H SER 92 H SER 92 3.012 3.248 10.935 763 HA SER 92 HA SER 92 1.847 3.866 8.291 764 HB2 SER 92 HB2 SER 92 0.606 2.268 10.538 765 HB3 SER 92 HB3 SER 92 -0.295 2.875 9.151 766 HG SER 92 HG SER 92 0.399 1.144 8.192 767 HA PRO 93 HA PRO 93 0.469 7.625 10.358 768 HB2 PRO 93 HB2 PRO 93 -1.547 8.431 8.762 769 HB3 PRO 93 HB3 PRO 93 0.148 8.485 8.230 770 HG2 PRO 93 HG2 PRO 93 -1.949 6.449 7.625 771 HG3 PRO 93 HG3 PRO 93 -0.781 7.221 6.533 772 HD2 PRO 93 HD2 PRO 93 -0.379 4.730 7.548 773 HD3 PRO 93 HD3 PRO 93 0.967 5.844 7.191 774 H GLU 94 H GLU 94 -1.194 8.369 11.745 775 HA GLU 94 HA GLU 94 -3.473 6.522 12.162 776 HB2 GLU 94 HB2 GLU 94 -1.858 7.936 14.304 777 HB3 GLU 94 HB3 GLU 94 -3.296 6.956 14.584 778 HG2 GLU 94 HG2 GLU 94 -0.713 5.948 13.334 779 HG3 GLU 94 HG3 GLU 94 -1.209 5.664 15.000 780 H ILE 95 H ILE 95 -5.364 7.464 11.944 781 HA ILE 95 HA ILE 95 -5.520 10.376 11.839 782 HB ILE 95 HB ILE 95 -7.596 8.262 11.132 783 HG12 ILE 95 HG12 ILE 95 -5.975 10.052 9.285 784 HG13 ILE 95 HG13 ILE 95 -5.464 8.420 9.706 785 HG21 ILE 95 HG21 ILE 95 -8.762 10.173 10.001 786 HG22 ILE 95 HG22 ILE 95 -7.577 11.279 10.695 787 HG23 ILE 95 HG23 ILE 95 -8.674 10.388 11.750 788 HD11 ILE 95 HD11 ILE 95 -6.764 8.609 7.529 789 HD12 ILE 95 HD12 ILE 95 -8.177 9.035 8.496 790 HD13 ILE 95 HD13 ILE 95 -7.420 7.455 8.689 791 H ASP 96 H ASP 96 -6.076 11.518 13.516 792 HA ASP 96 HA ASP 96 -8.258 10.914 15.237 793 HB2 ASP 96 HB2 ASP 96 -6.913 10.679 17.354 794 HB3 ASP 96 HB3 ASP 96 -6.686 9.337 16.244 795 H ALA 97 H ALA 97 -6.936 12.573 17.479 796 HA ALA 97 HA ALA 97 -7.722 15.140 16.632 797 HB1 ALA 97 HB1 ALA 97 -5.937 14.216 18.891 798 HB2 ALA 97 HB2 ALA 97 -7.629 14.707 18.980 799 HB3 ALA 97 HB3 ALA 97 -6.380 15.907 18.653 800 H ALA 98 H ALA 98 -4.588 13.508 16.672 801 HA ALA 98 HA ALA 98 -3.556 15.470 14.750 802 HB1 ALA 98 HB1 ALA 98 -2.214 14.669 17.333 803 HB2 ALA 98 HB2 ALA 98 -2.574 16.297 16.756 804 HB3 ALA 98 HB3 ALA 98 -1.319 15.339 15.970 805 H VAL 99 H VAL 99 -2.200 14.569 13.208 806 HA VAL 99 HA VAL 99 -2.388 11.771 12.765 807 HB VAL 99 HB VAL 99 -0.527 13.793 11.463 808 HG11 VAL 99 HG11 VAL 99 -0.357 12.187 9.619 809 HG12 VAL 99 HG12 VAL 99 -1.404 11.060 10.480 810 HG13 VAL 99 HG13 VAL 99 0.193 11.442 11.121 811 HG21 VAL 99 HG21 VAL 99 -3.267 12.754 10.656 812 HG22 VAL 99 HG22 VAL 99 -2.251 13.791 9.655 813 HG23 VAL 99 HG23 VAL 99 -2.892 14.397 11.183 814 H LYS 100 H LYS 100 -1.149 10.133 13.431 815 HA LYS 100 HA LYS 100 1.513 10.727 14.591 816 HB2 LYS 100 HB2 LYS 100 -0.632 8.976 15.803 817 HB3 LYS 100 HB3 LYS 100 1.040 9.035 16.364 818 HG2 LYS 100 HG2 LYS 100 0.816 11.459 16.786 819 HG3 LYS 100 HG3 LYS 100 -0.863 11.396 16.247 820 HD2 LYS 100 HD2 LYS 100 -1.404 9.821 18.054 821 HD3 LYS 100 HD3 LYS 100 0.276 9.839 18.588 822 HE2 LYS 100 HE2 LYS 100 -1.037 11.365 19.979 823 HE3 LYS 100 HE3 LYS 100 0.095 12.289 18.992 824 HZ1 LYS 100 HZ1 LYS 100 -1.680 12.731 17.419 825 HZ2 LYS 100 HZ2 LYS 100 -2.115 13.265 18.973 826 HZ3 LYS 100 HZ3 LYS 100 -2.768 11.825 18.352 827 H THR 101 H THR 101 3.029 9.009 14.570 828 HA THR 101 HA THR 101 2.472 7.002 12.471 829 HB THR 101 HB THR 101 4.278 8.554 11.889 830 HG1 THR 101 HG1 THR 101 5.056 6.832 11.014 831 HG21 THR 101 HG21 THR 101 5.659 7.536 14.391 832 HG22 THR 101 HG22 THR 101 4.968 9.146 14.198 833 HG23 THR 101 HG23 THR 101 6.344 8.655 13.210 834 H ALA 102 H ALA 102 2.659 4.882 12.866 835 HA ALA 102 HA ALA 102 4.009 3.938 15.288 836 HB1 ALA 102 HB1 ALA 102 2.144 2.721 16.125 837 HB2 ALA 102 HB2 ALA 102 1.188 3.053 14.680 838 HB3 ALA 102 HB3 ALA 102 1.557 4.354 15.813 839 H LEU 103 H LEU 103 4.914 1.951 15.069 840 HA LEU 103 HA LEU 103 5.144 0.855 12.425 841 HB2 LEU 103 HB2 LEU 103 6.218 -0.071 15.095 842 HB3 LEU 103 HB3 LEU 103 6.589 -0.850 13.559 843 HG LEU 103 HG LEU 103 7.092 2.098 14.072 844 HD11 LEU 103 HD11 LEU 103 9.502 1.360 14.296 845 HD12 LEU 103 HD12 LEU 103 8.917 -0.299 14.403 846 HD13 LEU 103 HD13 LEU 103 8.467 0.876 15.638 847 HD21 LEU 103 HD21 LEU 103 8.710 1.700 12.138 848 HD22 LEU 103 HD22 LEU 103 7.004 1.569 11.710 849 HD23 LEU 103 HD23 LEU 103 7.969 0.111 11.945 850 H GLN 104 H GLN 104 4.354 -1.016 11.598 851 HA GLN 104 HA GLN 104 2.357 -2.469 13.215 852 HB2 GLN 104 HB2 GLN 104 1.090 -2.881 11.204 853 HB3 GLN 104 HB3 GLN 104 1.462 -1.163 11.227 854 HG2 GLN 104 HG2 GLN 104 3.623 -2.118 9.814 855 HG3 GLN 104 HG3 GLN 104 2.384 -3.282 9.367 856 HE21 GLN 104 HE21 GLN 104 0.131 -2.031 8.852 857 HE22 GLN 104 HE22 GLN 104 0.308 -0.697 7.812 858 H ASP 105 H ASP 105 2.408 -4.698 13.213 859 HA ASP 105 HA ASP 105 4.945 -5.902 12.353 860 HB2 ASP 105 HB2 ASP 105 4.252 -6.151 14.725 861 HB3 ASP 105 HB3 ASP 105 2.809 -7.006 14.194 862 H VAL 106 H VAL 106 5.009 -6.980 10.466 863 HA VAL 106 HA VAL 106 2.656 -7.638 9.012 864 HB VAL 106 HB VAL 106 5.513 -8.669 8.654 865 HG11 VAL 106 HG11 VAL 106 4.864 -9.321 6.427 866 HG12 VAL 106 HG12 VAL 106 3.274 -8.579 6.602 867 HG13 VAL 106 HG13 VAL 106 3.677 -10.027 7.524 868 HG21 VAL 106 HG21 VAL 106 5.647 -6.914 6.914 869 HG22 VAL 106 HG22 VAL 106 5.301 -6.200 8.491 870 HG23 VAL 106 HG23 VAL 106 4.008 -6.394 7.306 871 H GLU 107 H GLU 107 1.231 -9.193 9.564 872 HA GLU 107 HA GLU 107 1.878 -11.369 11.319 873 HB2 GLU 107 HB2 GLU 107 -0.527 -10.789 9.579 874 HB3 GLU 107 HB3 GLU 107 -0.409 -12.212 10.618 875 HG2 GLU 107 HG2 GLU 107 -0.202 -10.838 12.597 876 HG3 GLU 107 HG3 GLU 107 -0.071 -9.371 11.628 877 H SER 108 H SER 108 1.371 -10.990 7.846 878 HA SER 108 HA SER 108 3.249 -12.862 7.023 879 HB2 SER 108 HB2 SER 108 1.393 -14.518 6.057 880 HB3 SER 108 HB3 SER 108 2.148 -14.768 7.631 881 HG SER 108 HG SER 108 -0.388 -13.714 6.957 882 H ILE 109 H ILE 109 2.941 -13.482 4.673 883 HA ILE 109 HA ILE 109 1.421 -11.384 3.217 884 HB ILE 109 HB ILE 109 4.107 -12.602 2.438 885 HG12 ILE 109 HG12 ILE 109 3.442 -9.727 3.170 886 HG13 ILE 109 HG13 ILE 109 4.065 -10.875 4.342 887 HG21 ILE 109 HG21 ILE 109 2.374 -10.485 1.093 888 HG22 ILE 109 HG22 ILE 109 2.713 -12.097 0.467 889 HG23 ILE 109 HG23 ILE 109 4.010 -10.910 0.590 890 HD11 ILE 109 HD11 ILE 109 5.991 -11.273 2.645 891 HD12 ILE 109 HD12 ILE 109 6.008 -9.770 3.564 892 HD13 ILE 109 HD13 ILE 109 5.449 -9.772 1.892 893 H GLU 110 H GLU 110 -0.104 -12.204 1.894 894 HA GLU 110 HA GLU 110 0.123 -15.078 1.119 895 HB2 GLU 110 HB2 GLU 110 -2.384 -13.577 1.908 896 HB3 GLU 110 HB3 GLU 110 -2.332 -15.240 1.321 897 HG2 GLU 110 HG2 GLU 110 -0.891 -15.874 3.221 898 HG3 GLU 110 HG3 GLU 110 -0.940 -14.214 3.814 899 H LYS 111 H LYS 111 0.411 -15.282 -0.978 900 HA LYS 111 HA LYS 111 -0.131 -13.244 -2.853 901 HB2 LYS 111 HB2 LYS 111 0.397 -14.932 -4.581 902 HB3 LYS 111 HB3 LYS 111 1.605 -14.879 -3.299 903 HG2 LYS 111 HG2 LYS 111 0.370 -16.792 -2.197 904 HG3 LYS 111 HG3 LYS 111 -0.606 -16.920 -3.653 905 HD2 LYS 111 HD2 LYS 111 1.148 -18.491 -3.995 906 HD3 LYS 111 HD3 LYS 111 1.624 -17.083 -4.943 907 HE2 LYS 111 HE2 LYS 111 3.113 -16.332 -3.160 908 HE3 LYS 111 HE3 LYS 111 2.582 -17.656 -2.122 909 HZ1 LYS 111 HZ1 LYS 111 4.170 -17.794 -4.613 910 HZ2 LYS 111 HZ2 LYS 111 3.358 -19.154 -3.997 911 HZ3 LYS 111 HZ3 LYS 111 4.564 -18.392 -3.076 912 H LEU 112 H LEU 112 -1.898 -12.641 -3.763 913 HA LEU 112 HA LEU 112 -4.298 -14.334 -3.664 914 HB2 LEU 112 HB2 LEU 112 -3.836 -11.485 -3.419 915 HB3 LEU 112 HB3 LEU 112 -4.914 -11.753 -4.780 916 HG LEU 112 HG LEU 112 -6.302 -13.237 -3.219 917 HD11 LEU 112 HD11 LEU 112 -4.825 -11.774 -1.022 918 HD12 LEU 112 HD12 LEU 112 -4.362 -13.395 -1.539 919 HD13 LEU 112 HD13 LEU 112 -5.968 -13.108 -0.871 920 HD21 LEU 112 HD21 LEU 112 -6.861 -10.864 -3.856 921 HD22 LEU 112 HD22 LEU 112 -6.029 -10.326 -2.397 922 HD23 LEU 112 HD23 LEU 112 -7.474 -11.330 -2.269 923 H GLY 113 H GLY 113 -1.892 -13.208 -5.858 924 HA2 GLY 113 HA2 GLY 113 -1.503 -13.951 -8.018 925 HA3 GLY 113 HA3 GLY 113 -3.094 -14.677 -8.033 926 H VAL 114 H VAL 114 -3.185 -13.789 -10.217 927 HA VAL 114 HA VAL 114 -3.166 -11.025 -10.733 928 HB VAL 114 HB VAL 114 -4.394 -11.596 -12.833 929 HG11 VAL 114 HG11 VAL 114 -2.064 -13.414 -12.229 930 HG12 VAL 114 HG12 VAL 114 -1.915 -11.678 -12.514 931 HG13 VAL 114 HG13 VAL 114 -2.516 -12.736 -13.797 932 HG21 VAL 114 HG21 VAL 114 -4.176 -14.436 -11.766 933 HG22 VAL 114 HG22 VAL 114 -4.803 -13.964 -13.346 934 HG23 VAL 114 HG23 VAL 114 -5.684 -13.530 -11.879 935 H ASN 115 H ASN 115 -4.655 -9.505 -10.852 936 HA ASN 115 HA ASN 115 -7.452 -10.013 -10.266 937 HB2 ASN 115 HB2 ASN 115 -5.503 -8.845 -8.349 938 HB3 ASN 115 HB3 ASN 115 -7.176 -8.266 -8.326 939 HD21 ASN 115 HD21 ASN 115 -5.791 -9.854 -6.215 940 HD22 ASN 115 HD22 ASN 115 -6.670 -11.304 -6.056 941 H HIS 116 H HIS 116 -8.569 -7.771 -9.985 942 HA HIS 116 HA HIS 116 -7.729 -6.079 -12.216 943 HB2 HIS 116 HB2 HIS 116 -10.163 -6.056 -10.415 944 HB3 HIS 116 HB3 HIS 116 -9.881 -4.877 -11.696 945 HD2 HIS 116 HD2 HIS 116 -10.546 -5.770 -14.251 946 HE1 HIS 116 HE1 HIS 116 -11.259 -9.808 -13.247 947 HE2 HIS 116 HE2 HIS 116 -11.395 -8.085 -15.108 948 H VAL 117 H VAL 117 -6.041 -4.817 -11.640 949 HA VAL 117 HA VAL 117 -6.073 -3.490 -9.022 950 HB VAL 117 HB VAL 117 -3.640 -2.876 -9.694 951 HG11 VAL 117 HG11 VAL 117 -4.654 -5.589 -8.900 952 HG12 VAL 117 HG12 VAL 117 -3.816 -4.365 -7.942 953 HG13 VAL 117 HG13 VAL 117 -2.917 -5.327 -9.108 954 HG21 VAL 117 HG21 VAL 117 -4.159 -3.727 -12.137 955 HG22 VAL 117 HG22 VAL 117 -3.844 -5.320 -11.463 956 HG23 VAL 117 HG23 VAL 117 -2.585 -4.086 -11.426 957 H TYR 118 H TYR 118 -5.778 -1.359 -8.696 958 HA TYR 118 HA TYR 118 -5.728 0.468 -10.987 959 HB2 TYR 118 HB2 TYR 118 -7.681 0.834 -8.667 960 HB3 TYR 118 HB3 TYR 118 -7.526 1.823 -10.111 961 HD1 TYR 118 HD1 TYR 118 -8.909 -1.199 -8.704 962 HD2 TYR 118 HD2 TYR 118 -8.193 0.897 -12.327 963 HE1 TYR 118 HE1 TYR 118 -10.538 -2.679 -9.842 964 HE2 TYR 118 HE2 TYR 118 -9.824 -0.558 -13.515 965 HH TYR 118 HH TYR 118 -11.992 -2.019 -12.573 966 H ASP 119 H ASP 119 -4.726 2.479 -10.453 967 HA ASP 119 HA ASP 119 -3.980 3.122 -7.755 968 HB2 ASP 119 HB2 ASP 119 -2.398 1.231 -8.506 969 HB3 ASP 119 HB3 ASP 119 -1.645 2.458 -9.533 970 H ILE 120 H ILE 120 -2.547 5.087 -7.646 971 HA ILE 120 HA ILE 120 -2.768 6.746 -10.087 972 HB ILE 120 HB ILE 120 -3.541 8.665 -8.923 973 HG12 ILE 120 HG12 ILE 120 -2.172 8.666 -6.912 974 HG13 ILE 120 HG13 ILE 120 -3.857 8.775 -6.426 975 HG21 ILE 120 HG21 ILE 120 -5.424 7.381 -9.300 976 HG22 ILE 120 HG22 ILE 120 -5.587 7.822 -7.605 977 HG23 ILE 120 HG23 ILE 120 -5.024 6.210 -8.045 978 HD11 ILE 120 HD11 ILE 120 -3.040 7.139 -4.940 979 HD12 ILE 120 HD12 ILE 120 -1.982 6.425 -6.156 980 HD13 ILE 120 HD13 ILE 120 -3.722 6.151 -6.236 981 H GLU 121 H GLU 121 -1.386 8.733 -9.972 982 HA GLU 121 HA GLU 121 1.231 8.099 -8.753 983 HB2 GLU 121 HB2 GLU 121 0.569 9.673 -11.254 984 HB3 GLU 121 HB3 GLU 121 2.187 9.520 -10.569 985 HG2 GLU 121 HG2 GLU 121 2.039 7.055 -10.799 986 HG3 GLU 121 HG3 GLU 121 0.443 7.225 -11.525 987 H VAL 122 H VAL 122 2.471 9.919 -7.919 988 HA VAL 122 HA VAL 122 0.740 12.199 -7.134 989 HB VAL 122 HB VAL 122 2.024 12.350 -5.045 990 HG11 VAL 122 HG11 VAL 122 -0.072 11.065 -5.111 991 HG12 VAL 122 HG12 VAL 122 1.067 10.335 -3.979 992 HG13 VAL 122 HG13 VAL 122 0.823 9.617 -5.572 993 HG21 VAL 122 HG21 VAL 122 3.655 10.739 -4.413 994 HG22 VAL 122 HG22 VAL 122 4.062 11.171 -6.073 995 HG23 VAL 122 HG23 VAL 122 3.224 9.656 -5.741 996 H GLU 123 H GLU 123 1.681 14.225 -6.854 997 HA GLU 123 HA GLU 123 3.293 14.991 -8.997 998 HB2 GLU 123 HB2 GLU 123 2.450 16.487 -6.534 999 HB3 GLU 123 HB3 GLU 123 3.351 17.239 -7.849 1000 HG2 GLU 123 HG2 GLU 123 1.603 16.691 -9.436 1001 HG3 GLU 123 HG3 GLU 123 0.724 15.770 -8.218 1002 H HIS 124 H HIS 124 4.354 14.711 -5.536 1003 HA HIS 124 HA HIS 124 7.052 15.522 -6.488 1004 HB2 HIS 124 HB2 HIS 124 5.720 16.966 -4.831 1005 HB3 HIS 124 HB3 HIS 124 6.143 15.743 -3.631 1006 HD2 HIS 124 HD2 HIS 124 7.714 18.830 -5.264 1007 HE1 HIS 124 HE1 HIS 124 10.891 16.748 -3.426 1008 HE2 HIS 124 HE2 HIS 124 10.217 18.932 -4.537 1009 H ASN 125 H ASN 125 5.853 13.593 -3.669 1010 HA ASN 125 HA ASN 125 8.405 12.363 -3.375 1011 HB2 ASN 125 HB2 ASN 125 6.841 12.793 -1.497 1012 HB3 ASN 125 HB3 ASN 125 5.831 11.453 -2.077 1013 HD21 ASN 125 HD21 ASN 125 6.248 9.877 -0.469 1014 HD22 ASN 125 HD22 ASN 125 7.801 9.306 -0.091 1015 H HIS 126 H HIS 126 5.800 11.548 -5.404 1016 HA HIS 126 HA HIS 126 5.393 9.765 -6.821 1017 HB2 HIS 126 HB2 HIS 126 8.318 9.191 -6.278 1018 HB3 HIS 126 HB3 HIS 126 7.357 8.424 -7.541 1019 HD2 HIS 126 HD2 HIS 126 6.872 10.041 -9.806 1020 HE1 HIS 126 HE1 HIS 126 9.027 13.409 -8.456 1021 HE2 HIS 126 HE2 HIS 126 7.833 12.382 -10.448 1022 H ASN 127 H ASN 127 4.997 9.458 -3.889 1023 HA ASN 127 HA ASN 127 4.760 6.534 -3.856 1024 HB2 ASN 127 HB2 ASN 127 5.899 8.160 -1.575 1025 HB3 ASN 127 HB3 ASN 127 5.521 6.439 -1.519 1026 HD21 ASN 127 HD21 ASN 127 8.198 8.087 -1.487 1027 HD22 ASN 127 HD22 ASN 127 9.152 7.269 -2.626 1028 H PHE 128 H PHE 128 3.170 5.759 -2.307 1029 HA PHE 128 HA PHE 128 1.346 7.743 -1.190 1030 HB2 PHE 128 HB2 PHE 128 -0.633 6.848 -2.297 1031 HB3 PHE 128 HB3 PHE 128 0.528 7.363 -3.517 1032 HD1 PHE 128 HD1 PHE 128 -1.155 4.501 -1.957 1033 HD2 PHE 128 HD2 PHE 128 1.805 5.682 -4.838 1034 HE1 PHE 128 HE1 PHE 128 -1.171 2.215 -2.909 1035 HE2 PHE 128 HE2 PHE 128 1.785 3.389 -5.790 1036 HZ PHE 128 HZ PHE 128 0.297 1.657 -4.826 1037 H VAL 129 H VAL 129 -0.323 6.746 0.207 1038 HA VAL 129 HA VAL 129 0.709 4.268 1.462 1039 HB VAL 129 HB VAL 129 -0.980 6.482 2.693 1040 HG11 VAL 129 HG11 VAL 129 -0.404 5.298 4.844 1041 HG12 VAL 129 HG12 VAL 129 0.249 3.974 3.880 1042 HG13 VAL 129 HG13 VAL 129 -1.466 4.375 3.782 1043 HG21 VAL 129 HG21 VAL 129 1.357 7.180 2.240 1044 HG22 VAL 129 HG22 VAL 129 1.946 5.760 3.107 1045 HG23 VAL 129 HG23 VAL 129 1.067 7.021 3.972 1046 H ALA 130 H ALA 130 -0.465 2.504 1.136 1047 HA ALA 130 HA ALA 130 -3.300 2.766 0.399 1048 HB1 ALA 130 HB1 ALA 130 -1.483 1.497 -1.020 1049 HB2 ALA 130 HB2 ALA 130 -3.112 0.839 -0.849 1050 HB3 ALA 130 HB3 ALA 130 -1.796 0.202 0.137 1051 H ASN 131 H ASN 131 -4.721 2.394 1.934 1052 HA ASN 131 HA ASN 131 -5.681 1.706 3.886 1053 HB2 ASN 131 HB2 ASN 131 -5.585 -0.379 2.386 1054 HB3 ASN 131 HB3 ASN 131 -4.269 -0.905 3.427 1055 HD21 ASN 131 HD21 ASN 131 -5.614 -2.701 4.229 1056 HD22 ASN 131 HD22 ASN 131 -6.865 -2.416 5.341 1057 H GLY 132 H GLY 132 -3.200 3.075 4.278 1058 HA2 GLY 132 HA2 GLY 132 -2.145 3.691 6.278 1059 HA3 GLY 132 HA3 GLY 132 -2.580 2.137 6.968 1060 H LEU 133 H LEU 133 -1.297 1.216 4.124 1061 HA LEU 133 HA LEU 133 1.404 0.889 5.277 1062 HB2 LEU 133 HB2 LEU 133 0.192 -1.204 4.757 1063 HB3 LEU 133 HB3 LEU 133 0.012 -0.698 3.083 1064 HG LEU 133 HG LEU 133 2.525 -0.643 2.888 1065 HD11 LEU 133 HD11 LEU 133 2.387 -1.916 5.643 1066 HD12 LEU 133 HD12 LEU 133 3.104 -0.352 5.250 1067 HD13 LEU 133 HD13 LEU 133 3.837 -1.836 4.641 1068 HD21 LEU 133 HD21 LEU 133 1.356 -2.597 2.079 1069 HD22 LEU 133 HD22 LEU 133 1.195 -3.240 3.714 1070 HD23 LEU 133 HD23 LEU 133 2.783 -3.158 2.951 1071 H LEU 134 H LEU 134 3.060 2.022 4.435 1072 HA LEU 134 HA LEU 134 2.680 3.708 2.151 1073 HB2 LEU 134 HB2 LEU 134 4.071 4.505 3.979 1074 HB3 LEU 134 HB3 LEU 134 5.160 3.133 3.810 1075 HG LEU 134 HG LEU 134 5.813 3.940 1.542 1076 HD11 LEU 134 HD11 LEU 134 3.789 6.102 2.149 1077 HD12 LEU 134 HD12 LEU 134 3.960 5.124 0.690 1078 HD13 LEU 134 HD13 LEU 134 5.120 6.405 1.029 1079 HD21 LEU 134 HD21 LEU 134 7.323 5.552 2.325 1080 HD22 LEU 134 HD22 LEU 134 6.835 4.810 3.846 1081 HD23 LEU 134 HD23 LEU 134 6.127 6.334 3.350 1082 H VAL 135 H VAL 135 2.826 3.176 0.139 1083 HA VAL 135 HA VAL 135 4.590 0.952 -0.711 1084 HB VAL 135 HB VAL 135 1.883 1.776 -1.839 1085 HG11 VAL 135 HG11 VAL 135 3.584 -0.593 -2.654 1086 HG12 VAL 135 HG12 VAL 135 3.537 0.923 -3.547 1087 HG13 VAL 135 HG13 VAL 135 2.077 -0.053 -3.389 1088 HG21 VAL 135 HG21 VAL 135 1.078 -0.341 -0.972 1089 HG22 VAL 135 HG22 VAL 135 1.869 0.518 0.348 1090 HG23 VAL 135 HG23 VAL 135 2.703 -0.805 -0.468 1091 H HIS 136 H HIS 136 6.049 1.406 -2.271 1092 HA HIS 136 HA HIS 136 6.448 4.090 -3.178 1093 HB2 HIS 136 HB2 HIS 136 8.304 2.395 -2.817 1094 HB3 HIS 136 HB3 HIS 136 7.763 1.602 -4.283 1095 HD2 HIS 136 HD2 HIS 136 9.913 4.616 -3.195 1096 HE1 HIS 136 HE1 HIS 136 9.422 4.958 -7.373 1097 HE2 HIS 136 HE2 HIS 136 10.674 5.862 -5.356 1098 H ASN 137 H ASN 137 6.121 5.000 -5.181 1099 HA ASN 137 HA ASN 137 4.474 3.443 -7.080 1100 HB2 ASN 137 HB2 ASN 137 3.605 5.636 -5.803 1101 HB3 ASN 137 HB3 ASN 137 4.399 6.418 -7.165 1102 HD21 ASN 137 HD21 ASN 137 3.864 4.810 -9.319 1103 HD22 ASN 137 HD22 ASN 137 2.193 4.612 -9.537 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 3.398 -1.719 -6.499 2 H2 GLU 1 HT2 GLU 1 2.354 -0.572 -5.806 3 H3 GLU 1 HT3 GLU 1 4.026 -0.275 -5.872 4 HA GLU 1 HA GLU 1 3.310 0.995 -7.617 5 HB2 GLU 1 HB2 GLU 1 4.974 -0.786 -8.311 6 HB3 GLU 1 HB3 GLU 1 3.612 -1.716 -8.938 7 HG2 GLU 1 HG2 GLU 1 3.010 0.131 -10.435 8 HG3 GLU 1 HG3 GLU 1 4.327 1.107 -9.786 9 H ALA 2 H ALA 2 1.449 -2.006 -7.352 10 HA ALA 2 HA ALA 2 -0.875 -0.625 -8.533 11 HB1 ALA 2 HB1 ALA 2 -1.382 -2.337 -9.990 12 HB2 ALA 2 HB2 ALA 2 -0.508 -3.543 -9.044 13 HB3 ALA 2 HB3 ALA 2 0.381 -2.387 -10.037 14 H LEU 3 H LEU 3 -2.827 -0.990 -7.539 15 HA LEU 3 HA LEU 3 -2.815 -2.868 -5.235 16 HB2 LEU 3 HB2 LEU 3 -4.414 -0.298 -5.541 17 HB3 LEU 3 HB3 LEU 3 -4.466 -1.375 -4.146 18 HG LEU 3 HG LEU 3 -3.059 0.425 -3.475 19 HD11 LEU 3 HD11 LEU 3 -2.037 -2.013 -3.350 20 HD12 LEU 3 HD12 LEU 3 -1.132 -0.607 -2.801 21 HD13 LEU 3 HD13 LEU 3 -0.797 -1.310 -4.383 22 HD21 LEU 3 HD21 LEU 3 -1.527 1.576 -4.817 23 HD22 LEU 3 HD22 LEU 3 -2.784 1.162 -5.975 24 HD23 LEU 3 HD23 LEU 3 -1.294 0.219 -5.911 25 H THR 4 H THR 4 -4.634 -4.198 -4.958 26 HA THR 4 HA THR 4 -6.075 -4.852 -7.332 27 HB THR 4 HB THR 4 -7.366 -6.408 -5.921 28 HG1 THR 4 HG1 THR 4 -7.658 -5.902 -3.926 29 HG21 THR 4 HG21 THR 4 -4.510 -6.413 -4.940 30 HG22 THR 4 HG22 THR 4 -4.943 -6.865 -6.588 31 HG23 THR 4 HG23 THR 4 -5.568 -7.794 -5.225 32 H GLY 5 H GLY 5 -8.420 -4.710 -7.654 33 HA2 GLY 5 HA2 GLY 5 -9.405 -2.121 -7.435 34 HA3 GLY 5 HA3 GLY 5 -10.388 -3.530 -7.807 35 H ASP 6 H ASP 6 -10.032 -4.929 -5.372 36 HA ASP 6 HA ASP 6 -12.007 -3.655 -3.741 37 HB2 ASP 6 HB2 ASP 6 -10.291 -6.104 -3.289 38 HB3 ASP 6 HB3 ASP 6 -11.496 -5.538 -2.131 39 H ALA 7 H ALA 7 -8.535 -3.595 -3.764 40 HA ALA 7 HA ALA 7 -8.014 -2.939 -1.075 41 HB1 ALA 7 HB1 ALA 7 -6.284 -3.644 -2.718 42 HB2 ALA 7 HB2 ALA 7 -5.850 -2.174 -1.844 43 HB3 ALA 7 HB3 ALA 7 -6.434 -2.072 -3.503 44 H LEU 8 H LEU 8 -7.508 -0.932 -0.101 45 HA LEU 8 HA LEU 8 -8.755 1.419 -1.392 46 HB2 LEU 8 HB2 LEU 8 -9.536 2.153 0.815 47 HB3 LEU 8 HB3 LEU 8 -10.258 0.617 0.357 48 HG LEU 8 HG LEU 8 -7.698 0.532 1.971 49 HD11 LEU 8 HD11 LEU 8 -10.368 0.891 3.343 50 HD12 LEU 8 HD12 LEU 8 -9.288 2.245 3.024 51 HD13 LEU 8 HD13 LEU 8 -8.754 0.919 4.055 52 HD21 LEU 8 HD21 LEU 8 -8.601 -1.608 1.317 53 HD22 LEU 8 HD22 LEU 8 -10.233 -1.132 1.774 54 HD23 LEU 8 HD23 LEU 8 -9.017 -1.414 3.017 55 H ILE 9 H ILE 9 -7.834 3.405 -1.029 56 HA ILE 9 HA ILE 9 -5.183 3.442 0.260 57 HB ILE 9 HB ILE 9 -5.999 4.886 -2.281 58 HG12 ILE 9 HG12 ILE 9 -3.961 2.651 -1.925 59 HG13 ILE 9 HG13 ILE 9 -5.615 2.372 -2.452 60 HG21 ILE 9 HG21 ILE 9 -3.797 5.803 -2.360 61 HG22 ILE 9 HG22 ILE 9 -3.189 4.679 -1.152 62 HG23 ILE 9 HG23 ILE 9 -4.256 5.993 -0.669 63 HD11 ILE 9 HD11 ILE 9 -5.291 3.514 -4.499 64 HD12 ILE 9 HD12 ILE 9 -3.775 2.640 -4.284 65 HD13 ILE 9 HD13 ILE 9 -3.859 4.359 -3.905 66 H LEU 10 H LEU 10 -4.717 5.157 1.551 67 HA LEU 10 HA LEU 10 -6.797 6.737 2.646 68 HB2 LEU 10 HB2 LEU 10 -3.781 7.022 2.729 69 HB3 LEU 10 HB3 LEU 10 -4.880 8.038 3.659 70 HG LEU 10 HG LEU 10 -4.902 5.011 3.834 71 HD11 LEU 10 HD11 LEU 10 -3.590 6.921 5.794 72 HD12 LEU 10 HD12 LEU 10 -2.689 6.101 4.519 73 HD13 LEU 10 HD13 LEU 10 -3.495 5.160 5.772 74 HD21 LEU 10 HD21 LEU 10 -5.958 5.688 6.117 75 HD22 LEU 10 HD22 LEU 10 -6.951 5.929 4.681 76 HD23 LEU 10 HD23 LEU 10 -6.126 7.298 5.420 77 H SER 11 H SER 11 -7.536 8.771 2.123 78 HA SER 11 HA SER 11 -6.100 10.285 0.074 79 HB2 SER 11 HB2 SER 11 -8.222 10.720 -1.098 80 HB3 SER 11 HB3 SER 11 -7.761 9.026 -1.159 81 HG SER 11 HG SER 11 -9.262 8.608 0.450 82 H ASP 12 H ASP 12 -7.652 12.405 -0.300 83 HA ASP 12 HA ASP 12 -7.025 14.145 1.687 84 HB2 ASP 12 HB2 ASP 12 -8.662 15.684 0.731 85 HB3 ASP 12 HB3 ASP 12 -7.844 14.795 -0.556 86 H ARG 13 H ARG 13 -10.087 12.299 1.433 87 HA ARG 13 HA ARG 13 -10.940 13.460 3.997 88 HB2 ARG 13 HB2 ARG 13 -13.130 12.491 3.579 89 HB3 ARG 13 HB3 ARG 13 -12.593 13.452 2.206 90 HG2 ARG 13 HG2 ARG 13 -11.866 11.378 1.058 91 HG3 ARG 13 HG3 ARG 13 -12.468 10.431 2.424 92 HD2 ARG 13 HD2 ARG 13 -14.723 11.316 2.076 93 HD3 ARG 13 HD3 ARG 13 -14.145 12.310 0.744 94 HE ARG 13 HE ARG 13 -13.501 9.594 0.244 95 HH11 ARG 13 HH11 ARG 13 -16.313 11.703 0.417 96 HH12 ARG 13 HH12 ARG 13 -17.233 10.792 -0.735 97 HH21 ARG 13 HH21 ARG 13 -14.742 8.459 -1.318 98 HH22 ARG 13 HH22 ARG 13 -16.347 8.971 -1.704 99 H GLY 14 H GLY 14 -9.441 10.563 2.928 100 HA2 GLY 14 HA2 GLY 14 -8.581 9.391 5.078 101 HA3 GLY 14 HA3 GLY 14 -10.292 9.120 5.370 102 H TRP 15 H TRP 15 -9.761 6.842 5.398 103 HA TRP 15 HA TRP 15 -8.652 5.396 3.245 104 HB2 TRP 15 HB2 TRP 15 -10.377 4.736 5.607 105 HB3 TRP 15 HB3 TRP 15 -10.319 3.549 4.314 106 HD1 TRP 15 HD1 TRP 15 -7.474 3.255 3.472 107 HE1 TRP 15 HE1 TRP 15 -5.570 2.608 5.082 108 HE3 TRP 15 HE3 TRP 15 -9.578 4.608 7.931 109 HZ2 TRP 15 HZ2 TRP 15 -5.011 2.652 7.880 110 HZ3 TRP 15 HZ3 TRP 15 -8.333 4.289 10.053 111 HH2 TRP 15 HH2 TRP 15 -6.053 3.313 10.030 112 H LEU 16 H LEU 16 -9.371 5.189 1.242 113 HA LEU 16 HA LEU 16 -12.240 4.826 0.761 114 HB2 LEU 16 HB2 LEU 16 -10.804 7.245 0.103 115 HB3 LEU 16 HB3 LEU 16 -11.235 6.452 -1.400 116 HG LEU 16 HG LEU 16 -12.979 8.025 -0.754 117 HD11 LEU 16 HD11 LEU 16 -14.027 5.227 -0.244 118 HD12 LEU 16 HD12 LEU 16 -13.617 5.850 -1.837 119 HD13 LEU 16 HD13 LEU 16 -14.923 6.590 -0.914 120 HD21 LEU 16 HD21 LEU 16 -12.437 7.750 1.774 121 HD22 LEU 16 HD22 LEU 16 -13.566 6.395 1.728 122 HD23 LEU 16 HD23 LEU 16 -14.123 8.018 1.328 123 H ARG 17 H ARG 17 -12.707 3.823 -1.327 124 HA ARG 17 HA ARG 17 -10.906 1.747 -1.970 125 HB2 ARG 17 HB2 ARG 17 -13.384 2.804 -3.289 126 HB3 ARG 17 HB3 ARG 17 -12.417 1.575 -4.094 127 HG2 ARG 17 HG2 ARG 17 -13.352 1.261 -1.231 128 HG3 ARG 17 HG3 ARG 17 -14.359 0.765 -2.592 129 HD2 ARG 17 HD2 ARG 17 -12.442 -0.635 -3.416 130 HD3 ARG 17 HD3 ARG 17 -11.578 -0.246 -1.933 131 HE ARG 17 HE ARG 17 -13.007 -1.688 -0.762 132 HH11 ARG 17 HH11 ARG 17 -14.187 -1.257 -4.046 133 HH12 ARG 17 HH12 ARG 17 -15.348 -2.536 -3.925 134 HH21 ARG 17 HH21 ARG 17 -14.543 -3.339 -0.644 135 HH22 ARG 17 HH22 ARG 17 -15.543 -3.704 -2.011 136 H ILE 18 H ILE 18 -9.581 1.399 -3.641 137 HA ILE 18 HA ILE 18 -7.843 3.371 -4.427 138 HB ILE 18 HB ILE 18 -7.072 1.737 -6.175 139 HG12 ILE 18 HG12 ILE 18 -8.334 -0.639 -5.680 140 HG13 ILE 18 HG13 ILE 18 -9.695 0.420 -5.396 141 HG21 ILE 18 HG21 ILE 18 -7.358 1.142 -3.253 142 HG22 ILE 18 HG22 ILE 18 -5.917 1.344 -4.243 143 HG23 ILE 18 HG23 ILE 18 -6.792 -0.168 -4.288 144 HD11 ILE 18 HD11 ILE 18 -9.918 0.052 -7.656 145 HD12 ILE 18 HD12 ILE 18 -8.182 -0.126 -7.883 146 HD13 ILE 18 HD13 ILE 18 -8.879 1.480 -7.717 147 H ASP 19 H ASP 19 -10.813 2.434 -6.089 148 HA ASP 19 HA ASP 19 -10.087 4.214 -8.335 149 HB2 ASP 19 HB2 ASP 19 -11.663 2.969 -9.690 150 HB3 ASP 19 HB3 ASP 19 -10.597 1.856 -8.866 151 H ASP 20 H ASP 20 -11.358 5.006 -5.629 152 HA ASP 20 HA ASP 20 -13.942 6.041 -6.515 153 HB2 ASP 20 HB2 ASP 20 -12.581 6.009 -3.838 154 HB3 ASP 20 HB3 ASP 20 -14.007 6.998 -4.132 155 HA PRO 21 HA PRO 21 -13.118 10.182 -7.759 156 HB2 PRO 21 HB2 PRO 21 -14.630 11.121 -5.347 157 HB3 PRO 21 HB3 PRO 21 -14.763 11.652 -7.041 158 HG2 PRO 21 HG2 PRO 21 -16.569 10.034 -6.075 159 HG3 PRO 21 HG3 PRO 21 -15.895 9.721 -7.687 160 HD2 PRO 21 HD2 PRO 21 -15.327 8.304 -5.109 161 HD3 PRO 21 HD3 PRO 21 -15.437 7.644 -6.761 162 H THR 22 H THR 22 -12.706 9.546 -4.307 163 HA THR 22 HA THR 22 -11.149 11.647 -3.390 164 HB THR 22 HB THR 22 -9.920 9.561 -2.182 165 HG1 THR 22 HG1 THR 22 -11.150 8.175 -3.724 166 HG21 THR 22 HG21 THR 22 -11.652 9.642 -0.469 167 HG22 THR 22 HG22 THR 22 -12.791 10.332 -1.627 168 HG23 THR 22 HG23 THR 22 -11.388 11.264 -1.109 169 H LEU 23 H LEU 23 -9.807 8.635 -4.778 170 HA LEU 23 HA LEU 23 -7.180 9.636 -5.100 171 HB2 LEU 23 HB2 LEU 23 -8.612 7.307 -6.386 172 HB3 LEU 23 HB3 LEU 23 -6.924 7.691 -6.691 173 HG LEU 23 HG LEU 23 -6.847 7.720 -3.973 174 HD11 LEU 23 HD11 LEU 23 -8.232 5.701 -3.231 175 HD12 LEU 23 HD12 LEU 23 -9.173 5.964 -4.700 176 HD13 LEU 23 HD13 LEU 23 -9.089 7.225 -3.471 177 HD21 LEU 23 HD21 LEU 23 -5.662 5.718 -4.128 178 HD22 LEU 23 HD22 LEU 23 -5.670 6.182 -5.817 179 HD23 LEU 23 HD23 LEU 23 -6.812 4.979 -5.236 180 H GLN 24 H GLN 24 -9.966 9.524 -7.237 181 HA GLN 24 HA GLN 24 -8.725 10.015 -9.687 182 HB2 GLN 24 HB2 GLN 24 -11.493 10.871 -8.830 183 HB3 GLN 24 HB3 GLN 24 -10.925 10.751 -10.486 184 HG2 GLN 24 HG2 GLN 24 -11.107 8.446 -8.535 185 HG3 GLN 24 HG3 GLN 24 -12.245 8.762 -9.837 186 HE21 GLN 24 HE21 GLN 24 -10.256 6.465 -9.258 187 HE22 GLN 24 HE22 GLN 24 -9.429 6.298 -10.726 188 H GLU 25 H GLU 25 -10.074 12.402 -7.351 189 HA GLU 25 HA GLU 25 -8.710 14.537 -8.892 190 HB2 GLU 25 HB2 GLU 25 -11.541 14.521 -7.866 191 HB3 GLU 25 HB3 GLU 25 -10.706 15.992 -8.367 192 HG2 GLU 25 HG2 GLU 25 -10.384 15.126 -10.609 193 HG3 GLU 25 HG3 GLU 25 -10.995 13.545 -10.138 194 H CYS 26 H CYS 26 -8.800 13.123 -5.853 195 HA CYS 26 HA CYS 26 -8.077 15.694 -4.577 196 HB2 CYS 26 HB2 CYS 26 -9.381 13.297 -3.261 197 HB3 CYS 26 HB3 CYS 26 -8.768 14.715 -2.437 198 HG CYS 26 HG CYS 26 -11.220 15.305 -2.875 199 H ARG 27 H ARG 27 -6.485 15.646 -2.971 200 HA ARG 27 HA ARG 27 -4.166 14.279 -3.773 201 HB2 ARG 27 HB2 ARG 27 -4.655 15.693 -1.137 202 HB3 ARG 27 HB3 ARG 27 -3.093 15.256 -1.806 203 HG2 ARG 27 HG2 ARG 27 -3.075 17.350 -2.717 204 HG3 ARG 27 HG3 ARG 27 -4.174 16.698 -3.920 205 HD2 ARG 27 HD2 ARG 27 -5.044 18.794 -2.953 206 HD3 ARG 27 HD3 ARG 27 -6.110 17.452 -2.575 207 HE ARG 27 HE ARG 27 -5.539 17.684 -0.318 208 HH11 ARG 27 HH11 ARG 27 -3.355 19.621 -2.274 209 HH12 ARG 27 HH12 ARG 27 -2.660 20.432 -0.911 210 HH21 ARG 27 HH21 ARG 27 -4.604 18.766 1.432 211 HH22 ARG 27 HH22 ARG 27 -3.364 19.948 1.174 212 H VAL 28 H VAL 28 -2.869 12.767 -2.636 213 HA VAL 28 HA VAL 28 -4.406 11.006 -0.810 214 HB VAL 28 HB VAL 28 -3.168 9.070 -1.736 215 HG11 VAL 28 HG11 VAL 28 -5.353 9.412 -2.596 216 HG12 VAL 28 HG12 VAL 28 -4.338 9.152 -4.014 217 HG13 VAL 28 HG13 VAL 28 -4.842 10.785 -3.574 218 HG21 VAL 28 HG21 VAL 28 -1.836 9.287 -3.726 219 HG22 VAL 28 HG22 VAL 28 -1.240 10.508 -2.602 220 HG23 VAL 28 HG23 VAL 28 -2.305 10.975 -3.930 221 H LEU 29 H LEU 29 -3.246 9.777 0.727 222 HA LEU 29 HA LEU 29 -1.329 11.353 2.118 223 HB2 LEU 29 HB2 LEU 29 -3.200 9.686 2.939 224 HB3 LEU 29 HB3 LEU 29 -1.909 8.497 2.845 225 HG LEU 29 HG LEU 29 -1.345 11.106 4.276 226 HD11 LEU 29 HD11 LEU 29 -3.592 10.119 5.072 227 HD12 LEU 29 HD12 LEU 29 -2.371 10.447 6.301 228 HD13 LEU 29 HD13 LEU 29 -2.635 8.796 5.738 229 HD21 LEU 29 HD21 LEU 29 -0.406 8.235 4.438 230 HD22 LEU 29 HD22 LEU 29 -0.090 9.347 5.765 231 HD23 LEU 29 HD23 LEU 29 0.555 9.684 4.164 232 H SER 30 H SER 30 0.820 11.075 2.441 233 HA SER 30 HA SER 30 2.268 8.737 1.502 234 HB2 SER 30 HB2 SER 30 3.627 9.865 -0.118 235 HB3 SER 30 HB3 SER 30 1.953 10.194 -0.530 236 HG SER 30 HG SER 30 3.377 12.061 -0.497 237 H TYR 31 H TYR 31 4.761 9.179 1.863 238 HA TYR 31 HA TYR 31 5.041 10.759 4.372 239 HB2 TYR 31 HB2 TYR 31 5.356 8.192 4.537 240 HB3 TYR 31 HB3 TYR 31 6.789 8.428 3.546 241 HD1 TYR 31 HD1 TYR 31 5.230 9.224 6.810 242 HD2 TYR 31 HD2 TYR 31 8.786 9.468 4.410 243 HE1 TYR 31 HE1 TYR 31 6.536 9.889 8.811 244 HE2 TYR 31 HE2 TYR 31 10.090 10.132 6.413 245 HH TYR 31 HH TYR 31 8.942 9.788 9.551 246 H ASN 32 H ASN 32 5.771 12.691 3.527 247 HA ASN 32 HA ASN 32 7.531 12.712 1.301 248 HB2 ASN 32 HB2 ASN 32 5.863 14.534 2.361 249 HB3 ASN 32 HB3 ASN 32 7.376 15.146 2.985 250 HD21 ASN 32 HD21 ASN 32 6.898 17.022 1.428 251 HD22 ASN 32 HD22 ASN 32 7.350 16.854 -0.201 252 H GLU 33 H GLU 33 9.488 11.951 1.454 253 HA GLU 33 HA GLU 33 11.142 11.997 3.763 254 HB2 GLU 33 HB2 GLU 33 11.797 11.719 0.823 255 HB3 GLU 33 HB3 GLU 33 13.005 11.577 2.101 256 HG2 GLU 33 HG2 GLU 33 11.831 9.703 3.095 257 HG3 GLU 33 HG3 GLU 33 10.475 9.909 1.993 258 H SER 34 H SER 34 10.387 14.384 1.342 259 HA SER 34 HA SER 34 12.629 16.063 1.462 260 HB2 SER 34 HB2 SER 34 10.855 16.266 -0.244 261 HB3 SER 34 HB3 SER 34 9.722 16.759 1.009 262 HG SER 34 HG SER 34 10.444 18.681 0.498 263 H THR 35 H THR 35 9.627 16.036 3.389 264 HA THR 35 HA THR 35 10.831 18.018 5.230 265 HB THR 35 HB THR 35 8.524 18.498 5.967 266 HG1 THR 35 HG1 THR 35 7.707 16.887 3.794 267 HG21 THR 35 HG21 THR 35 7.753 19.494 3.761 268 HG22 THR 35 HG22 THR 35 9.138 18.696 3.017 269 HG23 THR 35 HG23 THR 35 9.390 19.923 4.258 270 H GLN 36 H GLN 36 10.250 14.726 5.028 271 HA GLN 36 HA GLN 36 10.316 13.000 6.511 272 HB2 GLN 36 HB2 GLN 36 11.434 15.151 8.331 273 HB3 GLN 36 HB3 GLN 36 11.445 13.426 8.698 274 HG2 GLN 36 HG2 GLN 36 12.749 13.002 6.641 275 HG3 GLN 36 HG3 GLN 36 12.755 14.731 6.295 276 HE21 GLN 36 HE21 GLN 36 14.856 15.430 6.730 277 HE22 GLN 36 HE22 GLN 36 15.716 15.075 8.151 278 H GLN 37 H GLN 37 7.797 14.136 6.172 279 HA GLN 37 HA GLN 37 6.545 13.305 8.637 280 HB2 GLN 37 HB2 GLN 37 5.194 15.346 8.958 281 HB3 GLN 37 HB3 GLN 37 6.913 15.650 9.191 282 HG2 GLN 37 HG2 GLN 37 7.077 16.561 6.910 283 HG3 GLN 37 HG3 GLN 37 5.364 16.232 6.646 284 HE21 GLN 37 HE21 GLN 37 7.493 18.674 7.584 285 HE22 GLN 37 HE22 GLN 37 6.391 19.668 8.404 286 H TRP 38 H TRP 38 4.132 13.315 8.482 287 HA TRP 38 HA TRP 38 3.330 12.133 5.981 288 HB2 TRP 38 HB2 TRP 38 1.826 12.776 8.525 289 HB3 TRP 38 HB3 TRP 38 1.077 12.015 7.125 290 HD1 TRP 38 HD1 TRP 38 2.811 11.174 10.230 291 HE1 TRP 38 HE1 TRP 38 3.579 8.710 10.212 292 HE3 TRP 38 HE3 TRP 38 2.229 10.114 5.289 293 HZ2 TRP 38 HZ2 TRP 38 3.915 6.578 8.335 294 HZ3 TRP 38 HZ3 TRP 38 2.783 7.869 4.399 295 HH2 TRP 38 HH2 TRP 38 3.625 6.097 5.910 296 H GLU 39 H GLU 39 2.201 13.035 4.353 297 HA GLU 39 HA GLU 39 0.620 15.407 4.714 298 HB2 GLU 39 HB2 GLU 39 1.852 16.811 3.089 299 HB3 GLU 39 HB3 GLU 39 2.795 16.489 4.538 300 HG2 GLU 39 HG2 GLU 39 4.029 14.744 3.360 301 HG3 GLU 39 HG3 GLU 39 3.026 14.984 1.929 302 H TRP 40 H TRP 40 -0.365 16.150 2.624 303 HA TRP 40 HA TRP 40 -0.913 13.803 0.926 304 HB2 TRP 40 HB2 TRP 40 -2.598 16.193 1.662 305 HB3 TRP 40 HB3 TRP 40 -2.995 15.169 0.288 306 HD1 TRP 40 HD1 TRP 40 -3.991 12.820 0.742 307 HE1 TRP 40 HE1 TRP 40 -4.813 11.610 2.861 308 HE3 TRP 40 HE3 TRP 40 -2.116 15.941 4.325 309 HZ2 TRP 40 HZ2 TRP 40 -4.698 11.915 5.684 310 HZ3 TRP 40 HZ3 TRP 40 -2.491 15.453 6.730 311 HH2 TRP 40 HH2 TRP 40 -3.779 13.446 7.414 312 H GLN 41 H GLN 41 -0.743 13.855 -1.216 313 HA GLN 41 HA GLN 41 0.211 16.334 -2.508 314 HB2 GLN 41 HB2 GLN 41 1.250 13.518 -2.754 315 HB3 GLN 41 HB3 GLN 41 1.476 14.688 -4.049 316 HG2 GLN 41 HG2 GLN 41 3.419 15.054 -2.825 317 HG3 GLN 41 HG3 GLN 41 2.368 16.233 -2.056 318 HE21 GLN 41 HE21 GLN 41 4.632 15.051 -0.726 319 HE22 GLN 41 HE22 GLN 41 4.058 14.101 0.557 320 H GLN 42 H GLN 42 -0.292 16.521 -4.780 321 HA GLN 42 HA GLN 42 -2.952 15.688 -5.272 322 HB2 GLN 42 HB2 GLN 42 -1.123 17.623 -6.409 323 HB3 GLN 42 HB3 GLN 42 -1.896 16.730 -7.715 324 HG2 GLN 42 HG2 GLN 42 -3.489 17.932 -5.435 325 HG3 GLN 42 HG3 GLN 42 -3.080 18.856 -6.875 326 HE21 GLN 42 HE21 GLN 42 -4.662 15.739 -5.938 327 HE22 GLN 42 HE22 GLN 42 -5.732 15.729 -7.238 328 H VAL 43 H VAL 43 -3.812 14.195 -6.514 329 HA VAL 43 HA VAL 43 -2.242 11.970 -7.391 330 HB VAL 43 HB VAL 43 -4.449 11.047 -8.153 331 HG11 VAL 43 HG11 VAL 43 -5.608 11.238 -5.892 332 HG12 VAL 43 HG12 VAL 43 -4.276 12.293 -5.418 333 HG13 VAL 43 HG13 VAL 43 -3.955 10.624 -5.891 334 HG21 VAL 43 HG21 VAL 43 -6.470 12.632 -7.415 335 HG22 VAL 43 HG22 VAL 43 -5.710 12.804 -8.997 336 HG23 VAL 43 HG23 VAL 43 -5.286 13.908 -7.705 337 H LEU 44 H LEU 44 -0.921 12.406 -9.027 338 HA LEU 44 HA LEU 44 -1.231 14.226 -11.110 339 HB2 LEU 44 HB2 LEU 44 0.217 11.615 -11.003 340 HB3 LEU 44 HB3 LEU 44 0.375 12.744 -12.346 341 HG LEU 44 HG LEU 44 0.967 13.456 -9.459 342 HD11 LEU 44 HD11 LEU 44 3.410 13.339 -10.424 343 HD12 LEU 44 HD12 LEU 44 2.702 12.326 -11.673 344 HD13 LEU 44 HD13 LEU 44 2.605 11.837 -9.984 345 HD21 LEU 44 HD21 LEU 44 2.311 15.288 -10.731 346 HD22 LEU 44 HD22 LEU 44 0.558 15.456 -10.703 347 HD23 LEU 44 HD23 LEU 44 1.359 14.827 -12.144 348 H ARG 45 H ARG 45 -1.938 10.711 -11.128 349 HA ARG 45 HA ARG 45 -4.045 11.005 -13.067 350 HB2 ARG 45 HB2 ARG 45 -2.087 11.321 -14.521 351 HB3 ARG 45 HB3 ARG 45 -1.436 9.772 -13.995 352 HG2 ARG 45 HG2 ARG 45 -3.413 8.617 -14.937 353 HG3 ARG 45 HG3 ARG 45 -4.097 10.169 -15.424 354 HD2 ARG 45 HD2 ARG 45 -1.434 9.096 -16.393 355 HD3 ARG 45 HD3 ARG 45 -2.939 8.978 -17.284 356 HE ARG 45 HE ARG 45 -2.961 11.369 -17.531 357 HH11 ARG 45 HH11 ARG 45 0.028 10.195 -16.046 358 HH12 ARG 45 HH12 ARG 45 0.897 11.638 -16.420 359 HH21 ARG 45 HH21 ARG 45 -1.759 13.215 -17.983 360 HH22 ARG 45 HH22 ARG 45 -0.100 13.331 -17.501 361 H TRP 46 H TRP 46 -5.181 9.098 -13.501 362 HA TRP 46 HA TRP 46 -4.792 6.983 -11.504 363 HB2 TRP 46 HB2 TRP 46 -7.010 8.090 -11.647 364 HB3 TRP 46 HB3 TRP 46 -7.149 7.567 -13.325 365 HD1 TRP 46 HD1 TRP 46 -6.573 5.915 -9.861 366 HE1 TRP 46 HE1 TRP 46 -7.849 3.691 -9.806 367 HE3 TRP 46 HE3 TRP 46 -8.461 5.871 -14.606 368 HZ2 TRP 46 HZ2 TRP 46 -9.462 2.106 -11.523 369 HZ3 TRP 46 HZ3 TRP 46 -9.879 3.979 -15.364 370 HH2 TRP 46 HH2 TRP 46 -10.378 2.097 -13.825 371 H LEU 47 H LEU 47 -3.698 5.243 -12.112 372 HA LEU 47 HA LEU 47 -3.631 4.461 -14.950 373 HB2 LEU 47 HB2 LEU 47 -1.732 3.775 -12.693 374 HB3 LEU 47 HB3 LEU 47 -1.571 3.223 -14.356 375 HG LEU 47 HG LEU 47 -1.647 6.155 -13.564 376 HD11 LEU 47 HD11 LEU 47 0.665 4.255 -14.030 377 HD12 LEU 47 HD12 LEU 47 0.352 5.237 -12.601 378 HD13 LEU 47 HD13 LEU 47 0.842 6.008 -14.111 379 HD21 LEU 47 HD21 LEU 47 -2.287 5.771 -15.881 380 HD22 LEU 47 HD22 LEU 47 -0.933 4.666 -16.113 381 HD23 LEU 47 HD23 LEU 47 -0.633 6.389 -15.871 382 H ASP 48 H ASP 48 -4.697 2.738 -15.574 383 HA ASP 48 HA ASP 48 -5.686 0.796 -13.615 384 HB2 ASP 48 HB2 ASP 48 -7.282 1.732 -15.252 385 HB3 ASP 48 HB3 ASP 48 -6.297 1.108 -16.560 386 H GLN 49 H GLN 49 -4.231 -0.738 -13.137 387 HA GLN 49 HA GLN 49 -2.221 -1.686 -15.008 388 HB2 GLN 49 HB2 GLN 49 -2.916 -2.277 -12.152 389 HB3 GLN 49 HB3 GLN 49 -1.806 -3.317 -13.035 390 HG2 GLN 49 HG2 GLN 49 -0.516 -1.596 -11.859 391 HG3 GLN 49 HG3 GLN 49 -0.417 -1.312 -13.593 392 HE21 GLN 49 HE21 GLN 49 -2.869 -0.434 -11.082 393 HE22 GLN 49 HE22 GLN 49 -2.909 1.207 -11.512 394 H GLY 50 H GLY 50 -5.438 -2.433 -14.806 395 HA2 GLY 50 HA2 GLY 50 -6.723 -4.126 -15.680 396 HA3 GLY 50 HA3 GLY 50 -5.290 -4.611 -16.580 397 H VAL 51 H VAL 51 -5.046 -6.746 -16.298 398 HA VAL 51 HA VAL 51 -5.572 -7.911 -13.648 399 HB VAL 51 HB VAL 51 -5.515 -10.095 -14.785 400 HG11 VAL 51 HG11 VAL 51 -7.659 -9.053 -14.650 401 HG12 VAL 51 HG12 VAL 51 -7.513 -9.696 -16.285 402 HG13 VAL 51 HG13 VAL 51 -7.289 -7.971 -15.994 403 HG21 VAL 51 HG21 VAL 51 -3.960 -9.797 -16.581 404 HG22 VAL 51 HG22 VAL 51 -4.829 -8.400 -17.210 405 HG23 VAL 51 HG23 VAL 51 -5.523 -10.010 -17.362 406 H ARG 52 H ARG 52 -3.951 -8.127 -12.282 407 HA ARG 52 HA ARG 52 -1.346 -9.047 -13.275 408 HB2 ARG 52 HB2 ARG 52 -1.699 -6.663 -11.448 409 HB3 ARG 52 HB3 ARG 52 -0.157 -7.423 -11.815 410 HG2 ARG 52 HG2 ARG 52 -0.669 -7.013 -14.268 411 HG3 ARG 52 HG3 ARG 52 -1.998 -5.988 -13.720 412 HD2 ARG 52 HD2 ARG 52 -0.366 -4.660 -12.363 413 HD3 ARG 52 HD3 ARG 52 0.928 -5.647 -13.023 414 HE ARG 52 HE ARG 52 -0.612 -4.539 -15.149 415 HH11 ARG 52 HH11 ARG 52 1.791 -3.617 -12.759 416 HH12 ARG 52 HH12 ARG 52 2.430 -2.328 -13.721 417 HH21 ARG 52 HH21 ARG 52 0.262 -2.856 -16.377 418 HH22 ARG 52 HH22 ARG 52 1.567 -1.901 -15.759 419 H GLU 53 H GLU 53 -0.043 -10.085 -11.755 420 HA GLU 53 HA GLU 53 -1.392 -11.682 -9.789 421 HB2 GLU 53 HB2 GLU 53 0.770 -12.162 -11.215 422 HB3 GLU 53 HB3 GLU 53 1.598 -11.307 -9.918 423 HG2 GLU 53 HG2 GLU 53 1.716 -13.515 -9.170 424 HG3 GLU 53 HG3 GLU 53 0.269 -12.950 -8.344 425 H THR 54 H THR 54 -1.404 -11.417 -7.494 426 HA THR 54 HA THR 54 0.138 -9.137 -6.428 427 HB THR 54 HB THR 54 -2.104 -8.251 -7.046 428 HG1 THR 54 HG1 THR 54 -2.412 -7.264 -5.035 429 HG21 THR 54 HG21 THR 54 -3.203 -10.575 -6.217 430 HG22 THR 54 HG22 THR 54 -4.092 -9.051 -6.201 431 HG23 THR 54 HG23 THR 54 -3.348 -9.643 -4.722 432 H TRP 55 H TRP 55 0.477 -9.046 -4.218 433 HA TRP 55 HA TRP 55 0.060 -11.581 -2.741 434 HB2 TRP 55 HB2 TRP 55 2.412 -9.682 -2.777 435 HB3 TRP 55 HB3 TRP 55 2.190 -10.911 -1.536 436 HD1 TRP 55 HD1 TRP 55 2.990 -13.254 -2.093 437 HE1 TRP 55 HE1 TRP 55 3.863 -14.414 -4.208 438 HE3 TRP 55 HE3 TRP 55 2.045 -9.629 -5.557 439 HZ2 TRP 55 HZ2 TRP 55 4.117 -13.903 -7.009 440 HZ3 TRP 55 HZ3 TRP 55 2.604 -9.996 -7.946 441 HH2 TRP 55 HH2 TRP 55 3.639 -12.130 -8.675 442 H LYS 56 H LYS 56 -1.027 -11.399 -0.869 443 HA LYS 56 HA LYS 56 -1.852 -8.772 0.075 444 HB2 LYS 56 HB2 LYS 56 -3.573 -10.519 -0.177 445 HB3 LYS 56 HB3 LYS 56 -2.730 -11.530 0.994 446 HG2 LYS 56 HG2 LYS 56 -3.090 -9.785 2.749 447 HG3 LYS 56 HG3 LYS 56 -3.921 -8.782 1.555 448 HD2 LYS 56 HD2 LYS 56 -5.623 -10.531 1.246 449 HD3 LYS 56 HD3 LYS 56 -4.793 -11.555 2.418 450 HE2 LYS 56 HE2 LYS 56 -5.143 -9.851 4.164 451 HE3 LYS 56 HE3 LYS 56 -5.967 -8.820 2.994 452 HZ1 LYS 56 HZ1 LYS 56 -6.893 -11.580 3.390 453 HZ2 LYS 56 HZ2 LYS 56 -7.769 -10.209 2.894 454 HZ3 LYS 56 HZ3 LYS 56 -7.326 -10.396 4.524 455 H ILE 57 H ILE 57 -0.168 -7.895 1.082 456 HA ILE 57 HA ILE 57 1.304 -9.288 3.141 457 HB ILE 57 HB ILE 57 1.384 -6.350 2.325 458 HG12 ILE 57 HG12 ILE 57 3.364 -8.549 1.597 459 HG13 ILE 57 HG13 ILE 57 2.014 -8.132 0.551 460 HG21 ILE 57 HG21 ILE 57 3.644 -6.466 3.455 461 HG22 ILE 57 HG22 ILE 57 3.208 -8.068 4.049 462 HG23 ILE 57 HG23 ILE 57 2.285 -6.657 4.564 463 HD11 ILE 57 HD11 ILE 57 4.183 -6.254 1.487 464 HD12 ILE 57 HD12 ILE 57 2.818 -5.818 0.452 465 HD13 ILE 57 HD13 ILE 57 4.036 -6.957 -0.124 466 H LYS 58 H LYS 58 0.107 -9.751 4.809 467 HA LYS 58 HA LYS 58 -1.925 -7.993 5.867 468 HB2 LYS 58 HB2 LYS 58 -2.140 -10.519 5.659 469 HB3 LYS 58 HB3 LYS 58 -0.976 -10.638 6.959 470 HG2 LYS 58 HG2 LYS 58 -2.438 -9.251 8.419 471 HG3 LYS 58 HG3 LYS 58 -3.640 -9.193 7.133 472 HD2 LYS 58 HD2 LYS 58 -2.622 -11.795 8.310 473 HD3 LYS 58 HD3 LYS 58 -4.044 -10.956 8.927 474 HE2 LYS 58 HE2 LYS 58 -3.705 -11.868 6.049 475 HE3 LYS 58 HE3 LYS 58 -4.628 -12.737 7.274 476 HZ1 LYS 58 HZ1 LYS 58 -5.870 -10.561 7.577 477 HZ2 LYS 58 HZ2 LYS 58 -6.191 -11.443 6.161 478 HZ3 LYS 58 HZ3 LYS 58 -5.179 -10.077 6.107 479 H THR 59 H THR 59 -1.732 -6.696 7.589 480 HA THR 59 HA THR 59 0.597 -7.012 9.388 481 HB THR 59 HB THR 59 0.913 -4.614 9.541 482 HG1 THR 59 HG1 THR 59 -0.713 -3.404 9.122 483 HG21 THR 59 HG21 THR 59 0.599 -5.059 6.585 484 HG22 THR 59 HG22 THR 59 1.821 -5.952 7.498 485 HG23 THR 59 HG23 THR 59 1.869 -4.190 7.447 486 H PHE 60 H PHE 60 0.296 -5.931 11.475 487 HA PHE 60 HA PHE 60 -1.966 -6.910 12.764 488 HB2 PHE 60 HB2 PHE 60 0.190 -6.479 13.898 489 HB3 PHE 60 HB3 PHE 60 -0.063 -4.746 13.714 490 HD1 PHE 60 HD1 PHE 60 -1.449 -7.829 15.288 491 HD2 PHE 60 HD2 PHE 60 -1.453 -3.533 15.239 492 HE1 PHE 60 HE1 PHE 60 -2.774 -7.806 17.385 493 HE2 PHE 60 HE2 PHE 60 -2.777 -3.511 17.335 494 HZ PHE 60 HZ PHE 60 -3.438 -5.647 18.408 495 H GLN 61 H GLN 61 -1.223 -3.587 11.723 496 HA GLN 61 HA GLN 61 -3.772 -2.616 12.736 497 HB2 GLN 61 HB2 GLN 61 -1.562 -1.187 11.243 498 HB3 GLN 61 HB3 GLN 61 -2.985 -0.410 11.936 499 HG2 GLN 61 HG2 GLN 61 -2.321 -1.303 14.180 500 HG3 GLN 61 HG3 GLN 61 -0.847 -1.938 13.443 501 HE21 GLN 61 HE21 GLN 61 0.869 -0.585 13.916 502 HE22 GLN 61 HE22 GLN 61 0.797 1.118 13.928 503 H THR 62 H THR 62 -2.408 -3.540 9.631 504 HA THR 62 HA THR 62 -5.033 -3.175 8.386 505 HB THR 62 HB THR 62 -4.154 -1.872 6.494 506 HG1 THR 62 HG1 THR 62 -2.071 -1.091 6.569 507 HG21 THR 62 HG21 THR 62 -4.046 0.246 7.604 508 HG22 THR 62 HG22 THR 62 -3.428 -0.488 9.084 509 HG23 THR 62 HG23 THR 62 -5.096 -0.777 8.586 510 H GLU 63 H GLU 63 -4.667 -3.688 5.855 511 HA GLU 63 HA GLU 63 -2.764 -5.771 5.297 512 HB2 GLU 63 HB2 GLU 63 -4.429 -7.509 4.740 513 HB3 GLU 63 HB3 GLU 63 -4.516 -7.091 6.453 514 HG2 GLU 63 HG2 GLU 63 -6.430 -5.563 5.953 515 HG3 GLU 63 HG3 GLU 63 -6.347 -6.056 4.263 516 H ILE 64 H ILE 64 -2.438 -5.983 3.058 517 HA ILE 64 HA ILE 64 -4.301 -4.712 1.203 518 HB ILE 64 HB ILE 64 -3.058 -2.846 2.168 519 HG12 ILE 64 HG12 ILE 64 -3.808 -2.839 -0.306 520 HG13 ILE 64 HG13 ILE 64 -2.562 -1.688 0.125 521 HG21 ILE 64 HG21 ILE 64 -0.562 -4.153 1.061 522 HG22 ILE 64 HG22 ILE 64 -0.993 -4.008 2.766 523 HG23 ILE 64 HG23 ILE 64 -0.653 -2.560 1.815 524 HD11 ILE 64 HD11 ILE 64 -2.487 -3.674 -1.920 525 HD12 ILE 64 HD12 ILE 64 -1.249 -4.115 -0.744 526 HD13 ILE 64 HD13 ILE 64 -1.232 -2.524 -1.487 527 H LYS 65 H LYS 65 -4.092 -5.395 -0.912 528 HA LYS 65 HA LYS 65 -1.944 -7.337 -1.439 529 HB2 LYS 65 HB2 LYS 65 -3.593 -8.110 -3.321 530 HB3 LYS 65 HB3 LYS 65 -3.861 -8.650 -1.672 531 HG2 LYS 65 HG2 LYS 65 -5.192 -6.097 -2.578 532 HG3 LYS 65 HG3 LYS 65 -5.856 -7.627 -3.146 533 HD2 LYS 65 HD2 LYS 65 -5.968 -8.394 -0.748 534 HD3 LYS 65 HD3 LYS 65 -5.499 -6.767 -0.258 535 HE2 LYS 65 HE2 LYS 65 -7.466 -5.836 -1.394 536 HE3 LYS 65 HE3 LYS 65 -7.935 -7.451 -1.924 537 HZ1 LYS 65 HZ1 LYS 65 -8.320 -8.125 0.279 538 HZ2 LYS 65 HZ2 LYS 65 -9.056 -6.599 0.136 539 HZ3 LYS 65 HZ3 LYS 65 -7.561 -6.754 0.928 540 H CYS 66 H CYS 66 -0.442 -6.715 -2.758 541 HA CYS 66 HA CYS 66 -1.019 -5.110 -5.132 542 HB2 CYS 66 HB2 CYS 66 0.709 -3.459 -4.603 543 HB3 CYS 66 HB3 CYS 66 -0.532 -3.463 -3.353 544 HG CYS 66 HG CYS 66 1.222 -5.124 -2.018 545 H THR 67 H THR 67 1.208 -4.766 -6.359 546 HA THR 67 HA THR 67 2.153 -7.205 -7.198 547 HB THR 67 HB THR 67 4.134 -5.985 -8.096 548 HG1 THR 67 HG1 THR 67 4.101 -3.681 -7.644 549 HG21 THR 67 HG21 THR 67 1.588 -4.376 -8.374 550 HG22 THR 67 HG22 THR 67 1.860 -5.919 -9.183 551 HG23 THR 67 HG23 THR 67 2.887 -4.535 -9.557 552 H GLY 68 H GLY 68 3.863 -8.559 -6.675 553 HA2 GLY 68 HA2 GLY 68 4.736 -8.449 -3.910 554 HA3 GLY 68 HA3 GLY 68 4.850 -9.816 -4.995 555 H ASN 69 H ASN 69 6.059 -7.154 -6.663 556 HA ASN 69 HA ASN 69 8.829 -7.883 -5.885 557 HB2 ASN 69 HB2 ASN 69 7.812 -8.384 -8.278 558 HB3 ASN 69 HB3 ASN 69 8.258 -6.701 -8.562 559 HD21 ASN 69 HD21 ASN 69 9.764 -9.576 -6.961 560 HD22 ASN 69 HD22 ASN 69 11.296 -9.330 -7.645 561 H HIS 70 H HIS 70 6.615 -5.236 -6.186 562 HA HIS 70 HA HIS 70 8.618 -3.192 -6.444 563 HB2 HIS 70 HB2 HIS 70 6.112 -3.023 -7.102 564 HB3 HIS 70 HB3 HIS 70 5.832 -2.687 -5.393 565 HD2 HIS 70 HD2 HIS 70 6.339 -0.039 -4.684 566 HE1 HIS 70 HE1 HIS 70 8.503 1.069 -8.136 567 HE2 HIS 70 HE2 HIS 70 7.532 1.911 -5.952 568 H LEU 71 H LEU 71 9.422 -1.777 -4.877 569 HA LEU 71 HA LEU 71 9.808 -2.919 -2.286 570 HB2 LEU 71 HB2 LEU 71 10.622 -0.270 -3.482 571 HB3 LEU 71 HB3 LEU 71 10.974 -0.707 -1.815 572 HG LEU 71 HG LEU 71 12.025 -2.853 -2.749 573 HD11 LEU 71 HD11 LEU 71 11.242 -2.958 -4.979 574 HD12 LEU 71 HD12 LEU 71 12.917 -2.453 -5.150 575 HD13 LEU 71 HD13 LEU 71 11.622 -1.264 -5.286 576 HD21 LEU 71 HD21 LEU 71 13.207 -0.118 -3.313 577 HD22 LEU 71 HD22 LEU 71 14.140 -1.611 -3.407 578 HD23 LEU 71 HD23 LEU 71 13.441 -1.104 -1.869 579 H ILE 72 H ILE 72 9.069 -2.334 -0.320 580 HA ILE 72 HA ILE 72 6.913 -0.312 -0.158 581 HB ILE 72 HB ILE 72 6.987 -3.049 1.177 582 HG12 ILE 72 HG12 ILE 72 4.989 -1.943 -0.832 583 HG13 ILE 72 HG13 ILE 72 6.387 -2.898 -1.310 584 HG21 ILE 72 HG21 ILE 72 5.975 -1.163 2.569 585 HG22 ILE 72 HG22 ILE 72 4.870 -2.482 2.198 586 HG23 ILE 72 HG23 ILE 72 4.769 -0.973 1.298 587 HD11 ILE 72 HD11 ILE 72 4.391 -4.320 -1.097 588 HD12 ILE 72 HD12 ILE 72 4.194 -3.804 0.579 589 HD13 ILE 72 HD13 ILE 72 5.600 -4.760 0.110 590 H ARG 73 H ARG 73 7.159 1.175 1.488 591 HA ARG 73 HA ARG 73 9.612 1.399 2.833 592 HB2 ARG 73 HB2 ARG 73 7.908 3.314 2.578 593 HB3 ARG 73 HB3 ARG 73 7.051 2.583 3.934 594 HG2 ARG 73 HG2 ARG 73 8.466 4.164 4.995 595 HG3 ARG 73 HG3 ARG 73 9.339 2.653 5.181 596 HD2 ARG 73 HD2 ARG 73 11.076 3.850 4.340 597 HD3 ARG 73 HD3 ARG 73 10.358 3.487 2.785 598 HE ARG 73 HE ARG 73 9.565 5.711 2.665 599 HH11 ARG 73 HH11 ARG 73 11.075 5.108 5.789 600 HH12 ARG 73 HH12 ARG 73 11.188 6.787 6.191 601 HH21 ARG 73 HH21 ARG 73 9.764 7.898 3.229 602 HH22 ARG 73 HH22 ARG 73 10.449 8.352 4.753 603 H THR 74 H THR 74 10.460 0.618 4.632 604 HA THR 74 HA THR 74 8.758 -0.660 6.656 605 HB THR 74 HB THR 74 10.259 -2.590 6.834 606 HG1 THR 74 HG1 THR 74 12.065 -1.386 5.899 607 HG21 THR 74 HG21 THR 74 8.948 -2.051 4.177 608 HG22 THR 74 HG22 THR 74 8.430 -3.119 5.476 609 HG23 THR 74 HG23 THR 74 9.807 -3.557 4.471 610 H ASP 75 H ASP 75 10.308 -1.333 8.581 611 HA ASP 75 HA ASP 75 11.424 1.013 9.665 612 HB2 ASP 75 HB2 ASP 75 12.385 -0.470 11.398 613 HB3 ASP 75 HB3 ASP 75 10.692 -0.831 11.088 614 H LYS 76 H LYS 76 12.757 -1.410 7.553 615 HA LYS 76 HA LYS 76 15.493 -0.349 7.843 616 HB2 LYS 76 HB2 LYS 76 14.323 -2.929 6.878 617 HB3 LYS 76 HB3 LYS 76 15.757 -2.365 6.031 618 HG2 LYS 76 HG2 LYS 76 16.674 -3.667 7.763 619 HG3 LYS 76 HG3 LYS 76 16.770 -2.035 8.416 620 HD2 LYS 76 HD2 LYS 76 15.844 -3.285 10.194 621 HD3 LYS 76 HD3 LYS 76 14.440 -2.520 9.455 622 HE2 LYS 76 HE2 LYS 76 13.988 -4.594 8.166 623 HE3 LYS 76 HE3 LYS 76 15.390 -5.362 8.902 624 HZ1 LYS 76 HZ1 LYS 76 13.671 -6.063 10.233 625 HZ2 LYS 76 HZ2 LYS 76 12.839 -4.584 10.146 626 HZ3 LYS 76 HZ3 LYS 76 14.241 -4.721 11.097 627 H GLY 77 H GLY 77 13.145 1.028 6.471 628 HA2 GLY 77 HA2 GLY 77 13.068 2.568 4.719 629 HA3 GLY 77 HA3 GLY 77 14.562 1.887 4.083 630 H TRP 78 H TRP 78 13.244 2.198 2.016 631 HA TRP 78 HA TRP 78 11.067 0.427 1.493 632 HB2 TRP 78 HB2 TRP 78 12.615 2.443 -0.022 633 HB3 TRP 78 HB3 TRP 78 12.134 1.072 -1.016 634 HD1 TRP 78 HD1 TRP 78 9.420 0.365 -0.556 635 HE1 TRP 78 HE1 TRP 78 7.381 1.942 -0.539 636 HE3 TRP 78 HE3 TRP 78 11.766 4.813 0.281 637 HZ2 TRP 78 HZ2 TRP 78 6.823 4.711 -0.228 638 HZ3 TRP 78 HZ3 TRP 78 10.448 6.914 0.429 639 HH2 TRP 78 HH2 TRP 78 7.969 6.855 0.174 640 H ILE 79 H ILE 79 11.073 -1.632 1.137 641 HA ILE 79 HA ILE 79 13.471 -2.993 0.078 642 HB ILE 79 HB ILE 79 11.801 -3.936 2.433 643 HG12 ILE 79 HG12 ILE 79 13.310 -2.044 3.034 644 HG13 ILE 79 HG13 ILE 79 13.815 -3.535 3.821 645 HG21 ILE 79 HG21 ILE 79 12.607 -5.820 1.111 646 HG22 ILE 79 HG22 ILE 79 13.488 -5.746 2.638 647 HG23 ILE 79 HG23 ILE 79 14.252 -5.186 1.150 648 HD11 ILE 79 HD11 ILE 79 15.072 -2.441 1.261 649 HD12 ILE 79 HD12 ILE 79 15.627 -3.823 2.196 650 HD13 ILE 79 HD13 ILE 79 15.733 -2.201 2.875 651 H LYS 80 H LYS 80 13.105 -4.768 -1.201 652 HA LYS 80 HA LYS 80 10.939 -4.876 -2.897 653 HB2 LYS 80 HB2 LYS 80 12.752 -7.120 -1.998 654 HB3 LYS 80 HB3 LYS 80 11.657 -7.240 -3.371 655 HG2 LYS 80 HG2 LYS 80 12.779 -5.324 -4.443 656 HG3 LYS 80 HG3 LYS 80 13.873 -5.189 -3.065 657 HD2 LYS 80 HD2 LYS 80 14.673 -7.505 -3.501 658 HD3 LYS 80 HD3 LYS 80 13.628 -7.579 -4.919 659 HE2 LYS 80 HE2 LYS 80 15.822 -5.526 -4.506 660 HE3 LYS 80 HE3 LYS 80 15.983 -6.977 -5.494 661 HZ1 LYS 80 HZ1 LYS 80 13.953 -4.846 -5.918 662 HZ2 LYS 80 HZ2 LYS 80 14.199 -6.214 -6.895 663 HZ3 LYS 80 HZ3 LYS 80 15.392 -5.006 -6.802 664 H ALA 81 H ALA 81 8.924 -5.739 -2.919 665 HA ALA 81 HA ALA 81 7.545 -6.333 -0.544 666 HB1 ALA 81 HB1 ALA 81 5.848 -7.354 -2.262 667 HB2 ALA 81 HB2 ALA 81 6.937 -6.643 -3.454 668 HB3 ALA 81 HB3 ALA 81 6.158 -5.618 -2.249 669 H ALA 82 H ALA 82 8.909 -8.463 -3.010 670 HA ALA 82 HA ALA 82 7.986 -10.923 -2.004 671 HB1 ALA 82 HB1 ALA 82 10.253 -10.091 -3.772 672 HB2 ALA 82 HB2 ALA 82 8.864 -11.115 -4.135 673 HB3 ALA 82 HB3 ALA 82 10.197 -11.748 -3.172 674 H ASN 83 H ASN 83 10.758 -8.934 -1.186 675 HA ASN 83 HA ASN 83 12.119 -10.825 0.458 676 HB2 ASN 83 HB2 ASN 83 13.064 -8.731 -0.664 677 HB3 ASN 83 HB3 ASN 83 12.309 -7.831 0.656 678 HD21 ASN 83 HD21 ASN 83 15.243 -8.383 -0.028 679 HD22 ASN 83 HD22 ASN 83 15.897 -8.991 1.419 680 H ILE 84 H ILE 84 9.569 -8.449 1.034 681 HA ILE 84 HA ILE 84 9.767 -8.059 3.765 682 HB ILE 84 HB ILE 84 7.177 -8.340 2.213 683 HG12 ILE 84 HG12 ILE 84 8.668 -6.688 1.153 684 HG13 ILE 84 HG13 ILE 84 7.313 -5.869 1.907 685 HG21 ILE 84 HG21 ILE 84 6.749 -8.348 4.606 686 HG22 ILE 84 HG22 ILE 84 6.264 -6.785 3.946 687 HG23 ILE 84 HG23 ILE 84 7.780 -6.934 4.834 688 HD11 ILE 84 HD11 ILE 84 9.268 -4.575 2.466 689 HD12 ILE 84 HD12 ILE 84 10.184 -6.019 2.898 690 HD13 ILE 84 HD13 ILE 84 8.858 -5.478 3.926 691 H THR 85 H THR 85 9.354 -9.132 5.552 692 HA THR 85 HA THR 85 8.044 -11.770 5.418 693 HB THR 85 HB THR 85 9.651 -12.586 7.124 694 HG1 THR 85 HG1 THR 85 10.796 -10.044 6.648 695 HG21 THR 85 HG21 THR 85 11.425 -13.038 5.622 696 HG22 THR 85 HG22 THR 85 11.196 -11.517 4.764 697 HG23 THR 85 HG23 THR 85 10.012 -12.813 4.591 698 HA PRO 86 HA PRO 86 5.321 -10.624 8.698 699 HB2 PRO 86 HB2 PRO 86 6.589 -12.684 10.460 700 HB3 PRO 86 HB3 PRO 86 4.869 -12.370 10.149 701 HG2 PRO 86 HG2 PRO 86 6.030 -14.391 8.974 702 HG3 PRO 86 HG3 PRO 86 4.939 -13.345 8.043 703 HD2 PRO 86 HD2 PRO 86 7.933 -13.460 7.972 704 HD3 PRO 86 HD3 PRO 86 6.762 -13.170 6.655 705 H LYS 87 H LYS 87 8.643 -11.209 9.892 706 HA LYS 87 HA LYS 87 8.462 -9.671 12.260 707 HB2 LYS 87 HB2 LYS 87 10.882 -9.737 12.368 708 HB3 LYS 87 HB3 LYS 87 10.342 -11.290 11.739 709 HG2 LYS 87 HG2 LYS 87 10.872 -10.585 9.451 710 HG3 LYS 87 HG3 LYS 87 11.316 -8.976 10.015 711 HD2 LYS 87 HD2 LYS 87 13.080 -10.078 11.459 712 HD3 LYS 87 HD3 LYS 87 12.727 -11.585 10.612 713 HE2 LYS 87 HE2 LYS 87 14.613 -10.487 9.509 714 HE3 LYS 87 HE3 LYS 87 13.212 -10.424 8.440 715 HZ1 LYS 87 HZ1 LYS 87 13.953 -8.234 10.295 716 HZ2 LYS 87 HZ2 LYS 87 12.806 -8.189 9.042 717 HZ3 LYS 87 HZ3 LYS 87 14.462 -8.297 8.679 718 H MET 88 H MET 88 8.924 -8.758 8.949 719 HA MET 88 HA MET 88 10.092 -6.242 9.231 720 HB2 MET 88 HB2 MET 88 9.433 -7.782 7.126 721 HB3 MET 88 HB3 MET 88 8.070 -6.684 7.076 722 HG2 MET 88 HG2 MET 88 9.314 -4.997 6.229 723 HG3 MET 88 HG3 MET 88 10.582 -5.183 7.432 724 HE1 MET 88 HE1 MET 88 11.678 -7.574 7.497 725 HE2 MET 88 HE2 MET 88 12.955 -6.515 6.906 726 HE3 MET 88 HE3 MET 88 12.689 -8.074 6.132 727 H LYS 89 H LYS 89 9.320 -4.241 9.684 728 HA LYS 89 HA LYS 89 6.429 -3.989 10.241 729 HB2 LYS 89 HB2 LYS 89 8.732 -2.776 11.792 730 HB3 LYS 89 HB3 LYS 89 7.027 -2.433 12.087 731 HG2 LYS 89 HG2 LYS 89 6.604 -4.799 12.592 732 HG3 LYS 89 HG3 LYS 89 8.280 -5.199 12.228 733 HD2 LYS 89 HD2 LYS 89 8.148 -5.037 14.612 734 HD3 LYS 89 HD3 LYS 89 8.936 -3.555 14.075 735 HE2 LYS 89 HE2 LYS 89 6.796 -2.348 14.219 736 HE3 LYS 89 HE3 LYS 89 5.980 -3.830 14.708 737 HZ1 LYS 89 HZ1 LYS 89 8.218 -2.569 16.196 738 HZ2 LYS 89 HZ2 LYS 89 7.313 -3.923 16.680 739 HZ3 LYS 89 HZ3 LYS 89 6.580 -2.392 16.592 740 H ILE 90 H ILE 90 5.389 -2.129 9.615 741 HA ILE 90 HA ILE 90 6.987 -0.170 8.063 742 HB ILE 90 HB ILE 90 4.217 -1.197 7.351 743 HG12 ILE 90 HG12 ILE 90 5.672 -1.946 5.233 744 HG13 ILE 90 HG13 ILE 90 7.005 -1.874 6.376 745 HG21 ILE 90 HG21 ILE 90 4.868 0.096 5.147 746 HG22 ILE 90 HG22 ILE 90 5.982 0.964 6.198 747 HG23 ILE 90 HG23 ILE 90 4.252 1.002 6.529 748 HD11 ILE 90 HD11 ILE 90 4.502 -3.366 7.144 749 HD12 ILE 90 HD12 ILE 90 6.166 -3.634 7.663 750 HD13 ILE 90 HD13 ILE 90 5.660 -4.116 6.048 751 H LEU 91 H LEU 91 6.736 1.904 8.544 752 HA LEU 91 HA LEU 91 5.091 2.741 10.728 753 HB2 LEU 91 HB2 LEU 91 5.883 5.037 10.155 754 HB3 LEU 91 HB3 LEU 91 7.171 3.873 10.399 755 HG LEU 91 HG LEU 91 6.765 3.610 7.652 756 HD11 LEU 91 HD11 LEU 91 6.779 6.046 6.842 757 HD12 LEU 91 HD12 LEU 91 6.118 6.452 8.427 758 HD13 LEU 91 HD13 LEU 91 5.232 5.375 7.349 759 HD21 LEU 91 HD21 LEU 91 8.929 3.996 8.968 760 HD22 LEU 91 HD22 LEU 91 8.598 5.722 8.839 761 HD23 LEU 91 HD23 LEU 91 8.862 4.765 7.382 762 H SER 92 H SER 92 3.118 3.552 10.775 763 HA SER 92 HA SER 92 1.790 4.256 8.234 764 HB2 SER 92 HB2 SER 92 0.663 2.578 10.489 765 HB3 SER 92 HB3 SER 92 -0.259 3.166 9.109 766 HG SER 92 HG SER 92 1.701 1.195 9.284 767 HA PRO 93 HA PRO 93 0.437 7.904 10.502 768 HB2 PRO 93 HB2 PRO 93 -1.770 8.639 9.128 769 HB3 PRO 93 HB3 PRO 93 -0.136 8.803 8.450 770 HG2 PRO 93 HG2 PRO 93 -2.170 6.672 7.968 771 HG3 PRO 93 HG3 PRO 93 -1.140 7.530 6.804 772 HD2 PRO 93 HD2 PRO 93 -0.529 5.039 7.699 773 HD3 PRO 93 HD3 PRO 93 0.726 6.231 7.275 774 H GLU 94 H GLU 94 -1.018 8.502 12.125 775 HA GLU 94 HA GLU 94 -3.234 6.638 12.721 776 HB2 GLU 94 HB2 GLU 94 -1.411 8.019 14.710 777 HB3 GLU 94 HB3 GLU 94 -2.786 7.000 15.120 778 HG2 GLU 94 HG2 GLU 94 -0.339 6.088 13.566 779 HG3 GLU 94 HG3 GLU 94 -0.636 5.756 15.269 780 H ILE 95 H ILE 95 -5.157 7.567 12.827 781 HA ILE 95 HA ILE 95 -5.313 10.480 12.784 782 HB ILE 95 HB ILE 95 -7.549 8.470 12.354 783 HG12 ILE 95 HG12 ILE 95 -7.084 9.454 9.866 784 HG13 ILE 95 HG13 ILE 95 -5.468 9.671 10.503 785 HG21 ILE 95 HG21 ILE 95 -7.367 11.423 11.660 786 HG22 ILE 95 HG22 ILE 95 -8.253 10.770 13.039 787 HG23 ILE 95 HG23 ILE 95 -8.757 10.368 11.398 788 HD11 ILE 95 HD11 ILE 95 -6.894 7.029 10.801 789 HD12 ILE 95 HD12 ILE 95 -5.163 7.361 10.857 790 HD13 ILE 95 HD13 ILE 95 -6.023 7.437 9.323 791 H ASP 96 H ASP 96 -5.691 11.618 14.483 792 HA ASP 96 HA ASP 96 -7.573 10.908 16.534 793 HB2 ASP 96 HB2 ASP 96 -5.865 10.959 18.391 794 HB3 ASP 96 HB3 ASP 96 -5.669 9.582 17.318 795 H ALA 97 H ALA 97 -6.023 12.856 18.415 796 HA ALA 97 HA ALA 97 -7.229 15.271 17.610 797 HB1 ALA 97 HB1 ALA 97 -5.383 16.235 19.222 798 HB2 ALA 97 HB2 ALA 97 -5.098 14.533 19.588 799 HB3 ALA 97 HB3 ALA 97 -6.688 15.242 19.873 800 H ALA 98 H ALA 98 -4.011 13.905 17.080 801 HA ALA 98 HA ALA 98 -3.595 15.744 14.852 802 HB1 ALA 98 HB1 ALA 98 -2.430 16.502 17.110 803 HB2 ALA 98 HB2 ALA 98 -1.580 16.618 15.570 804 HB3 ALA 98 HB3 ALA 98 -1.259 15.264 16.654 805 H VAL 99 H VAL 99 -2.298 14.856 13.214 806 HA VAL 99 HA VAL 99 -2.336 12.045 12.961 807 HB VAL 99 HB VAL 99 -0.940 12.386 10.939 808 HG11 VAL 99 HG11 VAL 99 -3.393 12.754 10.894 809 HG12 VAL 99 HG12 VAL 99 -2.548 13.782 9.738 810 HG13 VAL 99 HG13 VAL 99 -3.128 14.458 11.260 811 HG21 VAL 99 HG21 VAL 99 0.554 14.158 11.708 812 HG22 VAL 99 HG22 VAL 99 -0.808 15.248 11.966 813 HG23 VAL 99 HG23 VAL 99 -0.362 14.769 10.329 814 H LYS 100 H LYS 100 -0.932 10.469 13.404 815 HA LYS 100 HA LYS 100 1.763 11.198 14.402 816 HB2 LYS 100 HB2 LYS 100 -0.206 9.357 15.763 817 HB3 LYS 100 HB3 LYS 100 1.498 9.482 16.200 818 HG2 LYS 100 HG2 LYS 100 1.218 11.885 16.647 819 HG3 LYS 100 HG3 LYS 100 -0.484 11.775 16.203 820 HD2 LYS 100 HD2 LYS 100 -0.864 10.169 18.034 821 HD3 LYS 100 HD3 LYS 100 0.839 10.278 18.484 822 HE2 LYS 100 HE2 LYS 100 0.583 12.685 18.923 823 HE3 LYS 100 HE3 LYS 100 -1.118 12.596 18.462 824 HZ1 LYS 100 HZ1 LYS 100 -1.659 11.417 20.334 825 HZ2 LYS 100 HZ2 LYS 100 -0.424 12.415 20.943 826 HZ3 LYS 100 HZ3 LYS 100 -0.097 10.794 20.545 827 H THR 101 H THR 101 3.305 9.408 14.471 828 HA THR 101 HA THR 101 2.799 7.471 12.293 829 HB THR 101 HB THR 101 4.628 9.030 11.801 830 HG1 THR 101 HG1 THR 101 5.484 6.414 12.471 831 HG21 THR 101 HG21 THR 101 5.250 9.544 14.155 832 HG22 THR 101 HG22 THR 101 6.648 9.102 13.178 833 HG23 THR 101 HG23 THR 101 5.953 7.933 14.300 834 H ALA 102 H ALA 102 2.952 5.320 12.652 835 HA ALA 102 HA ALA 102 4.322 4.287 15.008 836 HB1 ALA 102 HB1 ALA 102 1.896 4.871 15.642 837 HB2 ALA 102 HB2 ALA 102 2.473 3.248 16.027 838 HB3 ALA 102 HB3 ALA 102 1.440 3.507 14.621 839 H LEU 103 H LEU 103 5.138 2.300 14.693 840 HA LEU 103 HA LEU 103 5.118 1.158 12.066 841 HB2 LEU 103 HB2 LEU 103 6.279 0.160 14.676 842 HB3 LEU 103 HB3 LEU 103 6.539 -0.601 13.110 843 HG LEU 103 HG LEU 103 7.213 2.310 13.630 844 HD11 LEU 103 HD11 LEU 103 8.503 0.768 15.130 845 HD12 LEU 103 HD12 LEU 103 9.519 1.614 13.963 846 HD13 LEU 103 HD13 LEU 103 9.087 -0.075 13.695 847 HD21 LEU 103 HD21 LEU 103 6.984 1.736 11.276 848 HD22 LEU 103 HD22 LEU 103 7.970 0.292 11.486 849 HD23 LEU 103 HD23 LEU 103 8.703 1.890 11.634 850 H GLN 104 H GLN 104 4.265 -0.788 11.349 851 HA GLN 104 HA GLN 104 2.276 -2.082 13.107 852 HB2 GLN 104 HB2 GLN 104 0.895 -2.548 11.167 853 HB3 GLN 104 HB3 GLN 104 1.269 -0.829 11.151 854 HG2 GLN 104 HG2 GLN 104 3.317 -1.666 9.619 855 HG3 GLN 104 HG3 GLN 104 2.215 -3.001 9.316 856 HE21 GLN 104 HE21 GLN 104 -0.288 -1.694 9.236 857 HE22 GLN 104 HE22 GLN 104 -0.297 -0.583 7.954 858 H ASP 105 H ASP 105 2.153 -4.363 13.004 859 HA ASP 105 HA ASP 105 4.703 -5.589 12.224 860 HB2 ASP 105 HB2 ASP 105 3.981 -5.801 14.571 861 HB3 ASP 105 HB3 ASP 105 2.533 -6.653 14.039 862 H VAL 106 H VAL 106 4.811 -6.638 10.347 863 HA VAL 106 HA VAL 106 2.553 -7.430 8.829 864 HB VAL 106 HB VAL 106 5.466 -8.377 8.641 865 HG11 VAL 106 HG11 VAL 106 3.689 -9.861 7.514 866 HG12 VAL 106 HG12 VAL 106 4.952 -9.225 6.464 867 HG13 VAL 106 HG13 VAL 106 3.352 -8.485 6.462 868 HG21 VAL 106 HG21 VAL 106 5.742 -6.655 6.996 869 HG22 VAL 106 HG22 VAL 106 4.911 -5.875 8.343 870 HG23 VAL 106 HG23 VAL 106 4.008 -6.352 6.908 871 H GLU 107 H GLU 107 1.141 -8.960 9.452 872 HA GLU 107 HA GLU 107 1.776 -11.042 11.319 873 HB2 GLU 107 HB2 GLU 107 -0.514 -10.088 11.075 874 HB3 GLU 107 HB3 GLU 107 -0.612 -10.788 9.458 875 HG2 GLU 107 HG2 GLU 107 -0.354 -13.051 10.397 876 HG3 GLU 107 HG3 GLU 107 -0.196 -12.378 12.017 877 H SER 108 H SER 108 1.247 -10.866 7.826 878 HA SER 108 HA SER 108 3.164 -12.751 7.094 879 HB2 SER 108 HB2 SER 108 1.295 -14.469 6.238 880 HB3 SER 108 HB3 SER 108 2.095 -14.637 7.802 881 HG SER 108 HG SER 108 0.266 -14.077 8.755 882 H ILE 109 H ILE 109 2.735 -13.570 4.780 883 HA ILE 109 HA ILE 109 1.274 -11.505 3.217 884 HB ILE 109 HB ILE 109 3.874 -12.915 2.462 885 HG12 ILE 109 HG12 ILE 109 3.382 -9.970 3.036 886 HG13 ILE 109 HG13 ILE 109 3.980 -11.080 4.255 887 HG21 ILE 109 HG21 ILE 109 3.795 -11.207 0.561 888 HG22 ILE 109 HG22 ILE 109 2.125 -10.883 1.022 889 HG23 ILE 109 HG23 ILE 109 2.587 -12.488 0.456 890 HD11 ILE 109 HD11 ILE 109 5.905 -11.645 2.743 891 HD12 ILE 109 HD12 ILE 109 5.889 -9.952 3.240 892 HD13 ILE 109 HD13 ILE 109 5.340 -10.403 1.626 893 H GLU 110 H GLU 110 -0.290 -12.327 1.905 894 HA GLU 110 HA GLU 110 -0.244 -15.266 1.400 895 HB2 GLU 110 HB2 GLU 110 -2.668 -13.549 1.979 896 HB3 GLU 110 HB3 GLU 110 -2.704 -15.264 1.576 897 HG2 GLU 110 HG2 GLU 110 -1.294 -14.066 3.988 898 HG3 GLU 110 HG3 GLU 110 -2.844 -14.900 4.029 899 H LYS 111 H LYS 111 -0.246 -15.875 -0.625 900 HA LYS 111 HA LYS 111 -0.341 -14.043 -2.779 901 HB2 LYS 111 HB2 LYS 111 -0.540 -17.059 -2.732 902 HB3 LYS 111 HB3 LYS 111 -0.362 -16.096 -4.198 903 HG2 LYS 111 HG2 LYS 111 1.752 -15.162 -3.340 904 HG3 LYS 111 HG3 LYS 111 1.581 -16.121 -1.869 905 HD2 LYS 111 HD2 LYS 111 1.625 -18.193 -3.211 906 HD3 LYS 111 HD3 LYS 111 1.812 -17.235 -4.681 907 HE2 LYS 111 HE2 LYS 111 3.933 -16.319 -3.823 908 HE3 LYS 111 HE3 LYS 111 3.749 -17.267 -2.347 909 HZ1 LYS 111 HZ1 LYS 111 5.080 -18.612 -3.628 910 HZ2 LYS 111 HZ2 LYS 111 4.318 -18.182 -5.084 911 HZ3 LYS 111 HZ3 LYS 111 3.545 -19.231 -3.992 912 H LEU 112 H LEU 112 -1.937 -13.339 -4.018 913 HA LEU 112 HA LEU 112 -4.631 -14.542 -3.744 914 HB2 LEU 112 HB2 LEU 112 -3.730 -11.713 -3.737 915 HB3 LEU 112 HB3 LEU 112 -5.105 -12.022 -4.789 916 HG LEU 112 HG LEU 112 -6.227 -13.177 -2.819 917 HD11 LEU 112 HD11 LEU 112 -4.509 -13.712 -1.315 918 HD12 LEU 112 HD12 LEU 112 -5.237 -12.306 -0.547 919 HD13 LEU 112 HD13 LEU 112 -3.739 -12.137 -1.464 920 HD21 LEU 112 HD21 LEU 112 -6.898 -11.053 -1.766 921 HD22 LEU 112 HD22 LEU 112 -6.751 -10.842 -3.510 922 HD23 LEU 112 HD23 LEU 112 -5.479 -10.252 -2.441 923 H GLY 113 H GLY 113 -2.088 -13.531 -5.875 924 HA2 GLY 113 HA2 GLY 113 -1.649 -14.241 -8.002 925 HA3 GLY 113 HA3 GLY 113 -3.204 -15.041 -8.046 926 H VAL 114 H VAL 114 -3.541 -14.313 -10.163 927 HA VAL 114 HA VAL 114 -3.386 -11.630 -11.001 928 HB VAL 114 HB VAL 114 -5.016 -13.932 -12.141 929 HG11 VAL 114 HG11 VAL 114 -5.831 -11.768 -12.986 930 HG12 VAL 114 HG12 VAL 114 -4.971 -12.640 -14.254 931 HG13 VAL 114 HG13 VAL 114 -4.184 -11.305 -13.414 932 HG21 VAL 114 HG21 VAL 114 -2.217 -12.897 -12.668 933 HG22 VAL 114 HG22 VAL 114 -3.059 -13.974 -13.783 934 HG23 VAL 114 HG23 VAL 114 -2.685 -14.516 -12.148 935 H ASN 115 H ASN 115 -4.607 -9.969 -10.569 936 HA ASN 115 HA ASN 115 -7.492 -10.225 -10.134 937 HB2 ASN 115 HB2 ASN 115 -5.554 -9.001 -8.174 938 HB3 ASN 115 HB3 ASN 115 -7.260 -8.578 -8.197 939 HD21 ASN 115 HD21 ASN 115 -5.985 -9.867 -5.952 940 HD22 ASN 115 HD22 ASN 115 -6.669 -11.415 -5.782 941 H HIS 116 H HIS 116 -8.537 -8.032 -10.110 942 HA HIS 116 HA HIS 116 -7.469 -6.375 -12.227 943 HB2 HIS 116 HB2 HIS 116 -9.846 -5.948 -10.383 944 HB3 HIS 116 HB3 HIS 116 -9.459 -4.952 -11.785 945 HD2 HIS 116 HD2 HIS 116 -11.475 -8.089 -11.010 946 HE1 HIS 116 HE1 HIS 116 -10.743 -8.212 -15.165 947 HE2 HIS 116 HE2 HIS 116 -12.087 -9.239 -13.270 948 H VAL 117 H VAL 117 -6.155 -4.662 -11.958 949 HA VAL 117 HA VAL 117 -5.831 -3.552 -9.245 950 HB VAL 117 HB VAL 117 -3.326 -3.208 -9.981 951 HG11 VAL 117 HG11 VAL 117 -3.603 -4.474 -8.087 952 HG12 VAL 117 HG12 VAL 117 -2.867 -5.668 -9.153 953 HG13 VAL 117 HG13 VAL 117 -4.614 -5.683 -8.880 954 HG21 VAL 117 HG21 VAL 117 -3.812 -5.791 -11.488 955 HG22 VAL 117 HG22 VAL 117 -2.424 -4.701 -11.577 956 HG23 VAL 117 HG23 VAL 117 -3.955 -4.241 -12.319 957 H TYR 118 H TYR 118 -5.472 -1.458 -8.981 958 HA TYR 118 HA TYR 118 -5.038 0.273 -11.287 959 HB2 TYR 118 HB2 TYR 118 -7.265 0.998 -9.339 960 HB3 TYR 118 HB3 TYR 118 -6.881 1.686 -10.910 961 HD1 TYR 118 HD1 TYR 118 -8.280 -1.357 -9.258 962 HD2 TYR 118 HD2 TYR 118 -7.767 0.773 -12.931 963 HE1 TYR 118 HE1 TYR 118 -9.869 -2.892 -10.347 964 HE2 TYR 118 HE2 TYR 118 -9.361 -0.773 -14.050 965 HH TYR 118 HH TYR 118 -11.489 -2.581 -12.570 966 H ASP 119 H ASP 119 -4.117 2.320 -10.642 967 HA ASP 119 HA ASP 119 -3.642 2.973 -7.876 968 HB2 ASP 119 HB2 ASP 119 -2.023 1.082 -8.366 969 HB3 ASP 119 HB3 ASP 119 -1.208 2.185 -9.480 970 H ILE 120 H ILE 120 -2.380 4.997 -7.615 971 HA ILE 120 HA ILE 120 -2.273 6.566 -10.128 972 HB ILE 120 HB ILE 120 -3.290 8.474 -9.200 973 HG12 ILE 120 HG12 ILE 120 -2.208 8.700 -7.015 974 HG13 ILE 120 HG13 ILE 120 -3.944 8.701 -6.762 975 HG21 ILE 120 HG21 ILE 120 -4.766 6.347 -9.523 976 HG22 ILE 120 HG22 ILE 120 -5.458 7.810 -8.829 977 HG23 ILE 120 HG23 ILE 120 -5.000 6.469 -7.783 978 HD11 ILE 120 HD11 ILE 120 -3.233 7.211 -5.092 979 HD12 ILE 120 HD12 ILE 120 -1.964 6.523 -6.105 980 HD13 ILE 120 HD13 ILE 120 -3.652 6.109 -6.406 981 H GLU 121 H GLU 121 -1.020 8.581 -9.956 982 HA GLU 121 HA GLU 121 1.482 8.094 -8.469 983 HB2 GLU 121 HB2 GLU 121 1.007 9.644 -11.025 984 HB3 GLU 121 HB3 GLU 121 2.561 9.476 -10.221 985 HG2 GLU 121 HG2 GLU 121 2.394 6.998 -10.485 986 HG3 GLU 121 HG3 GLU 121 0.881 7.221 -11.366 987 H VAL 122 H VAL 122 2.594 9.920 -7.567 988 HA VAL 122 HA VAL 122 0.783 12.180 -6.943 989 HB VAL 122 HB VAL 122 2.057 12.474 -4.853 990 HG11 VAL 122 HG11 VAL 122 1.223 10.400 -3.727 991 HG12 VAL 122 HG12 VAL 122 0.890 9.716 -5.318 992 HG13 VAL 122 HG13 VAL 122 0.025 11.156 -4.779 993 HG21 VAL 122 HG21 VAL 122 3.812 11.086 -4.196 994 HG22 VAL 122 HG22 VAL 122 4.128 11.223 -5.922 995 HG23 VAL 122 HG23 VAL 122 3.356 9.773 -5.284 996 H GLU 123 H GLU 123 1.531 14.207 -6.960 997 HA GLU 123 HA GLU 123 3.385 14.791 -9.002 998 HB2 GLU 123 HB2 GLU 123 2.865 17.178 -8.532 999 HB3 GLU 123 HB3 GLU 123 1.457 16.162 -8.814 1000 HG2 GLU 123 HG2 GLU 123 0.870 17.446 -6.947 1001 HG3 GLU 123 HG3 GLU 123 1.328 15.904 -6.258 1002 H HIS 124 H HIS 124 3.968 14.841 -5.485 1003 HA HIS 124 HA HIS 124 6.604 16.111 -6.102 1004 HB2 HIS 124 HB2 HIS 124 5.009 17.482 -4.724 1005 HB3 HIS 124 HB3 HIS 124 5.172 16.272 -3.449 1006 HD2 HIS 124 HD2 HIS 124 7.505 16.507 -1.932 1007 HE1 HIS 124 HE1 HIS 124 9.372 19.494 -4.259 1008 HE2 HIS 124 HE2 HIS 124 9.528 18.148 -2.109 1009 H ASN 125 H ASN 125 5.275 14.156 -3.395 1010 HA ASN 125 HA ASN 125 7.778 13.217 -2.574 1011 HB2 ASN 125 HB2 ASN 125 5.855 13.371 -1.118 1012 HB3 ASN 125 HB3 ASN 125 5.055 12.054 -1.980 1013 HD21 ASN 125 HD21 ASN 125 5.103 11.043 0.224 1014 HD22 ASN 125 HD22 ASN 125 6.493 10.187 0.679 1015 H HIS 126 H HIS 126 5.644 11.938 -4.978 1016 HA HIS 126 HA HIS 126 5.869 10.233 -6.496 1017 HB2 HIS 126 HB2 HIS 126 8.696 9.947 -5.435 1018 HB3 HIS 126 HB3 HIS 126 8.065 9.211 -6.901 1019 HD2 HIS 126 HD2 HIS 126 9.791 12.444 -5.888 1020 HE1 HIS 126 HE1 HIS 126 7.890 13.275 -9.563 1021 HE2 HIS 126 HE2 HIS 126 9.583 14.125 -7.873 1022 H ASN 127 H ASN 127 5.010 9.724 -3.645 1023 HA ASN 127 HA ASN 127 4.700 6.893 -4.002 1024 HB2 ASN 127 HB2 ASN 127 5.517 6.201 -1.788 1025 HB3 ASN 127 HB3 ASN 127 6.824 6.849 -2.775 1026 HD21 ASN 127 HD21 ASN 127 8.079 8.412 -1.781 1027 HD22 ASN 127 HD22 ASN 127 7.616 9.293 -0.410 1028 H PHE 128 H PHE 128 3.326 5.961 -2.118 1029 HA PHE 128 HA PHE 128 1.595 7.912 -0.831 1030 HB2 PHE 128 HB2 PHE 128 -0.471 7.134 -1.921 1031 HB3 PHE 128 HB3 PHE 128 0.640 7.834 -3.097 1032 HD1 PHE 128 HD1 PHE 128 -0.845 4.713 -1.822 1033 HD2 PHE 128 HD2 PHE 128 1.762 6.439 -4.763 1034 HE1 PHE 128 HE1 PHE 128 -0.875 2.589 -3.096 1035 HE2 PHE 128 HE2 PHE 128 1.725 4.306 -6.037 1036 HZ PHE 128 HZ PHE 128 0.411 2.387 -5.200 1037 H VAL 129 H VAL 129 -0.188 6.842 0.410 1038 HA VAL 129 HA VAL 129 0.770 4.290 1.558 1039 HB VAL 129 HB VAL 129 -1.028 6.404 2.799 1040 HG11 VAL 129 HG11 VAL 129 0.275 3.980 4.079 1041 HG12 VAL 129 HG12 VAL 129 -1.424 4.080 3.620 1042 HG13 VAL 129 HG13 VAL 129 -0.787 5.143 4.874 1043 HG21 VAL 129 HG21 VAL 129 1.148 7.351 2.714 1044 HG22 VAL 129 HG22 VAL 129 1.930 5.812 3.078 1045 HG23 VAL 129 HG23 VAL 129 1.029 6.667 4.332 1046 H ALA 130 H ALA 130 -0.377 2.554 0.986 1047 HA ALA 130 HA ALA 130 -3.201 2.866 0.220 1048 HB1 ALA 130 HB1 ALA 130 -1.472 1.836 -1.380 1049 HB2 ALA 130 HB2 ALA 130 -2.988 0.967 -1.131 1050 HB3 ALA 130 HB3 ALA 130 -1.522 0.435 -0.308 1051 H ASN 131 H ASN 131 -4.620 2.319 1.716 1052 HA ASN 131 HA ASN 131 -5.602 1.379 3.548 1053 HB2 ASN 131 HB2 ASN 131 -5.396 -0.577 1.907 1054 HB3 ASN 131 HB3 ASN 131 -4.024 -1.104 2.875 1055 HD21 ASN 131 HD21 ASN 131 -6.651 -2.493 2.577 1056 HD22 ASN 131 HD22 ASN 131 -7.294 -2.607 4.141 1057 H GLY 132 H GLY 132 -3.286 2.877 4.078 1058 HA2 GLY 132 HA2 GLY 132 -2.159 3.429 6.029 1059 HA3 GLY 132 HA3 GLY 132 -2.630 1.881 6.710 1060 H LEU 133 H LEU 133 -1.266 1.177 3.744 1061 HA LEU 133 HA LEU 133 1.374 0.679 4.982 1062 HB2 LEU 133 HB2 LEU 133 0.152 -1.365 4.276 1063 HB3 LEU 133 HB3 LEU 133 0.068 -0.759 2.628 1064 HG LEU 133 HG LEU 133 2.605 -0.691 2.616 1065 HD11 LEU 133 HD11 LEU 133 3.790 -2.016 4.315 1066 HD12 LEU 133 HD12 LEU 133 2.273 -2.310 5.162 1067 HD13 LEU 133 HD13 LEU 133 2.931 -0.678 5.078 1068 HD21 LEU 133 HD21 LEU 133 2.824 -3.190 2.403 1069 HD22 LEU 133 HD22 LEU 133 1.440 -2.528 1.533 1070 HD23 LEU 133 HD23 LEU 133 1.204 -3.342 3.080 1071 H LEU 134 H LEU 134 2.972 1.979 4.346 1072 HA LEU 134 HA LEU 134 2.723 3.722 2.086 1073 HB2 LEU 134 HB2 LEU 134 3.897 4.530 4.044 1074 HB3 LEU 134 HB3 LEU 134 5.044 3.200 3.969 1075 HG LEU 134 HG LEU 134 5.909 4.073 1.798 1076 HD11 LEU 134 HD11 LEU 134 4.042 5.197 0.825 1077 HD12 LEU 134 HD12 LEU 134 5.212 6.466 1.184 1078 HD13 LEU 134 HD13 LEU 134 3.820 6.226 2.243 1079 HD21 LEU 134 HD21 LEU 134 5.862 6.349 3.778 1080 HD22 LEU 134 HD22 LEU 134 7.185 5.848 2.734 1081 HD23 LEU 134 HD23 LEU 134 6.729 4.864 4.121 1082 H VAL 135 H VAL 135 3.313 3.457 0.076 1083 HA VAL 135 HA VAL 135 5.250 1.334 -0.607 1084 HB VAL 135 HB VAL 135 3.897 0.747 -2.594 1085 HG11 VAL 135 HG11 VAL 135 3.652 -0.414 -0.350 1086 HG12 VAL 135 HG12 VAL 135 2.287 -0.589 -1.448 1087 HG13 VAL 135 HG13 VAL 135 2.197 0.549 -0.104 1088 HG21 VAL 135 HG21 VAL 135 1.551 1.542 -2.744 1089 HG22 VAL 135 HG22 VAL 135 2.679 2.893 -2.849 1090 HG23 VAL 135 HG23 VAL 135 1.813 2.583 -1.345 1091 H HIS 136 H HIS 136 6.606 1.743 -2.251 1092 HA HIS 136 HA HIS 136 7.068 4.458 -3.055 1093 HB2 HIS 136 HB2 HIS 136 8.889 2.786 -2.680 1094 HB3 HIS 136 HB3 HIS 136 8.344 1.917 -4.101 1095 HD2 HIS 136 HD2 HIS 136 10.406 5.089 -3.168 1096 HE1 HIS 136 HE1 HIS 136 10.152 4.978 -7.380 1097 HE2 HIS 136 HE2 HIS 136 11.258 6.128 -5.406 1098 H ASN 137 H ASN 137 6.795 5.378 -5.101 1099 HA ASN 137 HA ASN 137 5.853 3.909 -7.359 1100 HB2 ASN 137 HB2 ASN 137 3.751 3.835 -6.159 1101 HB3 ASN 137 HB3 ASN 137 3.824 5.562 -5.830 1102 HD21 ASN 137 HD21 ASN 137 3.471 3.197 -8.503 1103 HD22 ASN 137 HD22 ASN 137 2.691 4.273 -9.557 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 2.675 0.052 -5.965 2 H2 GLU 1 HT2 GLU 1 4.328 -0.270 -6.195 3 H3 GLU 1 HT3 GLU 1 3.180 -1.505 -6.405 4 HA GLU 1 HA GLU 1 3.561 0.896 -8.104 5 HB2 GLU 1 HB2 GLU 1 5.100 -1.104 -8.385 6 HB3 GLU 1 HB3 GLU 1 3.673 -2.041 -8.830 7 HG2 GLU 1 HG2 GLU 1 3.205 -0.463 -10.665 8 HG3 GLU 1 HG3 GLU 1 4.627 0.479 -10.225 9 H ALA 2 H ALA 2 1.566 -1.923 -7.303 10 HA ALA 2 HA ALA 2 -0.732 -0.630 -8.571 11 HB1 ALA 2 HB1 ALA 2 0.581 -2.490 -9.999 12 HB2 ALA 2 HB2 ALA 2 -1.161 -2.250 -10.102 13 HB3 ALA 2 HB3 ALA 2 -0.506 -3.539 -9.090 14 H LEU 3 H LEU 3 -2.696 -1.088 -7.662 15 HA LEU 3 HA LEU 3 -2.691 -2.864 -5.288 16 HB2 LEU 3 HB2 LEU 3 -4.279 -0.305 -5.710 17 HB3 LEU 3 HB3 LEU 3 -4.395 -1.345 -4.290 18 HG LEU 3 HG LEU 3 -2.985 0.458 -3.606 19 HD11 LEU 3 HD11 LEU 3 -1.120 -0.599 -2.827 20 HD12 LEU 3 HD12 LEU 3 -0.687 -1.285 -4.393 21 HD13 LEU 3 HD13 LEU 3 -1.970 -2.014 -3.437 22 HD21 LEU 3 HD21 LEU 3 -1.384 1.558 -4.929 23 HD22 LEU 3 HD22 LEU 3 -2.626 1.148 -6.107 24 HD23 LEU 3 HD23 LEU 3 -1.158 0.175 -5.994 25 H THR 4 H THR 4 -4.455 -4.267 -5.050 26 HA THR 4 HA THR 4 -5.872 -4.964 -7.433 27 HB THR 4 HB THR 4 -7.139 -6.537 -6.025 28 HG1 THR 4 HG1 THR 4 -7.475 -5.376 -4.191 29 HG21 THR 4 HG21 THR 4 -4.278 -6.499 -5.065 30 HG22 THR 4 HG22 THR 4 -4.713 -6.937 -6.716 31 HG23 THR 4 HG23 THR 4 -5.315 -7.895 -5.362 32 H GLY 5 H GLY 5 -8.221 -4.954 -7.752 33 HA2 GLY 5 HA2 GLY 5 -9.362 -2.428 -7.670 34 HA3 GLY 5 HA3 GLY 5 -10.254 -3.913 -7.910 35 H ASP 6 H ASP 6 -9.859 -5.141 -5.440 36 HA ASP 6 HA ASP 6 -11.841 -3.810 -3.863 37 HB2 ASP 6 HB2 ASP 6 -10.126 -6.237 -3.302 38 HB3 ASP 6 HB3 ASP 6 -11.342 -5.615 -2.183 39 H ALA 7 H ALA 7 -8.360 -3.753 -3.870 40 HA ALA 7 HA ALA 7 -7.868 -2.980 -1.213 41 HB1 ALA 7 HB1 ALA 7 -5.717 -2.120 -2.029 42 HB2 ALA 7 HB2 ALA 7 -6.289 -2.263 -3.688 43 HB3 ALA 7 HB3 ALA 7 -6.070 -3.708 -2.708 44 H LEU 8 H LEU 8 -7.335 -0.930 -0.316 45 HA LEU 8 HA LEU 8 -8.641 1.349 -1.665 46 HB2 LEU 8 HB2 LEU 8 -9.548 2.081 0.490 47 HB3 LEU 8 HB3 LEU 8 -10.190 0.513 0.012 48 HG LEU 8 HG LEU 8 -7.708 0.541 1.747 49 HD11 LEU 8 HD11 LEU 8 -9.286 2.194 2.776 50 HD12 LEU 8 HD12 LEU 8 -8.967 0.786 3.790 51 HD13 LEU 8 HD13 LEU 8 -10.484 0.906 2.896 52 HD21 LEU 8 HD21 LEU 8 -8.512 -1.629 1.045 53 HD22 LEU 8 HD22 LEU 8 -10.171 -1.217 1.473 54 HD23 LEU 8 HD23 LEU 8 -8.966 -1.451 2.739 55 H ILE 9 H ILE 9 -7.831 3.381 -1.294 56 HA ILE 9 HA ILE 9 -5.231 3.548 0.082 57 HB ILE 9 HB ILE 9 -6.023 4.856 -2.554 58 HG12 ILE 9 HG12 ILE 9 -3.754 2.939 -1.960 59 HG13 ILE 9 HG13 ILE 9 -5.337 2.385 -2.471 60 HG21 ILE 9 HG21 ILE 9 -4.540 6.293 -0.999 61 HG22 ILE 9 HG22 ILE 9 -3.866 5.929 -2.582 62 HG23 ILE 9 HG23 ILE 9 -3.321 5.029 -1.173 63 HD11 ILE 9 HD11 ILE 9 -3.763 2.613 -4.396 64 HD12 ILE 9 HD12 ILE 9 -3.586 4.327 -4.023 65 HD13 ILE 9 HD13 ILE 9 -5.145 3.697 -4.554 66 H LEU 10 H LEU 10 -4.776 5.364 1.238 67 HA LEU 10 HA LEU 10 -6.940 6.829 2.349 68 HB2 LEU 10 HB2 LEU 10 -3.940 7.188 2.448 69 HB3 LEU 10 HB3 LEU 10 -5.065 8.214 3.336 70 HG LEU 10 HG LEU 10 -5.087 5.196 3.591 71 HD11 LEU 10 HD11 LEU 10 -3.736 7.164 5.466 72 HD12 LEU 10 HD12 LEU 10 -2.863 6.237 4.245 73 HD13 LEU 10 HD13 LEU 10 -3.700 5.402 5.552 74 HD21 LEU 10 HD21 LEU 10 -7.120 6.089 4.443 75 HD22 LEU 10 HD22 LEU 10 -6.339 7.539 5.066 76 HD23 LEU 10 HD23 LEU 10 -6.113 6.002 5.885 77 H SER 11 H SER 11 -7.739 8.793 1.829 78 HA SER 11 HA SER 11 -6.397 10.390 -0.236 79 HB2 SER 11 HB2 SER 11 -8.580 10.848 -1.277 80 HB3 SER 11 HB3 SER 11 -8.166 9.145 -1.373 81 HG SER 11 HG SER 11 -9.760 10.309 0.675 82 H ASP 12 H ASP 12 -7.913 12.557 -0.378 83 HA ASP 12 HA ASP 12 -7.291 13.991 1.921 84 HB2 ASP 12 HB2 ASP 12 -7.634 15.069 -0.231 85 HB3 ASP 12 HB3 ASP 12 -9.336 14.632 -0.235 86 H ARG 13 H ARG 13 -10.349 12.476 0.956 87 HA ARG 13 HA ARG 13 -11.820 13.373 3.261 88 HB2 ARG 13 HB2 ARG 13 -12.862 12.646 1.059 89 HB3 ARG 13 HB3 ARG 13 -12.499 10.986 1.538 90 HG2 ARG 13 HG2 ARG 13 -13.731 11.624 3.779 91 HG3 ARG 13 HG3 ARG 13 -14.399 12.949 2.829 92 HD2 ARG 13 HD2 ARG 13 -15.985 11.206 2.634 93 HD3 ARG 13 HD3 ARG 13 -15.080 11.151 1.123 94 HE ARG 13 HE ARG 13 -13.697 9.394 2.634 95 HH11 ARG 13 HH11 ARG 13 -17.146 9.702 2.038 96 HH12 ARG 13 HH12 ARG 13 -17.463 8.018 2.294 97 HH21 ARG 13 HH21 ARG 13 -14.162 7.221 3.019 98 HH22 ARG 13 HH22 ARG 13 -15.778 6.620 2.847 99 H GLY 14 H GLY 14 -9.918 10.497 2.454 100 HA2 GLY 14 HA2 GLY 14 -8.924 9.573 4.688 101 HA3 GLY 14 HA3 GLY 14 -10.618 9.233 5.027 102 H TRP 15 H TRP 15 -10.091 6.968 5.153 103 HA TRP 15 HA TRP 15 -8.881 5.459 3.086 104 HB2 TRP 15 HB2 TRP 15 -10.508 4.870 5.520 105 HB3 TRP 15 HB3 TRP 15 -10.463 3.603 4.307 106 HD1 TRP 15 HD1 TRP 15 -7.653 3.325 3.372 107 HE1 TRP 15 HE1 TRP 15 -5.672 2.846 4.940 108 HE3 TRP 15 HE3 TRP 15 -9.616 4.942 7.806 109 HZ2 TRP 15 HZ2 TRP 15 -5.001 3.104 7.707 110 HZ3 TRP 15 HZ3 TRP 15 -8.281 4.809 9.893 111 HH2 TRP 15 HH2 TRP 15 -5.977 3.892 9.846 112 H LEU 16 H LEU 16 -9.606 5.229 1.067 113 HA LEU 16 HA LEU 16 -12.367 4.366 0.665 114 HB2 LEU 16 HB2 LEU 16 -11.185 6.820 -0.617 115 HB3 LEU 16 HB3 LEU 16 -12.431 5.877 -1.438 116 HG LEU 16 HG LEU 16 -12.776 6.898 1.391 117 HD11 LEU 16 HD11 LEU 16 -13.459 8.192 -1.258 118 HD12 LEU 16 HD12 LEU 16 -12.488 8.871 0.048 119 HD13 LEU 16 HD13 LEU 16 -14.227 8.666 0.255 120 HD21 LEU 16 HD21 LEU 16 -15.264 6.655 0.517 121 HD22 LEU 16 HD22 LEU 16 -14.382 5.204 0.976 122 HD23 LEU 16 HD23 LEU 16 -14.546 5.632 -0.724 123 H ARG 17 H ARG 17 -12.727 3.196 -1.284 124 HA ARG 17 HA ARG 17 -10.722 1.387 -1.914 125 HB2 ARG 17 HB2 ARG 17 -13.132 0.992 -2.311 126 HB3 ARG 17 HB3 ARG 17 -13.077 2.108 -3.671 127 HG2 ARG 17 HG2 ARG 17 -11.625 0.688 -4.924 128 HG3 ARG 17 HG3 ARG 17 -11.234 -0.292 -3.508 129 HD2 ARG 17 HD2 ARG 17 -14.022 -0.087 -4.666 130 HD3 ARG 17 HD3 ARG 17 -12.879 -1.355 -5.109 131 HE ARG 17 HE ARG 17 -12.901 -1.506 -2.390 132 HH11 ARG 17 HH11 ARG 17 -15.493 -1.486 -4.766 133 HH12 ARG 17 HH12 ARG 17 -16.556 -2.447 -3.794 134 HH21 ARG 17 HH21 ARG 17 -14.320 -2.750 -1.154 135 HH22 ARG 17 HH22 ARG 17 -15.892 -3.159 -1.757 136 H ILE 18 H ILE 18 -9.256 1.142 -3.481 137 HA ILE 18 HA ILE 18 -7.724 3.200 -4.323 138 HB ILE 18 HB ILE 18 -6.789 1.672 -6.052 139 HG12 ILE 18 HG12 ILE 18 -8.207 -0.768 -5.169 140 HG13 ILE 18 HG13 ILE 18 -9.359 0.345 -5.853 141 HG21 ILE 18 HG21 ILE 18 -5.569 1.254 -4.207 142 HG22 ILE 18 HG22 ILE 18 -6.463 -0.243 -4.088 143 HG23 ILE 18 HG23 ILE 18 -6.966 1.150 -3.143 144 HD11 ILE 18 HD11 ILE 18 -7.680 -1.387 -7.269 145 HD12 ILE 18 HD12 ILE 18 -6.914 0.163 -7.485 146 HD13 ILE 18 HD13 ILE 18 -8.598 -0.057 -7.955 147 H ASP 19 H ASP 19 -10.741 2.341 -5.818 148 HA ASP 19 HA ASP 19 -10.066 4.038 -8.153 149 HB2 ASP 19 HB2 ASP 19 -10.644 1.813 -8.837 150 HB3 ASP 19 HB3 ASP 19 -12.121 1.819 -7.885 151 H ASP 20 H ASP 20 -10.977 4.955 -5.428 152 HA ASP 20 HA ASP 20 -13.637 6.020 -5.898 153 HB2 ASP 20 HB2 ASP 20 -13.492 6.983 -3.701 154 HB3 ASP 20 HB3 ASP 20 -12.834 5.353 -3.612 155 HA PRO 21 HA PRO 21 -12.472 9.892 -7.806 156 HB2 PRO 21 HB2 PRO 21 -14.276 11.653 -6.773 157 HB3 PRO 21 HB3 PRO 21 -14.697 10.428 -7.991 158 HG2 PRO 21 HG2 PRO 21 -15.094 10.359 -5.035 159 HG3 PRO 21 HG3 PRO 21 -16.208 9.889 -6.332 160 HD2 PRO 21 HD2 PRO 21 -14.798 8.042 -4.958 161 HD3 PRO 21 HD3 PRO 21 -15.160 7.841 -6.691 162 H THR 22 H THR 22 -12.468 9.575 -4.347 163 HA THR 22 HA THR 22 -11.477 12.147 -3.671 164 HB THR 22 HB THR 22 -10.882 9.709 -1.983 165 HG1 THR 22 HG1 THR 22 -13.028 9.463 -2.657 166 HG21 THR 22 HG21 THR 22 -11.254 11.239 -0.185 167 HG22 THR 22 HG22 THR 22 -11.948 12.444 -1.265 168 HG23 THR 22 HG23 THR 22 -10.227 12.084 -1.346 169 H LEU 23 H LEU 23 -9.826 9.047 -4.372 170 HA LEU 23 HA LEU 23 -7.243 10.393 -4.182 171 HB2 LEU 23 HB2 LEU 23 -6.197 8.239 -4.411 172 HB3 LEU 23 HB3 LEU 23 -7.497 8.106 -3.241 173 HG LEU 23 HG LEU 23 -8.882 7.421 -5.506 174 HD11 LEU 23 HD11 LEU 23 -6.700 7.644 -6.827 175 HD12 LEU 23 HD12 LEU 23 -7.579 6.132 -7.023 176 HD13 LEU 23 HD13 LEU 23 -6.164 6.196 -5.979 177 HD21 LEU 23 HD21 LEU 23 -7.208 5.239 -4.246 178 HD22 LEU 23 HD22 LEU 23 -8.922 5.249 -4.642 179 HD23 LEU 23 HD23 LEU 23 -8.345 6.128 -3.235 180 H GLN 24 H GLN 24 -9.619 9.785 -6.552 181 HA GLN 24 HA GLN 24 -7.780 9.763 -8.795 182 HB2 GLN 24 HB2 GLN 24 -10.579 9.114 -8.356 183 HB3 GLN 24 HB3 GLN 24 -10.457 10.247 -9.693 184 HG2 GLN 24 HG2 GLN 24 -10.343 7.887 -10.479 185 HG3 GLN 24 HG3 GLN 24 -8.848 8.759 -10.831 186 HE21 GLN 24 HE21 GLN 24 -10.240 6.084 -9.083 187 HE22 GLN 24 HE22 GLN 24 -8.797 5.532 -8.385 188 H GLU 25 H GLU 25 -9.833 12.108 -7.113 189 HA GLU 25 HA GLU 25 -8.858 14.211 -8.960 190 HB2 GLU 25 HB2 GLU 25 -11.559 14.030 -7.628 191 HB3 GLU 25 HB3 GLU 25 -10.983 15.413 -8.557 192 HG2 GLU 25 HG2 GLU 25 -10.697 13.977 -10.538 193 HG3 GLU 25 HG3 GLU 25 -11.264 12.585 -9.617 194 H CYS 26 H CYS 26 -8.877 13.232 -5.658 195 HA CYS 26 HA CYS 26 -8.072 15.955 -4.862 196 HB2 CYS 26 HB2 CYS 26 -9.591 13.985 -3.120 197 HB3 CYS 26 HB3 CYS 26 -8.975 15.550 -2.627 198 HG CYS 26 HG CYS 26 -11.598 15.252 -3.826 199 H ARG 27 H ARG 27 -6.703 15.983 -2.907 200 HA ARG 27 HA ARG 27 -4.338 14.627 -3.488 201 HB2 ARG 27 HB2 ARG 27 -5.098 16.058 -0.938 202 HB3 ARG 27 HB3 ARG 27 -3.462 15.575 -1.379 203 HG2 ARG 27 HG2 ARG 27 -3.490 17.024 -3.317 204 HG3 ARG 27 HG3 ARG 27 -5.197 17.395 -3.069 205 HD2 ARG 27 HD2 ARG 27 -2.980 18.057 -1.109 206 HD3 ARG 27 HD3 ARG 27 -3.712 19.204 -2.225 207 HE ARG 27 HE ARG 27 -5.781 18.025 -0.716 208 HH11 ARG 27 HH11 ARG 27 -3.020 20.129 -0.165 209 HH12 ARG 27 HH12 ARG 27 -3.746 20.932 1.186 210 HH21 ARG 27 HH21 ARG 27 -6.698 19.108 1.043 211 HH22 ARG 27 HH22 ARG 27 -5.820 20.355 1.865 212 H VAL 28 H VAL 28 -3.091 13.139 -2.302 213 HA VAL 28 HA VAL 28 -4.588 11.424 -0.411 214 HB VAL 28 HB VAL 28 -3.465 9.428 -1.360 215 HG11 VAL 28 HG11 VAL 28 -4.757 9.528 -3.616 216 HG12 VAL 28 HG12 VAL 28 -5.263 11.133 -3.087 217 HG13 VAL 28 HG13 VAL 28 -5.671 9.716 -2.122 218 HG21 VAL 28 HG21 VAL 28 -2.434 9.667 -3.645 219 HG22 VAL 28 HG22 VAL 28 -1.507 10.480 -2.383 220 HG23 VAL 28 HG23 VAL 28 -2.536 11.419 -3.465 221 H LEU 29 H LEU 29 -3.267 10.195 1.078 222 HA LEU 29 HA LEU 29 -1.200 11.838 2.165 223 HB2 LEU 29 HB2 LEU 29 -2.281 9.149 3.015 224 HB3 LEU 29 HB3 LEU 29 -1.064 10.046 3.920 225 HG LEU 29 HG LEU 29 -3.772 11.204 3.178 226 HD11 LEU 29 HD11 LEU 29 -4.572 10.628 5.345 227 HD12 LEU 29 HD12 LEU 29 -2.966 10.158 5.904 228 HD13 LEU 29 HD13 LEU 29 -3.821 9.157 4.733 229 HD21 LEU 29 HD21 LEU 29 -2.168 12.945 3.667 230 HD22 LEU 29 HD22 LEU 29 -1.534 12.057 5.053 231 HD23 LEU 29 HD23 LEU 29 -3.153 12.754 5.119 232 H SER 30 H SER 30 0.924 11.491 2.425 233 HA SER 30 HA SER 30 2.258 9.103 1.427 234 HB2 SER 30 HB2 SER 30 3.672 10.298 -0.159 235 HB3 SER 30 HB3 SER 30 1.991 10.518 -0.620 236 HG SER 30 HG SER 30 2.052 12.563 0.131 237 H TYR 31 H TYR 31 4.671 9.282 1.832 238 HA TYR 31 HA TYR 31 5.106 10.826 4.302 239 HB2 TYR 31 HB2 TYR 31 5.428 8.293 4.313 240 HB3 TYR 31 HB3 TYR 31 6.795 8.559 3.230 241 HD1 TYR 31 HD1 TYR 31 5.481 9.142 6.634 242 HD2 TYR 31 HD2 TYR 31 8.843 9.600 4.003 243 HE1 TYR 31 HE1 TYR 31 6.922 9.695 8.575 244 HE2 TYR 31 HE2 TYR 31 10.286 10.153 5.942 245 HH TYR 31 HH TYR 31 9.316 9.630 9.160 246 H ASN 32 H ASN 32 5.991 12.723 3.866 247 HA ASN 32 HA ASN 32 7.617 13.116 1.528 248 HB2 ASN 32 HB2 ASN 32 6.391 14.829 3.607 249 HB3 ASN 32 HB3 ASN 32 7.921 15.424 2.970 250 HD21 ASN 32 HD21 ASN 32 8.003 16.073 0.735 251 HD22 ASN 32 HD22 ASN 32 6.599 16.222 -0.212 252 H GLU 33 H GLU 33 9.444 12.002 1.635 253 HA GLU 33 HA GLU 33 11.086 11.625 3.894 254 HB2 GLU 33 HB2 GLU 33 11.733 11.647 0.943 255 HB3 GLU 33 HB3 GLU 33 12.908 11.209 2.184 256 HG2 GLU 33 HG2 GLU 33 11.527 9.373 2.941 257 HG3 GLU 33 HG3 GLU 33 10.203 9.870 1.896 258 H SER 34 H SER 34 10.763 14.299 1.688 259 HA SER 34 HA SER 34 13.171 15.667 2.116 260 HB2 SER 34 HB2 SER 34 11.621 16.223 0.305 261 HB3 SER 34 HB3 SER 34 10.418 16.743 1.481 262 HG SER 34 HG SER 34 11.872 18.397 0.490 263 H THR 35 H THR 35 10.038 15.923 3.837 264 HA THR 35 HA THR 35 11.357 17.616 5.886 265 HB THR 35 HB THR 35 9.076 18.344 6.513 266 HG1 THR 35 HG1 THR 35 7.880 16.596 5.856 267 HG21 THR 35 HG21 THR 35 8.673 19.701 4.513 268 HG22 THR 35 HG22 THR 35 9.707 18.633 3.563 269 HG23 THR 35 HG23 THR 35 10.400 19.611 4.855 270 H GLN 36 H GLN 36 10.502 14.444 5.478 271 HA GLN 36 HA GLN 36 10.184 12.652 6.847 272 HB2 GLN 36 HB2 GLN 36 11.283 14.518 8.978 273 HB3 GLN 36 HB3 GLN 36 11.166 12.766 9.109 274 HG2 GLN 36 HG2 GLN 36 13.395 13.080 8.445 275 HG3 GLN 36 HG3 GLN 36 12.590 12.747 6.912 276 HE21 GLN 36 HE21 GLN 36 13.861 14.052 5.510 277 HE22 GLN 36 HE22 GLN 36 14.018 15.733 5.687 278 H GLN 37 H GLN 37 7.936 14.423 6.429 279 HA GLN 37 HA GLN 37 6.334 13.714 8.794 280 HB2 GLN 37 HB2 GLN 37 6.381 16.457 7.520 281 HB3 GLN 37 HB3 GLN 37 5.178 15.921 8.694 282 HG2 GLN 37 HG2 GLN 37 6.970 15.481 10.333 283 HG3 GLN 37 HG3 GLN 37 8.171 16.030 9.166 284 HE21 GLN 37 HE21 GLN 37 8.863 17.976 10.160 285 HE22 GLN 37 HE22 GLN 37 7.821 19.266 10.520 286 H TRP 38 H TRP 38 4.025 13.613 8.402 287 HA TRP 38 HA TRP 38 3.380 12.510 5.815 288 HB2 TRP 38 HB2 TRP 38 1.695 13.117 8.256 289 HB3 TRP 38 HB3 TRP 38 1.052 12.379 6.791 290 HD1 TRP 38 HD1 TRP 38 2.628 11.534 9.995 291 HE1 TRP 38 HE1 TRP 38 3.343 9.062 10.039 292 HE3 TRP 38 HE3 TRP 38 2.197 10.411 5.034 293 HZ2 TRP 38 HZ2 TRP 38 3.704 6.892 8.202 294 HZ3 TRP 38 HZ3 TRP 38 2.737 8.136 4.207 295 HH2 TRP 38 HH2 TRP 38 3.488 6.377 5.780 296 H GLU 39 H GLU 39 2.372 13.478 4.127 297 HA GLU 39 HA GLU 39 1.016 16.048 4.503 298 HB2 GLU 39 HB2 GLU 39 3.302 15.713 2.545 299 HB3 GLU 39 HB3 GLU 39 2.256 17.124 2.667 300 HG2 GLU 39 HG2 GLU 39 4.049 16.084 4.893 301 HG3 GLU 39 HG3 GLU 39 4.402 17.469 3.868 302 H TRP 40 H TRP 40 -0.255 16.721 2.657 303 HA TRP 40 HA TRP 40 -1.255 14.427 1.113 304 HB2 TRP 40 HB2 TRP 40 -2.438 17.033 2.016 305 HB3 TRP 40 HB3 TRP 40 -2.978 16.429 0.462 306 HD1 TRP 40 HD1 TRP 40 -3.558 13.575 0.665 307 HE1 TRP 40 HE1 TRP 40 -5.146 12.510 2.394 308 HE3 TRP 40 HE3 TRP 40 -3.559 17.232 4.232 309 HZ2 TRP 40 HZ2 TRP 40 -6.268 13.121 4.938 310 HZ3 TRP 40 HZ3 TRP 40 -4.902 16.963 6.302 311 HH2 TRP 40 HH2 TRP 40 -6.256 14.914 6.660 312 H GLN 41 H GLN 41 -0.705 14.142 -0.909 313 HA GLN 41 HA GLN 41 0.437 16.395 -2.444 314 HB2 GLN 41 HB2 GLN 41 0.976 13.428 -2.504 315 HB3 GLN 41 HB3 GLN 41 1.402 14.468 -3.863 316 HG2 GLN 41 HG2 GLN 41 2.953 15.715 -2.589 317 HG3 GLN 41 HG3 GLN 41 2.248 15.226 -1.055 318 HE21 GLN 41 HE21 GLN 41 4.498 14.616 -0.443 319 HE22 GLN 41 HE22 GLN 41 5.109 13.119 -0.942 320 H GLN 42 H GLN 42 0.084 16.145 -4.915 321 HA GLN 42 HA GLN 42 -2.792 15.892 -5.193 322 HB2 GLN 42 HB2 GLN 42 -1.003 17.799 -6.056 323 HB3 GLN 42 HB3 GLN 42 -1.225 16.850 -7.524 324 HG2 GLN 42 HG2 GLN 42 -3.484 18.020 -5.861 325 HG3 GLN 42 HG3 GLN 42 -2.849 18.743 -7.337 326 HE21 GLN 42 HE21 GLN 42 -4.652 15.966 -6.063 327 HE22 GLN 42 HE22 GLN 42 -5.276 15.465 -7.554 328 H VAL 43 H VAL 43 -3.742 14.216 -6.056 329 HA VAL 43 HA VAL 43 -2.294 12.104 -7.378 330 HB VAL 43 HB VAL 43 -4.525 11.079 -7.659 331 HG11 VAL 43 HG11 VAL 43 -3.544 10.603 -5.590 332 HG12 VAL 43 HG12 VAL 43 -5.176 11.128 -5.177 333 HG13 VAL 43 HG13 VAL 43 -3.818 12.232 -4.975 334 HG21 VAL 43 HG21 VAL 43 -5.941 12.957 -8.148 335 HG22 VAL 43 HG22 VAL 43 -5.492 13.774 -6.655 336 HG23 VAL 43 HG23 VAL 43 -6.501 12.335 -6.596 337 H LEU 44 H LEU 44 -1.621 12.272 -9.393 338 HA LEU 44 HA LEU 44 -2.988 14.147 -11.198 339 HB2 LEU 44 HB2 LEU 44 -0.931 14.149 -12.515 340 HB3 LEU 44 HB3 LEU 44 -0.714 14.681 -10.853 341 HG LEU 44 HG LEU 44 -0.272 11.736 -11.311 342 HD11 LEU 44 HD11 LEU 44 1.875 11.929 -12.324 343 HD12 LEU 44 HD12 LEU 44 1.854 13.687 -12.200 344 HD13 LEU 44 HD13 LEU 44 0.773 12.872 -13.329 345 HD21 LEU 44 HD21 LEU 44 1.438 12.030 -9.658 346 HD22 LEU 44 HD22 LEU 44 0.106 13.059 -9.132 347 HD23 LEU 44 HD23 LEU 44 1.504 13.769 -9.932 348 H ARG 45 H ARG 45 -1.934 10.692 -11.263 349 HA ARG 45 HA ARG 45 -3.681 10.395 -13.632 350 HB2 ARG 45 HB2 ARG 45 -0.790 9.548 -13.512 351 HB3 ARG 45 HB3 ARG 45 -1.928 8.977 -14.733 352 HG2 ARG 45 HG2 ARG 45 -2.357 11.306 -15.427 353 HG3 ARG 45 HG3 ARG 45 -1.213 11.878 -14.210 354 HD2 ARG 45 HD2 ARG 45 0.591 10.597 -15.296 355 HD3 ARG 45 HD3 ARG 45 -0.544 10.020 -16.511 356 HE ARG 45 HE ARG 45 -0.609 12.848 -16.490 357 HH11 ARG 45 HH11 ARG 45 1.581 10.243 -17.373 358 HH12 ARG 45 HH12 ARG 45 2.400 11.176 -18.581 359 HH21 ARG 45 HH21 ARG 45 0.493 14.031 -18.079 360 HH22 ARG 45 HH22 ARG 45 1.786 13.306 -18.975 361 H TRP 46 H TRP 46 -4.995 8.725 -13.467 362 HA TRP 46 HA TRP 46 -4.332 6.560 -11.573 363 HB2 TRP 46 HB2 TRP 46 -6.470 7.726 -11.137 364 HB3 TRP 46 HB3 TRP 46 -7.009 7.361 -12.773 365 HD1 TRP 46 HD1 TRP 46 -5.970 5.515 -9.538 366 HE1 TRP 46 HE1 TRP 46 -7.283 3.301 -9.416 367 HE3 TRP 46 HE3 TRP 46 -8.414 5.686 -14.021 368 HZ2 TRP 46 HZ2 TRP 46 -9.127 1.809 -10.998 369 HZ3 TRP 46 HZ3 TRP 46 -9.953 3.854 -14.682 370 HH2 TRP 46 HH2 TRP 46 -10.311 1.914 -13.166 371 H LEU 47 H LEU 47 -3.404 4.870 -12.506 372 HA LEU 47 HA LEU 47 -3.980 4.233 -15.319 373 HB2 LEU 47 HB2 LEU 47 -1.693 3.322 -13.548 374 HB3 LEU 47 HB3 LEU 47 -1.874 2.963 -15.262 375 HG LEU 47 HG LEU 47 -1.648 5.774 -14.121 376 HD11 LEU 47 HD11 LEU 47 0.638 5.747 -15.023 377 HD12 LEU 47 HD12 LEU 47 0.420 4.079 -15.552 378 HD13 LEU 47 HD13 LEU 47 0.435 4.463 -13.831 379 HD21 LEU 47 HD21 LEU 47 -2.831 5.714 -16.249 380 HD22 LEU 47 HD22 LEU 47 -1.599 4.664 -16.947 381 HD23 LEU 47 HD23 LEU 47 -1.204 6.337 -16.536 382 H ASP 48 H ASP 48 -4.902 2.394 -15.943 383 HA ASP 48 HA ASP 48 -5.766 0.481 -13.897 384 HB2 ASP 48 HB2 ASP 48 -7.128 -0.486 -15.808 385 HB3 ASP 48 HB3 ASP 48 -7.568 1.147 -15.317 386 H GLN 49 H GLN 49 -4.018 -0.788 -13.446 387 HA GLN 49 HA GLN 49 -2.166 -1.751 -15.348 388 HB2 GLN 49 HB2 GLN 49 -2.882 -2.691 -12.586 389 HB3 GLN 49 HB3 GLN 49 -1.592 -3.443 -13.532 390 HG2 GLN 49 HG2 GLN 49 -0.398 -1.849 -12.332 391 HG3 GLN 49 HG3 GLN 49 -0.781 -0.908 -13.771 392 HE21 GLN 49 HE21 GLN 49 -1.322 1.177 -13.049 393 HE22 GLN 49 HE22 GLN 49 -2.368 1.493 -11.745 394 H GLY 50 H GLY 50 -5.183 -3.126 -14.096 395 HA2 GLY 50 HA2 GLY 50 -6.602 -4.623 -15.231 396 HA3 GLY 50 HA3 GLY 50 -5.311 -4.936 -16.387 397 H VAL 51 H VAL 51 -5.544 -7.185 -16.255 398 HA VAL 51 HA VAL 51 -5.548 -8.655 -13.824 399 HB VAL 51 HB VAL 51 -5.050 -10.626 -15.251 400 HG11 VAL 51 HG11 VAL 51 -7.120 -8.675 -16.278 401 HG12 VAL 51 HG12 VAL 51 -7.352 -9.945 -15.078 402 HG13 VAL 51 HG13 VAL 51 -7.049 -10.369 -16.762 403 HG21 VAL 51 HG21 VAL 51 -3.514 -9.762 -16.885 404 HG22 VAL 51 HG22 VAL 51 -4.632 -8.485 -17.364 405 HG23 VAL 51 HG23 VAL 51 -4.982 -10.162 -17.778 406 H ARG 52 H ARG 52 -3.944 -8.877 -12.396 407 HA ARG 52 HA ARG 52 -1.232 -9.405 -13.263 408 HB2 ARG 52 HB2 ARG 52 -1.732 -6.796 -13.122 409 HB3 ARG 52 HB3 ARG 52 -1.465 -7.063 -11.402 410 HG2 ARG 52 HG2 ARG 52 0.569 -8.225 -13.302 411 HG3 ARG 52 HG3 ARG 52 0.552 -6.478 -13.111 412 HD2 ARG 52 HD2 ARG 52 0.645 -6.854 -10.600 413 HD3 ARG 52 HD3 ARG 52 0.950 -8.553 -10.946 414 HE ARG 52 HE ARG 52 3.106 -7.987 -11.655 415 HH11 ARG 52 HH11 ARG 52 1.209 -5.055 -11.255 416 HH12 ARG 52 HH12 ARG 52 2.572 -4.003 -11.434 417 HH21 ARG 52 HH21 ARG 52 4.860 -6.573 -11.886 418 HH22 ARG 52 HH22 ARG 52 4.624 -4.860 -11.790 419 H GLU 53 H GLU 53 -0.009 -10.424 -11.739 420 HA GLU 53 HA GLU 53 -1.317 -11.760 -9.598 421 HB2 GLU 53 HB2 GLU 53 0.587 -12.715 -10.887 422 HB3 GLU 53 HB3 GLU 53 1.656 -11.526 -10.145 423 HG2 GLU 53 HG2 GLU 53 1.181 -12.431 -7.918 424 HG3 GLU 53 HG3 GLU 53 0.015 -13.558 -8.594 425 H THR 54 H THR 54 -1.230 -11.444 -7.334 426 HA THR 54 HA THR 54 0.366 -9.134 -6.396 427 HB THR 54 HB THR 54 -1.862 -8.223 -6.959 428 HG1 THR 54 HG1 THR 54 -1.352 -8.348 -4.176 429 HG21 THR 54 HG21 THR 54 -2.779 -10.507 -5.276 430 HG22 THR 54 HG22 THR 54 -3.603 -9.661 -6.587 431 HG23 THR 54 HG23 THR 54 -3.567 -8.961 -4.970 432 H TRP 55 H TRP 55 0.899 -9.030 -4.261 433 HA TRP 55 HA TRP 55 0.479 -11.482 -2.678 434 HB2 TRP 55 HB2 TRP 55 2.785 -9.542 -2.811 435 HB3 TRP 55 HB3 TRP 55 2.570 -10.626 -1.439 436 HD1 TRP 55 HD1 TRP 55 3.391 -13.012 -1.718 437 HE1 TRP 55 HE1 TRP 55 4.325 -14.392 -3.652 438 HE3 TRP 55 HE3 TRP 55 2.540 -9.800 -5.585 439 HZ2 TRP 55 HZ2 TRP 55 4.668 -14.203 -6.470 440 HZ3 TRP 55 HZ3 TRP 55 3.182 -10.429 -7.898 441 HH2 TRP 55 HH2 TRP 55 4.246 -12.626 -8.346 442 H LYS 56 H LYS 56 -0.566 -11.356 -0.787 443 HA LYS 56 HA LYS 56 -1.592 -8.760 0.042 444 HB2 LYS 56 HB2 LYS 56 -3.189 -10.609 -0.188 445 HB3 LYS 56 HB3 LYS 56 -2.302 -11.547 1.008 446 HG2 LYS 56 HG2 LYS 56 -2.818 -9.835 2.739 447 HG3 LYS 56 HG3 LYS 56 -3.695 -8.882 1.559 448 HD2 LYS 56 HD2 LYS 56 -5.264 -10.751 1.202 449 HD3 LYS 56 HD3 LYS 56 -4.386 -11.710 2.393 450 HE2 LYS 56 HE2 LYS 56 -4.878 -10.021 4.121 451 HE3 LYS 56 HE3 LYS 56 -5.758 -9.062 2.933 452 HZ1 LYS 56 HZ1 LYS 56 -7.111 -10.602 4.397 453 HZ2 LYS 56 HZ2 LYS 56 -6.454 -11.881 3.492 454 HZ3 LYS 56 HZ3 LYS 56 -7.400 -10.692 2.729 455 H ILE 57 H ILE 57 0.031 -7.752 1.032 456 HA ILE 57 HA ILE 57 1.554 -8.845 3.231 457 HB ILE 57 HB ILE 57 1.133 -5.903 2.634 458 HG12 ILE 57 HG12 ILE 57 3.636 -6.497 1.535 459 HG13 ILE 57 HG13 ILE 57 2.743 -7.950 1.122 460 HG21 ILE 57 HG21 ILE 57 3.119 -7.494 4.249 461 HG22 ILE 57 HG22 ILE 57 2.163 -6.095 4.728 462 HG23 ILE 57 HG23 ILE 57 3.534 -5.891 3.640 463 HD11 ILE 57 HD11 ILE 57 2.264 -6.630 -0.711 464 HD12 ILE 57 HD12 ILE 57 2.323 -5.133 0.213 465 HD13 ILE 57 HD13 ILE 57 0.908 -6.178 0.324 466 H LYS 58 H LYS 58 0.451 -9.556 4.857 467 HA LYS 58 HA LYS 58 -1.857 -8.107 5.905 468 HB2 LYS 58 HB2 LYS 58 -1.982 -10.562 5.596 469 HB3 LYS 58 HB3 LYS 58 -0.609 -10.765 6.672 470 HG2 LYS 58 HG2 LYS 58 -2.631 -11.211 7.952 471 HG3 LYS 58 HG3 LYS 58 -1.945 -9.692 8.520 472 HD2 LYS 58 HD2 LYS 58 -3.558 -8.410 7.330 473 HD3 LYS 58 HD3 LYS 58 -4.121 -9.814 6.417 474 HE2 LYS 58 HE2 LYS 58 -5.718 -9.337 8.196 475 HE3 LYS 58 HE3 LYS 58 -4.876 -10.838 8.577 476 HZ1 LYS 58 HZ1 LYS 58 -3.398 -9.615 10.032 477 HZ2 LYS 58 HZ2 LYS 58 -5.016 -9.362 10.492 478 HZ3 LYS 58 HZ3 LYS 58 -4.170 -8.156 9.644 479 H THR 59 H THR 59 -1.742 -6.784 7.646 480 HA THR 59 HA THR 59 0.512 -7.123 9.523 481 HB THR 59 HB THR 59 0.959 -4.765 9.697 482 HG1 THR 59 HG1 THR 59 -0.625 -3.473 9.314 483 HG21 THR 59 HG21 THR 59 0.639 -5.086 6.725 484 HG22 THR 59 HG22 THR 59 1.799 -6.084 7.608 485 HG23 THR 59 HG23 THR 59 1.952 -4.328 7.628 486 H PHE 60 H PHE 60 0.143 -6.076 11.612 487 HA PHE 60 HA PHE 60 -2.243 -6.979 12.743 488 HB2 PHE 60 HB2 PHE 60 -0.070 -6.675 13.953 489 HB3 PHE 60 HB3 PHE 60 -0.349 -4.937 13.930 490 HD1 PHE 60 HD1 PHE 60 -1.641 -8.183 15.188 491 HD2 PHE 60 HD2 PHE 60 -1.927 -3.904 15.427 492 HE1 PHE 60 HE1 PHE 60 -3.056 -8.392 17.213 493 HE2 PHE 60 HE2 PHE 60 -3.342 -4.113 17.454 494 HZ PHE 60 HZ PHE 60 -3.906 -6.356 18.346 495 H GLN 61 H GLN 61 -1.285 -3.716 11.741 496 HA GLN 61 HA GLN 61 -3.776 -2.578 12.740 497 HB2 GLN 61 HB2 GLN 61 -1.478 -1.298 11.242 498 HB3 GLN 61 HB3 GLN 61 -2.857 -0.434 11.918 499 HG2 GLN 61 HG2 GLN 61 -2.249 -1.359 14.178 500 HG3 GLN 61 HG3 GLN 61 -0.796 -2.041 13.442 501 HE21 GLN 61 HE21 GLN 61 0.929 -0.751 14.050 502 HE22 GLN 61 HE22 GLN 61 0.932 0.952 14.008 503 H THR 62 H THR 62 -2.371 -3.519 9.646 504 HA THR 62 HA THR 62 -4.962 -3.101 8.352 505 HB THR 62 HB THR 62 -4.014 -1.767 6.513 506 HG1 THR 62 HG1 THR 62 -1.952 -1.457 6.381 507 HG21 THR 62 HG21 THR 62 -5.043 -0.695 8.555 508 HG22 THR 62 HG22 THR 62 -3.902 0.334 7.687 509 HG23 THR 62 HG23 THR 62 -3.410 -0.467 9.180 510 H GLU 63 H GLU 63 -4.554 -3.541 5.826 511 HA GLU 63 HA GLU 63 -2.661 -5.620 5.240 512 HB2 GLU 63 HB2 GLU 63 -4.278 -7.354 4.655 513 HB3 GLU 63 HB3 GLU 63 -4.508 -6.889 6.341 514 HG2 GLU 63 HG2 GLU 63 -6.340 -5.313 5.548 515 HG3 GLU 63 HG3 GLU 63 -6.189 -6.078 3.963 516 H ILE 64 H ILE 64 -2.428 -5.924 2.945 517 HA ILE 64 HA ILE 64 -4.162 -4.558 1.088 518 HB ILE 64 HB ILE 64 -3.026 -2.674 2.128 519 HG12 ILE 64 HG12 ILE 64 -3.625 -2.677 -0.380 520 HG13 ILE 64 HG13 ILE 64 -2.449 -1.486 0.134 521 HG21 ILE 64 HG21 ILE 64 -0.436 -3.923 1.177 522 HG22 ILE 64 HG22 ILE 64 -0.970 -3.767 2.849 523 HG23 ILE 64 HG23 ILE 64 -0.596 -2.325 1.907 524 HD11 ILE 64 HD11 ILE 64 -1.008 -2.251 -1.424 525 HD12 ILE 64 HD12 ILE 64 -2.175 -3.469 -1.918 526 HD13 ILE 64 HD13 ILE 64 -0.987 -3.844 -0.675 527 H LYS 65 H LYS 65 -3.863 -5.250 -1.007 528 HA LYS 65 HA LYS 65 -1.595 -7.089 -1.427 529 HB2 LYS 65 HB2 LYS 65 -4.109 -7.194 -3.102 530 HB3 LYS 65 HB3 LYS 65 -2.832 -8.387 -2.884 531 HG2 LYS 65 HG2 LYS 65 -4.422 -9.345 -1.515 532 HG3 LYS 65 HG3 LYS 65 -3.606 -8.315 -0.350 533 HD2 LYS 65 HD2 LYS 65 -5.915 -7.866 -0.006 534 HD3 LYS 65 HD3 LYS 65 -5.345 -6.511 -0.978 535 HE2 LYS 65 HE2 LYS 65 -6.172 -7.599 -3.020 536 HE3 LYS 65 HE3 LYS 65 -6.707 -8.989 -2.077 537 HZ1 LYS 65 HZ1 LYS 65 -8.612 -7.722 -2.259 538 HZ2 LYS 65 HZ2 LYS 65 -7.783 -6.245 -2.106 539 HZ3 LYS 65 HZ3 LYS 65 -8.015 -7.240 -0.747 540 H CYS 66 H CYS 66 -0.105 -6.536 -2.798 541 HA CYS 66 HA CYS 66 -0.699 -4.890 -5.132 542 HB2 CYS 66 HB2 CYS 66 1.008 -3.231 -4.606 543 HB3 CYS 66 HB3 CYS 66 -0.181 -3.290 -3.307 544 HG CYS 66 HG CYS 66 1.982 -3.473 -1.995 545 H THR 67 H THR 67 1.466 -4.544 -6.402 546 HA THR 67 HA THR 67 2.375 -7.018 -7.256 547 HB THR 67 HB THR 67 3.880 -4.388 -7.462 548 HG1 THR 67 HG1 THR 67 1.955 -5.573 -9.176 549 HG21 THR 67 HG21 THR 67 4.890 -5.359 -9.447 550 HG22 THR 67 HG22 THR 67 3.916 -6.820 -9.273 551 HG23 THR 67 HG23 THR 67 5.164 -6.447 -8.086 552 H GLY 68 H GLY 68 3.682 -8.471 -6.403 553 HA2 GLY 68 HA2 GLY 68 4.932 -8.225 -3.898 554 HA3 GLY 68 HA3 GLY 68 5.189 -9.531 -5.040 555 H ASN 69 H ASN 69 6.252 -8.033 -7.190 556 HA ASN 69 HA ASN 69 8.978 -8.011 -6.409 557 HB2 ASN 69 HB2 ASN 69 7.659 -7.133 -8.975 558 HB3 ASN 69 HB3 ASN 69 9.405 -7.264 -8.743 559 HD21 ASN 69 HD21 ASN 69 9.836 -9.598 -7.458 560 HD22 ASN 69 HD22 ASN 69 9.144 -10.916 -8.273 561 H HIS 70 H HIS 70 6.622 -5.466 -6.420 562 HA HIS 70 HA HIS 70 8.601 -3.363 -6.635 563 HB2 HIS 70 HB2 HIS 70 6.150 -3.189 -7.421 564 HB3 HIS 70 HB3 HIS 70 5.756 -2.936 -5.718 565 HD2 HIS 70 HD2 HIS 70 6.583 -0.426 -4.669 566 HE1 HIS 70 HE1 HIS 70 8.238 1.059 -8.257 567 HE2 HIS 70 HE2 HIS 70 7.614 1.649 -5.877 568 H LEU 71 H LEU 71 9.298 -1.981 -5.036 569 HA LEU 71 HA LEU 71 9.425 -3.125 -2.376 570 HB2 LEU 71 HB2 LEU 71 10.663 -0.610 -3.508 571 HB3 LEU 71 HB3 LEU 71 10.976 -1.277 -1.904 572 HG LEU 71 HG LEU 71 11.589 -3.483 -3.224 573 HD11 LEU 71 HD11 LEU 71 12.716 -2.732 -5.468 574 HD12 LEU 71 HD12 LEU 71 11.608 -1.367 -5.381 575 HD13 LEU 71 HD13 LEU 71 10.980 -3.010 -5.452 576 HD21 LEU 71 HD21 LEU 71 13.180 -2.044 -1.933 577 HD22 LEU 71 HD22 LEU 71 13.414 -1.055 -3.373 578 HD23 LEU 71 HD23 LEU 71 13.924 -2.743 -3.372 579 H ILE 72 H ILE 72 8.692 -2.314 -0.506 580 HA ILE 72 HA ILE 72 6.975 0.082 -0.573 581 HB ILE 72 HB ILE 72 5.425 -1.009 1.027 582 HG12 ILE 72 HG12 ILE 72 6.912 -3.599 0.416 583 HG13 ILE 72 HG13 ILE 72 7.205 -2.661 1.878 584 HG21 ILE 72 HG21 ILE 72 4.394 -2.589 -0.602 585 HG22 ILE 72 HG22 ILE 72 5.872 -2.534 -1.562 586 HG23 ILE 72 HG23 ILE 72 4.896 -1.078 -1.360 587 HD11 ILE 72 HD11 ILE 72 4.416 -3.545 1.111 588 HD12 ILE 72 HD12 ILE 72 5.001 -3.024 2.691 589 HD13 ILE 72 HD13 ILE 72 5.487 -4.590 2.043 590 H ARG 73 H ARG 73 6.866 1.226 1.498 591 HA ARG 73 HA ARG 73 9.429 1.387 2.666 592 HB2 ARG 73 HB2 ARG 73 7.728 3.308 2.579 593 HB3 ARG 73 HB3 ARG 73 6.970 2.545 3.978 594 HG2 ARG 73 HG2 ARG 73 8.492 4.093 4.944 595 HG3 ARG 73 HG3 ARG 73 9.341 2.555 5.049 596 HD2 ARG 73 HD2 ARG 73 11.019 3.837 4.138 597 HD3 ARG 73 HD3 ARG 73 10.264 3.310 2.649 598 HE ARG 73 HE ARG 73 9.329 5.476 2.384 599 HH11 ARG 73 HH11 ARG 73 11.123 5.254 5.411 600 HH12 ARG 73 HH12 ARG 73 11.205 6.969 5.614 601 HH21 ARG 73 HH21 ARG 73 9.508 7.701 2.683 602 HH22 ARG 73 HH22 ARG 73 10.309 8.339 4.081 603 H THR 74 H THR 74 10.351 0.612 4.389 604 HA THR 74 HA THR 74 8.820 -0.908 6.394 605 HB THR 74 HB THR 74 11.522 -1.768 5.316 606 HG1 THR 74 HG1 THR 74 10.117 -2.123 3.676 607 HG21 THR 74 HG21 THR 74 10.735 -3.936 6.413 608 HG22 THR 74 HG22 THR 74 9.500 -2.962 7.209 609 HG23 THR 74 HG23 THR 74 11.211 -2.633 7.495 610 H ASP 75 H ASP 75 10.258 -1.184 8.458 611 HA ASP 75 HA ASP 75 11.005 1.334 9.374 612 HB2 ASP 75 HB2 ASP 75 11.799 -1.418 10.341 613 HB3 ASP 75 HB3 ASP 75 12.188 0.062 11.211 614 H LYS 76 H LYS 76 12.995 -1.235 7.941 615 HA LYS 76 HA LYS 76 15.477 0.222 8.228 616 HB2 LYS 76 HB2 LYS 76 14.682 -2.330 6.832 617 HB3 LYS 76 HB3 LYS 76 16.246 -1.589 6.514 618 HG2 LYS 76 HG2 LYS 76 16.791 -3.013 8.286 619 HG3 LYS 76 HG3 LYS 76 16.453 -1.521 9.152 620 HD2 LYS 76 HD2 LYS 76 15.246 -3.182 10.346 621 HD3 LYS 76 HD3 LYS 76 14.022 -2.398 9.353 622 HE2 LYS 76 HE2 LYS 76 14.173 -4.185 7.689 623 HE3 LYS 76 HE3 LYS 76 15.478 -4.950 8.598 624 HZ1 LYS 76 HZ1 LYS 76 13.713 -4.837 10.504 625 HZ2 LYS 76 HZ2 LYS 76 13.699 -6.106 9.375 626 HZ3 LYS 76 HZ3 LYS 76 12.617 -4.805 9.211 627 H GLY 77 H GLY 77 12.845 0.339 6.013 628 HA2 GLY 77 HA2 GLY 77 12.993 2.415 4.556 629 HA3 GLY 77 HA3 GLY 77 14.493 1.706 3.963 630 H TRP 78 H TRP 78 13.244 1.977 1.859 631 HA TRP 78 HA TRP 78 10.978 0.416 1.189 632 HB2 TRP 78 HB2 TRP 78 13.264 1.274 -0.615 633 HB3 TRP 78 HB3 TRP 78 11.692 0.698 -1.154 634 HD1 TRP 78 HD1 TRP 78 13.501 3.778 -0.254 635 HE1 TRP 78 HE1 TRP 78 11.883 5.778 -0.085 636 HE3 TRP 78 HE3 TRP 78 9.029 1.305 -0.248 637 HZ2 TRP 78 HZ2 TRP 78 9.070 6.265 0.038 638 HZ3 TRP 78 HZ3 TRP 78 6.897 2.567 -0.099 639 HH2 TRP 78 HH2 TRP 78 6.915 5.041 0.044 640 H ILE 79 H ILE 79 10.717 -1.695 0.918 641 HA ILE 79 HA ILE 79 12.999 -3.406 0.195 642 HB ILE 79 HB ILE 79 11.095 -3.999 2.500 643 HG12 ILE 79 HG12 ILE 79 14.112 -3.615 2.568 644 HG13 ILE 79 HG13 ILE 79 12.988 -2.295 2.879 645 HG21 ILE 79 HG21 ILE 79 13.261 -5.623 1.137 646 HG22 ILE 79 HG22 ILE 79 11.604 -6.100 1.495 647 HG23 ILE 79 HG23 ILE 79 12.779 -5.958 2.801 648 HD11 ILE 79 HD11 ILE 79 13.415 -3.081 5.043 649 HD12 ILE 79 HD12 ILE 79 13.508 -4.761 4.524 650 HD13 ILE 79 HD13 ILE 79 11.941 -3.961 4.638 651 H LYS 80 H LYS 80 12.492 -5.094 -1.166 652 HA LYS 80 HA LYS 80 10.198 -5.007 -2.779 653 HB2 LYS 80 HB2 LYS 80 12.146 -7.238 -2.182 654 HB3 LYS 80 HB3 LYS 80 10.866 -7.391 -3.382 655 HG2 LYS 80 HG2 LYS 80 11.747 -5.527 -4.657 656 HG3 LYS 80 HG3 LYS 80 12.927 -5.165 -3.398 657 HD2 LYS 80 HD2 LYS 80 14.117 -6.365 -5.108 658 HD3 LYS 80 HD3 LYS 80 13.882 -7.498 -3.780 659 HE2 LYS 80 HE2 LYS 80 13.345 -8.632 -5.867 660 HE3 LYS 80 HE3 LYS 80 11.851 -8.382 -4.965 661 HZ1 LYS 80 HZ1 LYS 80 12.062 -7.732 -7.489 662 HZ2 LYS 80 HZ2 LYS 80 12.681 -6.292 -6.832 663 HZ3 LYS 80 HZ3 LYS 80 11.120 -6.822 -6.415 664 H ALA 81 H ALA 81 8.172 -5.865 -2.630 665 HA ALA 81 HA ALA 81 7.090 -6.552 -0.138 666 HB1 ALA 81 HB1 ALA 81 6.128 -6.429 -2.903 667 HB2 ALA 81 HB2 ALA 81 5.335 -5.945 -1.410 668 HB3 ALA 81 HB3 ALA 81 5.282 -7.628 -1.923 669 H ALA 82 H ALA 82 8.201 -8.597 -2.783 670 HA ALA 82 HA ALA 82 7.422 -11.108 -1.752 671 HB1 ALA 82 HB1 ALA 82 9.967 -10.746 -3.303 672 HB2 ALA 82 HB2 ALA 82 8.414 -10.450 -4.087 673 HB3 ALA 82 HB3 ALA 82 8.772 -12.039 -3.409 674 H ASN 83 H ASN 83 10.208 -9.035 -1.217 675 HA ASN 83 HA ASN 83 11.749 -10.874 0.327 676 HB2 ASN 83 HB2 ASN 83 12.611 -8.867 -0.942 677 HB3 ASN 83 HB3 ASN 83 11.926 -7.858 0.332 678 HD21 ASN 83 HD21 ASN 83 14.813 -8.368 -0.448 679 HD22 ASN 83 HD22 ASN 83 15.565 -8.885 0.986 680 H ILE 84 H ILE 84 9.226 -8.505 1.096 681 HA ILE 84 HA ILE 84 9.680 -8.172 3.840 682 HB ILE 84 HB ILE 84 6.993 -8.265 2.422 683 HG12 ILE 84 HG12 ILE 84 8.474 -6.548 1.425 684 HG13 ILE 84 HG13 ILE 84 7.182 -5.780 2.320 685 HG21 ILE 84 HG21 ILE 84 7.721 -7.024 5.099 686 HG22 ILE 84 HG22 ILE 84 6.736 -8.465 4.861 687 HG23 ILE 84 HG23 ILE 84 6.149 -6.898 4.307 688 HD11 ILE 84 HD11 ILE 84 10.109 -5.998 3.062 689 HD12 ILE 84 HD12 ILE 84 8.888 -5.684 4.295 690 HD13 ILE 84 HD13 ILE 84 9.103 -4.551 2.965 691 H THR 85 H THR 85 9.258 -9.305 5.605 692 HA THR 85 HA THR 85 7.923 -11.928 5.369 693 HB THR 85 HB THR 85 9.540 -12.826 7.014 694 HG1 THR 85 HG1 THR 85 10.749 -11.492 8.052 695 HG21 THR 85 HG21 THR 85 9.952 -12.926 4.505 696 HG22 THR 85 HG22 THR 85 11.385 -13.101 5.517 697 HG23 THR 85 HG23 THR 85 11.050 -11.563 4.719 698 HA PRO 86 HA PRO 86 5.239 -10.883 8.721 699 HB2 PRO 86 HB2 PRO 86 6.555 -12.973 10.424 700 HB3 PRO 86 HB3 PRO 86 4.825 -12.666 10.154 701 HG2 PRO 86 HG2 PRO 86 5.983 -14.660 8.918 702 HG3 PRO 86 HG3 PRO 86 4.852 -13.616 8.037 703 HD2 PRO 86 HD2 PRO 86 7.841 -13.698 7.874 704 HD3 PRO 86 HD3 PRO 86 6.636 -13.380 6.596 705 H LYS 87 H LYS 87 8.606 -11.391 9.604 706 HA LYS 87 HA LYS 87 8.691 -10.055 12.082 707 HB2 LYS 87 HB2 LYS 87 10.500 -11.540 11.210 708 HB3 LYS 87 HB3 LYS 87 10.930 -10.287 10.048 709 HG2 LYS 87 HG2 LYS 87 11.410 -8.718 11.895 710 HG3 LYS 87 HG3 LYS 87 10.953 -9.950 13.069 711 HD2 LYS 87 HD2 LYS 87 13.337 -10.035 12.957 712 HD3 LYS 87 HD3 LYS 87 12.771 -11.422 12.027 713 HE2 LYS 87 HE2 LYS 87 13.072 -10.185 9.932 714 HE3 LYS 87 HE3 LYS 87 13.552 -8.742 10.825 715 HZ1 LYS 87 HZ1 LYS 87 15.387 -10.217 9.908 716 HZ2 LYS 87 HZ2 LYS 87 14.981 -11.310 11.143 717 HZ3 LYS 87 HZ3 LYS 87 15.519 -9.746 11.531 718 H MET 88 H MET 88 9.066 -8.849 8.771 719 HA MET 88 HA MET 88 10.088 -6.334 9.270 720 HB2 MET 88 HB2 MET 88 8.560 -7.566 7.053 721 HB3 MET 88 HB3 MET 88 8.395 -5.819 7.139 722 HG2 MET 88 HG2 MET 88 10.295 -6.072 5.783 723 HG3 MET 88 HG3 MET 88 11.005 -5.830 7.373 724 HE1 MET 88 HE1 MET 88 12.954 -6.581 6.034 725 HE2 MET 88 HE2 MET 88 12.414 -7.539 4.658 726 HE3 MET 88 HE3 MET 88 13.470 -8.267 5.864 727 H LYS 89 H LYS 89 9.357 -4.352 9.685 728 HA LYS 89 HA LYS 89 6.558 -4.036 10.563 729 HB2 LYS 89 HB2 LYS 89 9.108 -3.160 11.894 730 HB3 LYS 89 HB3 LYS 89 7.572 -2.356 12.235 731 HG2 LYS 89 HG2 LYS 89 6.611 -4.402 13.063 732 HG3 LYS 89 HG3 LYS 89 7.977 -5.350 12.480 733 HD2 LYS 89 HD2 LYS 89 8.266 -5.053 14.872 734 HD3 LYS 89 HD3 LYS 89 9.467 -4.053 14.058 735 HE2 LYS 89 HE2 LYS 89 8.480 -2.733 15.842 736 HE3 LYS 89 HE3 LYS 89 7.898 -2.089 14.308 737 HZ1 LYS 89 HZ1 LYS 89 5.812 -2.937 14.638 738 HZ2 LYS 89 HZ2 LYS 89 6.253 -2.581 16.239 739 HZ3 LYS 89 HZ3 LYS 89 6.342 -4.177 15.665 740 H ILE 90 H ILE 90 5.530 -2.240 9.869 741 HA ILE 90 HA ILE 90 7.109 -0.248 8.340 742 HB ILE 90 HB ILE 90 4.327 -1.233 7.611 743 HG12 ILE 90 HG12 ILE 90 5.776 -2.063 5.509 744 HG13 ILE 90 HG13 ILE 90 7.096 -2.047 6.673 745 HG21 ILE 90 HG21 ILE 90 5.040 0.010 5.412 746 HG22 ILE 90 HG22 ILE 90 6.211 0.820 6.446 747 HG23 ILE 90 HG23 ILE 90 4.488 0.962 6.788 748 HD11 ILE 90 HD11 ILE 90 5.680 -4.229 6.345 749 HD12 ILE 90 HD12 ILE 90 4.509 -3.420 7.381 750 HD13 ILE 90 HD13 ILE 90 6.139 -3.740 7.973 751 H LEU 91 H LEU 91 6.822 1.829 8.873 752 HA LEU 91 HA LEU 91 5.096 2.538 11.060 753 HB2 LEU 91 HB2 LEU 91 5.957 4.823 10.733 754 HB3 LEU 91 HB3 LEU 91 7.247 3.635 10.831 755 HG LEU 91 HG LEU 91 6.863 3.633 8.107 756 HD11 LEU 91 HD11 LEU 91 6.236 5.697 7.219 757 HD12 LEU 91 HD12 LEU 91 6.526 6.568 8.726 758 HD13 LEU 91 HD13 LEU 91 5.113 5.535 8.564 759 HD21 LEU 91 HD21 LEU 91 8.850 5.014 7.934 760 HD22 LEU 91 HD22 LEU 91 9.005 4.052 9.404 761 HD23 LEU 91 HD23 LEU 91 8.537 5.749 9.507 762 H SER 92 H SER 92 3.144 3.433 11.035 763 HA SER 92 HA SER 92 1.977 4.270 8.459 764 HB2 SER 92 HB2 SER 92 0.690 2.537 10.585 765 HB3 SER 92 HB3 SER 92 -0.166 3.237 9.217 766 HG SER 92 HG SER 92 1.324 2.108 7.864 767 HA PRO 93 HA PRO 93 0.645 7.922 10.699 768 HB2 PRO 93 HB2 PRO 93 -1.582 8.657 9.349 769 HB3 PRO 93 HB3 PRO 93 0.042 8.803 8.645 770 HG2 PRO 93 HG2 PRO 93 -2.004 6.671 8.225 771 HG3 PRO 93 HG3 PRO 93 -1.004 7.518 7.028 772 HD2 PRO 93 HD2 PRO 93 -0.361 5.045 7.914 773 HD3 PRO 93 HD3 PRO 93 0.887 6.245 7.492 774 H GLU 94 H GLU 94 -0.816 8.610 12.282 775 HA GLU 94 HA GLU 94 -3.004 6.751 12.997 776 HB2 GLU 94 HB2 GLU 94 -1.172 8.262 14.889 777 HB3 GLU 94 HB3 GLU 94 -2.557 7.284 15.371 778 HG2 GLU 94 HG2 GLU 94 -0.143 6.239 13.853 779 HG3 GLU 94 HG3 GLU 94 -0.411 6.031 15.579 780 H ILE 95 H ILE 95 -4.937 7.647 13.369 781 HA ILE 95 HA ILE 95 -5.218 10.489 12.805 782 HB ILE 95 HB ILE 95 -7.375 8.385 13.186 783 HG12 ILE 95 HG12 ILE 95 -5.938 7.784 11.250 784 HG13 ILE 95 HG13 ILE 95 -7.512 8.324 10.687 785 HG21 ILE 95 HG21 ILE 95 -7.494 11.177 12.007 786 HG22 ILE 95 HG22 ILE 95 -8.258 10.628 13.499 787 HG23 ILE 95 HG23 ILE 95 -8.812 10.004 11.945 788 HD11 ILE 95 HD11 ILE 95 -6.541 10.583 10.209 789 HD12 ILE 95 HD12 ILE 95 -5.734 9.311 9.291 790 HD13 ILE 95 HD13 ILE 95 -4.959 9.989 10.722 791 H ASP 96 H ASP 96 -5.510 11.978 14.261 792 HA ASP 96 HA ASP 96 -7.073 11.717 16.620 793 HB2 ASP 96 HB2 ASP 96 -4.721 10.539 17.074 794 HB3 ASP 96 HB3 ASP 96 -4.183 12.201 17.287 795 H ALA 97 H ALA 97 -5.801 13.852 18.109 796 HA ALA 97 HA ALA 97 -6.716 16.147 16.732 797 HB1 ALA 97 HB1 ALA 97 -4.970 15.701 19.139 798 HB2 ALA 97 HB2 ALA 97 -6.551 16.476 19.039 799 HB3 ALA 97 HB3 ALA 97 -5.118 17.323 18.459 800 H ALA 98 H ALA 98 -3.552 14.621 17.013 801 HA ALA 98 HA ALA 98 -2.625 16.148 14.681 802 HB1 ALA 98 HB1 ALA 98 -1.237 15.800 17.320 803 HB2 ALA 98 HB2 ALA 98 -1.352 17.238 16.304 804 HB3 ALA 98 HB3 ALA 98 -0.284 15.913 15.840 805 H VAL 99 H VAL 99 -1.665 14.873 13.155 806 HA VAL 99 HA VAL 99 -1.979 12.074 13.267 807 HB VAL 99 HB VAL 99 -0.253 13.725 11.381 808 HG11 VAL 99 HG11 VAL 99 -1.239 10.862 11.246 809 HG12 VAL 99 HG12 VAL 99 0.429 11.430 11.171 810 HG13 VAL 99 HG13 VAL 99 -0.672 11.744 9.829 811 HG21 VAL 99 HG21 VAL 99 -2.702 14.318 11.459 812 HG22 VAL 99 HG22 VAL 99 -3.068 12.656 10.997 813 HG23 VAL 99 HG23 VAL 99 -2.174 13.702 9.893 814 H LYS 100 H LYS 100 -0.707 10.479 13.993 815 HA LYS 100 HA LYS 100 2.111 11.106 14.682 816 HB2 LYS 100 HB2 LYS 100 0.129 9.607 16.408 817 HB3 LYS 100 HB3 LYS 100 1.860 9.720 16.734 818 HG2 LYS 100 HG2 LYS 100 1.638 12.224 16.738 819 HG3 LYS 100 HG3 LYS 100 -0.105 12.027 16.590 820 HD2 LYS 100 HD2 LYS 100 1.509 10.796 18.844 821 HD3 LYS 100 HD3 LYS 100 0.738 12.376 18.963 822 HE2 LYS 100 HE2 LYS 100 -1.461 11.317 18.463 823 HE3 LYS 100 HE3 LYS 100 -0.672 9.740 18.434 824 HZ1 LYS 100 HZ1 LYS 100 -1.762 10.525 20.601 825 HZ2 LYS 100 HZ2 LYS 100 -0.395 11.521 20.768 826 HZ3 LYS 100 HZ3 LYS 100 -0.218 9.833 20.686 827 H THR 101 H THR 101 3.600 9.451 14.482 828 HA THR 101 HA THR 101 2.890 7.376 12.594 829 HB THR 101 HB THR 101 5.289 6.812 12.661 830 HG1 THR 101 HG1 THR 101 5.315 8.789 14.690 831 HG21 THR 101 HG21 THR 101 6.129 9.206 12.085 832 HG22 THR 101 HG22 THR 101 4.451 9.688 12.322 833 HG23 THR 101 HG23 THR 101 4.864 8.493 11.091 834 H ALA 102 H ALA 102 3.154 5.155 12.882 835 HA ALA 102 HA ALA 102 3.744 4.012 15.457 836 HB1 ALA 102 HB1 ALA 102 0.921 4.107 14.428 837 HB2 ALA 102 HB2 ALA 102 1.519 4.433 16.056 838 HB3 ALA 102 HB3 ALA 102 1.468 2.777 15.450 839 H LEU 103 H LEU 103 4.657 2.091 15.148 840 HA LEU 103 HA LEU 103 4.880 1.037 12.473 841 HB2 LEU 103 HB2 LEU 103 5.975 -0.205 15.011 842 HB3 LEU 103 HB3 LEU 103 6.495 -0.506 13.361 843 HG LEU 103 HG LEU 103 6.836 2.263 13.513 844 HD11 LEU 103 HD11 LEU 103 8.110 2.613 15.654 845 HD12 LEU 103 HD12 LEU 103 7.426 1.097 16.236 846 HD13 LEU 103 HD13 LEU 103 6.367 2.458 15.860 847 HD21 LEU 103 HD21 LEU 103 9.348 1.532 14.161 848 HD22 LEU 103 HD22 LEU 103 8.642 1.161 12.607 849 HD23 LEU 103 HD23 LEU 103 8.695 -0.081 13.854 850 H GLN 104 H GLN 104 4.188 -0.924 11.673 851 HA GLN 104 HA GLN 104 2.171 -2.344 13.296 852 HB2 GLN 104 HB2 GLN 104 0.864 -2.742 11.296 853 HB3 GLN 104 HB3 GLN 104 1.210 -1.019 11.361 854 HG2 GLN 104 HG2 GLN 104 3.332 -1.798 9.872 855 HG3 GLN 104 HG3 GLN 104 2.217 -3.095 9.455 856 HE21 GLN 104 HE21 GLN 104 -0.261 -1.731 9.335 857 HE22 GLN 104 HE22 GLN 104 -0.194 -0.543 8.121 858 H ASP 105 H ASP 105 2.134 -4.594 13.179 859 HA ASP 105 HA ASP 105 4.670 -5.813 12.336 860 HB2 ASP 105 HB2 ASP 105 2.471 -6.749 14.187 861 HB3 ASP 105 HB3 ASP 105 3.814 -7.772 13.698 862 H VAL 106 H VAL 106 4.811 -7.056 10.586 863 HA VAL 106 HA VAL 106 2.473 -7.624 8.997 864 HB VAL 106 HB VAL 106 5.353 -8.572 8.666 865 HG11 VAL 106 HG11 VAL 106 3.167 -8.420 6.564 866 HG12 VAL 106 HG12 VAL 106 3.569 -9.899 7.437 867 HG13 VAL 106 HG13 VAL 106 4.772 -9.135 6.399 868 HG21 VAL 106 HG21 VAL 106 4.902 -6.043 8.637 869 HG22 VAL 106 HG22 VAL 106 3.942 -6.328 7.185 870 HG23 VAL 106 HG23 VAL 106 5.665 -6.705 7.190 871 H GLU 107 H GLU 107 1.137 -9.329 9.317 872 HA GLU 107 HA GLU 107 1.807 -11.505 11.069 873 HB2 GLU 107 HB2 GLU 107 -0.536 -10.702 10.779 874 HB3 GLU 107 HB3 GLU 107 -0.488 -11.233 9.097 875 HG2 GLU 107 HG2 GLU 107 -1.600 -12.942 10.462 876 HG3 GLU 107 HG3 GLU 107 -0.069 -13.565 9.854 877 H SER 108 H SER 108 1.348 -11.124 7.558 878 HA SER 108 HA SER 108 3.493 -12.715 6.736 879 HB2 SER 108 HB2 SER 108 0.920 -14.200 7.094 880 HB3 SER 108 HB3 SER 108 1.966 -14.617 5.745 881 HG SER 108 HG SER 108 2.365 -15.782 7.754 882 H ILE 109 H ILE 109 3.236 -13.400 4.362 883 HA ILE 109 HA ILE 109 1.533 -11.455 2.923 884 HB ILE 109 HB ILE 109 4.412 -12.216 2.558 885 HG12 ILE 109 HG12 ILE 109 4.299 -9.878 1.368 886 HG13 ILE 109 HG13 ILE 109 2.653 -9.854 1.952 887 HG21 ILE 109 HG21 ILE 109 3.759 -13.291 0.526 888 HG22 ILE 109 HG22 ILE 109 4.307 -11.685 0.049 889 HG23 ILE 109 HG23 ILE 109 2.580 -12.032 0.149 890 HD11 ILE 109 HD11 ILE 109 4.543 -8.806 3.433 891 HD12 ILE 109 HD12 ILE 109 4.886 -10.476 3.875 892 HD13 ILE 109 HD13 ILE 109 3.295 -9.783 4.202 893 H GLU 110 H GLU 110 -0.097 -12.302 1.778 894 HA GLU 110 HA GLU 110 0.094 -15.178 0.997 895 HB2 GLU 110 HB2 GLU 110 -2.291 -13.602 1.969 896 HB3 GLU 110 HB3 GLU 110 -2.429 -15.180 1.193 897 HG2 GLU 110 HG2 GLU 110 -1.086 -16.222 2.917 898 HG3 GLU 110 HG3 GLU 110 -0.701 -14.660 3.629 899 H LYS 111 H LYS 111 0.344 -15.364 -1.146 900 HA LYS 111 HA LYS 111 -0.449 -13.247 -2.902 901 HB2 LYS 111 HB2 LYS 111 0.463 -14.631 -4.719 902 HB3 LYS 111 HB3 LYS 111 1.594 -14.453 -3.387 903 HG2 LYS 111 HG2 LYS 111 0.834 -16.656 -2.515 904 HG3 LYS 111 HG3 LYS 111 -0.144 -16.858 -3.963 905 HD2 LYS 111 HD2 LYS 111 1.845 -16.618 -5.384 906 HD3 LYS 111 HD3 LYS 111 2.852 -16.442 -3.947 907 HE2 LYS 111 HE2 LYS 111 2.174 -18.684 -3.190 908 HE3 LYS 111 HE3 LYS 111 1.167 -18.864 -4.627 909 HZ1 LYS 111 HZ1 LYS 111 3.271 -18.421 -5.925 910 HZ2 LYS 111 HZ2 LYS 111 3.180 -19.920 -5.129 911 HZ3 LYS 111 HZ3 LYS 111 4.115 -18.661 -4.475 912 H LEU 112 H LEU 112 -2.365 -12.881 -3.515 913 HA LEU 112 HA LEU 112 -4.482 -14.849 -3.565 914 HB2 LEU 112 HB2 LEU 112 -4.271 -11.931 -4.264 915 HB3 LEU 112 HB3 LEU 112 -5.647 -12.860 -4.856 916 HG LEU 112 HG LEU 112 -6.027 -13.615 -2.450 917 HD11 LEU 112 HD11 LEU 112 -3.858 -13.110 -1.501 918 HD12 LEU 112 HD12 LEU 112 -5.052 -12.075 -0.718 919 HD13 LEU 112 HD13 LEU 112 -3.998 -11.415 -1.969 920 HD21 LEU 112 HD21 LEU 112 -7.472 -11.933 -3.397 921 HD22 LEU 112 HD22 LEU 112 -6.233 -10.692 -3.222 922 HD23 LEU 112 HD23 LEU 112 -7.011 -11.369 -1.792 923 H GLY 113 H GLY 113 -2.424 -13.221 -5.912 924 HA2 GLY 113 HA2 GLY 113 -1.670 -14.469 -7.846 925 HA3 GLY 113 HA3 GLY 113 -3.265 -15.168 -7.947 926 H VAL 114 H VAL 114 -3.475 -14.513 -10.098 927 HA VAL 114 HA VAL 114 -3.174 -11.836 -10.968 928 HB VAL 114 HB VAL 114 -4.792 -14.108 -12.182 929 HG11 VAL 114 HG11 VAL 114 -4.513 -12.822 -14.308 930 HG12 VAL 114 HG12 VAL 114 -3.822 -11.493 -13.377 931 HG13 VAL 114 HG13 VAL 114 -5.500 -11.968 -13.121 932 HG21 VAL 114 HG21 VAL 114 -2.013 -13.119 -12.905 933 HG22 VAL 114 HG22 VAL 114 -2.829 -14.551 -13.531 934 HG23 VAL 114 HG23 VAL 114 -2.307 -14.499 -11.847 935 H ASN 115 H ASN 115 -4.371 -10.156 -10.547 936 HA ASN 115 HA ASN 115 -7.284 -10.365 -10.271 937 HB2 ASN 115 HB2 ASN 115 -5.427 -9.118 -8.236 938 HB3 ASN 115 HB3 ASN 115 -7.137 -8.731 -8.336 939 HD21 ASN 115 HD21 ASN 115 -5.968 -9.962 -6.019 940 HD22 ASN 115 HD22 ASN 115 -6.618 -11.528 -5.868 941 H HIS 116 H HIS 116 -8.266 -8.128 -10.258 942 HA HIS 116 HA HIS 116 -7.098 -6.538 -12.370 943 HB2 HIS 116 HB2 HIS 116 -9.547 -6.149 -10.630 944 HB3 HIS 116 HB3 HIS 116 -9.077 -5.047 -11.924 945 HD2 HIS 116 HD2 HIS 116 -9.713 -5.932 -14.504 946 HE1 HIS 116 HE1 HIS 116 -11.157 -9.743 -13.406 947 HE2 HIS 116 HE2 HIS 116 -10.902 -8.104 -15.329 948 H VAL 117 H VAL 117 -5.699 -4.916 -12.081 949 HA VAL 117 HA VAL 117 -5.479 -3.710 -9.389 950 HB VAL 117 HB VAL 117 -2.944 -3.343 -10.149 951 HG11 VAL 117 HG11 VAL 117 -3.243 -4.425 -8.140 952 HG12 VAL 117 HG12 VAL 117 -2.458 -5.696 -9.079 953 HG13 VAL 117 HG13 VAL 117 -4.209 -5.726 -8.838 954 HG21 VAL 117 HG21 VAL 117 -3.513 -4.601 -12.380 955 HG22 VAL 117 HG22 VAL 117 -3.429 -6.061 -11.405 956 HG23 VAL 117 HG23 VAL 117 -2.013 -5.019 -11.554 957 H TYR 118 H TYR 118 -5.206 -1.604 -9.159 958 HA TYR 118 HA TYR 118 -4.865 0.122 -11.503 959 HB2 TYR 118 HB2 TYR 118 -7.030 0.695 -9.453 960 HB3 TYR 118 HB3 TYR 118 -6.741 1.477 -10.990 961 HD1 TYR 118 HD1 TYR 118 -8.072 -1.556 -9.359 962 HD2 TYR 118 HD2 TYR 118 -7.512 0.483 -13.079 963 HE1 TYR 118 HE1 TYR 118 -9.644 -3.128 -10.440 964 HE2 TYR 118 HE2 TYR 118 -9.085 -1.088 -14.184 965 HH TYR 118 HH TYR 118 -11.233 -2.865 -12.709 966 H ASP 119 H ASP 119 -4.045 2.245 -10.855 967 HA ASP 119 HA ASP 119 -3.568 2.822 -8.071 968 HB2 ASP 119 HB2 ASP 119 -1.821 1.097 -8.712 969 HB3 ASP 119 HB3 ASP 119 -1.100 2.344 -9.733 970 H ILE 120 H ILE 120 -2.335 4.876 -7.749 971 HA ILE 120 HA ILE 120 -2.316 6.578 -10.126 972 HB ILE 120 HB ILE 120 -4.495 6.953 -9.183 973 HG12 ILE 120 HG12 ILE 120 -3.249 9.488 -8.171 974 HG13 ILE 120 HG13 ILE 120 -2.721 9.027 -9.779 975 HG21 ILE 120 HG21 ILE 120 -4.622 7.994 -6.824 976 HG22 ILE 120 HG22 ILE 120 -2.977 7.394 -6.608 977 HG23 ILE 120 HG23 ILE 120 -4.292 6.264 -6.923 978 HD11 ILE 120 HD11 ILE 120 -4.790 10.519 -9.651 979 HD12 ILE 120 HD12 ILE 120 -5.647 9.118 -9.008 980 HD13 ILE 120 HD13 ILE 120 -4.951 9.062 -10.628 981 H GLU 121 H GLU 121 -0.947 8.249 -10.184 982 HA GLU 121 HA GLU 121 1.309 8.109 -8.345 983 HB2 GLU 121 HB2 GLU 121 0.959 9.542 -10.983 984 HB3 GLU 121 HB3 GLU 121 2.458 9.478 -10.062 985 HG2 GLU 121 HG2 GLU 121 2.434 6.998 -10.232 986 HG3 GLU 121 HG3 GLU 121 0.960 7.091 -11.197 987 H VAL 122 H VAL 122 2.327 9.990 -7.455 988 HA VAL 122 HA VAL 122 0.490 12.285 -7.079 989 HB VAL 122 HB VAL 122 1.515 12.630 -4.861 990 HG11 VAL 122 HG11 VAL 122 0.440 9.817 -5.232 991 HG12 VAL 122 HG12 VAL 122 -0.558 11.269 -5.142 992 HG13 VAL 122 HG13 VAL 122 0.397 10.766 -3.747 993 HG21 VAL 122 HG21 VAL 122 2.860 9.952 -5.371 994 HG22 VAL 122 HG22 VAL 122 2.959 10.904 -3.891 995 HG23 VAL 122 HG23 VAL 122 3.681 11.512 -5.380 996 H GLU 123 H GLU 123 1.368 14.346 -6.970 997 HA GLU 123 HA GLU 123 3.333 14.824 -8.919 998 HB2 GLU 123 HB2 GLU 123 1.986 16.693 -6.988 999 HB3 GLU 123 HB3 GLU 123 3.034 17.224 -8.305 1000 HG2 GLU 123 HG2 GLU 123 1.556 15.949 -9.892 1001 HG3 GLU 123 HG3 GLU 123 0.475 15.633 -8.547 1002 H HIS 124 H HIS 124 3.633 15.174 -5.352 1003 HA HIS 124 HA HIS 124 6.188 16.480 -5.709 1004 HB2 HIS 124 HB2 HIS 124 4.420 17.063 -3.953 1005 HB3 HIS 124 HB3 HIS 124 5.044 15.687 -3.041 1006 HD2 HIS 124 HD2 HIS 124 7.586 16.114 -1.854 1007 HE1 HIS 124 HE1 HIS 124 8.107 20.066 -3.245 1008 HE2 HIS 124 HE2 HIS 124 9.050 18.273 -1.714 1009 H ASN 125 H ASN 125 5.349 13.619 -3.678 1010 HA ASN 125 HA ASN 125 8.196 12.839 -3.816 1011 HB2 ASN 125 HB2 ASN 125 7.026 13.212 -1.572 1012 HB3 ASN 125 HB3 ASN 125 6.162 11.712 -1.904 1013 HD21 ASN 125 HD21 ASN 125 9.502 13.013 -1.626 1014 HD22 ASN 125 HD22 ASN 125 10.183 11.545 -1.115 1015 H HIS 126 H HIS 126 5.625 12.067 -5.603 1016 HA HIS 126 HA HIS 126 4.769 10.193 -6.633 1017 HB2 HIS 126 HB2 HIS 126 6.504 8.810 -7.772 1018 HB3 HIS 126 HB3 HIS 126 6.762 10.538 -7.972 1019 HD2 HIS 126 HD2 HIS 126 9.181 11.487 -6.916 1020 HE1 HIS 126 HE1 HIS 126 10.446 7.859 -5.169 1021 HE2 HIS 126 HE2 HIS 126 11.136 10.239 -5.720 1022 H ASN 127 H ASN 127 4.956 9.949 -3.738 1023 HA ASN 127 HA ASN 127 4.899 7.001 -3.520 1024 HB2 ASN 127 HB2 ASN 127 6.141 9.005 -1.649 1025 HB3 ASN 127 HB3 ASN 127 5.519 7.477 -1.031 1026 HD21 ASN 127 HD21 ASN 127 8.171 8.960 -2.724 1027 HD22 ASN 127 HD22 ASN 127 9.041 7.535 -3.022 1028 H PHE 128 H PHE 128 3.245 6.157 -2.153 1029 HA PHE 128 HA PHE 128 1.426 8.043 -0.884 1030 HB2 PHE 128 HB2 PHE 128 -0.577 7.248 -2.065 1031 HB3 PHE 128 HB3 PHE 128 0.564 7.997 -3.178 1032 HD1 PHE 128 HD1 PHE 128 -0.939 4.826 -2.060 1033 HD2 PHE 128 HD2 PHE 128 1.790 6.661 -4.821 1034 HE1 PHE 128 HE1 PHE 128 -0.899 2.745 -3.404 1035 HE2 PHE 128 HE2 PHE 128 1.826 4.576 -6.164 1036 HZ PHE 128 HZ PHE 128 0.484 2.620 -5.453 1037 H VAL 129 H VAL 129 -0.299 6.986 0.361 1038 HA VAL 129 HA VAL 129 0.676 4.427 1.474 1039 HB VAL 129 HB VAL 129 -1.110 6.526 2.753 1040 HG11 VAL 129 HG11 VAL 129 0.239 4.107 3.999 1041 HG12 VAL 129 HG12 VAL 129 -1.473 4.203 3.589 1042 HG13 VAL 129 HG13 VAL 129 -0.803 5.268 4.824 1043 HG21 VAL 129 HG21 VAL 129 1.067 7.486 2.615 1044 HG22 VAL 129 HG22 VAL 129 1.857 5.951 2.976 1045 HG23 VAL 129 HG23 VAL 129 0.983 6.812 4.242 1046 H ALA 130 H ALA 130 -0.438 2.679 0.933 1047 HA ALA 130 HA ALA 130 -3.261 2.947 0.166 1048 HB1 ALA 130 HB1 ALA 130 -1.223 0.799 -0.419 1049 HB2 ALA 130 HB2 ALA 130 -1.930 1.942 -1.561 1050 HB3 ALA 130 HB3 ALA 130 -2.932 0.683 -0.839 1051 H ASN 131 H ASN 131 -4.691 2.430 1.650 1052 HA ASN 131 HA ASN 131 -5.723 1.483 3.456 1053 HB2 ASN 131 HB2 ASN 131 -5.394 -0.468 1.823 1054 HB3 ASN 131 HB3 ASN 131 -4.062 -0.958 2.861 1055 HD21 ASN 131 HD21 ASN 131 -6.591 -2.453 2.448 1056 HD22 ASN 131 HD22 ASN 131 -7.323 -2.575 3.973 1057 H GLY 132 H GLY 132 -3.449 3.035 4.126 1058 HA2 GLY 132 HA2 GLY 132 -2.437 3.586 6.141 1059 HA3 GLY 132 HA3 GLY 132 -2.908 2.019 6.778 1060 H LEU 133 H LEU 133 -1.373 1.448 3.861 1061 HA LEU 133 HA LEU 133 1.239 1.025 5.191 1062 HB2 LEU 133 HB2 LEU 133 0.076 -1.081 4.594 1063 HB3 LEU 133 HB3 LEU 133 -0.027 -0.551 2.919 1064 HG LEU 133 HG LEU 133 2.490 -0.457 2.852 1065 HD11 LEU 133 HD11 LEU 133 3.727 -1.662 4.656 1066 HD12 LEU 133 HD12 LEU 133 2.230 -1.758 5.583 1067 HD13 LEU 133 HD13 LEU 133 2.954 -0.187 5.239 1068 HD21 LEU 133 HD21 LEU 133 1.077 -3.053 3.506 1069 HD22 LEU 133 HD22 LEU 133 2.766 -3.020 2.998 1070 HD23 LEU 133 HD23 LEU 133 1.509 -2.418 1.919 1071 H LEU 134 H LEU 134 2.861 2.257 4.445 1072 HA LEU 134 HA LEU 134 2.567 3.910 2.128 1073 HB2 LEU 134 HB2 LEU 134 3.855 4.802 3.956 1074 HB3 LEU 134 HB3 LEU 134 4.931 3.413 3.964 1075 HG LEU 134 HG LEU 134 5.773 4.071 1.702 1076 HD11 LEU 134 HD11 LEU 134 4.004 5.243 0.675 1077 HD12 LEU 134 HD12 LEU 134 5.192 6.503 1.002 1078 HD13 LEU 134 HD13 LEU 134 3.786 6.320 2.056 1079 HD21 LEU 134 HD21 LEU 134 6.740 4.941 3.934 1080 HD22 LEU 134 HD22 LEU 134 5.931 6.448 3.553 1081 HD23 LEU 134 HD23 LEU 134 7.181 5.833 2.477 1082 H VAL 135 H VAL 135 3.018 3.517 0.102 1083 HA VAL 135 HA VAL 135 4.903 1.357 -0.572 1084 HB VAL 135 HB VAL 135 3.456 0.677 -2.455 1085 HG11 VAL 135 HG11 VAL 135 1.958 -0.635 -1.159 1086 HG12 VAL 135 HG12 VAL 135 1.863 0.582 0.113 1087 HG13 VAL 135 HG13 VAL 135 3.343 -0.346 -0.108 1088 HG21 VAL 135 HG21 VAL 135 1.115 1.470 -2.537 1089 HG22 VAL 135 HG22 VAL 135 2.227 2.824 -2.725 1090 HG23 VAL 135 HG23 VAL 135 1.425 2.549 -1.177 1091 H HIS 136 H HIS 136 5.951 1.527 -2.526 1092 HA HIS 136 HA HIS 136 6.357 4.274 -3.452 1093 HB2 HIS 136 HB2 HIS 136 8.296 2.903 -2.647 1094 HB3 HIS 136 HB3 HIS 136 8.038 1.813 -3.997 1095 HD2 HIS 136 HD2 HIS 136 9.681 5.247 -3.257 1096 HE1 HIS 136 HE1 HIS 136 9.852 4.685 -7.437 1097 HE2 HIS 136 HE2 HIS 136 10.669 6.120 -5.510 1098 H ASN 137 H ASN 137 6.414 4.818 -5.657 1099 HA ASN 137 HA ASN 137 5.540 2.876 -7.642 1100 HB2 ASN 137 HB2 ASN 137 3.411 3.634 -6.726 1101 HB3 ASN 137 HB3 ASN 137 3.873 5.316 -6.975 1102 HD21 ASN 137 HD21 ASN 137 2.531 2.497 -8.514 1103 HD22 ASN 137 HD22 ASN 137 2.371 3.167 -10.065 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 4.242 -0.064 -5.882 2 H2 GLU 1 HT2 GLU 1 3.384 -1.308 -6.656 3 H3 GLU 1 HT3 GLU 1 2.615 -0.340 -5.491 4 HA GLU 1 HA GLU 1 2.853 1.603 -6.910 5 HB2 GLU 1 HB2 GLU 1 3.595 1.266 -9.267 6 HB3 GLU 1 HB3 GLU 1 4.882 0.933 -8.111 7 HG2 GLU 1 HG2 GLU 1 4.428 -1.487 -8.287 8 HG3 GLU 1 HG3 GLU 1 3.119 -1.166 -9.424 9 H ALA 2 H ALA 2 1.780 -1.705 -7.422 10 HA ALA 2 HA ALA 2 -0.716 -0.695 -8.648 11 HB1 ALA 2 HB1 ALA 2 1.045 -2.500 -9.766 12 HB2 ALA 2 HB2 ALA 2 -0.648 -2.320 -10.207 13 HB3 ALA 2 HB3 ALA 2 -0.168 -3.555 -9.044 14 H LEU 3 H LEU 3 -2.600 -1.114 -7.616 15 HA LEU 3 HA LEU 3 -2.531 -3.000 -5.328 16 HB2 LEU 3 HB2 LEU 3 -4.120 -0.428 -5.565 17 HB3 LEU 3 HB3 LEU 3 -4.152 -1.529 -4.189 18 HG LEU 3 HG LEU 3 -2.715 0.241 -3.512 19 HD11 LEU 3 HD11 LEU 3 -0.734 -0.795 -2.941 20 HD12 LEU 3 HD12 LEU 3 -0.520 -1.537 -4.528 21 HD13 LEU 3 HD13 LEU 3 -1.710 -2.188 -3.404 22 HD21 LEU 3 HD21 LEU 3 -1.214 1.434 -4.856 23 HD22 LEU 3 HD22 LEU 3 -2.473 1.022 -6.015 24 HD23 LEU 3 HD23 LEU 3 -0.976 0.092 -5.972 25 H THR 4 H THR 4 -4.389 -4.292 -4.967 26 HA THR 4 HA THR 4 -5.881 -4.983 -7.293 27 HB THR 4 HB THR 4 -7.164 -6.471 -5.786 28 HG1 THR 4 HG1 THR 4 -5.625 -5.276 -3.731 29 HG21 THR 4 HG21 THR 4 -5.342 -7.877 -5.118 30 HG22 THR 4 HG22 THR 4 -4.234 -6.507 -5.033 31 HG23 THR 4 HG23 THR 4 -4.840 -7.055 -6.597 32 H GLY 5 H GLY 5 -8.247 -4.877 -7.496 33 HA2 GLY 5 HA2 GLY 5 -9.220 -2.272 -7.375 34 HA3 GLY 5 HA3 GLY 5 -10.206 -3.697 -7.667 35 H ASP 6 H ASP 6 -9.789 -5.005 -5.216 36 HA ASP 6 HA ASP 6 -11.733 -3.697 -3.584 37 HB2 ASP 6 HB2 ASP 6 -10.000 -6.115 -3.087 38 HB3 ASP 6 HB3 ASP 6 -11.197 -5.507 -1.942 39 H ALA 7 H ALA 7 -8.263 -3.639 -3.647 40 HA ALA 7 HA ALA 7 -7.732 -2.873 -0.990 41 HB1 ALA 7 HB1 ALA 7 -6.207 -2.132 -3.498 42 HB2 ALA 7 HB2 ALA 7 -5.972 -3.600 -2.554 43 HB3 ALA 7 HB3 ALA 7 -5.598 -2.030 -1.849 44 H LEU 8 H LEU 8 -7.245 -0.803 -0.135 45 HA LEU 8 HA LEU 8 -8.536 1.454 -1.528 46 HB2 LEU 8 HB2 LEU 8 -9.347 2.285 0.647 47 HB3 LEU 8 HB3 LEU 8 -10.071 0.742 0.212 48 HG LEU 8 HG LEU 8 -7.562 0.738 1.910 49 HD11 LEU 8 HD11 LEU 8 -8.781 1.041 3.951 50 HD12 LEU 8 HD12 LEU 8 -10.325 1.066 3.100 51 HD13 LEU 8 HD13 LEU 8 -9.190 2.402 2.907 52 HD21 LEU 8 HD21 LEU 8 -9.996 -1.034 1.535 53 HD22 LEU 8 HD22 LEU 8 -8.934 -1.241 2.927 54 HD23 LEU 8 HD23 LEU 8 -8.302 -1.456 1.302 55 H ILE 9 H ILE 9 -7.678 3.484 -1.204 56 HA ILE 9 HA ILE 9 -4.990 3.570 -0.002 57 HB ILE 9 HB ILE 9 -5.923 4.917 -2.568 58 HG12 ILE 9 HG12 ILE 9 -3.792 2.779 -2.196 59 HG13 ILE 9 HG13 ILE 9 -5.456 2.400 -2.631 60 HG21 ILE 9 HG21 ILE 9 -3.120 4.842 -1.376 61 HG22 ILE 9 HG22 ILE 9 -4.215 6.203 -1.137 62 HG23 ILE 9 HG23 ILE 9 -3.662 5.791 -2.759 63 HD11 ILE 9 HD11 ILE 9 -5.284 3.533 -4.719 64 HD12 ILE 9 HD12 ILE 9 -3.772 2.638 -4.573 65 HD13 ILE 9 HD13 ILE 9 -3.806 4.368 -4.238 66 H LEU 10 H LEU 10 -4.419 5.401 1.131 67 HA LEU 10 HA LEU 10 -6.483 6.910 2.360 68 HB2 LEU 10 HB2 LEU 10 -3.494 7.423 2.231 69 HB3 LEU 10 HB3 LEU 10 -4.614 8.287 3.273 70 HG LEU 10 HG LEU 10 -4.203 5.285 3.359 71 HD11 LEU 10 HD11 LEU 10 -2.768 5.623 5.240 72 HD12 LEU 10 HD12 LEU 10 -3.200 7.326 5.362 73 HD13 LEU 10 HD13 LEU 10 -2.200 6.765 4.025 74 HD21 LEU 10 HD21 LEU 10 -6.313 5.665 4.344 75 HD22 LEU 10 HD22 LEU 10 -5.874 7.267 4.934 76 HD23 LEU 10 HD23 LEU 10 -5.264 5.834 5.748 77 H SER 11 H SER 11 -7.245 8.948 1.960 78 HA SER 11 HA SER 11 -6.091 10.490 -0.237 79 HB2 SER 11 HB2 SER 11 -8.242 10.842 -1.252 80 HB3 SER 11 HB3 SER 11 -7.915 9.124 -1.164 81 HG SER 11 HG SER 11 -9.702 8.988 -0.063 82 H ASP 12 H ASP 12 -7.640 12.621 -0.371 83 HA ASP 12 HA ASP 12 -6.949 14.124 1.863 84 HB2 ASP 12 HB2 ASP 12 -7.348 15.135 -0.313 85 HB3 ASP 12 HB3 ASP 12 -9.050 14.711 -0.255 86 H ARG 13 H ARG 13 -10.039 12.542 1.046 87 HA ARG 13 HA ARG 13 -11.408 13.523 3.386 88 HB2 ARG 13 HB2 ARG 13 -12.544 12.698 1.269 89 HB3 ARG 13 HB3 ARG 13 -12.141 11.063 1.800 90 HG2 ARG 13 HG2 ARG 13 -13.276 11.944 4.102 91 HG3 ARG 13 HG3 ARG 13 -14.100 13.019 2.977 92 HD2 ARG 13 HD2 ARG 13 -15.494 11.101 3.210 93 HD3 ARG 13 HD3 ARG 13 -14.708 10.936 1.641 94 HE ARG 13 HE ARG 13 -13.010 9.561 3.198 95 HH11 ARG 13 HH11 ARG 13 -16.522 9.452 3.079 96 HH12 ARG 13 HH12 ARG 13 -16.604 7.794 3.575 97 HH21 ARG 13 HH21 ARG 13 -13.167 7.405 3.842 98 HH22 ARG 13 HH22 ARG 13 -14.713 6.643 4.004 99 H GLY 14 H GLY 14 -9.509 10.648 2.591 100 HA2 GLY 14 HA2 GLY 14 -8.365 9.801 4.761 101 HA3 GLY 14 HA3 GLY 14 -10.026 9.495 5.263 102 H TRP 15 H TRP 15 -9.524 7.226 5.435 103 HA TRP 15 HA TRP 15 -8.478 5.582 3.417 104 HB2 TRP 15 HB2 TRP 15 -10.211 5.161 5.824 105 HB3 TRP 15 HB3 TRP 15 -10.170 3.859 4.644 106 HD1 TRP 15 HD1 TRP 15 -7.631 2.923 4.028 107 HE1 TRP 15 HE1 TRP 15 -5.627 2.596 5.606 108 HE3 TRP 15 HE3 TRP 15 -9.027 5.973 7.878 109 HZ2 TRP 15 HZ2 TRP 15 -4.731 3.494 8.164 110 HZ3 TRP 15 HZ3 TRP 15 -7.577 6.215 9.878 111 HH2 TRP 15 HH2 TRP 15 -5.431 4.977 10.023 112 H LEU 16 H LEU 16 -9.207 5.504 1.362 113 HA LEU 16 HA LEU 16 -12.000 4.753 0.969 114 HB2 LEU 16 HB2 LEU 16 -10.731 7.169 -0.310 115 HB3 LEU 16 HB3 LEU 16 -12.080 6.326 -1.075 116 HG LEU 16 HG LEU 16 -12.172 7.316 1.793 117 HD11 LEU 16 HD11 LEU 16 -12.971 8.677 -0.786 118 HD12 LEU 16 HD12 LEU 16 -11.906 9.295 0.477 119 HD13 LEU 16 HD13 LEU 16 -13.638 9.149 0.775 120 HD21 LEU 16 HD21 LEU 16 -13.851 5.645 1.396 121 HD22 LEU 16 HD22 LEU 16 -14.208 6.285 -0.207 122 HD23 LEU 16 HD23 LEU 16 -14.696 7.182 1.221 123 H ARG 17 H ARG 17 -12.449 3.638 -0.938 124 HA ARG 17 HA ARG 17 -10.611 1.702 -1.642 125 HB2 ARG 17 HB2 ARG 17 -12.940 2.699 -3.302 126 HB3 ARG 17 HB3 ARG 17 -12.100 1.173 -3.540 127 HG2 ARG 17 HG2 ARG 17 -13.359 1.893 -0.886 128 HG3 ARG 17 HG3 ARG 17 -14.273 1.090 -2.161 129 HD2 ARG 17 HD2 ARG 17 -11.680 0.029 -0.993 130 HD3 ARG 17 HD3 ARG 17 -13.282 -0.505 -0.505 131 HE ARG 17 HE ARG 17 -11.892 -1.226 -2.939 132 HH11 ARG 17 HH11 ARG 17 -15.017 -1.020 -1.343 133 HH12 ARG 17 HH12 ARG 17 -15.791 -2.114 -2.441 134 HH21 ARG 17 HH21 ARG 17 -12.987 -2.548 -4.435 135 HH22 ARG 17 HH22 ARG 17 -14.644 -2.974 -4.175 136 H ILE 18 H ILE 18 -9.429 1.273 -3.511 137 HA ILE 18 HA ILE 18 -7.668 3.237 -4.343 138 HB ILE 18 HB ILE 18 -7.048 1.635 -6.214 139 HG12 ILE 18 HG12 ILE 18 -8.186 -0.725 -5.811 140 HG13 ILE 18 HG13 ILE 18 -9.500 0.199 -5.114 141 HG21 ILE 18 HG21 ILE 18 -6.582 -0.290 -4.403 142 HG22 ILE 18 HG22 ILE 18 -7.086 0.977 -3.289 143 HG23 ILE 18 HG23 ILE 18 -5.735 1.245 -4.380 144 HD11 ILE 18 HD11 ILE 18 -10.293 0.573 -7.172 145 HD12 ILE 18 HD12 ILE 18 -8.927 -0.274 -7.874 146 HD13 ILE 18 HD13 ILE 18 -8.834 1.459 -7.614 147 H ASP 19 H ASP 19 -10.838 2.585 -5.622 148 HA ASP 19 HA ASP 19 -10.303 4.410 -7.897 149 HB2 ASP 19 HB2 ASP 19 -10.909 2.054 -8.495 150 HB3 ASP 19 HB3 ASP 19 -12.491 2.332 -7.772 151 H ASP 20 H ASP 20 -11.215 5.106 -5.083 152 HA ASP 20 HA ASP 20 -13.916 6.090 -5.495 153 HB2 ASP 20 HB2 ASP 20 -11.994 6.337 -3.185 154 HB3 ASP 20 HB3 ASP 20 -13.517 7.216 -3.232 155 HA PRO 21 HA PRO 21 -13.264 10.075 -7.270 156 HB2 PRO 21 HB2 PRO 21 -14.687 11.267 -4.922 157 HB3 PRO 21 HB3 PRO 21 -14.976 11.503 -6.661 158 HG2 PRO 21 HG2 PRO 21 -16.602 9.980 -5.294 159 HG3 PRO 21 HG3 PRO 21 -16.040 9.447 -6.893 160 HD2 PRO 21 HD2 PRO 21 -15.136 8.522 -4.183 161 HD3 PRO 21 HD3 PRO 21 -15.418 7.568 -5.664 162 H THR 22 H THR 22 -12.577 9.785 -3.812 163 HA THR 22 HA THR 22 -11.028 12.160 -3.581 164 HB THR 22 HB THR 22 -10.253 11.194 -1.435 165 HG1 THR 22 HG1 THR 22 -11.753 8.956 -2.312 166 HG21 THR 22 HG21 THR 22 -12.503 12.319 -1.755 167 HG22 THR 22 HG22 THR 22 -12.375 11.245 -0.363 168 HG23 THR 22 HG23 THR 22 -13.206 10.702 -1.821 169 H LEU 23 H LEU 23 -10.203 8.822 -4.449 170 HA LEU 23 HA LEU 23 -7.379 9.352 -4.411 171 HB2 LEU 23 HB2 LEU 23 -8.998 7.016 -4.463 172 HB3 LEU 23 HB3 LEU 23 -8.093 6.987 -5.964 173 HG LEU 23 HG LEU 23 -6.890 5.769 -4.197 174 HD11 LEU 23 HD11 LEU 23 -5.535 6.885 -5.884 175 HD12 LEU 23 HD12 LEU 23 -4.710 6.936 -4.327 176 HD13 LEU 23 HD13 LEU 23 -5.536 8.371 -4.936 177 HD21 LEU 23 HD21 LEU 23 -7.778 7.067 -2.248 178 HD22 LEU 23 HD22 LEU 23 -6.754 8.423 -2.717 179 HD23 LEU 23 HD23 LEU 23 -6.024 6.924 -2.193 180 H GLN 24 H GLN 24 -9.918 9.492 -6.817 181 HA GLN 24 HA GLN 24 -7.980 9.731 -8.987 182 HB2 GLN 24 HB2 GLN 24 -10.978 9.518 -8.887 183 HB3 GLN 24 HB3 GLN 24 -10.182 10.103 -10.347 184 HG2 GLN 24 HG2 GLN 24 -10.364 7.759 -10.675 185 HG3 GLN 24 HG3 GLN 24 -8.694 8.009 -10.167 186 HE21 GLN 24 HE21 GLN 24 -8.030 6.580 -8.574 187 HE22 GLN 24 HE22 GLN 24 -9.049 5.825 -7.448 188 H GLU 25 H GLU 25 -10.000 11.865 -7.065 189 HA GLU 25 HA GLU 25 -9.073 14.137 -8.727 190 HB2 GLU 25 HB2 GLU 25 -11.754 13.719 -7.420 191 HB3 GLU 25 HB3 GLU 25 -11.214 15.277 -8.044 192 HG2 GLU 25 HG2 GLU 25 -12.394 14.360 -9.864 193 HG3 GLU 25 HG3 GLU 25 -10.721 13.994 -10.256 194 H CYS 26 H CYS 26 -8.712 12.844 -5.620 195 HA CYS 26 HA CYS 26 -8.122 15.539 -4.572 196 HB2 CYS 26 HB2 CYS 26 -9.366 13.271 -3.002 197 HB3 CYS 26 HB3 CYS 26 -8.760 14.763 -2.325 198 HG CYS 26 HG CYS 26 -11.093 14.736 -4.410 199 H ARG 27 H ARG 27 -6.603 15.634 -2.853 200 HA ARG 27 HA ARG 27 -4.151 14.469 -3.534 201 HB2 ARG 27 HB2 ARG 27 -5.020 15.864 -1.001 202 HB3 ARG 27 HB3 ARG 27 -3.347 15.483 -1.406 203 HG2 ARG 27 HG2 ARG 27 -3.399 16.907 -3.338 204 HG3 ARG 27 HG3 ARG 27 -5.146 17.125 -3.203 205 HD2 ARG 27 HD2 ARG 27 -3.176 17.978 -1.071 206 HD3 ARG 27 HD3 ARG 27 -3.810 19.059 -2.312 207 HE ARG 27 HE ARG 27 -5.268 18.008 -0.007 208 HH11 ARG 27 HH11 ARG 27 -5.535 19.533 -3.162 209 HH12 ARG 27 HH12 ARG 27 -7.122 20.156 -2.858 210 HH21 ARG 27 HH21 ARG 27 -7.330 18.855 0.352 211 HH22 ARG 27 HH22 ARG 27 -8.128 19.775 -0.880 212 H VAL 28 H VAL 28 -2.756 13.081 -2.238 213 HA VAL 28 HA VAL 28 -4.190 11.293 -0.371 214 HB VAL 28 HB VAL 28 -3.010 9.325 -1.309 215 HG11 VAL 28 HG11 VAL 28 -4.346 9.228 -3.433 216 HG12 VAL 28 HG12 VAL 28 -4.732 10.935 -3.210 217 HG13 VAL 28 HG13 VAL 28 -5.279 9.746 -2.029 218 HG21 VAL 28 HG21 VAL 28 -1.838 9.468 -3.406 219 HG22 VAL 28 HG22 VAL 28 -1.147 10.705 -2.352 220 HG23 VAL 28 HG23 VAL 28 -2.297 11.159 -3.612 221 H LEU 29 H LEU 29 -2.829 10.085 1.105 222 HA LEU 29 HA LEU 29 -0.741 11.792 2.139 223 HB2 LEU 29 HB2 LEU 29 -2.000 9.260 3.185 224 HB3 LEU 29 HB3 LEU 29 -0.707 10.116 4.023 225 HG LEU 29 HG LEU 29 -3.297 11.458 3.195 226 HD11 LEU 29 HD11 LEU 29 -3.784 9.628 4.771 227 HD12 LEU 29 HD12 LEU 29 -3.987 11.193 5.556 228 HD13 LEU 29 HD13 LEU 29 -2.541 10.232 5.865 229 HD21 LEU 29 HD21 LEU 29 -0.998 12.172 5.051 230 HD22 LEU 29 HD22 LEU 29 -2.535 13.031 5.071 231 HD23 LEU 29 HD23 LEU 29 -1.532 13.055 3.621 232 H SER 30 H SER 30 1.358 11.368 2.482 233 HA SER 30 HA SER 30 2.577 8.829 1.827 234 HB2 SER 30 HB2 SER 30 3.954 9.553 0.027 235 HB3 SER 30 HB3 SER 30 2.304 10.022 -0.377 236 HG SER 30 HG SER 30 4.420 11.607 0.622 237 H TYR 31 H TYR 31 5.071 9.085 2.079 238 HA TYR 31 HA TYR 31 5.520 10.782 4.449 239 HB2 TYR 31 HB2 TYR 31 5.979 8.312 4.583 240 HB3 TYR 31 HB3 TYR 31 7.276 8.552 3.409 241 HD1 TYR 31 HD1 TYR 31 6.074 9.443 6.812 242 HD2 TYR 31 HD2 TYR 31 9.369 9.532 4.058 243 HE1 TYR 31 HE1 TYR 31 7.590 10.135 8.647 244 HE2 TYR 31 HE2 TYR 31 10.884 10.224 5.893 245 HH TYR 31 HH TYR 31 9.884 10.181 9.215 246 H ASN 32 H ASN 32 6.246 12.725 3.988 247 HA ASN 32 HA ASN 32 7.940 13.166 1.698 248 HB2 ASN 32 HB2 ASN 32 6.243 14.803 3.361 249 HB3 ASN 32 HB3 ASN 32 7.851 15.511 3.341 250 HD21 ASN 32 HD21 ASN 32 8.765 15.058 0.792 251 HD22 ASN 32 HD22 ASN 32 7.729 15.748 -0.362 252 H GLU 33 H GLU 33 9.544 11.679 2.418 253 HA GLU 33 HA GLU 33 11.097 11.875 4.713 254 HB2 GLU 33 HB2 GLU 33 12.907 10.782 3.371 255 HB3 GLU 33 HB3 GLU 33 11.345 9.974 3.248 256 HG2 GLU 33 HG2 GLU 33 10.899 11.112 1.127 257 HG3 GLU 33 HG3 GLU 33 12.451 11.951 1.226 258 H SER 34 H SER 34 10.914 14.099 2.107 259 HA SER 34 HA SER 34 13.451 15.322 2.213 260 HB2 SER 34 HB2 SER 34 11.777 15.802 0.454 261 HB3 SER 34 HB3 SER 34 10.730 16.533 1.665 262 HG SER 34 HG SER 34 13.079 17.472 0.505 263 H THR 35 H THR 35 10.439 15.847 4.034 264 HA THR 35 HA THR 35 11.922 17.551 5.956 265 HB THR 35 HB THR 35 9.722 18.494 6.590 266 HG1 THR 35 HG1 THR 35 8.745 17.101 4.332 267 HG21 THR 35 HG21 THR 35 10.129 18.663 3.601 268 HG22 THR 35 HG22 THR 35 11.200 19.454 4.756 269 HG23 THR 35 HG23 THR 35 9.496 19.906 4.680 270 H GLN 36 H GLN 36 10.780 14.437 5.664 271 HA GLN 36 HA GLN 36 10.392 12.719 7.118 272 HB2 GLN 36 HB2 GLN 36 11.496 14.609 9.227 273 HB3 GLN 36 HB3 GLN 36 11.323 12.864 9.386 274 HG2 GLN 36 HG2 GLN 36 13.587 13.118 8.794 275 HG3 GLN 36 HG3 GLN 36 12.818 12.744 7.253 276 HE21 GLN 36 HE21 GLN 36 13.249 15.771 9.195 277 HE22 GLN 36 HE22 GLN 36 13.823 16.688 7.887 278 H GLN 37 H GLN 37 8.261 14.531 6.517 279 HA GLN 37 HA GLN 37 6.526 14.025 8.841 280 HB2 GLN 37 HB2 GLN 37 6.806 16.674 7.413 281 HB3 GLN 37 HB3 GLN 37 5.440 16.271 8.455 282 HG2 GLN 37 HG2 GLN 37 6.879 15.977 10.363 283 HG3 GLN 37 HG3 GLN 37 8.326 16.108 9.367 284 HE21 GLN 37 HE21 GLN 37 7.593 17.840 11.670 285 HE22 GLN 37 HE22 GLN 37 7.485 19.420 11.060 286 H TRP 38 H TRP 38 4.254 13.896 8.322 287 HA TRP 38 HA TRP 38 3.733 12.658 5.786 288 HB2 TRP 38 HB2 TRP 38 1.927 13.487 8.066 289 HB3 TRP 38 HB3 TRP 38 1.318 12.725 6.600 290 HD1 TRP 38 HD1 TRP 38 2.820 11.939 9.892 291 HE1 TRP 38 HE1 TRP 38 3.363 9.425 10.046 292 HE3 TRP 38 HE3 TRP 38 2.232 10.615 5.014 293 HZ2 TRP 38 HZ2 TRP 38 3.533 7.145 8.318 294 HZ3 TRP 38 HZ3 TRP 38 2.596 8.278 4.278 295 HH2 TRP 38 HH2 TRP 38 3.242 6.534 5.913 296 H GLU 39 H GLU 39 2.778 13.438 3.990 297 HA GLU 39 HA GLU 39 1.711 16.177 3.999 298 HB2 GLU 39 HB2 GLU 39 3.836 15.201 2.085 299 HB3 GLU 39 HB3 GLU 39 2.994 16.744 1.968 300 HG2 GLU 39 HG2 GLU 39 4.704 15.867 4.325 301 HG3 GLU 39 HG3 GLU 39 5.220 16.984 3.066 302 H TRP 40 H TRP 40 0.497 16.712 2.081 303 HA TRP 40 HA TRP 40 -0.793 14.350 0.875 304 HB2 TRP 40 HB2 TRP 40 -1.786 17.018 1.758 305 HB3 TRP 40 HB3 TRP 40 -2.455 16.445 0.237 306 HD1 TRP 40 HD1 TRP 40 -3.312 13.718 0.423 307 HE1 TRP 40 HE1 TRP 40 -4.789 12.709 2.275 308 HE3 TRP 40 HE3 TRP 40 -2.559 17.156 4.126 309 HZ2 TRP 40 HZ2 TRP 40 -5.555 13.273 4.957 310 HZ3 TRP 40 HZ3 TRP 40 -3.680 16.893 6.325 311 HH2 TRP 40 HH2 TRP 40 -5.176 14.957 6.746 312 H GLN 41 H GLN 41 -0.964 14.127 -1.297 313 HA GLN 41 HA GLN 41 0.201 16.199 -3.037 314 HB2 GLN 41 HB2 GLN 41 1.235 14.159 -4.361 315 HB3 GLN 41 HB3 GLN 41 2.072 14.898 -3.014 316 HG2 GLN 41 HG2 GLN 41 0.265 12.557 -2.484 317 HG3 GLN 41 HG3 GLN 41 1.895 12.277 -3.097 318 HE21 GLN 41 HE21 GLN 41 3.510 14.011 -1.827 319 HE22 GLN 41 HE22 GLN 41 3.390 13.881 -0.140 320 H GLN 42 H GLN 42 -0.581 16.290 -5.135 321 HA GLN 42 HA GLN 42 -3.234 15.326 -5.377 322 HB2 GLN 42 HB2 GLN 42 -1.432 16.866 -7.215 323 HB3 GLN 42 HB3 GLN 42 -3.050 16.361 -7.708 324 HG2 GLN 42 HG2 GLN 42 -2.511 17.931 -5.177 325 HG3 GLN 42 HG3 GLN 42 -2.844 18.696 -6.724 326 HE21 GLN 42 HE21 GLN 42 -4.703 15.750 -6.471 327 HE22 GLN 42 HE22 GLN 42 -6.147 16.459 -5.939 328 H VAL 43 H VAL 43 -4.108 13.869 -6.681 329 HA VAL 43 HA VAL 43 -2.419 11.710 -7.606 330 HB VAL 43 HB VAL 43 -4.550 10.533 -8.012 331 HG11 VAL 43 HG11 VAL 43 -4.082 11.902 -5.369 332 HG12 VAL 43 HG12 VAL 43 -3.861 10.212 -5.801 333 HG13 VAL 43 HG13 VAL 43 -5.481 10.851 -5.560 334 HG21 VAL 43 HG21 VAL 43 -5.705 13.278 -7.491 335 HG22 VAL 43 HG22 VAL 43 -6.669 11.841 -7.159 336 HG23 VAL 43 HG23 VAL 43 -6.064 12.147 -8.788 337 H LEU 44 H LEU 44 -1.392 12.137 -9.419 338 HA LEU 44 HA LEU 44 -2.136 13.896 -11.461 339 HB2 LEU 44 HB2 LEU 44 -0.281 11.580 -11.360 340 HB3 LEU 44 HB3 LEU 44 -0.414 12.605 -12.788 341 HG LEU 44 HG LEU 44 0.159 13.707 -10.026 342 HD11 LEU 44 HD11 LEU 44 1.889 12.039 -10.835 343 HD12 LEU 44 HD12 LEU 44 2.512 13.671 -10.571 344 HD13 LEU 44 HD13 LEU 44 2.173 13.106 -12.211 345 HD21 LEU 44 HD21 LEU 44 0.078 14.800 -12.852 346 HD22 LEU 44 HD22 LEU 44 1.224 15.508 -11.728 347 HD23 LEU 44 HD23 LEU 44 -0.495 15.529 -11.355 348 H ARG 45 H ARG 45 -2.435 10.329 -11.391 349 HA ARG 45 HA ARG 45 -4.485 10.417 -13.479 350 HB2 ARG 45 HB2 ARG 45 -2.482 10.582 -14.819 351 HB3 ARG 45 HB3 ARG 45 -1.705 9.279 -13.934 352 HG2 ARG 45 HG2 ARG 45 -2.467 8.374 -16.053 353 HG3 ARG 45 HG3 ARG 45 -3.534 7.728 -14.810 354 HD2 ARG 45 HD2 ARG 45 -4.860 8.482 -16.711 355 HD3 ARG 45 HD3 ARG 45 -5.177 9.523 -15.326 356 HE ARG 45 HE ARG 45 -4.162 11.294 -16.468 357 HH11 ARG 45 HH11 ARG 45 -3.526 8.293 -18.182 358 HH12 ARG 45 HH12 ARG 45 -2.863 9.087 -19.573 359 HH21 ARG 45 HH21 ARG 45 -3.280 12.289 -18.301 360 HH22 ARG 45 HH22 ARG 45 -2.725 11.335 -19.636 361 H TRP 46 H TRP 46 -5.617 8.486 -13.756 362 HA TRP 46 HA TRP 46 -5.260 6.487 -11.615 363 HB2 TRP 46 HB2 TRP 46 -7.467 7.687 -11.819 364 HB3 TRP 46 HB3 TRP 46 -7.665 6.946 -13.406 365 HD1 TRP 46 HD1 TRP 46 -6.866 5.723 -9.815 366 HE1 TRP 46 HE1 TRP 46 -8.146 3.528 -9.411 367 HE3 TRP 46 HE3 TRP 46 -9.123 5.164 -14.363 368 HZ2 TRP 46 HZ2 TRP 46 -9.889 1.776 -10.810 369 HZ3 TRP 46 HZ3 TRP 46 -10.596 3.213 -14.792 370 HH2 TRP 46 HH2 TRP 46 -10.978 1.519 -13.013 371 H LEU 47 H LEU 47 -4.066 4.810 -12.288 372 HA LEU 47 HA LEU 47 -4.135 3.977 -15.098 373 HB2 LEU 47 HB2 LEU 47 -2.211 3.340 -12.852 374 HB3 LEU 47 HB3 LEU 47 -2.082 2.697 -14.489 375 HG LEU 47 HG LEU 47 -2.196 5.669 -13.911 376 HD11 LEU 47 HD11 LEU 47 -0.210 4.651 -12.822 377 HD12 LEU 47 HD12 LEU 47 0.238 5.675 -14.187 378 HD13 LEU 47 HD13 LEU 47 0.240 3.920 -14.363 379 HD21 LEU 47 HD21 LEU 47 -1.442 3.956 -16.289 380 HD22 LEU 47 HD22 LEU 47 -1.080 5.684 -16.203 381 HD23 LEU 47 HD23 LEU 47 -2.755 5.127 -16.186 382 H ASP 48 H ASP 48 -5.341 2.326 -15.691 383 HA ASP 48 HA ASP 48 -6.244 0.350 -13.723 384 HB2 ASP 48 HB2 ASP 48 -7.782 -0.395 -15.516 385 HB3 ASP 48 HB3 ASP 48 -7.967 1.315 -15.153 386 H GLN 49 H GLN 49 -4.537 -1.006 -13.378 387 HA GLN 49 HA GLN 49 -2.878 -2.075 -15.449 388 HB2 GLN 49 HB2 GLN 49 -3.282 -2.815 -12.548 389 HB3 GLN 49 HB3 GLN 49 -2.217 -3.732 -13.606 390 HG2 GLN 49 HG2 GLN 49 -0.903 -2.062 -12.430 391 HG3 GLN 49 HG3 GLN 49 -0.984 -1.625 -14.135 392 HE21 GLN 49 HE21 GLN 49 -3.176 -1.076 -11.301 393 HE22 GLN 49 HE22 GLN 49 -3.331 0.592 -11.574 394 H GLY 50 H GLY 50 -5.999 -2.941 -14.239 395 HA2 GLY 50 HA2 GLY 50 -7.480 -4.609 -14.796 396 HA3 GLY 50 HA3 GLY 50 -6.483 -4.900 -16.219 397 H VAL 51 H VAL 51 -6.092 -7.031 -16.290 398 HA VAL 51 HA VAL 51 -5.893 -8.659 -13.952 399 HB VAL 51 HB VAL 51 -5.286 -10.485 -15.509 400 HG11 VAL 51 HG11 VAL 51 -7.405 -10.480 -16.753 401 HG12 VAL 51 HG12 VAL 51 -7.579 -8.749 -16.464 402 HG13 VAL 51 HG13 VAL 51 -7.646 -9.880 -15.112 403 HG21 VAL 51 HG21 VAL 51 -3.966 -9.502 -17.216 404 HG22 VAL 51 HG22 VAL 51 -5.096 -8.176 -17.464 405 HG23 VAL 51 HG23 VAL 51 -5.496 -9.793 -18.037 406 H ARG 52 H ARG 52 -4.273 -8.373 -12.578 407 HA ARG 52 HA ARG 52 -1.562 -8.838 -13.534 408 HB2 ARG 52 HB2 ARG 52 -1.792 -6.364 -13.545 409 HB3 ARG 52 HB3 ARG 52 -2.196 -6.408 -11.831 410 HG2 ARG 52 HG2 ARG 52 -0.021 -7.330 -11.273 411 HG3 ARG 52 HG3 ARG 52 0.382 -7.518 -12.979 412 HD2 ARG 52 HD2 ARG 52 -0.204 -4.854 -11.662 413 HD3 ARG 52 HD3 ARG 52 1.417 -5.492 -11.912 414 HE ARG 52 HE ARG 52 0.058 -5.533 -14.386 415 HH11 ARG 52 HH11 ARG 52 1.345 -3.186 -12.111 416 HH12 ARG 52 HH12 ARG 52 1.619 -1.978 -13.321 417 HH21 ARG 52 HH21 ARG 52 0.428 -3.927 -15.935 418 HH22 ARG 52 HH22 ARG 52 1.102 -2.398 -15.475 419 H GLU 53 H GLU 53 -0.270 -9.817 -12.115 420 HA GLU 53 HA GLU 53 -1.404 -11.409 -10.057 421 HB2 GLU 53 HB2 GLU 53 0.607 -11.998 -11.451 422 HB3 GLU 53 HB3 GLU 53 1.534 -10.832 -10.507 423 HG2 GLU 53 HG2 GLU 53 1.027 -12.068 -8.446 424 HG3 GLU 53 HG3 GLU 53 0.042 -13.205 -9.363 425 H THR 54 H THR 54 -1.320 -11.264 -7.792 426 HA THR 54 HA THR 54 0.083 -8.921 -6.700 427 HB THR 54 HB THR 54 -2.264 -8.192 -7.143 428 HG1 THR 54 HG1 THR 54 -2.280 -7.076 -5.322 429 HG21 THR 54 HG21 THR 54 -3.718 -9.202 -5.026 430 HG22 THR 54 HG22 THR 54 -2.890 -10.646 -5.605 431 HG23 THR 54 HG23 THR 54 -3.902 -9.705 -6.704 432 H TRP 55 H TRP 55 0.655 -8.955 -4.567 433 HA TRP 55 HA TRP 55 0.424 -11.531 -3.154 434 HB2 TRP 55 HB2 TRP 55 2.707 -9.568 -3.359 435 HB3 TRP 55 HB3 TRP 55 2.596 -10.706 -2.024 436 HD1 TRP 55 HD1 TRP 55 2.097 -11.122 -5.872 437 HE1 TRP 55 HE1 TRP 55 3.473 -13.174 -6.618 438 HE3 TRP 55 HE3 TRP 55 4.201 -12.468 -1.410 439 HZ2 TRP 55 HZ2 TRP 55 5.233 -15.108 -5.491 440 HZ3 TRP 55 HZ3 TRP 55 5.730 -14.417 -1.283 441 HH2 TRP 55 HH2 TRP 55 6.248 -15.736 -3.317 442 H LYS 56 H LYS 56 -0.542 -11.457 -1.214 443 HA LYS 56 HA LYS 56 -1.412 -8.903 -0.151 444 HB2 LYS 56 HB2 LYS 56 -3.012 -10.808 -0.217 445 HB3 LYS 56 HB3 LYS 56 -1.976 -11.691 0.900 446 HG2 LYS 56 HG2 LYS 56 -2.334 -10.045 2.656 447 HG3 LYS 56 HG3 LYS 56 -3.191 -8.977 1.559 448 HD2 LYS 56 HD2 LYS 56 -4.873 -10.111 2.832 449 HD3 LYS 56 HD3 LYS 56 -4.883 -10.864 1.240 450 HE2 LYS 56 HE2 LYS 56 -3.524 -12.723 2.067 451 HE3 LYS 56 HE3 LYS 56 -3.384 -11.954 3.646 452 HZ1 LYS 56 HZ1 LYS 56 -5.666 -13.315 2.430 453 HZ2 LYS 56 HZ2 LYS 56 -5.997 -11.982 3.432 454 HZ3 LYS 56 HZ3 LYS 56 -5.139 -13.316 4.041 455 H ILE 57 H ILE 57 -0.603 -7.939 1.509 456 HA ILE 57 HA ILE 57 1.452 -9.252 3.156 457 HB ILE 57 HB ILE 57 1.224 -6.256 2.664 458 HG12 ILE 57 HG12 ILE 57 3.664 -7.126 1.495 459 HG13 ILE 57 HG13 ILE 57 2.540 -8.384 1.015 460 HG21 ILE 57 HG21 ILE 57 3.305 -7.977 4.038 461 HG22 ILE 57 HG22 ILE 57 2.254 -6.772 4.781 462 HG23 ILE 57 HG23 ILE 57 3.526 -6.266 3.670 463 HD11 ILE 57 HD11 ILE 57 0.997 -6.333 0.363 464 HD12 ILE 57 HD12 ILE 57 2.291 -6.859 -0.714 465 HD13 ILE 57 HD13 ILE 57 2.533 -5.465 0.336 466 H LYS 58 H LYS 58 0.357 -9.931 4.845 467 HA LYS 58 HA LYS 58 -1.828 -8.393 5.968 468 HB2 LYS 58 HB2 LYS 58 -1.903 -10.888 5.633 469 HB3 LYS 58 HB3 LYS 58 -0.701 -11.029 6.913 470 HG2 LYS 58 HG2 LYS 58 -2.227 -9.802 8.467 471 HG3 LYS 58 HG3 LYS 58 -3.451 -9.766 7.199 472 HD2 LYS 58 HD2 LYS 58 -2.235 -12.343 8.225 473 HD3 LYS 58 HD3 LYS 58 -3.700 -11.639 8.910 474 HE2 LYS 58 HE2 LYS 58 -4.752 -11.699 6.646 475 HE3 LYS 58 HE3 LYS 58 -3.307 -12.493 6.022 476 HZ1 LYS 58 HZ1 LYS 58 -3.733 -14.163 7.905 477 HZ2 LYS 58 HZ2 LYS 58 -4.708 -14.245 6.516 478 HZ3 LYS 58 HZ3 LYS 58 -5.302 -13.522 7.935 479 H THR 59 H THR 59 -1.738 -7.174 7.729 480 HA THR 59 HA THR 59 0.560 -7.430 9.582 481 HB THR 59 HB THR 59 0.824 -5.053 9.794 482 HG1 THR 59 HG1 THR 59 -0.838 -3.866 9.433 483 HG21 THR 59 HG21 THR 59 0.535 -5.236 6.825 484 HG22 THR 59 HG22 THR 59 1.688 -6.318 7.619 485 HG23 THR 59 HG23 THR 59 1.856 -4.570 7.786 486 H PHE 60 H PHE 60 0.171 -6.426 11.672 487 HA PHE 60 HA PHE 60 -2.136 -7.467 12.853 488 HB2 PHE 60 HB2 PHE 60 0.034 -7.046 14.024 489 HB3 PHE 60 HB3 PHE 60 -0.322 -5.322 13.991 490 HD1 PHE 60 HD1 PHE 60 -1.501 -8.614 15.266 491 HD2 PHE 60 HD2 PHE 60 -1.866 -4.343 15.547 492 HE1 PHE 60 HE1 PHE 60 -2.873 -8.867 17.316 493 HE2 PHE 60 HE2 PHE 60 -3.238 -4.596 17.598 494 HZ PHE 60 HZ PHE 60 -3.741 -6.858 18.483 495 H GLN 61 H GLN 61 -1.384 -4.190 11.751 496 HA GLN 61 HA GLN 61 -3.859 -3.120 12.840 497 HB2 GLN 61 HB2 GLN 61 -1.686 -1.828 11.182 498 HB3 GLN 61 HB3 GLN 61 -3.071 -0.978 11.863 499 HG2 GLN 61 HG2 GLN 61 -2.361 -1.727 14.139 500 HG3 GLN 61 HG3 GLN 61 -0.929 -2.458 13.414 501 HE21 GLN 61 HE21 GLN 61 0.799 -1.108 13.928 502 HE22 GLN 61 HE22 GLN 61 0.790 0.585 13.741 503 H THR 62 H THR 62 -2.616 -4.141 9.693 504 HA THR 62 HA THR 62 -5.276 -4.145 8.590 505 HB THR 62 HB THR 62 -4.669 -1.719 8.424 506 HG1 THR 62 HG1 THR 62 -6.077 -2.155 6.919 507 HG21 THR 62 HG21 THR 62 -2.914 -2.003 6.113 508 HG22 THR 62 HG22 THR 62 -2.148 -2.655 7.556 509 HG23 THR 62 HG23 THR 62 -2.720 -0.989 7.535 510 H GLU 63 H GLU 63 -4.803 -4.229 5.907 511 HA GLU 63 HA GLU 63 -2.574 -5.954 5.282 512 HB2 GLU 63 HB2 GLU 63 -3.938 -7.821 4.432 513 HB3 GLU 63 HB3 GLU 63 -4.212 -7.591 6.160 514 HG2 GLU 63 HG2 GLU 63 -6.267 -6.262 5.616 515 HG3 GLU 63 HG3 GLU 63 -5.997 -6.612 3.912 516 H ILE 64 H ILE 64 -2.229 -6.147 2.999 517 HA ILE 64 HA ILE 64 -4.022 -4.774 1.167 518 HB ILE 64 HB ILE 64 -2.794 -2.967 2.275 519 HG12 ILE 64 HG12 ILE 64 -3.533 -2.804 -0.185 520 HG13 ILE 64 HG13 ILE 64 -2.265 -1.695 0.294 521 HG21 ILE 64 HG21 ILE 64 -0.729 -4.258 2.763 522 HG22 ILE 64 HG22 ILE 64 -0.424 -2.656 2.092 523 HG23 ILE 64 HG23 ILE 64 -0.260 -4.084 1.071 524 HD11 ILE 64 HD11 ILE 64 -1.026 -2.453 -1.429 525 HD12 ILE 64 HD12 ILE 64 -2.237 -3.668 -1.812 526 HD13 ILE 64 HD13 ILE 64 -0.942 -4.045 -0.681 527 H LYS 65 H LYS 65 -3.757 -5.415 -0.953 528 HA LYS 65 HA LYS 65 -1.506 -7.254 -1.477 529 HB2 LYS 65 HB2 LYS 65 -4.011 -7.403 -3.149 530 HB3 LYS 65 HB3 LYS 65 -2.804 -8.626 -2.771 531 HG2 LYS 65 HG2 LYS 65 -4.516 -9.416 -1.430 532 HG3 LYS 65 HG3 LYS 65 -3.728 -8.332 -0.293 533 HD2 LYS 65 HD2 LYS 65 -6.030 -7.773 -0.132 534 HD3 LYS 65 HD3 LYS 65 -5.343 -6.515 -1.157 535 HE2 LYS 65 HE2 LYS 65 -6.098 -7.704 -3.166 536 HE3 LYS 65 HE3 LYS 65 -6.739 -9.008 -2.169 537 HZ1 LYS 65 HZ1 LYS 65 -8.561 -7.640 -2.617 538 HZ2 LYS 65 HZ2 LYS 65 -7.678 -6.211 -2.355 539 HZ3 LYS 65 HZ3 LYS 65 -8.098 -7.207 -1.044 540 H CYS 66 H CYS 66 -0.079 -6.609 -2.901 541 HA CYS 66 HA CYS 66 -0.878 -4.740 -5.031 542 HB2 CYS 66 HB2 CYS 66 1.206 -3.469 -4.714 543 HB3 CYS 66 HB3 CYS 66 0.235 -3.440 -3.246 544 HG CYS 66 HG CYS 66 2.128 -5.750 -3.052 545 H THR 67 H THR 67 1.421 -4.503 -6.455 546 HA THR 67 HA THR 67 1.515 -6.755 -8.038 547 HB THR 67 HB THR 67 3.812 -4.815 -7.594 548 HG1 THR 67 HG1 THR 67 2.138 -3.593 -8.202 549 HG21 THR 67 HG21 THR 67 4.440 -5.401 -9.895 550 HG22 THR 67 HG22 THR 67 3.081 -6.522 -9.995 551 HG23 THR 67 HG23 THR 67 4.416 -6.851 -8.888 552 H GLY 68 H GLY 68 3.578 -6.012 -5.244 553 HA2 GLY 68 HA2 GLY 68 4.445 -7.620 -3.746 554 HA3 GLY 68 HA3 GLY 68 4.176 -8.859 -4.957 555 H ASN 69 H ASN 69 5.613 -6.663 -6.811 556 HA ASN 69 HA ASN 69 8.326 -7.696 -6.254 557 HB2 ASN 69 HB2 ASN 69 7.180 -6.591 -8.823 558 HB3 ASN 69 HB3 ASN 69 8.823 -7.201 -8.610 559 HD21 ASN 69 HD21 ASN 69 8.685 -9.558 -7.390 560 HD22 ASN 69 HD22 ASN 69 7.609 -10.634 -8.143 561 H HIS 70 H HIS 70 6.448 -4.810 -6.273 562 HA HIS 70 HA HIS 70 8.699 -3.019 -6.622 563 HB2 HIS 70 HB2 HIS 70 6.326 -2.524 -7.392 564 HB3 HIS 70 HB3 HIS 70 5.921 -2.279 -5.691 565 HD2 HIS 70 HD2 HIS 70 6.298 0.349 -4.953 566 HE1 HIS 70 HE1 HIS 70 9.244 1.370 -7.798 567 HE2 HIS 70 HE2 HIS 70 7.827 2.248 -5.889 568 H LEU 71 H LEU 71 9.637 -1.719 -5.044 569 HA LEU 71 HA LEU 71 9.773 -2.829 -2.395 570 HB2 LEU 71 HB2 LEU 71 10.985 -0.363 -3.645 571 HB3 LEU 71 HB3 LEU 71 11.222 -0.798 -1.955 572 HG LEU 71 HG LEU 71 11.986 -3.102 -2.833 573 HD11 LEU 71 HD11 LEU 71 11.292 -3.108 -5.091 574 HD12 LEU 71 HD12 LEU 71 13.029 -2.841 -5.189 575 HD13 LEU 71 HD13 LEU 71 11.918 -1.486 -5.383 576 HD21 LEU 71 HD21 LEU 71 13.575 -0.568 -3.351 577 HD22 LEU 71 HD22 LEU 71 14.285 -2.182 -3.381 578 HD23 LEU 71 HD23 LEU 71 13.589 -1.552 -1.888 579 H ILE 72 H ILE 72 9.008 -2.092 -0.506 580 HA ILE 72 HA ILE 72 7.273 0.292 -0.516 581 HB ILE 72 HB ILE 72 5.758 -0.843 1.080 582 HG12 ILE 72 HG12 ILE 72 7.247 -3.413 0.414 583 HG13 ILE 72 HG13 ILE 72 7.578 -2.486 1.876 584 HG21 ILE 72 HG21 ILE 72 4.574 -2.118 -0.538 585 HG22 ILE 72 HG22 ILE 72 6.053 -2.591 -1.370 586 HG23 ILE 72 HG23 ILE 72 5.475 -0.930 -1.476 587 HD11 ILE 72 HD11 ILE 72 5.979 -4.167 2.499 588 HD12 ILE 72 HD12 ILE 72 4.976 -3.826 1.089 589 HD13 ILE 72 HD13 ILE 72 5.088 -2.649 2.397 590 H ARG 73 H ARG 73 7.180 1.422 1.519 591 HA ARG 73 HA ARG 73 9.737 1.443 2.818 592 HB2 ARG 73 HB2 ARG 73 8.258 3.511 2.479 593 HB3 ARG 73 HB3 ARG 73 7.301 2.899 3.822 594 HG2 ARG 73 HG2 ARG 73 8.828 4.324 4.899 595 HG3 ARG 73 HG3 ARG 73 9.576 2.745 5.105 596 HD2 ARG 73 HD2 ARG 73 11.376 3.991 4.346 597 HD3 ARG 73 HD3 ARG 73 10.776 3.346 2.828 598 HE ARG 73 HE ARG 73 9.408 5.709 3.118 599 HH11 ARG 73 HH11 ARG 73 12.821 4.877 3.139 600 HH12 ARG 73 HH12 ARG 73 13.322 6.409 2.506 601 HH21 ARG 73 HH21 ARG 73 10.104 7.691 2.287 602 HH22 ARG 73 HH22 ARG 73 11.790 7.987 2.032 603 H THR 74 H THR 74 10.400 0.637 4.665 604 HA THR 74 HA THR 74 8.460 -0.466 6.576 605 HB THR 74 HB THR 74 9.880 -2.412 6.998 606 HG1 THR 74 HG1 THR 74 11.443 -1.838 4.743 607 HG21 THR 74 HG21 THR 74 9.691 -3.506 4.667 608 HG22 THR 74 HG22 THR 74 9.007 -1.968 4.144 609 HG23 THR 74 HG23 THR 74 8.207 -2.905 5.406 610 H ASP 75 H ASP 75 9.815 -1.026 8.682 611 HA ASP 75 HA ASP 75 10.737 1.402 9.732 612 HB2 ASP 75 HB2 ASP 75 9.917 -0.490 11.103 613 HB3 ASP 75 HB3 ASP 75 11.377 -1.393 10.706 614 H LYS 76 H LYS 76 12.488 -1.329 8.326 615 HA LYS 76 HA LYS 76 15.097 -0.215 8.830 616 HB2 LYS 76 HB2 LYS 76 14.405 -2.707 8.576 617 HB3 LYS 76 HB3 LYS 76 14.527 -2.406 6.846 618 HG2 LYS 76 HG2 LYS 76 16.853 -1.721 7.067 619 HG3 LYS 76 HG3 LYS 76 16.758 -1.829 8.824 620 HD2 LYS 76 HD2 LYS 76 16.240 -4.211 7.027 621 HD3 LYS 76 HD3 LYS 76 17.846 -3.825 7.641 622 HE2 LYS 76 HE2 LYS 76 15.396 -4.330 9.378 623 HE3 LYS 76 HE3 LYS 76 16.690 -5.486 9.087 624 HZ1 LYS 76 HZ1 LYS 76 17.444 -4.537 10.989 625 HZ2 LYS 76 HZ2 LYS 76 16.712 -3.034 10.681 626 HZ3 LYS 76 HZ3 LYS 76 18.147 -3.466 9.879 627 H GLY 77 H GLY 77 12.697 0.223 6.370 628 HA2 GLY 77 HA2 GLY 77 13.214 2.275 4.962 629 HA3 GLY 77 HA3 GLY 77 14.684 1.418 4.516 630 H TRP 78 H TRP 78 13.685 1.870 2.289 631 HA TRP 78 HA TRP 78 11.361 0.514 1.371 632 HB2 TRP 78 HB2 TRP 78 13.847 1.350 -0.146 633 HB3 TRP 78 HB3 TRP 78 12.351 0.795 -0.893 634 HD1 TRP 78 HD1 TRP 78 14.040 3.842 0.229 635 HE1 TRP 78 HE1 TRP 78 12.403 5.831 0.303 636 HE3 TRP 78 HE3 TRP 78 9.604 1.349 -0.170 637 HZ2 TRP 78 HZ2 TRP 78 9.587 6.303 0.217 638 HZ3 TRP 78 HZ3 TRP 78 7.457 2.594 -0.165 639 HH2 TRP 78 HH2 TRP 78 7.445 5.066 0.028 640 H ILE 79 H ILE 79 10.991 -1.544 0.971 641 HA ILE 79 HA ILE 79 13.209 -3.370 0.353 642 HB ILE 79 HB ILE 79 11.157 -3.935 2.536 643 HG12 ILE 79 HG12 ILE 79 14.184 -3.650 2.786 644 HG13 ILE 79 HG13 ILE 79 13.070 -2.323 3.111 645 HG21 ILE 79 HG21 ILE 79 11.788 -5.958 1.233 646 HG22 ILE 79 HG22 ILE 79 12.439 -6.035 2.869 647 HG23 ILE 79 HG23 ILE 79 13.494 -5.611 1.521 648 HD11 ILE 79 HD11 ILE 79 13.416 -4.898 4.629 649 HD12 ILE 79 HD12 ILE 79 11.899 -4.003 4.732 650 HD13 ILE 79 HD13 ILE 79 13.407 -3.247 5.243 651 H LYS 80 H LYS 80 12.699 -4.979 -1.079 652 HA LYS 80 HA LYS 80 10.469 -4.755 -2.769 653 HB2 LYS 80 HB2 LYS 80 12.613 -5.969 -3.285 654 HB3 LYS 80 HB3 LYS 80 12.056 -7.283 -2.251 655 HG2 LYS 80 HG2 LYS 80 10.043 -7.554 -3.663 656 HG3 LYS 80 HG3 LYS 80 10.592 -6.238 -4.698 657 HD2 LYS 80 HD2 LYS 80 12.256 -8.723 -4.212 658 HD3 LYS 80 HD3 LYS 80 11.106 -8.597 -5.542 659 HE2 LYS 80 HE2 LYS 80 13.423 -6.688 -5.067 660 HE3 LYS 80 HE3 LYS 80 13.414 -7.994 -6.250 661 HZ1 LYS 80 HZ1 LYS 80 12.734 -6.212 -7.503 662 HZ2 LYS 80 HZ2 LYS 80 11.865 -5.495 -6.231 663 HZ3 LYS 80 HZ3 LYS 80 11.239 -6.858 -7.030 664 H ALA 81 H ALA 81 8.414 -5.547 -2.707 665 HA ALA 81 HA ALA 81 7.235 -6.263 -0.279 666 HB1 ALA 81 HB1 ALA 81 5.380 -7.199 -1.920 667 HB2 ALA 81 HB2 ALA 81 6.360 -6.371 -3.132 668 HB3 ALA 81 HB3 ALA 81 5.682 -5.468 -1.778 669 H ALA 82 H ALA 82 8.414 -8.310 -2.905 670 HA ALA 82 HA ALA 82 7.504 -10.798 -1.925 671 HB1 ALA 82 HB1 ALA 82 8.661 -10.089 -4.216 672 HB2 ALA 82 HB2 ALA 82 8.746 -11.743 -3.612 673 HB3 ALA 82 HB3 ALA 82 10.107 -10.647 -3.373 674 H ASN 83 H ASN 83 10.385 -8.873 -1.256 675 HA ASN 83 HA ASN 83 11.771 -10.856 0.266 676 HB2 ASN 83 HB2 ASN 83 12.770 -8.811 -0.895 677 HB3 ASN 83 HB3 ASN 83 12.188 -7.886 0.495 678 HD21 ASN 83 HD21 ASN 83 14.235 -7.441 1.469 679 HD22 ASN 83 HD22 ASN 83 15.253 -8.660 2.069 680 H ILE 84 H ILE 84 9.349 -8.443 1.075 681 HA ILE 84 HA ILE 84 9.795 -8.065 3.786 682 HB ILE 84 HB ILE 84 7.103 -8.312 2.407 683 HG12 ILE 84 HG12 ILE 84 8.523 -6.607 1.328 684 HG13 ILE 84 HG13 ILE 84 7.210 -5.835 2.190 685 HG21 ILE 84 HG21 ILE 84 6.972 -8.420 4.900 686 HG22 ILE 84 HG22 ILE 84 6.179 -6.994 4.229 687 HG23 ILE 84 HG23 ILE 84 7.767 -6.846 4.979 688 HD11 ILE 84 HD11 ILE 84 9.154 -4.536 2.717 689 HD12 ILE 84 HD12 ILE 84 10.137 -5.973 2.993 690 HD13 ILE 84 HD13 ILE 84 8.875 -5.534 4.144 691 H THR 85 H THR 85 9.514 -9.174 5.599 692 HA THR 85 HA THR 85 8.324 -11.880 5.474 693 HB THR 85 HB THR 85 10.778 -12.066 5.628 694 HG1 THR 85 HG1 THR 85 9.935 -13.646 6.775 695 HG21 THR 85 HG21 THR 85 11.747 -11.216 7.921 696 HG22 THR 85 HG22 THR 85 10.415 -10.064 7.842 697 HG23 THR 85 HG23 THR 85 11.620 -10.114 6.553 698 HA PRO 86 HA PRO 86 5.382 -10.841 8.649 699 HB2 PRO 86 HB2 PRO 86 6.774 -12.882 10.344 700 HB3 PRO 86 HB3 PRO 86 5.035 -12.616 10.101 701 HG2 PRO 86 HG2 PRO 86 6.344 -14.564 8.840 702 HG3 PRO 86 HG3 PRO 86 5.010 -13.689 8.081 703 HD2 PRO 86 HD2 PRO 86 7.870 -13.620 7.415 704 HD3 PRO 86 HD3 PRO 86 6.465 -13.085 6.458 705 H LYS 87 H LYS 87 8.766 -11.228 9.645 706 HA LYS 87 HA LYS 87 8.692 -9.891 12.122 707 HB2 LYS 87 HB2 LYS 87 10.598 -11.292 11.304 708 HB3 LYS 87 HB3 LYS 87 11.024 -9.995 10.187 709 HG2 LYS 87 HG2 LYS 87 11.300 -8.447 12.114 710 HG3 LYS 87 HG3 LYS 87 10.918 -9.766 13.216 711 HD2 LYS 87 HD2 LYS 87 13.290 -9.705 13.184 712 HD3 LYS 87 HD3 LYS 87 12.873 -11.035 12.104 713 HE2 LYS 87 HE2 LYS 87 14.563 -9.689 11.003 714 HE3 LYS 87 HE3 LYS 87 13.036 -9.418 10.169 715 HZ1 LYS 87 HZ1 LYS 87 13.002 -7.525 12.108 716 HZ2 LYS 87 HZ2 LYS 87 13.487 -7.272 10.501 717 HZ3 LYS 87 HZ3 LYS 87 14.646 -7.588 11.701 718 H MET 88 H MET 88 9.184 -8.655 8.840 719 HA MET 88 HA MET 88 10.029 -6.085 9.372 720 HB2 MET 88 HB2 MET 88 8.715 -7.437 7.098 721 HB3 MET 88 HB3 MET 88 8.381 -5.713 7.158 722 HG2 MET 88 HG2 MET 88 10.381 -6.091 5.812 723 HG3 MET 88 HG3 MET 88 10.839 -5.276 7.301 724 HE1 MET 88 HE1 MET 88 12.455 -6.645 5.253 725 HE2 MET 88 HE2 MET 88 12.051 -8.348 5.078 726 HE3 MET 88 HE3 MET 88 13.526 -7.887 5.921 727 H LYS 89 H LYS 89 9.152 -4.183 9.918 728 HA LYS 89 HA LYS 89 6.250 -4.080 10.475 729 HB2 LYS 89 HB2 LYS 89 8.464 -2.856 12.138 730 HB3 LYS 89 HB3 LYS 89 6.737 -2.607 12.400 731 HG2 LYS 89 HG2 LYS 89 6.512 -5.129 12.621 732 HG3 LYS 89 HG3 LYS 89 8.270 -5.214 12.630 733 HD2 LYS 89 HD2 LYS 89 6.665 -3.539 14.591 734 HD3 LYS 89 HD3 LYS 89 7.222 -5.174 14.935 735 HE2 LYS 89 HE2 LYS 89 9.017 -2.833 14.224 736 HE3 LYS 89 HE3 LYS 89 8.768 -3.466 15.851 737 HZ1 LYS 89 HZ1 LYS 89 9.481 -5.686 14.813 738 HZ2 LYS 89 HZ2 LYS 89 10.682 -4.532 15.146 739 HZ3 LYS 89 HZ3 LYS 89 10.117 -4.742 13.558 740 H ILE 90 H ILE 90 5.200 -2.231 9.878 741 HA ILE 90 HA ILE 90 6.834 -0.140 8.552 742 HB ILE 90 HB ILE 90 4.151 -1.126 7.526 743 HG12 ILE 90 HG12 ILE 90 5.811 -1.907 5.558 744 HG13 ILE 90 HG13 ILE 90 6.998 -1.938 6.855 745 HG21 ILE 90 HG21 ILE 90 6.166 0.931 6.608 746 HG22 ILE 90 HG22 ILE 90 4.423 1.099 6.801 747 HG23 ILE 90 HG23 ILE 90 5.074 0.171 5.453 748 HD11 ILE 90 HD11 ILE 90 5.924 -3.669 7.984 749 HD12 ILE 90 HD12 ILE 90 5.588 -4.091 6.308 750 HD13 ILE 90 HD13 ILE 90 4.347 -3.303 7.278 751 H LEU 91 H LEU 91 6.450 1.881 9.128 752 HA LEU 91 HA LEU 91 4.613 2.513 11.217 753 HB2 LEU 91 HB2 LEU 91 5.337 4.846 10.867 754 HB3 LEU 91 HB3 LEU 91 6.696 3.737 10.986 755 HG LEU 91 HG LEU 91 6.326 3.686 8.259 756 HD11 LEU 91 HD11 LEU 91 5.624 5.735 7.358 757 HD12 LEU 91 HD12 LEU 91 5.815 6.596 8.886 758 HD13 LEU 91 HD13 LEU 91 4.475 5.480 8.668 759 HD21 LEU 91 HD21 LEU 91 7.872 5.953 9.555 760 HD22 LEU 91 HD22 LEU 91 8.274 5.063 8.086 761 HD23 LEU 91 HD23 LEU 91 8.411 4.277 9.658 762 H SER 92 H SER 92 2.578 3.227 11.149 763 HA SER 92 HA SER 92 1.419 3.887 8.512 764 HB2 SER 92 HB2 SER 92 0.143 2.374 10.813 765 HB3 SER 92 HB3 SER 92 -0.722 2.929 9.381 766 HG SER 92 HG SER 92 1.102 0.874 9.722 767 HA PRO 93 HA PRO 93 0.351 7.797 10.497 768 HB2 PRO 93 HB2 PRO 93 -1.518 8.760 8.797 769 HB3 PRO 93 HB3 PRO 93 0.202 8.666 8.360 770 HG2 PRO 93 HG2 PRO 93 -2.022 6.804 7.651 771 HG3 PRO 93 HG3 PRO 93 -0.743 7.467 6.617 772 HD2 PRO 93 HD2 PRO 93 -0.588 4.966 7.644 773 HD3 PRO 93 HD3 PRO 93 0.860 5.972 7.388 774 H GLU 94 H GLU 94 -1.196 8.683 11.842 775 HA GLU 94 HA GLU 94 -3.716 7.183 12.210 776 HB2 GLU 94 HB2 GLU 94 -1.978 8.407 14.370 777 HB3 GLU 94 HB3 GLU 94 -3.540 7.631 14.630 778 HG2 GLU 94 HG2 GLU 94 -2.624 5.519 13.688 779 HG3 GLU 94 HG3 GLU 94 -1.055 6.301 13.506 780 H ILE 95 H ILE 95 -5.514 8.351 12.218 781 HA ILE 95 HA ILE 95 -5.292 11.223 11.794 782 HB ILE 95 HB ILE 95 -7.735 9.431 11.602 783 HG12 ILE 95 HG12 ILE 95 -6.017 8.753 9.937 784 HG13 ILE 95 HG13 ILE 95 -7.379 9.515 9.128 785 HG21 ILE 95 HG21 ILE 95 -8.807 11.252 10.424 786 HG22 ILE 95 HG22 ILE 95 -7.326 12.207 10.454 787 HG23 ILE 95 HG23 ILE 95 -8.189 11.877 11.955 788 HD11 ILE 95 HD11 ILE 95 -5.272 10.354 8.166 789 HD12 ILE 95 HD12 ILE 95 -4.701 10.830 9.765 790 HD13 ILE 95 HD13 ILE 95 -6.075 11.663 9.037 791 H ASP 96 H ASP 96 -5.538 12.615 13.342 792 HA ASP 96 HA ASP 96 -7.599 12.511 15.303 793 HB2 ASP 96 HB2 ASP 96 -6.096 12.423 17.311 794 HB3 ASP 96 HB3 ASP 96 -6.105 10.919 16.403 795 H ALA 97 H ALA 97 -6.282 14.327 17.192 796 HA ALA 97 HA ALA 97 -6.660 16.797 15.900 797 HB1 ALA 97 HB1 ALA 97 -5.229 17.629 17.936 798 HB2 ALA 97 HB2 ALA 97 -5.375 15.958 18.480 799 HB3 ALA 97 HB3 ALA 97 -6.824 16.931 18.222 800 H ALA 98 H ALA 98 -3.765 14.866 16.508 801 HA ALA 98 HA ALA 98 -2.346 16.387 14.440 802 HB1 ALA 98 HB1 ALA 98 -0.974 15.493 16.979 803 HB2 ALA 98 HB2 ALA 98 -1.617 17.122 16.774 804 HB3 ALA 98 HB3 ALA 98 -0.336 16.539 15.711 805 H VAL 99 H VAL 99 -1.431 15.053 12.976 806 HA VAL 99 HA VAL 99 -1.976 12.325 12.900 807 HB VAL 99 HB VAL 99 -0.310 12.186 11.073 808 HG11 VAL 99 HG11 VAL 99 -2.069 14.654 11.056 809 HG12 VAL 99 HG12 VAL 99 -2.543 13.024 10.577 810 HG13 VAL 99 HG13 VAL 99 -1.358 13.915 9.621 811 HG21 VAL 99 HG21 VAL 99 0.333 15.049 11.886 812 HG22 VAL 99 HG22 VAL 99 0.918 14.259 10.422 813 HG23 VAL 99 HG23 VAL 99 1.426 13.670 12.004 814 H LYS 100 H LYS 100 -1.051 10.528 13.595 815 HA LYS 100 HA LYS 100 1.590 10.697 14.938 816 HB2 LYS 100 HB2 LYS 100 -0.893 9.292 15.933 817 HB3 LYS 100 HB3 LYS 100 0.715 9.024 16.607 818 HG2 LYS 100 HG2 LYS 100 -0.566 11.765 16.419 819 HG3 LYS 100 HG3 LYS 100 -0.721 10.732 17.840 820 HD2 LYS 100 HD2 LYS 100 1.807 10.632 17.937 821 HD3 LYS 100 HD3 LYS 100 1.841 11.858 16.670 822 HE2 LYS 100 HE2 LYS 100 0.436 12.194 19.332 823 HE3 LYS 100 HE3 LYS 100 2.038 12.828 18.962 824 HZ1 LYS 100 HZ1 LYS 100 0.692 14.599 18.465 825 HZ2 LYS 100 HZ2 LYS 100 -0.573 13.630 17.876 826 HZ3 LYS 100 HZ3 LYS 100 0.828 13.863 16.944 827 H THR 101 H THR 101 2.887 8.845 14.877 828 HA THR 101 HA THR 101 2.225 6.999 12.682 829 HB THR 101 HB THR 101 4.652 6.471 12.709 830 HG1 THR 101 HG1 THR 101 4.647 8.467 14.716 831 HG21 THR 101 HG21 THR 101 3.657 9.282 12.313 832 HG22 THR 101 HG22 THR 101 4.189 8.089 11.125 833 HG23 THR 101 HG23 THR 101 5.374 8.920 12.126 834 H ALA 102 H ALA 102 2.326 4.809 12.895 835 HA ALA 102 HA ALA 102 3.039 3.586 15.446 836 HB1 ALA 102 HB1 ALA 102 0.964 2.636 15.940 837 HB2 ALA 102 HB2 ALA 102 0.337 2.921 14.317 838 HB3 ALA 102 HB3 ALA 102 0.533 4.270 15.436 839 H LEU 103 H LEU 103 4.245 1.872 14.975 840 HA LEU 103 HA LEU 103 4.388 0.781 12.322 841 HB2 LEU 103 HB2 LEU 103 5.701 0.085 14.947 842 HB3 LEU 103 HB3 LEU 103 5.884 -0.943 13.533 843 HG LEU 103 HG LEU 103 6.655 1.114 12.255 844 HD11 LEU 103 HD11 LEU 103 7.597 2.934 13.806 845 HD12 LEU 103 HD12 LEU 103 6.571 2.244 15.063 846 HD13 LEU 103 HD13 LEU 103 5.845 2.914 13.603 847 HD21 LEU 103 HD21 LEU 103 8.929 1.125 13.462 848 HD22 LEU 103 HD22 LEU 103 8.330 -0.448 12.937 849 HD23 LEU 103 HD23 LEU 103 8.193 0.028 14.629 850 H GLN 104 H GLN 104 3.699 -1.146 11.540 851 HA GLN 104 HA GLN 104 1.885 -2.709 13.273 852 HB2 GLN 104 HB2 GLN 104 0.496 -3.184 11.329 853 HB3 GLN 104 HB3 GLN 104 0.680 -1.444 11.487 854 HG2 GLN 104 HG2 GLN 104 2.634 -1.663 9.818 855 HG3 GLN 104 HG3 GLN 104 2.021 -3.288 9.512 856 HE21 GLN 104 HE21 GLN 104 2.006 -0.647 7.849 857 HE22 GLN 104 HE22 GLN 104 0.393 -0.537 7.331 858 H ASP 105 H ASP 105 2.118 -4.871 13.318 859 HA ASP 105 HA ASP 105 4.623 -5.938 12.292 860 HB2 ASP 105 HB2 ASP 105 3.999 -6.266 14.661 861 HB3 ASP 105 HB3 ASP 105 2.595 -7.198 14.145 862 H VAL 106 H VAL 106 4.770 -7.054 10.459 863 HA VAL 106 HA VAL 106 2.478 -7.837 8.966 864 HB VAL 106 HB VAL 106 5.386 -8.693 8.665 865 HG11 VAL 106 HG11 VAL 106 4.819 -9.369 6.417 866 HG12 VAL 106 HG12 VAL 106 3.178 -8.746 6.583 867 HG13 VAL 106 HG13 VAL 106 3.679 -10.162 7.504 868 HG21 VAL 106 HG21 VAL 106 4.805 -6.192 8.525 869 HG22 VAL 106 HG22 VAL 106 3.877 -6.591 7.080 870 HG23 VAL 106 HG23 VAL 106 5.617 -6.878 7.118 871 H GLU 107 H GLU 107 1.155 -9.499 9.460 872 HA GLU 107 HA GLU 107 1.890 -11.620 11.252 873 HB2 GLU 107 HB2 GLU 107 -0.457 -10.775 10.967 874 HB3 GLU 107 HB3 GLU 107 -0.471 -11.476 9.347 875 HG2 GLU 107 HG2 GLU 107 -1.530 -13.039 10.891 876 HG3 GLU 107 HG3 GLU 107 0.011 -13.717 10.364 877 H SER 108 H SER 108 1.371 -11.322 7.766 878 HA SER 108 HA SER 108 3.449 -12.980 6.949 879 HB2 SER 108 HB2 SER 108 0.839 -14.396 7.327 880 HB3 SER 108 HB3 SER 108 1.885 -14.847 5.988 881 HG SER 108 HG SER 108 3.037 -15.890 7.395 882 H ILE 109 H ILE 109 3.213 -13.610 4.596 883 HA ILE 109 HA ILE 109 1.527 -11.634 3.175 884 HB ILE 109 HB ILE 109 4.298 -12.665 2.418 885 HG12 ILE 109 HG12 ILE 109 3.444 -9.819 3.036 886 HG13 ILE 109 HG13 ILE 109 4.060 -10.902 4.287 887 HG21 ILE 109 HG21 ILE 109 2.609 -12.156 0.487 888 HG22 ILE 109 HG22 ILE 109 4.191 -11.389 0.421 889 HG23 ILE 109 HG23 ILE 109 2.794 -10.469 0.966 890 HD11 ILE 109 HD11 ILE 109 5.989 -9.746 3.569 891 HD12 ILE 109 HD12 ILE 109 5.496 -9.787 1.878 892 HD13 ILE 109 HD13 ILE 109 6.074 -11.256 2.662 893 H GLU 110 H GLU 110 0.031 -12.547 1.782 894 HA GLU 110 HA GLU 110 0.566 -15.333 0.848 895 HB2 GLU 110 HB2 GLU 110 -2.104 -14.242 1.765 896 HB3 GLU 110 HB3 GLU 110 -1.840 -15.837 1.059 897 HG2 GLU 110 HG2 GLU 110 -0.263 -16.371 2.905 898 HG3 GLU 110 HG3 GLU 110 -0.601 -14.800 3.628 899 H LYS 111 H LYS 111 0.524 -15.632 -1.258 900 HA LYS 111 HA LYS 111 -0.165 -13.458 -2.987 901 HB2 LYS 111 HB2 LYS 111 0.579 -14.903 -4.816 902 HB3 LYS 111 HB3 LYS 111 1.749 -14.896 -3.497 903 HG2 LYS 111 HG2 LYS 111 0.703 -17.010 -2.645 904 HG3 LYS 111 HG3 LYS 111 -0.303 -17.047 -4.089 905 HD2 LYS 111 HD2 LYS 111 1.542 -18.424 -4.662 906 HD3 LYS 111 HD3 LYS 111 1.913 -16.877 -5.425 907 HE2 LYS 111 HE2 LYS 111 3.352 -16.264 -3.535 908 HE3 LYS 111 HE3 LYS 111 2.957 -17.778 -2.724 909 HZ1 LYS 111 HZ1 LYS 111 4.030 -17.864 -5.456 910 HZ2 LYS 111 HZ2 LYS 111 4.166 -19.004 -4.204 911 HZ3 LYS 111 HZ3 LYS 111 5.097 -17.583 -4.169 912 H LEU 112 H LEU 112 -1.903 -13.067 -4.102 913 HA LEU 112 HA LEU 112 -4.155 -14.981 -4.001 914 HB2 LEU 112 HB2 LEU 112 -4.003 -11.981 -4.198 915 HB3 LEU 112 HB3 LEU 112 -5.428 -12.825 -4.800 916 HG LEU 112 HG LEU 112 -5.536 -13.986 -2.517 917 HD11 LEU 112 HD11 LEU 112 -3.353 -13.596 -1.641 918 HD12 LEU 112 HD12 LEU 112 -4.426 -12.572 -0.686 919 HD13 LEU 112 HD13 LEU 112 -3.448 -11.868 -1.976 920 HD21 LEU 112 HD21 LEU 112 -6.495 -11.899 -1.414 921 HD22 LEU 112 HD22 LEU 112 -7.125 -12.247 -3.024 922 HD23 LEU 112 HD23 LEU 112 -5.906 -10.990 -2.807 923 H GLY 113 H GLY 113 -1.800 -13.716 -6.127 924 HA2 GLY 113 HA2 GLY 113 -1.399 -14.274 -8.332 925 HA3 GLY 113 HA3 GLY 113 -2.952 -15.077 -8.384 926 H VAL 114 H VAL 114 -3.284 -14.129 -10.466 927 HA VAL 114 HA VAL 114 -3.315 -11.338 -10.886 928 HB VAL 114 HB VAL 114 -4.654 -11.857 -12.940 929 HG11 VAL 114 HG11 VAL 114 -2.220 -13.590 -12.511 930 HG12 VAL 114 HG12 VAL 114 -2.178 -11.850 -12.790 931 HG13 VAL 114 HG13 VAL 114 -2.796 -12.929 -14.046 932 HG21 VAL 114 HG21 VAL 114 -5.791 -13.896 -11.940 933 HG22 VAL 114 HG22 VAL 114 -4.251 -14.745 -12.076 934 HG23 VAL 114 HG23 VAL 114 -5.076 -14.177 -13.530 935 H ASN 115 H ASN 115 -4.809 -9.851 -10.866 936 HA ASN 115 HA ASN 115 -7.576 -10.387 -10.131 937 HB2 ASN 115 HB2 ASN 115 -5.517 -9.123 -8.358 938 HB3 ASN 115 HB3 ASN 115 -7.207 -8.618 -8.238 939 HD21 ASN 115 HD21 ASN 115 -5.779 -9.965 -6.103 940 HD22 ASN 115 HD22 ASN 115 -6.521 -11.478 -5.861 941 H HIS 116 H HIS 116 -8.615 -8.068 -9.748 942 HA HIS 116 HA HIS 116 -7.975 -6.410 -12.047 943 HB2 HIS 116 HB2 HIS 116 -9.946 -6.070 -9.759 944 HB3 HIS 116 HB3 HIS 116 -9.790 -4.946 -11.108 945 HD2 HIS 116 HD2 HIS 116 -11.034 -5.774 -13.475 946 HE1 HIS 116 HE1 HIS 116 -12.243 -9.583 -12.120 947 HE2 HIS 116 HE2 HIS 116 -12.427 -7.912 -14.023 948 H VAL 117 H VAL 117 -6.375 -4.942 -11.960 949 HA VAL 117 HA VAL 117 -5.541 -3.926 -9.302 950 HB VAL 117 HB VAL 117 -3.793 -4.704 -11.669 951 HG11 VAL 117 HG11 VAL 117 -3.028 -3.585 -8.950 952 HG12 VAL 117 HG12 VAL 117 -2.774 -2.797 -10.509 953 HG13 VAL 117 HG13 VAL 117 -1.901 -4.284 -10.116 954 HG21 VAL 117 HG21 VAL 117 -4.497 -6.682 -10.551 955 HG22 VAL 117 HG22 VAL 117 -4.370 -5.934 -8.963 956 HG23 VAL 117 HG23 VAL 117 -2.911 -6.341 -9.865 957 H TYR 118 H TYR 118 -5.516 -1.833 -9.013 958 HA TYR 118 HA TYR 118 -5.318 0.026 -11.292 959 HB2 TYR 118 HB2 TYR 118 -7.281 0.369 -8.985 960 HB3 TYR 118 HB3 TYR 118 -7.107 1.394 -10.401 961 HD1 TYR 118 HD1 TYR 118 -8.463 -1.734 -9.102 962 HD2 TYR 118 HD2 TYR 118 -7.829 0.578 -12.653 963 HE1 TYR 118 HE1 TYR 118 -10.079 -3.164 -10.301 964 HE2 TYR 118 HE2 TYR 118 -9.451 -0.851 -13.874 965 HH TYR 118 HH TYR 118 -10.557 -3.813 -12.659 966 H ASP 119 H ASP 119 -4.432 2.107 -10.699 967 HA ASP 119 HA ASP 119 -3.595 2.623 -7.988 968 HB2 ASP 119 HB2 ASP 119 -1.257 2.336 -8.196 969 HB3 ASP 119 HB3 ASP 119 -1.927 0.943 -9.035 970 H ILE 120 H ILE 120 -2.041 4.668 -8.001 971 HA ILE 120 HA ILE 120 -2.567 6.382 -10.297 972 HB ILE 120 HB ILE 120 -3.628 8.176 -9.204 973 HG12 ILE 120 HG12 ILE 120 -2.300 8.451 -7.177 974 HG13 ILE 120 HG13 ILE 120 -3.984 8.318 -6.703 975 HG21 ILE 120 HG21 ILE 120 -5.008 6.023 -9.440 976 HG22 ILE 120 HG22 ILE 120 -5.676 7.340 -8.478 977 HG23 ILE 120 HG23 ILE 120 -4.942 5.949 -7.681 978 HD11 ILE 120 HD11 ILE 120 -3.570 5.825 -6.303 979 HD12 ILE 120 HD12 ILE 120 -2.765 6.913 -5.174 980 HD13 ILE 120 HD13 ILE 120 -1.849 6.169 -6.486 981 H GLU 121 H GLU 121 -1.372 8.460 -10.208 982 HA GLU 121 HA GLU 121 1.266 8.059 -8.943 983 HB2 GLU 121 HB2 GLU 121 0.500 9.652 -11.409 984 HB3 GLU 121 HB3 GLU 121 2.130 9.529 -10.748 985 HG2 GLU 121 HG2 GLU 121 2.071 7.074 -11.090 986 HG3 GLU 121 HG3 GLU 121 0.448 7.208 -11.770 987 H VAL 122 H VAL 122 2.323 9.963 -8.017 988 HA VAL 122 HA VAL 122 0.389 12.078 -7.282 989 HB VAL 122 HB VAL 122 1.426 12.223 -5.086 990 HG11 VAL 122 HG11 VAL 122 0.584 10.053 -4.196 991 HG12 VAL 122 HG12 VAL 122 0.497 9.439 -5.845 992 HG13 VAL 122 HG13 VAL 122 -0.532 10.783 -5.350 993 HG21 VAL 122 HG21 VAL 122 3.654 11.306 -5.887 994 HG22 VAL 122 HG22 VAL 122 2.938 9.695 -5.796 995 HG23 VAL 122 HG23 VAL 122 3.098 10.681 -4.341 996 H GLU 123 H GLU 123 1.259 14.159 -6.665 997 HA GLU 123 HA GLU 123 3.315 14.938 -8.562 998 HB2 GLU 123 HB2 GLU 123 1.508 16.578 -6.798 999 HB3 GLU 123 HB3 GLU 123 2.648 17.252 -7.963 1000 HG2 GLU 123 HG2 GLU 123 1.549 15.973 -9.754 1001 HG3 GLU 123 HG3 GLU 123 0.378 15.349 -8.603 1002 H HIS 124 H HIS 124 2.919 15.460 -5.012 1003 HA HIS 124 HA HIS 124 5.254 17.051 -4.857 1004 HB2 HIS 124 HB2 HIS 124 3.279 17.169 -3.313 1005 HB3 HIS 124 HB3 HIS 124 3.906 15.732 -2.510 1006 HD2 HIS 124 HD2 HIS 124 4.579 19.551 -2.614 1007 HE1 HIS 124 HE1 HIS 124 7.579 17.827 -0.199 1008 HE2 HIS 124 HE2 HIS 124 6.538 20.014 -0.954 1009 H ASN 125 H ASN 125 4.853 13.820 -3.247 1010 HA ASN 125 HA ASN 125 7.811 13.670 -3.215 1011 HB2 ASN 125 HB2 ASN 125 6.586 13.615 -1.022 1012 HB3 ASN 125 HB3 ASN 125 5.978 12.019 -1.487 1013 HD21 ASN 125 HD21 ASN 125 7.225 10.598 -0.234 1014 HD22 ASN 125 HD22 ASN 125 8.921 10.612 -0.178 1015 H HIS 126 H HIS 126 5.573 12.532 -5.227 1016 HA HIS 126 HA HIS 126 5.459 10.736 -6.677 1017 HB2 HIS 126 HB2 HIS 126 8.023 11.544 -6.681 1018 HB3 HIS 126 HB3 HIS 126 8.268 9.931 -6.027 1019 HD2 HIS 126 HD2 HIS 126 5.742 8.682 -8.117 1020 HE1 HIS 126 HE1 HIS 126 8.618 9.638 -11.054 1021 HE2 HIS 126 HE2 HIS 126 6.507 8.311 -10.582 1022 H ASN 127 H ASN 127 5.033 10.303 -3.656 1023 HA ASN 127 HA ASN 127 5.082 7.354 -3.740 1024 HB2 ASN 127 HB2 ASN 127 5.889 8.989 -1.321 1025 HB3 ASN 127 HB3 ASN 127 5.831 7.231 -1.429 1026 HD21 ASN 127 HD21 ASN 127 7.152 6.519 -3.636 1027 HD22 ASN 127 HD22 ASN 127 8.712 7.185 -3.715 1028 H PHE 128 H PHE 128 3.479 6.347 -2.309 1029 HA PHE 128 HA PHE 128 1.536 8.091 -1.047 1030 HB2 PHE 128 HB2 PHE 128 -0.421 7.280 -2.253 1031 HB3 PHE 128 HB3 PHE 128 0.706 8.019 -3.384 1032 HD1 PHE 128 HD1 PHE 128 -0.753 4.854 -2.186 1033 HD2 PHE 128 HD2 PHE 128 1.909 6.661 -5.031 1034 HE1 PHE 128 HE1 PHE 128 -0.731 2.751 -3.495 1035 HE2 PHE 128 HE2 PHE 128 1.930 4.553 -6.338 1036 HZ PHE 128 HZ PHE 128 0.611 2.599 -5.571 1037 H VAL 129 H VAL 129 -0.139 6.892 0.163 1038 HA VAL 129 HA VAL 129 0.964 4.330 1.169 1039 HB VAL 129 HB VAL 129 -0.737 6.399 2.597 1040 HG11 VAL 129 HG11 VAL 129 -0.511 5.077 4.586 1041 HG12 VAL 129 HG12 VAL 129 0.657 4.001 3.822 1042 HG13 VAL 129 HG13 VAL 129 -1.036 3.959 3.328 1043 HG21 VAL 129 HG21 VAL 129 2.128 5.633 3.205 1044 HG22 VAL 129 HG22 VAL 129 1.220 7.035 3.776 1045 HG23 VAL 129 HG23 VAL 129 1.721 6.937 2.088 1046 H ALA 130 H ALA 130 -0.190 2.554 0.812 1047 HA ALA 130 HA ALA 130 -3.061 2.796 0.157 1048 HB1 ALA 130 HB1 ALA 130 -2.783 0.586 -0.952 1049 HB2 ALA 130 HB2 ALA 130 -1.060 0.653 -0.586 1050 HB3 ALA 130 HB3 ALA 130 -1.777 1.842 -1.671 1051 H ASN 131 H ASN 131 -4.472 2.025 1.591 1052 HA ASN 131 HA ASN 131 -5.379 0.953 3.408 1053 HB2 ASN 131 HB2 ASN 131 -3.507 -1.031 2.223 1054 HB3 ASN 131 HB3 ASN 131 -4.095 -1.385 3.846 1055 HD21 ASN 131 HD21 ASN 131 -5.956 -2.653 3.796 1056 HD22 ASN 131 HD22 ASN 131 -7.144 -2.582 2.586 1057 H GLY 132 H GLY 132 -3.135 2.868 3.819 1058 HA2 GLY 132 HA2 GLY 132 -2.130 3.713 5.748 1059 HA3 GLY 132 HA3 GLY 132 -2.558 2.233 6.594 1060 H LEU 133 H LEU 133 -1.076 1.317 3.735 1061 HA LEU 133 HA LEU 133 1.530 0.973 5.063 1062 HB2 LEU 133 HB2 LEU 133 0.381 -1.130 4.433 1063 HB3 LEU 133 HB3 LEU 133 0.280 -0.599 2.762 1064 HG LEU 133 HG LEU 133 2.817 -0.473 2.747 1065 HD11 LEU 133 HD11 LEU 133 4.049 -1.630 4.486 1066 HD12 LEU 133 HD12 LEU 133 2.555 -2.064 5.316 1067 HD13 LEU 133 HD13 LEU 133 3.066 -0.380 5.243 1068 HD21 LEU 133 HD21 LEU 133 1.806 -2.358 1.686 1069 HD22 LEU 133 HD22 LEU 133 1.369 -3.087 3.230 1070 HD23 LEU 133 HD23 LEU 133 3.057 -3.030 2.729 1071 H LEU 134 H LEU 134 3.139 2.242 4.364 1072 HA LEU 134 HA LEU 134 2.855 3.971 2.126 1073 HB2 LEU 134 HB2 LEU 134 4.158 4.689 4.042 1074 HB3 LEU 134 HB3 LEU 134 5.269 3.339 3.847 1075 HG LEU 134 HG LEU 134 5.997 4.264 1.647 1076 HD11 LEU 134 HD11 LEU 134 4.138 5.469 0.810 1077 HD12 LEU 134 HD12 LEU 134 5.304 6.728 1.208 1078 HD13 LEU 134 HD13 LEU 134 3.953 6.402 2.297 1079 HD21 LEU 134 HD21 LEU 134 6.199 6.544 3.600 1080 HD22 LEU 134 HD22 LEU 134 7.447 5.872 2.564 1081 HD23 LEU 134 HD23 LEU 134 6.939 5.010 4.012 1082 H VAL 135 H VAL 135 3.300 3.720 0.090 1083 HA VAL 135 HA VAL 135 5.065 1.508 -0.778 1084 HB VAL 135 HB VAL 135 2.438 2.333 -2.060 1085 HG11 VAL 135 HG11 VAL 135 4.548 0.318 -2.879 1086 HG12 VAL 135 HG12 VAL 135 3.894 1.647 -3.833 1087 HG13 VAL 135 HG13 VAL 135 2.888 0.246 -3.472 1088 HG21 VAL 135 HG21 VAL 135 2.082 1.017 -0.036 1089 HG22 VAL 135 HG22 VAL 135 3.287 -0.164 -0.553 1090 HG23 VAL 135 HG23 VAL 135 1.769 -0.007 -1.438 1091 H HIS 136 H HIS 136 6.570 1.979 -2.215 1092 HA HIS 136 HA HIS 136 7.103 4.670 -3.038 1093 HB2 HIS 136 HB2 HIS 136 8.907 3.002 -2.591 1094 HB3 HIS 136 HB3 HIS 136 8.376 2.073 -3.977 1095 HD2 HIS 136 HD2 HIS 136 9.599 2.895 -6.340 1096 HE1 HIS 136 HE1 HIS 136 10.973 6.657 -5.004 1097 HE2 HIS 136 HE2 HIS 136 10.982 5.023 -6.950 1098 H ASN 137 H ASN 137 6.958 5.570 -5.111 1099 HA ASN 137 HA ASN 137 5.913 4.047 -7.335 1100 HB2 ASN 137 HB2 ASN 137 3.922 4.753 -5.856 1101 HB3 ASN 137 HB3 ASN 137 4.233 6.378 -6.457 1102 HD21 ASN 137 HD21 ASN 137 2.348 6.527 -7.815 1103 HD22 ASN 137 HD22 ASN 137 2.129 5.541 -9.179 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 2.113 -0.144 -5.043 2 H2 GLU 1 HT2 GLU 1 3.684 0.498 -4.957 3 H3 GLU 1 HT3 GLU 1 3.391 -0.921 -5.844 4 HA GLU 1 HA GLU 1 2.757 1.867 -6.518 5 HB2 GLU 1 HB2 GLU 1 4.798 0.723 -7.401 6 HB3 GLU 1 HB3 GLU 1 3.764 -0.490 -8.153 7 HG2 GLU 1 HG2 GLU 1 2.665 1.268 -9.493 8 HG3 GLU 1 HG3 GLU 1 3.685 2.490 -8.744 9 H ALA 2 H ALA 2 1.641 -1.472 -6.938 10 HA ALA 2 HA ALA 2 -0.795 -0.465 -8.281 11 HB1 ALA 2 HB1 ALA 2 -0.135 -3.322 -8.601 12 HB2 ALA 2 HB2 ALA 2 1.037 -2.216 -9.307 13 HB3 ALA 2 HB3 ALA 2 -0.648 -2.131 -9.800 14 H LEU 3 H LEU 3 -2.760 -0.949 -7.410 15 HA LEU 3 HA LEU 3 -2.821 -2.779 -5.072 16 HB2 LEU 3 HB2 LEU 3 -4.050 -0.066 -5.520 17 HB3 LEU 3 HB3 LEU 3 -4.855 -1.207 -4.454 18 HG LEU 3 HG LEU 3 -3.362 0.347 -3.209 19 HD11 LEU 3 HD11 LEU 3 -2.282 -2.471 -3.113 20 HD12 LEU 3 HD12 LEU 3 -3.808 -1.965 -2.399 21 HD13 LEU 3 HD13 LEU 3 -2.291 -1.279 -1.817 22 HD21 LEU 3 HD21 LEU 3 -1.042 0.525 -3.559 23 HD22 LEU 3 HD22 LEU 3 -1.643 0.369 -5.209 24 HD23 LEU 3 HD23 LEU 3 -0.942 -1.025 -4.394 25 H THR 4 H THR 4 -4.556 -4.237 -4.921 26 HA THR 4 HA THR 4 -5.884 -4.947 -7.347 27 HB THR 4 HB THR 4 -7.183 -6.527 -5.956 28 HG1 THR 4 HG1 THR 4 -7.556 -5.356 -4.133 29 HG21 THR 4 HG21 THR 4 -5.338 -7.844 -5.178 30 HG22 THR 4 HG22 THR 4 -4.314 -6.420 -5.010 31 HG23 THR 4 HG23 THR 4 -4.790 -6.979 -6.613 32 H GLY 5 H GLY 5 -8.224 -4.941 -7.728 33 HA2 GLY 5 HA2 GLY 5 -9.325 -2.392 -7.630 34 HA3 GLY 5 HA3 GLY 5 -10.229 -3.853 -8.001 35 H ASP 6 H ASP 6 -9.926 -5.150 -5.488 36 HA ASP 6 HA ASP 6 -11.973 -3.744 -3.988 37 HB2 ASP 6 HB2 ASP 6 -12.047 -5.702 -2.559 38 HB3 ASP 6 HB3 ASP 6 -12.058 -6.183 -4.251 39 H ALA 7 H ALA 7 -8.677 -3.366 -4.024 40 HA ALA 7 HA ALA 7 -8.153 -3.098 -1.206 41 HB1 ALA 7 HB1 ALA 7 -6.031 -2.102 -1.924 42 HB2 ALA 7 HB2 ALA 7 -6.611 -2.036 -3.585 43 HB3 ALA 7 HB3 ALA 7 -6.344 -3.597 -2.807 44 H LEU 8 H LEU 8 -7.585 -1.026 -0.194 45 HA LEU 8 HA LEU 8 -9.022 1.272 -1.370 46 HB2 LEU 8 HB2 LEU 8 -9.797 1.914 0.865 47 HB3 LEU 8 HB3 LEU 8 -10.443 0.351 0.373 48 HG LEU 8 HG LEU 8 -7.856 0.366 1.948 49 HD11 LEU 8 HD11 LEU 8 -9.012 0.484 4.079 50 HD12 LEU 8 HD12 LEU 8 -10.565 0.671 3.265 51 HD13 LEU 8 HD13 LEU 8 -9.352 1.946 3.155 52 HD21 LEU 8 HD21 LEU 8 -10.300 -1.427 1.762 53 HD22 LEU 8 HD22 LEU 8 -9.019 -1.684 2.945 54 HD23 LEU 8 HD23 LEU 8 -8.661 -1.793 1.223 55 H ILE 9 H ILE 9 -8.159 3.285 -1.051 56 HA ILE 9 HA ILE 9 -5.486 3.392 0.190 57 HB ILE 9 HB ILE 9 -6.383 4.811 -2.350 58 HG12 ILE 9 HG12 ILE 9 -4.268 2.645 -2.024 59 HG13 ILE 9 HG13 ILE 9 -5.926 2.293 -2.505 60 HG21 ILE 9 HG21 ILE 9 -4.658 5.986 -0.786 61 HG22 ILE 9 HG22 ILE 9 -4.204 5.770 -2.471 62 HG23 ILE 9 HG23 ILE 9 -3.558 4.685 -1.245 63 HD11 ILE 9 HD11 ILE 9 -4.222 2.584 -4.413 64 HD12 ILE 9 HD12 ILE 9 -4.220 4.300 -4.004 65 HD13 ILE 9 HD13 ILE 9 -5.710 3.523 -4.541 66 H LEU 10 H LEU 10 -5.020 5.096 1.472 67 HA LEU 10 HA LEU 10 -7.129 6.699 2.522 68 HB2 LEU 10 HB2 LEU 10 -4.120 6.823 2.800 69 HB3 LEU 10 HB3 LEU 10 -5.200 7.960 3.604 70 HG LEU 10 HG LEU 10 -5.482 4.957 3.898 71 HD11 LEU 10 HD11 LEU 10 -4.149 6.849 5.858 72 HD12 LEU 10 HD12 LEU 10 -3.242 5.887 4.694 73 HD13 LEU 10 HD13 LEU 10 -4.209 5.088 5.931 74 HD21 LEU 10 HD21 LEU 10 -6.625 7.414 5.280 75 HD22 LEU 10 HD22 LEU 10 -6.629 5.851 6.079 76 HD23 LEU 10 HD23 LEU 10 -7.498 6.065 4.560 77 H SER 11 H SER 11 -7.712 8.752 2.061 78 HA SER 11 HA SER 11 -6.221 10.247 0.022 79 HB2 SER 11 HB2 SER 11 -8.315 10.683 -1.192 80 HB3 SER 11 HB3 SER 11 -7.898 8.973 -1.201 81 HG SER 11 HG SER 11 -9.695 10.268 0.592 82 H ASP 12 H ASP 12 -7.818 12.392 -0.348 83 HA ASP 12 HA ASP 12 -7.325 14.027 1.819 84 HB2 ASP 12 HB2 ASP 12 -8.834 15.656 0.769 85 HB3 ASP 12 HB3 ASP 12 -7.838 14.866 -0.450 86 H ARG 13 H ARG 13 -10.176 12.026 1.183 87 HA ARG 13 HA ARG 13 -11.620 13.106 3.482 88 HB2 ARG 13 HB2 ARG 13 -12.665 12.366 1.242 89 HB3 ARG 13 HB3 ARG 13 -12.455 10.724 1.852 90 HG2 ARG 13 HG2 ARG 13 -13.659 11.879 4.039 91 HG3 ARG 13 HG3 ARG 13 -14.342 12.872 2.754 92 HD2 ARG 13 HD2 ARG 13 -15.832 11.017 3.110 93 HD3 ARG 13 HD3 ARG 13 -15.005 10.741 1.579 94 HE ARG 13 HE ARG 13 -13.900 8.913 2.542 95 HH11 ARG 13 HH11 ARG 13 -15.464 10.785 5.071 96 HH12 ARG 13 HH12 ARG 13 -15.179 9.595 6.298 97 HH21 ARG 13 HH21 ARG 13 -13.563 7.380 4.169 98 HH22 ARG 13 HH22 ARG 13 -14.108 7.679 5.785 99 H GLY 14 H GLY 14 -9.804 10.199 2.591 100 HA2 GLY 14 HA2 GLY 14 -8.786 9.240 4.806 101 HA3 GLY 14 HA3 GLY 14 -10.477 8.908 5.157 102 H TRP 15 H TRP 15 -10.202 6.662 5.205 103 HA TRP 15 HA TRP 15 -8.958 5.154 3.102 104 HB2 TRP 15 HB2 TRP 15 -10.524 4.532 5.580 105 HB3 TRP 15 HB3 TRP 15 -10.437 3.276 4.357 106 HD1 TRP 15 HD1 TRP 15 -7.535 3.319 3.390 107 HE1 TRP 15 HE1 TRP 15 -5.555 2.835 4.967 108 HE3 TRP 15 HE3 TRP 15 -9.717 4.319 7.910 109 HZ2 TRP 15 HZ2 TRP 15 -4.969 2.857 7.757 110 HZ3 TRP 15 HZ3 TRP 15 -8.418 4.073 10.008 111 HH2 TRP 15 HH2 TRP 15 -6.048 3.344 9.935 112 H LEU 16 H LEU 16 -9.793 5.082 1.090 113 HA LEU 16 HA LEU 16 -12.561 4.168 0.798 114 HB2 LEU 16 HB2 LEU 16 -11.479 6.662 -0.511 115 HB3 LEU 16 HB3 LEU 16 -12.861 5.784 -1.165 116 HG LEU 16 HG LEU 16 -12.721 6.791 1.695 117 HD11 LEU 16 HD11 LEU 16 -13.729 8.105 -0.840 118 HD12 LEU 16 HD12 LEU 16 -12.690 8.780 0.413 119 HD13 LEU 16 HD13 LEU 16 -14.404 8.531 0.732 120 HD21 LEU 16 HD21 LEU 16 -14.358 5.030 1.452 121 HD22 LEU 16 HD22 LEU 16 -14.927 5.684 -0.084 122 HD23 LEU 16 HD23 LEU 16 -15.262 6.544 1.419 123 H ARG 17 H ARG 17 -13.002 3.027 -1.130 124 HA ARG 17 HA ARG 17 -11.083 1.260 -1.977 125 HB2 ARG 17 HB2 ARG 17 -13.798 1.819 -2.671 126 HB3 ARG 17 HB3 ARG 17 -12.922 1.666 -4.188 127 HG2 ARG 17 HG2 ARG 17 -13.659 -0.548 -3.645 128 HG3 ARG 17 HG3 ARG 17 -11.944 -0.518 -3.236 129 HD2 ARG 17 HD2 ARG 17 -12.731 0.153 -0.856 130 HD3 ARG 17 HD3 ARG 17 -14.320 -0.397 -1.377 131 HE ARG 17 HE ARG 17 -12.436 -2.422 -1.975 132 HH11 ARG 17 HH11 ARG 17 -13.888 -0.902 0.845 133 HH12 ARG 17 HH12 ARG 17 -13.723 -2.311 1.839 134 HH21 ARG 17 HH21 ARG 17 -12.249 -4.238 -0.643 135 HH22 ARG 17 HH22 ARG 17 -12.801 -4.187 1.000 136 H ILE 18 H ILE 18 -9.749 0.979 -3.719 137 HA ILE 18 HA ILE 18 -8.118 3.028 -4.516 138 HB ILE 18 HB ILE 18 -7.429 1.547 -6.460 139 HG12 ILE 18 HG12 ILE 18 -8.440 -0.876 -6.169 140 HG13 ILE 18 HG13 ILE 18 -9.797 -0.059 -5.416 141 HG21 ILE 18 HG21 ILE 18 -6.751 -0.372 -4.841 142 HG22 ILE 18 HG22 ILE 18 -7.540 0.600 -3.602 143 HG23 ILE 18 HG23 ILE 18 -6.183 1.255 -4.506 144 HD11 ILE 18 HD11 ILE 18 -9.205 -0.381 -8.202 145 HD12 ILE 18 HD12 ILE 18 -9.239 1.343 -7.862 146 HD13 ILE 18 HD13 ILE 18 -10.625 0.329 -7.463 147 H ASP 19 H ASP 19 -11.176 2.150 -5.979 148 HA ASP 19 HA ASP 19 -10.709 3.997 -8.223 149 HB2 ASP 19 HB2 ASP 19 -11.532 1.708 -8.724 150 HB3 ASP 19 HB3 ASP 19 -12.994 2.046 -7.801 151 H ASP 20 H ASP 20 -11.166 5.000 -5.502 152 HA ASP 20 HA ASP 20 -13.857 6.096 -5.577 153 HB2 ASP 20 HB2 ASP 20 -13.327 7.091 -3.403 154 HB3 ASP 20 HB3 ASP 20 -12.954 5.370 -3.422 155 HA PRO 21 HA PRO 21 -12.959 10.075 -7.463 156 HB2 PRO 21 HB2 PRO 21 -14.535 11.347 -5.280 157 HB3 PRO 21 HB3 PRO 21 -14.757 11.434 -7.041 158 HG2 PRO 21 HG2 PRO 21 -16.412 10.014 -5.579 159 HG3 PRO 21 HG3 PRO 21 -15.838 9.390 -7.139 160 HD2 PRO 21 HD2 PRO 21 -14.922 8.645 -4.373 161 HD3 PRO 21 HD3 PRO 21 -15.263 7.596 -5.776 162 H THR 22 H THR 22 -12.402 9.595 -4.018 163 HA THR 22 HA THR 22 -11.186 12.063 -3.446 164 HB THR 22 HB THR 22 -10.345 10.997 -1.418 165 HG1 THR 22 HG1 THR 22 -10.947 8.771 -1.132 166 HG21 THR 22 HG21 THR 22 -13.149 10.031 -1.904 167 HG22 THR 22 HG22 THR 22 -12.772 11.752 -1.787 168 HG23 THR 22 HG23 THR 22 -12.444 10.684 -0.426 169 H LEU 23 H LEU 23 -9.585 8.966 -4.422 170 HA LEU 23 HA LEU 23 -7.079 10.484 -4.549 171 HB2 LEU 23 HB2 LEU 23 -6.089 8.222 -5.398 172 HB3 LEU 23 HB3 LEU 23 -6.348 8.487 -3.688 173 HG LEU 23 HG LEU 23 -8.690 7.309 -5.123 174 HD11 LEU 23 HD11 LEU 23 -6.078 5.815 -4.912 175 HD12 LEU 23 HD12 LEU 23 -7.088 6.044 -6.340 176 HD13 LEU 23 HD13 LEU 23 -7.634 4.994 -5.035 177 HD21 LEU 23 HD21 LEU 23 -7.172 6.749 -2.556 178 HD22 LEU 23 HD22 LEU 23 -8.516 5.742 -3.080 179 HD23 LEU 23 HD23 LEU 23 -8.781 7.447 -2.709 180 H GLN 24 H GLN 24 -9.646 9.633 -6.593 181 HA GLN 24 HA GLN 24 -8.069 9.711 -9.034 182 HB2 GLN 24 HB2 GLN 24 -10.878 9.110 -8.312 183 HB3 GLN 24 HB3 GLN 24 -10.712 9.978 -9.833 184 HG2 GLN 24 HG2 GLN 24 -10.658 7.577 -10.274 185 HG3 GLN 24 HG3 GLN 24 -9.061 8.256 -10.594 186 HE21 GLN 24 HE21 GLN 24 -10.920 6.371 -8.186 187 HE22 GLN 24 HE22 GLN 24 -9.556 5.670 -7.456 188 H GLU 25 H GLU 25 -9.798 12.017 -7.032 189 HA GLU 25 HA GLU 25 -9.175 14.120 -9.018 190 HB2 GLU 25 HB2 GLU 25 -11.754 13.895 -7.462 191 HB3 GLU 25 HB3 GLU 25 -11.301 15.252 -8.493 192 HG2 GLU 25 HG2 GLU 25 -11.125 13.699 -10.427 193 HG3 GLU 25 HG3 GLU 25 -11.646 12.373 -9.389 194 H CYS 26 H CYS 26 -8.826 13.159 -5.746 195 HA CYS 26 HA CYS 26 -8.084 15.913 -5.012 196 HB2 CYS 26 HB2 CYS 26 -9.473 13.923 -3.195 197 HB3 CYS 26 HB3 CYS 26 -8.859 15.500 -2.724 198 HG CYS 26 HG CYS 26 -11.443 15.630 -3.407 199 H ARG 27 H ARG 27 -6.705 15.904 -2.971 200 HA ARG 27 HA ARG 27 -4.266 14.680 -3.622 201 HB2 ARG 27 HB2 ARG 27 -5.252 16.185 -1.212 202 HB3 ARG 27 HB3 ARG 27 -3.687 15.385 -1.159 203 HG2 ARG 27 HG2 ARG 27 -3.096 17.515 -1.945 204 HG3 ARG 27 HG3 ARG 27 -3.253 16.615 -3.450 205 HD2 ARG 27 HD2 ARG 27 -4.433 18.683 -3.748 206 HD3 ARG 27 HD3 ARG 27 -5.654 17.429 -3.567 207 HE ARG 27 HE ARG 27 -5.043 18.542 -1.023 208 HH11 ARG 27 HH11 ARG 27 -6.720 19.361 -4.002 209 HH12 ARG 27 HH12 ARG 27 -7.810 20.461 -3.227 210 HH21 ARG 27 HH21 ARG 27 -6.483 19.995 -0.058 211 HH22 ARG 27 HH22 ARG 27 -7.675 20.816 -1.010 212 H VAL 28 H VAL 28 -2.992 13.189 -2.519 213 HA VAL 28 HA VAL 28 -4.454 11.178 -0.918 214 HB VAL 28 HB VAL 28 -4.123 10.366 -3.233 215 HG11 VAL 28 HG11 VAL 28 -1.151 10.617 -2.690 216 HG12 VAL 28 HG12 VAL 28 -2.076 11.729 -3.699 217 HG13 VAL 28 HG13 VAL 28 -1.914 10.038 -4.172 218 HG21 VAL 28 HG21 VAL 28 -4.120 8.605 -1.645 219 HG22 VAL 28 HG22 VAL 28 -2.535 9.050 -1.015 220 HG23 VAL 28 HG23 VAL 28 -2.675 8.300 -2.604 221 H LEU 29 H LEU 29 -3.336 10.280 0.829 222 HA LEU 29 HA LEU 29 -1.226 11.860 1.916 223 HB2 LEU 29 HB2 LEU 29 -2.500 9.286 2.849 224 HB3 LEU 29 HB3 LEU 29 -1.228 10.111 3.749 225 HG LEU 29 HG LEU 29 -3.811 11.461 2.910 226 HD11 LEU 29 HD11 LEU 29 -4.368 11.202 5.394 227 HD12 LEU 29 HD12 LEU 29 -3.077 10.004 5.455 228 HD13 LEU 29 HD13 LEU 29 -4.479 9.738 4.420 229 HD21 LEU 29 HD21 LEU 29 -1.531 12.173 4.788 230 HD22 LEU 29 HD22 LEU 29 -3.085 13.004 4.840 231 HD23 LEU 29 HD23 LEU 29 -2.093 13.085 3.386 232 H SER 30 H SER 30 0.883 11.544 2.103 233 HA SER 30 HA SER 30 2.153 9.031 1.275 234 HB2 SER 30 HB2 SER 30 2.922 11.664 0.001 235 HB3 SER 30 HB3 SER 30 3.520 10.056 -0.396 236 HG SER 30 HG SER 30 1.670 11.147 -1.657 237 H TYR 31 H TYR 31 4.642 9.269 1.610 238 HA TYR 31 HA TYR 31 5.063 10.876 4.050 239 HB2 TYR 31 HB2 TYR 31 5.310 8.313 4.156 240 HB3 TYR 31 HB3 TYR 31 6.740 8.530 3.145 241 HD1 TYR 31 HD1 TYR 31 5.323 8.941 6.487 242 HD2 TYR 31 HD2 TYR 31 8.667 9.882 3.966 243 HE1 TYR 31 HE1 TYR 31 6.658 9.554 8.487 244 HE2 TYR 31 HE2 TYR 31 10.004 10.491 5.964 245 HH TYR 31 HH TYR 31 8.992 11.323 8.666 246 H ASN 32 H ASN 32 5.979 12.743 3.464 247 HA ASN 32 HA ASN 32 7.634 12.947 1.125 248 HB2 ASN 32 HB2 ASN 32 6.585 14.819 3.190 249 HB3 ASN 32 HB3 ASN 32 8.057 15.306 2.353 250 HD21 ASN 32 HD21 ASN 32 7.759 16.298 0.352 251 HD22 ASN 32 HD22 ASN 32 6.334 16.219 -0.567 252 H GLU 33 H GLU 33 9.489 11.911 1.197 253 HA GLU 33 HA GLU 33 11.085 11.431 3.469 254 HB2 GLU 33 HB2 GLU 33 11.773 11.488 0.529 255 HB3 GLU 33 HB3 GLU 33 12.926 11.008 1.774 256 HG2 GLU 33 HG2 GLU 33 11.427 9.239 2.523 257 HG3 GLU 33 HG3 GLU 33 10.213 9.723 1.339 258 H SER 34 H SER 34 11.140 14.076 1.136 259 HA SER 34 HA SER 34 13.570 15.280 1.879 260 HB2 SER 34 HB2 SER 34 12.355 15.848 -0.186 261 HB3 SER 34 HB3 SER 34 11.061 16.553 0.776 262 HG SER 34 HG SER 34 12.265 18.256 1.146 263 H THR 35 H THR 35 10.260 15.838 2.985 264 HA THR 35 HA THR 35 11.069 17.812 4.958 265 HB THR 35 HB THR 35 8.342 16.571 4.530 266 HG1 THR 35 HG1 THR 35 7.995 18.304 3.161 267 HG21 THR 35 HG21 THR 35 9.344 19.062 5.907 268 HG22 THR 35 HG22 THR 35 8.447 17.721 6.619 269 HG23 THR 35 HG23 THR 35 7.650 18.812 5.483 270 H GLN 36 H GLN 36 10.493 14.411 4.857 271 HA GLN 36 HA GLN 36 10.581 12.726 6.384 272 HB2 GLN 36 HB2 GLN 36 11.747 14.860 8.205 273 HB3 GLN 36 HB3 GLN 36 11.724 13.132 8.555 274 HG2 GLN 36 HG2 GLN 36 13.047 12.696 6.517 275 HG3 GLN 36 HG3 GLN 36 13.079 14.424 6.168 276 HE21 GLN 36 HE21 GLN 36 15.029 15.332 6.788 277 HE22 GLN 36 HE22 GLN 36 15.938 14.869 8.145 278 H GLN 37 H GLN 37 8.211 14.410 6.063 279 HA GLN 37 HA GLN 37 6.790 13.633 8.510 280 HB2 GLN 37 HB2 GLN 37 6.780 16.422 7.339 281 HB3 GLN 37 HB3 GLN 37 5.565 15.841 8.478 282 HG2 GLN 37 HG2 GLN 37 7.244 15.445 10.174 283 HG3 GLN 37 HG3 GLN 37 8.544 15.789 9.037 284 HE21 GLN 37 HE21 GLN 37 7.864 17.205 11.608 285 HE22 GLN 37 HE22 GLN 37 7.632 18.830 11.175 286 H TRP 38 H TRP 38 4.396 13.660 8.215 287 HA TRP 38 HA TRP 38 3.634 12.512 5.685 288 HB2 TRP 38 HB2 TRP 38 2.048 13.314 8.132 289 HB3 TRP 38 HB3 TRP 38 1.298 12.632 6.693 290 HD1 TRP 38 HD1 TRP 38 2.915 11.666 9.858 291 HE1 TRP 38 HE1 TRP 38 3.357 9.130 9.909 292 HE3 TRP 38 HE3 TRP 38 2.120 10.539 4.947 293 HZ2 TRP 38 HZ2 TRP 38 3.390 6.909 8.089 294 HZ3 TRP 38 HZ3 TRP 38 2.367 8.212 4.125 295 HH2 TRP 38 HH2 TRP 38 2.999 6.395 5.685 296 H GLU 39 H GLU 39 2.666 13.457 3.973 297 HA GLU 39 HA GLU 39 1.453 16.108 4.222 298 HB2 GLU 39 HB2 GLU 39 3.923 15.520 2.605 299 HB3 GLU 39 HB3 GLU 39 2.796 16.771 2.085 300 HG2 GLU 39 HG2 GLU 39 4.049 16.664 4.847 301 HG3 GLU 39 HG3 GLU 39 4.680 17.630 3.516 302 H TRP 40 H TRP 40 0.128 16.697 2.439 303 HA TRP 40 HA TRP 40 -0.948 14.390 0.992 304 HB2 TRP 40 HB2 TRP 40 -1.982 17.078 1.764 305 HB3 TRP 40 HB3 TRP 40 -2.505 16.514 0.185 306 HD1 TRP 40 HD1 TRP 40 -3.386 13.778 0.299 307 HE1 TRP 40 HE1 TRP 40 -5.081 12.809 1.979 308 HE3 TRP 40 HE3 TRP 40 -3.044 17.265 4.019 309 HZ2 TRP 40 HZ2 TRP 40 -6.149 13.416 4.546 310 HZ3 TRP 40 HZ3 TRP 40 -4.417 17.043 6.075 311 HH2 TRP 40 HH2 TRP 40 -5.967 15.124 6.343 312 H GLN 41 H GLN 41 -0.756 14.045 -1.110 313 HA GLN 41 HA GLN 41 0.751 16.015 -2.730 314 HB2 GLN 41 HB2 GLN 41 0.759 12.989 -2.852 315 HB3 GLN 41 HB3 GLN 41 1.560 14.043 -4.021 316 HG2 GLN 41 HG2 GLN 41 2.972 14.993 -2.286 317 HG3 GLN 41 HG3 GLN 41 2.107 14.105 -1.041 318 HE21 GLN 41 HE21 GLN 41 4.933 13.820 -1.365 319 HE22 GLN 41 HE22 GLN 41 5.259 12.242 -1.900 320 H GLN 42 H GLN 42 0.191 16.050 -5.068 321 HA GLN 42 HA GLN 42 -2.676 15.796 -5.359 322 HB2 GLN 42 HB2 GLN 42 -1.371 17.795 -6.187 323 HB3 GLN 42 HB3 GLN 42 -0.678 16.731 -7.416 324 HG2 GLN 42 HG2 GLN 42 -2.595 17.856 -8.394 325 HG3 GLN 42 HG3 GLN 42 -3.005 16.158 -8.159 326 HE21 GLN 42 HE21 GLN 42 -4.810 15.691 -6.835 327 HE22 GLN 42 HE22 GLN 42 -5.662 16.863 -5.951 328 H VAL 43 H VAL 43 -3.719 14.227 -6.388 329 HA VAL 43 HA VAL 43 -2.309 11.915 -7.279 330 HB VAL 43 HB VAL 43 -4.532 11.036 -7.870 331 HG11 VAL 43 HG11 VAL 43 -5.533 11.378 -5.504 332 HG12 VAL 43 HG12 VAL 43 -4.117 12.362 -5.188 333 HG13 VAL 43 HG13 VAL 43 -3.931 10.662 -5.622 334 HG21 VAL 43 HG21 VAL 43 -6.509 12.588 -7.119 335 HG22 VAL 43 HG22 VAL 43 -5.772 12.862 -8.696 336 HG23 VAL 43 HG23 VAL 43 -5.349 13.902 -7.344 337 H LEU 44 H LEU 44 -1.096 12.230 -8.918 338 HA LEU 44 HA LEU 44 -1.461 13.982 -11.004 339 HB2 LEU 44 HB2 LEU 44 0.625 12.835 -10.042 340 HB3 LEU 44 HB3 LEU 44 0.250 11.524 -11.144 341 HG LEU 44 HG LEU 44 1.923 13.098 -12.085 342 HD11 LEU 44 HD11 LEU 44 1.112 13.019 -14.244 343 HD12 LEU 44 HD12 LEU 44 -0.530 13.446 -13.764 344 HD13 LEU 44 HD13 LEU 44 0.091 11.822 -13.441 345 HD21 LEU 44 HD21 LEU 44 1.672 15.383 -12.114 346 HD22 LEU 44 HD22 LEU 44 0.355 15.145 -10.971 347 HD23 LEU 44 HD23 LEU 44 0.007 15.299 -12.688 348 H ARG 45 H ARG 45 -2.057 10.413 -10.999 349 HA ARG 45 HA ARG 45 -4.055 10.692 -13.062 350 HB2 ARG 45 HB2 ARG 45 -1.872 10.937 -14.323 351 HB3 ARG 45 HB3 ARG 45 -1.542 9.254 -13.914 352 HG2 ARG 45 HG2 ARG 45 -3.699 8.605 -14.981 353 HG3 ARG 45 HG3 ARG 45 -3.933 10.285 -15.471 354 HD2 ARG 45 HD2 ARG 45 -1.745 10.181 -16.684 355 HD3 ARG 45 HD3 ARG 45 -1.650 8.470 -16.287 356 HE ARG 45 HE ARG 45 -3.353 8.034 -17.851 357 HH11 ARG 45 HH11 ARG 45 -2.895 11.506 -17.495 358 HH12 ARG 45 HH12 ARG 45 -3.824 11.893 -18.900 359 HH21 ARG 45 HH21 ARG 45 -4.564 8.596 -19.684 360 HH22 ARG 45 HH22 ARG 45 -4.768 10.259 -20.125 361 H TRP 46 H TRP 46 -5.284 8.847 -13.403 362 HA TRP 46 HA TRP 46 -4.880 6.673 -11.467 363 HB2 TRP 46 HB2 TRP 46 -7.120 7.814 -11.663 364 HB3 TRP 46 HB3 TRP 46 -7.253 7.167 -13.297 365 HD1 TRP 46 HD1 TRP 46 -6.188 5.480 -9.955 366 HE1 TRP 46 HE1 TRP 46 -7.576 3.341 -9.639 367 HE3 TRP 46 HE3 TRP 46 -9.141 5.731 -14.114 368 HZ2 TRP 46 HZ2 TRP 46 -9.645 1.921 -10.963 369 HZ3 TRP 46 HZ3 TRP 46 -10.820 3.954 -14.556 370 HH2 TRP 46 HH2 TRP 46 -11.067 2.047 -12.972 371 H LEU 47 H LEU 47 -3.921 4.842 -12.072 372 HA LEU 47 HA LEU 47 -3.727 4.196 -14.943 373 HB2 LEU 47 HB2 LEU 47 -2.042 3.255 -12.609 374 HB3 LEU 47 HB3 LEU 47 -1.793 2.800 -14.292 375 HG LEU 47 HG LEU 47 -1.742 5.673 -13.301 376 HD11 LEU 47 HD11 LEU 47 0.760 5.408 -13.684 377 HD12 LEU 47 HD12 LEU 47 0.482 3.669 -13.769 378 HD13 LEU 47 HD13 LEU 47 0.124 4.547 -12.283 379 HD21 LEU 47 HD21 LEU 47 -0.560 6.000 -15.513 380 HD22 LEU 47 HD22 LEU 47 -2.242 5.492 -15.676 381 HD23 LEU 47 HD23 LEU 47 -0.943 4.322 -15.902 382 H ASP 48 H ASP 48 -4.846 2.555 -15.742 383 HA ASP 48 HA ASP 48 -6.048 0.566 -13.933 384 HB2 ASP 48 HB2 ASP 48 -6.505 1.014 -16.896 385 HB3 ASP 48 HB3 ASP 48 -7.424 -0.060 -15.843 386 H GLN 49 H GLN 49 -4.362 -0.853 -13.459 387 HA GLN 49 HA GLN 49 -2.529 -1.829 -15.424 388 HB2 GLN 49 HB2 GLN 49 -3.215 -2.884 -12.675 389 HB3 GLN 49 HB3 GLN 49 -1.948 -3.552 -13.698 390 HG2 GLN 49 HG2 GLN 49 -0.802 -2.012 -12.332 391 HG3 GLN 49 HG3 GLN 49 -1.050 -1.114 -13.829 392 HE21 GLN 49 HE21 GLN 49 -1.552 1.013 -13.211 393 HE22 GLN 49 HE22 GLN 49 -2.687 1.391 -11.996 394 H GLY 50 H GLY 50 -5.601 -2.987 -14.150 395 HA2 GLY 50 HA2 GLY 50 -7.083 -4.548 -14.998 396 HA3 GLY 50 HA3 GLY 50 -6.044 -4.701 -16.415 397 H VAL 51 H VAL 51 -5.127 -6.623 -16.664 398 HA VAL 51 HA VAL 51 -5.143 -8.622 -14.596 399 HB VAL 51 HB VAL 51 -3.728 -8.586 -17.295 400 HG11 VAL 51 HG11 VAL 51 -3.058 -10.328 -15.415 401 HG12 VAL 51 HG12 VAL 51 -3.288 -10.857 -17.076 402 HG13 VAL 51 HG13 VAL 51 -4.562 -11.116 -15.893 403 HG21 VAL 51 HG21 VAL 51 -6.419 -9.779 -16.519 404 HG22 VAL 51 HG22 VAL 51 -5.674 -9.861 -18.115 405 HG23 VAL 51 HG23 VAL 51 -6.198 -8.307 -17.468 406 H ARG 52 H ARG 52 -3.743 -8.578 -12.913 407 HA ARG 52 HA ARG 52 -0.905 -8.279 -13.400 408 HB2 ARG 52 HB2 ARG 52 -2.228 -5.934 -12.891 409 HB3 ARG 52 HB3 ARG 52 -1.801 -6.421 -11.254 410 HG2 ARG 52 HG2 ARG 52 0.356 -6.565 -13.364 411 HG3 ARG 52 HG3 ARG 52 -0.121 -4.974 -12.787 412 HD2 ARG 52 HD2 ARG 52 0.576 -5.409 -10.594 413 HD3 ARG 52 HD3 ARG 52 0.516 -7.154 -10.808 414 HE ARG 52 HE ARG 52 2.648 -7.078 -11.764 415 HH11 ARG 52 HH11 ARG 52 1.409 -3.808 -11.406 416 HH12 ARG 52 HH12 ARG 52 2.929 -3.063 -11.772 417 HH21 ARG 52 HH21 ARG 52 4.609 -6.065 -12.237 418 HH22 ARG 52 HH22 ARG 52 4.730 -4.338 -12.241 419 H GLU 53 H GLU 53 0.371 -9.089 -11.785 420 HA GLU 53 HA GLU 53 -0.891 -10.984 -9.970 421 HB2 GLU 53 HB2 GLU 53 1.280 -11.267 -11.434 422 HB3 GLU 53 HB3 GLU 53 2.069 -10.446 -10.093 423 HG2 GLU 53 HG2 GLU 53 2.302 -12.688 -9.481 424 HG3 GLU 53 HG3 GLU 53 0.844 -12.236 -8.610 425 H THR 54 H THR 54 -0.832 -10.893 -7.665 426 HA THR 54 HA THR 54 0.559 -8.607 -6.446 427 HB THR 54 HB THR 54 -1.700 -7.764 -7.006 428 HG1 THR 54 HG1 THR 54 -1.785 -6.732 -5.158 429 HG21 THR 54 HG21 THR 54 -3.384 -9.295 -6.827 430 HG22 THR 54 HG22 THR 54 -3.409 -8.796 -5.138 431 HG23 THR 54 HG23 THR 54 -2.544 -10.251 -5.603 432 H TRP 55 H TRP 55 0.899 -8.680 -4.252 433 HA TRP 55 HA TRP 55 0.591 -11.317 -2.917 434 HB2 TRP 55 HB2 TRP 55 2.779 -9.216 -2.743 435 HB3 TRP 55 HB3 TRP 55 2.617 -10.526 -1.585 436 HD1 TRP 55 HD1 TRP 55 2.114 -11.034 -5.403 437 HE1 TRP 55 HE1 TRP 55 3.950 -12.607 -6.253 438 HE3 TRP 55 HE3 TRP 55 4.972 -11.444 -1.180 439 HZ2 TRP 55 HZ2 TRP 55 6.324 -13.870 -5.299 440 HZ3 TRP 55 HZ3 TRP 55 7.021 -12.842 -1.189 441 HH2 TRP 55 HH2 TRP 55 7.698 -14.054 -3.244 442 H LYS 56 H LYS 56 -0.390 -11.274 -0.910 443 HA LYS 56 HA LYS 56 -1.445 -8.692 -0.009 444 HB2 LYS 56 HB2 LYS 56 -3.050 -10.543 -0.428 445 HB3 LYS 56 HB3 LYS 56 -2.288 -11.462 0.871 446 HG2 LYS 56 HG2 LYS 56 -2.919 -9.776 2.521 447 HG3 LYS 56 HG3 LYS 56 -3.489 -8.691 1.251 448 HD2 LYS 56 HD2 LYS 56 -5.445 -9.728 2.196 449 HD3 LYS 56 HD3 LYS 56 -5.187 -10.482 0.624 450 HE2 LYS 56 HE2 LYS 56 -4.097 -12.398 1.690 451 HE3 LYS 56 HE3 LYS 56 -4.269 -11.646 3.276 452 HZ1 LYS 56 HZ1 LYS 56 -6.306 -12.846 1.542 453 HZ2 LYS 56 HZ2 LYS 56 -6.766 -11.564 2.560 454 HZ3 LYS 56 HZ3 LYS 56 -6.100 -12.984 3.219 455 H ILE 57 H ILE 57 0.128 -7.769 1.124 456 HA ILE 57 HA ILE 57 1.549 -9.137 3.240 457 HB ILE 57 HB ILE 57 1.458 -6.138 2.727 458 HG12 ILE 57 HG12 ILE 57 3.843 -6.773 1.666 459 HG13 ILE 57 HG13 ILE 57 3.081 -8.341 1.414 460 HG21 ILE 57 HG21 ILE 57 2.301 -6.818 4.938 461 HG22 ILE 57 HG22 ILE 57 3.604 -6.162 3.948 462 HG23 ILE 57 HG23 ILE 57 3.460 -7.905 4.170 463 HD11 ILE 57 HD11 ILE 57 2.941 -6.435 -0.425 464 HD12 ILE 57 HD12 ILE 57 1.586 -5.878 0.552 465 HD13 ILE 57 HD13 ILE 57 1.574 -7.504 -0.133 466 H LYS 58 H LYS 58 0.306 -9.773 4.828 467 HA LYS 58 HA LYS 58 -1.864 -8.130 5.841 468 HB2 LYS 58 HB2 LYS 58 -2.165 -10.566 5.453 469 HB3 LYS 58 HB3 LYS 58 -0.947 -10.897 6.674 470 HG2 LYS 58 HG2 LYS 58 -2.339 -9.679 8.360 471 HG3 LYS 58 HG3 LYS 58 -3.574 -9.424 7.128 472 HD2 LYS 58 HD2 LYS 58 -2.588 -12.179 7.917 473 HD3 LYS 58 HD3 LYS 58 -3.972 -11.403 8.683 474 HE2 LYS 58 HE2 LYS 58 -5.055 -11.187 6.446 475 HE3 LYS 58 HE3 LYS 58 -3.694 -12.046 5.728 476 HZ1 LYS 58 HZ1 LYS 58 -5.676 -13.069 7.674 477 HZ2 LYS 58 HZ2 LYS 58 -4.207 -13.867 7.370 478 HZ3 LYS 58 HZ3 LYS 58 -5.338 -13.654 6.120 479 H THR 59 H THR 59 -1.785 -6.960 7.655 480 HA THR 59 HA THR 59 0.482 -7.343 9.521 481 HB THR 59 HB THR 59 0.783 -4.980 9.800 482 HG1 THR 59 HG1 THR 59 -1.288 -4.563 7.916 483 HG21 THR 59 HG21 THR 59 1.683 -6.140 7.648 484 HG22 THR 59 HG22 THR 59 1.710 -4.377 7.720 485 HG23 THR 59 HG23 THR 59 0.439 -5.202 6.818 486 H PHE 60 H PHE 60 0.079 -6.425 11.664 487 HA PHE 60 HA PHE 60 -2.248 -7.511 12.759 488 HB2 PHE 60 HB2 PHE 60 -0.075 -7.154 13.967 489 HB3 PHE 60 HB3 PHE 60 -0.478 -5.441 14.075 490 HD1 PHE 60 HD1 PHE 60 -1.429 -8.846 15.161 491 HD2 PHE 60 HD2 PHE 60 -2.229 -4.644 15.556 492 HE1 PHE 60 HE1 PHE 60 -2.834 -9.300 17.156 493 HE2 PHE 60 HE2 PHE 60 -3.630 -5.099 17.551 494 HZ PHE 60 HZ PHE 60 -3.933 -7.426 18.349 495 H GLN 61 H GLN 61 -1.482 -4.153 11.892 496 HA GLN 61 HA GLN 61 -4.002 -3.193 13.009 497 HB2 GLN 61 HB2 GLN 61 -1.853 -1.729 11.456 498 HB3 GLN 61 HB3 GLN 61 -3.246 -0.974 12.226 499 HG2 GLN 61 HG2 GLN 61 -2.458 -1.930 14.422 500 HG3 GLN 61 HG3 GLN 61 -1.005 -2.480 13.586 501 HE21 GLN 61 HE21 GLN 61 0.680 -1.088 14.048 502 HE22 GLN 61 HE22 GLN 61 0.555 0.610 14.105 503 H THR 62 H THR 62 -2.632 -3.918 9.844 504 HA THR 62 HA THR 62 -5.286 -3.694 8.640 505 HB THR 62 HB THR 62 -4.526 -2.210 6.823 506 HG1 THR 62 HG1 THR 62 -2.520 -1.516 6.722 507 HG21 THR 62 HG21 THR 62 -5.551 -1.317 8.969 508 HG22 THR 62 HG22 THR 62 -4.585 -0.157 8.056 509 HG23 THR 62 HG23 THR 62 -3.913 -0.927 9.494 510 H GLU 63 H GLU 63 -4.844 -4.015 6.064 511 HA GLU 63 HA GLU 63 -2.782 -5.932 5.446 512 HB2 GLU 63 HB2 GLU 63 -4.320 -7.731 4.742 513 HB3 GLU 63 HB3 GLU 63 -4.477 -7.418 6.471 514 HG2 GLU 63 HG2 GLU 63 -6.469 -5.986 6.009 515 HG3 GLU 63 HG3 GLU 63 -6.320 -6.362 4.296 516 H ILE 64 H ILE 64 -2.395 -6.024 3.209 517 HA ILE 64 HA ILE 64 -4.295 -4.800 1.383 518 HB ILE 64 HB ILE 64 -3.138 -2.861 2.401 519 HG12 ILE 64 HG12 ILE 64 -2.331 -1.856 0.195 520 HG13 ILE 64 HG13 ILE 64 -2.627 -3.433 -0.535 521 HG21 ILE 64 HG21 ILE 64 -0.966 -3.953 2.850 522 HG22 ILE 64 HG22 ILE 64 -0.768 -2.453 1.943 523 HG23 ILE 64 HG23 ILE 64 -0.643 -4.006 1.117 524 HD11 ILE 64 HD11 ILE 64 -4.921 -3.226 -0.386 525 HD12 ILE 64 HD12 ILE 64 -4.514 -1.515 -0.484 526 HD13 ILE 64 HD13 ILE 64 -4.866 -2.242 1.078 527 H LYS 65 H LYS 65 -3.984 -5.314 -0.779 528 HA LYS 65 HA LYS 65 -1.753 -7.144 -1.338 529 HB2 LYS 65 HB2 LYS 65 -3.329 -7.913 -3.271 530 HB3 LYS 65 HB3 LYS 65 -3.590 -8.533 -1.651 531 HG2 LYS 65 HG2 LYS 65 -5.042 -6.018 -2.485 532 HG3 LYS 65 HG3 LYS 65 -5.618 -7.563 -3.108 533 HD2 LYS 65 HD2 LYS 65 -5.575 -8.369 -0.652 534 HD3 LYS 65 HD3 LYS 65 -5.426 -6.666 -0.223 535 HE2 LYS 65 HE2 LYS 65 -7.782 -7.284 -0.182 536 HE3 LYS 65 HE3 LYS 65 -7.500 -6.198 -1.542 537 HZ1 LYS 65 HZ1 LYS 65 -8.849 -8.297 -1.971 538 HZ2 LYS 65 HZ2 LYS 65 -7.374 -9.133 -1.858 539 HZ3 LYS 65 HZ3 LYS 65 -7.593 -7.947 -3.055 540 H CYS 66 H CYS 66 -0.268 -6.430 -2.611 541 HA CYS 66 HA CYS 66 -0.886 -4.684 -4.868 542 HB2 CYS 66 HB2 CYS 66 0.871 -3.078 -4.246 543 HB3 CYS 66 HB3 CYS 66 -0.350 -3.157 -2.981 544 HG CYS 66 HG CYS 66 2.430 -3.532 -2.363 545 H THR 67 H THR 67 1.273 -4.283 -6.129 546 HA THR 67 HA THR 67 2.226 -6.703 -7.094 547 HB THR 67 HB THR 67 3.752 -4.085 -7.103 548 HG1 THR 67 HG1 THR 67 2.176 -3.434 -8.306 549 HG21 THR 67 HG21 THR 67 3.872 -5.812 -9.473 550 HG22 THR 67 HG22 THR 67 4.572 -6.592 -8.060 551 HG23 THR 67 HG23 THR 67 5.181 -5.033 -8.598 552 H GLY 68 H GLY 68 3.783 -8.104 -6.539 553 HA2 GLY 68 HA2 GLY 68 4.968 -7.879 -3.906 554 HA3 GLY 68 HA3 GLY 68 5.005 -9.279 -4.960 555 H ASN 69 H ASN 69 6.010 -6.608 -6.761 556 HA ASN 69 HA ASN 69 8.846 -7.306 -6.292 557 HB2 ASN 69 HB2 ASN 69 7.415 -6.516 -8.818 558 HB3 ASN 69 HB3 ASN 69 9.177 -6.555 -8.679 559 HD21 ASN 69 HD21 ASN 69 6.317 -8.546 -8.989 560 HD22 ASN 69 HD22 ASN 69 7.124 -10.040 -8.976 561 H HIS 70 H HIS 70 6.626 -4.672 -6.189 562 HA HIS 70 HA HIS 70 8.696 -2.630 -6.438 563 HB2 HIS 70 HB2 HIS 70 5.734 -2.465 -5.852 564 HB3 HIS 70 HB3 HIS 70 6.796 -1.055 -5.849 565 HD2 HIS 70 HD2 HIS 70 4.737 -3.024 -8.373 566 HE1 HIS 70 HE1 HIS 70 7.661 -1.000 -10.643 567 HE2 HIS 70 HE2 HIS 70 5.501 -2.330 -10.767 568 H LEU 71 H LEU 71 9.439 -1.289 -4.794 569 HA LEU 71 HA LEU 71 9.698 -2.563 -2.240 570 HB2 LEU 71 HB2 LEU 71 10.676 0.077 -3.332 571 HB3 LEU 71 HB3 LEU 71 10.918 -0.387 -1.650 572 HG LEU 71 HG LEU 71 11.929 -2.565 -2.569 573 HD11 LEU 71 HD11 LEU 71 11.245 -2.575 -4.838 574 HD12 LEU 71 HD12 LEU 71 12.957 -2.171 -4.905 575 HD13 LEU 71 HD13 LEU 71 11.743 -0.903 -5.085 576 HD21 LEU 71 HD21 LEU 71 13.399 -0.952 -1.579 577 HD22 LEU 71 HD22 LEU 71 13.223 0.149 -2.945 578 HD23 LEU 71 HD23 LEU 71 14.122 -1.357 -3.136 579 H ILE 72 H ILE 72 8.861 -2.083 -0.320 580 HA ILE 72 HA ILE 72 6.752 -0.008 -0.135 581 HB ILE 72 HB ILE 72 6.832 -2.730 1.245 582 HG12 ILE 72 HG12 ILE 72 4.875 -1.749 -0.873 583 HG13 ILE 72 HG13 ILE 72 6.299 -2.704 -1.265 584 HG21 ILE 72 HG21 ILE 72 4.782 -2.162 2.285 585 HG22 ILE 72 HG22 ILE 72 4.482 -0.820 1.184 586 HG23 ILE 72 HG23 ILE 72 5.723 -0.679 2.427 587 HD11 ILE 72 HD11 ILE 72 4.120 -4.017 -0.955 588 HD12 ILE 72 HD12 ILE 72 4.251 -3.633 0.762 589 HD13 ILE 72 HD13 ILE 72 5.508 -4.587 -0.027 590 H ARG 73 H ARG 73 7.044 1.467 1.569 591 HA ARG 73 HA ARG 73 9.539 1.569 2.834 592 HB2 ARG 73 HB2 ARG 73 7.845 3.498 2.652 593 HB3 ARG 73 HB3 ARG 73 7.089 2.797 4.086 594 HG2 ARG 73 HG2 ARG 73 8.611 4.358 5.009 595 HG3 ARG 73 HG3 ARG 73 9.482 2.835 5.135 596 HD2 ARG 73 HD2 ARG 73 11.073 4.286 4.214 597 HD3 ARG 73 HD3 ARG 73 10.448 3.455 2.802 598 HE ARG 73 HE ARG 73 9.313 5.430 2.163 599 HH11 ARG 73 HH11 ARG 73 10.890 5.878 5.276 600 HH12 ARG 73 HH12 ARG 73 10.730 7.600 5.231 601 HH21 ARG 73 HH21 ARG 73 9.159 7.668 2.141 602 HH22 ARG 73 HH22 ARG 73 9.773 8.600 3.464 603 H THR 74 H THR 74 10.392 0.841 4.651 604 HA THR 74 HA THR 74 8.715 -0.660 6.552 605 HB THR 74 HB THR 74 11.428 -1.567 5.578 606 HG1 THR 74 HG1 THR 74 10.233 -3.105 4.400 607 HG21 THR 74 HG21 THR 74 10.999 -2.467 7.726 608 HG22 THR 74 HG22 THR 74 10.533 -3.730 6.591 609 HG23 THR 74 HG23 THR 74 9.293 -2.741 7.358 610 H ASP 75 H ASP 75 9.908 -1.005 8.653 611 HA ASP 75 HA ASP 75 10.859 1.426 9.694 612 HB2 ASP 75 HB2 ASP 75 11.643 0.047 11.639 613 HB3 ASP 75 HB3 ASP 75 9.962 -0.231 11.194 614 H LYS 76 H LYS 76 12.520 -1.206 8.103 615 HA LYS 76 HA LYS 76 15.198 -0.234 8.725 616 HB2 LYS 76 HB2 LYS 76 14.214 -2.398 6.852 617 HB3 LYS 76 HB3 LYS 76 15.912 -2.052 7.180 618 HG2 LYS 76 HG2 LYS 76 15.545 -2.538 9.576 619 HG3 LYS 76 HG3 LYS 76 13.849 -2.890 9.239 620 HD2 LYS 76 HD2 LYS 76 14.518 -4.713 7.719 621 HD3 LYS 76 HD3 LYS 76 16.216 -4.375 8.057 622 HE2 LYS 76 HE2 LYS 76 15.461 -6.247 9.443 623 HE3 LYS 76 HE3 LYS 76 15.800 -4.850 10.469 624 HZ1 LYS 76 HZ1 LYS 76 13.598 -6.166 10.750 625 HZ2 LYS 76 HZ2 LYS 76 13.086 -5.250 9.413 626 HZ3 LYS 76 HZ3 LYS 76 13.580 -4.472 10.841 627 H GLY 77 H GLY 77 12.744 0.418 6.387 628 HA2 GLY 77 HA2 GLY 77 13.161 2.472 5.022 629 HA3 GLY 77 HA3 GLY 77 14.673 1.703 4.544 630 H TRP 78 H TRP 78 13.615 2.147 2.344 631 HA TRP 78 HA TRP 78 11.364 0.748 1.393 632 HB2 TRP 78 HB2 TRP 78 13.892 1.601 -0.022 633 HB3 TRP 78 HB3 TRP 78 12.524 0.873 -0.852 634 HD1 TRP 78 HD1 TRP 78 13.872 4.115 -0.089 635 HE1 TRP 78 HE1 TRP 78 12.077 5.955 -0.232 636 HE3 TRP 78 HE3 TRP 78 9.664 1.234 -0.014 637 HZ2 TRP 78 HZ2 TRP 78 9.241 6.174 -0.301 638 HZ3 TRP 78 HZ3 TRP 78 7.422 2.292 -0.113 639 HH2 TRP 78 HH2 TRP 78 7.220 4.759 -0.260 640 H ILE 79 H ILE 79 10.998 -1.364 1.111 641 HA ILE 79 HA ILE 79 13.233 -3.127 0.414 642 HB ILE 79 HB ILE 79 11.273 -3.792 2.648 643 HG12 ILE 79 HG12 ILE 79 14.298 -3.481 2.763 644 HG13 ILE 79 HG13 ILE 79 13.189 -2.173 3.171 645 HG21 ILE 79 HG21 ILE 79 12.760 -5.848 2.870 646 HG22 ILE 79 HG22 ILE 79 13.506 -5.397 1.338 647 HG23 ILE 79 HG23 ILE 79 11.794 -5.816 1.394 648 HD11 ILE 79 HD11 ILE 79 13.048 -4.890 4.500 649 HD12 ILE 79 HD12 ILE 79 12.284 -3.394 5.023 650 HD13 ILE 79 HD13 ILE 79 14.034 -3.576 5.137 651 H LYS 80 H LYS 80 12.795 -4.613 -1.085 652 HA LYS 80 HA LYS 80 10.536 -4.433 -2.721 653 HB2 LYS 80 HB2 LYS 80 12.727 -5.435 -3.384 654 HB3 LYS 80 HB3 LYS 80 12.361 -6.833 -2.377 655 HG2 LYS 80 HG2 LYS 80 10.463 -7.420 -3.738 656 HG3 LYS 80 HG3 LYS 80 10.549 -5.900 -4.623 657 HD2 LYS 80 HD2 LYS 80 11.524 -7.571 -6.051 658 HD3 LYS 80 HD3 LYS 80 12.861 -6.618 -5.412 659 HE2 LYS 80 HE2 LYS 80 13.316 -8.334 -3.719 660 HE3 LYS 80 HE3 LYS 80 11.930 -9.275 -4.268 661 HZ1 LYS 80 HZ1 LYS 80 13.678 -10.250 -5.382 662 HZ2 LYS 80 HZ2 LYS 80 14.494 -8.780 -5.629 663 HZ3 LYS 80 HZ3 LYS 80 13.108 -9.152 -6.540 664 H ALA 81 H ALA 81 8.563 -5.385 -2.723 665 HA ALA 81 HA ALA 81 7.409 -6.302 -0.355 666 HB1 ALA 81 HB1 ALA 81 5.875 -5.500 -1.899 667 HB2 ALA 81 HB2 ALA 81 5.617 -7.240 -2.006 668 HB3 ALA 81 HB3 ALA 81 6.580 -6.414 -3.231 669 H ALA 82 H ALA 82 8.812 -8.119 -3.030 670 HA ALA 82 HA ALA 82 8.027 -10.706 -2.260 671 HB1 ALA 82 HB1 ALA 82 9.018 -11.071 -4.241 672 HB2 ALA 82 HB2 ALA 82 10.581 -10.944 -3.440 673 HB3 ALA 82 HB3 ALA 82 9.847 -9.520 -4.176 674 H ASN 83 H ASN 83 10.742 -8.655 -1.305 675 HA ASN 83 HA ASN 83 12.107 -10.627 0.255 676 HB2 ASN 83 HB2 ASN 83 13.134 -8.566 -0.808 677 HB3 ASN 83 HB3 ASN 83 12.411 -7.638 0.507 678 HD21 ASN 83 HD21 ASN 83 14.363 -7.115 1.631 679 HD22 ASN 83 HD22 ASN 83 15.363 -8.289 2.336 680 H ILE 84 H ILE 84 9.542 -8.323 0.952 681 HA ILE 84 HA ILE 84 9.827 -8.037 3.715 682 HB ILE 84 HB ILE 84 7.219 -8.183 2.166 683 HG12 ILE 84 HG12 ILE 84 8.733 -6.465 1.235 684 HG13 ILE 84 HG13 ILE 84 7.382 -5.699 2.048 685 HG21 ILE 84 HG21 ILE 84 6.947 -8.377 4.645 686 HG22 ILE 84 HG22 ILE 84 6.220 -6.910 3.990 687 HG23 ILE 84 HG23 ILE 84 7.769 -6.826 4.827 688 HD11 ILE 84 HD11 ILE 84 9.282 -4.449 2.757 689 HD12 ILE 84 HD12 ILE 84 10.264 -5.897 2.973 690 HD13 ILE 84 HD13 ILE 84 8.967 -5.536 4.111 691 H THR 85 H THR 85 9.297 -9.165 5.474 692 HA THR 85 HA THR 85 7.998 -11.793 5.186 693 HB THR 85 HB THR 85 9.635 -12.736 6.810 694 HG1 THR 85 HG1 THR 85 11.276 -11.556 7.519 695 HG21 THR 85 HG21 THR 85 10.659 -11.585 4.219 696 HG22 THR 85 HG22 THR 85 10.110 -13.229 4.542 697 HG23 THR 85 HG23 THR 85 11.636 -12.662 5.218 698 HA PRO 86 HA PRO 86 5.318 -10.883 8.590 699 HB2 PRO 86 HB2 PRO 86 6.785 -12.879 10.277 700 HB3 PRO 86 HB3 PRO 86 5.035 -12.648 10.071 701 HG2 PRO 86 HG2 PRO 86 6.246 -14.603 8.818 702 HG3 PRO 86 HG3 PRO 86 5.019 -13.641 7.979 703 HD2 PRO 86 HD2 PRO 86 7.976 -13.619 7.636 704 HD3 PRO 86 HD3 PRO 86 6.677 -13.298 6.450 705 H LYS 87 H LYS 87 8.717 -11.287 9.637 706 HA LYS 87 HA LYS 87 8.521 -9.821 12.038 707 HB2 LYS 87 HB2 LYS 87 10.943 -9.776 12.099 708 HB3 LYS 87 HB3 LYS 87 10.413 -11.356 11.532 709 HG2 LYS 87 HG2 LYS 87 10.847 -10.688 9.208 710 HG3 LYS 87 HG3 LYS 87 11.342 -9.082 9.744 711 HD2 LYS 87 HD2 LYS 87 13.168 -10.093 11.065 712 HD3 LYS 87 HD3 LYS 87 12.685 -11.694 10.502 713 HE2 LYS 87 HE2 LYS 87 14.549 -10.868 9.143 714 HE3 LYS 87 HE3 LYS 87 13.092 -10.971 8.157 715 HZ1 LYS 87 HZ1 LYS 87 14.687 -8.714 8.721 716 HZ2 LYS 87 HZ2 LYS 87 13.123 -8.430 9.317 717 HZ3 LYS 87 HZ3 LYS 87 13.356 -8.835 7.684 718 H MET 88 H MET 88 8.782 -8.685 8.759 719 HA MET 88 HA MET 88 9.931 -6.160 9.255 720 HB2 MET 88 HB2 MET 88 8.497 -7.426 6.993 721 HB3 MET 88 HB3 MET 88 8.288 -5.685 7.068 722 HG2 MET 88 HG2 MET 88 10.232 -5.903 5.769 723 HG3 MET 88 HG3 MET 88 10.883 -5.626 7.384 724 HE1 MET 88 HE1 MET 88 12.087 -6.759 4.805 725 HE2 MET 88 HE2 MET 88 12.910 -8.290 5.086 726 HE3 MET 88 HE3 MET 88 13.272 -6.907 6.112 727 H LYS 89 H LYS 89 9.129 -4.167 9.676 728 HA LYS 89 HA LYS 89 6.276 -3.978 10.424 729 HB2 LYS 89 HB2 LYS 89 8.653 -2.812 11.892 730 HB3 LYS 89 HB3 LYS 89 6.968 -2.445 12.261 731 HG2 LYS 89 HG2 LYS 89 6.520 -4.788 12.782 732 HG3 LYS 89 HG3 LYS 89 8.150 -5.241 12.295 733 HD2 LYS 89 HD2 LYS 89 8.171 -5.114 14.696 734 HD3 LYS 89 HD3 LYS 89 9.013 -3.680 14.115 735 HE2 LYS 89 HE2 LYS 89 7.001 -2.325 14.435 736 HE3 LYS 89 HE3 LYS 89 6.086 -3.749 14.927 737 HZ1 LYS 89 HZ1 LYS 89 6.716 -2.876 16.937 738 HZ2 LYS 89 HZ2 LYS 89 8.210 -2.311 16.360 739 HZ3 LYS 89 HZ3 LYS 89 7.983 -3.967 16.660 740 H ILE 90 H ILE 90 5.201 -2.203 9.700 741 HA ILE 90 HA ILE 90 6.790 -0.093 8.345 742 HB ILE 90 HB ILE 90 4.117 -1.144 7.342 743 HG12 ILE 90 HG12 ILE 90 5.746 -1.863 5.352 744 HG13 ILE 90 HG13 ILE 90 6.980 -1.831 6.607 745 HG21 ILE 90 HG21 ILE 90 4.985 0.197 5.260 746 HG22 ILE 90 HG22 ILE 90 6.029 1.001 6.424 747 HG23 ILE 90 HG23 ILE 90 4.278 1.081 6.613 748 HD11 ILE 90 HD11 ILE 90 6.014 -3.607 7.781 749 HD12 ILE 90 HD12 ILE 90 5.672 -4.056 6.113 750 HD13 ILE 90 HD13 ILE 90 4.409 -3.325 7.100 751 H LEU 91 H LEU 91 6.385 1.918 8.967 752 HA LEU 91 HA LEU 91 4.575 2.476 11.069 753 HB2 LEU 91 HB2 LEU 91 5.229 4.789 10.873 754 HB3 LEU 91 HB3 LEU 91 6.658 3.777 10.746 755 HG LEU 91 HG LEU 91 5.252 4.608 8.196 756 HD11 LEU 91 HD11 LEU 91 5.503 6.679 9.559 757 HD12 LEU 91 HD12 LEU 91 6.481 6.697 8.092 758 HD13 LEU 91 HD13 LEU 91 7.236 6.372 9.651 759 HD21 LEU 91 HD21 LEU 91 7.053 3.179 7.701 760 HD22 LEU 91 HD22 LEU 91 8.034 3.769 9.038 761 HD23 LEU 91 HD23 LEU 91 7.848 4.743 7.582 762 H SER 92 H SER 92 2.609 3.380 11.148 763 HA SER 92 HA SER 92 1.241 3.961 8.596 764 HB2 SER 92 HB2 SER 92 0.143 2.423 10.979 765 HB3 SER 92 HB3 SER 92 -0.817 2.973 9.607 766 HG SER 92 HG SER 92 0.796 0.827 9.850 767 HA PRO 93 HA PRO 93 0.174 7.808 10.607 768 HB2 PRO 93 HB2 PRO 93 -2.064 8.563 9.295 769 HB3 PRO 93 HB3 PRO 93 -0.463 8.578 8.526 770 HG2 PRO 93 HG2 PRO 93 -2.631 6.538 8.321 771 HG3 PRO 93 HG3 PRO 93 -1.623 7.239 7.041 772 HD2 PRO 93 HD2 PRO 93 -1.094 4.796 8.097 773 HD3 PRO 93 HD3 PRO 93 0.200 5.882 7.528 774 H GLU 94 H GLU 94 -1.157 8.665 12.205 775 HA GLU 94 HA GLU 94 -3.450 7.024 13.091 776 HB2 GLU 94 HB2 GLU 94 -1.401 8.402 14.852 777 HB3 GLU 94 HB3 GLU 94 -2.842 7.564 15.424 778 HG2 GLU 94 HG2 GLU 94 -0.603 6.272 13.824 779 HG3 GLU 94 HG3 GLU 94 -0.814 6.121 15.565 780 H ILE 95 H ILE 95 -5.277 8.089 13.478 781 HA ILE 95 HA ILE 95 -5.336 10.950 12.928 782 HB ILE 95 HB ILE 95 -7.630 8.971 13.272 783 HG12 ILE 95 HG12 ILE 95 -6.575 10.251 10.719 784 HG13 ILE 95 HG13 ILE 95 -6.041 8.665 11.274 785 HG21 ILE 95 HG21 ILE 95 -8.222 11.372 13.763 786 HG22 ILE 95 HG22 ILE 95 -9.047 10.741 12.338 787 HG23 ILE 95 HG23 ILE 95 -7.654 11.806 12.150 788 HD11 ILE 95 HD11 ILE 95 -8.870 9.480 10.534 789 HD12 ILE 95 HD12 ILE 95 -8.463 7.944 11.298 790 HD13 ILE 95 HD13 ILE 95 -7.842 8.319 9.692 791 H ASP 96 H ASP 96 -5.399 12.414 14.432 792 HA ASP 96 HA ASP 96 -6.954 12.279 16.801 793 HB2 ASP 96 HB2 ASP 96 -5.041 12.386 18.434 794 HB3 ASP 96 HB3 ASP 96 -5.165 10.835 17.620 795 H ALA 97 H ALA 97 -5.308 14.269 18.270 796 HA ALA 97 HA ALA 97 -6.152 16.641 17.007 797 HB1 ALA 97 HB1 ALA 97 -3.783 16.619 18.855 798 HB2 ALA 97 HB2 ALA 97 -5.378 16.193 19.478 799 HB3 ALA 97 HB3 ALA 97 -5.108 17.779 18.756 800 H ALA 98 H ALA 98 -3.081 14.896 16.963 801 HA ALA 98 HA ALA 98 -2.311 16.345 14.529 802 HB1 ALA 98 HB1 ALA 98 -0.341 15.738 16.744 803 HB2 ALA 98 HB2 ALA 98 -1.091 17.319 16.521 804 HB3 ALA 98 HB3 ALA 98 -0.045 16.655 15.266 805 H VAL 99 H VAL 99 -1.488 15.003 12.975 806 HA VAL 99 HA VAL 99 -1.888 12.253 13.076 807 HB VAL 99 HB VAL 99 -1.641 13.553 10.981 808 HG11 VAL 99 HG11 VAL 99 0.469 14.326 10.177 809 HG12 VAL 99 HG12 VAL 99 1.344 13.496 11.463 810 HG13 VAL 99 HG13 VAL 99 0.343 14.898 11.840 811 HG21 VAL 99 HG21 VAL 99 -0.228 11.877 9.751 812 HG22 VAL 99 HG22 VAL 99 -1.394 11.128 10.840 813 HG23 VAL 99 HG23 VAL 99 0.303 11.239 11.308 814 H LYS 100 H LYS 100 -0.787 10.542 13.808 815 HA LYS 100 HA LYS 100 2.022 10.898 14.681 816 HB2 LYS 100 HB2 LYS 100 -0.213 9.566 16.213 817 HB3 LYS 100 HB3 LYS 100 1.490 9.393 16.628 818 HG2 LYS 100 HG2 LYS 100 0.232 12.128 16.323 819 HG3 LYS 100 HG3 LYS 100 0.114 11.245 17.842 820 HD2 LYS 100 HD2 LYS 100 2.775 11.691 16.473 821 HD3 LYS 100 HD3 LYS 100 2.096 12.880 17.583 822 HE2 LYS 100 HE2 LYS 100 2.608 9.966 18.276 823 HE3 LYS 100 HE3 LYS 100 3.648 11.312 18.732 824 HZ1 LYS 100 HZ1 LYS 100 1.594 12.301 19.784 825 HZ2 LYS 100 HZ2 LYS 100 2.259 10.942 20.558 826 HZ3 LYS 100 HZ3 LYS 100 0.869 10.780 19.595 827 H THR 101 H THR 101 3.384 9.177 14.375 828 HA THR 101 HA THR 101 2.510 7.169 12.478 829 HB THR 101 HB THR 101 4.870 6.465 12.482 830 HG1 THR 101 HG1 THR 101 5.334 6.883 14.646 831 HG21 THR 101 HG21 THR 101 4.659 8.125 10.905 832 HG22 THR 101 HG22 THR 101 5.810 8.903 11.984 833 HG23 THR 101 HG23 THR 101 4.107 9.339 12.062 834 H ALA 102 H ALA 102 2.631 4.939 12.775 835 HA ALA 102 HA ALA 102 3.176 3.813 15.394 836 HB1 ALA 102 HB1 ALA 102 0.954 2.710 15.559 837 HB2 ALA 102 HB2 ALA 102 0.401 3.675 14.190 838 HB3 ALA 102 HB3 ALA 102 0.853 4.465 15.701 839 H LEU 103 H LEU 103 4.346 2.064 14.985 840 HA LEU 103 HA LEU 103 4.486 0.901 12.386 841 HB2 LEU 103 HB2 LEU 103 5.670 0.014 15.021 842 HB3 LEU 103 HB3 LEU 103 5.968 -0.784 13.480 843 HG LEU 103 HG LEU 103 6.662 1.576 12.618 844 HD11 LEU 103 HD11 LEU 103 6.590 1.983 15.612 845 HD12 LEU 103 HD12 LEU 103 5.976 3.038 14.340 846 HD13 LEU 103 HD13 LEU 103 7.708 2.901 14.604 847 HD21 LEU 103 HD21 LEU 103 8.976 1.276 13.645 848 HD22 LEU 103 HD22 LEU 103 8.319 -0.160 12.860 849 HD23 LEU 103 HD23 LEU 103 8.290 -0.027 14.617 850 H GLN 104 H GLN 104 3.792 -0.995 11.597 851 HA GLN 104 HA GLN 104 1.891 -2.540 13.253 852 HB2 GLN 104 HB2 GLN 104 0.527 -2.950 11.299 853 HB3 GLN 104 HB3 GLN 104 0.816 -1.216 11.360 854 HG2 GLN 104 HG2 GLN 104 2.879 -1.820 9.796 855 HG3 GLN 104 HG3 GLN 104 1.933 -3.265 9.471 856 HE21 GLN 104 HE21 GLN 104 -0.639 -2.464 9.215 857 HE22 GLN 104 HE22 GLN 104 -0.809 -1.244 8.044 858 H ASP 105 H ASP 105 2.067 -4.777 13.190 859 HA ASP 105 HA ASP 105 4.616 -5.777 12.141 860 HB2 ASP 105 HB2 ASP 105 2.659 -7.079 14.041 861 HB3 ASP 105 HB3 ASP 105 4.257 -7.688 13.617 862 H VAL 106 H VAL 106 4.754 -7.052 10.432 863 HA VAL 106 HA VAL 106 2.429 -7.763 8.914 864 HB VAL 106 HB VAL 106 5.329 -8.662 8.591 865 HG11 VAL 106 HG11 VAL 106 3.683 -10.124 7.426 866 HG12 VAL 106 HG12 VAL 106 4.697 -9.234 6.293 867 HG13 VAL 106 HG13 VAL 106 3.040 -8.709 6.591 868 HG21 VAL 106 HG21 VAL 106 3.851 -6.521 7.023 869 HG22 VAL 106 HG22 VAL 106 5.582 -6.852 7.036 870 HG23 VAL 106 HG23 VAL 106 4.810 -6.145 8.455 871 H GLU 107 H GLU 107 1.110 -9.421 9.407 872 HA GLU 107 HA GLU 107 1.846 -11.553 11.182 873 HB2 GLU 107 HB2 GLU 107 -0.508 -10.755 10.907 874 HB3 GLU 107 HB3 GLU 107 -0.497 -11.370 9.253 875 HG2 GLU 107 HG2 GLU 107 -0.095 -13.655 10.081 876 HG3 GLU 107 HG3 GLU 107 -0.043 -13.061 11.740 877 H SER 108 H SER 108 1.371 -11.199 7.696 878 HA SER 108 HA SER 108 3.495 -12.788 6.876 879 HB2 SER 108 HB2 SER 108 0.920 -14.280 7.190 880 HB3 SER 108 HB3 SER 108 1.989 -14.676 5.853 881 HG SER 108 HG SER 108 3.117 -15.747 7.261 882 H ILE 109 H ILE 109 3.141 -13.504 4.495 883 HA ILE 109 HA ILE 109 1.527 -11.452 3.097 884 HB ILE 109 HB ILE 109 4.170 -12.674 2.199 885 HG12 ILE 109 HG12 ILE 109 3.552 -9.782 2.902 886 HG13 ILE 109 HG13 ILE 109 4.202 -10.916 4.085 887 HG21 ILE 109 HG21 ILE 109 2.233 -10.731 0.904 888 HG22 ILE 109 HG22 ILE 109 2.884 -12.224 0.228 889 HG23 ILE 109 HG23 ILE 109 3.928 -10.815 0.421 890 HD11 ILE 109 HD11 ILE 109 5.501 -9.930 1.537 891 HD12 ILE 109 HD12 ILE 109 6.076 -11.368 2.379 892 HD13 ILE 109 HD13 ILE 109 6.108 -9.801 3.188 893 H GLU 110 H GLU 110 -0.077 -12.286 1.839 894 HA GLU 110 HA GLU 110 0.090 -15.167 1.122 895 HB2 GLU 110 HB2 GLU 110 -2.364 -13.521 1.745 896 HB3 GLU 110 HB3 GLU 110 -2.381 -15.208 1.238 897 HG2 GLU 110 HG2 GLU 110 -1.028 -14.146 3.744 898 HG3 GLU 110 HG3 GLU 110 -2.581 -14.974 3.709 899 H LYS 111 H LYS 111 0.238 -15.597 -0.936 900 HA LYS 111 HA LYS 111 0.082 -13.600 -2.937 901 HB2 LYS 111 HB2 LYS 111 0.152 -16.611 -3.178 902 HB3 LYS 111 HB3 LYS 111 0.348 -15.487 -4.522 903 HG2 LYS 111 HG2 LYS 111 2.313 -14.493 -3.407 904 HG3 LYS 111 HG3 LYS 111 2.126 -15.629 -2.068 905 HD2 LYS 111 HD2 LYS 111 2.408 -17.519 -3.646 906 HD3 LYS 111 HD3 LYS 111 2.643 -16.362 -4.960 907 HE2 LYS 111 HE2 LYS 111 4.604 -15.438 -3.818 908 HE3 LYS 111 HE3 LYS 111 4.380 -16.573 -2.490 909 HZ1 LYS 111 HZ1 LYS 111 4.496 -18.349 -4.288 910 HZ2 LYS 111 HZ2 LYS 111 5.949 -17.578 -3.857 911 HZ3 LYS 111 HZ3 LYS 111 5.141 -17.142 -5.286 912 H LEU 112 H LEU 112 -1.494 -12.946 -4.186 913 HA LEU 112 HA LEU 112 -4.071 -14.398 -4.183 914 HB2 LEU 112 HB2 LEU 112 -3.437 -11.551 -3.833 915 HB3 LEU 112 HB3 LEU 112 -4.565 -11.794 -5.158 916 HG LEU 112 HG LEU 112 -5.946 -13.236 -3.557 917 HD11 LEU 112 HD11 LEU 112 -4.362 -11.832 -1.397 918 HD12 LEU 112 HD12 LEU 112 -3.958 -13.459 -1.941 919 HD13 LEU 112 HD13 LEU 112 -5.534 -13.136 -1.222 920 HD21 LEU 112 HD21 LEU 112 -6.521 -10.884 -4.149 921 HD22 LEU 112 HD22 LEU 112 -5.538 -10.322 -2.799 922 HD23 LEU 112 HD23 LEU 112 -6.988 -11.278 -2.496 923 H GLY 113 H GLY 113 -1.455 -13.124 -6.056 924 HA2 GLY 113 HA2 GLY 113 -0.813 -13.517 -8.185 925 HA3 GLY 113 HA3 GLY 113 -2.146 -14.644 -8.339 926 H VAL 114 H VAL 114 -2.742 -14.033 -10.369 927 HA VAL 114 HA VAL 114 -2.982 -11.408 -11.313 928 HB VAL 114 HB VAL 114 -4.352 -13.938 -12.291 929 HG11 VAL 114 HG11 VAL 114 -4.577 -12.761 -14.440 930 HG12 VAL 114 HG12 VAL 114 -3.876 -11.307 -13.731 931 HG13 VAL 114 HG13 VAL 114 -5.441 -11.895 -13.169 932 HG21 VAL 114 HG21 VAL 114 -2.462 -13.820 -13.999 933 HG22 VAL 114 HG22 VAL 114 -1.963 -14.224 -12.358 934 HG23 VAL 114 HG23 VAL 114 -1.722 -12.590 -12.975 935 H ASN 115 H ASN 115 -4.349 -9.886 -10.823 936 HA ASN 115 HA ASN 115 -7.197 -10.412 -10.419 937 HB2 ASN 115 HB2 ASN 115 -5.455 -8.988 -8.373 938 HB3 ASN 115 HB3 ASN 115 -7.198 -8.800 -8.458 939 HD21 ASN 115 HD21 ASN 115 -5.855 -9.889 -6.179 940 HD22 ASN 115 HD22 ASN 115 -6.342 -11.511 -6.012 941 H HIS 116 H HIS 116 -8.312 -8.150 -10.147 942 HA HIS 116 HA HIS 116 -7.399 -6.423 -12.301 943 HB2 HIS 116 HB2 HIS 116 -9.695 -6.132 -10.328 944 HB3 HIS 116 HB3 HIS 116 -9.388 -5.047 -11.685 945 HD2 HIS 116 HD2 HIS 116 -11.303 -8.276 -11.014 946 HE1 HIS 116 HE1 HIS 116 -10.759 -8.114 -15.197 947 HE2 HIS 116 HE2 HIS 116 -11.996 -9.291 -13.318 948 H VAL 117 H VAL 117 -6.032 -4.767 -12.010 949 HA VAL 117 HA VAL 117 -5.570 -3.792 -9.250 950 HB VAL 117 HB VAL 117 -3.464 -4.478 -11.339 951 HG11 VAL 117 HG11 VAL 117 -2.680 -2.604 -10.022 952 HG12 VAL 117 HG12 VAL 117 -1.880 -4.067 -9.462 953 HG13 VAL 117 HG13 VAL 117 -3.209 -3.379 -8.527 954 HG21 VAL 117 HG21 VAL 117 -2.811 -6.140 -9.445 955 HG22 VAL 117 HG22 VAL 117 -4.239 -6.523 -10.399 956 HG23 VAL 117 HG23 VAL 117 -4.418 -5.818 -8.796 957 H TYR 118 H TYR 118 -5.431 -1.643 -8.956 958 HA TYR 118 HA TYR 118 -5.155 0.196 -11.230 959 HB2 TYR 118 HB2 TYR 118 -7.313 0.488 -9.085 960 HB3 TYR 118 HB3 TYR 118 -7.073 1.494 -10.508 961 HD1 TYR 118 HD1 TYR 118 -8.103 -1.852 -9.337 962 HD2 TYR 118 HD2 TYR 118 -7.890 0.812 -12.669 963 HE1 TYR 118 HE1 TYR 118 -9.596 -3.359 -10.606 964 HE2 TYR 118 HE2 TYR 118 -9.387 -0.689 -13.972 965 HH TYR 118 HH TYR 118 -11.212 -3.111 -12.572 966 H ASP 119 H ASP 119 -4.360 2.330 -10.543 967 HA ASP 119 HA ASP 119 -3.826 2.811 -7.751 968 HB2 ASP 119 HB2 ASP 119 -1.513 2.531 -7.635 969 HB3 ASP 119 HB3 ASP 119 -1.974 1.208 -8.696 970 H ILE 120 H ILE 120 -2.293 4.864 -7.544 971 HA ILE 120 HA ILE 120 -2.824 6.701 -9.775 972 HB ILE 120 HB ILE 120 -3.860 8.400 -8.558 973 HG12 ILE 120 HG12 ILE 120 -2.336 8.696 -6.668 974 HG13 ILE 120 HG13 ILE 120 -3.964 8.561 -6.047 975 HG21 ILE 120 HG21 ILE 120 -5.029 6.252 -6.836 976 HG22 ILE 120 HG22 ILE 120 -5.154 6.112 -8.580 977 HG23 ILE 120 HG23 ILE 120 -5.824 7.523 -7.767 978 HD11 ILE 120 HD11 ILE 120 -2.071 6.188 -6.168 979 HD12 ILE 120 HD12 ILE 120 -3.621 6.277 -5.342 980 HD13 ILE 120 HD13 ILE 120 -2.251 7.214 -4.747 981 H GLU 121 H GLU 121 -1.415 8.467 -10.025 982 HA GLU 121 HA GLU 121 1.216 8.033 -8.807 983 HB2 GLU 121 HB2 GLU 121 0.308 9.478 -11.289 984 HB3 GLU 121 HB3 GLU 121 1.959 9.600 -10.668 985 HG2 GLU 121 HG2 GLU 121 2.267 7.202 -10.890 986 HG3 GLU 121 HG3 GLU 121 0.571 6.978 -11.308 987 H VAL 122 H VAL 122 2.463 9.875 -8.024 988 HA VAL 122 HA VAL 122 0.762 12.170 -7.238 989 HB VAL 122 HB VAL 122 1.921 12.271 -5.077 990 HG11 VAL 122 HG11 VAL 122 0.761 10.354 -4.060 991 HG12 VAL 122 HG12 VAL 122 0.622 9.587 -5.642 992 HG13 VAL 122 HG13 VAL 122 -0.243 11.088 -5.310 993 HG21 VAL 122 HG21 VAL 122 4.003 11.154 -5.582 994 HG22 VAL 122 HG22 VAL 122 3.162 9.679 -6.051 995 HG23 VAL 122 HG23 VAL 122 3.179 10.187 -4.366 996 H GLU 123 H GLU 123 1.689 14.146 -7.048 997 HA GLU 123 HA GLU 123 3.692 14.700 -8.965 998 HB2 GLU 123 HB2 GLU 123 2.348 16.477 -6.949 999 HB3 GLU 123 HB3 GLU 123 3.433 17.062 -8.213 1000 HG2 GLU 123 HG2 GLU 123 1.969 15.929 -9.900 1001 HG3 GLU 123 HG3 GLU 123 0.849 15.541 -8.596 1002 H HIS 124 H HIS 124 3.937 14.759 -5.382 1003 HA HIS 124 HA HIS 124 6.452 16.172 -5.517 1004 HB2 HIS 124 HB2 HIS 124 4.800 15.099 -3.264 1005 HB3 HIS 124 HB3 HIS 124 6.371 15.841 -2.995 1006 HD2 HIS 124 HD2 HIS 124 6.335 18.661 -3.119 1007 HE1 HIS 124 HE1 HIS 124 2.338 19.084 -4.409 1008 HE2 HIS 124 HE2 HIS 124 4.398 20.339 -3.614 1009 H ASN 125 H ASN 125 5.814 13.107 -3.730 1010 HA ASN 125 HA ASN 125 8.690 12.501 -4.062 1011 HB2 ASN 125 HB2 ASN 125 7.627 12.832 -1.732 1012 HB3 ASN 125 HB3 ASN 125 6.945 11.221 -1.979 1013 HD21 ASN 125 HD21 ASN 125 8.305 10.246 -0.329 1014 HD22 ASN 125 HD22 ASN 125 9.975 10.047 -0.556 1015 H HIS 126 H HIS 126 5.880 11.537 -5.429 1016 HA HIS 126 HA HIS 126 5.245 9.679 -6.668 1017 HB2 HIS 126 HB2 HIS 126 8.185 8.944 -6.445 1018 HB3 HIS 126 HB3 HIS 126 7.030 8.216 -7.560 1019 HD2 HIS 126 HD2 HIS 126 9.436 11.177 -7.488 1020 HE1 HIS 126 HE1 HIS 126 6.693 12.006 -10.587 1021 HE2 HIS 126 HE2 HIS 126 8.898 12.702 -9.537 1022 H ASN 127 H ASN 127 5.026 9.608 -3.771 1023 HA ASN 127 HA ASN 127 4.946 6.678 -3.358 1024 HB2 ASN 127 HB2 ASN 127 5.902 8.757 -1.378 1025 HB3 ASN 127 HB3 ASN 127 5.482 7.105 -0.936 1026 HD21 ASN 127 HD21 ASN 127 7.978 9.102 -2.235 1027 HD22 ASN 127 HD22 ASN 127 9.073 7.859 -2.603 1028 H PHE 128 H PHE 128 3.232 5.948 -1.946 1029 HA PHE 128 HA PHE 128 1.370 7.908 -0.904 1030 HB2 PHE 128 HB2 PHE 128 -0.605 7.160 -2.128 1031 HB3 PHE 128 HB3 PHE 128 0.612 7.771 -3.244 1032 HD1 PHE 128 HD1 PHE 128 -1.165 4.791 -2.030 1033 HD2 PHE 128 HD2 PHE 128 1.847 6.239 -4.729 1034 HE1 PHE 128 HE1 PHE 128 -1.234 2.640 -3.260 1035 HE2 PHE 128 HE2 PHE 128 1.774 4.082 -5.959 1036 HZ PHE 128 HZ PHE 128 0.236 2.288 -5.224 1037 H VAL 129 H VAL 129 -0.471 6.916 0.285 1038 HA VAL 129 HA VAL 129 0.441 4.417 1.586 1039 HB VAL 129 HB VAL 129 -1.413 6.574 2.662 1040 HG11 VAL 129 HG11 VAL 129 -1.925 4.432 3.679 1041 HG12 VAL 129 HG12 VAL 129 -1.029 5.397 4.852 1042 HG13 VAL 129 HG13 VAL 129 -0.215 4.108 3.964 1043 HG21 VAL 129 HG21 VAL 129 1.376 5.971 3.664 1044 HG22 VAL 129 HG22 VAL 129 0.401 7.418 3.921 1045 HG23 VAL 129 HG23 VAL 129 1.119 7.109 2.342 1046 H ALA 130 H ALA 130 -0.678 2.637 1.148 1047 HA ALA 130 HA ALA 130 -3.512 2.866 0.364 1048 HB1 ALA 130 HB1 ALA 130 -2.042 1.923 -1.386 1049 HB2 ALA 130 HB2 ALA 130 -3.256 0.774 -0.824 1050 HB3 ALA 130 HB3 ALA 130 -1.585 0.632 -0.272 1051 H ASN 131 H ASN 131 -4.891 2.244 1.867 1052 HA ASN 131 HA ASN 131 -5.759 1.332 3.769 1053 HB2 ASN 131 HB2 ASN 131 -5.632 -0.629 2.164 1054 HB3 ASN 131 HB3 ASN 131 -4.179 -1.129 3.024 1055 HD21 ASN 131 HD21 ASN 131 -6.660 -2.681 2.962 1056 HD22 ASN 131 HD22 ASN 131 -7.246 -2.756 4.552 1057 H GLY 132 H GLY 132 -3.459 2.877 4.235 1058 HA2 GLY 132 HA2 GLY 132 -2.289 3.454 6.155 1059 HA3 GLY 132 HA3 GLY 132 -2.693 1.890 6.842 1060 H LEU 133 H LEU 133 -1.361 1.328 3.804 1061 HA LEU 133 HA LEU 133 1.318 0.874 4.985 1062 HB2 LEU 133 HB2 LEU 133 0.154 -1.209 4.355 1063 HB3 LEU 133 HB3 LEU 133 -0.040 -0.627 2.708 1064 HG LEU 133 HG LEU 133 2.476 -0.504 2.523 1065 HD11 LEU 133 HD11 LEU 133 2.362 -1.968 5.182 1066 HD12 LEU 133 HD12 LEU 133 3.006 -0.349 4.921 1067 HD13 LEU 133 HD13 LEU 133 3.814 -1.742 4.205 1068 HD21 LEU 133 HD21 LEU 133 1.153 -3.153 3.169 1069 HD22 LEU 133 HD22 LEU 133 2.773 -3.034 2.485 1070 HD23 LEU 133 HD23 LEU 133 1.387 -2.429 1.577 1071 H LEU 134 H LEU 134 2.893 2.157 4.283 1072 HA LEU 134 HA LEU 134 2.617 3.916 2.021 1073 HB2 LEU 134 HB2 LEU 134 4.012 4.208 4.229 1074 HB3 LEU 134 HB3 LEU 134 5.238 3.310 3.351 1075 HG LEU 134 HG LEU 134 5.727 5.635 3.036 1076 HD11 LEU 134 HD11 LEU 134 5.864 5.870 0.727 1077 HD12 LEU 134 HD12 LEU 134 4.327 5.056 0.444 1078 HD13 LEU 134 HD13 LEU 134 5.737 4.127 0.949 1079 HD21 LEU 134 HD21 LEU 134 3.417 6.415 3.664 1080 HD22 LEU 134 HD22 LEU 134 2.916 6.057 2.010 1081 HD23 LEU 134 HD23 LEU 134 4.134 7.294 2.313 1082 H VAL 135 H VAL 135 3.094 3.506 -0.032 1083 HA VAL 135 HA VAL 135 4.956 1.291 -0.677 1084 HB VAL 135 HB VAL 135 3.579 0.764 -2.664 1085 HG11 VAL 135 HG11 VAL 135 2.184 0.706 0.022 1086 HG12 VAL 135 HG12 VAL 135 3.172 -0.564 -0.698 1087 HG13 VAL 135 HG13 VAL 135 1.601 -0.170 -1.394 1088 HG21 VAL 135 HG21 VAL 135 1.682 2.818 -1.464 1089 HG22 VAL 135 HG22 VAL 135 1.262 1.717 -2.776 1090 HG23 VAL 135 HG23 VAL 135 2.508 2.942 -3.018 1091 H HIS 136 H HIS 136 6.099 1.474 -2.686 1092 HA HIS 136 HA HIS 136 6.690 4.263 -3.379 1093 HB2 HIS 136 HB2 HIS 136 8.612 2.869 -2.676 1094 HB3 HIS 136 HB3 HIS 136 8.251 1.716 -3.947 1095 HD2 HIS 136 HD2 HIS 136 9.557 2.316 -6.330 1096 HE1 HIS 136 HE1 HIS 136 10.553 6.326 -5.465 1097 HE2 HIS 136 HE2 HIS 136 10.819 4.449 -7.152 1098 H ASN 137 H ASN 137 5.952 5.138 -5.194 1099 HA ASN 137 HA ASN 137 4.858 3.396 -7.292 1100 HB2 ASN 137 HB2 ASN 137 3.322 5.104 -6.470 1101 HB3 ASN 137 HB3 ASN 137 4.498 6.368 -6.788 1102 HD21 ASN 137 HD21 ASN 137 2.360 4.000 -8.395 1103 HD22 ASN 137 HD22 ASN 137 2.355 4.788 -9.899 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 3.544 0.806 -6.235 2 H2 GLU 1 HT2 GLU 1 3.196 -0.855 -6.337 3 H3 GLU 1 HT3 GLU 1 1.937 0.273 -6.186 4 HA GLU 1 HA GLU 1 3.102 1.200 -8.387 5 HB2 GLU 1 HB2 GLU 1 4.683 -0.784 -8.283 6 HB3 GLU 1 HB3 GLU 1 3.289 -1.816 -8.598 7 HG2 GLU 1 HG2 GLU 1 2.848 -0.575 -10.690 8 HG3 GLU 1 HG3 GLU 1 4.250 0.444 -10.381 9 H ALA 2 H ALA 2 1.355 -1.838 -7.661 10 HA ALA 2 HA ALA 2 -1.059 -0.660 -8.874 11 HB1 ALA 2 HB1 ALA 2 -0.551 -3.560 -9.283 12 HB2 ALA 2 HB2 ALA 2 0.361 -2.422 -10.275 13 HB3 ALA 2 HB3 ALA 2 -1.400 -2.405 -10.309 14 H LEU 3 H LEU 3 -2.915 -1.034 -7.813 15 HA LEU 3 HA LEU 3 -2.819 -2.864 -5.482 16 HB2 LEU 3 HB2 LEU 3 -4.006 -0.114 -5.848 17 HB3 LEU 3 HB3 LEU 3 -4.773 -1.230 -4.730 18 HG LEU 3 HG LEU 3 -3.166 0.276 -3.580 19 HD11 LEU 3 HD11 LEU 3 -2.215 -2.590 -3.571 20 HD12 LEU 3 HD12 LEU 3 -3.602 -1.971 -2.687 21 HD13 LEU 3 HD13 LEU 3 -1.983 -1.395 -2.301 22 HD21 LEU 3 HD21 LEU 3 -0.894 -1.156 -4.979 23 HD22 LEU 3 HD22 LEU 3 -0.841 0.340 -4.046 24 HD23 LEU 3 HD23 LEU 3 -1.577 0.327 -5.648 25 H THR 4 H THR 4 -4.584 -4.250 -5.179 26 HA THR 4 HA THR 4 -5.942 -5.013 -7.532 27 HB THR 4 HB THR 4 -7.285 -6.518 -6.113 28 HG1 THR 4 HG1 THR 4 -7.683 -5.832 -4.186 29 HG21 THR 4 HG21 THR 4 -4.863 -6.989 -6.712 30 HG22 THR 4 HG22 THR 4 -5.474 -7.844 -5.294 31 HG23 THR 4 HG23 THR 4 -4.440 -6.429 -5.093 32 H GLY 5 H GLY 5 -8.278 -4.999 -7.957 33 HA2 GLY 5 HA2 GLY 5 -9.325 -2.448 -8.044 34 HA3 GLY 5 HA3 GLY 5 -10.261 -3.909 -8.311 35 H ASP 6 H ASP 6 -10.066 -5.028 -5.706 36 HA ASP 6 HA ASP 6 -11.994 -3.334 -4.331 37 HB2 ASP 6 HB2 ASP 6 -12.282 -5.192 -2.773 38 HB3 ASP 6 HB3 ASP 6 -12.421 -5.727 -4.444 39 H ALA 7 H ALA 7 -8.704 -3.305 -4.374 40 HA ALA 7 HA ALA 7 -8.035 -3.004 -1.614 41 HB1 ALA 7 HB1 ALA 7 -6.631 -1.813 -4.004 42 HB2 ALA 7 HB2 ALA 7 -6.411 -3.485 -3.488 43 HB3 ALA 7 HB3 ALA 7 -5.936 -2.162 -2.425 44 H LEU 8 H LEU 8 -7.441 -0.950 -0.592 45 HA LEU 8 HA LEU 8 -8.836 1.385 -1.732 46 HB2 LEU 8 HB2 LEU 8 -9.730 1.964 0.471 47 HB3 LEU 8 HB3 LEU 8 -10.357 0.417 -0.097 48 HG LEU 8 HG LEU 8 -7.866 0.415 1.633 49 HD11 LEU 8 HD11 LEU 8 -10.692 0.662 2.704 50 HD12 LEU 8 HD12 LEU 8 -9.425 1.881 2.845 51 HD13 LEU 8 HD13 LEU 8 -9.254 0.331 3.670 52 HD21 LEU 8 HD21 LEU 8 -8.496 -1.747 0.810 53 HD22 LEU 8 HD22 LEU 8 -10.204 -1.449 1.115 54 HD23 LEU 8 HD23 LEU 8 -9.102 -1.711 2.463 55 H ILE 9 H ILE 9 -7.970 3.326 -1.429 56 HA ILE 9 HA ILE 9 -5.385 3.475 -0.024 57 HB ILE 9 HB ILE 9 -6.172 4.919 -2.586 58 HG12 ILE 9 HG12 ILE 9 -4.081 2.734 -2.189 59 HG13 ILE 9 HG13 ILE 9 -5.707 2.418 -2.787 60 HG21 ILE 9 HG21 ILE 9 -3.428 4.789 -1.288 61 HG22 ILE 9 HG22 ILE 9 -4.552 6.107 -0.961 62 HG23 ILE 9 HG23 ILE 9 -3.953 5.845 -2.596 63 HD11 ILE 9 HD11 ILE 9 -3.920 4.461 -4.126 64 HD12 ILE 9 HD12 ILE 9 -5.346 3.659 -4.781 65 HD13 ILE 9 HD13 ILE 9 -3.849 2.753 -4.560 66 H LEU 10 H LEU 10 -4.975 5.231 1.229 67 HA LEU 10 HA LEU 10 -7.173 6.734 2.252 68 HB2 LEU 10 HB2 LEU 10 -4.178 6.947 2.595 69 HB3 LEU 10 HB3 LEU 10 -5.313 8.022 3.407 70 HG LEU 10 HG LEU 10 -5.512 5.008 3.608 71 HD11 LEU 10 HD11 LEU 10 -3.291 6.002 4.466 72 HD12 LEU 10 HD12 LEU 10 -4.235 5.077 5.631 73 HD13 LEU 10 HD13 LEU 10 -4.258 6.838 5.681 74 HD21 LEU 10 HD21 LEU 10 -7.554 6.052 4.284 75 HD22 LEU 10 HD22 LEU 10 -6.720 7.395 5.055 76 HD23 LEU 10 HD23 LEU 10 -6.697 5.805 5.803 77 H SER 11 H SER 11 -8.007 8.622 1.530 78 HA SER 11 HA SER 11 -6.369 10.274 -0.278 79 HB2 SER 11 HB2 SER 11 -8.662 10.924 -1.248 80 HB3 SER 11 HB3 SER 11 -7.983 9.379 -1.710 81 HG SER 11 HG SER 11 -9.761 9.746 0.474 82 H ASP 12 H ASP 12 -7.902 12.510 -0.436 83 HA ASP 12 HA ASP 12 -7.307 13.855 1.937 84 HB2 ASP 12 HB2 ASP 12 -7.532 15.038 -0.158 85 HB3 ASP 12 HB3 ASP 12 -9.226 14.604 -0.306 86 H ARG 13 H ARG 13 -10.328 12.424 0.809 87 HA ARG 13 HA ARG 13 -11.883 13.226 3.086 88 HB2 ARG 13 HB2 ARG 13 -12.940 12.786 0.914 89 HB3 ARG 13 HB3 ARG 13 -12.419 11.107 0.991 90 HG2 ARG 13 HG2 ARG 13 -13.847 10.645 2.856 91 HG3 ARG 13 HG3 ARG 13 -14.201 12.357 3.094 92 HD2 ARG 13 HD2 ARG 13 -16.066 11.221 1.943 93 HD3 ARG 13 HD3 ARG 13 -15.328 12.442 0.912 94 HE ARG 13 HE ARG 13 -14.113 9.896 0.444 95 HH11 ARG 13 HH11 ARG 13 -17.108 11.643 -0.167 96 HH12 ARG 13 HH12 ARG 13 -17.459 10.787 -1.631 97 HH21 ARG 13 HH21 ARG 13 -14.588 8.855 -1.526 98 HH22 ARG 13 HH22 ARG 13 -16.042 9.217 -2.389 99 H GLY 14 H GLY 14 -9.977 10.331 2.259 100 HA2 GLY 14 HA2 GLY 14 -9.077 9.361 4.506 101 HA3 GLY 14 HA3 GLY 14 -10.781 9.047 4.803 102 H TRP 15 H TRP 15 -10.165 6.783 4.990 103 HA TRP 15 HA TRP 15 -8.967 5.233 2.947 104 HB2 TRP 15 HB2 TRP 15 -10.604 4.678 5.388 105 HB3 TRP 15 HB3 TRP 15 -10.561 3.398 4.191 106 HD1 TRP 15 HD1 TRP 15 -7.652 3.295 3.251 107 HE1 TRP 15 HE1 TRP 15 -5.714 2.743 4.862 108 HE3 TRP 15 HE3 TRP 15 -9.837 4.468 7.726 109 HZ2 TRP 15 HZ2 TRP 15 -5.163 2.783 7.657 110 HZ3 TRP 15 HZ3 TRP 15 -8.575 4.194 9.846 111 HH2 TRP 15 HH2 TRP 15 -6.242 3.354 9.815 112 H LEU 16 H LEU 16 -9.703 5.034 0.911 113 HA LEU 16 HA LEU 16 -12.488 4.209 0.527 114 HB2 LEU 16 HB2 LEU 16 -11.521 6.836 -0.183 115 HB3 LEU 16 HB3 LEU 16 -11.899 5.974 -1.660 116 HG LEU 16 HG LEU 16 -13.863 7.219 -0.908 117 HD11 LEU 16 HD11 LEU 16 -14.073 4.811 -1.851 118 HD12 LEU 16 HD12 LEU 16 -15.494 5.551 -1.120 119 HD13 LEU 16 HD13 LEU 16 -14.549 4.372 -0.213 120 HD21 LEU 16 HD21 LEU 16 -14.797 7.138 1.239 121 HD22 LEU 16 HD22 LEU 16 -13.078 7.019 1.606 122 HD23 LEU 16 HD23 LEU 16 -14.083 5.569 1.609 123 H ARG 17 H ARG 17 -12.884 3.125 -1.511 124 HA ARG 17 HA ARG 17 -10.847 1.329 -2.219 125 HB2 ARG 17 HB2 ARG 17 -13.234 0.797 -2.501 126 HB3 ARG 17 HB3 ARG 17 -13.355 1.989 -3.790 127 HG2 ARG 17 HG2 ARG 17 -11.916 0.727 -5.230 128 HG3 ARG 17 HG3 ARG 17 -11.383 -0.309 -3.908 129 HD2 ARG 17 HD2 ARG 17 -14.261 -0.193 -4.816 130 HD3 ARG 17 HD3 ARG 17 -13.097 -1.323 -5.502 131 HE ARG 17 HE ARG 17 -12.918 -1.636 -2.739 132 HH11 ARG 17 HH11 ARG 17 -15.409 -2.038 -5.188 133 HH12 ARG 17 HH12 ARG 17 -16.244 -3.276 -4.310 134 HH21 ARG 17 HH21 ARG 17 -14.047 -3.244 -1.622 135 HH22 ARG 17 HH22 ARG 17 -15.474 -3.953 -2.303 136 H ILE 18 H ILE 18 -9.564 1.098 -4.005 137 HA ILE 18 HA ILE 18 -8.100 3.227 -4.875 138 HB ILE 18 HB ILE 18 -7.316 1.734 -6.758 139 HG12 ILE 18 HG12 ILE 18 -8.151 -0.710 -6.490 140 HG13 ILE 18 HG13 ILE 18 -9.520 -0.043 -5.618 141 HG21 ILE 18 HG21 ILE 18 -6.145 1.622 -4.691 142 HG22 ILE 18 HG22 ILE 18 -6.470 -0.049 -5.132 143 HG23 ILE 18 HG23 ILE 18 -7.455 0.748 -3.906 144 HD11 ILE 18 HD11 ILE 18 -9.055 1.328 -8.189 145 HD12 ILE 18 HD12 ILE 18 -10.523 0.607 -7.536 146 HD13 ILE 18 HD13 ILE 18 -9.350 -0.399 -8.361 147 H ASP 19 H ASP 19 -11.176 2.234 -6.187 148 HA ASP 19 HA ASP 19 -10.763 3.960 -8.531 149 HB2 ASP 19 HB2 ASP 19 -11.533 1.708 -9.010 150 HB3 ASP 19 HB3 ASP 19 -12.972 1.954 -8.017 151 H ASP 20 H ASP 20 -11.457 4.748 -5.645 152 HA ASP 20 HA ASP 20 -14.000 6.059 -5.876 153 HB2 ASP 20 HB2 ASP 20 -13.257 5.181 -3.724 154 HB3 ASP 20 HB3 ASP 20 -11.868 6.260 -3.746 155 HA PRO 21 HA PRO 21 -12.463 9.742 -8.002 156 HB2 PRO 21 HB2 PRO 21 -14.465 11.163 -6.301 157 HB3 PRO 21 HB3 PRO 21 -14.194 11.259 -8.056 158 HG2 PRO 21 HG2 PRO 21 -16.237 9.907 -7.154 159 HG3 PRO 21 HG3 PRO 21 -15.242 9.227 -8.459 160 HD2 PRO 21 HD2 PRO 21 -15.262 8.500 -5.546 161 HD3 PRO 21 HD3 PRO 21 -15.126 7.442 -6.975 162 H THR 22 H THR 22 -12.813 9.682 -4.474 163 HA THR 22 HA THR 22 -11.582 12.106 -3.830 164 HB THR 22 HB THR 22 -11.325 9.612 -2.123 165 HG1 THR 22 HG1 THR 22 -13.461 11.489 -2.294 166 HG21 THR 22 HG21 THR 22 -10.925 11.061 -0.408 167 HG22 THR 22 HG22 THR 22 -11.941 12.322 -1.082 168 HG23 THR 22 HG23 THR 22 -10.306 12.100 -1.685 169 H LEU 23 H LEU 23 -10.033 8.905 -4.306 170 HA LEU 23 HA LEU 23 -7.422 10.157 -3.948 171 HB2 LEU 23 HB2 LEU 23 -6.423 8.000 -4.122 172 HB3 LEU 23 HB3 LEU 23 -7.816 7.845 -3.072 173 HG LEU 23 HG LEU 23 -8.353 7.310 -5.986 174 HD11 LEU 23 HD11 LEU 23 -6.036 6.239 -5.303 175 HD12 LEU 23 HD12 LEU 23 -7.213 5.311 -6.216 176 HD13 LEU 23 HD13 LEU 23 -7.050 5.054 -4.482 177 HD21 LEU 23 HD21 LEU 23 -9.919 5.773 -5.138 178 HD22 LEU 23 HD22 LEU 23 -9.927 7.032 -3.908 179 HD23 LEU 23 HD23 LEU 23 -9.036 5.539 -3.631 180 H GLN 24 H GLN 24 -9.525 9.303 -6.556 181 HA GLN 24 HA GLN 24 -7.544 9.234 -8.596 182 HB2 GLN 24 HB2 GLN 24 -10.536 9.588 -8.736 183 HB3 GLN 24 HB3 GLN 24 -9.497 9.428 -10.154 184 HG2 GLN 24 HG2 GLN 24 -8.640 7.262 -9.255 185 HG3 GLN 24 HG3 GLN 24 -9.747 7.418 -7.895 186 HE21 GLN 24 HE21 GLN 24 -9.734 5.266 -9.806 187 HE22 GLN 24 HE22 GLN 24 -11.217 5.262 -10.619 188 H GLU 25 H GLU 25 -9.582 11.898 -7.316 189 HA GLU 25 HA GLU 25 -7.997 13.730 -9.023 190 HB2 GLU 25 HB2 GLU 25 -9.944 15.221 -9.230 191 HB3 GLU 25 HB3 GLU 25 -10.229 13.635 -9.943 192 HG2 GLU 25 HG2 GLU 25 -11.570 12.943 -8.110 193 HG3 GLU 25 HG3 GLU 25 -11.076 14.319 -7.118 194 H CYS 26 H CYS 26 -8.644 13.014 -5.745 195 HA CYS 26 HA CYS 26 -7.839 15.769 -5.025 196 HB2 CYS 26 HB2 CYS 26 -9.484 13.890 -3.291 197 HB3 CYS 26 HB3 CYS 26 -8.899 15.476 -2.846 198 HG CYS 26 HG CYS 26 -10.703 16.535 -4.162 199 H ARG 27 H ARG 27 -6.610 15.915 -3.015 200 HA ARG 27 HA ARG 27 -4.175 14.639 -3.331 201 HB2 ARG 27 HB2 ARG 27 -5.242 15.995 -0.853 202 HB3 ARG 27 HB3 ARG 27 -3.558 15.596 -1.146 203 HG2 ARG 27 HG2 ARG 27 -3.365 17.662 -2.082 204 HG3 ARG 27 HG3 ARG 27 -4.197 17.001 -3.479 205 HD2 ARG 27 HD2 ARG 27 -5.233 19.109 -2.686 206 HD3 ARG 27 HD3 ARG 27 -6.361 17.766 -2.576 207 HE ARG 27 HE ARG 27 -5.375 17.752 -0.092 208 HH11 ARG 27 HH11 ARG 27 -6.395 20.503 -2.037 209 HH12 ARG 27 HH12 ARG 27 -6.820 21.464 -0.661 210 HH21 ARG 27 HH21 ARG 27 -5.928 19.052 1.668 211 HH22 ARG 27 HH22 ARG 27 -6.558 20.646 1.421 212 H VAL 28 H VAL 28 -3.022 13.091 -2.192 213 HA VAL 28 HA VAL 28 -4.570 11.341 -0.379 214 HB VAL 28 HB VAL 28 -3.446 9.363 -1.365 215 HG11 VAL 28 HG11 VAL 28 -4.681 9.530 -3.637 216 HG12 VAL 28 HG12 VAL 28 -5.165 11.138 -3.098 217 HG13 VAL 28 HG13 VAL 28 -5.632 9.720 -2.166 218 HG21 VAL 28 HG21 VAL 28 -1.448 10.300 -2.327 219 HG22 VAL 28 HG22 VAL 28 -2.370 11.454 -3.289 220 HG23 VAL 28 HG23 VAL 28 -2.418 9.737 -3.689 221 H LEU 29 H LEU 29 -3.262 10.027 1.075 222 HA LEU 29 HA LEU 29 -1.224 11.598 2.309 223 HB2 LEU 29 HB2 LEU 29 -2.212 8.801 2.882 224 HB3 LEU 29 HB3 LEU 29 -1.027 9.646 3.875 225 HG LEU 29 HG LEU 29 -3.782 10.765 3.256 226 HD11 LEU 29 HD11 LEU 29 -4.569 9.910 5.318 227 HD12 LEU 29 HD12 LEU 29 -2.945 9.515 5.883 228 HD13 LEU 29 HD13 LEU 29 -3.694 8.554 4.612 229 HD21 LEU 29 HD21 LEU 29 -2.329 12.544 3.923 230 HD22 LEU 29 HD22 LEU 29 -1.512 11.541 5.116 231 HD23 LEU 29 HD23 LEU 29 -3.160 12.094 5.412 232 H SER 30 H SER 30 0.927 11.279 2.516 233 HA SER 30 HA SER 30 2.304 9.027 1.299 234 HB2 SER 30 HB2 SER 30 3.605 10.333 -0.261 235 HB3 SER 30 HB3 SER 30 1.901 10.617 -0.602 236 HG SER 30 HG SER 30 3.800 12.272 0.661 237 H TYR 31 H TYR 31 4.773 9.371 1.579 238 HA TYR 31 HA TYR 31 5.187 10.723 4.175 239 HB2 TYR 31 HB2 TYR 31 5.601 8.194 3.999 240 HB3 TYR 31 HB3 TYR 31 6.974 8.606 2.970 241 HD1 TYR 31 HD1 TYR 31 5.628 8.688 6.381 242 HD2 TYR 31 HD2 TYR 31 8.886 9.887 3.855 243 HE1 TYR 31 HE1 TYR 31 6.992 9.201 8.387 244 HE2 TYR 31 HE2 TYR 31 10.253 10.396 5.860 245 HH TYR 31 HH TYR 31 8.893 10.509 9.030 246 H ASN 32 H ASN 32 5.957 12.692 3.800 247 HA ASN 32 HA ASN 32 7.553 13.264 1.488 248 HB2 ASN 32 HB2 ASN 32 6.281 14.817 3.659 249 HB3 ASN 32 HB3 ASN 32 7.788 15.500 3.059 250 HD21 ASN 32 HD21 ASN 32 7.371 16.996 1.449 251 HD22 ASN 32 HD22 ASN 32 6.162 16.849 0.262 252 H GLU 33 H GLU 33 9.416 12.178 1.527 253 HA GLU 33 HA GLU 33 11.110 11.798 3.748 254 HB2 GLU 33 HB2 GLU 33 11.699 11.894 0.785 255 HB3 GLU 33 HB3 GLU 33 12.908 11.466 1.996 256 HG2 GLU 33 HG2 GLU 33 11.480 9.622 2.784 257 HG3 GLU 33 HG3 GLU 33 10.260 10.046 1.584 258 H SER 34 H SER 34 10.574 14.547 1.698 259 HA SER 34 HA SER 34 12.948 16.002 2.048 260 HB2 SER 34 HB2 SER 34 11.215 16.581 0.389 261 HB3 SER 34 HB3 SER 34 10.113 16.990 1.697 262 HG SER 34 HG SER 34 11.431 18.679 2.270 263 H THR 35 H THR 35 9.922 15.965 3.960 264 HA THR 35 HA THR 35 11.259 17.590 6.046 265 HB THR 35 HB THR 35 8.985 18.115 6.859 266 HG1 THR 35 HG1 THR 35 7.264 17.510 5.415 267 HG21 THR 35 HG21 THR 35 8.284 19.435 4.808 268 HG22 THR 35 HG22 THR 35 9.608 18.649 3.949 269 HG23 THR 35 HG23 THR 35 9.949 19.687 5.333 270 H GLN 36 H GLN 36 10.524 14.391 5.447 271 HA GLN 36 HA GLN 36 10.440 12.491 6.714 272 HB2 GLN 36 HB2 GLN 36 11.508 14.292 8.916 273 HB3 GLN 36 HB3 GLN 36 11.516 12.531 8.935 274 HG2 GLN 36 HG2 GLN 36 13.685 13.052 8.200 275 HG3 GLN 36 HG3 GLN 36 12.835 12.748 6.687 276 HE21 GLN 36 HE21 GLN 36 13.905 14.226 5.298 277 HE22 GLN 36 HE22 GLN 36 13.959 15.901 5.576 278 H GLN 37 H GLN 37 8.082 14.173 6.524 279 HA GLN 37 HA GLN 37 6.606 13.166 8.860 280 HB2 GLN 37 HB2 GLN 37 6.567 16.024 7.879 281 HB3 GLN 37 HB3 GLN 37 5.343 15.346 8.953 282 HG2 GLN 37 HG2 GLN 37 6.993 14.865 10.651 283 HG3 GLN 37 HG3 GLN 37 8.311 15.297 9.565 284 HE21 GLN 37 HE21 GLN 37 7.582 16.536 12.208 285 HE22 GLN 37 HE22 GLN 37 7.329 18.182 11.880 286 H TRP 38 H TRP 38 4.240 13.092 8.498 287 HA TRP 38 HA TRP 38 3.596 12.104 5.889 288 HB2 TRP 38 HB2 TRP 38 1.865 12.774 8.281 289 HB3 TRP 38 HB3 TRP 38 1.226 12.101 6.785 290 HD1 TRP 38 HD1 TRP 38 2.671 11.112 10.018 291 HE1 TRP 38 HE1 TRP 38 3.218 8.592 10.033 292 HE3 TRP 38 HE3 TRP 38 2.258 10.082 5.040 293 HZ2 TRP 38 HZ2 TRP 38 3.469 6.434 8.184 294 HZ3 TRP 38 HZ3 TRP 38 2.662 7.786 4.190 295 HH2 TRP 38 HH2 TRP 38 3.267 5.962 5.758 296 H GLU 39 H GLU 39 2.651 13.101 4.191 297 HA GLU 39 HA GLU 39 1.435 15.743 4.514 298 HB2 GLU 39 HB2 GLU 39 3.906 15.184 2.883 299 HB3 GLU 39 HB3 GLU 39 2.805 16.485 2.437 300 HG2 GLU 39 HG2 GLU 39 4.033 16.197 5.195 301 HG3 GLU 39 HG3 GLU 39 4.711 17.213 3.925 302 H TRP 40 H TRP 40 0.095 16.371 2.773 303 HA TRP 40 HA TRP 40 -0.938 14.105 1.230 304 HB2 TRP 40 HB2 TRP 40 -2.044 16.685 2.206 305 HB3 TRP 40 HB3 TRP 40 -2.568 16.252 0.584 306 HD1 TRP 40 HD1 TRP 40 -3.566 13.626 0.388 307 HE1 TRP 40 HE1 TRP 40 -5.143 12.416 2.029 308 HE3 TRP 40 HE3 TRP 40 -2.825 16.459 4.571 309 HZ2 TRP 40 HZ2 TRP 40 -5.981 12.620 4.745 310 HZ3 TRP 40 HZ3 TRP 40 -4.029 15.929 6.676 311 HH2 TRP 40 HH2 TRP 40 -5.606 14.014 6.767 312 H GLN 41 H GLN 41 -0.668 13.835 -0.857 313 HA GLN 41 HA GLN 41 0.660 15.967 -2.421 314 HB2 GLN 41 HB2 GLN 41 0.861 12.961 -2.703 315 HB3 GLN 41 HB3 GLN 41 1.579 14.132 -3.803 316 HG2 GLN 41 HG2 GLN 41 2.172 13.984 -0.833 317 HG3 GLN 41 HG3 GLN 41 3.204 13.291 -2.083 318 HE21 GLN 41 HE21 GLN 41 3.681 15.097 -3.928 319 HE22 GLN 41 HE22 GLN 41 4.158 16.605 -3.311 320 H GLN 42 H GLN 42 0.037 16.176 -4.650 321 HA GLN 42 HA GLN 42 -2.775 15.648 -5.011 322 HB2 GLN 42 HB2 GLN 42 -0.986 17.647 -5.913 323 HB3 GLN 42 HB3 GLN 42 -1.500 16.805 -7.374 324 HG2 GLN 42 HG2 GLN 42 -3.445 17.807 -5.275 325 HG3 GLN 42 HG3 GLN 42 -2.949 18.785 -6.654 326 HE21 GLN 42 HE21 GLN 42 -4.539 15.685 -5.806 327 HE22 GLN 42 HE22 GLN 42 -5.411 15.561 -7.253 328 H VAL 43 H VAL 43 -3.664 14.095 -6.132 329 HA VAL 43 HA VAL 43 -2.070 12.020 -7.268 330 HB VAL 43 HB VAL 43 -4.225 10.897 -7.690 331 HG11 VAL 43 HG11 VAL 43 -5.139 11.325 -5.167 332 HG12 VAL 43 HG12 VAL 43 -3.574 12.094 -5.016 333 HG13 VAL 43 HG13 VAL 43 -3.679 10.409 -5.508 334 HG21 VAL 43 HG21 VAL 43 -5.316 13.645 -7.044 335 HG22 VAL 43 HG22 VAL 43 -6.312 12.208 -6.819 336 HG23 VAL 43 HG23 VAL 43 -5.679 12.606 -8.418 337 H LEU 44 H LEU 44 -1.112 12.338 -9.104 338 HA LEU 44 HA LEU 44 -1.687 14.239 -11.057 339 HB2 LEU 44 HB2 LEU 44 -0.192 11.659 -11.181 340 HB3 LEU 44 HB3 LEU 44 -0.196 12.839 -12.491 341 HG LEU 44 HG LEU 44 0.661 13.467 -9.648 342 HD11 LEU 44 HD11 LEU 44 2.984 13.447 -10.738 343 HD12 LEU 44 HD12 LEU 44 2.229 12.575 -12.077 344 HD13 LEU 44 HD13 LEU 44 2.228 11.878 -10.459 345 HD21 LEU 44 HD21 LEU 44 0.087 15.505 -10.752 346 HD22 LEU 44 HD22 LEU 44 0.750 14.960 -12.292 347 HD23 LEU 44 HD23 LEU 44 1.832 15.387 -10.967 348 H ARG 45 H ARG 45 -2.412 10.725 -11.053 349 HA ARG 45 HA ARG 45 -4.700 11.032 -12.783 350 HB2 ARG 45 HB2 ARG 45 -2.844 11.413 -14.388 351 HB3 ARG 45 HB3 ARG 45 -2.183 9.836 -13.984 352 HG2 ARG 45 HG2 ARG 45 -4.255 8.753 -14.801 353 HG3 ARG 45 HG3 ARG 45 -4.957 10.333 -15.138 354 HD2 ARG 45 HD2 ARG 45 -3.197 10.796 -16.780 355 HD3 ARG 45 HD3 ARG 45 -2.434 9.250 -16.420 356 HE ARG 45 HE ARG 45 -4.069 8.184 -17.697 357 HH11 ARG 45 HH11 ARG 45 -5.044 11.513 -17.134 358 HH12 ARG 45 HH12 ARG 45 -6.366 11.442 -18.251 359 HH21 ARG 45 HH21 ARG 45 -5.805 8.134 -19.141 360 HH22 ARG 45 HH22 ARG 45 -6.793 9.536 -19.380 361 H TRP 46 H TRP 46 -5.828 9.075 -13.164 362 HA TRP 46 HA TRP 46 -5.069 6.851 -11.382 363 HB2 TRP 46 HB2 TRP 46 -7.303 7.838 -10.986 364 HB3 TRP 46 HB3 TRP 46 -7.750 7.508 -12.659 365 HD1 TRP 46 HD1 TRP 46 -6.475 5.488 -9.592 366 HE1 TRP 46 HE1 TRP 46 -7.674 3.215 -9.572 367 HE3 TRP 46 HE3 TRP 46 -9.246 5.910 -13.866 368 HZ2 TRP 46 HZ2 TRP 46 -9.556 1.769 -11.140 369 HZ3 TRP 46 HZ3 TRP 46 -10.742 4.058 -14.572 370 HH2 TRP 46 HH2 TRP 46 -10.899 1.988 -13.204 371 H LEU 47 H LEU 47 -4.035 5.257 -12.323 372 HA LEU 47 HA LEU 47 -4.457 4.690 -15.190 373 HB2 LEU 47 HB2 LEU 47 -2.134 4.314 -13.314 374 HB3 LEU 47 HB3 LEU 47 -2.238 3.412 -14.823 375 HG LEU 47 HG LEU 47 -2.551 5.665 -15.997 376 HD11 LEU 47 HD11 LEU 47 -1.533 7.593 -14.646 377 HD12 LEU 47 HD12 LEU 47 -1.772 6.587 -13.217 378 HD13 LEU 47 HD13 LEU 47 -3.156 7.100 -14.176 379 HD21 LEU 47 HD21 LEU 47 -0.012 4.988 -14.498 380 HD22 LEU 47 HD22 LEU 47 -0.083 6.216 -15.765 381 HD23 LEU 47 HD23 LEU 47 -0.434 4.528 -16.148 382 H ASP 48 H ASP 48 -5.255 2.788 -15.833 383 HA ASP 48 HA ASP 48 -5.850 0.723 -13.832 384 HB2 ASP 48 HB2 ASP 48 -7.221 -0.298 -15.642 385 HB3 ASP 48 HB3 ASP 48 -7.720 1.340 -15.251 386 H GLN 49 H GLN 49 -4.070 -0.499 -13.470 387 HA GLN 49 HA GLN 49 -2.050 -1.070 -15.358 388 HB2 GLN 49 HB2 GLN 49 -2.813 -2.454 -12.790 389 HB3 GLN 49 HB3 GLN 49 -1.400 -2.904 -13.744 390 HG2 GLN 49 HG2 GLN 49 -0.528 -1.386 -12.181 391 HG3 GLN 49 HG3 GLN 49 -0.796 -0.363 -13.590 392 HE21 GLN 49 HE21 GLN 49 -1.494 1.616 -12.732 393 HE22 GLN 49 HE22 GLN 49 -2.751 1.773 -11.601 394 H GLY 50 H GLY 50 -4.970 -2.843 -14.441 395 HA2 GLY 50 HA2 GLY 50 -6.088 -4.139 -16.225 396 HA3 GLY 50 HA3 GLY 50 -4.488 -4.697 -16.704 397 H VAL 51 H VAL 51 -4.223 -6.751 -16.219 398 HA VAL 51 HA VAL 51 -5.132 -7.692 -13.565 399 HB VAL 51 HB VAL 51 -5.471 -9.935 -14.566 400 HG11 VAL 51 HG11 VAL 51 -7.018 -7.697 -15.901 401 HG12 VAL 51 HG12 VAL 51 -7.371 -8.406 -14.325 402 HG13 VAL 51 HG13 VAL 51 -7.547 -9.375 -15.787 403 HG21 VAL 51 HG21 VAL 51 -4.805 -8.449 -17.133 404 HG22 VAL 51 HG22 VAL 51 -5.659 -9.993 -17.119 405 HG23 VAL 51 HG23 VAL 51 -4.015 -9.890 -16.491 406 H ARG 52 H ARG 52 -3.598 -8.437 -12.290 407 HA ARG 52 HA ARG 52 -1.255 -9.768 -13.369 408 HB2 ARG 52 HB2 ARG 52 0.421 -8.267 -12.497 409 HB3 ARG 52 HB3 ARG 52 -0.687 -7.311 -13.480 410 HG2 ARG 52 HG2 ARG 52 -1.875 -6.607 -11.426 411 HG3 ARG 52 HG3 ARG 52 -0.745 -7.535 -10.453 412 HD2 ARG 52 HD2 ARG 52 0.023 -5.248 -12.289 413 HD3 ARG 52 HD3 ARG 52 -0.117 -5.151 -10.546 414 HE ARG 52 HE ARG 52 1.794 -6.596 -10.327 415 HH11 ARG 52 HH11 ARG 52 1.175 -5.685 -13.687 416 HH12 ARG 52 HH12 ARG 52 2.777 -6.082 -14.192 417 HH21 ARG 52 HH21 ARG 52 3.864 -7.076 -11.060 418 HH22 ARG 52 HH22 ARG 52 4.282 -6.863 -12.727 419 H GLU 53 H GLU 53 0.207 -10.554 -11.683 420 HA GLU 53 HA GLU 53 -1.200 -11.906 -9.583 421 HB2 GLU 53 HB2 GLU 53 0.739 -12.886 -10.805 422 HB3 GLU 53 HB3 GLU 53 1.782 -11.670 -10.078 423 HG2 GLU 53 HG2 GLU 53 1.242 -12.521 -7.829 424 HG3 GLU 53 HG3 GLU 53 0.148 -13.702 -8.528 425 H THR 54 H THR 54 -1.221 -11.478 -7.361 426 HA THR 54 HA THR 54 0.397 -9.185 -6.425 427 HB THR 54 HB THR 54 -1.768 -8.221 -7.090 428 HG1 THR 54 HG1 THR 54 -1.578 -6.959 -5.446 429 HG21 THR 54 HG21 THR 54 -3.777 -9.088 -6.538 430 HG22 THR 54 HG22 THR 54 -3.314 -9.311 -4.862 431 HG23 THR 54 HG23 THR 54 -2.929 -10.555 -6.053 432 H TRP 55 H TRP 55 0.715 -8.977 -4.215 433 HA TRP 55 HA TRP 55 0.337 -11.474 -2.663 434 HB2 TRP 55 HB2 TRP 55 2.560 -9.430 -2.716 435 HB3 TRP 55 HB3 TRP 55 2.351 -10.535 -1.365 436 HD1 TRP 55 HD1 TRP 55 3.401 -12.822 -1.618 437 HE1 TRP 55 HE1 TRP 55 4.454 -14.139 -3.550 438 HE3 TRP 55 HE3 TRP 55 2.277 -9.732 -5.512 439 HZ2 TRP 55 HZ2 TRP 55 4.778 -13.934 -6.378 440 HZ3 TRP 55 HZ3 TRP 55 2.967 -10.318 -7.823 441 HH2 TRP 55 HH2 TRP 55 4.216 -12.418 -8.258 442 H LYS 56 H LYS 56 -0.625 -11.356 -0.701 443 HA LYS 56 HA LYS 56 -1.814 -8.814 0.141 444 HB2 LYS 56 HB2 LYS 56 -3.168 -10.950 -0.047 445 HB3 LYS 56 HB3 LYS 56 -2.240 -11.582 1.302 446 HG2 LYS 56 HG2 LYS 56 -3.060 -9.673 2.731 447 HG3 LYS 56 HG3 LYS 56 -4.033 -9.119 1.363 448 HD2 LYS 56 HD2 LYS 56 -5.149 -11.360 1.295 449 HD3 LYS 56 HD3 LYS 56 -4.269 -11.803 2.755 450 HE2 LYS 56 HE2 LYS 56 -6.417 -11.050 3.479 451 HE3 LYS 56 HE3 LYS 56 -5.295 -9.739 3.843 452 HZ1 LYS 56 HZ1 LYS 56 -7.117 -8.736 2.802 453 HZ2 LYS 56 HZ2 LYS 56 -7.218 -9.937 1.604 454 HZ3 LYS 56 HZ3 LYS 56 -5.935 -8.824 1.590 455 H ILE 57 H ILE 57 -0.004 -7.770 1.017 456 HA ILE 57 HA ILE 57 1.529 -8.955 3.171 457 HB ILE 57 HB ILE 57 1.439 -5.987 2.511 458 HG12 ILE 57 HG12 ILE 57 3.758 -6.849 1.277 459 HG13 ILE 57 HG13 ILE 57 2.747 -8.262 1.008 460 HG21 ILE 57 HG21 ILE 57 3.571 -7.731 3.772 461 HG22 ILE 57 HG22 ILE 57 2.473 -6.666 4.649 462 HG23 ILE 57 HG23 ILE 57 3.658 -5.985 3.534 463 HD11 ILE 57 HD11 ILE 57 2.770 -6.302 -0.732 464 HD12 ILE 57 HD12 ILE 57 1.656 -5.524 0.393 465 HD13 ILE 57 HD13 ILE 57 1.243 -7.081 -0.324 466 H LYS 58 H LYS 58 0.473 -9.407 4.944 467 HA LYS 58 HA LYS 58 -1.633 -7.632 5.900 468 HB2 LYS 58 HB2 LYS 58 -2.035 -10.082 5.642 469 HB3 LYS 58 HB3 LYS 58 -0.867 -10.372 6.923 470 HG2 LYS 58 HG2 LYS 58 -2.225 -8.896 8.439 471 HG3 LYS 58 HG3 LYS 58 -3.419 -8.727 7.156 472 HD2 LYS 58 HD2 LYS 58 -3.615 -11.264 7.164 473 HD3 LYS 58 HD3 LYS 58 -2.640 -11.232 8.638 474 HE2 LYS 58 HE2 LYS 58 -5.264 -9.760 8.282 475 HE3 LYS 58 HE3 LYS 58 -5.076 -11.286 9.142 476 HZ1 LYS 58 HZ1 LYS 58 -3.201 -9.330 10.060 477 HZ2 LYS 58 HZ2 LYS 58 -4.347 -10.227 10.934 478 HZ3 LYS 58 HZ3 LYS 58 -4.794 -8.766 10.195 479 H THR 59 H THR 59 -1.534 -6.468 7.665 480 HA THR 59 HA THR 59 0.682 -6.846 9.594 481 HB THR 59 HB THR 59 1.052 -4.493 9.836 482 HG1 THR 59 HG1 THR 59 -0.452 -3.144 9.363 483 HG21 THR 59 HG21 THR 59 2.091 -3.962 7.804 484 HG22 THR 59 HG22 THR 59 0.827 -4.743 6.850 485 HG23 THR 59 HG23 THR 59 1.996 -5.724 7.743 486 H PHE 60 H PHE 60 0.248 -5.874 11.677 487 HA PHE 60 HA PHE 60 -2.146 -6.844 12.699 488 HB2 PHE 60 HB2 PHE 60 -0.050 -6.560 14.020 489 HB3 PHE 60 HB3 PHE 60 -0.296 -4.815 13.994 490 HD1 PHE 60 HD1 PHE 60 -1.777 -8.040 15.133 491 HD2 PHE 60 HD2 PHE 60 -1.831 -3.761 15.502 492 HE1 PHE 60 HE1 PHE 60 -3.273 -8.227 17.103 493 HE2 PHE 60 HE2 PHE 60 -3.327 -3.950 17.472 494 HZ PHE 60 HZ PHE 60 -4.047 -6.183 18.271 495 H GLN 61 H GLN 61 -1.247 -3.562 11.715 496 HA GLN 61 HA GLN 61 -3.733 -2.441 12.736 497 HB2 GLN 61 HB2 GLN 61 -1.524 -1.172 11.099 498 HB3 GLN 61 HB3 GLN 61 -2.885 -0.312 11.813 499 HG2 GLN 61 HG2 GLN 61 -2.145 -1.134 14.069 500 HG3 GLN 61 HG3 GLN 61 -0.720 -1.826 13.288 501 HE21 GLN 61 HE21 GLN 61 1.033 -0.484 13.674 502 HE22 GLN 61 HE22 GLN 61 0.992 1.217 13.589 503 H THR 62 H THR 62 -2.319 -3.303 9.607 504 HA THR 62 HA THR 62 -4.974 -3.205 8.374 505 HB THR 62 HB THR 62 -4.268 -1.737 6.522 506 HG1 THR 62 HG1 THR 62 -2.296 -0.682 6.660 507 HG21 THR 62 HG21 THR 62 -3.718 -0.374 9.168 508 HG22 THR 62 HG22 THR 62 -5.337 -0.803 8.614 509 HG23 THR 62 HG23 THR 62 -4.371 0.356 7.701 510 H GLU 63 H GLU 63 -4.501 -3.587 5.811 511 HA GLU 63 HA GLU 63 -2.301 -5.301 5.220 512 HB2 GLU 63 HB2 GLU 63 -3.392 -7.381 4.823 513 HB3 GLU 63 HB3 GLU 63 -4.020 -6.866 6.387 514 HG2 GLU 63 HG2 GLU 63 -5.984 -7.540 5.252 515 HG3 GLU 63 HG3 GLU 63 -5.949 -5.814 4.945 516 H ILE 64 H ILE 64 -2.257 -5.856 2.887 517 HA ILE 64 HA ILE 64 -4.221 -4.679 1.158 518 HB ILE 64 HB ILE 64 -3.100 -2.664 2.006 519 HG12 ILE 64 HG12 ILE 64 -2.475 -1.713 -0.276 520 HG13 ILE 64 HG13 ILE 64 -2.723 -3.328 -0.928 521 HG21 ILE 64 HG21 ILE 64 -0.647 -3.841 0.690 522 HG22 ILE 64 HG22 ILE 64 -0.879 -3.537 2.413 523 HG23 ILE 64 HG23 ILE 64 -0.779 -2.186 1.284 524 HD11 ILE 64 HD11 ILE 64 -4.933 -2.171 0.749 525 HD12 ILE 64 HD12 ILE 64 -5.020 -3.239 -0.649 526 HD13 ILE 64 HD13 ILE 64 -4.695 -1.522 -0.872 527 H LYS 65 H LYS 65 -4.012 -5.226 -1.015 528 HA LYS 65 HA LYS 65 -1.873 -7.140 -1.583 529 HB2 LYS 65 HB2 LYS 65 -3.549 -7.752 -3.543 530 HB3 LYS 65 HB3 LYS 65 -3.713 -8.444 -1.936 531 HG2 LYS 65 HG2 LYS 65 -5.156 -5.863 -2.545 532 HG3 LYS 65 HG3 LYS 65 -5.816 -7.357 -3.205 533 HD2 LYS 65 HD2 LYS 65 -5.822 -8.334 -0.911 534 HD3 LYS 65 HD3 LYS 65 -5.279 -6.782 -0.273 535 HE2 LYS 65 HE2 LYS 65 -7.296 -5.694 -1.168 536 HE3 LYS 65 HE3 LYS 65 -7.839 -7.234 -1.836 537 HZ1 LYS 65 HZ1 LYS 65 -7.709 -6.360 0.962 538 HZ2 LYS 65 HZ2 LYS 65 -7.509 -8.011 0.615 539 HZ3 LYS 65 HZ3 LYS 65 -8.933 -7.210 0.153 540 H CYS 66 H CYS 66 -0.326 -6.561 -2.874 541 HA CYS 66 HA CYS 66 -0.804 -4.880 -5.213 542 HB2 CYS 66 HB2 CYS 66 0.959 -3.290 -4.640 543 HB3 CYS 66 HB3 CYS 66 -0.282 -3.269 -3.398 544 HG CYS 66 HG CYS 66 1.401 -4.006 -1.740 545 H THR 67 H THR 67 1.428 -4.563 -6.382 546 HA THR 67 HA THR 67 2.307 -7.056 -7.222 547 HB THR 67 HB THR 67 3.846 -4.453 -7.407 548 HG1 THR 67 HG1 THR 67 1.710 -5.556 -8.889 549 HG21 THR 67 HG21 THR 67 3.942 -7.044 -8.967 550 HG22 THR 67 HG22 THR 67 5.258 -6.268 -8.087 551 HG23 THR 67 HG23 THR 67 4.638 -5.539 -9.568 552 H GLY 68 H GLY 68 3.723 -8.500 -6.456 553 HA2 GLY 68 HA2 GLY 68 4.833 -8.366 -3.890 554 HA3 GLY 68 HA3 GLY 68 5.193 -9.588 -5.094 555 H ASN 69 H ASN 69 6.348 -7.949 -7.080 556 HA ASN 69 HA ASN 69 9.003 -7.739 -6.016 557 HB2 ASN 69 HB2 ASN 69 7.821 -7.275 -8.734 558 HB3 ASN 69 HB3 ASN 69 9.526 -6.953 -8.389 559 HD21 ASN 69 HD21 ASN 69 7.143 -9.501 -8.815 560 HD22 ASN 69 HD22 ASN 69 8.227 -10.796 -8.642 561 H HIS 70 H HIS 70 6.454 -5.497 -6.268 562 HA HIS 70 HA HIS 70 7.996 -3.106 -6.541 563 HB2 HIS 70 HB2 HIS 70 5.553 -3.340 -7.056 564 HB3 HIS 70 HB3 HIS 70 5.245 -3.403 -5.318 565 HD2 HIS 70 HD2 HIS 70 4.727 -0.895 -4.371 566 HE1 HIS 70 HE1 HIS 70 6.978 1.297 -7.184 567 HE2 HIS 70 HE2 HIS 70 5.444 1.478 -5.166 568 H LEU 71 H LEU 71 8.810 -1.731 -4.973 569 HA LEU 71 HA LEU 71 9.350 -2.915 -2.386 570 HB2 LEU 71 HB2 LEU 71 10.203 -0.242 -3.519 571 HB3 LEU 71 HB3 LEU 71 10.746 -0.928 -1.990 572 HG LEU 71 HG LEU 71 11.444 -3.006 -3.446 573 HD11 LEU 71 HD11 LEU 71 12.231 -2.077 -5.770 574 HD12 LEU 71 HD12 LEU 71 10.990 -0.854 -5.518 575 HD13 LEU 71 HD13 LEU 71 10.550 -2.558 -5.577 576 HD21 LEU 71 HD21 LEU 71 12.886 -0.332 -3.469 577 HD22 LEU 71 HD22 LEU 71 13.640 -1.832 -4.007 578 HD23 LEU 71 HD23 LEU 71 13.114 -1.661 -2.332 579 H ILE 72 H ILE 72 8.791 -2.202 -0.412 580 HA ILE 72 HA ILE 72 6.800 -0.052 -0.166 581 HB ILE 72 HB ILE 72 6.575 -2.715 1.286 582 HG12 ILE 72 HG12 ILE 72 4.325 -2.658 -0.266 583 HG13 ILE 72 HG13 ILE 72 5.387 -1.741 -1.326 584 HG21 ILE 72 HG21 ILE 72 4.448 -0.584 1.055 585 HG22 ILE 72 HG22 ILE 72 5.680 -0.496 2.316 586 HG23 ILE 72 HG23 ILE 72 4.595 -1.879 2.237 587 HD11 ILE 72 HD11 ILE 72 5.410 -4.178 -1.810 588 HD12 ILE 72 HD12 ILE 72 6.015 -4.477 -0.182 589 HD13 ILE 72 HD13 ILE 72 7.003 -3.590 -1.339 590 H ARG 73 H ARG 73 7.086 1.257 1.598 591 HA ARG 73 HA ARG 73 9.636 1.301 2.809 592 HB2 ARG 73 HB2 ARG 73 8.052 3.291 2.493 593 HB3 ARG 73 HB3 ARG 73 7.226 2.717 3.938 594 HG2 ARG 73 HG2 ARG 73 8.764 4.199 4.882 595 HG3 ARG 73 HG3 ARG 73 9.659 2.692 5.003 596 HD2 ARG 73 HD2 ARG 73 11.278 4.013 4.024 597 HD3 ARG 73 HD3 ARG 73 10.506 3.430 2.564 598 HE ARG 73 HE ARG 73 9.490 5.564 2.275 599 HH11 ARG 73 HH11 ARG 73 11.323 5.467 5.281 600 HH12 ARG 73 HH12 ARG 73 11.337 7.188 5.452 601 HH21 ARG 73 HH21 ARG 73 9.588 7.798 2.525 602 HH22 ARG 73 HH22 ARG 73 10.367 8.491 3.907 603 H THR 74 H THR 74 10.471 0.447 4.585 604 HA THR 74 HA THR 74 8.701 -0.613 6.680 605 HB THR 74 HB THR 74 10.334 -2.505 6.983 606 HG1 THR 74 HG1 THR 74 11.185 -1.870 4.376 607 HG21 THR 74 HG21 THR 74 8.333 -3.142 5.967 608 HG22 THR 74 HG22 THR 74 9.552 -3.690 4.823 609 HG23 THR 74 HG23 THR 74 8.649 -2.211 4.501 610 H ASP 75 H ASP 75 10.321 -1.281 8.636 611 HA ASP 75 HA ASP 75 11.243 1.154 9.667 612 HB2 ASP 75 HB2 ASP 75 12.371 -0.258 11.425 613 HB3 ASP 75 HB3 ASP 75 10.653 -0.574 11.204 614 H LYS 76 H LYS 76 12.932 -1.252 7.740 615 HA LYS 76 HA LYS 76 15.530 0.039 8.170 616 HB2 LYS 76 HB2 LYS 76 14.743 -2.335 6.471 617 HB3 LYS 76 HB3 LYS 76 16.386 -1.714 6.615 618 HG2 LYS 76 HG2 LYS 76 16.303 -2.092 9.061 619 HG3 LYS 76 HG3 LYS 76 14.675 -2.746 8.888 620 HD2 LYS 76 HD2 LYS 76 15.544 -4.504 7.375 621 HD3 LYS 76 HD3 LYS 76 17.176 -3.877 7.607 622 HE2 LYS 76 HE2 LYS 76 15.388 -4.906 9.832 623 HE3 LYS 76 HE3 LYS 76 16.703 -5.816 9.092 624 HZ1 LYS 76 HZ1 LYS 76 18.103 -3.764 9.714 625 HZ2 LYS 76 HZ2 LYS 76 17.694 -4.875 10.933 626 HZ3 LYS 76 HZ3 LYS 76 16.842 -3.412 10.792 627 H GLY 77 H GLY 77 12.872 0.354 6.024 628 HA2 GLY 77 HA2 GLY 77 13.074 2.443 4.609 629 HA3 GLY 77 HA3 GLY 77 14.549 1.708 3.983 630 H TRP 78 H TRP 78 13.466 1.952 1.856 631 HA TRP 78 HA TRP 78 11.094 0.498 1.179 632 HB2 TRP 78 HB2 TRP 78 13.385 1.482 -0.542 633 HB3 TRP 78 HB3 TRP 78 11.892 0.795 -1.174 634 HD1 TRP 78 HD1 TRP 78 13.402 3.988 -0.202 635 HE1 TRP 78 HE1 TRP 78 11.615 5.840 -0.038 636 HE3 TRP 78 HE3 TRP 78 9.169 1.138 -0.260 637 HZ2 TRP 78 HZ2 TRP 78 8.774 6.079 0.063 638 HZ3 TRP 78 HZ3 TRP 78 6.932 2.206 -0.119 639 HH2 TRP 78 HH2 TRP 78 6.733 4.673 0.042 640 H ILE 79 H ILE 79 10.827 -1.619 0.897 641 HA ILE 79 HA ILE 79 13.110 -3.265 0.059 642 HB ILE 79 HB ILE 79 11.350 -3.969 2.443 643 HG12 ILE 79 HG12 ILE 79 14.346 -3.411 2.356 644 HG13 ILE 79 HG13 ILE 79 13.158 -2.189 2.801 645 HG21 ILE 79 HG21 ILE 79 13.571 -5.461 1.002 646 HG22 ILE 79 HG22 ILE 79 11.923 -6.009 1.301 647 HG23 ILE 79 HG23 ILE 79 13.061 -5.874 2.641 648 HD11 ILE 79 HD11 ILE 79 14.202 -4.453 4.374 649 HD12 ILE 79 HD12 ILE 79 12.448 -4.290 4.471 650 HD13 ILE 79 HD13 ILE 79 13.487 -2.941 4.918 651 H LYS 80 H LYS 80 12.651 -4.998 -1.194 652 HA LYS 80 HA LYS 80 10.403 -5.083 -2.849 653 HB2 LYS 80 HB2 LYS 80 12.760 -6.322 -2.895 654 HB3 LYS 80 HB3 LYS 80 11.861 -7.601 -2.107 655 HG2 LYS 80 HG2 LYS 80 11.366 -8.280 -4.236 656 HG3 LYS 80 HG3 LYS 80 10.130 -7.032 -4.175 657 HD2 LYS 80 HD2 LYS 80 11.333 -6.653 -6.209 658 HD3 LYS 80 HD3 LYS 80 11.924 -5.424 -5.088 659 HE2 LYS 80 HE2 LYS 80 13.894 -6.810 -4.583 660 HE3 LYS 80 HE3 LYS 80 13.286 -8.081 -5.642 661 HZ1 LYS 80 HZ1 LYS 80 14.992 -6.439 -6.567 662 HZ2 LYS 80 HZ2 LYS 80 13.699 -5.339 -6.647 663 HZ3 LYS 80 HZ3 LYS 80 13.638 -6.798 -7.519 664 H ALA 81 H ALA 81 8.346 -5.887 -2.603 665 HA ALA 81 HA ALA 81 7.317 -6.596 -0.092 666 HB1 ALA 81 HB1 ALA 81 5.385 -6.300 -1.160 667 HB2 ALA 81 HB2 ALA 81 5.647 -7.761 -2.098 668 HB3 ALA 81 HB3 ALA 81 6.249 -6.215 -2.693 669 H ALA 82 H ALA 82 8.575 -8.583 -2.702 670 HA ALA 82 HA ALA 82 7.803 -11.128 -1.803 671 HB1 ALA 82 HB1 ALA 82 9.981 -11.814 -3.040 672 HB2 ALA 82 HB2 ALA 82 10.069 -10.111 -3.489 673 HB3 ALA 82 HB3 ALA 82 8.673 -11.077 -3.968 674 H ASN 83 H ASN 83 10.573 -9.065 -1.000 675 HA ASN 83 HA ASN 83 11.955 -10.987 0.610 676 HB2 ASN 83 HB2 ASN 83 13.028 -9.024 -0.528 677 HB3 ASN 83 HB3 ASN 83 12.257 -7.986 0.678 678 HD21 ASN 83 HD21 ASN 83 15.129 -9.577 0.049 679 HD22 ASN 83 HD22 ASN 83 15.695 -9.745 1.640 680 H ILE 84 H ILE 84 9.501 -8.545 1.279 681 HA ILE 84 HA ILE 84 9.857 -8.211 4.024 682 HB ILE 84 HB ILE 84 7.180 -8.272 2.597 683 HG12 ILE 84 HG12 ILE 84 8.693 -6.724 1.433 684 HG13 ILE 84 HG13 ILE 84 7.481 -5.806 2.303 685 HG21 ILE 84 HG21 ILE 84 6.512 -6.644 4.381 686 HG22 ILE 84 HG22 ILE 84 8.059 -6.940 5.175 687 HG23 ILE 84 HG23 ILE 84 6.893 -8.252 5.003 688 HD11 ILE 84 HD11 ILE 84 9.386 -4.613 2.905 689 HD12 ILE 84 HD12 ILE 84 10.432 -6.029 2.806 690 HD13 ILE 84 HD13 ILE 84 9.379 -5.809 4.203 691 H THR 85 H THR 85 9.300 -9.272 5.819 692 HA THR 85 HA THR 85 7.865 -11.837 5.583 693 HB THR 85 HB THR 85 9.433 -12.811 7.247 694 HG1 THR 85 HG1 THR 85 11.269 -11.680 7.785 695 HG21 THR 85 HG21 THR 85 10.963 -11.710 4.885 696 HG22 THR 85 HG22 THR 85 9.785 -13.015 4.746 697 HG23 THR 85 HG23 THR 85 11.231 -13.235 5.729 698 HA PRO 86 HA PRO 86 5.196 -10.668 8.897 699 HB2 PRO 86 HB2 PRO 86 6.451 -12.756 10.646 700 HB3 PRO 86 HB3 PRO 86 4.731 -12.403 10.371 701 HG2 PRO 86 HG2 PRO 86 5.840 -14.455 9.185 702 HG3 PRO 86 HG3 PRO 86 4.722 -13.415 8.289 703 HD2 PRO 86 HD2 PRO 86 7.692 -13.594 8.076 704 HD3 PRO 86 HD3 PRO 86 6.472 -13.227 6.823 705 H LYS 87 H LYS 87 8.517 -11.345 9.978 706 HA LYS 87 HA LYS 87 8.460 -9.865 12.374 707 HB2 LYS 87 HB2 LYS 87 10.854 -10.099 12.446 708 HB3 LYS 87 HB3 LYS 87 10.174 -11.584 11.809 709 HG2 LYS 87 HG2 LYS 87 11.700 -11.361 10.118 710 HG3 LYS 87 HG3 LYS 87 10.588 -10.173 9.455 711 HD2 LYS 87 HD2 LYS 87 12.694 -9.067 9.510 712 HD3 LYS 87 HD3 LYS 87 11.826 -8.442 10.912 713 HE2 LYS 87 HE2 LYS 87 14.016 -8.993 11.697 714 HE3 LYS 87 HE3 LYS 87 12.959 -10.282 12.271 715 HZ1 LYS 87 HZ1 LYS 87 13.781 -11.765 10.749 716 HZ2 LYS 87 HZ2 LYS 87 15.177 -10.857 11.091 717 HZ3 LYS 87 HZ3 LYS 87 14.293 -10.563 9.669 718 H MET 88 H MET 88 8.832 -8.769 9.083 719 HA MET 88 HA MET 88 10.133 -6.297 9.620 720 HB2 MET 88 HB2 MET 88 8.701 -7.495 7.300 721 HB3 MET 88 HB3 MET 88 8.682 -5.740 7.350 722 HG2 MET 88 HG2 MET 88 10.637 -6.215 6.133 723 HG3 MET 88 HG3 MET 88 11.249 -5.940 7.760 724 HE1 MET 88 HE1 MET 88 13.433 -7.436 7.973 725 HE2 MET 88 HE2 MET 88 13.182 -7.023 6.280 726 HE3 MET 88 HE3 MET 88 13.652 -8.663 6.715 727 H LYS 89 H LYS 89 9.331 -4.221 9.900 728 HA LYS 89 HA LYS 89 6.444 -3.991 10.454 729 HB2 LYS 89 HB2 LYS 89 8.662 -2.748 12.096 730 HB3 LYS 89 HB3 LYS 89 6.937 -2.439 12.306 731 HG2 LYS 89 HG2 LYS 89 6.634 -4.944 12.628 732 HG3 LYS 89 HG3 LYS 89 8.387 -5.072 12.694 733 HD2 LYS 89 HD2 LYS 89 6.787 -3.258 14.529 734 HD3 LYS 89 HD3 LYS 89 7.255 -4.901 14.959 735 HE2 LYS 89 HE2 LYS 89 9.641 -4.285 14.606 736 HE3 LYS 89 HE3 LYS 89 9.132 -2.628 14.267 737 HZ1 LYS 89 HZ1 LYS 89 8.292 -3.942 16.762 738 HZ2 LYS 89 HZ2 LYS 89 8.476 -2.287 16.428 739 HZ3 LYS 89 HZ3 LYS 89 9.844 -3.269 16.651 740 H ILE 90 H ILE 90 5.461 -2.059 9.948 741 HA ILE 90 HA ILE 90 7.070 -0.211 8.277 742 HB ILE 90 HB ILE 90 4.283 -1.279 7.695 743 HG12 ILE 90 HG12 ILE 90 6.866 -1.658 6.133 744 HG13 ILE 90 HG13 ILE 90 6.304 -2.815 7.331 745 HG21 ILE 90 HG21 ILE 90 5.930 0.920 6.447 746 HG22 ILE 90 HG22 ILE 90 4.198 0.861 6.762 747 HG23 ILE 90 HG23 ILE 90 4.873 -0.050 5.416 748 HD11 ILE 90 HD11 ILE 90 5.104 -2.119 4.667 749 HD12 ILE 90 HD12 ILE 90 4.068 -2.757 5.944 750 HD13 ILE 90 HD13 ILE 90 5.430 -3.707 5.357 751 H LEU 91 H LEU 91 6.853 1.909 8.654 752 HA LEU 91 HA LEU 91 5.211 2.800 10.846 753 HB2 LEU 91 HB2 LEU 91 6.108 5.054 10.314 754 HB3 LEU 91 HB3 LEU 91 7.354 3.860 10.618 755 HG LEU 91 HG LEU 91 6.589 4.040 7.724 756 HD11 LEU 91 HD11 LEU 91 7.591 6.145 7.232 757 HD12 LEU 91 HD12 LEU 91 8.112 6.367 8.902 758 HD13 LEU 91 HD13 LEU 91 6.398 6.440 8.496 759 HD21 LEU 91 HD21 LEU 91 8.581 2.797 8.752 760 HD22 LEU 91 HD22 LEU 91 9.307 4.378 9.029 761 HD23 LEU 91 HD23 LEU 91 8.960 3.845 7.385 762 H SER 92 H SER 92 3.223 3.507 10.772 763 HA SER 92 HA SER 92 2.093 4.481 8.229 764 HB2 SER 92 HB2 SER 92 0.849 2.513 10.158 765 HB3 SER 92 HB3 SER 92 -0.016 3.279 8.832 766 HG SER 92 HG SER 92 2.318 1.660 8.668 767 HA PRO 93 HA PRO 93 0.535 7.906 10.592 768 HB2 PRO 93 HB2 PRO 93 -1.805 8.524 9.376 769 HB3 PRO 93 HB3 PRO 93 -0.226 8.802 8.610 770 HG2 PRO 93 HG2 PRO 93 -2.140 6.546 8.211 771 HG3 PRO 93 HG3 PRO 93 -1.256 7.493 6.999 772 HD2 PRO 93 HD2 PRO 93 -0.405 5.051 7.772 773 HD3 PRO 93 HD3 PRO 93 0.740 6.349 7.348 774 H GLU 94 H GLU 94 -0.889 8.488 12.243 775 HA GLU 94 HA GLU 94 -2.899 6.483 13.066 776 HB2 GLU 94 HB2 GLU 94 -1.097 8.147 14.840 777 HB3 GLU 94 HB3 GLU 94 -2.385 7.086 15.407 778 HG2 GLU 94 HG2 GLU 94 -1.229 5.163 14.327 779 HG3 GLU 94 HG3 GLU 94 0.079 6.242 13.857 780 H ILE 95 H ILE 95 -4.852 7.243 13.674 781 HA ILE 95 HA ILE 95 -5.396 10.050 13.113 782 HB ILE 95 HB ILE 95 -7.335 7.792 13.732 783 HG12 ILE 95 HG12 ILE 95 -6.085 7.324 11.633 784 HG13 ILE 95 HG13 ILE 95 -7.759 7.716 11.271 785 HG21 ILE 95 HG21 ILE 95 -8.200 10.109 14.150 786 HG22 ILE 95 HG22 ILE 95 -9.082 9.246 12.891 787 HG23 ILE 95 HG23 ILE 95 -7.903 10.482 12.451 788 HD11 ILE 95 HD11 ILE 95 -5.309 9.473 10.884 789 HD12 ILE 95 HD12 ILE 95 -6.944 10.132 10.854 790 HD13 ILE 95 HD13 ILE 95 -6.459 8.930 9.660 791 H ASP 96 H ASP 96 -5.557 11.511 14.621 792 HA ASP 96 HA ASP 96 -6.782 11.123 17.175 793 HB2 ASP 96 HB2 ASP 96 -4.253 10.188 17.207 794 HB3 ASP 96 HB3 ASP 96 -3.900 11.892 17.462 795 H ALA 97 H ALA 97 -5.453 13.362 18.475 796 HA ALA 97 HA ALA 97 -6.770 15.575 17.302 797 HB1 ALA 97 HB1 ALA 97 -4.482 15.403 19.276 798 HB2 ALA 97 HB2 ALA 97 -6.182 15.715 19.623 799 HB3 ALA 97 HB3 ALA 97 -5.214 16.933 18.793 800 H ALA 98 H ALA 98 -3.486 14.329 17.051 801 HA ALA 98 HA ALA 98 -3.098 15.865 14.581 802 HB1 ALA 98 HB1 ALA 98 -0.797 15.458 16.471 803 HB2 ALA 98 HB2 ALA 98 -1.858 16.854 16.656 804 HB3 ALA 98 HB3 ALA 98 -0.959 16.621 15.156 805 H VAL 99 H VAL 99 -2.177 14.655 12.963 806 HA VAL 99 HA VAL 99 -2.201 11.859 13.131 807 HB VAL 99 HB VAL 99 -2.436 13.108 11.012 808 HG11 VAL 99 HG11 VAL 99 -0.620 14.215 9.941 809 HG12 VAL 99 HG12 VAL 99 0.550 13.564 11.090 810 HG13 VAL 99 HG13 VAL 99 -0.611 14.785 11.610 811 HG21 VAL 99 HG21 VAL 99 -0.936 11.660 9.616 812 HG22 VAL 99 HG22 VAL 99 -1.796 10.753 10.860 813 HG23 VAL 99 HG23 VAL 99 -0.097 11.170 11.088 814 H LYS 100 H LYS 100 -0.784 10.380 13.828 815 HA LYS 100 HA LYS 100 2.041 11.203 14.271 816 HB2 LYS 100 HB2 LYS 100 0.293 9.636 16.167 817 HB3 LYS 100 HB3 LYS 100 2.042 9.796 16.340 818 HG2 LYS 100 HG2 LYS 100 1.780 12.276 16.387 819 HG3 LYS 100 HG3 LYS 100 0.033 12.068 16.324 820 HD2 LYS 100 HD2 LYS 100 1.761 10.843 18.494 821 HD3 LYS 100 HD3 LYS 100 0.988 12.418 18.658 822 HE2 LYS 100 HE2 LYS 100 -0.477 9.812 18.113 823 HE3 LYS 100 HE3 LYS 100 -0.379 10.611 19.682 824 HZ1 LYS 100 HZ1 LYS 100 -2.335 11.449 18.896 825 HZ2 LYS 100 HZ2 LYS 100 -1.839 11.416 17.271 826 HZ3 LYS 100 HZ3 LYS 100 -1.267 12.629 18.314 827 H THR 101 H THR 101 3.632 9.637 14.011 828 HA THR 101 HA THR 101 2.938 7.480 12.201 829 HB THR 101 HB THR 101 5.361 7.090 12.082 830 HG1 THR 101 HG1 THR 101 6.479 7.584 13.757 831 HG21 THR 101 HG21 THR 101 5.963 9.717 11.728 832 HG22 THR 101 HG22 THR 101 4.206 9.813 11.682 833 HG23 THR 101 HG23 THR 101 5.067 8.762 10.557 834 H ALA 102 H ALA 102 3.343 5.272 12.522 835 HA ALA 102 HA ALA 102 4.237 4.233 15.047 836 HB1 ALA 102 HB1 ALA 102 2.121 4.561 15.935 837 HB2 ALA 102 HB2 ALA 102 1.999 2.917 15.307 838 HB3 ALA 102 HB3 ALA 102 1.316 4.263 14.395 839 H LEU 103 H LEU 103 5.088 2.271 14.780 840 HA LEU 103 HA LEU 103 5.149 1.058 12.175 841 HB2 LEU 103 HB2 LEU 103 6.244 0.161 14.852 842 HB3 LEU 103 HB3 LEU 103 6.551 -0.664 13.329 843 HG LEU 103 HG LEU 103 7.211 2.264 13.774 844 HD11 LEU 103 HD11 LEU 103 8.917 -0.216 14.130 845 HD12 LEU 103 HD12 LEU 103 8.550 1.011 15.344 846 HD13 LEU 103 HD13 LEU 103 9.584 1.410 13.971 847 HD21 LEU 103 HD21 LEU 103 7.027 1.615 11.424 848 HD22 LEU 103 HD22 LEU 103 8.042 0.201 11.697 849 HD23 LEU 103 HD23 LEU 103 8.732 1.821 11.817 850 H GLN 104 H GLN 104 4.221 -0.852 11.483 851 HA GLN 104 HA GLN 104 2.289 -2.145 13.316 852 HB2 GLN 104 HB2 GLN 104 0.855 -2.678 11.393 853 HB3 GLN 104 HB3 GLN 104 1.110 -0.939 11.482 854 HG2 GLN 104 HG2 GLN 104 3.017 -1.279 9.794 855 HG3 GLN 104 HG3 GLN 104 2.397 -2.912 9.595 856 HE21 GLN 104 HE21 GLN 104 0.597 0.211 9.927 857 HE22 GLN 104 HE22 GLN 104 -0.245 0.033 8.460 858 H ASP 105 H ASP 105 2.250 -4.346 13.388 859 HA ASP 105 HA ASP 105 4.686 -5.669 12.525 860 HB2 ASP 105 HB2 ASP 105 3.897 -5.895 14.854 861 HB3 ASP 105 HB3 ASP 105 2.438 -6.690 14.267 862 H VAL 106 H VAL 106 4.810 -6.715 10.659 863 HA VAL 106 HA VAL 106 2.554 -7.379 9.066 864 HB VAL 106 HB VAL 106 5.409 -8.429 8.898 865 HG11 VAL 106 HG11 VAL 106 3.403 -8.253 6.630 866 HG12 VAL 106 HG12 VAL 106 3.543 -9.699 7.627 867 HG13 VAL 106 HG13 VAL 106 4.923 -9.145 6.685 868 HG21 VAL 106 HG21 VAL 106 4.973 -5.869 8.756 869 HG22 VAL 106 HG22 VAL 106 4.172 -6.218 7.227 870 HG23 VAL 106 HG23 VAL 106 5.878 -6.607 7.436 871 H GLU 107 H GLU 107 1.122 -8.983 9.480 872 HA GLU 107 HA GLU 107 1.694 -11.118 11.312 873 HB2 GLU 107 HB2 GLU 107 -0.606 -10.177 10.958 874 HB3 GLU 107 HB3 GLU 107 -0.604 -10.891 9.343 875 HG2 GLU 107 HG2 GLU 107 -0.330 -13.131 10.303 876 HG3 GLU 107 HG3 GLU 107 -0.252 -12.447 11.928 877 H SER 108 H SER 108 1.254 -10.845 7.807 878 HA SER 108 HA SER 108 3.320 -12.544 7.055 879 HB2 SER 108 HB2 SER 108 0.698 -13.933 7.435 880 HB3 SER 108 HB3 SER 108 1.749 -14.423 6.113 881 HG SER 108 HG SER 108 1.916 -15.189 8.582 882 H ILE 109 H ILE 109 3.024 -13.311 4.732 883 HA ILE 109 HA ILE 109 1.446 -11.330 3.197 884 HB ILE 109 HB ILE 109 4.095 -12.623 2.430 885 HG12 ILE 109 HG12 ILE 109 3.487 -9.690 2.934 886 HG13 ILE 109 HG13 ILE 109 4.091 -10.748 4.208 887 HG21 ILE 109 HG21 ILE 109 2.402 -10.550 0.982 888 HG22 ILE 109 HG22 ILE 109 2.608 -12.228 0.479 889 HG23 ILE 109 HG23 ILE 109 3.984 -11.126 0.458 890 HD11 ILE 109 HD11 ILE 109 5.485 -9.755 1.737 891 HD12 ILE 109 HD12 ILE 109 5.968 -11.316 2.402 892 HD13 ILE 109 HD13 ILE 109 6.083 -9.863 3.390 893 H GLU 110 H GLU 110 -0.197 -12.247 2.038 894 HA GLU 110 HA GLU 110 0.044 -15.150 1.364 895 HB2 GLU 110 HB2 GLU 110 -2.375 -13.572 2.242 896 HB3 GLU 110 HB3 GLU 110 -2.476 -15.186 1.537 897 HG2 GLU 110 HG2 GLU 110 -1.130 -16.127 3.313 898 HG3 GLU 110 HG3 GLU 110 -0.776 -14.529 3.959 899 H LYS 111 H LYS 111 0.056 -15.626 -0.720 900 HA LYS 111 HA LYS 111 -0.267 -13.682 -2.756 901 HB2 LYS 111 HB2 LYS 111 -0.095 -16.693 -2.858 902 HB3 LYS 111 HB3 LYS 111 -0.186 -15.685 -4.303 903 HG2 LYS 111 HG2 LYS 111 1.817 -14.430 -3.498 904 HG3 LYS 111 HG3 LYS 111 1.956 -15.567 -2.155 905 HD2 LYS 111 HD2 LYS 111 1.946 -16.432 -5.064 906 HD3 LYS 111 HD3 LYS 111 3.427 -16.080 -4.176 907 HE2 LYS 111 HE2 LYS 111 2.795 -17.806 -2.492 908 HE3 LYS 111 HE3 LYS 111 1.370 -18.194 -3.455 909 HZ1 LYS 111 HZ1 LYS 111 4.141 -18.309 -4.506 910 HZ2 LYS 111 HZ2 LYS 111 2.727 -18.885 -5.253 911 HZ3 LYS 111 HZ3 LYS 111 3.330 -19.651 -3.861 912 H LEU 112 H LEU 112 -1.876 -13.187 -4.124 913 HA LEU 112 HA LEU 112 -4.498 -14.494 -3.715 914 HB2 LEU 112 HB2 LEU 112 -4.206 -11.703 -4.854 915 HB3 LEU 112 HB3 LEU 112 -5.641 -12.460 -4.195 916 HG LEU 112 HG LEU 112 -4.967 -10.876 -2.559 917 HD11 LEU 112 HD11 LEU 112 -5.291 -13.367 -1.767 918 HD12 LEU 112 HD12 LEU 112 -4.786 -12.129 -0.624 919 HD13 LEU 112 HD13 LEU 112 -3.595 -13.235 -1.308 920 HD21 LEU 112 HD21 LEU 112 -2.546 -10.791 -3.636 921 HD22 LEU 112 HD22 LEU 112 -2.141 -11.895 -2.334 922 HD23 LEU 112 HD23 LEU 112 -2.780 -10.303 -1.966 923 H GLY 113 H GLY 113 -2.068 -13.511 -6.012 924 HA2 GLY 113 HA2 GLY 113 -1.710 -14.469 -8.115 925 HA3 GLY 113 HA3 GLY 113 -3.320 -15.133 -8.056 926 H VAL 114 H VAL 114 -3.521 -14.449 -10.263 927 HA VAL 114 HA VAL 114 -3.317 -11.783 -11.130 928 HB VAL 114 HB VAL 114 -5.034 -14.033 -12.243 929 HG11 VAL 114 HG11 VAL 114 -5.685 -11.754 -13.060 930 HG12 VAL 114 HG12 VAL 114 -5.040 -12.782 -14.339 931 HG13 VAL 114 HG13 VAL 114 -4.031 -11.522 -13.629 932 HG21 VAL 114 HG21 VAL 114 -2.208 -13.109 -12.867 933 HG22 VAL 114 HG22 VAL 114 -3.108 -14.264 -13.850 934 HG23 VAL 114 HG23 VAL 114 -2.684 -14.664 -12.186 935 H ASN 115 H ASN 115 -4.503 -10.083 -10.697 936 HA ASN 115 HA ASN 115 -7.387 -10.304 -10.196 937 HB2 ASN 115 HB2 ASN 115 -5.378 -9.066 -8.324 938 HB3 ASN 115 HB3 ASN 115 -7.080 -8.632 -8.301 939 HD21 ASN 115 HD21 ASN 115 -5.731 -9.911 -6.079 940 HD22 ASN 115 HD22 ASN 115 -6.417 -11.454 -5.869 941 H HIS 116 H HIS 116 -8.474 -8.195 -10.313 942 HA HIS 116 HA HIS 116 -7.469 -6.542 -12.437 943 HB2 HIS 116 HB2 HIS 116 -9.743 -6.093 -10.473 944 HB3 HIS 116 HB3 HIS 116 -9.416 -5.086 -11.885 945 HD2 HIS 116 HD2 HIS 116 -11.371 -8.261 -11.036 946 HE1 HIS 116 HE1 HIS 116 -10.936 -8.259 -15.234 947 HE2 HIS 116 HE2 HIS 116 -12.134 -9.352 -13.282 948 H VAL 117 H VAL 117 -6.286 -4.693 -12.269 949 HA VAL 117 HA VAL 117 -5.696 -3.672 -9.559 950 HB VAL 117 HB VAL 117 -3.294 -3.225 -10.597 951 HG11 VAL 117 HG11 VAL 117 -2.597 -5.556 -9.771 952 HG12 VAL 117 HG12 VAL 117 -4.314 -5.833 -9.469 953 HG13 VAL 117 HG13 VAL 117 -3.469 -4.519 -8.641 954 HG21 VAL 117 HG21 VAL 117 -4.101 -4.240 -12.844 955 HG22 VAL 117 HG22 VAL 117 -3.987 -5.805 -12.036 956 HG23 VAL 117 HG23 VAL 117 -2.544 -4.801 -12.230 957 H TYR 118 H TYR 118 -5.448 -1.571 -9.249 958 HA TYR 118 HA TYR 118 -5.285 0.279 -11.495 959 HB2 TYR 118 HB2 TYR 118 -7.482 0.642 -9.398 960 HB3 TYR 118 HB3 TYR 118 -7.208 1.566 -10.864 961 HD1 TYR 118 HD1 TYR 118 -8.364 -1.685 -9.545 962 HD2 TYR 118 HD2 TYR 118 -7.919 0.746 -13.028 963 HE1 TYR 118 HE1 TYR 118 -9.820 -3.247 -10.798 964 HE2 TYR 118 HE2 TYR 118 -9.376 -0.806 -14.311 965 HH TYR 118 HH TYR 118 -11.405 -2.880 -13.036 966 H ASP 119 H ASP 119 -4.394 2.336 -10.830 967 HA ASP 119 HA ASP 119 -3.894 2.899 -8.045 968 HB2 ASP 119 HB2 ASP 119 -2.198 1.081 -8.790 969 HB3 ASP 119 HB3 ASP 119 -1.410 2.402 -9.662 970 H ILE 120 H ILE 120 -2.536 4.915 -7.761 971 HA ILE 120 HA ILE 120 -2.699 6.647 -10.159 972 HB ILE 120 HB ILE 120 -3.601 8.483 -8.997 973 HG12 ILE 120 HG12 ILE 120 -2.242 8.596 -6.972 974 HG13 ILE 120 HG13 ILE 120 -3.930 8.574 -6.490 975 HG21 ILE 120 HG21 ILE 120 -5.598 7.547 -7.659 976 HG22 ILE 120 HG22 ILE 120 -4.955 5.962 -8.077 977 HG23 ILE 120 HG23 ILE 120 -5.422 7.089 -9.349 978 HD11 ILE 120 HD11 ILE 120 -3.629 5.981 -6.288 979 HD12 ILE 120 HD12 ILE 120 -2.976 7.001 -5.007 980 HD13 ILE 120 HD13 ILE 120 -1.904 6.347 -6.245 981 H GLU 121 H GLU 121 -1.436 8.721 -9.862 982 HA GLU 121 HA GLU 121 1.213 8.126 -8.685 983 HB2 GLU 121 HB2 GLU 121 0.505 9.682 -11.183 984 HB3 GLU 121 HB3 GLU 121 2.125 9.577 -10.501 985 HG2 GLU 121 HG2 GLU 121 2.086 7.126 -10.768 986 HG3 GLU 121 HG3 GLU 121 0.456 7.223 -11.434 987 H VAL 122 H VAL 122 2.399 9.982 -7.852 988 HA VAL 122 HA VAL 122 0.641 12.265 -7.149 989 HB VAL 122 HB VAL 122 1.859 12.458 -5.011 990 HG11 VAL 122 HG11 VAL 122 0.607 9.751 -5.556 991 HG12 VAL 122 HG12 VAL 122 -0.250 11.221 -5.088 992 HG13 VAL 122 HG13 VAL 122 0.854 10.444 -3.953 993 HG21 VAL 122 HG21 VAL 122 3.966 11.441 -5.505 994 HG22 VAL 122 HG22 VAL 122 3.202 9.940 -6.023 995 HG23 VAL 122 HG23 VAL 122 3.192 10.393 -4.320 996 H GLU 123 H GLU 123 1.660 14.305 -6.773 997 HA GLU 123 HA GLU 123 3.262 15.020 -8.949 998 HB2 GLU 123 HB2 GLU 123 2.445 16.556 -6.502 999 HB3 GLU 123 HB3 GLU 123 3.393 17.283 -7.798 1000 HG2 GLU 123 HG2 GLU 123 1.656 16.810 -9.420 1001 HG3 GLU 123 HG3 GLU 123 0.742 15.877 -8.238 1002 H HIS 124 H HIS 124 4.324 15.560 -5.532 1003 HA HIS 124 HA HIS 124 7.055 15.796 -6.596 1004 HB2 HIS 124 HB2 HIS 124 5.971 17.667 -5.305 1005 HB3 HIS 124 HB3 HIS 124 6.120 16.656 -3.865 1006 HD2 HIS 124 HD2 HIS 124 8.350 18.923 -6.097 1007 HE1 HIS 124 HE1 HIS 124 10.899 17.054 -3.299 1008 HE2 HIS 124 HE2 HIS 124 10.756 18.849 -5.090 1009 H ASN 125 H ASN 125 5.665 14.444 -3.555 1010 HA ASN 125 HA ASN 125 8.076 13.235 -2.790 1011 HB2 ASN 125 HB2 ASN 125 6.329 13.791 -1.199 1012 HB3 ASN 125 HB3 ASN 125 5.263 12.560 -1.899 1013 HD21 ASN 125 HD21 ASN 125 8.696 12.681 -0.757 1014 HD22 ASN 125 HD22 ASN 125 8.587 11.241 0.134 1015 H HIS 126 H HIS 126 5.690 12.140 -5.025 1016 HA HIS 126 HA HIS 126 5.492 10.244 -6.310 1017 HB2 HIS 126 HB2 HIS 126 8.425 10.112 -5.607 1018 HB3 HIS 126 HB3 HIS 126 7.658 8.929 -6.663 1019 HD2 HIS 126 HD2 HIS 126 7.157 9.832 -9.267 1020 HE1 HIS 126 HE1 HIS 126 8.436 13.811 -8.700 1021 HE2 HIS 126 HE2 HIS 126 7.679 12.109 -10.426 1022 H ASN 127 H ASN 127 4.872 10.071 -3.424 1023 HA ASN 127 HA ASN 127 4.887 7.131 -3.257 1024 HB2 ASN 127 HB2 ASN 127 5.303 8.790 -0.770 1025 HB3 ASN 127 HB3 ASN 127 5.493 7.059 -0.971 1026 HD21 ASN 127 HD21 ASN 127 7.138 6.988 -3.318 1027 HD22 ASN 127 HD22 ASN 127 8.630 7.708 -2.949 1028 H PHE 128 H PHE 128 3.143 6.263 -1.991 1029 HA PHE 128 HA PHE 128 1.123 8.091 -1.014 1030 HB2 PHE 128 HB2 PHE 128 -0.721 7.231 -2.351 1031 HB3 PHE 128 HB3 PHE 128 0.528 7.838 -3.431 1032 HD1 PHE 128 HD1 PHE 128 -1.217 4.860 -2.183 1033 HD2 PHE 128 HD2 PHE 128 1.924 6.268 -4.753 1034 HE1 PHE 128 HE1 PHE 128 -1.131 2.644 -3.289 1035 HE2 PHE 128 HE2 PHE 128 2.005 4.044 -5.859 1036 HZ PHE 128 HZ PHE 128 0.480 2.236 -5.126 1037 H VAL 129 H VAL 129 -0.579 6.961 0.225 1038 HA VAL 129 HA VAL 129 0.483 4.435 1.362 1039 HB VAL 129 HB VAL 129 -1.326 6.509 2.661 1040 HG11 VAL 129 HG11 VAL 129 -1.642 4.141 3.456 1041 HG12 VAL 129 HG12 VAL 129 -1.057 5.237 4.708 1042 HG13 VAL 129 HG13 VAL 129 0.060 4.122 3.922 1043 HG21 VAL 129 HG21 VAL 129 0.619 7.096 4.014 1044 HG22 VAL 129 HG22 VAL 129 1.050 7.245 2.310 1045 HG23 VAL 129 HG23 VAL 129 1.583 5.840 3.235 1046 H ALA 130 H ALA 130 -0.583 2.681 0.741 1047 HA ALA 130 HA ALA 130 -3.437 2.902 0.063 1048 HB1 ALA 130 HB1 ALA 130 -1.423 0.759 -0.607 1049 HB2 ALA 130 HB2 ALA 130 -2.074 1.978 -1.708 1050 HB3 ALA 130 HB3 ALA 130 -3.132 0.727 -1.051 1051 H ASN 131 H ASN 131 -4.795 2.359 1.604 1052 HA ASN 131 HA ASN 131 -5.699 1.424 3.478 1053 HB2 ASN 131 HB2 ASN 131 -5.640 -0.502 1.816 1054 HB3 ASN 131 HB3 ASN 131 -4.201 -1.054 2.665 1055 HD21 ASN 131 HD21 ASN 131 -6.600 -2.646 2.627 1056 HD22 ASN 131 HD22 ASN 131 -7.219 -2.704 4.203 1057 H GLY 132 H GLY 132 -3.362 2.882 4.014 1058 HA2 GLY 132 HA2 GLY 132 -2.157 3.321 5.958 1059 HA3 GLY 132 HA3 GLY 132 -2.576 1.724 6.554 1060 H LEU 133 H LEU 133 -1.345 1.252 3.495 1061 HA LEU 133 HA LEU 133 1.345 0.631 4.554 1062 HB2 LEU 133 HB2 LEU 133 0.013 -1.240 3.524 1063 HB3 LEU 133 HB3 LEU 133 0.065 -0.391 1.986 1064 HG LEU 133 HG LEU 133 2.614 -0.364 2.253 1065 HD11 LEU 133 HD11 LEU 133 1.820 -2.072 4.595 1066 HD12 LEU 133 HD12 LEU 133 3.134 -0.913 4.439 1067 HD13 LEU 133 HD13 LEU 133 3.279 -2.506 3.709 1068 HD21 LEU 133 HD21 LEU 133 1.419 -3.144 2.041 1069 HD22 LEU 133 HD22 LEU 133 2.838 -2.511 1.209 1070 HD23 LEU 133 HD23 LEU 133 1.233 -1.935 0.770 1071 H LEU 134 H LEU 134 2.979 1.968 4.028 1072 HA LEU 134 HA LEU 134 2.633 3.987 1.994 1073 HB2 LEU 134 HB2 LEU 134 3.795 4.637 4.020 1074 HB3 LEU 134 HB3 LEU 134 4.976 3.349 3.823 1075 HG LEU 134 HG LEU 134 5.805 4.442 1.745 1076 HD11 LEU 134 HD11 LEU 134 3.940 5.621 0.877 1077 HD12 LEU 134 HD12 LEU 134 5.053 6.885 1.396 1078 HD13 LEU 134 HD13 LEU 134 3.658 6.473 2.398 1079 HD21 LEU 134 HD21 LEU 134 5.699 6.122 4.258 1080 HD22 LEU 134 HD22 LEU 134 6.735 6.520 2.886 1081 HD23 LEU 134 HD23 LEU 134 6.974 5.015 3.762 1082 H VAL 135 H VAL 135 3.087 3.817 -0.046 1083 HA VAL 135 HA VAL 135 4.945 1.721 -0.992 1084 HB VAL 135 HB VAL 135 2.341 2.664 -2.250 1085 HG11 VAL 135 HG11 VAL 135 2.720 0.798 -3.839 1086 HG12 VAL 135 HG12 VAL 135 4.323 0.562 -3.138 1087 HG13 VAL 135 HG13 VAL 135 3.941 2.065 -3.983 1088 HG21 VAL 135 HG21 VAL 135 3.096 -0.018 -1.038 1089 HG22 VAL 135 HG22 VAL 135 1.531 0.406 -1.734 1090 HG23 VAL 135 HG23 VAL 135 2.078 1.190 -0.252 1091 H HIS 136 H HIS 136 6.496 2.316 -2.387 1092 HA HIS 136 HA HIS 136 6.902 5.119 -3.047 1093 HB2 HIS 136 HB2 HIS 136 8.820 3.712 -2.310 1094 HB3 HIS 136 HB3 HIS 136 8.572 2.655 -3.679 1095 HD2 HIS 136 HD2 HIS 136 9.973 3.462 -5.944 1096 HE1 HIS 136 HE1 HIS 136 10.880 7.392 -4.702 1097 HE2 HIS 136 HE2 HIS 136 11.250 5.663 -6.524 1098 H ASN 137 H ASN 137 5.904 5.974 -4.834 1099 HA ASN 137 HA ASN 137 6.170 4.571 -7.384 1100 HB2 ASN 137 HB2 ASN 137 4.016 3.744 -6.623 1101 HB3 ASN 137 HB3 ASN 137 3.469 5.383 -6.282 1102 HD21 ASN 137 HD21 ASN 137 4.442 3.222 -8.976 1103 HD22 ASN 137 HD22 ASN 137 3.586 4.072 -10.170 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 2.417 -0.389 -5.694 2 H2 GLU 1 HT2 GLU 1 2.793 1.247 -5.433 3 H3 GLU 1 HT3 GLU 1 4.037 0.102 -5.602 4 HA GLU 1 HA GLU 1 3.308 1.651 -7.571 5 HB2 GLU 1 HB2 GLU 1 5.046 -0.298 -7.395 6 HB3 GLU 1 HB3 GLU 1 3.793 -1.257 -8.180 7 HG2 GLU 1 HG2 GLU 1 5.303 -0.338 -9.878 8 HG3 GLU 1 HG3 GLU 1 3.709 0.394 -10.038 9 H ALA 2 H ALA 2 1.715 -1.468 -6.969 10 HA ALA 2 HA ALA 2 -0.633 -0.514 -8.464 11 HB1 ALA 2 HB1 ALA 2 -0.567 -2.162 -10.016 12 HB2 ALA 2 HB2 ALA 2 -0.018 -3.374 -8.861 13 HB3 ALA 2 HB3 ALA 2 1.138 -2.270 -9.598 14 H LEU 3 H LEU 3 -2.575 -1.064 -7.562 15 HA LEU 3 HA LEU 3 -2.541 -2.935 -5.256 16 HB2 LEU 3 HB2 LEU 3 -3.785 -0.210 -5.583 17 HB3 LEU 3 HB3 LEU 3 -4.535 -1.382 -4.505 18 HG LEU 3 HG LEU 3 -2.996 0.126 -3.275 19 HD11 LEU 3 HD11 LEU 3 -1.781 -2.637 -3.342 20 HD12 LEU 3 HD12 LEU 3 -3.331 -2.283 -2.583 21 HD13 LEU 3 HD13 LEU 3 -1.858 -1.514 -1.988 22 HD21 LEU 3 HD21 LEU 3 -0.741 0.443 -3.792 23 HD22 LEU 3 HD22 LEU 3 -1.384 0.198 -5.413 24 HD23 LEU 3 HD23 LEU 3 -0.579 -1.124 -4.580 25 H THR 4 H THR 4 -4.379 -4.279 -5.013 26 HA THR 4 HA THR 4 -5.730 -4.955 -7.445 27 HB THR 4 HB THR 4 -7.012 -6.556 -6.079 28 HG1 THR 4 HG1 THR 4 -7.443 -5.877 -4.152 29 HG21 THR 4 HG21 THR 4 -5.192 -7.893 -5.315 30 HG22 THR 4 HG22 THR 4 -4.175 -6.478 -5.047 31 HG23 THR 4 HG23 THR 4 -4.583 -6.972 -6.690 32 H GLY 5 H GLY 5 -8.087 -4.884 -7.777 33 HA2 GLY 5 HA2 GLY 5 -9.160 -2.317 -7.519 34 HA3 GLY 5 HA3 GLY 5 -10.084 -3.750 -7.953 35 H ASP 6 H ASP 6 -9.658 -5.206 -5.578 36 HA ASP 6 HA ASP 6 -11.740 -4.169 -3.929 37 HB2 ASP 6 HB2 ASP 6 -9.827 -6.471 -3.564 38 HB3 ASP 6 HB3 ASP 6 -11.112 -6.089 -2.415 39 H ALA 7 H ALA 7 -8.272 -3.852 -3.838 40 HA ALA 7 HA ALA 7 -7.958 -3.247 -1.088 41 HB1 ALA 7 HB1 ALA 7 -5.937 -3.758 -2.061 42 HB2 ALA 7 HB2 ALA 7 -5.851 -1.996 -2.070 43 HB3 ALA 7 HB3 ALA 7 -6.289 -2.863 -3.533 44 H LEU 8 H LEU 8 -7.357 -1.149 -0.166 45 HA LEU 8 HA LEU 8 -8.779 1.103 -1.456 46 HB2 LEU 8 HB2 LEU 8 -9.446 1.886 0.780 47 HB3 LEU 8 HB3 LEU 8 -10.159 0.330 0.383 48 HG LEU 8 HG LEU 8 -7.517 0.322 1.860 49 HD11 LEU 8 HD11 LEU 8 -10.127 0.648 3.350 50 HD12 LEU 8 HD12 LEU 8 -9.070 2.014 2.987 51 HD13 LEU 8 HD13 LEU 8 -8.486 0.692 3.998 52 HD21 LEU 8 HD21 LEU 8 -8.778 -1.637 3.002 53 HD22 LEU 8 HD22 LEU 8 -8.366 -1.849 1.305 54 HD23 LEU 8 HD23 LEU 8 -10.008 -1.406 1.761 55 H ILE 9 H ILE 9 -7.962 3.134 -1.207 56 HA ILE 9 HA ILE 9 -5.251 3.376 -0.074 57 HB ILE 9 HB ILE 9 -6.305 4.683 -2.613 58 HG12 ILE 9 HG12 ILE 9 -4.077 2.634 -2.313 59 HG13 ILE 9 HG13 ILE 9 -5.740 2.181 -2.679 60 HG21 ILE 9 HG21 ILE 9 -4.653 6.051 -1.262 61 HG22 ILE 9 HG22 ILE 9 -4.065 5.607 -2.863 62 HG23 ILE 9 HG23 ILE 9 -3.496 4.731 -1.440 63 HD11 ILE 9 HD11 ILE 9 -5.697 3.510 -4.733 64 HD12 ILE 9 HD12 ILE 9 -4.327 2.400 -4.737 65 HD13 ILE 9 HD13 ILE 9 -4.080 4.102 -4.348 66 H LEU 10 H LEU 10 -4.853 5.115 1.199 67 HA LEU 10 HA LEU 10 -7.009 6.614 2.289 68 HB2 LEU 10 HB2 LEU 10 -4.006 6.859 2.484 69 HB3 LEU 10 HB3 LEU 10 -5.097 7.968 3.313 70 HG LEU 10 HG LEU 10 -5.327 4.963 3.617 71 HD11 LEU 10 HD11 LEU 10 -3.911 5.020 5.521 72 HD12 LEU 10 HD12 LEU 10 -3.926 6.778 5.603 73 HD13 LEU 10 HD13 LEU 10 -3.033 5.962 4.319 74 HD21 LEU 10 HD21 LEU 10 -6.363 5.836 5.852 75 HD22 LEU 10 HD22 LEU 10 -7.302 6.066 4.381 76 HD23 LEU 10 HD23 LEU 10 -6.396 7.411 5.064 77 H SER 11 H SER 11 -7.818 8.589 1.778 78 HA SER 11 HA SER 11 -6.389 10.199 -0.231 79 HB2 SER 11 HB2 SER 11 -8.588 10.821 -1.166 80 HB3 SER 11 HB3 SER 11 -8.260 9.100 -1.332 81 HG SER 11 HG SER 11 -9.653 8.693 0.339 82 H ASP 12 H ASP 12 -7.882 12.460 -0.230 83 HA ASP 12 HA ASP 12 -7.051 13.731 2.139 84 HB2 ASP 12 HB2 ASP 12 -7.425 14.930 0.007 85 HB3 ASP 12 HB3 ASP 12 -9.154 14.674 0.159 86 H ARG 13 H ARG 13 -10.192 12.445 1.135 87 HA ARG 13 HA ARG 13 -11.575 13.274 3.506 88 HB2 ARG 13 HB2 ARG 13 -12.720 12.897 1.363 89 HB3 ARG 13 HB3 ARG 13 -12.284 11.192 1.446 90 HG2 ARG 13 HG2 ARG 13 -13.671 10.830 3.369 91 HG3 ARG 13 HG3 ARG 13 -13.922 12.563 3.593 92 HD2 ARG 13 HD2 ARG 13 -15.890 11.517 2.530 93 HD3 ARG 13 HD3 ARG 13 -15.126 12.680 1.451 94 HE ARG 13 HE ARG 13 -14.010 10.145 0.936 95 HH11 ARG 13 HH11 ARG 13 -17.092 11.803 0.571 96 HH12 ARG 13 HH12 ARG 13 -17.573 10.868 -0.806 97 HH21 ARG 13 HH21 ARG 13 -14.684 8.959 -0.882 98 HH22 ARG 13 HH22 ARG 13 -16.218 9.270 -1.618 99 H GLY 14 H GLY 14 -9.838 10.296 2.557 100 HA2 GLY 14 HA2 GLY 14 -8.931 9.295 4.830 101 HA3 GLY 14 HA3 GLY 14 -10.640 8.963 5.069 102 H TRP 15 H TRP 15 -9.946 6.692 5.212 103 HA TRP 15 HA TRP 15 -8.740 5.235 3.091 104 HB2 TRP 15 HB2 TRP 15 -10.318 4.548 5.544 105 HB3 TRP 15 HB3 TRP 15 -10.228 3.311 4.303 106 HD1 TRP 15 HD1 TRP 15 -7.371 3.284 3.337 107 HE1 TRP 15 HE1 TRP 15 -5.380 2.798 4.897 108 HE3 TRP 15 HE3 TRP 15 -9.474 4.428 7.854 109 HZ2 TRP 15 HZ2 TRP 15 -4.756 2.875 7.683 110 HZ3 TRP 15 HZ3 TRP 15 -8.155 4.208 9.944 111 HH2 TRP 15 HH2 TRP 15 -5.799 3.433 9.862 112 H LEU 16 H LEU 16 -9.514 4.927 1.091 113 HA LEU 16 HA LEU 16 -12.346 4.226 0.772 114 HB2 LEU 16 HB2 LEU 16 -10.982 6.609 -0.391 115 HB3 LEU 16 HB3 LEU 16 -12.181 5.791 -1.375 116 HG LEU 16 HG LEU 16 -13.133 6.210 1.424 117 HD11 LEU 16 HD11 LEU 16 -11.620 8.236 0.943 118 HD12 LEU 16 HD12 LEU 16 -13.254 8.513 1.532 119 HD13 LEU 16 HD13 LEU 16 -12.884 8.728 -0.182 120 HD21 LEU 16 HD21 LEU 16 -14.195 6.896 -1.339 121 HD22 LEU 16 HD22 LEU 16 -15.080 7.236 0.148 122 HD23 LEU 16 HD23 LEU 16 -14.708 5.570 -0.295 123 H ARG 17 H ARG 17 -12.866 3.275 -1.291 124 HA ARG 17 HA ARG 17 -11.146 1.223 -2.061 125 HB2 ARG 17 HB2 ARG 17 -13.702 1.604 -2.531 126 HB3 ARG 17 HB3 ARG 17 -13.130 2.393 -3.989 127 HG2 ARG 17 HG2 ARG 17 -13.113 0.322 -4.938 128 HG3 ARG 17 HG3 ARG 17 -11.630 0.038 -4.040 129 HD2 ARG 17 HD2 ARG 17 -14.355 -0.515 -2.838 130 HD3 ARG 17 HD3 ARG 17 -13.509 -1.704 -3.811 131 HE ARG 17 HE ARG 17 -11.827 -1.866 -2.132 132 HH11 ARG 17 HH11 ARG 17 -14.379 0.386 -1.182 133 HH12 ARG 17 HH12 ARG 17 -13.923 0.363 0.483 134 HH21 ARG 17 HH21 ARG 17 -11.303 -1.862 0.058 135 HH22 ARG 17 HH22 ARG 17 -12.202 -0.896 1.180 136 H ILE 18 H ILE 18 -9.665 0.964 -3.666 137 HA ILE 18 HA ILE 18 -7.971 2.998 -4.409 138 HB ILE 18 HB ILE 18 -7.150 1.464 -6.223 139 HG12 ILE 18 HG12 ILE 18 -8.311 -0.934 -5.977 140 HG13 ILE 18 HG13 ILE 18 -9.700 -0.004 -5.460 141 HG21 ILE 18 HG21 ILE 18 -7.399 0.761 -3.334 142 HG22 ILE 18 HG22 ILE 18 -5.977 0.948 -4.347 143 HG23 ILE 18 HG23 ILE 18 -6.887 -0.547 -4.402 144 HD11 ILE 18 HD11 ILE 18 -8.795 1.311 -7.810 145 HD12 ILE 18 HD12 ILE 18 -10.190 0.252 -7.651 146 HD13 ILE 18 HD13 ILE 18 -8.636 -0.409 -8.123 147 H ASP 19 H ASP 19 -11.038 2.265 -5.874 148 HA ASP 19 HA ASP 19 -10.373 3.963 -8.190 149 HB2 ASP 19 HB2 ASP 19 -11.038 1.755 -8.831 150 HB3 ASP 19 HB3 ASP 19 -12.525 1.853 -7.892 151 H ASP 20 H ASP 20 -11.483 4.664 -5.344 152 HA ASP 20 HA ASP 20 -14.021 5.876 -5.876 153 HB2 ASP 20 HB2 ASP 20 -12.160 6.059 -3.514 154 HB3 ASP 20 HB3 ASP 20 -13.662 6.974 -3.605 155 HA PRO 21 HA PRO 21 -13.106 9.852 -7.648 156 HB2 PRO 21 HB2 PRO 21 -14.817 11.044 -5.512 157 HB3 PRO 21 HB3 PRO 21 -14.899 11.243 -7.276 158 HG2 PRO 21 HG2 PRO 21 -16.659 9.731 -6.076 159 HG3 PRO 21 HG3 PRO 21 -15.916 9.178 -7.590 160 HD2 PRO 21 HD2 PRO 21 -15.308 8.309 -4.780 161 HD3 PRO 21 HD3 PRO 21 -15.439 7.332 -6.267 162 H THR 22 H THR 22 -12.906 9.651 -4.099 163 HA THR 22 HA THR 22 -11.590 12.053 -3.552 164 HB THR 22 HB THR 22 -10.686 10.832 -1.542 165 HG1 THR 22 HG1 THR 22 -11.213 8.750 -1.282 166 HG21 THR 22 HG21 THR 22 -13.648 10.531 -2.024 167 HG22 THR 22 HG22 THR 22 -12.850 12.064 -1.666 168 HG23 THR 22 HG23 THR 22 -12.828 10.769 -0.481 169 H LEU 23 H LEU 23 -9.965 8.867 -3.903 170 HA LEU 23 HA LEU 23 -7.438 10.193 -4.022 171 HB2 LEU 23 HB2 LEU 23 -6.410 8.064 -4.370 172 HB3 LEU 23 HB3 LEU 23 -7.659 7.881 -3.151 173 HG LEU 23 HG LEU 23 -8.567 7.370 -5.971 174 HD11 LEU 23 HD11 LEU 23 -6.101 6.221 -5.330 175 HD12 LEU 23 HD12 LEU 23 -7.223 5.672 -6.556 176 HD13 LEU 23 HD13 LEU 23 -7.249 4.934 -4.960 177 HD21 LEU 23 HD21 LEU 23 -8.902 5.468 -3.650 178 HD22 LEU 23 HD22 LEU 23 -10.028 5.858 -4.946 179 HD23 LEU 23 HD23 LEU 23 -9.788 6.992 -3.625 180 H GLN 24 H GLN 24 -9.825 9.531 -6.411 181 HA GLN 24 HA GLN 24 -7.923 9.787 -8.620 182 HB2 GLN 24 HB2 GLN 24 -10.927 9.462 -8.614 183 HB3 GLN 24 HB3 GLN 24 -9.930 9.548 -10.065 184 HG2 GLN 24 HG2 GLN 24 -8.626 7.568 -9.226 185 HG3 GLN 24 HG3 GLN 24 -9.749 7.461 -7.874 186 HE21 GLN 24 HE21 GLN 24 -9.629 5.253 -9.403 187 HE22 GLN 24 HE22 GLN 24 -10.964 5.088 -10.427 188 H GLU 25 H GLU 25 -9.539 11.981 -6.600 189 HA GLU 25 HA GLU 25 -9.369 14.094 -8.663 190 HB2 GLU 25 HB2 GLU 25 -11.639 13.728 -6.703 191 HB3 GLU 25 HB3 GLU 25 -11.438 15.113 -7.774 192 HG2 GLU 25 HG2 GLU 25 -11.709 12.229 -8.689 193 HG3 GLU 25 HG3 GLU 25 -13.000 13.425 -8.728 194 H CYS 26 H CYS 26 -8.834 13.228 -5.315 195 HA CYS 26 HA CYS 26 -7.745 15.931 -4.859 196 HB2 CYS 26 HB2 CYS 26 -8.561 16.009 -2.607 197 HB3 CYS 26 HB3 CYS 26 -9.920 15.608 -3.641 198 HG CYS 26 HG CYS 26 -8.847 13.021 -2.741 199 H ARG 27 H ARG 27 -6.462 15.837 -2.648 200 HA ARG 27 HA ARG 27 -4.112 14.460 -3.302 201 HB2 ARG 27 HB2 ARG 27 -4.886 15.789 -0.706 202 HB3 ARG 27 HB3 ARG 27 -3.257 15.283 -1.151 203 HG2 ARG 27 HG2 ARG 27 -3.175 16.834 -2.973 204 HG3 ARG 27 HG3 ARG 27 -4.896 17.200 -2.816 205 HD2 ARG 27 HD2 ARG 27 -2.823 17.758 -0.680 206 HD3 ARG 27 HD3 ARG 27 -3.440 18.961 -1.810 207 HE ARG 27 HE ARG 27 -5.655 17.769 -0.547 208 HH11 ARG 27 HH11 ARG 27 -2.917 19.785 0.350 209 HH12 ARG 27 HH12 ARG 27 -3.747 20.540 1.670 210 HH21 ARG 27 HH21 ARG 27 -6.702 18.786 1.188 211 HH22 ARG 27 HH22 ARG 27 -5.878 19.975 2.139 212 H VAL 28 H VAL 28 -2.941 12.894 -2.149 213 HA VAL 28 HA VAL 28 -4.484 11.172 -0.319 214 HB VAL 28 HB VAL 28 -3.423 9.164 -1.329 215 HG11 VAL 28 HG11 VAL 28 -4.728 9.343 -3.570 216 HG12 VAL 28 HG12 VAL 28 -5.180 10.953 -3.014 217 HG13 VAL 28 HG13 VAL 28 -5.628 9.536 -2.069 218 HG21 VAL 28 HG21 VAL 28 -2.497 11.148 -3.442 219 HG22 VAL 28 HG22 VAL 28 -2.370 9.394 -3.575 220 HG23 VAL 28 HG23 VAL 28 -1.450 10.253 -2.337 221 H LEU 29 H LEU 29 -3.118 9.855 1.103 222 HA LEU 29 HA LEU 29 -1.081 11.477 2.253 223 HB2 LEU 29 HB2 LEU 29 -2.082 8.714 2.919 224 HB3 LEU 29 HB3 LEU 29 -0.810 9.518 3.836 225 HG LEU 29 HG LEU 29 -3.519 10.787 3.335 226 HD11 LEU 29 HD11 LEU 29 -2.630 9.392 5.871 227 HD12 LEU 29 HD12 LEU 29 -3.597 8.592 4.633 228 HD13 LEU 29 HD13 LEU 29 -4.239 10.000 5.476 229 HD21 LEU 29 HD21 LEU 29 -2.737 12.052 5.469 230 HD22 LEU 29 HD22 LEU 29 -1.912 12.448 3.963 231 HD23 LEU 29 HD23 LEU 29 -1.144 11.375 5.132 232 H SER 30 H SER 30 1.051 11.277 2.405 233 HA SER 30 HA SER 30 2.507 9.009 1.281 234 HB2 SER 30 HB2 SER 30 3.838 10.362 -0.240 235 HB3 SER 30 HB3 SER 30 2.146 10.523 -0.679 236 HG SER 30 HG SER 30 2.154 12.547 0.026 237 H TYR 31 H TYR 31 4.847 9.169 1.808 238 HA TYR 31 HA TYR 31 5.255 10.773 4.247 239 HB2 TYR 31 HB2 TYR 31 5.502 8.276 4.423 240 HB3 TYR 31 HB3 TYR 31 6.848 8.381 3.286 241 HD1 TYR 31 HD1 TYR 31 5.656 9.331 6.665 242 HD2 TYR 31 HD2 TYR 31 8.993 9.269 3.961 243 HE1 TYR 31 HE1 TYR 31 7.179 9.911 8.533 244 HE2 TYR 31 HE2 TYR 31 10.517 9.848 5.829 245 HH TYR 31 HH TYR 31 9.749 9.533 8.990 246 H ASN 32 H ASN 32 6.385 12.544 3.975 247 HA ASN 32 HA ASN 32 8.000 12.920 1.607 248 HB2 ASN 32 HB2 ASN 32 6.833 14.622 3.710 249 HB3 ASN 32 HB3 ASN 32 8.403 15.171 3.128 250 HD21 ASN 32 HD21 ASN 32 8.566 15.822 0.884 251 HD22 ASN 32 HD22 ASN 32 7.185 16.104 -0.068 252 H GLU 33 H GLU 33 9.729 11.587 1.781 253 HA GLU 33 HA GLU 33 11.346 11.206 4.063 254 HB2 GLU 33 HB2 GLU 33 11.977 10.992 1.116 255 HB3 GLU 33 HB3 GLU 33 13.114 10.532 2.385 256 HG2 GLU 33 HG2 GLU 33 11.589 8.881 3.253 257 HG3 GLU 33 HG3 GLU 33 10.305 9.421 2.177 258 H SER 34 H SER 34 11.146 13.819 1.796 259 HA SER 34 HA SER 34 13.672 14.990 2.049 260 HB2 SER 34 HB2 SER 34 12.090 15.643 0.317 261 HB3 SER 34 HB3 SER 34 10.972 16.254 1.531 262 HG SER 34 HG SER 34 12.912 17.557 0.354 263 H THR 35 H THR 35 10.687 15.503 3.972 264 HA THR 35 HA THR 35 12.328 16.986 5.958 265 HB THR 35 HB THR 35 10.228 18.127 6.634 266 HG1 THR 35 HG1 THR 35 8.482 17.908 5.181 267 HG21 THR 35 HG21 THR 35 11.136 18.322 3.756 268 HG22 THR 35 HG22 THR 35 11.681 19.294 5.123 269 HG23 THR 35 HG23 THR 35 10.040 19.483 4.505 270 H GLN 36 H GLN 36 11.001 14.020 5.578 271 HA GLN 36 HA GLN 36 10.541 12.272 6.962 272 HB2 GLN 36 HB2 GLN 36 11.760 14.060 9.083 273 HB3 GLN 36 HB3 GLN 36 11.473 12.331 9.247 274 HG2 GLN 36 HG2 GLN 36 13.732 12.431 8.604 275 HG3 GLN 36 HG3 GLN 36 12.908 12.114 7.080 276 HE21 GLN 36 HE21 GLN 36 14.239 13.258 5.612 277 HE22 GLN 36 HE22 GLN 36 14.569 14.918 5.737 278 H GLN 37 H GLN 37 8.353 14.123 6.528 279 HA GLN 37 HA GLN 37 6.720 13.316 8.808 280 HB2 GLN 37 HB2 GLN 37 6.905 16.210 7.947 281 HB3 GLN 37 HB3 GLN 37 5.611 15.563 8.955 282 HG2 GLN 37 HG2 GLN 37 7.249 14.840 10.620 283 HG3 GLN 37 HG3 GLN 37 8.565 15.411 9.597 284 HE21 GLN 37 HE21 GLN 37 9.140 17.604 9.754 285 HE22 GLN 37 HE22 GLN 37 8.272 18.747 10.661 286 H TRP 38 H TRP 38 4.380 13.485 8.419 287 HA TRP 38 HA TRP 38 3.755 12.470 5.794 288 HB2 TRP 38 HB2 TRP 38 2.063 12.997 8.237 289 HB3 TRP 38 HB3 TRP 38 1.430 12.305 6.747 290 HD1 TRP 38 HD1 TRP 38 3.155 11.412 9.898 291 HE1 TRP 38 HE1 TRP 38 3.826 8.928 9.878 292 HE3 TRP 38 HE3 TRP 38 2.371 10.324 4.967 293 HZ2 TRP 38 HZ2 TRP 38 4.016 6.763 8.021 294 HZ3 TRP 38 HZ3 TRP 38 2.807 8.038 4.100 295 HH2 TRP 38 HH2 TRP 38 3.628 6.259 5.622 296 H GLU 39 H GLU 39 2.605 13.382 4.163 297 HA GLU 39 HA GLU 39 1.150 15.870 4.572 298 HB2 GLU 39 HB2 GLU 39 3.490 15.702 2.677 299 HB3 GLU 39 HB3 GLU 39 2.198 16.886 2.485 300 HG2 GLU 39 HG2 GLU 39 2.635 17.806 4.687 301 HG3 GLU 39 HG3 GLU 39 3.818 16.548 5.020 302 H TRP 40 H TRP 40 -0.182 16.484 2.756 303 HA TRP 40 HA TRP 40 -1.133 14.125 1.276 304 HB2 TRP 40 HB2 TRP 40 -2.427 16.618 2.310 305 HB3 TRP 40 HB3 TRP 40 -3.008 16.052 0.759 306 HD1 TRP 40 HD1 TRP 40 -3.759 13.358 0.723 307 HE1 TRP 40 HE1 TRP 40 -5.066 12.054 2.521 308 HE3 TRP 40 HE3 TRP 40 -2.955 16.378 4.765 309 HZ2 TRP 40 HZ2 TRP 40 -5.691 12.261 5.293 310 HZ3 TRP 40 HZ3 TRP 40 -3.924 15.801 6.976 311 HH2 TRP 40 HH2 TRP 40 -5.291 13.745 7.244 312 H GLN 41 H GLN 41 -0.439 13.881 -0.708 313 HA GLN 41 HA GLN 41 0.368 16.235 -2.292 314 HB2 GLN 41 HB2 GLN 41 1.090 13.309 -2.490 315 HB3 GLN 41 HB3 GLN 41 1.489 14.485 -3.742 316 HG2 GLN 41 HG2 GLN 41 2.801 15.798 -2.195 317 HG3 GLN 41 HG3 GLN 41 2.246 14.839 -0.829 318 HE21 GLN 41 HE21 GLN 41 4.467 14.269 -0.286 319 HE22 GLN 41 HE22 GLN 41 5.331 13.143 -1.209 320 H GLN 42 H GLN 42 -0.402 16.505 -4.435 321 HA GLN 42 HA GLN 42 -3.117 15.686 -4.727 322 HB2 GLN 42 HB2 GLN 42 -1.228 17.377 -6.313 323 HB3 GLN 42 HB3 GLN 42 -2.761 16.881 -7.030 324 HG2 GLN 42 HG2 GLN 42 -2.531 18.276 -4.339 325 HG3 GLN 42 HG3 GLN 42 -2.800 19.132 -5.846 326 HE21 GLN 42 HE21 GLN 42 -4.505 16.132 -6.039 327 HE22 GLN 42 HE22 GLN 42 -6.019 16.702 -5.531 328 H VAL 43 H VAL 43 -4.008 14.216 -5.958 329 HA VAL 43 HA VAL 43 -2.380 12.160 -7.117 330 HB VAL 43 HB VAL 43 -4.537 11.045 -7.595 331 HG11 VAL 43 HG11 VAL 43 -3.874 10.518 -5.430 332 HG12 VAL 43 HG12 VAL 43 -5.445 11.239 -5.097 333 HG13 VAL 43 HG13 VAL 43 -3.983 12.180 -4.863 334 HG21 VAL 43 HG21 VAL 43 -5.642 13.758 -6.835 335 HG22 VAL 43 HG22 VAL 43 -6.628 12.310 -6.646 336 HG23 VAL 43 HG23 VAL 43 -6.012 12.763 -8.238 337 H LEU 44 H LEU 44 -1.422 12.556 -8.963 338 HA LEU 44 HA LEU 44 -2.047 14.535 -10.816 339 HB2 LEU 44 HB2 LEU 44 -0.558 11.964 -11.093 340 HB3 LEU 44 HB3 LEU 44 -0.611 13.186 -12.361 341 HG LEU 44 HG LEU 44 0.342 13.726 -9.532 342 HD11 LEU 44 HD11 LEU 44 1.867 12.151 -10.471 343 HD12 LEU 44 HD12 LEU 44 2.627 13.731 -10.671 344 HD13 LEU 44 HD13 LEU 44 1.840 12.945 -12.044 345 HD21 LEU 44 HD21 LEU 44 1.484 15.677 -10.906 346 HD22 LEU 44 HD22 LEU 44 -0.219 15.814 -10.490 347 HD23 LEU 44 HD23 LEU 44 0.251 15.316 -12.116 348 H ARG 45 H ARG 45 -2.748 11.023 -10.962 349 HA ARG 45 HA ARG 45 -5.136 11.377 -12.517 350 HB2 ARG 45 HB2 ARG 45 -3.475 11.951 -14.241 351 HB3 ARG 45 HB3 ARG 45 -2.656 10.413 -13.984 352 HG2 ARG 45 HG2 ARG 45 -4.647 9.194 -14.746 353 HG3 ARG 45 HG3 ARG 45 -5.555 10.703 -14.872 354 HD2 ARG 45 HD2 ARG 45 -4.768 10.036 -17.088 355 HD3 ARG 45 HD3 ARG 45 -3.945 11.507 -16.582 356 HE ARG 45 HE ARG 45 -2.430 9.197 -15.841 357 HH11 ARG 45 HH11 ARG 45 -3.250 11.156 -18.642 358 HH12 ARG 45 HH12 ARG 45 -1.793 10.765 -19.493 359 HH21 ARG 45 HH21 ARG 45 -0.535 8.727 -16.981 360 HH22 ARG 45 HH22 ARG 45 -0.266 9.398 -18.556 361 H TRP 46 H TRP 46 -6.229 9.403 -12.965 362 HA TRP 46 HA TRP 46 -5.463 7.195 -11.217 363 HB2 TRP 46 HB2 TRP 46 -7.837 8.027 -11.337 364 HB3 TRP 46 HB3 TRP 46 -7.905 7.456 -13.004 365 HD1 TRP 46 HD1 TRP 46 -6.751 5.873 -9.648 366 HE1 TRP 46 HE1 TRP 46 -7.722 3.497 -9.495 367 HE3 TRP 46 HE3 TRP 46 -9.320 5.690 -14.059 368 HZ2 TRP 46 HZ2 TRP 46 -9.368 1.756 -11.022 369 HZ3 TRP 46 HZ3 TRP 46 -10.593 3.649 -14.676 370 HH2 TRP 46 HH2 TRP 46 -10.618 1.681 -13.153 371 H LEU 47 H LEU 47 -4.203 5.619 -11.934 372 HA LEU 47 HA LEU 47 -4.069 5.054 -14.829 373 HB2 LEU 47 HB2 LEU 47 -2.049 4.898 -12.596 374 HB3 LEU 47 HB3 LEU 47 -1.846 3.898 -14.027 375 HG LEU 47 HG LEU 47 -0.575 6.017 -14.215 376 HD11 LEU 47 HD11 LEU 47 -2.872 6.161 -16.159 377 HD12 LEU 47 HD12 LEU 47 -1.649 4.891 -16.228 378 HD13 LEU 47 HD13 LEU 47 -1.179 6.579 -16.427 379 HD21 LEU 47 HD21 LEU 47 -3.229 7.487 -14.298 380 HD22 LEU 47 HD22 LEU 47 -1.608 8.182 -14.235 381 HD23 LEU 47 HD23 LEU 47 -2.270 7.357 -12.823 382 H ASP 48 H ASP 48 -5.131 3.280 -15.441 383 HA ASP 48 HA ASP 48 -5.725 1.137 -13.548 384 HB2 ASP 48 HB2 ASP 48 -7.067 0.194 -15.359 385 HB3 ASP 48 HB3 ASP 48 -7.458 1.894 -15.139 386 H GLN 49 H GLN 49 -5.214 -1.093 -14.019 387 HA GLN 49 HA GLN 49 -2.887 -1.507 -15.784 388 HB2 GLN 49 HB2 GLN 49 -3.050 -2.307 -12.874 389 HB3 GLN 49 HB3 GLN 49 -1.821 -2.890 -13.995 390 HG2 GLN 49 HG2 GLN 49 -0.986 -0.678 -14.379 391 HG3 GLN 49 HG3 GLN 49 -2.347 0.052 -13.534 392 HE21 GLN 49 HE21 GLN 49 -2.184 0.311 -11.288 393 HE22 GLN 49 HE22 GLN 49 -0.877 -0.254 -10.366 394 H GLY 50 H GLY 50 -5.767 -2.755 -14.292 395 HA2 GLY 50 HA2 GLY 50 -7.053 -4.607 -14.706 396 HA3 GLY 50 HA3 GLY 50 -6.224 -4.704 -16.254 397 H VAL 51 H VAL 51 -5.582 -6.727 -16.522 398 HA VAL 51 HA VAL 51 -5.160 -8.664 -14.595 399 HB VAL 51 HB VAL 51 -5.498 -9.123 -16.994 400 HG11 VAL 51 HG11 VAL 51 -3.883 -8.726 -18.660 401 HG12 VAL 51 HG12 VAL 51 -2.598 -8.459 -17.484 402 HG13 VAL 51 HG13 VAL 51 -3.865 -7.251 -17.694 403 HG21 VAL 51 HG21 VAL 51 -3.500 -10.849 -17.197 404 HG22 VAL 51 HG22 VAL 51 -4.689 -11.035 -15.916 405 HG23 VAL 51 HG23 VAL 51 -3.122 -10.314 -15.558 406 H ARG 52 H ARG 52 -3.795 -8.561 -12.921 407 HA ARG 52 HA ARG 52 -0.951 -8.407 -13.399 408 HB2 ARG 52 HB2 ARG 52 -1.469 -6.019 -13.269 409 HB3 ARG 52 HB3 ARG 52 -2.288 -6.264 -11.735 410 HG2 ARG 52 HG2 ARG 52 -0.068 -5.394 -11.263 411 HG3 ARG 52 HG3 ARG 52 -0.100 -7.084 -10.767 412 HD2 ARG 52 HD2 ARG 52 1.966 -6.601 -11.992 413 HD3 ARG 52 HD3 ARG 52 0.970 -7.722 -12.915 414 HE ARG 52 HE ARG 52 0.419 -5.024 -13.677 415 HH11 ARG 52 HH11 ARG 52 2.838 -7.544 -14.072 416 HH12 ARG 52 HH12 ARG 52 3.404 -6.931 -15.589 417 HH21 ARG 52 HH21 ARG 52 1.191 -4.258 -15.661 418 HH22 ARG 52 HH22 ARG 52 2.475 -5.082 -16.480 419 H GLU 53 H GLU 53 0.244 -9.354 -11.836 420 HA GLU 53 HA GLU 53 -1.083 -11.135 -9.990 421 HB2 GLU 53 HB2 GLU 53 0.998 -11.694 -11.299 422 HB3 GLU 53 HB3 GLU 53 1.878 -10.587 -10.251 423 HG2 GLU 53 HG2 GLU 53 1.158 -11.905 -8.277 424 HG3 GLU 53 HG3 GLU 53 0.329 -13.022 -9.357 425 H THR 54 H THR 54 -1.085 -11.060 -7.680 426 HA THR 54 HA THR 54 0.279 -8.761 -6.467 427 HB THR 54 HB THR 54 -1.988 -7.931 -7.021 428 HG1 THR 54 HG1 THR 54 -1.356 -8.283 -4.290 429 HG21 THR 54 HG21 THR 54 -3.866 -9.101 -6.608 430 HG22 THR 54 HG22 THR 54 -3.431 -9.285 -4.915 431 HG23 THR 54 HG23 THR 54 -2.878 -10.473 -6.099 432 H TRP 55 H TRP 55 0.727 -8.840 -4.287 433 HA TRP 55 HA TRP 55 0.239 -11.406 -2.891 434 HB2 TRP 55 HB2 TRP 55 2.700 -9.641 -2.937 435 HB3 TRP 55 HB3 TRP 55 2.420 -10.802 -1.649 436 HD1 TRP 55 HD1 TRP 55 1.542 -11.710 -5.307 437 HE1 TRP 55 HE1 TRP 55 3.147 -13.542 -6.097 438 HE3 TRP 55 HE3 TRP 55 4.773 -11.836 -1.363 439 HZ2 TRP 55 HZ2 TRP 55 5.487 -14.891 -5.204 440 HZ3 TRP 55 HZ3 TRP 55 6.691 -13.409 -1.360 441 HH2 TRP 55 HH2 TRP 55 7.049 -14.938 -3.280 442 H LYS 56 H LYS 56 -0.723 -11.212 -0.894 443 HA LYS 56 HA LYS 56 -1.393 -8.538 0.057 444 HB2 LYS 56 HB2 LYS 56 -3.234 -10.111 -0.275 445 HB3 LYS 56 HB3 LYS 56 -2.502 -11.236 0.867 446 HG2 LYS 56 HG2 LYS 56 -2.760 -9.550 2.677 447 HG3 LYS 56 HG3 LYS 56 -3.485 -8.428 1.517 448 HD2 LYS 56 HD2 LYS 56 -5.309 -10.026 1.093 449 HD3 LYS 56 HD3 LYS 56 -4.583 -11.166 2.225 450 HE2 LYS 56 HE2 LYS 56 -6.365 -9.947 3.353 451 HE3 LYS 56 HE3 LYS 56 -4.812 -9.463 4.031 452 HZ1 LYS 56 HZ1 LYS 56 -4.921 -7.415 3.069 453 HZ2 LYS 56 HZ2 LYS 56 -6.583 -7.701 3.282 454 HZ3 LYS 56 HZ3 LYS 56 -5.864 -7.941 1.762 455 H ILE 57 H ILE 57 0.158 -7.707 1.243 456 HA ILE 57 HA ILE 57 1.554 -9.194 3.295 457 HB ILE 57 HB ILE 57 1.601 -6.230 2.571 458 HG12 ILE 57 HG12 ILE 57 3.728 -8.351 2.232 459 HG13 ILE 57 HG13 ILE 57 2.559 -8.007 0.961 460 HG21 ILE 57 HG21 ILE 57 2.174 -6.494 4.951 461 HG22 ILE 57 HG22 ILE 57 3.652 -6.180 4.043 462 HG23 ILE 57 HG23 ILE 57 3.276 -7.819 4.571 463 HD11 ILE 57 HD11 ILE 57 3.375 -5.795 0.676 464 HD12 ILE 57 HD12 ILE 57 4.819 -6.799 0.824 465 HD13 ILE 57 HD13 ILE 57 4.267 -5.845 2.200 466 H LYS 58 H LYS 58 0.393 -9.770 4.921 467 HA LYS 58 HA LYS 58 -1.771 -8.117 5.969 468 HB2 LYS 58 HB2 LYS 58 -2.025 -10.569 5.518 469 HB3 LYS 58 HB3 LYS 58 -0.884 -10.875 6.820 470 HG2 LYS 58 HG2 LYS 58 -2.372 -9.580 8.386 471 HG3 LYS 58 HG3 LYS 58 -3.555 -9.443 7.089 472 HD2 LYS 58 HD2 LYS 58 -2.505 -12.107 8.072 473 HD3 LYS 58 HD3 LYS 58 -3.948 -11.345 8.739 474 HE2 LYS 58 HE2 LYS 58 -4.947 -11.293 6.455 475 HE3 LYS 58 HE3 LYS 58 -3.525 -12.132 5.836 476 HZ1 LYS 58 HZ1 LYS 58 -5.673 -13.133 7.557 477 HZ2 LYS 58 HZ2 LYS 58 -4.114 -13.783 7.756 478 HZ3 LYS 58 HZ3 LYS 58 -4.897 -13.885 6.251 479 H THR 59 H THR 59 -1.652 -6.943 7.792 480 HA THR 59 HA THR 59 0.528 -7.449 9.739 481 HB THR 59 HB THR 59 1.026 -5.115 10.003 482 HG1 THR 59 HG1 THR 59 -0.514 -3.777 9.708 483 HG21 THR 59 HG21 THR 59 2.071 -4.616 7.988 484 HG22 THR 59 HG22 THR 59 0.703 -5.175 7.025 485 HG23 THR 59 HG23 THR 59 1.785 -6.346 7.780 486 H PHE 60 H PHE 60 0.069 -6.388 11.872 487 HA PHE 60 HA PHE 60 -2.442 -7.256 12.810 488 HB2 PHE 60 HB2 PHE 60 -0.196 -5.688 14.046 489 HB3 PHE 60 HB3 PHE 60 -1.719 -5.856 14.912 490 HD1 PHE 60 HD1 PHE 60 1.037 -7.787 13.308 491 HD2 PHE 60 HD2 PHE 60 -2.280 -7.897 16.027 492 HE1 PHE 60 HE1 PHE 60 1.724 -10.046 14.051 493 HE2 PHE 60 HE2 PHE 60 -1.594 -10.161 16.771 494 HZ PHE 60 HZ PHE 60 0.410 -11.236 15.784 495 H GLN 61 H GLN 61 -1.301 -4.025 11.918 496 HA GLN 61 HA GLN 61 -3.784 -2.800 12.841 497 HB2 GLN 61 HB2 GLN 61 -1.391 -1.590 11.437 498 HB3 GLN 61 HB3 GLN 61 -2.773 -0.682 12.046 499 HG2 GLN 61 HG2 GLN 61 -2.290 -1.605 14.332 500 HG3 GLN 61 HG3 GLN 61 -0.827 -2.332 13.666 501 HE21 GLN 61 HE21 GLN 61 0.911 -1.078 14.335 502 HE22 GLN 61 HE22 GLN 61 0.953 0.626 14.273 503 H THR 62 H THR 62 -2.282 -3.743 9.793 504 HA THR 62 HA THR 62 -4.816 -3.246 8.407 505 HB THR 62 HB THR 62 -3.755 -1.982 6.596 506 HG1 THR 62 HG1 THR 62 -1.633 -2.821 6.985 507 HG21 THR 62 HG21 THR 62 -3.206 -0.714 9.291 508 HG22 THR 62 HG22 THR 62 -4.799 -0.802 8.538 509 HG23 THR 62 HG23 THR 62 -3.511 0.129 7.773 510 H GLU 63 H GLU 63 -4.490 -3.813 5.975 511 HA GLU 63 HA GLU 63 -2.569 -5.856 5.371 512 HB2 GLU 63 HB2 GLU 63 -4.206 -7.634 4.858 513 HB3 GLU 63 HB3 GLU 63 -4.250 -7.216 6.571 514 HG2 GLU 63 HG2 GLU 63 -6.218 -5.753 6.154 515 HG3 GLU 63 HG3 GLU 63 -6.183 -6.205 4.455 516 H ILE 64 H ILE 64 -2.197 -5.931 3.166 517 HA ILE 64 HA ILE 64 -4.149 -4.782 1.320 518 HB ILE 64 HB ILE 64 -3.011 -2.822 2.271 519 HG12 ILE 64 HG12 ILE 64 -2.112 -1.876 0.070 520 HG13 ILE 64 HG13 ILE 64 -2.390 -3.469 -0.630 521 HG21 ILE 64 HG21 ILE 64 -0.515 -4.189 1.241 522 HG22 ILE 64 HG22 ILE 64 -0.873 -3.706 2.900 523 HG23 ILE 64 HG23 ILE 64 -0.573 -2.479 1.670 524 HD11 ILE 64 HD11 ILE 64 -4.252 -1.632 -0.809 525 HD12 ILE 64 HD12 ILE 64 -4.629 -2.098 0.846 526 HD13 ILE 64 HD13 ILE 64 -4.708 -3.294 -0.445 527 H LYS 65 H LYS 65 -3.846 -5.323 -0.853 528 HA LYS 65 HA LYS 65 -1.601 -7.137 -1.414 529 HB2 LYS 65 HB2 LYS 65 -3.169 -7.976 -3.308 530 HB3 LYS 65 HB3 LYS 65 -3.454 -8.538 -1.667 531 HG2 LYS 65 HG2 LYS 65 -4.889 -6.045 -2.593 532 HG3 LYS 65 HG3 LYS 65 -5.458 -7.599 -3.196 533 HD2 LYS 65 HD2 LYS 65 -5.498 -8.374 -0.753 534 HD3 LYS 65 HD3 LYS 65 -5.289 -6.677 -0.317 535 HE2 LYS 65 HE2 LYS 65 -7.519 -7.705 -2.095 536 HE3 LYS 65 HE3 LYS 65 -7.693 -7.409 -0.366 537 HZ1 LYS 65 HZ1 LYS 65 -8.432 -5.494 -1.576 538 HZ2 LYS 65 HZ2 LYS 65 -6.972 -5.413 -2.442 539 HZ3 LYS 65 HZ3 LYS 65 -6.993 -5.100 -0.772 540 H CYS 66 H CYS 66 -0.156 -6.483 -2.779 541 HA CYS 66 HA CYS 66 -0.877 -4.585 -4.906 542 HB2 CYS 66 HB2 CYS 66 1.176 -3.307 -4.498 543 HB3 CYS 66 HB3 CYS 66 0.168 -3.316 -3.054 544 HG CYS 66 HG CYS 66 2.510 -3.976 -2.205 545 H THR 67 H THR 67 1.337 -4.347 -6.346 546 HA THR 67 HA THR 67 1.549 -6.546 -7.925 547 HB THR 67 HB THR 67 3.905 -4.738 -7.314 548 HG1 THR 67 HG1 THR 67 1.716 -4.426 -9.094 549 HG21 THR 67 HG21 THR 67 4.379 -5.166 -9.750 550 HG22 THR 67 HG22 THR 67 3.099 -6.378 -9.733 551 HG23 THR 67 HG23 THR 67 4.534 -6.597 -8.731 552 H GLY 68 H GLY 68 3.596 -5.938 -5.072 553 HA2 GLY 68 HA2 GLY 68 4.411 -7.599 -3.593 554 HA3 GLY 68 HA3 GLY 68 4.052 -8.814 -4.803 555 H ASN 69 H ASN 69 5.554 -6.743 -6.713 556 HA ASN 69 HA ASN 69 8.224 -7.902 -6.211 557 HB2 ASN 69 HB2 ASN 69 7.072 -6.752 -8.760 558 HB3 ASN 69 HB3 ASN 69 8.672 -7.477 -8.587 559 HD21 ASN 69 HD21 ASN 69 8.396 -9.808 -7.332 560 HD22 ASN 69 HD22 ASN 69 7.223 -10.808 -8.043 561 H HIS 70 H HIS 70 6.491 -4.921 -6.238 562 HA HIS 70 HA HIS 70 8.853 -3.257 -6.578 563 HB2 HIS 70 HB2 HIS 70 5.973 -2.554 -5.973 564 HB3 HIS 70 HB3 HIS 70 7.264 -1.371 -6.183 565 HD2 HIS 70 HD2 HIS 70 4.815 -3.342 -8.365 566 HE1 HIS 70 HE1 HIS 70 7.833 -1.952 -10.969 567 HE2 HIS 70 HE2 HIS 70 5.532 -3.022 -10.853 568 H LEU 71 H LEU 71 9.642 -1.813 -5.004 569 HA LEU 71 HA LEU 71 9.772 -2.958 -2.369 570 HB2 LEU 71 HB2 LEU 71 11.014 -0.509 -3.628 571 HB3 LEU 71 HB3 LEU 71 11.232 -0.928 -1.928 572 HG LEU 71 HG LEU 71 11.978 -3.253 -2.779 573 HD11 LEU 71 HD11 LEU 71 13.056 -3.017 -5.124 574 HD12 LEU 71 HD12 LEU 71 11.966 -1.650 -5.338 575 HD13 LEU 71 HD13 LEU 71 11.315 -3.261 -5.045 576 HD21 LEU 71 HD21 LEU 71 14.296 -2.317 -3.371 577 HD22 LEU 71 HD22 LEU 71 13.626 -1.799 -1.825 578 HD23 LEU 71 HD23 LEU 71 13.575 -0.715 -3.215 579 H ILE 72 H ILE 72 8.953 -2.202 -0.475 580 HA ILE 72 HA ILE 72 7.221 0.187 -0.546 581 HB ILE 72 HB ILE 72 5.657 -0.936 1.007 582 HG12 ILE 72 HG12 ILE 72 7.177 -3.508 0.418 583 HG13 ILE 72 HG13 ILE 72 7.455 -2.564 1.880 584 HG21 ILE 72 HG21 ILE 72 5.470 -1.049 -1.558 585 HG22 ILE 72 HG22 ILE 72 4.532 -2.227 -0.643 586 HG23 ILE 72 HG23 ILE 72 6.043 -2.710 -1.412 587 HD11 ILE 72 HD11 ILE 72 5.807 -4.417 2.225 588 HD12 ILE 72 HD12 ILE 72 4.749 -3.655 1.037 589 HD13 ILE 72 HD13 ILE 72 5.123 -2.825 2.547 590 H ARG 73 H ARG 73 7.016 1.301 1.512 591 HA ARG 73 HA ARG 73 9.535 1.435 2.856 592 HB2 ARG 73 HB2 ARG 73 7.886 3.400 2.559 593 HB3 ARG 73 HB3 ARG 73 7.020 2.696 3.917 594 HG2 ARG 73 HG2 ARG 73 8.473 4.228 4.962 595 HG3 ARG 73 HG3 ARG 73 9.325 2.701 5.137 596 HD2 ARG 73 HD2 ARG 73 11.086 3.557 4.071 597 HD3 ARG 73 HD3 ARG 73 10.149 3.839 2.627 598 HE ARG 73 HE ARG 73 9.857 6.092 3.295 599 HH11 ARG 73 HH11 ARG 73 11.514 4.258 5.808 600 HH12 ARG 73 HH12 ARG 73 11.995 5.671 6.685 601 HH21 ARG 73 HH21 ARG 73 10.495 7.898 4.494 602 HH22 ARG 73 HH22 ARG 73 11.421 7.714 5.946 603 H THR 74 H THR 74 10.222 0.709 4.725 604 HA THR 74 HA THR 74 8.373 -0.418 6.658 605 HB THR 74 HB THR 74 9.104 -2.380 5.301 606 HG1 THR 74 HG1 THR 74 8.664 -2.897 7.343 607 HG21 THR 74 HG21 THR 74 11.625 -3.026 5.947 608 HG22 THR 74 HG22 THR 74 11.818 -1.277 5.896 609 HG23 THR 74 HG23 THR 74 11.224 -2.144 4.480 610 H ASP 75 H ASP 75 9.957 -1.193 8.618 611 HA ASP 75 HA ASP 75 10.959 1.153 9.746 612 HB2 ASP 75 HB2 ASP 75 10.306 -0.824 11.055 613 HB3 ASP 75 HB3 ASP 75 11.694 -1.699 10.423 614 H LYS 76 H LYS 76 12.536 -1.314 7.783 615 HA LYS 76 HA LYS 76 15.141 0.017 8.080 616 HB2 LYS 76 HB2 LYS 76 14.242 -2.712 7.309 617 HB3 LYS 76 HB3 LYS 76 15.628 -2.105 6.409 618 HG2 LYS 76 HG2 LYS 76 16.539 -3.241 8.312 619 HG3 LYS 76 HG3 LYS 76 16.678 -1.523 8.672 620 HD2 LYS 76 HD2 LYS 76 15.787 -2.459 10.662 621 HD3 LYS 76 HD3 LYS 76 14.387 -1.763 9.847 622 HE2 LYS 76 HE2 LYS 76 13.783 -3.958 8.938 623 HE3 LYS 76 HE3 LYS 76 15.219 -4.677 9.664 624 HZ1 LYS 76 HZ1 LYS 76 14.366 -4.490 11.766 625 HZ2 LYS 76 HZ2 LYS 76 12.947 -4.791 10.879 626 HZ3 LYS 76 HZ3 LYS 76 13.331 -3.209 11.368 627 H GLY 77 H GLY 77 12.807 1.170 6.493 628 HA2 GLY 77 HA2 GLY 77 12.827 2.620 4.684 629 HA3 GLY 77 HA3 GLY 77 14.376 1.957 4.196 630 H TRP 78 H TRP 78 13.336 2.112 2.034 631 HA TRP 78 HA TRP 78 11.131 0.544 1.232 632 HB2 TRP 78 HB2 TRP 78 13.538 1.372 -0.426 633 HB3 TRP 78 HB3 TRP 78 12.002 0.801 -1.066 634 HD1 TRP 78 HD1 TRP 78 13.758 3.880 -0.209 635 HE1 TRP 78 HE1 TRP 78 12.135 5.875 -0.061 636 HE3 TRP 78 HE3 TRP 78 9.314 1.389 -0.132 637 HZ2 TRP 78 HZ2 TRP 78 9.329 6.351 0.084 638 HZ3 TRP 78 HZ3 TRP 78 7.176 2.638 0.019 639 HH2 TRP 78 HH2 TRP 78 7.185 5.116 0.128 640 H ILE 79 H ILE 79 10.874 -1.569 0.952 641 HA ILE 79 HA ILE 79 13.157 -3.303 0.341 642 HB ILE 79 HB ILE 79 11.213 -3.881 2.598 643 HG12 ILE 79 HG12 ILE 79 12.904 -2.165 3.218 644 HG13 ILE 79 HG13 ILE 79 13.170 -3.657 4.109 645 HG21 ILE 79 HG21 ILE 79 12.706 -5.857 3.026 646 HG22 ILE 79 HG22 ILE 79 13.536 -5.503 1.511 647 HG23 ILE 79 HG23 ILE 79 11.831 -5.949 1.496 648 HD11 ILE 79 HD11 ILE 79 14.731 -3.700 1.639 649 HD12 ILE 79 HD12 ILE 79 15.292 -3.786 3.302 650 HD13 ILE 79 HD13 ILE 79 15.059 -2.219 2.540 651 H LYS 80 H LYS 80 12.678 -5.023 -0.953 652 HA LYS 80 HA LYS 80 10.443 -4.942 -2.635 653 HB2 LYS 80 HB2 LYS 80 12.601 -6.149 -3.100 654 HB3 LYS 80 HB3 LYS 80 12.071 -7.413 -1.991 655 HG2 LYS 80 HG2 LYS 80 10.275 -8.066 -3.386 656 HG3 LYS 80 HG3 LYS 80 10.312 -6.556 -4.296 657 HD2 LYS 80 HD2 LYS 80 11.316 -8.114 -5.763 658 HD3 LYS 80 HD3 LYS 80 12.690 -7.282 -5.038 659 HE2 LYS 80 HE2 LYS 80 11.652 -9.791 -3.722 660 HE3 LYS 80 HE3 LYS 80 12.656 -9.919 -5.164 661 HZ1 LYS 80 HZ1 LYS 80 14.191 -8.301 -3.936 662 HZ2 LYS 80 HZ2 LYS 80 14.179 -9.930 -3.454 663 HZ3 LYS 80 HZ3 LYS 80 13.347 -8.765 -2.541 664 H ALA 81 H ALA 81 8.404 -5.697 -2.528 665 HA ALA 81 HA ALA 81 7.212 -6.362 -0.090 666 HB1 ALA 81 HB1 ALA 81 5.734 -5.503 -1.653 667 HB2 ALA 81 HB2 ALA 81 5.315 -7.217 -1.666 668 HB3 ALA 81 HB3 ALA 81 6.328 -6.547 -2.945 669 H ALA 82 H ALA 82 8.307 -8.447 -2.729 670 HA ALA 82 HA ALA 82 7.334 -10.899 -1.731 671 HB1 ALA 82 HB1 ALA 82 8.560 -10.176 -4.024 672 HB2 ALA 82 HB2 ALA 82 8.436 -11.849 -3.484 673 HB3 ALA 82 HB3 ALA 82 9.918 -10.936 -3.193 674 H ASN 83 H ASN 83 10.276 -9.075 -1.079 675 HA ASN 83 HA ASN 83 11.606 -11.107 0.428 676 HB2 ASN 83 HB2 ASN 83 12.661 -9.092 -0.735 677 HB3 ASN 83 HB3 ASN 83 12.122 -8.152 0.660 678 HD21 ASN 83 HD21 ASN 83 14.208 -7.775 1.593 679 HD22 ASN 83 HD22 ASN 83 15.184 -9.028 2.191 680 H ILE 84 H ILE 84 9.236 -8.648 1.251 681 HA ILE 84 HA ILE 84 9.712 -8.263 3.954 682 HB ILE 84 HB ILE 84 6.993 -8.494 2.627 683 HG12 ILE 84 HG12 ILE 84 8.435 -6.835 1.503 684 HG13 ILE 84 HG13 ILE 84 7.136 -6.028 2.358 685 HG21 ILE 84 HG21 ILE 84 6.215 -6.997 4.461 686 HG22 ILE 84 HG22 ILE 84 7.800 -7.134 5.220 687 HG23 ILE 84 HG23 ILE 84 6.774 -8.559 5.063 688 HD11 ILE 84 HD11 ILE 84 8.743 -5.570 4.251 689 HD12 ILE 84 HD12 ILE 84 9.226 -4.799 2.741 690 HD13 ILE 84 HD13 ILE 84 10.033 -6.272 3.273 691 H THR 85 H THR 85 9.528 -9.368 5.744 692 HA THR 85 HA THR 85 8.319 -12.068 5.706 693 HB THR 85 HB THR 85 10.778 -12.192 5.883 694 HG1 THR 85 HG1 THR 85 9.652 -12.631 8.434 695 HG21 THR 85 HG21 THR 85 10.351 -10.137 8.037 696 HG22 THR 85 HG22 THR 85 11.569 -10.195 6.761 697 HG23 THR 85 HG23 THR 85 11.710 -11.254 8.161 698 HA PRO 86 HA PRO 86 5.411 -10.902 8.876 699 HB2 PRO 86 HB2 PRO 86 6.719 -12.972 10.611 700 HB3 PRO 86 HB3 PRO 86 4.990 -12.657 10.345 701 HG2 PRO 86 HG2 PRO 86 6.172 -14.666 9.129 702 HG3 PRO 86 HG3 PRO 86 4.989 -13.669 8.269 703 HD2 PRO 86 HD2 PRO 86 7.935 -13.773 7.942 704 HD3 PRO 86 HD3 PRO 86 6.672 -13.340 6.760 705 H LYS 87 H LYS 87 8.787 -11.309 9.758 706 HA LYS 87 HA LYS 87 8.855 -9.988 12.252 707 HB2 LYS 87 HB2 LYS 87 10.707 -11.387 11.411 708 HB3 LYS 87 HB3 LYS 87 11.028 -10.206 10.143 709 HG2 LYS 87 HG2 LYS 87 11.537 -8.497 11.862 710 HG3 LYS 87 HG3 LYS 87 11.216 -9.680 13.131 711 HD2 LYS 87 HD2 LYS 87 13.053 -11.078 12.358 712 HD3 LYS 87 HD3 LYS 87 13.333 -10.006 10.987 713 HE2 LYS 87 HE2 LYS 87 14.947 -9.502 12.749 714 HE3 LYS 87 HE3 LYS 87 13.824 -8.154 12.565 715 HZ1 LYS 87 HZ1 LYS 87 13.133 -10.252 14.484 716 HZ2 LYS 87 HZ2 LYS 87 12.829 -8.581 14.544 717 HZ3 LYS 87 HZ3 LYS 87 14.375 -9.181 14.913 718 H MET 88 H MET 88 9.188 -8.765 8.939 719 HA MET 88 HA MET 88 10.077 -6.208 9.386 720 HB2 MET 88 HB2 MET 88 8.656 -7.565 7.210 721 HB3 MET 88 HB3 MET 88 8.196 -5.873 7.305 722 HG2 MET 88 HG2 MET 88 10.096 -5.995 5.831 723 HG3 MET 88 HG3 MET 88 10.681 -5.311 7.343 724 HE1 MET 88 HE1 MET 88 13.172 -7.854 5.371 725 HE2 MET 88 HE2 MET 88 13.293 -6.272 6.135 726 HE3 MET 88 HE3 MET 88 12.047 -6.560 4.926 727 H LYS 89 H LYS 89 9.284 -4.273 9.910 728 HA LYS 89 HA LYS 89 6.471 -4.074 10.788 729 HB2 LYS 89 HB2 LYS 89 8.934 -2.858 12.062 730 HB3 LYS 89 HB3 LYS 89 7.279 -2.463 12.520 731 HG2 LYS 89 HG2 LYS 89 6.858 -4.762 13.191 732 HG3 LYS 89 HG3 LYS 89 8.435 -5.268 12.593 733 HD2 LYS 89 HD2 LYS 89 8.657 -5.026 14.982 734 HD3 LYS 89 HD3 LYS 89 9.479 -3.648 14.255 735 HE2 LYS 89 HE2 LYS 89 7.518 -2.225 14.672 736 HE3 LYS 89 HE3 LYS 89 6.638 -3.597 15.334 737 HZ1 LYS 89 HZ1 LYS 89 9.254 -2.878 16.463 738 HZ2 LYS 89 HZ2 LYS 89 7.935 -3.653 17.204 739 HZ3 LYS 89 HZ3 LYS 89 7.884 -1.981 16.906 740 H ILE 90 H ILE 90 5.374 -2.270 10.056 741 HA ILE 90 HA ILE 90 6.956 -0.304 8.482 742 HB ILE 90 HB ILE 90 4.171 -1.288 7.756 743 HG12 ILE 90 HG12 ILE 90 5.604 -2.196 5.697 744 HG13 ILE 90 HG13 ILE 90 6.940 -2.132 6.842 745 HG21 ILE 90 HG21 ILE 90 4.873 -0.115 5.544 746 HG22 ILE 90 HG22 ILE 90 6.099 0.686 6.528 747 HG23 ILE 90 HG23 ILE 90 4.391 0.901 6.903 748 HD11 ILE 90 HD11 ILE 90 6.027 -3.801 8.195 749 HD12 ILE 90 HD12 ILE 90 5.505 -4.327 6.599 750 HD13 ILE 90 HD13 ILE 90 4.375 -3.488 7.657 751 H LEU 91 H LEU 91 6.731 1.753 9.000 752 HA LEU 91 HA LEU 91 5.024 2.608 11.130 753 HB2 LEU 91 HB2 LEU 91 5.728 4.913 10.478 754 HB3 LEU 91 HB3 LEU 91 7.064 3.836 10.839 755 HG LEU 91 HG LEU 91 6.267 3.835 7.943 756 HD11 LEU 91 HD11 LEU 91 7.435 5.994 7.476 757 HD12 LEU 91 HD12 LEU 91 7.418 6.333 9.207 758 HD13 LEU 91 HD13 LEU 91 5.899 6.192 8.321 759 HD21 LEU 91 HD21 LEU 91 8.996 4.426 9.123 760 HD22 LEU 91 HD22 LEU 91 8.610 3.665 7.581 761 HD23 LEU 91 HD23 LEU 91 8.358 2.783 9.084 762 H SER 92 H SER 92 2.962 3.174 11.079 763 HA SER 92 HA SER 92 1.712 3.713 8.463 764 HB2 SER 92 HB2 SER 92 0.502 2.460 10.949 765 HB3 SER 92 HB3 SER 92 -0.392 2.864 9.485 766 HG SER 92 HG SER 92 0.408 1.140 8.591 767 HA PRO 93 HA PRO 93 0.817 7.817 10.210 768 HB2 PRO 93 HB2 PRO 93 -0.919 8.755 8.368 769 HB3 PRO 93 HB3 PRO 93 0.815 8.579 8.023 770 HG2 PRO 93 HG2 PRO 93 -1.438 6.749 7.313 771 HG3 PRO 93 HG3 PRO 93 -0.102 7.324 6.295 772 HD2 PRO 93 HD2 PRO 93 -0.047 4.879 7.440 773 HD3 PRO 93 HD3 PRO 93 1.435 5.845 7.227 774 H GLU 94 H GLU 94 -0.841 8.854 11.398 775 HA GLU 94 HA GLU 94 -3.401 7.390 11.637 776 HB2 GLU 94 HB2 GLU 94 -1.819 8.683 13.874 777 HB3 GLU 94 HB3 GLU 94 -3.416 7.951 14.042 778 HG2 GLU 94 HG2 GLU 94 -2.435 5.782 13.204 779 HG3 GLU 94 HG3 GLU 94 -0.853 6.546 13.231 780 H ILE 95 H ILE 95 -5.107 8.582 11.190 781 HA ILE 95 HA ILE 95 -4.823 11.477 10.942 782 HB ILE 95 HB ILE 95 -7.146 9.684 10.162 783 HG12 ILE 95 HG12 ILE 95 -5.124 9.138 8.832 784 HG13 ILE 95 HG13 ILE 95 -6.312 9.945 7.820 785 HG21 ILE 95 HG21 ILE 95 -7.783 11.667 8.719 786 HG22 ILE 95 HG22 ILE 95 -6.587 12.609 9.607 787 HG23 ILE 95 HG23 ILE 95 -7.969 11.916 10.455 788 HD11 ILE 95 HD11 ILE 95 -4.869 12.117 8.641 789 HD12 ILE 95 HD12 ILE 95 -4.473 11.198 7.191 790 HD13 ILE 95 HD13 ILE 95 -3.613 10.878 8.696 791 H ASP 96 H ASP 96 -5.335 12.750 12.532 792 HA ASP 96 HA ASP 96 -7.750 12.562 14.027 793 HB2 ASP 96 HB2 ASP 96 -6.677 12.240 16.273 794 HB3 ASP 96 HB3 ASP 96 -6.517 10.828 15.239 795 H ALA 97 H ALA 97 -6.641 14.151 16.312 796 HA ALA 97 HA ALA 97 -6.813 16.737 15.224 797 HB1 ALA 97 HB1 ALA 97 -7.276 16.529 17.538 798 HB2 ALA 97 HB2 ALA 97 -5.754 17.417 17.462 799 HB3 ALA 97 HB3 ALA 97 -5.752 15.697 17.849 800 H ALA 98 H ALA 98 -4.032 14.671 15.968 801 HA ALA 98 HA ALA 98 -2.354 16.402 14.291 802 HB1 ALA 98 HB1 ALA 98 -1.297 15.178 16.836 803 HB2 ALA 98 HB2 ALA 98 -1.953 16.813 16.786 804 HB3 ALA 98 HB3 ALA 98 -0.540 16.401 15.816 805 H VAL 99 H VAL 99 -1.309 15.259 12.776 806 HA VAL 99 HA VAL 99 -1.719 12.530 12.360 807 HB VAL 99 HB VAL 99 -1.045 14.112 10.585 808 HG11 VAL 99 HG11 VAL 99 0.646 15.338 11.993 809 HG12 VAL 99 HG12 VAL 99 1.218 14.922 10.378 810 HG13 VAL 99 HG13 VAL 99 1.741 13.972 11.769 811 HG21 VAL 99 HG21 VAL 99 0.324 12.588 9.345 812 HG22 VAL 99 HG22 VAL 99 -0.626 11.586 10.441 813 HG23 VAL 99 HG23 VAL 99 1.061 11.943 10.813 814 H LYS 100 H LYS 100 -0.750 10.698 13.043 815 HA LYS 100 HA LYS 100 1.803 10.909 14.531 816 HB2 LYS 100 HB2 LYS 100 -0.178 10.851 16.097 817 HB3 LYS 100 HB3 LYS 100 -0.508 9.228 15.500 818 HG2 LYS 100 HG2 LYS 100 1.651 8.423 16.247 819 HG3 LYS 100 HG3 LYS 100 2.169 10.052 16.670 820 HD2 LYS 100 HD2 LYS 100 1.545 9.000 18.731 821 HD3 LYS 100 HD3 LYS 100 0.230 10.105 18.333 822 HE2 LYS 100 HE2 LYS 100 -1.096 8.272 17.429 823 HE3 LYS 100 HE3 LYS 100 0.232 7.139 17.681 824 HZ1 LYS 100 HZ1 LYS 100 -1.124 8.677 19.831 825 HZ2 LYS 100 HZ2 LYS 100 0.084 7.501 20.037 826 HZ3 LYS 100 HZ3 LYS 100 -1.448 7.057 19.449 827 H THR 101 H THR 101 3.218 9.282 14.250 828 HA THR 101 HA THR 101 2.487 7.193 12.313 829 HB THR 101 HB THR 101 4.416 8.570 11.687 830 HG1 THR 101 HG1 THR 101 5.074 6.764 10.900 831 HG21 THR 101 HG21 THR 101 5.620 7.603 14.299 832 HG22 THR 101 HG22 THR 101 5.174 9.263 13.908 833 HG23 THR 101 HG23 THR 101 6.498 8.480 13.046 834 H ALA 102 H ALA 102 2.544 5.069 12.780 835 HA ALA 102 HA ALA 102 3.789 4.115 15.250 836 HB1 ALA 102 HB1 ALA 102 0.878 3.553 14.658 837 HB2 ALA 102 HB2 ALA 102 1.438 4.729 15.847 838 HB3 ALA 102 HB3 ALA 102 1.798 3.016 16.063 839 H LEU 103 H LEU 103 4.773 2.234 14.915 840 HA LEU 103 HA LEU 103 4.685 0.972 12.347 841 HB2 LEU 103 HB2 LEU 103 6.124 0.390 14.926 842 HB3 LEU 103 HB3 LEU 103 6.152 -0.767 13.600 843 HG LEU 103 HG LEU 103 6.893 1.198 12.109 844 HD11 LEU 103 HD11 LEU 103 7.253 2.390 14.868 845 HD12 LEU 103 HD12 LEU 103 6.367 3.072 13.503 846 HD13 LEU 103 HD13 LEU 103 8.129 2.979 13.454 847 HD21 LEU 103 HD21 LEU 103 8.686 0.206 14.354 848 HD22 LEU 103 HD22 LEU 103 9.265 0.996 12.887 849 HD23 LEU 103 HD23 LEU 103 8.450 -0.564 12.784 850 H GLN 104 H GLN 104 4.000 -1.035 11.757 851 HA GLN 104 HA GLN 104 2.182 -2.428 13.617 852 HB2 GLN 104 HB2 GLN 104 0.734 -3.012 11.724 853 HB3 GLN 104 HB3 GLN 104 0.896 -1.262 11.812 854 HG2 GLN 104 HG2 GLN 104 2.790 -1.501 10.088 855 HG3 GLN 104 HG3 GLN 104 2.244 -3.158 9.870 856 HE21 GLN 104 HE21 GLN 104 2.119 -0.799 7.950 857 HE22 GLN 104 HE22 GLN 104 0.482 -0.681 7.511 858 H ASP 105 H ASP 105 2.151 -4.745 13.393 859 HA ASP 105 HA ASP 105 4.727 -5.763 12.418 860 HB2 ASP 105 HB2 ASP 105 2.692 -7.006 14.271 861 HB3 ASP 105 HB3 ASP 105 4.237 -7.727 13.828 862 H VAL 106 H VAL 106 4.897 -7.161 10.773 863 HA VAL 106 HA VAL 106 2.536 -7.712 9.193 864 HB VAL 106 HB VAL 106 5.416 -8.651 8.828 865 HG11 VAL 106 HG11 VAL 106 3.564 -9.974 7.635 866 HG12 VAL 106 HG12 VAL 106 4.817 -9.288 6.604 867 HG13 VAL 106 HG13 VAL 106 3.243 -8.501 6.715 868 HG21 VAL 106 HG21 VAL 106 5.705 -6.791 7.347 869 HG22 VAL 106 HG22 VAL 106 4.930 -6.122 8.784 870 HG23 VAL 106 HG23 VAL 106 3.977 -6.432 7.335 871 H GLU 107 H GLU 107 1.197 -9.370 9.615 872 HA GLU 107 HA GLU 107 1.895 -11.536 11.367 873 HB2 GLU 107 HB2 GLU 107 -0.447 -10.716 11.119 874 HB3 GLU 107 HB3 GLU 107 -0.453 -11.276 9.446 875 HG2 GLU 107 HG2 GLU 107 -1.537 -12.950 10.873 876 HG3 GLU 107 HG3 GLU 107 -0.025 -13.599 10.243 877 H SER 108 H SER 108 1.487 -11.122 7.877 878 HA SER 108 HA SER 108 3.568 -12.783 7.085 879 HB2 SER 108 HB2 SER 108 0.935 -14.187 7.358 880 HB3 SER 108 HB3 SER 108 1.980 -14.590 6.002 881 HG SER 108 HG SER 108 2.197 -15.223 8.632 882 H ILE 109 H ILE 109 3.107 -13.540 4.655 883 HA ILE 109 HA ILE 109 1.612 -11.393 3.259 884 HB ILE 109 HB ILE 109 4.140 -11.067 3.223 885 HG12 ILE 109 HG12 ILE 109 2.801 -11.572 0.532 886 HG13 ILE 109 HG13 ILE 109 2.563 -10.148 1.519 887 HG21 ILE 109 HG21 ILE 109 5.553 -12.536 1.931 888 HG22 ILE 109 HG22 ILE 109 4.169 -13.468 1.359 889 HG23 ILE 109 HG23 ILE 109 4.654 -13.564 3.052 890 HD11 ILE 109 HD11 ILE 109 5.198 -11.023 0.285 891 HD12 ILE 109 HD12 ILE 109 5.041 -9.688 1.410 892 HD13 ILE 109 HD13 ILE 109 4.244 -9.608 -0.164 893 H GLU 110 H GLU 110 0.220 -12.153 1.695 894 HA GLU 110 HA GLU 110 0.312 -15.088 1.168 895 HB2 GLU 110 HB2 GLU 110 -2.095 -13.258 1.200 896 HB3 GLU 110 HB3 GLU 110 -2.126 -14.983 0.837 897 HG2 GLU 110 HG2 GLU 110 -1.185 -15.462 3.081 898 HG3 GLU 110 HG3 GLU 110 -1.205 -13.737 3.444 899 H LYS 111 H LYS 111 -0.327 -15.915 -0.866 900 HA LYS 111 HA LYS 111 0.349 -14.112 -3.082 901 HB2 LYS 111 HB2 LYS 111 0.021 -17.119 -2.981 902 HB3 LYS 111 HB3 LYS 111 0.438 -16.206 -4.431 903 HG2 LYS 111 HG2 LYS 111 2.454 -15.332 -3.295 904 HG3 LYS 111 HG3 LYS 111 2.048 -16.278 -1.862 905 HD2 LYS 111 HD2 LYS 111 2.180 -18.356 -3.199 906 HD3 LYS 111 HD3 LYS 111 2.610 -17.399 -4.620 907 HE2 LYS 111 HE2 LYS 111 4.627 -16.582 -3.477 908 HE3 LYS 111 HE3 LYS 111 4.204 -17.519 -2.045 909 HZ1 LYS 111 HZ1 LYS 111 4.608 -19.504 -3.117 910 HZ2 LYS 111 HZ2 LYS 111 5.832 -18.509 -3.750 911 HZ3 LYS 111 HZ3 LYS 111 4.439 -18.838 -4.667 912 H LEU 112 H LEU 112 -1.296 -13.038 -3.963 913 HA LEU 112 HA LEU 112 -3.980 -14.233 -3.969 914 HB2 LEU 112 HB2 LEU 112 -2.948 -11.424 -4.240 915 HB3 LEU 112 HB3 LEU 112 -4.534 -11.817 -4.892 916 HG LEU 112 HG LEU 112 -4.704 -10.918 -2.595 917 HD11 LEU 112 HD11 LEU 112 -5.349 -13.856 -2.388 918 HD12 LEU 112 HD12 LEU 112 -6.247 -12.783 -3.462 919 HD13 LEU 112 HD13 LEU 112 -6.234 -12.480 -1.725 920 HD21 LEU 112 HD21 LEU 112 -3.073 -13.347 -1.761 921 HD22 LEU 112 HD22 LEU 112 -3.786 -12.160 -0.671 922 HD23 LEU 112 HD23 LEU 112 -2.490 -11.681 -1.772 923 H GLY 113 H GLY 113 -1.371 -13.465 -6.105 924 HA2 GLY 113 HA2 GLY 113 -1.023 -14.118 -8.282 925 HA3 GLY 113 HA3 GLY 113 -2.591 -14.888 -8.251 926 H VAL 114 H VAL 114 -2.958 -14.155 -10.365 927 HA VAL 114 HA VAL 114 -2.946 -11.410 -11.102 928 HB VAL 114 HB VAL 114 -4.303 -13.793 -12.414 929 HG11 VAL 114 HG11 VAL 114 -4.450 -12.469 -14.417 930 HG12 VAL 114 HG12 VAL 114 -3.559 -11.138 -13.675 931 HG13 VAL 114 HG13 VAL 114 -5.187 -11.527 -13.122 932 HG21 VAL 114 HG21 VAL 114 -1.607 -12.468 -12.869 933 HG22 VAL 114 HG22 VAL 114 -2.300 -13.700 -13.924 934 HG23 VAL 114 HG23 VAL 114 -1.888 -14.098 -12.257 935 H ASN 115 H ASN 115 -4.357 -9.897 -10.696 936 HA ASN 115 HA ASN 115 -7.220 -10.441 -10.404 937 HB2 ASN 115 HB2 ASN 115 -5.523 -9.018 -8.332 938 HB3 ASN 115 HB3 ASN 115 -7.270 -8.856 -8.424 939 HD21 ASN 115 HD21 ASN 115 -5.916 -9.952 -6.143 940 HD22 ASN 115 HD22 ASN 115 -6.370 -11.586 -6.000 941 H HIS 116 H HIS 116 -8.346 -8.163 -10.148 942 HA HIS 116 HA HIS 116 -7.420 -6.448 -12.300 943 HB2 HIS 116 HB2 HIS 116 -9.668 -6.081 -10.284 944 HB3 HIS 116 HB3 HIS 116 -9.369 -5.032 -11.668 945 HD2 HIS 116 HD2 HIS 116 -11.287 -8.246 -10.881 946 HE1 HIS 116 HE1 HIS 116 -10.938 -8.105 -15.084 947 HE2 HIS 116 HE2 HIS 116 -12.091 -9.269 -13.142 948 H VAL 117 H VAL 117 -6.049 -4.774 -12.055 949 HA VAL 117 HA VAL 117 -5.498 -3.802 -9.311 950 HB VAL 117 HB VAL 117 -3.495 -4.613 -11.439 951 HG11 VAL 117 HG11 VAL 117 -2.720 -2.608 -10.176 952 HG12 VAL 117 HG12 VAL 117 -1.761 -4.057 -9.842 953 HG13 VAL 117 HG13 VAL 117 -2.958 -3.505 -8.669 954 HG21 VAL 117 HG21 VAL 117 -4.492 -6.483 -10.190 955 HG22 VAL 117 HG22 VAL 117 -4.113 -5.686 -8.667 956 HG23 VAL 117 HG23 VAL 117 -2.812 -6.263 -9.704 957 H TYR 118 H TYR 118 -5.327 -1.668 -9.017 958 HA TYR 118 HA TYR 118 -4.955 0.150 -11.295 959 HB2 TYR 118 HB2 TYR 118 -7.173 0.587 -9.243 960 HB3 TYR 118 HB3 TYR 118 -6.844 1.507 -10.704 961 HD1 TYR 118 HD1 TYR 118 -8.078 -1.729 -9.410 962 HD2 TYR 118 HD2 TYR 118 -7.576 0.723 -12.881 963 HE1 TYR 118 HE1 TYR 118 -9.563 -3.248 -10.668 964 HE2 TYR 118 HE2 TYR 118 -9.065 -0.793 -14.171 965 HH TYR 118 HH TYR 118 -11.036 -2.479 -13.447 966 H ASP 119 H ASP 119 -4.274 2.320 -10.607 967 HA ASP 119 HA ASP 119 -3.726 2.906 -7.855 968 HB2 ASP 119 HB2 ASP 119 -1.887 1.246 -8.588 969 HB3 ASP 119 HB3 ASP 119 -1.240 2.603 -9.516 970 H ILE 120 H ILE 120 -2.309 4.982 -7.664 971 HA ILE 120 HA ILE 120 -2.726 6.710 -10.024 972 HB ILE 120 HB ILE 120 -3.787 8.449 -8.882 973 HG12 ILE 120 HG12 ILE 120 -2.338 8.788 -6.933 974 HG13 ILE 120 HG13 ILE 120 -3.990 8.631 -6.362 975 HG21 ILE 120 HG21 ILE 120 -5.060 6.122 -8.898 976 HG22 ILE 120 HG22 ILE 120 -5.787 7.569 -8.208 977 HG23 ILE 120 HG23 ILE 120 -5.052 6.363 -7.155 978 HD11 ILE 120 HD11 ILE 120 -1.802 6.533 -6.228 979 HD12 ILE 120 HD12 ILE 120 -3.502 6.144 -5.968 980 HD13 ILE 120 HD13 ILE 120 -2.681 7.267 -4.886 981 H GLU 121 H GLU 121 -1.611 8.902 -9.717 982 HA GLU 121 HA GLU 121 1.125 8.438 -8.689 983 HB2 GLU 121 HB2 GLU 121 0.159 10.001 -11.088 984 HB3 GLU 121 HB3 GLU 121 1.816 10.053 -10.488 985 HG2 GLU 121 HG2 GLU 121 2.044 7.641 -10.821 986 HG3 GLU 121 HG3 GLU 121 0.366 7.525 -11.330 987 H VAL 122 H VAL 122 2.251 10.332 -7.798 988 HA VAL 122 HA VAL 122 0.427 12.532 -7.022 989 HB VAL 122 HB VAL 122 1.554 12.690 -4.838 990 HG11 VAL 122 HG11 VAL 122 0.422 9.950 -5.474 991 HG12 VAL 122 HG12 VAL 122 -0.515 11.384 -5.054 992 HG13 VAL 122 HG13 VAL 122 0.557 10.650 -3.862 993 HG21 VAL 122 HG21 VAL 122 3.698 11.615 -5.601 994 HG22 VAL 122 HG22 VAL 122 2.861 10.061 -5.597 995 HG23 VAL 122 HG23 VAL 122 3.064 10.959 -4.092 996 H GLU 123 H GLU 123 1.343 14.572 -6.610 997 HA GLU 123 HA GLU 123 3.073 15.377 -8.658 998 HB2 GLU 123 HB2 GLU 123 2.028 16.871 -6.271 999 HB3 GLU 123 HB3 GLU 123 3.002 17.630 -7.529 1000 HG2 GLU 123 HG2 GLU 123 1.363 16.900 -9.228 1001 HG3 GLU 123 HG3 GLU 123 0.376 16.175 -7.964 1002 H HIS 124 H HIS 124 3.926 15.058 -5.152 1003 HA HIS 124 HA HIS 124 6.548 16.243 -5.812 1004 HB2 HIS 124 HB2 HIS 124 5.055 15.845 -3.248 1005 HB3 HIS 124 HB3 HIS 124 6.759 16.294 -3.270 1006 HD2 HIS 124 HD2 HIS 124 7.218 19.008 -3.867 1007 HE1 HIS 124 HE1 HIS 124 3.235 20.031 -4.823 1008 HE2 HIS 124 HE2 HIS 124 5.574 20.949 -4.454 1009 H ASN 125 H ASN 125 5.680 13.602 -3.519 1010 HA ASN 125 HA ASN 125 8.419 12.617 -3.826 1011 HB2 ASN 125 HB2 ASN 125 7.335 12.925 -1.562 1012 HB3 ASN 125 HB3 ASN 125 6.324 11.528 -1.947 1013 HD21 ASN 125 HD21 ASN 125 9.534 12.535 -0.977 1014 HD22 ASN 125 HD22 ASN 125 10.190 10.975 -0.840 1015 H HIS 126 H HIS 126 5.596 11.993 -5.416 1016 HA HIS 126 HA HIS 126 4.826 10.239 -6.719 1017 HB2 HIS 126 HB2 HIS 126 7.773 9.505 -6.687 1018 HB3 HIS 126 HB3 HIS 126 6.579 8.874 -7.820 1019 HD2 HIS 126 HD2 HIS 126 8.966 11.841 -7.565 1020 HE1 HIS 126 HE1 HIS 126 6.083 12.944 -10.444 1021 HE2 HIS 126 HE2 HIS 126 8.330 13.553 -9.429 1022 H ASN 127 H ASN 127 4.647 9.899 -3.890 1023 HA ASN 127 HA ASN 127 4.684 6.959 -3.687 1024 HB2 ASN 127 HB2 ASN 127 6.402 8.628 -2.269 1025 HB3 ASN 127 HB3 ASN 127 5.106 8.349 -1.122 1026 HD21 ASN 127 HD21 ASN 127 4.484 5.942 -0.865 1027 HD22 ASN 127 HD22 ASN 127 5.751 4.814 -0.921 1028 H PHE 128 H PHE 128 3.102 6.084 -2.172 1029 HA PHE 128 HA PHE 128 1.060 7.903 -1.167 1030 HB2 PHE 128 HB2 PHE 128 -0.801 6.836 -2.328 1031 HB3 PHE 128 HB3 PHE 128 0.346 7.458 -3.509 1032 HD1 PHE 128 HD1 PHE 128 -1.088 4.448 -1.982 1033 HD2 PHE 128 HD2 PHE 128 1.788 5.914 -4.811 1034 HE1 PHE 128 HE1 PHE 128 -0.860 2.173 -2.922 1035 HE2 PHE 128 HE2 PHE 128 2.016 3.628 -5.756 1036 HZ PHE 128 HZ PHE 128 0.692 1.760 -4.812 1037 H VAL 129 H VAL 129 -0.544 6.799 0.205 1038 HA VAL 129 HA VAL 129 0.598 4.376 1.471 1039 HB VAL 129 HB VAL 129 -1.245 6.481 2.669 1040 HG11 VAL 129 HG11 VAL 129 -1.559 4.212 3.636 1041 HG12 VAL 129 HG12 VAL 129 -0.857 5.331 4.804 1042 HG13 VAL 129 HG13 VAL 129 0.166 4.141 3.999 1043 HG21 VAL 129 HG21 VAL 129 0.706 7.175 3.978 1044 HG22 VAL 129 HG22 VAL 129 1.109 7.252 2.262 1045 HG23 VAL 129 HG23 VAL 129 1.685 5.905 3.244 1046 H ALA 130 H ALA 130 -0.472 2.534 1.069 1047 HA ALA 130 HA ALA 130 -3.324 2.700 0.327 1048 HB1 ALA 130 HB1 ALA 130 -1.174 0.704 -0.333 1049 HB2 ALA 130 HB2 ALA 130 -2.162 1.667 -1.434 1050 HB3 ALA 130 HB3 ALA 130 -2.887 0.335 -0.534 1051 H ASN 131 H ASN 131 -4.720 2.165 1.819 1052 HA ASN 131 HA ASN 131 -5.664 1.287 3.704 1053 HB2 ASN 131 HB2 ASN 131 -5.422 -0.689 2.134 1054 HB3 ASN 131 HB3 ASN 131 -4.010 -1.156 3.076 1055 HD21 ASN 131 HD21 ASN 131 -6.521 -2.682 2.864 1056 HD22 ASN 131 HD22 ASN 131 -7.160 -2.785 4.432 1057 H GLY 132 H GLY 132 -3.386 2.875 4.240 1058 HA2 GLY 132 HA2 GLY 132 -2.282 3.484 6.188 1059 HA3 GLY 132 HA3 GLY 132 -2.715 1.932 6.889 1060 H LEU 133 H LEU 133 -1.335 1.252 3.928 1061 HA LEU 133 HA LEU 133 1.338 0.881 5.137 1062 HB2 LEU 133 HB2 LEU 133 0.120 -1.206 4.594 1063 HB3 LEU 133 HB3 LEU 133 0.051 -0.736 2.904 1064 HG LEU 133 HG LEU 133 2.771 -0.683 4.190 1065 HD11 LEU 133 HD11 LEU 133 1.541 -3.304 3.298 1066 HD12 LEU 133 HD12 LEU 133 1.686 -2.827 4.990 1067 HD13 LEU 133 HD13 LEU 133 3.135 -3.055 4.012 1068 HD21 LEU 133 HD21 LEU 133 3.346 -1.702 1.924 1069 HD22 LEU 133 HD22 LEU 133 2.650 -0.083 1.871 1070 HD23 LEU 133 HD23 LEU 133 1.650 -1.484 1.491 1071 H LEU 134 H LEU 134 2.882 2.139 4.377 1072 HA LEU 134 HA LEU 134 2.514 3.823 2.105 1073 HB2 LEU 134 HB2 LEU 134 3.805 4.593 4.018 1074 HB3 LEU 134 HB3 LEU 134 4.961 3.282 3.811 1075 HG LEU 134 HG LEU 134 5.629 4.234 1.601 1076 HD11 LEU 134 HD11 LEU 134 3.526 6.301 2.301 1077 HD12 LEU 134 HD12 LEU 134 3.698 5.368 0.813 1078 HD13 LEU 134 HD13 LEU 134 4.837 6.662 1.171 1079 HD21 LEU 134 HD21 LEU 134 6.919 6.052 2.492 1080 HD22 LEU 134 HD22 LEU 134 6.662 4.948 3.845 1081 HD23 LEU 134 HD23 LEU 134 5.693 6.394 3.706 1082 H VAL 135 H VAL 135 2.758 3.350 0.061 1083 HA VAL 135 HA VAL 135 4.676 1.240 -0.740 1084 HB VAL 135 HB VAL 135 1.980 1.896 -1.989 1085 HG11 VAL 135 HG11 VAL 135 3.801 1.124 -3.585 1086 HG12 VAL 135 HG12 VAL 135 2.363 0.108 -3.522 1087 HG13 VAL 135 HG13 VAL 135 3.830 -0.393 -2.683 1088 HG21 VAL 135 HG21 VAL 135 2.937 -0.504 -0.397 1089 HG22 VAL 135 HG22 VAL 135 1.393 -0.416 -1.245 1090 HG23 VAL 135 HG23 VAL 135 1.719 0.670 0.107 1091 H HIS 136 H HIS 136 6.156 1.808 -2.186 1092 HA HIS 136 HA HIS 136 6.411 4.493 -3.163 1093 HB2 HIS 136 HB2 HIS 136 8.355 2.999 -2.566 1094 HB3 HIS 136 HB3 HIS 136 8.000 2.054 -4.004 1095 HD2 HIS 136 HD2 HIS 136 9.746 5.374 -3.015 1096 HE1 HIS 136 HE1 HIS 136 9.694 5.231 -7.234 1097 HE2 HIS 136 HE2 HIS 136 10.628 6.461 -5.219 1098 H ASN 137 H ASN 137 6.113 5.303 -5.209 1099 HA ASN 137 HA ASN 137 4.866 3.497 -7.197 1100 HB2 ASN 137 HB2 ASN 137 3.213 5.070 -6.251 1101 HB3 ASN 137 HB3 ASN 137 4.223 6.422 -6.744 1102 HD21 ASN 137 HD21 ASN 137 1.880 4.093 -7.857 1103 HD22 ASN 137 HD22 ASN 137 1.847 4.604 -9.475 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 3.895 0.150 -6.026 2 H2 GLU 1 HT2 GLU 1 2.703 -1.060 -6.013 3 H3 GLU 1 HT3 GLU 1 2.255 0.579 -6.053 4 HA GLU 1 HA GLU 1 3.345 0.788 -8.242 5 HB2 GLU 1 HB2 GLU 1 4.871 -1.157 -7.919 6 HB3 GLU 1 HB3 GLU 1 3.484 -2.241 -7.997 7 HG2 GLU 1 HG2 GLU 1 4.579 -2.160 -10.188 8 HG3 GLU 1 HG3 GLU 1 2.991 -1.411 -10.296 9 H ALA 2 H ALA 2 1.362 -2.017 -7.253 10 HA ALA 2 HA ALA 2 -0.945 -0.859 -8.653 11 HB1 ALA 2 HB1 ALA 2 0.398 -2.654 -10.028 12 HB2 ALA 2 HB2 ALA 2 -1.365 -2.695 -9.996 13 HB3 ALA 2 HB3 ALA 2 -0.438 -3.790 -8.969 14 H LEU 3 H LEU 3 -2.902 -1.277 -7.710 15 HA LEU 3 HA LEU 3 -2.892 -2.975 -5.274 16 HB2 LEU 3 HB2 LEU 3 -3.922 -0.192 -5.769 17 HB3 LEU 3 HB3 LEU 3 -4.869 -1.235 -4.717 18 HG LEU 3 HG LEU 3 -3.244 0.200 -3.465 19 HD11 LEU 3 HD11 LEU 3 -4.053 -2.019 -2.670 20 HD12 LEU 3 HD12 LEU 3 -2.521 -1.496 -1.965 21 HD13 LEU 3 HD13 LEU 3 -2.541 -2.722 -3.233 22 HD21 LEU 3 HD21 LEU 3 -1.448 -0.068 -5.364 23 HD22 LEU 3 HD22 LEU 3 -0.997 -1.541 -4.511 24 HD23 LEU 3 HD23 LEU 3 -0.898 0.017 -3.691 25 H THR 4 H THR 4 -4.682 -4.346 -4.992 26 HA THR 4 HA THR 4 -6.087 -5.107 -7.330 27 HB THR 4 HB THR 4 -7.431 -6.560 -5.851 28 HG1 THR 4 HG1 THR 4 -6.014 -5.220 -3.791 29 HG21 THR 4 HG21 THR 4 -5.598 -7.903 -5.015 30 HG22 THR 4 HG22 THR 4 -4.514 -6.512 -5.046 31 HG23 THR 4 HG23 THR 4 -5.121 -7.192 -6.556 32 H GLY 5 H GLY 5 -8.443 -5.070 -7.671 33 HA2 GLY 5 HA2 GLY 5 -9.470 -2.484 -7.703 34 HA3 GLY 5 HA3 GLY 5 -10.418 -3.939 -7.977 35 H ASP 6 H ASP 6 -10.128 -5.123 -5.410 36 HA ASP 6 HA ASP 6 -12.125 -3.617 -3.972 37 HB2 ASP 6 HB2 ASP 6 -10.693 -6.169 -3.216 38 HB3 ASP 6 HB3 ASP 6 -12.062 -5.463 -2.347 39 H ALA 7 H ALA 7 -8.710 -3.601 -3.933 40 HA ALA 7 HA ALA 7 -8.199 -3.049 -1.200 41 HB1 ALA 7 HB1 ALA 7 -6.663 -2.262 -3.681 42 HB2 ALA 7 HB2 ALA 7 -6.364 -3.661 -2.653 43 HB3 ALA 7 HB3 ALA 7 -6.088 -2.031 -2.038 44 H LEU 8 H LEU 8 -7.523 -0.973 -0.308 45 HA LEU 8 HA LEU 8 -8.919 1.322 -1.527 46 HB2 LEU 8 HB2 LEU 8 -9.613 2.067 0.706 47 HB3 LEU 8 HB3 LEU 8 -10.337 0.524 0.274 48 HG LEU 8 HG LEU 8 -7.728 0.497 1.808 49 HD11 LEU 8 HD11 LEU 8 -10.398 0.795 3.185 50 HD12 LEU 8 HD12 LEU 8 -9.275 2.129 2.934 51 HD13 LEU 8 HD13 LEU 8 -8.796 0.753 3.927 52 HD21 LEU 8 HD21 LEU 8 -8.551 -1.671 1.154 53 HD22 LEU 8 HD22 LEU 8 -10.197 -1.260 1.626 54 HD23 LEU 8 HD23 LEU 8 -8.963 -1.510 2.859 55 H ILE 9 H ILE 9 -8.051 3.313 -1.204 56 HA ILE 9 HA ILE 9 -5.331 3.453 -0.099 57 HB ILE 9 HB ILE 9 -6.373 4.866 -2.590 58 HG12 ILE 9 HG12 ILE 9 -4.226 2.713 -2.386 59 HG13 ILE 9 HG13 ILE 9 -5.906 2.348 -2.764 60 HG21 ILE 9 HG21 ILE 9 -4.097 5.707 -2.842 61 HG22 ILE 9 HG22 ILE 9 -3.548 4.772 -1.453 62 HG23 ILE 9 HG23 ILE 9 -4.653 6.127 -1.220 63 HD11 ILE 9 HD11 ILE 9 -4.566 2.560 -4.831 64 HD12 ILE 9 HD12 ILE 9 -4.107 4.199 -4.367 65 HD13 ILE 9 HD13 ILE 9 -5.790 3.827 -4.743 66 H LEU 10 H LEU 10 -4.879 5.201 1.208 67 HA LEU 10 HA LEU 10 -7.092 6.646 2.292 68 HB2 LEU 10 HB2 LEU 10 -4.172 7.377 2.645 69 HB3 LEU 10 HB3 LEU 10 -5.518 7.748 3.709 70 HG LEU 10 HG LEU 10 -5.703 4.995 3.684 71 HD11 LEU 10 HD11 LEU 10 -2.934 5.657 2.836 72 HD12 LEU 10 HD12 LEU 10 -3.887 4.206 2.573 73 HD13 LEU 10 HD13 LEU 10 -3.069 4.449 4.108 74 HD21 LEU 10 HD21 LEU 10 -3.994 6.771 5.478 75 HD22 LEU 10 HD22 LEU 10 -4.342 5.085 5.854 76 HD23 LEU 10 HD23 LEU 10 -5.657 6.254 5.759 77 H SER 11 H SER 11 -7.780 8.714 1.948 78 HA SER 11 HA SER 11 -6.368 10.348 -0.042 79 HB2 SER 11 HB2 SER 11 -8.502 10.869 -1.144 80 HB3 SER 11 HB3 SER 11 -8.110 9.158 -1.265 81 HG SER 11 HG SER 11 -9.456 8.920 0.675 82 H ASP 12 H ASP 12 -7.968 12.514 -0.206 83 HA ASP 12 HA ASP 12 -7.291 13.997 2.022 84 HB2 ASP 12 HB2 ASP 12 -8.832 15.723 1.159 85 HB3 ASP 12 HB3 ASP 12 -7.867 15.017 -0.136 86 H ARG 13 H ARG 13 -10.362 12.323 1.333 87 HA ARG 13 HA ARG 13 -11.609 13.252 3.770 88 HB2 ARG 13 HB2 ARG 13 -12.856 12.560 1.647 89 HB3 ARG 13 HB3 ARG 13 -12.529 10.893 2.128 90 HG2 ARG 13 HG2 ARG 13 -13.528 11.609 4.448 91 HG3 ARG 13 HG3 ARG 13 -14.205 12.966 3.551 92 HD2 ARG 13 HD2 ARG 13 -15.907 11.359 3.467 93 HD3 ARG 13 HD3 ARG 13 -15.098 11.146 1.918 94 HE ARG 13 HE ARG 13 -13.772 9.383 3.491 95 HH11 ARG 13 HH11 ARG 13 -17.209 9.912 2.956 96 HH12 ARG 13 HH12 ARG 13 -17.640 8.270 3.300 97 HH21 ARG 13 HH21 ARG 13 -14.392 7.259 3.989 98 HH22 ARG 13 HH22 ARG 13 -16.053 6.780 3.882 99 H GLY 14 H GLY 14 -9.819 10.389 2.756 100 HA2 GLY 14 HA2 GLY 14 -8.662 9.413 4.892 101 HA3 GLY 14 HA3 GLY 14 -10.329 9.051 5.332 102 H TRP 15 H TRP 15 -9.876 6.780 5.316 103 HA TRP 15 HA TRP 15 -8.776 5.363 3.118 104 HB2 TRP 15 HB2 TRP 15 -10.431 4.610 5.509 105 HB3 TRP 15 HB3 TRP 15 -10.213 3.425 4.232 106 HD1 TRP 15 HD1 TRP 15 -7.594 2.802 3.631 107 HE1 TRP 15 HE1 TRP 15 -5.557 2.634 5.199 108 HE3 TRP 15 HE3 TRP 15 -9.326 5.500 7.612 109 HZ2 TRP 15 HZ2 TRP 15 -4.769 3.528 7.799 110 HZ3 TRP 15 HZ3 TRP 15 -7.905 5.815 9.623 111 HH2 TRP 15 HH2 TRP 15 -5.635 4.836 9.718 112 H LEU 16 H LEU 16 -9.566 5.142 1.141 113 HA LEU 16 HA LEU 16 -12.413 4.574 0.760 114 HB2 LEU 16 HB2 LEU 16 -11.233 7.133 0.142 115 HB3 LEU 16 HB3 LEU 16 -11.634 6.351 -1.378 116 HG LEU 16 HG LEU 16 -13.984 6.090 -0.669 117 HD11 LEU 16 HD11 LEU 16 -14.713 7.264 1.476 118 HD12 LEU 16 HD12 LEU 16 -13.012 7.295 1.945 119 HD13 LEU 16 HD13 LEU 16 -13.839 5.754 1.714 120 HD21 LEU 16 HD21 LEU 16 -13.095 8.908 -0.009 121 HD22 LEU 16 HD22 LEU 16 -14.627 8.403 -0.721 122 HD23 LEU 16 HD23 LEU 16 -13.139 8.279 -1.654 123 H ARG 17 H ARG 17 -12.889 3.648 -1.396 124 HA ARG 17 HA ARG 17 -11.132 1.578 -2.069 125 HB2 ARG 17 HB2 ARG 17 -13.454 2.796 -3.549 126 HB3 ARG 17 HB3 ARG 17 -12.540 1.453 -4.230 127 HG2 ARG 17 HG2 ARG 17 -13.671 1.325 -1.422 128 HG3 ARG 17 HG3 ARG 17 -14.646 0.886 -2.824 129 HD2 ARG 17 HD2 ARG 17 -12.959 -0.781 -3.494 130 HD3 ARG 17 HD3 ARG 17 -11.962 -0.340 -2.114 131 HE ARG 17 HE ARG 17 -13.376 -1.587 -0.748 132 HH11 ARG 17 HH11 ARG 17 -14.920 -1.132 -3.870 133 HH12 ARG 17 HH12 ARG 17 -16.210 -2.237 -3.529 134 HH21 ARG 17 HH21 ARG 17 -15.083 -3.011 -0.339 135 HH22 ARG 17 HH22 ARG 17 -16.299 -3.292 -1.541 136 H ILE 18 H ILE 18 -9.823 1.146 -3.826 137 HA ILE 18 HA ILE 18 -7.930 3.043 -4.513 138 HB ILE 18 HB ILE 18 -7.301 1.486 -6.426 139 HG12 ILE 18 HG12 ILE 18 -8.451 -0.826 -6.208 140 HG13 ILE 18 HG13 ILE 18 -9.743 0.001 -5.356 141 HG21 ILE 18 HG21 ILE 18 -6.105 1.135 -4.466 142 HG22 ILE 18 HG22 ILE 18 -6.817 -0.450 -4.731 143 HG23 ILE 18 HG23 ILE 18 -7.523 0.646 -3.546 144 HD11 ILE 18 HD11 ILE 18 -10.536 0.991 -7.261 145 HD12 ILE 18 HD12 ILE 18 -9.721 -0.355 -8.040 146 HD13 ILE 18 HD13 ILE 18 -8.933 1.218 -7.965 147 H ASP 19 H ASP 19 -11.065 2.751 -5.890 148 HA ASP 19 HA ASP 19 -10.290 4.622 -8.056 149 HB2 ASP 19 HB2 ASP 19 -10.912 2.375 -8.914 150 HB3 ASP 19 HB3 ASP 19 -12.508 2.565 -8.189 151 H ASP 20 H ASP 20 -11.143 5.303 -5.371 152 HA ASP 20 HA ASP 20 -13.862 6.302 -5.658 153 HB2 ASP 20 HB2 ASP 20 -12.339 5.508 -3.459 154 HB3 ASP 20 HB3 ASP 20 -12.415 7.256 -3.295 155 HA PRO 21 HA PRO 21 -12.921 10.298 -7.432 156 HB2 PRO 21 HB2 PRO 21 -14.718 11.405 -5.312 157 HB3 PRO 21 HB3 PRO 21 -14.702 11.718 -7.063 158 HG2 PRO 21 HG2 PRO 21 -16.520 10.127 -6.077 159 HG3 PRO 21 HG3 PRO 21 -15.673 9.665 -7.568 160 HD2 PRO 21 HD2 PRO 21 -15.276 8.620 -4.786 161 HD3 PRO 21 HD3 PRO 21 -15.241 7.740 -6.335 162 H THR 22 H THR 22 -12.630 9.919 -3.922 163 HA THR 22 HA THR 22 -11.363 12.362 -3.326 164 HB THR 22 HB THR 22 -10.550 11.223 -1.289 165 HG1 THR 22 HG1 THR 22 -11.134 9.055 -1.020 166 HG21 THR 22 HG21 THR 22 -13.420 10.516 -1.885 167 HG22 THR 22 HG22 THR 22 -12.875 12.168 -1.588 168 HG23 THR 22 HG23 THR 22 -12.705 10.946 -0.331 169 H LEU 23 H LEU 23 -9.953 9.257 -4.385 170 HA LEU 23 HA LEU 23 -7.295 10.487 -4.316 171 HB2 LEU 23 HB2 LEU 23 -6.369 8.329 -4.789 172 HB3 LEU 23 HB3 LEU 23 -7.589 8.141 -3.541 173 HG LEU 23 HG LEU 23 -9.144 7.729 -5.777 174 HD11 LEU 23 HD11 LEU 23 -6.557 6.364 -6.500 175 HD12 LEU 23 HD12 LEU 23 -7.008 7.932 -7.166 176 HD13 LEU 23 HD13 LEU 23 -8.024 6.523 -7.467 177 HD21 LEU 23 HD21 LEU 23 -9.254 5.511 -5.129 178 HD22 LEU 23 HD22 LEU 23 -8.655 6.255 -3.656 179 HD23 LEU 23 HD23 LEU 23 -7.544 5.392 -4.723 180 H GLN 24 H GLN 24 -9.863 9.945 -6.558 181 HA GLN 24 HA GLN 24 -8.392 9.871 -8.983 182 HB2 GLN 24 HB2 GLN 24 -11.187 10.903 -8.438 183 HB3 GLN 24 HB3 GLN 24 -10.509 10.657 -10.040 184 HG2 GLN 24 HG2 GLN 24 -10.879 8.499 -7.951 185 HG3 GLN 24 HG3 GLN 24 -11.915 8.744 -9.350 186 HE21 GLN 24 HE21 GLN 24 -10.003 6.492 -8.454 187 HE22 GLN 24 HE22 GLN 24 -9.066 6.183 -9.829 188 H GLU 25 H GLU 25 -9.700 12.601 -7.053 189 HA GLU 25 HA GLU 25 -8.071 14.435 -8.705 190 HB2 GLU 25 HB2 GLU 25 -9.891 16.085 -8.712 191 HB3 GLU 25 HB3 GLU 25 -10.345 14.589 -9.525 192 HG2 GLU 25 HG2 GLU 25 -11.483 13.829 -7.448 193 HG3 GLU 25 HG3 GLU 25 -11.081 15.366 -6.684 194 H CYS 26 H CYS 26 -8.764 13.496 -5.480 195 HA CYS 26 HA CYS 26 -7.799 16.113 -4.500 196 HB2 CYS 26 HB2 CYS 26 -9.504 14.099 -2.996 197 HB3 CYS 26 HB3 CYS 26 -8.825 15.569 -2.323 198 HG CYS 26 HG CYS 26 -11.320 15.445 -3.974 199 H ARG 27 H ARG 27 -6.494 16.071 -2.581 200 HA ARG 27 HA ARG 27 -4.129 14.691 -3.063 201 HB2 ARG 27 HB2 ARG 27 -5.053 16.123 -0.576 202 HB3 ARG 27 HB3 ARG 27 -3.407 15.544 -0.836 203 HG2 ARG 27 HG2 ARG 27 -3.337 16.889 -2.957 204 HG3 ARG 27 HG3 ARG 27 -4.900 17.576 -2.514 205 HD2 ARG 27 HD2 ARG 27 -2.389 17.742 -0.822 206 HD3 ARG 27 HD3 ARG 27 -3.012 19.040 -1.832 207 HE ARG 27 HE ARG 27 -5.105 18.299 -0.147 208 HH11 ARG 27 HH11 ARG 27 -1.864 19.592 0.250 209 HH12 ARG 27 HH12 ARG 27 -2.241 20.417 1.726 210 HH21 ARG 27 HH21 ARG 27 -5.557 19.388 1.782 211 HH22 ARG 27 HH22 ARG 27 -4.323 20.300 2.586 212 H VAL 28 H VAL 28 -3.000 13.122 -1.991 213 HA VAL 28 HA VAL 28 -4.528 11.339 -0.194 214 HB VAL 28 HB VAL 28 -3.448 9.381 -1.265 215 HG11 VAL 28 HG11 VAL 28 -5.100 11.235 -2.987 216 HG12 VAL 28 HG12 VAL 28 -5.654 9.873 -2.016 217 HG13 VAL 28 HG13 VAL 28 -4.712 9.586 -3.478 218 HG21 VAL 28 HG21 VAL 28 -2.343 9.703 -3.480 219 HG22 VAL 28 HG22 VAL 28 -1.449 10.499 -2.185 220 HG23 VAL 28 HG23 VAL 28 -2.463 11.450 -3.270 221 H LEU 29 H LEU 29 -3.145 9.918 1.149 222 HA LEU 29 HA LEU 29 -1.096 11.496 2.396 223 HB2 LEU 29 HB2 LEU 29 -2.177 8.741 2.980 224 HB3 LEU 29 HB3 LEU 29 -0.897 9.492 3.931 225 HG LEU 29 HG LEU 29 -3.572 10.833 3.437 226 HD11 LEU 29 HD11 LEU 29 -4.196 10.081 5.700 227 HD12 LEU 29 HD12 LEU 29 -2.680 9.188 5.829 228 HD13 LEU 29 HD13 LEU 29 -3.895 8.698 4.649 229 HD21 LEU 29 HD21 LEU 29 -1.228 11.308 5.309 230 HD22 LEU 29 HD22 LEU 29 -2.806 12.042 5.584 231 HD23 LEU 29 HD23 LEU 29 -1.900 12.423 4.120 232 H SER 30 H SER 30 1.035 11.314 2.406 233 HA SER 30 HA SER 30 2.442 8.992 1.302 234 HB2 SER 30 HB2 SER 30 3.076 11.691 0.145 235 HB3 SER 30 HB3 SER 30 3.511 10.098 -0.452 236 HG SER 30 HG SER 30 1.092 11.504 -0.626 237 H TYR 31 H TYR 31 4.868 9.370 1.516 238 HA TYR 31 HA TYR 31 5.367 10.869 4.013 239 HB2 TYR 31 HB2 TYR 31 5.830 8.377 3.955 240 HB3 TYR 31 HB3 TYR 31 7.121 8.729 2.802 241 HD1 TYR 31 HD1 TYR 31 5.960 9.186 6.281 242 HD2 TYR 31 HD2 TYR 31 9.150 9.878 3.493 243 HE1 TYR 31 HE1 TYR 31 7.464 9.795 8.156 244 HE2 TYR 31 HE2 TYR 31 10.656 10.483 5.369 245 HH TYR 31 HH TYR 31 9.515 11.102 8.517 246 H ASN 32 H ASN 32 6.265 12.776 3.775 247 HA ASN 32 HA ASN 32 7.820 13.320 1.372 248 HB2 ASN 32 HB2 ASN 32 6.291 14.948 3.315 249 HB3 ASN 32 HB3 ASN 32 7.789 15.684 2.749 250 HD21 ASN 32 HD21 ASN 32 7.622 16.778 0.784 251 HD22 ASN 32 HD22 ASN 32 6.398 16.523 -0.371 252 H GLU 33 H GLU 33 9.452 11.857 2.064 253 HA GLU 33 HA GLU 33 11.023 12.096 4.352 254 HB2 GLU 33 HB2 GLU 33 12.841 11.021 2.990 255 HB3 GLU 33 HB3 GLU 33 11.295 10.178 2.911 256 HG2 GLU 33 HG2 GLU 33 10.785 11.241 0.777 257 HG3 GLU 33 HG3 GLU 33 12.294 12.157 0.836 258 H SER 34 H SER 34 10.814 14.206 1.627 259 HA SER 34 HA SER 34 13.315 15.528 1.782 260 HB2 SER 34 HB2 SER 34 11.747 15.844 -0.106 261 HB3 SER 34 HB3 SER 34 10.598 16.605 0.989 262 HG SER 34 HG SER 34 11.753 18.248 0.076 263 H THR 35 H THR 35 10.185 16.042 3.382 264 HA THR 35 HA THR 35 11.371 18.074 5.153 265 HB THR 35 HB THR 35 9.033 18.536 5.834 266 HG1 THR 35 HG1 THR 35 8.394 16.284 5.231 267 HG21 THR 35 HG21 THR 35 10.159 19.650 3.862 268 HG22 THR 35 HG22 THR 35 8.396 19.645 3.808 269 HG23 THR 35 HG23 THR 35 9.310 18.503 2.825 270 H GLN 36 H GLN 36 10.843 14.747 5.180 271 HA GLN 36 HA GLN 36 10.912 13.134 6.790 272 HB2 GLN 36 HB2 GLN 36 11.952 15.422 8.485 273 HB3 GLN 36 HB3 GLN 36 11.989 13.724 8.958 274 HG2 GLN 36 HG2 GLN 36 13.346 13.204 6.952 275 HG3 GLN 36 HG3 GLN 36 13.341 14.913 6.516 276 HE21 GLN 36 HE21 GLN 36 15.325 15.816 7.062 277 HE22 GLN 36 HE22 GLN 36 16.189 15.480 8.484 278 H GLN 37 H GLN 37 8.417 14.352 6.326 279 HA GLN 37 HA GLN 37 7.045 13.565 8.735 280 HB2 GLN 37 HB2 GLN 37 5.773 15.661 9.034 281 HB3 GLN 37 HB3 GLN 37 7.496 15.900 9.312 282 HG2 GLN 37 HG2 GLN 37 7.728 16.758 6.987 283 HG3 GLN 37 HG3 GLN 37 5.986 16.588 6.770 284 HE21 GLN 37 HE21 GLN 37 4.844 18.479 7.188 285 HE22 GLN 37 HE22 GLN 37 5.355 19.716 8.231 286 H TRP 38 H TRP 38 4.641 13.589 8.460 287 HA TRP 38 HA TRP 38 3.936 12.450 5.930 288 HB2 TRP 38 HB2 TRP 38 2.284 13.263 8.328 289 HB3 TRP 38 HB3 TRP 38 1.593 12.512 6.892 290 HD1 TRP 38 HD1 TRP 38 3.202 11.703 10.109 291 HE1 TRP 38 HE1 TRP 38 3.742 9.187 10.239 292 HE3 TRP 38 HE3 TRP 38 2.499 10.400 5.225 293 HZ2 TRP 38 HZ2 TRP 38 3.873 6.922 8.496 294 HZ3 TRP 38 HZ3 TRP 38 2.841 8.058 4.484 295 HH2 TRP 38 HH2 TRP 38 3.526 6.317 6.113 296 H GLU 39 H GLU 39 2.926 13.330 4.209 297 HA GLU 39 HA GLU 39 1.788 16.023 4.411 298 HB2 GLU 39 HB2 GLU 39 4.128 15.248 2.684 299 HB3 GLU 39 HB3 GLU 39 3.034 16.536 2.183 300 HG2 GLU 39 HG2 GLU 39 4.425 16.464 4.877 301 HG3 GLU 39 HG3 GLU 39 5.046 17.340 3.480 302 H TRP 40 H TRP 40 0.357 16.570 2.735 303 HA TRP 40 HA TRP 40 -0.816 14.241 1.396 304 HB2 TRP 40 HB2 TRP 40 -1.854 16.823 2.406 305 HB3 TRP 40 HB3 TRP 40 -2.463 16.424 0.809 306 HD1 TRP 40 HD1 TRP 40 -3.642 13.940 0.580 307 HE1 TRP 40 HE1 TRP 40 -5.098 12.672 2.287 308 HE3 TRP 40 HE3 TRP 40 -2.325 16.394 4.864 309 HZ2 TRP 40 HZ2 TRP 40 -5.638 12.693 5.085 310 HZ3 TRP 40 HZ3 TRP 40 -3.329 15.747 7.039 311 HH2 TRP 40 HH2 TRP 40 -4.983 13.901 7.155 312 H GLN 41 H GLN 41 -0.221 13.797 -0.569 313 HA GLN 41 HA GLN 41 0.900 15.894 -2.296 314 HB2 GLN 41 HB2 GLN 41 1.289 12.957 -2.002 315 HB3 GLN 41 HB3 GLN 41 1.322 13.557 -3.655 316 HG2 GLN 41 HG2 GLN 41 3.592 13.541 -2.675 317 HG3 GLN 41 HG3 GLN 41 3.064 15.175 -3.054 318 HE21 GLN 41 HE21 GLN 41 3.761 16.569 -1.427 319 HE22 GLN 41 HE22 GLN 41 3.743 16.216 0.233 320 H GLN 42 H GLN 42 0.305 15.960 -4.568 321 HA GLN 42 HA GLN 42 -2.550 15.662 -4.809 322 HB2 GLN 42 HB2 GLN 42 -0.522 17.351 -6.040 323 HB3 GLN 42 HB3 GLN 42 -1.533 16.624 -7.287 324 HG2 GLN 42 HG2 GLN 42 -2.784 17.913 -4.857 325 HG3 GLN 42 HG3 GLN 42 -2.290 18.890 -6.239 326 HE21 GLN 42 HE21 GLN 42 -4.262 15.942 -5.495 327 HE22 GLN 42 HE22 GLN 42 -5.383 16.210 -6.726 328 H VAL 43 H VAL 43 -3.654 14.352 -6.086 329 HA VAL 43 HA VAL 43 -2.342 11.966 -6.991 330 HB VAL 43 HB VAL 43 -4.589 11.209 -7.607 331 HG11 VAL 43 HG11 VAL 43 -5.621 11.529 -5.255 332 HG12 VAL 43 HG12 VAL 43 -4.174 12.461 -4.899 333 HG13 VAL 43 HG13 VAL 43 -4.037 10.768 -5.369 334 HG21 VAL 43 HG21 VAL 43 -5.715 13.116 -8.424 335 HG22 VAL 43 HG22 VAL 43 -5.306 14.088 -7.014 336 HG23 VAL 43 HG23 VAL 43 -6.516 12.809 -6.884 337 H LEU 44 H LEU 44 -1.171 12.142 -8.639 338 HA LEU 44 HA LEU 44 -1.210 13.945 -10.708 339 HB2 LEU 44 HB2 LEU 44 0.518 12.126 -9.806 340 HB3 LEU 44 HB3 LEU 44 -0.136 11.192 -11.137 341 HG LEU 44 HG LEU 44 0.311 13.292 -12.594 342 HD11 LEU 44 HD11 LEU 44 2.066 13.827 -10.197 343 HD12 LEU 44 HD12 LEU 44 0.668 14.789 -10.668 344 HD13 LEU 44 HD13 LEU 44 2.100 14.744 -11.709 345 HD21 LEU 44 HD21 LEU 44 1.653 11.120 -12.553 346 HD22 LEU 44 HD22 LEU 44 2.749 11.914 -11.423 347 HD23 LEU 44 HD23 LEU 44 2.560 12.547 -13.060 348 H ARG 45 H ARG 45 -2.126 10.459 -10.933 349 HA ARG 45 HA ARG 45 -4.309 10.924 -12.709 350 HB2 ARG 45 HB2 ARG 45 -3.288 10.114 -14.801 351 HB3 ARG 45 HB3 ARG 45 -2.447 11.554 -14.204 352 HG2 ARG 45 HG2 ARG 45 -0.818 9.913 -13.051 353 HG3 ARG 45 HG3 ARG 45 -1.507 8.679 -14.103 354 HD2 ARG 45 HD2 ARG 45 -0.274 11.277 -15.066 355 HD3 ARG 45 HD3 ARG 45 0.542 9.719 -15.068 356 HE ARG 45 HE ARG 45 -1.846 9.352 -16.459 357 HH11 ARG 45 HH11 ARG 45 1.049 11.314 -16.830 358 HH12 ARG 45 HH12 ARG 45 0.940 11.366 -18.558 359 HH21 ARG 45 HH21 ARG 45 -1.948 9.447 -18.717 360 HH22 ARG 45 HH22 ARG 45 -0.750 10.314 -19.618 361 H TRP 46 H TRP 46 -5.545 9.113 -12.918 362 HA TRP 46 HA TRP 46 -4.799 6.827 -11.298 363 HB2 TRP 46 HB2 TRP 46 -7.058 7.887 -11.237 364 HB3 TRP 46 HB3 TRP 46 -7.319 7.336 -12.889 365 HD1 TRP 46 HD1 TRP 46 -6.132 5.633 -9.596 366 HE1 TRP 46 HE1 TRP 46 -7.414 3.404 -9.357 367 HE3 TRP 46 HE3 TRP 46 -8.939 5.768 -13.863 368 HZ2 TRP 46 HZ2 TRP 46 -9.361 1.879 -10.799 369 HZ3 TRP 46 HZ3 TRP 46 -10.498 3.916 -14.403 370 HH2 TRP 46 HH2 TRP 46 -10.712 1.974 -12.877 371 H LEU 47 H LEU 47 -3.525 5.322 -12.170 372 HA LEU 47 HA LEU 47 -3.864 4.553 -14.987 373 HB2 LEU 47 HB2 LEU 47 -1.584 3.975 -13.073 374 HB3 LEU 47 HB3 LEU 47 -1.643 3.508 -14.769 375 HG LEU 47 HG LEU 47 -1.771 6.381 -13.779 376 HD11 LEU 47 HD11 LEU 47 0.430 5.420 -13.324 377 HD12 LEU 47 HD12 LEU 47 0.546 6.524 -14.695 378 HD13 LEU 47 HD13 LEU 47 0.518 4.782 -14.965 379 HD21 LEU 47 HD21 LEU 47 -2.849 6.132 -15.920 380 HD22 LEU 47 HD22 LEU 47 -1.549 5.105 -16.520 381 HD23 LEU 47 HD23 LEU 47 -1.253 6.825 -16.230 382 H ASP 48 H ASP 48 -4.782 2.699 -15.495 383 HA ASP 48 HA ASP 48 -5.429 0.723 -13.405 384 HB2 ASP 48 HB2 ASP 48 -6.244 0.869 -16.329 385 HB3 ASP 48 HB3 ASP 48 -6.875 -0.254 -15.130 386 H GLN 49 H GLN 49 -4.172 -1.084 -13.180 387 HA GLN 49 HA GLN 49 -2.145 -1.635 -15.231 388 HB2 GLN 49 HB2 GLN 49 -2.422 -2.523 -12.360 389 HB3 GLN 49 HB3 GLN 49 -1.287 -3.296 -13.461 390 HG2 GLN 49 HG2 GLN 49 -0.066 -1.565 -12.343 391 HG3 GLN 49 HG3 GLN 49 -0.377 -0.981 -13.976 392 HE21 GLN 49 HE21 GLN 49 -2.224 -0.990 -10.869 393 HE22 GLN 49 HE22 GLN 49 -2.656 0.647 -10.969 394 H GLY 50 H GLY 50 -5.220 -2.553 -15.001 395 HA2 GLY 50 HA2 GLY 50 -6.419 -4.270 -15.991 396 HA3 GLY 50 HA3 GLY 50 -4.901 -4.813 -16.694 397 H VAL 51 H VAL 51 -4.514 -6.857 -16.248 398 HA VAL 51 HA VAL 51 -5.228 -7.856 -13.554 399 HB VAL 51 HB VAL 51 -5.564 -10.075 -14.587 400 HG11 VAL 51 HG11 VAL 51 -7.492 -8.649 -14.235 401 HG12 VAL 51 HG12 VAL 51 -7.681 -9.492 -15.772 402 HG13 VAL 51 HG13 VAL 51 -7.185 -7.800 -15.750 403 HG21 VAL 51 HG21 VAL 51 -4.171 -9.946 -16.561 404 HG22 VAL 51 HG22 VAL 51 -5.037 -8.526 -17.148 405 HG23 VAL 51 HG23 VAL 51 -5.837 -10.097 -17.124 406 H ARG 52 H ARG 52 -3.721 -8.678 -12.353 407 HA ARG 52 HA ARG 52 -1.408 -10.043 -13.441 408 HB2 ARG 52 HB2 ARG 52 0.307 -8.640 -12.407 409 HB3 ARG 52 HB3 ARG 52 -0.626 -7.710 -13.576 410 HG2 ARG 52 HG2 ARG 52 -1.688 -6.447 -11.943 411 HG3 ARG 52 HG3 ARG 52 -1.516 -7.666 -10.692 412 HD2 ARG 52 HD2 ARG 52 -0.047 -5.718 -10.286 413 HD3 ARG 52 HD3 ARG 52 0.880 -7.188 -10.514 414 HE ARG 52 HE ARG 52 0.595 -4.992 -12.491 415 HH11 ARG 52 HH11 ARG 52 2.291 -7.923 -11.448 416 HH12 ARG 52 HH12 ARG 52 3.564 -7.711 -12.593 417 HH21 ARG 52 HH21 ARG 52 2.302 -4.790 -13.952 418 HH22 ARG 52 HH22 ARG 52 3.573 -5.965 -13.994 419 H GLU 53 H GLU 53 0.115 -10.735 -11.649 420 HA GLU 53 HA GLU 53 -1.388 -12.032 -9.569 421 HB2 GLU 53 HB2 GLU 53 1.526 -11.954 -10.319 422 HB3 GLU 53 HB3 GLU 53 1.005 -12.683 -8.802 423 HG2 GLU 53 HG2 GLU 53 1.111 -14.439 -10.455 424 HG3 GLU 53 HG3 GLU 53 -0.587 -14.113 -10.116 425 H THR 54 H THR 54 -1.299 -11.679 -7.339 426 HA THR 54 HA THR 54 0.173 -9.270 -6.470 427 HB THR 54 HB THR 54 -2.110 -8.497 -7.047 428 HG1 THR 54 HG1 THR 54 -1.897 -7.181 -5.454 429 HG21 THR 54 HG21 THR 54 -3.845 -9.200 -5.169 430 HG22 THR 54 HG22 THR 54 -2.888 -10.677 -5.129 431 HG23 THR 54 HG23 THR 54 -3.663 -10.170 -6.630 432 H TRP 55 H TRP 55 0.651 -9.088 -4.305 433 HA TRP 55 HA TRP 55 0.502 -11.618 -2.788 434 HB2 TRP 55 HB2 TRP 55 2.511 -9.353 -2.758 435 HB3 TRP 55 HB3 TRP 55 2.505 -10.663 -1.582 436 HD1 TRP 55 HD1 TRP 55 2.317 -10.498 -5.467 437 HE1 TRP 55 HE1 TRP 55 3.922 -12.277 -6.415 438 HE3 TRP 55 HE3 TRP 55 4.162 -12.460 -1.120 439 HZ2 TRP 55 HZ2 TRP 55 5.746 -14.249 -5.471 440 HZ3 TRP 55 HZ3 TRP 55 5.837 -14.284 -1.181 441 HH2 TRP 55 HH2 TRP 55 6.630 -15.180 -3.351 442 H LYS 56 H LYS 56 -0.747 -11.596 -0.983 443 HA LYS 56 HA LYS 56 -1.842 -9.081 -0.009 444 HB2 LYS 56 HB2 LYS 56 -3.380 -10.998 -0.272 445 HB3 LYS 56 HB3 LYS 56 -2.421 -11.934 0.870 446 HG2 LYS 56 HG2 LYS 56 -2.937 -10.313 2.671 447 HG3 LYS 56 HG3 LYS 56 -3.873 -9.336 1.546 448 HD2 LYS 56 HD2 LYS 56 -5.409 -11.231 1.172 449 HD3 LYS 56 HD3 LYS 56 -4.473 -12.208 2.303 450 HE2 LYS 56 HE2 LYS 56 -4.950 -10.596 4.104 451 HE3 LYS 56 HE3 LYS 56 -5.883 -9.611 2.979 452 HZ1 LYS 56 HZ1 LYS 56 -6.484 -12.437 3.666 453 HZ2 LYS 56 HZ2 LYS 56 -7.408 -11.425 2.660 454 HZ3 LYS 56 HZ3 LYS 56 -7.279 -11.091 4.322 455 H ILE 57 H ILE 57 -0.129 -8.099 0.922 456 HA ILE 57 HA ILE 57 1.418 -9.339 3.033 457 HB ILE 57 HB ILE 57 1.276 -6.355 2.482 458 HG12 ILE 57 HG12 ILE 57 3.647 -7.233 1.249 459 HG13 ILE 57 HG13 ILE 57 2.546 -8.541 0.846 460 HG21 ILE 57 HG21 ILE 57 3.370 -6.252 3.612 461 HG22 ILE 57 HG22 ILE 57 3.550 -8.005 3.595 462 HG23 ILE 57 HG23 ILE 57 2.315 -7.256 4.608 463 HD11 ILE 57 HD11 ILE 57 0.977 -6.946 -0.156 464 HD12 ILE 57 HD12 ILE 57 2.576 -6.744 -0.868 465 HD13 ILE 57 HD13 ILE 57 2.001 -5.599 0.342 466 H LYS 58 H LYS 58 0.457 -9.836 4.833 467 HA LYS 58 HA LYS 58 -1.718 -8.181 5.867 468 HB2 LYS 58 HB2 LYS 58 -2.026 -10.669 5.603 469 HB3 LYS 58 HB3 LYS 58 -0.789 -10.894 6.825 470 HG2 LYS 58 HG2 LYS 58 -2.078 -9.761 8.519 471 HG3 LYS 58 HG3 LYS 58 -3.250 -9.194 7.335 472 HD2 LYS 58 HD2 LYS 58 -4.236 -11.032 8.527 473 HD3 LYS 58 HD3 LYS 58 -3.861 -11.610 6.899 474 HE2 LYS 58 HE2 LYS 58 -1.781 -12.649 7.769 475 HE3 LYS 58 HE3 LYS 58 -2.172 -12.056 9.382 476 HZ1 LYS 58 HZ1 LYS 58 -3.900 -13.512 9.610 477 HZ2 LYS 58 HZ2 LYS 58 -2.835 -14.449 8.674 478 HZ3 LYS 58 HZ3 LYS 58 -4.154 -13.667 7.941 479 H THR 59 H THR 59 -1.616 -7.046 7.682 480 HA THR 59 HA THR 59 0.700 -7.355 9.491 481 HB THR 59 HB THR 59 1.041 -4.998 9.723 482 HG1 THR 59 HG1 THR 59 -0.511 -3.648 9.341 483 HG21 THR 59 HG21 THR 59 0.569 -5.199 6.759 484 HG22 THR 59 HG22 THR 59 1.844 -6.148 7.529 485 HG23 THR 59 HG23 THR 59 1.878 -4.386 7.616 486 H PHE 60 H PHE 60 0.298 -6.393 11.623 487 HA PHE 60 HA PHE 60 -2.058 -7.430 12.719 488 HB2 PHE 60 HB2 PHE 60 0.086 -7.108 13.963 489 HB3 PHE 60 HB3 PHE 60 -0.213 -5.372 13.976 490 HD1 PHE 60 HD1 PHE 60 -1.523 -8.660 15.131 491 HD2 PHE 60 HD2 PHE 60 -1.767 -4.387 15.518 492 HE1 PHE 60 HE1 PHE 60 -2.946 -8.923 17.145 493 HE2 PHE 60 HE2 PHE 60 -3.190 -4.652 17.533 494 HZ PHE 60 HZ PHE 60 -3.779 -6.921 18.345 495 H GLN 61 H GLN 61 -1.220 -4.113 11.753 496 HA GLN 61 HA GLN 61 -3.709 -3.046 12.829 497 HB2 GLN 61 HB2 GLN 61 -1.521 -1.704 11.222 498 HB3 GLN 61 HB3 GLN 61 -2.902 -0.880 11.944 499 HG2 GLN 61 HG2 GLN 61 -2.164 -1.763 14.186 500 HG3 GLN 61 HG3 GLN 61 -0.712 -2.379 13.392 501 HE21 GLN 61 HE21 GLN 61 0.972 -0.999 13.935 502 HE22 GLN 61 HE22 GLN 61 0.888 0.703 13.865 503 H THR 62 H THR 62 -2.441 -4.025 9.689 504 HA THR 62 HA THR 62 -5.092 -3.833 8.539 505 HB THR 62 HB THR 62 -4.293 -1.517 8.291 506 HG1 THR 62 HG1 THR 62 -5.059 -1.412 6.323 507 HG21 THR 62 HG21 THR 62 -1.817 -2.318 8.115 508 HG22 THR 62 HG22 THR 62 -2.321 -0.921 7.165 509 HG23 THR 62 HG23 THR 62 -2.168 -2.501 6.396 510 H GLU 63 H GLU 63 -4.811 -4.216 6.000 511 HA GLU 63 HA GLU 63 -2.674 -6.051 5.327 512 HB2 GLU 63 HB2 GLU 63 -4.191 -7.885 4.652 513 HB3 GLU 63 HB3 GLU 63 -4.302 -7.574 6.386 514 HG2 GLU 63 HG2 GLU 63 -6.319 -6.118 5.905 515 HG3 GLU 63 HG3 GLU 63 -6.242 -6.686 4.235 516 H ILE 64 H ILE 64 -2.547 -6.438 3.006 517 HA ILE 64 HA ILE 64 -4.384 -5.094 1.249 518 HB ILE 64 HB ILE 64 -3.144 -3.179 2.182 519 HG12 ILE 64 HG12 ILE 64 -2.327 -2.228 -0.013 520 HG13 ILE 64 HG13 ILE 64 -2.539 -3.820 -0.731 521 HG21 ILE 64 HG21 ILE 64 -0.740 -4.675 1.126 522 HG22 ILE 64 HG22 ILE 64 -1.031 -4.106 2.770 523 HG23 ILE 64 HG23 ILE 64 -0.703 -2.948 1.481 524 HD11 ILE 64 HD11 ILE 64 -4.684 -3.296 -1.147 525 HD12 ILE 64 HD12 ILE 64 -4.526 -1.765 -0.292 526 HD13 ILE 64 HD13 ILE 64 -5.013 -3.215 0.579 527 H LYS 65 H LYS 65 -4.077 -5.575 -0.954 528 HA LYS 65 HA LYS 65 -1.918 -7.509 -1.489 529 HB2 LYS 65 HB2 LYS 65 -4.434 -7.537 -3.142 530 HB3 LYS 65 HB3 LYS 65 -3.227 -8.785 -2.842 531 HG2 LYS 65 HG2 LYS 65 -4.892 -9.629 -1.483 532 HG3 LYS 65 HG3 LYS 65 -4.093 -8.574 -0.327 533 HD2 LYS 65 HD2 LYS 65 -6.379 -8.016 -0.097 534 HD3 LYS 65 HD3 LYS 65 -5.741 -6.743 -1.136 535 HE2 LYS 65 HE2 LYS 65 -7.743 -7.442 -2.209 536 HE3 LYS 65 HE3 LYS 65 -6.459 -8.242 -3.113 537 HZ1 LYS 65 HZ1 LYS 65 -6.856 -10.100 -1.347 538 HZ2 LYS 65 HZ2 LYS 65 -7.859 -9.980 -2.713 539 HZ3 LYS 65 HZ3 LYS 65 -8.384 -9.379 -1.213 540 H CYS 66 H CYS 66 -0.461 -6.851 -2.821 541 HA CYS 66 HA CYS 66 -1.072 -5.162 -5.116 542 HB2 CYS 66 HB2 CYS 66 0.653 -3.518 -4.487 543 HB3 CYS 66 HB3 CYS 66 -0.662 -3.557 -3.315 544 HG CYS 66 HG CYS 66 1.702 -5.378 -2.599 545 H THR 67 H THR 67 1.081 -4.715 -6.332 546 HA THR 67 HA THR 67 2.150 -7.089 -7.261 547 HB THR 67 HB THR 67 3.595 -4.420 -7.239 548 HG1 THR 67 HG1 THR 67 2.073 -3.788 -8.514 549 HG21 THR 67 HG21 THR 67 3.724 -6.225 -9.580 550 HG22 THR 67 HG22 THR 67 4.564 -6.834 -8.156 551 HG23 THR 67 HG23 THR 67 4.994 -5.266 -8.832 552 H GLY 68 H GLY 68 3.790 -8.426 -6.691 553 HA2 GLY 68 HA2 GLY 68 4.852 -8.187 -4.012 554 HA3 GLY 68 HA3 GLY 68 5.006 -9.564 -5.083 555 H ASN 69 H ASN 69 5.985 -6.908 -6.866 556 HA ASN 69 HA ASN 69 8.820 -7.431 -6.197 557 HB2 ASN 69 HB2 ASN 69 7.505 -6.762 -8.817 558 HB3 ASN 69 HB3 ASN 69 9.256 -6.687 -8.573 559 HD21 ASN 69 HD21 ASN 69 6.550 -8.853 -9.023 560 HD22 ASN 69 HD22 ASN 69 7.441 -10.296 -8.933 561 H HIS 70 H HIS 70 6.499 -4.987 -5.989 562 HA HIS 70 HA HIS 70 8.311 -2.763 -6.418 563 HB2 HIS 70 HB2 HIS 70 6.448 -1.335 -6.036 564 HB3 HIS 70 HB3 HIS 70 5.763 -2.732 -6.853 565 HD2 HIS 70 HD2 HIS 70 4.173 -0.747 -4.475 566 HE1 HIS 70 HE1 HIS 70 4.043 -4.419 -2.401 567 HE2 HIS 70 HE2 HIS 70 3.072 -2.076 -2.516 568 H LEU 71 H LEU 71 8.948 -1.241 -4.738 569 HA LEU 71 HA LEU 71 9.533 -2.603 -2.202 570 HB2 LEU 71 HB2 LEU 71 10.628 -0.095 -3.479 571 HB3 LEU 71 HB3 LEU 71 10.971 -0.545 -1.810 572 HG LEU 71 HG LEU 71 11.722 -2.819 -2.739 573 HD11 LEU 71 HD11 LEU 71 12.590 -2.557 -5.166 574 HD12 LEU 71 HD12 LEU 71 11.457 -1.212 -5.285 575 HD13 LEU 71 HD13 LEU 71 10.865 -2.837 -4.947 576 HD21 LEU 71 HD21 LEU 71 13.297 -1.092 -1.921 577 HD22 LEU 71 HD22 LEU 71 13.282 -0.326 -3.510 578 HD23 LEU 71 HD23 LEU 71 13.967 -1.940 -3.316 579 H ILE 72 H ILE 72 8.821 -1.992 -0.261 580 HA ILE 72 HA ILE 72 7.059 0.363 -0.054 581 HB ILE 72 HB ILE 72 5.653 -0.892 1.561 582 HG12 ILE 72 HG12 ILE 72 7.179 -3.376 0.677 583 HG13 ILE 72 HG13 ILE 72 7.540 -2.530 2.180 584 HG21 ILE 72 HG21 ILE 72 4.446 -2.179 -0.075 585 HG22 ILE 72 HG22 ILE 72 5.900 -2.427 -1.043 586 HG23 ILE 72 HG23 ILE 72 5.178 -0.822 -0.933 587 HD11 ILE 72 HD11 ILE 72 6.023 -4.287 2.771 588 HD12 ILE 72 HD12 ILE 72 4.963 -3.924 1.410 589 HD13 ILE 72 HD13 ILE 72 5.063 -2.807 2.771 590 H ARG 73 H ARG 73 7.082 1.414 2.025 591 HA ARG 73 HA ARG 73 9.703 1.529 3.071 592 HB2 ARG 73 HB2 ARG 73 7.979 3.430 3.049 593 HB3 ARG 73 HB3 ARG 73 7.335 2.700 4.520 594 HG2 ARG 73 HG2 ARG 73 8.923 4.289 5.315 595 HG3 ARG 73 HG3 ARG 73 9.778 2.755 5.406 596 HD2 ARG 73 HD2 ARG 73 11.390 3.937 4.303 597 HD3 ARG 73 HD3 ARG 73 10.477 3.471 2.891 598 HE ARG 73 HE ARG 73 9.452 5.673 2.878 599 HH11 ARG 73 HH11 ARG 73 12.071 5.377 5.240 600 HH12 ARG 73 HH12 ARG 73 12.331 7.082 5.307 601 HH21 ARG 73 HH21 ARG 73 9.902 7.874 2.979 602 HH22 ARG 73 HH22 ARG 73 11.122 8.478 4.050 603 H THR 74 H THR 74 10.648 0.857 4.856 604 HA THR 74 HA THR 74 9.155 -0.830 6.749 605 HB THR 74 HB THR 74 11.921 -1.445 5.671 606 HG1 THR 74 HG1 THR 74 9.476 -2.790 5.187 607 HG21 THR 74 HG21 THR 74 11.651 -2.295 7.898 608 HG22 THR 74 HG22 THR 74 11.448 -3.642 6.789 609 HG23 THR 74 HG23 THR 74 10.034 -2.897 7.531 610 H ASP 75 H ASP 75 10.251 -0.974 8.874 611 HA ASP 75 HA ASP 75 10.925 1.485 9.934 612 HB2 ASP 75 HB2 ASP 75 11.826 0.283 11.887 613 HB3 ASP 75 HB3 ASP 75 10.302 -0.406 11.348 614 H LYS 76 H LYS 76 12.975 -0.609 8.072 615 HA LYS 76 HA LYS 76 15.363 0.963 8.808 616 HB2 LYS 76 HB2 LYS 76 16.693 -0.798 7.706 617 HB3 LYS 76 HB3 LYS 76 15.691 -1.444 9.002 618 HG2 LYS 76 HG2 LYS 76 13.949 -1.947 7.135 619 HG3 LYS 76 HG3 LYS 76 15.284 -1.683 6.020 620 HD2 LYS 76 HD2 LYS 76 15.479 -3.979 6.359 621 HD3 LYS 76 HD3 LYS 76 16.573 -3.391 7.604 622 HE2 LYS 76 HE2 LYS 76 13.651 -3.824 8.251 623 HE3 LYS 76 HE3 LYS 76 14.769 -5.186 8.237 624 HZ1 LYS 76 HZ1 LYS 76 16.202 -3.544 9.664 625 HZ2 LYS 76 HZ2 LYS 76 14.991 -4.503 10.375 626 HZ3 LYS 76 HZ3 LYS 76 14.689 -2.868 10.021 627 H GLY 77 H GLY 77 13.038 0.637 6.292 628 HA2 GLY 77 HA2 GLY 77 13.382 2.735 4.772 629 HA3 GLY 77 HA3 GLY 77 14.817 1.850 4.271 630 H TRP 78 H TRP 78 13.615 2.165 2.148 631 HA TRP 78 HA TRP 78 11.245 0.730 1.504 632 HB2 TRP 78 HB2 TRP 78 13.554 1.593 -0.260 633 HB3 TRP 78 HB3 TRP 78 12.010 0.990 -0.854 634 HD1 TRP 78 HD1 TRP 78 13.702 4.111 0.002 635 HE1 TRP 78 HE1 TRP 78 12.017 6.044 0.263 636 HE3 TRP 78 HE3 TRP 78 9.354 1.460 0.227 637 HZ2 TRP 78 HZ2 TRP 78 9.198 6.411 0.540 638 HZ3 TRP 78 HZ3 TRP 78 7.180 2.625 0.502 639 HH2 TRP 78 HH2 TRP 78 7.102 5.093 0.660 640 H ILE 79 H ILE 79 10.879 -1.362 1.066 641 HA ILE 79 HA ILE 79 13.114 -3.137 0.398 642 HB ILE 79 HB ILE 79 11.130 -3.747 2.630 643 HG12 ILE 79 HG12 ILE 79 14.154 -3.397 2.789 644 HG13 ILE 79 HG13 ILE 79 13.020 -2.097 3.154 645 HG21 ILE 79 HG21 ILE 79 13.381 -5.371 1.386 646 HG22 ILE 79 HG22 ILE 79 11.671 -5.799 1.465 647 HG23 ILE 79 HG23 ILE 79 12.641 -5.775 2.937 648 HD11 ILE 79 HD11 ILE 79 11.964 -3.961 4.776 649 HD12 ILE 79 HD12 ILE 79 13.316 -2.957 5.287 650 HD13 ILE 79 HD13 ILE 79 13.610 -4.591 4.704 651 H LYS 80 H LYS 80 12.634 -4.725 -1.033 652 HA LYS 80 HA LYS 80 10.363 -4.537 -2.669 653 HB2 LYS 80 HB2 LYS 80 12.578 -5.598 -3.269 654 HB3 LYS 80 HB3 LYS 80 12.077 -7.006 -2.333 655 HG2 LYS 80 HG2 LYS 80 10.050 -7.209 -3.756 656 HG3 LYS 80 HG3 LYS 80 10.604 -5.843 -4.718 657 HD2 LYS 80 HD2 LYS 80 12.270 -8.344 -4.329 658 HD3 LYS 80 HD3 LYS 80 11.142 -8.152 -5.669 659 HE2 LYS 80 HE2 LYS 80 12.343 -6.075 -6.350 660 HE3 LYS 80 HE3 LYS 80 13.509 -6.353 -5.057 661 HZ1 LYS 80 HZ1 LYS 80 13.100 -7.850 -7.546 662 HZ2 LYS 80 HZ2 LYS 80 13.682 -8.680 -6.182 663 HZ3 LYS 80 HZ3 LYS 80 14.546 -7.358 -6.810 664 H ALA 81 H ALA 81 8.427 -5.590 -2.753 665 HA ALA 81 HA ALA 81 7.176 -6.431 -0.402 666 HB1 ALA 81 HB1 ALA 81 5.669 -5.743 -1.996 667 HB2 ALA 81 HB2 ALA 81 5.512 -7.493 -2.145 668 HB3 ALA 81 HB3 ALA 81 6.494 -6.594 -3.302 669 H ALA 82 H ALA 82 8.702 -8.307 -2.966 670 HA ALA 82 HA ALA 82 7.950 -10.894 -2.176 671 HB1 ALA 82 HB1 ALA 82 8.931 -10.779 -4.289 672 HB2 ALA 82 HB2 ALA 82 10.215 -11.490 -3.312 673 HB3 ALA 82 HB3 ALA 82 10.267 -9.777 -3.723 674 H ASN 83 H ASN 83 10.587 -8.778 -1.154 675 HA ASN 83 HA ASN 83 11.958 -10.697 0.462 676 HB2 ASN 83 HB2 ASN 83 12.971 -8.617 -0.543 677 HB3 ASN 83 HB3 ASN 83 12.105 -7.693 0.689 678 HD21 ASN 83 HD21 ASN 83 15.078 -9.097 0.081 679 HD22 ASN 83 HD22 ASN 83 15.593 -9.332 1.680 680 H ILE 84 H ILE 84 9.308 -8.458 1.049 681 HA ILE 84 HA ILE 84 9.442 -8.100 3.788 682 HB ILE 84 HB ILE 84 6.913 -8.516 2.165 683 HG12 ILE 84 HG12 ILE 84 8.366 -6.737 1.239 684 HG13 ILE 84 HG13 ILE 84 6.897 -6.046 1.909 685 HG21 ILE 84 HG21 ILE 84 6.614 -8.623 4.673 686 HG22 ILE 84 HG22 ILE 84 5.727 -7.313 3.895 687 HG23 ILE 84 HG23 ILE 84 7.224 -6.970 4.759 688 HD11 ILE 84 HD11 ILE 84 8.174 -5.439 3.977 689 HD12 ILE 84 HD12 ILE 84 8.855 -4.676 2.541 690 HD13 ILE 84 HD13 ILE 84 9.643 -6.088 3.244 691 H THR 85 H THR 85 9.070 -9.204 5.540 692 HA THR 85 HA THR 85 7.972 -11.936 5.428 693 HB THR 85 HB THR 85 10.448 -12.098 5.457 694 HG1 THR 85 HG1 THR 85 10.206 -13.690 6.755 695 HG21 THR 85 HG21 THR 85 10.999 -9.950 6.472 696 HG22 THR 85 HG22 THR 85 11.705 -11.250 7.430 697 HG23 THR 85 HG23 THR 85 10.239 -10.441 7.985 698 HA PRO 86 HA PRO 86 5.296 -10.801 8.802 699 HB2 PRO 86 HB2 PRO 86 6.594 -12.992 10.388 700 HB3 PRO 86 HB3 PRO 86 4.869 -12.603 10.212 701 HG2 PRO 86 HG2 PRO 86 5.860 -14.594 8.850 702 HG3 PRO 86 HG3 PRO 86 4.764 -13.450 8.051 703 HD2 PRO 86 HD2 PRO 86 7.723 -13.710 7.786 704 HD3 PRO 86 HD3 PRO 86 6.509 -13.261 6.557 705 H LYS 87 H LYS 87 8.659 -11.494 9.674 706 HA LYS 87 HA LYS 87 8.800 -10.104 12.124 707 HB2 LYS 87 HB2 LYS 87 10.534 -11.681 11.246 708 HB3 LYS 87 HB3 LYS 87 11.032 -10.444 10.098 709 HG2 LYS 87 HG2 LYS 87 10.894 -9.646 13.009 710 HG3 LYS 87 HG3 LYS 87 12.199 -10.717 12.522 711 HD2 LYS 87 HD2 LYS 87 12.874 -9.097 10.766 712 HD3 LYS 87 HD3 LYS 87 11.594 -8.006 11.285 713 HE2 LYS 87 HE2 LYS 87 13.655 -7.291 12.328 714 HE3 LYS 87 HE3 LYS 87 12.616 -7.983 13.574 715 HZ1 LYS 87 HZ1 LYS 87 14.043 -10.122 12.627 716 HZ2 LYS 87 HZ2 LYS 87 14.342 -9.274 14.066 717 HZ3 LYS 87 HZ3 LYS 87 15.176 -8.861 12.648 718 H MET 88 H MET 88 9.169 -9.032 8.791 719 HA MET 88 HA MET 88 10.244 -6.515 9.059 720 HB2 MET 88 HB2 MET 88 9.277 -7.929 6.976 721 HB3 MET 88 HB3 MET 88 7.933 -6.814 7.186 722 HG2 MET 88 HG2 MET 88 9.451 -5.797 5.605 723 HG3 MET 88 HG3 MET 88 9.609 -4.916 7.120 724 HE1 MET 88 HE1 MET 88 11.484 -6.976 4.399 725 HE2 MET 88 HE2 MET 88 10.705 -8.146 5.457 726 HE3 MET 88 HE3 MET 88 12.463 -8.064 5.396 727 H LYS 89 H LYS 89 9.469 -4.446 9.517 728 HA LYS 89 HA LYS 89 6.682 -4.197 10.505 729 HB2 LYS 89 HB2 LYS 89 8.721 -4.398 12.243 730 HB3 LYS 89 HB3 LYS 89 8.868 -2.681 11.876 731 HG2 LYS 89 HG2 LYS 89 6.499 -2.351 12.477 732 HG3 LYS 89 HG3 LYS 89 6.352 -4.066 12.830 733 HD2 LYS 89 HD2 LYS 89 8.124 -3.861 14.558 734 HD3 LYS 89 HD3 LYS 89 8.184 -2.122 14.264 735 HE2 LYS 89 HE2 LYS 89 5.803 -1.933 14.897 736 HE3 LYS 89 HE3 LYS 89 5.746 -3.667 15.190 737 HZ1 LYS 89 HZ1 LYS 89 7.083 -1.567 16.737 738 HZ2 LYS 89 HZ2 LYS 89 7.772 -3.121 16.716 739 HZ3 LYS 89 HZ3 LYS 89 6.183 -2.898 17.278 740 H ILE 90 H ILE 90 5.606 -2.466 9.750 741 HA ILE 90 HA ILE 90 7.148 -0.365 8.335 742 HB ILE 90 HB ILE 90 4.449 -1.493 7.511 743 HG12 ILE 90 HG12 ILE 90 5.996 -2.172 5.438 744 HG13 ILE 90 HG13 ILE 90 7.295 -2.065 6.622 745 HG21 ILE 90 HG21 ILE 90 6.186 0.740 6.461 746 HG22 ILE 90 HG22 ILE 90 4.444 0.712 6.716 747 HG23 ILE 90 HG23 ILE 90 5.145 -0.151 5.350 748 HD11 ILE 90 HD11 ILE 90 4.822 -3.654 7.294 749 HD12 ILE 90 HD12 ILE 90 6.477 -3.863 7.873 750 HD13 ILE 90 HD13 ILE 90 6.049 -4.352 6.237 751 H LEU 91 H LEU 91 6.694 1.719 8.715 752 HA LEU 91 HA LEU 91 4.944 2.471 10.880 753 HB2 LEU 91 HB2 LEU 91 5.614 4.776 10.333 754 HB3 LEU 91 HB3 LEU 91 6.987 3.721 10.607 755 HG LEU 91 HG LEU 91 6.124 3.817 7.734 756 HD11 LEU 91 HD11 LEU 91 7.351 6.301 8.950 757 HD12 LEU 91 HD12 LEU 91 5.678 6.166 8.408 758 HD13 LEU 91 HD13 LEU 91 6.995 6.022 7.245 759 HD21 LEU 91 HD21 LEU 91 8.854 4.485 8.873 760 HD22 LEU 91 HD22 LEU 91 8.460 3.765 7.313 761 HD23 LEU 91 HD23 LEU 91 8.285 2.818 8.787 762 H SER 92 H SER 92 2.957 3.292 10.835 763 HA SER 92 HA SER 92 1.725 3.890 8.221 764 HB2 SER 92 HB2 SER 92 0.526 2.292 10.503 765 HB3 SER 92 HB3 SER 92 -0.401 2.903 9.137 766 HG SER 92 HG SER 92 0.257 1.154 8.182 767 HA PRO 93 HA PRO 93 0.474 7.688 10.286 768 HB2 PRO 93 HB2 PRO 93 -1.512 8.561 8.701 769 HB3 PRO 93 HB3 PRO 93 0.173 8.512 8.138 770 HG2 PRO 93 HG2 PRO 93 -2.035 6.566 7.628 771 HG3 PRO 93 HG3 PRO 93 -0.873 7.263 6.484 772 HD2 PRO 93 HD2 PRO 93 -0.540 4.781 7.540 773 HD3 PRO 93 HD3 PRO 93 0.839 5.832 7.126 774 H GLU 94 H GLU 94 -1.144 8.535 11.683 775 HA GLU 94 HA GLU 94 -3.518 6.828 12.130 776 HB2 GLU 94 HB2 GLU 94 -1.835 8.235 14.216 777 HB3 GLU 94 HB3 GLU 94 -3.348 7.391 14.538 778 HG2 GLU 94 HG2 GLU 94 -0.860 6.109 13.356 779 HG3 GLU 94 HG3 GLU 94 -1.364 5.968 15.037 780 H ILE 95 H ILE 95 -5.415 7.847 12.194 781 HA ILE 95 HA ILE 95 -5.441 10.710 11.648 782 HB ILE 95 HB ILE 95 -7.714 8.683 11.583 783 HG12 ILE 95 HG12 ILE 95 -6.260 9.997 9.255 784 HG13 ILE 95 HG13 ILE 95 -5.800 8.419 9.889 785 HG21 ILE 95 HG21 ILE 95 -8.884 10.484 10.271 786 HG22 ILE 95 HG22 ILE 95 -7.557 11.580 10.651 787 HG23 ILE 95 HG23 ILE 95 -8.579 10.951 11.945 788 HD11 ILE 95 HD11 ILE 95 -7.284 8.006 8.042 789 HD12 ILE 95 HD12 ILE 95 -8.444 9.198 8.628 790 HD13 ILE 95 HD13 ILE 95 -8.210 7.693 9.511 791 H ASP 96 H ASP 96 -5.742 12.144 13.152 792 HA ASP 96 HA ASP 96 -7.673 11.947 15.237 793 HB2 ASP 96 HB2 ASP 96 -6.056 12.038 17.149 794 HB3 ASP 96 HB3 ASP 96 -5.983 10.513 16.279 795 H ALA 97 H ALA 97 -6.389 13.921 16.989 796 HA ALA 97 HA ALA 97 -7.016 16.316 15.646 797 HB1 ALA 97 HB1 ALA 97 -6.301 17.429 17.582 798 HB2 ALA 97 HB2 ALA 97 -5.062 16.224 17.932 799 HB3 ALA 97 HB3 ALA 97 -6.764 15.842 18.196 800 H ALA 98 H ALA 98 -3.964 14.600 16.139 801 HA ALA 98 HA ALA 98 -2.768 16.156 13.953 802 HB1 ALA 98 HB1 ALA 98 -1.715 17.218 15.773 803 HB2 ALA 98 HB2 ALA 98 -0.563 15.971 15.294 804 HB3 ALA 98 HB3 ALA 98 -1.602 15.719 16.696 805 H VAL 99 H VAL 99 -1.857 14.849 12.457 806 HA VAL 99 HA VAL 99 -2.145 12.095 12.424 807 HB VAL 99 HB VAL 99 -1.651 13.477 10.426 808 HG11 VAL 99 HG11 VAL 99 0.130 14.868 11.538 809 HG12 VAL 99 HG12 VAL 99 0.575 14.270 9.939 810 HG13 VAL 99 HG13 VAL 99 1.222 13.492 11.383 811 HG21 VAL 99 HG21 VAL 99 -1.319 11.058 10.259 812 HG22 VAL 99 HG22 VAL 99 0.306 11.205 10.930 813 HG23 VAL 99 HG23 VAL 99 -0.056 11.879 9.341 814 H LYS 100 H LYS 100 -1.095 10.383 13.257 815 HA LYS 100 HA LYS 100 1.536 10.824 14.555 816 HB2 LYS 100 HB2 LYS 100 -0.301 10.799 16.240 817 HB3 LYS 100 HB3 LYS 100 -0.729 9.178 15.712 818 HG2 LYS 100 HG2 LYS 100 1.507 8.354 16.326 819 HG3 LYS 100 HG3 LYS 100 1.981 9.978 16.825 820 HD2 LYS 100 HD2 LYS 100 0.234 9.979 18.551 821 HD3 LYS 100 HD3 LYS 100 -0.286 8.373 18.042 822 HE2 LYS 100 HE2 LYS 100 1.174 8.177 19.997 823 HE3 LYS 100 HE3 LYS 100 1.978 7.492 18.585 824 HZ1 LYS 100 HZ1 LYS 100 3.468 9.188 18.491 825 HZ2 LYS 100 HZ2 LYS 100 3.177 9.199 20.165 826 HZ3 LYS 100 HZ3 LYS 100 2.406 10.329 19.156 827 H THR 101 H THR 101 3.051 9.365 14.097 828 HA THR 101 HA THR 101 2.449 7.221 12.245 829 HB THR 101 HB THR 101 4.475 8.575 11.920 830 HG1 THR 101 HG1 THR 101 4.942 6.713 11.063 831 HG21 THR 101 HG21 THR 101 5.693 7.275 14.350 832 HG22 THR 101 HG22 THR 101 4.837 8.807 14.496 833 HG23 THR 101 HG23 THR 101 6.254 8.685 13.455 834 H ALA 102 H ALA 102 2.532 5.049 12.597 835 HA ALA 102 HA ALA 102 3.401 3.995 15.175 836 HB1 ALA 102 HB1 ALA 102 0.557 3.846 14.184 837 HB2 ALA 102 HB2 ALA 102 1.141 4.332 15.775 838 HB3 ALA 102 HB3 ALA 102 1.216 2.639 15.287 839 H LEU 103 H LEU 103 4.501 2.185 14.858 840 HA LEU 103 HA LEU 103 4.662 1.029 12.231 841 HB2 LEU 103 HB2 LEU 103 5.992 0.154 14.800 842 HB3 LEU 103 HB3 LEU 103 6.349 -0.451 13.193 843 HG LEU 103 HG LEU 103 6.745 2.087 12.586 844 HD11 LEU 103 HD11 LEU 103 7.820 3.190 14.716 845 HD12 LEU 103 HD12 LEU 103 6.779 2.082 15.604 846 HD13 LEU 103 HD13 LEU 103 6.076 3.262 14.501 847 HD21 LEU 103 HD21 LEU 103 8.522 0.391 12.556 848 HD22 LEU 103 HD22 LEU 103 8.683 0.492 14.309 849 HD23 LEU 103 HD23 LEU 103 9.131 1.869 13.303 850 H GLN 104 H GLN 104 4.169 -1.022 11.551 851 HA GLN 104 HA GLN 104 2.255 -2.495 13.246 852 HB2 GLN 104 HB2 GLN 104 0.935 -3.003 11.278 853 HB3 GLN 104 HB3 GLN 104 1.189 -1.263 11.305 854 HG2 GLN 104 HG2 GLN 104 3.353 -2.040 9.801 855 HG3 GLN 104 HG3 GLN 104 2.194 -3.296 9.384 856 HE21 GLN 104 HE21 GLN 104 -0.235 -1.873 9.318 857 HE22 GLN 104 HE22 GLN 104 -0.151 -0.671 8.121 858 H ASP 105 H ASP 105 2.325 -4.763 13.124 859 HA ASP 105 HA ASP 105 4.896 -5.820 12.162 860 HB2 ASP 105 HB2 ASP 105 2.921 -7.022 14.109 861 HB3 ASP 105 HB3 ASP 105 4.498 -7.686 13.688 862 H VAL 106 H VAL 106 4.993 -7.105 10.472 863 HA VAL 106 HA VAL 106 2.646 -7.792 8.993 864 HB VAL 106 HB VAL 106 5.525 -8.724 8.631 865 HG11 VAL 106 HG11 VAL 106 3.282 -8.699 6.586 866 HG12 VAL 106 HG12 VAL 106 3.713 -10.133 7.521 867 HG13 VAL 106 HG13 VAL 106 4.885 -9.416 6.416 868 HG21 VAL 106 HG21 VAL 106 5.226 -6.256 8.466 869 HG22 VAL 106 HG22 VAL 106 3.965 -6.502 7.258 870 HG23 VAL 106 HG23 VAL 106 5.628 -6.967 6.904 871 H GLU 107 H GLU 107 1.402 -9.562 9.189 872 HA GLU 107 HA GLU 107 2.169 -11.635 11.093 873 HB2 GLU 107 HB2 GLU 107 -0.394 -10.945 9.656 874 HB3 GLU 107 HB3 GLU 107 -0.201 -12.483 10.503 875 HG2 GLU 107 HG2 GLU 107 0.266 -9.777 11.792 876 HG3 GLU 107 HG3 GLU 107 -1.251 -10.672 11.905 877 H SER 108 H SER 108 1.349 -11.275 7.667 878 HA SER 108 HA SER 108 3.140 -13.231 6.757 879 HB2 SER 108 HB2 SER 108 1.181 -14.803 5.914 880 HB3 SER 108 HB3 SER 108 1.956 -15.054 7.480 881 HG SER 108 HG SER 108 0.211 -14.140 8.454 882 H ILE 109 H ILE 109 2.968 -13.663 4.471 883 HA ILE 109 HA ILE 109 1.354 -11.652 3.018 884 HB ILE 109 HB ILE 109 4.024 -12.867 2.197 885 HG12 ILE 109 HG12 ILE 109 3.403 -9.974 2.887 886 HG13 ILE 109 HG13 ILE 109 4.000 -11.109 4.095 887 HG21 ILE 109 HG21 ILE 109 2.705 -12.392 0.224 888 HG22 ILE 109 HG22 ILE 109 3.865 -11.074 0.398 889 HG23 ILE 109 HG23 ILE 109 2.186 -10.838 0.879 890 HD11 ILE 109 HD11 ILE 109 5.394 -10.098 1.613 891 HD12 ILE 109 HD12 ILE 109 5.916 -11.582 2.410 892 HD13 ILE 109 HD13 ILE 109 5.957 -10.052 3.282 893 H GLU 110 H GLU 110 -0.264 -12.555 1.810 894 HA GLU 110 HA GLU 110 0.018 -15.426 1.059 895 HB2 GLU 110 HB2 GLU 110 -2.429 -13.845 1.843 896 HB3 GLU 110 HB3 GLU 110 -2.503 -15.449 1.113 897 HG2 GLU 110 HG2 GLU 110 -1.253 -16.419 2.944 898 HG3 GLU 110 HG3 GLU 110 -0.926 -14.833 3.628 899 H LYS 111 H LYS 111 0.221 -15.814 -1.030 900 HA LYS 111 HA LYS 111 -0.228 -13.857 -3.056 901 HB2 LYS 111 HB2 LYS 111 0.252 -16.838 -3.197 902 HB3 LYS 111 HB3 LYS 111 0.118 -15.803 -4.620 903 HG2 LYS 111 HG2 LYS 111 1.975 -14.390 -3.712 904 HG3 LYS 111 HG3 LYS 111 2.165 -15.545 -2.394 905 HD2 LYS 111 HD2 LYS 111 2.329 -16.347 -5.314 906 HD3 LYS 111 HD3 LYS 111 3.743 -15.878 -4.375 907 HE2 LYS 111 HE2 LYS 111 3.220 -17.685 -2.734 908 HE3 LYS 111 HE3 LYS 111 1.866 -18.182 -3.749 909 HZ1 LYS 111 HZ1 LYS 111 4.049 -19.401 -4.063 910 HZ2 LYS 111 HZ2 LYS 111 4.622 -17.982 -4.805 911 HZ3 LYS 111 HZ3 LYS 111 3.297 -18.817 -5.466 912 H LEU 112 H LEU 112 -1.885 -13.605 -4.493 913 HA LEU 112 HA LEU 112 -4.323 -15.230 -4.033 914 HB2 LEU 112 HB2 LEU 112 -3.948 -12.269 -4.269 915 HB3 LEU 112 HB3 LEU 112 -5.385 -12.958 -5.019 916 HG LEU 112 HG LEU 112 -5.793 -14.144 -2.769 917 HD11 LEU 112 HD11 LEU 112 -4.765 -12.847 -0.826 918 HD12 LEU 112 HD12 LEU 112 -3.639 -12.163 -2.000 919 HD13 LEU 112 HD13 LEU 112 -3.664 -13.902 -1.711 920 HD21 LEU 112 HD21 LEU 112 -5.899 -11.110 -2.934 921 HD22 LEU 112 HD22 LEU 112 -6.797 -12.082 -1.769 922 HD23 LEU 112 HD23 LEU 112 -7.142 -12.229 -3.492 923 H GLY 113 H GLY 113 -2.259 -13.560 -6.328 924 HA2 GLY 113 HA2 GLY 113 -1.744 -14.421 -8.441 925 HA3 GLY 113 HA3 GLY 113 -3.248 -15.307 -8.432 926 H VAL 114 H VAL 114 -3.776 -14.588 -10.499 927 HA VAL 114 HA VAL 114 -3.710 -11.966 -11.420 928 HB VAL 114 HB VAL 114 -5.612 -14.196 -12.239 929 HG11 VAL 114 HG11 VAL 114 -6.201 -11.820 -13.011 930 HG12 VAL 114 HG12 VAL 114 -5.975 -13.015 -14.285 931 HG13 VAL 114 HG13 VAL 114 -4.694 -11.857 -13.929 932 HG21 VAL 114 HG21 VAL 114 -3.161 -14.740 -12.372 933 HG22 VAL 114 HG22 VAL 114 -2.950 -13.354 -13.440 934 HG23 VAL 114 HG23 VAL 114 -3.948 -14.716 -13.949 935 H ASN 115 H ASN 115 -4.730 -10.234 -10.821 936 HA ASN 115 HA ASN 115 -7.548 -10.311 -10.024 937 HB2 ASN 115 HB2 ASN 115 -5.310 -9.165 -8.357 938 HB3 ASN 115 HB3 ASN 115 -6.974 -8.631 -8.193 939 HD21 ASN 115 HD21 ASN 115 -5.618 -9.906 -6.033 940 HD22 ASN 115 HD22 ASN 115 -6.329 -11.429 -5.758 941 H HIS 116 H HIS 116 -8.552 -8.191 -10.076 942 HA HIS 116 HA HIS 116 -7.623 -6.565 -12.268 943 HB2 HIS 116 HB2 HIS 116 -9.850 -6.124 -10.251 944 HB3 HIS 116 HB3 HIS 116 -9.559 -5.109 -11.663 945 HD2 HIS 116 HD2 HIS 116 -11.504 -8.274 -10.787 946 HE1 HIS 116 HE1 HIS 116 -11.114 -8.292 -14.990 947 HE2 HIS 116 HE2 HIS 116 -12.294 -9.372 -13.019 948 H VAL 117 H VAL 117 -6.298 -4.861 -12.128 949 HA VAL 117 HA VAL 117 -5.662 -3.795 -9.444 950 HB VAL 117 HB VAL 117 -3.319 -3.331 -10.520 951 HG11 VAL 117 HG11 VAL 117 -4.344 -5.957 -9.475 952 HG12 VAL 117 HG12 VAL 117 -3.345 -4.737 -8.679 953 HG13 VAL 117 HG13 VAL 117 -2.640 -5.773 -9.919 954 HG21 VAL 117 HG21 VAL 117 -2.638 -4.689 -12.327 955 HG22 VAL 117 HG22 VAL 117 -4.264 -4.222 -12.800 956 HG23 VAL 117 HG23 VAL 117 -3.977 -5.821 -12.111 957 H TYR 118 H TYR 118 -5.375 -1.714 -9.139 958 HA TYR 118 HA TYR 118 -5.296 0.143 -11.380 959 HB2 TYR 118 HB2 TYR 118 -7.358 0.540 -9.178 960 HB3 TYR 118 HB3 TYR 118 -7.139 1.459 -10.661 961 HD1 TYR 118 HD1 TYR 118 -8.601 -1.489 -9.179 962 HD2 TYR 118 HD2 TYR 118 -7.707 0.417 -12.875 963 HE1 TYR 118 HE1 TYR 118 -10.195 -3.012 -10.326 964 HE2 TYR 118 HE2 TYR 118 -9.291 -1.085 -14.056 965 HH TYR 118 HH TYR 118 -11.500 -3.103 -12.355 966 H ASP 119 H ASP 119 -4.365 2.178 -10.735 967 HA ASP 119 HA ASP 119 -3.764 2.657 -7.952 968 HB2 ASP 119 HB2 ASP 119 -2.070 0.897 -8.823 969 HB3 ASP 119 HB3 ASP 119 -1.361 2.247 -9.719 970 H ILE 120 H ILE 120 -2.603 4.720 -7.644 971 HA ILE 120 HA ILE 120 -2.725 6.441 -10.035 972 HB ILE 120 HB ILE 120 -4.763 6.806 -8.796 973 HG12 ILE 120 HG12 ILE 120 -3.353 9.347 -8.036 974 HG13 ILE 120 HG13 ILE 120 -3.071 8.837 -9.683 975 HG21 ILE 120 HG21 ILE 120 -4.245 6.155 -6.578 976 HG22 ILE 120 HG22 ILE 120 -4.561 7.888 -6.474 977 HG23 ILE 120 HG23 ILE 120 -2.901 7.293 -6.471 978 HD11 ILE 120 HD11 ILE 120 -5.062 10.337 -9.445 979 HD12 ILE 120 HD12 ILE 120 -5.828 9.093 -8.456 980 HD13 ILE 120 HD13 ILE 120 -5.455 8.768 -10.145 981 H GLU 121 H GLU 121 -1.295 7.973 -10.269 982 HA GLU 121 HA GLU 121 1.130 7.846 -8.651 983 HB2 GLU 121 HB2 GLU 121 0.563 9.169 -11.316 984 HB3 GLU 121 HB3 GLU 121 2.150 8.983 -10.573 985 HG2 GLU 121 HG2 GLU 121 0.424 6.551 -11.110 986 HG3 GLU 121 HG3 GLU 121 1.395 7.219 -12.398 987 H VAL 122 H VAL 122 2.241 9.745 -7.985 988 HA VAL 122 HA VAL 122 0.485 12.099 -7.679 989 HB VAL 122 HB VAL 122 1.359 12.469 -5.426 990 HG11 VAL 122 HG11 VAL 122 0.069 9.779 -5.936 991 HG12 VAL 122 HG12 VAL 122 -0.740 11.307 -5.587 992 HG13 VAL 122 HG13 VAL 122 0.207 10.505 -4.334 993 HG21 VAL 122 HG21 VAL 122 2.805 10.989 -4.330 994 HG22 VAL 122 HG22 VAL 122 3.494 11.080 -5.939 995 HG23 VAL 122 HG23 VAL 122 2.526 9.678 -5.477 996 H GLU 123 H GLU 123 1.650 14.085 -7.162 997 HA GLU 123 HA GLU 123 3.848 14.283 -9.055 998 HB2 GLU 123 HB2 GLU 123 3.490 16.911 -8.384 999 HB3 GLU 123 HB3 GLU 123 2.633 16.080 -9.664 1000 HG2 GLU 123 HG2 GLU 123 0.655 15.969 -8.457 1001 HG3 GLU 123 HG3 GLU 123 1.461 15.961 -6.895 1002 H HIS 124 H HIS 124 3.558 16.019 -5.924 1003 HA HIS 124 HA HIS 124 6.185 16.871 -5.948 1004 HB2 HIS 124 HB2 HIS 124 4.348 17.823 -4.554 1005 HB3 HIS 124 HB3 HIS 124 4.576 16.479 -3.434 1006 HD2 HIS 124 HD2 HIS 124 6.251 19.874 -4.308 1007 HE1 HIS 124 HE1 HIS 124 8.671 17.995 -1.403 1008 HE2 HIS 124 HE2 HIS 124 8.269 20.156 -2.676 1009 H ASN 125 H ASN 125 5.045 14.044 -3.954 1010 HA ASN 125 HA ASN 125 7.904 13.455 -3.454 1011 HB2 ASN 125 HB2 ASN 125 6.515 13.803 -1.458 1012 HB3 ASN 125 HB3 ASN 125 5.500 12.434 -1.932 1013 HD21 ASN 125 HD21 ASN 125 8.799 13.331 -0.889 1014 HD22 ASN 125 HD22 ASN 125 9.236 11.771 -0.380 1015 H HIS 126 H HIS 126 5.530 12.368 -5.514 1016 HA HIS 126 HA HIS 126 5.261 10.445 -6.774 1017 HB2 HIS 126 HB2 HIS 126 8.198 10.170 -6.075 1018 HB3 HIS 126 HB3 HIS 126 7.367 9.226 -7.309 1019 HD2 HIS 126 HD2 HIS 126 6.939 10.575 -9.734 1020 HE1 HIS 126 HE1 HIS 126 8.549 14.291 -8.543 1021 HE2 HIS 126 HE2 HIS 126 7.662 12.958 -10.515 1022 H ASN 127 H ASN 127 4.565 10.260 -3.968 1023 HA ASN 127 HA ASN 127 4.798 7.349 -3.584 1024 HB2 ASN 127 HB2 ASN 127 6.504 8.337 -2.144 1025 HB3 ASN 127 HB3 ASN 127 5.318 9.443 -1.467 1026 HD21 ASN 127 HD21 ASN 127 6.601 6.219 -1.261 1027 HD22 ASN 127 HD22 ASN 127 5.560 5.675 -0.036 1028 H PHE 128 H PHE 128 3.142 6.410 -2.278 1029 HA PHE 128 HA PHE 128 1.022 8.079 -1.263 1030 HB2 PHE 128 HB2 PHE 128 -0.820 7.052 -2.481 1031 HB3 PHE 128 HB3 PHE 128 0.295 7.799 -3.620 1032 HD1 PHE 128 HD1 PHE 128 -0.987 4.610 -2.291 1033 HD2 PHE 128 HD2 PHE 128 1.682 6.434 -5.116 1034 HE1 PHE 128 HE1 PHE 128 -0.745 2.438 -3.460 1035 HE2 PHE 128 HE2 PHE 128 1.922 4.256 -6.286 1036 HZ PHE 128 HZ PHE 128 0.712 2.262 -5.458 1037 H VAL 129 H VAL 129 -0.561 6.844 0.004 1038 HA VAL 129 HA VAL 129 0.646 4.367 1.104 1039 HB VAL 129 HB VAL 129 -1.057 6.443 2.526 1040 HG11 VAL 129 HG11 VAL 129 -0.780 5.181 4.523 1041 HG12 VAL 129 HG12 VAL 129 0.497 4.189 3.825 1042 HG13 VAL 129 HG13 VAL 129 -1.168 3.968 3.305 1043 HG21 VAL 129 HG21 VAL 129 1.382 7.049 1.898 1044 HG22 VAL 129 HG22 VAL 129 1.858 5.816 3.065 1045 HG23 VAL 129 HG23 VAL 129 0.928 7.216 3.593 1046 H ALA 130 H ALA 130 -0.529 2.560 0.891 1047 HA ALA 130 HA ALA 130 -3.433 2.832 0.376 1048 HB1 ALA 130 HB1 ALA 130 -2.046 2.007 -1.551 1049 HB2 ALA 130 HB2 ALA 130 -3.356 0.938 -1.046 1050 HB3 ALA 130 HB3 ALA 130 -1.691 0.571 -0.585 1051 H ASN 131 H ASN 131 -4.791 1.872 1.702 1052 HA ASN 131 HA ASN 131 -5.629 0.685 3.456 1053 HB2 ASN 131 HB2 ASN 131 -3.716 -1.176 2.143 1054 HB3 ASN 131 HB3 ASN 131 -4.305 -1.639 3.737 1055 HD21 ASN 131 HD21 ASN 131 -6.237 -2.785 3.714 1056 HD22 ASN 131 HD22 ASN 131 -7.381 -2.730 2.464 1057 H GLY 132 H GLY 132 -3.403 2.582 3.959 1058 HA2 GLY 132 HA2 GLY 132 -2.424 3.363 5.928 1059 HA3 GLY 132 HA3 GLY 132 -2.798 1.826 6.695 1060 H LEU 133 H LEU 133 -1.294 1.107 3.793 1061 HA LEU 133 HA LEU 133 1.322 0.777 5.111 1062 HB2 LEU 133 HB2 LEU 133 0.256 -1.323 4.342 1063 HB3 LEU 133 HB3 LEU 133 0.155 -0.699 2.704 1064 HG LEU 133 HG LEU 133 2.674 -0.495 2.702 1065 HD11 LEU 133 HD11 LEU 133 3.054 -0.410 5.124 1066 HD12 LEU 133 HD12 LEU 133 3.912 -1.786 4.432 1067 HD13 LEU 133 HD13 LEU 133 2.400 -2.037 5.302 1068 HD21 LEU 133 HD21 LEU 133 1.350 -2.489 1.814 1069 HD22 LEU 133 HD22 LEU 133 1.739 -3.308 3.326 1070 HD23 LEU 133 HD23 LEU 133 3.031 -2.822 2.230 1071 H LEU 134 H LEU 134 2.905 2.101 4.518 1072 HA LEU 134 HA LEU 134 2.607 3.980 2.389 1073 HB2 LEU 134 HB2 LEU 134 3.791 4.644 4.402 1074 HB3 LEU 134 HB3 LEU 134 4.946 3.335 4.219 1075 HG LEU 134 HG LEU 134 5.792 4.401 2.122 1076 HD11 LEU 134 HD11 LEU 134 3.858 5.614 1.371 1077 HD12 LEU 134 HD12 LEU 134 5.121 6.791 1.730 1078 HD13 LEU 134 HD13 LEU 134 3.796 6.550 2.868 1079 HD21 LEU 134 HD21 LEU 134 7.011 6.171 3.226 1080 HD22 LEU 134 HD22 LEU 134 6.738 4.899 4.416 1081 HD23 LEU 134 HD23 LEU 134 5.745 6.350 4.439 1082 H VAL 135 H VAL 135 3.050 3.766 0.326 1083 HA VAL 135 HA VAL 135 4.980 1.699 -0.545 1084 HB VAL 135 HB VAL 135 2.335 2.420 -1.858 1085 HG11 VAL 135 HG11 VAL 135 3.974 1.836 -3.557 1086 HG12 VAL 135 HG12 VAL 135 2.855 0.488 -3.355 1087 HG13 VAL 135 HG13 VAL 135 4.467 0.411 -2.642 1088 HG21 VAL 135 HG21 VAL 135 3.172 -0.228 -0.644 1089 HG22 VAL 135 HG22 VAL 135 1.558 0.264 -1.153 1090 HG23 VAL 135 HG23 VAL 135 2.295 0.996 0.272 1091 H HIS 136 H HIS 136 6.489 2.297 -1.934 1092 HA HIS 136 HA HIS 136 6.696 5.063 -2.825 1093 HB2 HIS 136 HB2 HIS 136 8.704 3.891 -1.941 1094 HB3 HIS 136 HB3 HIS 136 8.577 2.704 -3.227 1095 HD2 HIS 136 HD2 HIS 136 9.957 3.453 -5.525 1096 HE1 HIS 136 HE1 HIS 136 10.420 7.552 -4.628 1097 HE2 HIS 136 HE2 HIS 136 11.010 5.719 -6.283 1098 H ASN 137 H ASN 137 6.319 5.787 -4.862 1099 HA ASN 137 HA ASN 137 6.434 4.155 -7.193 1100 HB2 ASN 137 HB2 ASN 137 4.213 3.497 -6.021 1101 HB3 ASN 137 HB3 ASN 137 3.642 5.066 -6.587 1102 HD21 ASN 137 HD21 ASN 137 2.207 4.293 -8.235 1103 HD22 ASN 137 HD22 ASN 137 2.754 3.443 -9.600 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 3.989 -0.199 -5.812 2 H2 GLU 1 HT2 GLU 1 2.458 -0.936 -5.881 3 H3 GLU 1 HT3 GLU 1 2.591 0.740 -5.628 4 HA GLU 1 HA GLU 1 3.245 1.168 -7.803 5 HB2 GLU 1 HB2 GLU 1 4.909 -0.727 -7.836 6 HB3 GLU 1 HB3 GLU 1 3.575 -1.826 -8.190 7 HG2 GLU 1 HG2 GLU 1 4.647 -1.191 -10.291 8 HG3 GLU 1 HG3 GLU 1 3.043 -0.471 -10.223 9 H ALA 2 H ALA 2 1.506 -1.927 -7.282 10 HA ALA 2 HA ALA 2 -0.863 -0.725 -8.561 11 HB1 ALA 2 HB1 ALA 2 -1.021 -2.297 -10.164 12 HB2 ALA 2 HB2 ALA 2 -0.551 -3.605 -9.077 13 HB3 ALA 2 HB3 ALA 2 0.681 -2.599 -9.834 14 H LEU 3 H LEU 3 -2.723 -1.032 -7.517 15 HA LEU 3 HA LEU 3 -2.771 -2.906 -5.218 16 HB2 LEU 3 HB2 LEU 3 -3.938 -0.167 -5.668 17 HB3 LEU 3 HB3 LEU 3 -4.784 -1.278 -4.599 18 HG LEU 3 HG LEU 3 -3.265 0.198 -3.319 19 HD11 LEU 3 HD11 LEU 3 -2.305 -1.431 -1.924 20 HD12 LEU 3 HD12 LEU 3 -2.031 -2.541 -3.267 21 HD13 LEU 3 HD13 LEU 3 -3.668 -2.251 -2.687 22 HD21 LEU 3 HD21 LEU 3 -0.931 0.345 -3.674 23 HD22 LEU 3 HD22 LEU 3 -1.587 0.331 -5.312 24 HD23 LEU 3 HD23 LEU 3 -0.889 -1.138 -4.631 25 H THR 4 H THR 4 -4.512 -4.360 -5.056 26 HA THR 4 HA THR 4 -5.865 -5.045 -7.461 27 HB THR 4 HB THR 4 -7.220 -6.567 -6.091 28 HG1 THR 4 HG1 THR 4 -7.654 -5.943 -4.154 29 HG21 THR 4 HG21 THR 4 -4.433 -6.562 -4.930 30 HG22 THR 4 HG22 THR 4 -4.741 -7.008 -6.608 31 HG23 THR 4 HG23 THR 4 -5.461 -7.946 -5.299 32 H GLY 5 H GLY 5 -8.193 -4.949 -7.886 33 HA2 GLY 5 HA2 GLY 5 -9.198 -2.351 -7.793 34 HA3 GLY 5 HA3 GLY 5 -10.156 -3.777 -8.176 35 H ASP 6 H ASP 6 -9.924 -5.118 -5.717 36 HA ASP 6 HA ASP 6 -11.976 -3.825 -4.201 37 HB2 ASP 6 HB2 ASP 6 -10.304 -6.270 -3.628 38 HB3 ASP 6 HB3 ASP 6 -11.614 -5.707 -2.585 39 H ALA 7 H ALA 7 -8.502 -3.782 -4.014 40 HA ALA 7 HA ALA 7 -8.118 -3.189 -1.298 41 HB1 ALA 7 HB1 ALA 7 -6.221 -3.762 -2.660 42 HB2 ALA 7 HB2 ALA 7 -5.982 -2.129 -2.044 43 HB3 ALA 7 HB3 ALA 7 -6.490 -2.370 -3.706 44 H LEU 8 H LEU 8 -7.550 -1.174 -0.289 45 HA LEU 8 HA LEU 8 -8.900 1.171 -1.477 46 HB2 LEU 8 HB2 LEU 8 -9.616 1.819 0.840 47 HB3 LEU 8 HB3 LEU 8 -10.384 0.371 0.209 48 HG LEU 8 HG LEU 8 -8.281 -0.827 1.473 49 HD11 LEU 8 HD11 LEU 8 -8.784 1.723 3.015 50 HD12 LEU 8 HD12 LEU 8 -7.263 1.214 2.286 51 HD13 LEU 8 HD13 LEU 8 -7.926 0.323 3.653 52 HD21 LEU 8 HD21 LEU 8 -10.844 0.127 2.799 53 HD22 LEU 8 HD22 LEU 8 -9.786 -1.121 3.459 54 HD23 LEU 8 HD23 LEU 8 -10.613 -1.388 1.925 55 H ILE 9 H ILE 9 -8.030 3.166 -1.137 56 HA ILE 9 HA ILE 9 -5.345 3.268 0.086 57 HB ILE 9 HB ILE 9 -6.240 4.706 -2.439 58 HG12 ILE 9 HG12 ILE 9 -4.178 2.483 -2.151 59 HG13 ILE 9 HG13 ILE 9 -5.847 2.186 -2.620 60 HG21 ILE 9 HG21 ILE 9 -4.563 5.939 -1.031 61 HG22 ILE 9 HG22 ILE 9 -3.902 5.448 -2.591 62 HG23 ILE 9 HG23 ILE 9 -3.491 4.541 -1.136 63 HD11 ILE 9 HD11 ILE 9 -4.047 4.119 -4.111 64 HD12 ILE 9 HD12 ILE 9 -5.613 3.496 -4.628 65 HD13 ILE 9 HD13 ILE 9 -4.216 2.424 -4.564 66 H LEU 10 H LEU 10 -4.796 5.099 1.219 67 HA LEU 10 HA LEU 10 -6.895 6.602 2.407 68 HB2 LEU 10 HB2 LEU 10 -3.891 6.890 2.433 69 HB3 LEU 10 HB3 LEU 10 -4.963 7.979 3.307 70 HG LEU 10 HG LEU 10 -5.081 4.973 3.659 71 HD11 LEU 10 HD11 LEU 10 -2.811 6.012 4.240 72 HD12 LEU 10 HD12 LEU 10 -3.624 5.161 5.551 73 HD13 LEU 10 HD13 LEU 10 -3.658 6.924 5.491 74 HD21 LEU 10 HD21 LEU 10 -6.283 7.399 5.028 75 HD22 LEU 10 HD22 LEU 10 -6.020 5.937 5.965 76 HD23 LEU 10 HD23 LEU 10 -7.062 5.894 4.548 77 H SER 11 H SER 11 -7.679 8.573 1.970 78 HA SER 11 HA SER 11 -6.392 10.281 -0.016 79 HB2 SER 11 HB2 SER 11 -8.577 10.691 -1.095 80 HB3 SER 11 HB3 SER 11 -8.013 9.049 -1.319 81 HG SER 11 HG SER 11 -9.717 9.793 0.832 82 H ASP 12 H ASP 12 -7.818 12.441 -0.113 83 HA ASP 12 HA ASP 12 -7.316 13.746 2.220 84 HB2 ASP 12 HB2 ASP 12 -8.432 15.644 1.378 85 HB3 ASP 12 HB3 ASP 12 -7.950 14.754 -0.063 86 H ARG 13 H ARG 13 -10.417 12.139 1.435 87 HA ARG 13 HA ARG 13 -11.535 12.997 3.970 88 HB2 ARG 13 HB2 ARG 13 -13.584 11.983 3.385 89 HB3 ARG 13 HB3 ARG 13 -12.967 12.695 1.910 90 HG2 ARG 13 HG2 ARG 13 -12.876 10.689 0.837 91 HG3 ARG 13 HG3 ARG 13 -12.048 9.893 2.174 92 HD2 ARG 13 HD2 ARG 13 -15.019 10.496 2.170 93 HD3 ARG 13 HD3 ARG 13 -14.352 8.982 1.567 94 HE ARG 13 HE ARG 13 -13.263 9.216 4.071 95 HH11 ARG 13 HH11 ARG 13 -16.562 9.299 2.867 96 HH12 ARG 13 HH12 ARG 13 -17.241 8.663 4.329 97 HH21 ARG 13 HH21 ARG 13 -14.192 8.395 5.964 98 HH22 ARG 13 HH22 ARG 13 -15.904 8.156 6.070 99 H GLY 14 H GLY 14 -9.827 10.154 2.848 100 HA2 GLY 14 HA2 GLY 14 -8.809 9.073 5.000 101 HA3 GLY 14 HA3 GLY 14 -10.493 8.704 5.342 102 H TRP 15 H TRP 15 -9.955 6.443 5.336 103 HA TRP 15 HA TRP 15 -8.792 5.077 3.117 104 HB2 TRP 15 HB2 TRP 15 -10.400 4.228 5.517 105 HB3 TRP 15 HB3 TRP 15 -10.079 3.070 4.234 106 HD1 TRP 15 HD1 TRP 15 -7.291 3.034 3.532 107 HE1 TRP 15 HE1 TRP 15 -5.333 2.812 5.182 108 HE3 TRP 15 HE3 TRP 15 -9.572 4.629 7.814 109 HZ2 TRP 15 HZ2 TRP 15 -4.796 3.264 7.958 110 HZ3 TRP 15 HZ3 TRP 15 -8.311 4.724 9.949 111 HH2 TRP 15 HH2 TRP 15 -5.927 4.044 10.024 112 H LEU 16 H LEU 16 -9.648 4.898 1.150 113 HA LEU 16 HA LEU 16 -12.442 4.095 0.884 114 HB2 LEU 16 HB2 LEU 16 -11.588 6.772 0.317 115 HB3 LEU 16 HB3 LEU 16 -11.904 5.990 -1.223 116 HG LEU 16 HG LEU 16 -14.153 5.259 -0.278 117 HD11 LEU 16 HD11 LEU 16 -13.178 7.030 1.967 118 HD12 LEU 16 HD12 LEU 16 -13.945 5.444 2.057 119 HD13 LEU 16 HD13 LEU 16 -14.906 6.859 1.653 120 HD21 LEU 16 HD21 LEU 16 -14.003 7.142 -1.825 121 HD22 LEU 16 HD22 LEU 16 -13.539 8.226 -0.512 122 HD23 LEU 16 HD23 LEU 16 -15.164 7.539 -0.558 123 H ARG 17 H ARG 17 -12.943 3.314 -1.358 124 HA ARG 17 HA ARG 17 -11.129 1.356 -2.164 125 HB2 ARG 17 HB2 ARG 17 -13.495 2.594 -3.551 126 HB3 ARG 17 HB3 ARG 17 -12.536 1.343 -4.337 127 HG2 ARG 17 HG2 ARG 17 -13.642 0.957 -1.542 128 HG3 ARG 17 HG3 ARG 17 -14.609 0.582 -2.969 129 HD2 ARG 17 HD2 ARG 17 -12.833 -0.947 -3.769 130 HD3 ARG 17 HD3 ARG 17 -11.879 -0.587 -2.337 131 HE ARG 17 HE ARG 17 -13.284 -1.973 -1.094 132 HH11 ARG 17 HH11 ARG 17 -14.716 -1.405 -4.251 133 HH12 ARG 17 HH12 ARG 17 -15.946 -2.608 -4.046 134 HH21 ARG 17 HH21 ARG 17 -14.905 -3.532 -0.866 135 HH22 ARG 17 HH22 ARG 17 -16.048 -3.806 -2.138 136 H ILE 18 H ILE 18 -9.773 1.080 -3.859 137 HA ILE 18 HA ILE 18 -7.960 3.079 -4.452 138 HB ILE 18 HB ILE 18 -7.148 1.548 -6.283 139 HG12 ILE 18 HG12 ILE 18 -8.314 -0.824 -6.102 140 HG13 ILE 18 HG13 ILE 18 -9.698 0.075 -5.513 141 HG21 ILE 18 HG21 ILE 18 -7.468 0.821 -3.399 142 HG22 ILE 18 HG22 ILE 18 -6.015 1.024 -4.365 143 HG23 ILE 18 HG23 ILE 18 -6.923 -0.468 -4.471 144 HD11 ILE 18 HD11 ILE 18 -10.264 0.561 -7.623 145 HD12 ILE 18 HD12 ILE 18 -8.863 -0.319 -8.211 146 HD13 ILE 18 HD13 ILE 18 -8.738 1.406 -7.893 147 H ASP 19 H ASP 19 -10.995 2.488 -6.067 148 HA ASP 19 HA ASP 19 -10.176 4.305 -8.255 149 HB2 ASP 19 HB2 ASP 19 -10.811 2.040 -8.975 150 HB3 ASP 19 HB3 ASP 19 -12.433 2.295 -8.323 151 H ASP 20 H ASP 20 -11.172 5.180 -5.596 152 HA ASP 20 HA ASP 20 -13.832 6.224 -6.165 153 HB2 ASP 20 HB2 ASP 20 -13.873 7.031 -3.914 154 HB3 ASP 20 HB3 ASP 20 -13.198 5.405 -3.879 155 HA PRO 21 HA PRO 21 -12.760 10.325 -7.638 156 HB2 PRO 21 HB2 PRO 21 -14.589 11.450 -5.574 157 HB3 PRO 21 HB3 PRO 21 -14.587 11.680 -7.337 158 HG2 PRO 21 HG2 PRO 21 -16.412 10.157 -6.231 159 HG3 PRO 21 HG3 PRO 21 -15.621 9.639 -7.734 160 HD2 PRO 21 HD2 PRO 21 -15.090 8.710 -4.924 161 HD3 PRO 21 HD3 PRO 21 -15.224 7.754 -6.425 162 H THR 22 H THR 22 -12.667 9.745 -4.138 163 HA THR 22 HA THR 22 -11.477 12.145 -3.321 164 HB THR 22 HB THR 22 -10.779 9.597 -1.881 165 HG1 THR 22 HG1 THR 22 -13.326 10.870 -1.957 166 HG21 THR 22 HG21 THR 22 -11.874 12.217 -0.863 167 HG22 THR 22 HG22 THR 22 -10.158 11.957 -1.140 168 HG23 THR 22 HG23 THR 22 -11.017 10.980 0.043 169 H LEU 23 H LEU 23 -9.848 9.045 -4.147 170 HA LEU 23 HA LEU 23 -7.287 10.424 -4.017 171 HB2 LEU 23 HB2 LEU 23 -6.207 8.307 -4.286 172 HB3 LEU 23 HB3 LEU 23 -7.528 8.100 -3.153 173 HG LEU 23 HG LEU 23 -8.858 7.450 -5.449 174 HD11 LEU 23 HD11 LEU 23 -6.674 7.811 -6.751 175 HD12 LEU 23 HD12 LEU 23 -7.487 6.273 -7.011 176 HD13 LEU 23 HD13 LEU 23 -6.083 6.356 -5.954 177 HD21 LEU 23 HD21 LEU 23 -8.313 6.081 -3.247 178 HD22 LEU 23 HD22 LEU 23 -7.081 5.311 -4.242 179 HD23 LEU 23 HD23 LEU 23 -8.778 5.223 -4.709 180 H GLN 24 H GLN 24 -9.660 9.907 -6.397 181 HA GLN 24 HA GLN 24 -7.810 9.992 -8.642 182 HB2 GLN 24 HB2 GLN 24 -10.638 9.373 -8.257 183 HB3 GLN 24 HB3 GLN 24 -10.444 10.506 -9.584 184 HG2 GLN 24 HG2 GLN 24 -10.361 8.160 -10.384 185 HG3 GLN 24 HG3 GLN 24 -8.827 8.991 -10.663 186 HE21 GLN 24 HE21 GLN 24 -10.437 6.524 -8.710 187 HE22 GLN 24 HE22 GLN 24 -9.016 5.842 -8.086 188 H GLU 25 H GLU 25 -9.793 12.279 -6.831 189 HA GLU 25 HA GLU 25 -8.880 14.437 -8.643 190 HB2 GLU 25 HB2 GLU 25 -11.516 14.264 -7.179 191 HB3 GLU 25 HB3 GLU 25 -10.972 15.637 -8.139 192 HG2 GLU 25 HG2 GLU 25 -11.339 12.811 -9.198 193 HG3 GLU 25 HG3 GLU 25 -12.476 14.132 -9.440 194 H CYS 26 H CYS 26 -8.687 13.334 -5.415 195 HA CYS 26 HA CYS 26 -7.841 16.026 -4.553 196 HB2 CYS 26 HB2 CYS 26 -9.255 14.007 -2.783 197 HB3 CYS 26 HB3 CYS 26 -8.646 15.578 -2.308 198 HG CYS 26 HG CYS 26 -10.761 16.541 -3.115 199 H ARG 27 H ARG 27 -6.494 15.857 -2.499 200 HA ARG 27 HA ARG 27 -4.141 14.481 -3.240 201 HB2 ARG 27 HB2 ARG 27 -4.778 15.941 -0.666 202 HB3 ARG 27 HB3 ARG 27 -3.193 15.344 -1.117 203 HG2 ARG 27 HG2 ARG 27 -2.895 17.429 -2.012 204 HG3 ARG 27 HG3 ARG 27 -3.786 16.787 -3.380 205 HD2 ARG 27 HD2 ARG 27 -4.726 18.943 -2.679 206 HD3 ARG 27 HD3 ARG 27 -5.897 17.664 -2.388 207 HE ARG 27 HE ARG 27 -5.611 17.970 -0.071 208 HH11 ARG 27 HH11 ARG 27 -3.223 19.858 -1.826 209 HH12 ARG 27 HH12 ARG 27 -2.732 20.757 -0.430 210 HH21 ARG 27 HH21 ARG 27 -4.945 19.171 1.721 211 HH22 ARG 27 HH22 ARG 27 -3.702 20.368 1.567 212 H VAL 28 H VAL 28 -2.913 12.977 -2.047 213 HA VAL 28 HA VAL 28 -4.492 11.230 -0.235 214 HB VAL 28 HB VAL 28 -3.361 9.251 -1.208 215 HG11 VAL 28 HG11 VAL 28 -4.947 11.040 -3.058 216 HG12 VAL 28 HG12 VAL 28 -5.547 9.724 -2.049 217 HG13 VAL 28 HG13 VAL 28 -4.549 9.369 -3.458 218 HG21 VAL 28 HG21 VAL 28 -2.249 9.591 -3.468 219 HG22 VAL 28 HG22 VAL 28 -1.333 10.234 -2.104 220 HG23 VAL 28 HG23 VAL 28 -2.259 11.323 -3.138 221 H LEU 29 H LEU 29 -3.208 9.936 1.281 222 HA LEU 29 HA LEU 29 -1.172 11.539 2.481 223 HB2 LEU 29 HB2 LEU 29 -2.275 8.825 3.187 224 HB3 LEU 29 HB3 LEU 29 -0.975 9.584 4.103 225 HG LEU 29 HG LEU 29 -3.643 10.935 3.576 226 HD11 LEU 29 HD11 LEU 29 -4.058 10.357 6.019 227 HD12 LEU 29 HD12 LEU 29 -2.695 9.243 5.903 228 HD13 LEU 29 HD13 LEU 29 -4.127 8.990 4.909 229 HD21 LEU 29 HD21 LEU 29 -1.257 11.499 5.370 230 HD22 LEU 29 HD22 LEU 29 -2.829 12.247 5.651 231 HD23 LEU 29 HD23 LEU 29 -1.962 12.556 4.148 232 H SER 30 H SER 30 0.935 11.403 2.527 233 HA SER 30 HA SER 30 2.371 9.070 1.484 234 HB2 SER 30 HB2 SER 30 2.867 11.857 0.452 235 HB3 SER 30 HB3 SER 30 3.680 10.392 -0.056 236 HG SER 30 HG SER 30 1.475 9.654 -0.638 237 H TYR 31 H TYR 31 4.790 9.352 1.902 238 HA TYR 31 HA TYR 31 5.190 10.993 4.333 239 HB2 TYR 31 HB2 TYR 31 5.425 8.449 4.562 240 HB3 TYR 31 HB3 TYR 31 6.848 8.595 3.527 241 HD1 TYR 31 HD1 TYR 31 5.430 9.284 6.824 242 HD2 TYR 31 HD2 TYR 31 8.833 9.871 4.286 243 HE1 TYR 31 HE1 TYR 31 6.769 9.977 8.793 244 HE2 TYR 31 HE2 TYR 31 10.183 10.559 6.252 245 HH TYR 31 HH TYR 31 9.279 9.991 9.392 246 H ASN 32 H ASN 32 6.156 12.812 3.750 247 HA ASN 32 HA ASN 32 7.834 12.932 1.412 248 HB2 ASN 32 HB2 ASN 32 6.681 14.881 3.325 249 HB3 ASN 32 HB3 ASN 32 8.221 15.348 2.608 250 HD21 ASN 32 HD21 ASN 32 8.305 15.611 0.256 251 HD22 ASN 32 HD22 ASN 32 6.879 15.788 -0.652 252 H GLU 33 H GLU 33 9.660 11.853 1.586 253 HA GLU 33 HA GLU 33 11.256 11.566 3.894 254 HB2 GLU 33 HB2 GLU 33 11.946 11.360 0.961 255 HB3 GLU 33 HB3 GLU 33 13.093 10.990 2.248 256 HG2 GLU 33 HG2 GLU 33 11.656 9.246 3.121 257 HG3 GLU 33 HG3 GLU 33 10.366 9.691 2.009 258 H SER 34 H SER 34 11.184 14.031 1.408 259 HA SER 34 HA SER 34 13.620 15.334 1.900 260 HB2 SER 34 HB2 SER 34 12.217 15.756 -0.089 261 HB3 SER 34 HB3 SER 34 10.994 16.485 0.942 262 HG SER 34 HG SER 34 12.858 17.779 -0.172 263 H THR 35 H THR 35 10.406 15.776 3.301 264 HA THR 35 HA THR 35 11.384 17.853 5.128 265 HB THR 35 HB THR 35 8.567 16.799 4.834 266 HG1 THR 35 HG1 THR 35 8.299 18.273 3.272 267 HG21 THR 35 HG21 THR 35 8.878 18.053 6.852 268 HG22 THR 35 HG22 THR 35 8.064 19.109 5.695 269 HG23 THR 35 HG23 THR 35 9.792 19.298 6.000 270 H GLN 36 H GLN 36 10.714 14.484 5.153 271 HA GLN 36 HA GLN 36 10.766 12.856 6.739 272 HB2 GLN 36 HB2 GLN 36 11.855 15.018 8.575 273 HB3 GLN 36 HB3 GLN 36 11.869 13.289 8.905 274 HG2 GLN 36 HG2 GLN 36 14.024 13.663 8.060 275 HG3 GLN 36 HG3 GLN 36 13.154 13.101 6.638 276 HE21 GLN 36 HE21 GLN 36 13.313 16.347 8.242 277 HE22 GLN 36 HE22 GLN 36 13.778 17.171 6.832 278 H GLN 37 H GLN 37 8.386 14.494 6.309 279 HA GLN 37 HA GLN 37 6.950 13.835 8.788 280 HB2 GLN 37 HB2 GLN 37 6.900 16.541 7.444 281 HB3 GLN 37 HB3 GLN 37 5.688 16.011 8.612 282 HG2 GLN 37 HG2 GLN 37 7.364 15.745 10.334 283 HG3 GLN 37 HG3 GLN 37 8.663 16.044 9.185 284 HE21 GLN 37 HE21 GLN 37 7.893 17.602 11.671 285 HE22 GLN 37 HE22 GLN 37 7.654 19.193 11.130 286 H TRP 38 H TRP 38 4.592 13.719 8.506 287 HA TRP 38 HA TRP 38 3.848 12.502 5.995 288 HB2 TRP 38 HB2 TRP 38 2.283 13.206 8.486 289 HB3 TRP 38 HB3 TRP 38 1.528 12.506 7.058 290 HD1 TRP 38 HD1 TRP 38 3.308 11.584 10.159 291 HE1 TRP 38 HE1 TRP 38 3.854 9.066 10.163 292 HE3 TRP 38 HE3 TRP 38 2.349 10.469 5.276 293 HZ2 TRP 38 HZ2 TRP 38 3.891 6.863 8.326 294 HZ3 TRP 38 HZ3 TRP 38 2.649 8.158 4.421 295 HH2 TRP 38 HH2 TRP 38 3.418 6.355 5.935 296 H GLU 39 H GLU 39 2.839 13.412 4.297 297 HA GLU 39 HA GLU 39 1.493 15.993 4.583 298 HB2 GLU 39 HB2 GLU 39 3.760 15.562 2.624 299 HB3 GLU 39 HB3 GLU 39 2.711 16.977 2.674 300 HG2 GLU 39 HG2 GLU 39 4.518 16.059 4.944 301 HG3 GLU 39 HG3 GLU 39 4.863 17.388 3.846 302 H TRP 40 H TRP 40 0.172 16.563 2.761 303 HA TRP 40 HA TRP 40 -0.857 14.201 1.366 304 HB2 TRP 40 HB2 TRP 40 -1.987 16.826 2.187 305 HB3 TRP 40 HB3 TRP 40 -2.502 16.294 0.597 306 HD1 TRP 40 HD1 TRP 40 -3.762 13.901 0.456 307 HE1 TRP 40 HE1 TRP 40 -5.219 12.674 2.188 308 HE3 TRP 40 HE3 TRP 40 -2.367 16.379 4.700 309 HZ2 TRP 40 HZ2 TRP 40 -5.732 12.731 4.990 310 HZ3 TRP 40 HZ3 TRP 40 -3.361 15.770 6.891 311 HH2 TRP 40 HH2 TRP 40 -5.042 13.950 7.039 312 H GLN 41 H GLN 41 -0.514 13.786 -0.684 313 HA GLN 41 HA GLN 41 0.975 15.745 -2.329 314 HB2 GLN 41 HB2 GLN 41 0.553 12.812 -2.967 315 HB3 GLN 41 HB3 GLN 41 1.744 13.909 -3.645 316 HG2 GLN 41 HG2 GLN 41 1.714 13.145 -0.709 317 HG3 GLN 41 HG3 GLN 41 2.622 12.249 -1.923 318 HE21 GLN 41 HE21 GLN 41 2.289 15.570 -0.577 319 HE22 GLN 41 HE22 GLN 41 3.904 15.996 -0.876 320 H GLN 42 H GLN 42 0.364 15.765 -4.740 321 HA GLN 42 HA GLN 42 -2.564 15.693 -4.920 322 HB2 GLN 42 HB2 GLN 42 -0.443 17.219 -6.397 323 HB3 GLN 42 HB3 GLN 42 -1.967 16.881 -7.222 324 HG2 GLN 42 HG2 GLN 42 -1.848 18.144 -4.465 325 HG3 GLN 42 HG3 GLN 42 -1.853 19.097 -5.940 326 HE21 GLN 42 HE21 GLN 42 -3.858 16.199 -6.221 327 HE22 GLN 42 HE22 GLN 42 -5.339 16.962 -5.942 328 H VAL 43 H VAL 43 -3.621 14.278 -6.073 329 HA VAL 43 HA VAL 43 -2.198 12.093 -7.299 330 HB VAL 43 HB VAL 43 -4.426 11.120 -7.622 331 HG11 VAL 43 HG11 VAL 43 -5.186 11.361 -5.119 332 HG12 VAL 43 HG12 VAL 43 -3.708 12.299 -4.954 333 HG13 VAL 43 HG13 VAL 43 -3.632 10.624 -5.501 334 HG21 VAL 43 HG21 VAL 43 -6.393 12.491 -6.628 335 HG22 VAL 43 HG22 VAL 43 -5.810 12.926 -8.236 336 HG23 VAL 43 HG23 VAL 43 -5.338 13.893 -6.843 337 H LEU 44 H LEU 44 -1.399 12.214 -9.254 338 HA LEU 44 HA LEU 44 -2.156 14.149 -11.197 339 HB2 LEU 44 HB2 LEU 44 -0.452 11.714 -11.284 340 HB3 LEU 44 HB3 LEU 44 -0.662 12.774 -12.677 341 HG LEU 44 HG LEU 44 0.327 13.712 -9.970 342 HD11 LEU 44 HD11 LEU 44 1.809 12.934 -12.486 343 HD12 LEU 44 HD12 LEU 44 1.879 12.112 -10.929 344 HD13 LEU 44 HD13 LEU 44 2.562 13.736 -11.100 345 HD21 LEU 44 HD21 LEU 44 -0.424 15.651 -11.065 346 HD22 LEU 44 HD22 LEU 44 -0.107 15.010 -12.677 347 HD23 LEU 44 HD23 LEU 44 1.222 15.589 -11.686 348 H ARG 45 H ARG 45 -2.423 10.536 -11.276 349 HA ARG 45 HA ARG 45 -4.872 10.717 -12.837 350 HB2 ARG 45 HB2 ARG 45 -3.963 9.801 -14.904 351 HB3 ARG 45 HB3 ARG 45 -3.101 11.282 -14.467 352 HG2 ARG 45 HG2 ARG 45 -1.302 9.900 -13.432 353 HG3 ARG 45 HG3 ARG 45 -2.116 8.449 -14.018 354 HD2 ARG 45 HD2 ARG 45 -0.388 9.049 -15.610 355 HD3 ARG 45 HD3 ARG 45 -1.958 9.363 -16.343 356 HE ARG 45 HE ARG 45 -1.468 11.642 -16.330 357 HH11 ARG 45 HH11 ARG 45 0.865 9.960 -14.312 358 HH12 ARG 45 HH12 ARG 45 1.880 11.350 -14.115 359 HH21 ARG 45 HH21 ARG 45 -0.118 13.433 -16.042 360 HH22 ARG 45 HH22 ARG 45 1.324 13.305 -15.089 361 H TRP 46 H TRP 46 -5.978 8.807 -13.097 362 HA TRP 46 HA TRP 46 -5.153 6.590 -11.372 363 HB2 TRP 46 HB2 TRP 46 -7.441 7.572 -11.250 364 HB3 TRP 46 HB3 TRP 46 -7.733 7.019 -12.890 365 HD1 TRP 46 HD1 TRP 46 -6.438 5.372 -9.617 366 HE1 TRP 46 HE1 TRP 46 -7.585 3.074 -9.382 367 HE3 TRP 46 HE3 TRP 46 -9.267 5.354 -13.871 368 HZ2 TRP 46 HZ2 TRP 46 -9.453 1.451 -10.804 369 HZ3 TRP 46 HZ3 TRP 46 -10.723 3.418 -14.403 370 HH2 TRP 46 HH2 TRP 46 -10.818 1.469 -12.874 371 H LEU 47 H LEU 47 -3.949 5.046 -12.256 372 HA LEU 47 HA LEU 47 -4.253 4.403 -15.115 373 HB2 LEU 47 HB2 LEU 47 -1.929 3.870 -13.246 374 HB3 LEU 47 HB3 LEU 47 -1.982 3.444 -14.955 375 HG LEU 47 HG LEU 47 -2.263 6.280 -13.891 376 HD11 LEU 47 HD11 LEU 47 0.114 4.887 -15.163 377 HD12 LEU 47 HD12 LEU 47 -0.007 5.377 -13.472 378 HD13 LEU 47 HD13 LEU 47 0.035 6.598 -14.744 379 HD21 LEU 47 HD21 LEU 47 -1.988 5.085 -16.666 380 HD22 LEU 47 HD22 LEU 47 -1.759 6.806 -16.337 381 HD23 LEU 47 HD23 LEU 47 -3.326 6.046 -16.040 382 H ASP 48 H ASP 48 -5.086 2.558 -15.721 383 HA ASP 48 HA ASP 48 -5.592 0.446 -13.751 384 HB2 ASP 48 HB2 ASP 48 -6.978 -0.553 -15.591 385 HB3 ASP 48 HB3 ASP 48 -7.520 1.037 -15.063 386 H GLN 49 H GLN 49 -3.699 -0.674 -13.486 387 HA GLN 49 HA GLN 49 -1.867 -1.337 -15.542 388 HB2 GLN 49 HB2 GLN 49 -2.380 -2.513 -12.819 389 HB3 GLN 49 HB3 GLN 49 -1.114 -3.133 -13.882 390 HG2 GLN 49 HG2 GLN 49 -0.048 -1.527 -12.490 391 HG3 GLN 49 HG3 GLN 49 -0.293 -0.705 -14.030 392 HE21 GLN 49 HE21 GLN 49 -2.384 -1.304 -11.140 393 HE22 GLN 49 HE22 GLN 49 -2.870 0.315 -10.992 394 H GLY 50 H GLY 50 -4.682 -3.026 -14.234 395 HA2 GLY 50 HA2 GLY 50 -6.064 -4.447 -15.543 396 HA3 GLY 50 HA3 GLY 50 -4.698 -4.756 -16.610 397 H VAL 51 H VAL 51 -5.118 -7.007 -16.433 398 HA VAL 51 HA VAL 51 -5.176 -8.429 -13.986 399 HB VAL 51 HB VAL 51 -4.788 -10.442 -15.380 400 HG11 VAL 51 HG11 VAL 51 -7.038 -9.319 -15.192 401 HG12 VAL 51 HG12 VAL 51 -6.824 -10.286 -16.653 402 HG13 VAL 51 HG13 VAL 51 -6.700 -8.528 -16.732 403 HG21 VAL 51 HG21 VAL 51 -4.693 -10.003 -17.922 404 HG22 VAL 51 HG22 VAL 51 -3.205 -9.713 -17.024 405 HG23 VAL 51 HG23 VAL 51 -4.219 -8.355 -17.506 406 H ARG 52 H ARG 52 -3.596 -8.709 -12.553 407 HA ARG 52 HA ARG 52 -0.942 -9.467 -13.373 408 HB2 ARG 52 HB2 ARG 52 -0.777 -7.011 -13.552 409 HB3 ARG 52 HB3 ARG 52 -1.281 -6.845 -11.870 410 HG2 ARG 52 HG2 ARG 52 0.707 -7.972 -11.085 411 HG3 ARG 52 HG3 ARG 52 1.155 -8.445 -12.723 412 HD2 ARG 52 HD2 ARG 52 0.923 -5.563 -11.824 413 HD3 ARG 52 HD3 ARG 52 2.435 -6.464 -11.818 414 HE ARG 52 HE ARG 52 1.291 -6.691 -14.384 415 HH11 ARG 52 HH11 ARG 52 2.731 -4.212 -12.349 416 HH12 ARG 52 HH12 ARG 52 3.288 -3.265 -13.688 417 HH21 ARG 52 HH21 ARG 52 2.036 -5.423 -16.102 418 HH22 ARG 52 HH22 ARG 52 2.900 -3.951 -15.800 419 H GLU 53 H GLU 53 0.241 -10.446 -11.791 420 HA GLU 53 HA GLU 53 -1.119 -11.804 -9.728 421 HB2 GLU 53 HB2 GLU 53 0.925 -12.626 -10.921 422 HB3 GLU 53 HB3 GLU 53 1.871 -11.432 -10.036 423 HG2 GLU 53 HG2 GLU 53 1.186 -12.453 -7.903 424 HG3 GLU 53 HG3 GLU 53 0.213 -13.632 -8.780 425 H THR 54 H THR 54 -1.160 -11.520 -7.447 426 HA THR 54 HA THR 54 0.218 -9.089 -6.449 427 HB THR 54 HB THR 54 -2.171 -8.523 -7.038 428 HG1 THR 54 HG1 THR 54 -2.288 -7.223 -5.333 429 HG21 THR 54 HG21 THR 54 -3.092 -9.849 -4.532 430 HG22 THR 54 HG22 THR 54 -2.941 -10.868 -5.972 431 HG23 THR 54 HG23 THR 54 -3.992 -9.450 -5.991 432 H TRP 55 H TRP 55 0.875 -9.037 -4.354 433 HA TRP 55 HA TRP 55 0.696 -11.528 -2.786 434 HB2 TRP 55 HB2 TRP 55 2.785 -9.350 -2.852 435 HB3 TRP 55 HB3 TRP 55 2.751 -10.632 -1.642 436 HD1 TRP 55 HD1 TRP 55 3.086 -10.136 -5.441 437 HE1 TRP 55 HE1 TRP 55 4.351 -12.162 -6.420 438 HE3 TRP 55 HE3 TRP 55 3.469 -13.068 -1.273 439 HZ2 TRP 55 HZ2 TRP 55 5.392 -14.671 -5.557 440 HZ3 TRP 55 HZ3 TRP 55 4.600 -15.266 -1.379 441 HH2 TRP 55 HH2 TRP 55 5.563 -16.072 -3.517 442 H LYS 56 H LYS 56 -0.279 -11.421 -0.754 443 HA LYS 56 HA LYS 56 -1.351 -8.782 -0.017 444 HB2 LYS 56 HB2 LYS 56 -2.884 -10.744 -0.411 445 HB3 LYS 56 HB3 LYS 56 -2.233 -11.438 1.074 446 HG2 LYS 56 HG2 LYS 56 -3.032 -9.634 2.403 447 HG3 LYS 56 HG3 LYS 56 -3.448 -8.669 0.971 448 HD2 LYS 56 HD2 LYS 56 -5.066 -10.488 0.309 449 HD3 LYS 56 HD3 LYS 56 -4.762 -11.262 1.866 450 HE2 LYS 56 HE2 LYS 56 -5.811 -8.434 1.490 451 HE3 LYS 56 HE3 LYS 56 -6.791 -9.835 1.925 452 HZ1 LYS 56 HZ1 LYS 56 -6.111 -8.509 3.851 453 HZ2 LYS 56 HZ2 LYS 56 -4.482 -8.831 3.481 454 HZ3 LYS 56 HZ3 LYS 56 -5.524 -10.101 3.926 455 H ILE 57 H ILE 57 0.149 -7.783 1.106 456 HA ILE 57 HA ILE 57 1.587 -8.884 3.330 457 HB ILE 57 HB ILE 57 1.402 -6.241 1.951 458 HG12 ILE 57 HG12 ILE 57 3.253 -7.978 1.656 459 HG13 ILE 57 HG13 ILE 57 3.809 -6.339 1.946 460 HG21 ILE 57 HG21 ILE 57 1.936 -6.287 4.915 461 HG22 ILE 57 HG22 ILE 57 0.952 -5.162 3.979 462 HG23 ILE 57 HG23 ILE 57 2.710 -5.087 3.877 463 HD11 ILE 57 HD11 ILE 57 4.277 -6.858 4.294 464 HD12 ILE 57 HD12 ILE 57 5.072 -8.061 3.282 465 HD13 ILE 57 HD13 ILE 57 3.570 -8.464 4.115 466 H LYS 58 H LYS 58 0.327 -9.674 4.814 467 HA LYS 58 HA LYS 58 -1.979 -8.268 5.876 468 HB2 LYS 58 HB2 LYS 58 -2.094 -10.722 5.467 469 HB3 LYS 58 HB3 LYS 58 -0.719 -10.956 6.501 470 HG2 LYS 58 HG2 LYS 58 -2.705 -11.492 7.796 471 HG3 LYS 58 HG3 LYS 58 -2.025 -9.997 8.430 472 HD2 LYS 58 HD2 LYS 58 -3.665 -8.672 7.347 473 HD3 LYS 58 HD3 LYS 58 -4.229 -10.018 6.356 474 HE2 LYS 58 HE2 LYS 58 -5.803 -9.643 8.198 475 HE3 LYS 58 HE3 LYS 58 -4.976 -11.181 8.435 476 HZ1 LYS 58 HZ1 LYS 58 -5.158 -9.565 10.404 477 HZ2 LYS 58 HZ2 LYS 58 -3.910 -8.705 9.633 478 HZ3 LYS 58 HZ3 LYS 58 -3.665 -10.316 10.115 479 H THR 59 H THR 59 -1.846 -6.977 7.660 480 HA THR 59 HA THR 59 0.454 -7.343 9.493 481 HB THR 59 HB THR 59 0.781 -4.974 9.743 482 HG1 THR 59 HG1 THR 59 -1.270 -4.571 7.838 483 HG21 THR 59 HG21 THR 59 1.674 -6.200 7.619 484 HG22 THR 59 HG22 THR 59 1.749 -4.440 7.685 485 HG23 THR 59 HG23 THR 59 0.468 -5.233 6.767 486 H PHE 60 H PHE 60 0.118 -6.425 11.625 487 HA PHE 60 HA PHE 60 -2.233 -7.428 12.747 488 HB2 PHE 60 HB2 PHE 60 -0.032 -7.175 13.932 489 HB3 PHE 60 HB3 PHE 60 -0.357 -5.447 14.057 490 HD1 PHE 60 HD1 PHE 60 -1.485 -8.821 15.116 491 HD2 PHE 60 HD2 PHE 60 -2.026 -4.582 15.581 492 HE1 PHE 60 HE1 PHE 60 -2.895 -9.220 17.113 493 HE2 PHE 60 HE2 PHE 60 -3.435 -4.988 17.580 494 HZ PHE 60 HZ PHE 60 -3.866 -7.305 18.342 495 H GLN 61 H GLN 61 -1.347 -4.095 11.900 496 HA GLN 61 HA GLN 61 -3.836 -3.074 13.026 497 HB2 GLN 61 HB2 GLN 61 -1.631 -1.645 11.521 498 HB3 GLN 61 HB3 GLN 61 -3.013 -0.864 12.289 499 HG2 GLN 61 HG2 GLN 61 -2.282 -1.906 14.472 500 HG3 GLN 61 HG3 GLN 61 -0.822 -2.446 13.642 501 HE21 GLN 61 HE21 GLN 61 0.865 -1.079 14.197 502 HE22 GLN 61 HE22 GLN 61 0.748 0.621 14.287 503 H THR 62 H THR 62 -2.468 -3.772 9.846 504 HA THR 62 HA THR 62 -5.125 -3.408 8.659 505 HB THR 62 HB THR 62 -4.313 -1.979 6.838 506 HG1 THR 62 HG1 THR 62 -2.239 -1.238 6.835 507 HG21 THR 62 HG21 THR 62 -4.129 0.078 8.076 508 HG22 THR 62 HG22 THR 62 -3.513 -0.767 9.495 509 HG23 THR 62 HG23 THR 62 -5.190 -0.990 8.997 510 H GLU 63 H GLU 63 -4.730 -3.770 6.060 511 HA GLU 63 HA GLU 63 -2.852 -5.882 5.459 512 HB2 GLU 63 HB2 GLU 63 -4.483 -7.610 4.976 513 HB3 GLU 63 HB3 GLU 63 -4.703 -7.072 6.639 514 HG2 GLU 63 HG2 GLU 63 -6.545 -5.540 5.844 515 HG3 GLU 63 HG3 GLU 63 -6.396 -6.282 4.252 516 H ILE 64 H ILE 64 -2.584 -6.184 3.197 517 HA ILE 64 HA ILE 64 -4.362 -4.893 1.317 518 HB ILE 64 HB ILE 64 -3.208 -2.950 2.286 519 HG12 ILE 64 HG12 ILE 64 -2.226 -2.049 0.095 520 HG13 ILE 64 HG13 ILE 64 -2.540 -3.637 -0.595 521 HG21 ILE 64 HG21 ILE 64 -1.103 -4.076 2.906 522 HG22 ILE 64 HG22 ILE 64 -0.799 -2.626 1.950 523 HG23 ILE 64 HG23 ILE 64 -0.678 -4.218 1.200 524 HD11 ILE 64 HD11 ILE 64 -4.350 -1.710 -0.785 525 HD12 ILE 64 HD12 ILE 64 -4.787 -2.232 0.837 526 HD13 ILE 64 HD13 ILE 64 -4.848 -3.374 -0.504 527 H LYS 65 H LYS 65 -4.002 -5.456 -0.850 528 HA LYS 65 HA LYS 65 -1.751 -7.287 -1.360 529 HB2 LYS 65 HB2 LYS 65 -3.300 -8.260 -3.177 530 HB3 LYS 65 HB3 LYS 65 -3.632 -8.706 -1.510 531 HG2 LYS 65 HG2 LYS 65 -5.029 -6.266 -2.616 532 HG3 LYS 65 HG3 LYS 65 -5.582 -7.843 -3.170 533 HD2 LYS 65 HD2 LYS 65 -5.833 -8.545 -0.770 534 HD3 LYS 65 HD3 LYS 65 -5.431 -6.897 -0.288 535 HE2 LYS 65 HE2 LYS 65 -7.716 -7.588 -2.150 536 HE3 LYS 65 HE3 LYS 65 -7.906 -7.350 -0.414 537 HZ1 LYS 65 HZ1 LYS 65 -8.313 -5.255 -1.187 538 HZ2 LYS 65 HZ2 LYS 65 -7.243 -5.402 -2.499 539 HZ3 LYS 65 HZ3 LYS 65 -6.639 -5.148 -0.931 540 H CYS 66 H CYS 66 -0.386 -6.753 -2.877 541 HA CYS 66 HA CYS 66 -1.160 -4.918 -5.029 542 HB2 CYS 66 HB2 CYS 66 0.717 -3.456 -4.612 543 HB3 CYS 66 HB3 CYS 66 -0.241 -3.566 -3.154 544 HG CYS 66 HG CYS 66 1.558 -5.421 -2.316 545 H THR 67 H THR 67 1.034 -4.594 -6.443 546 HA THR 67 HA THR 67 1.429 -6.896 -7.874 547 HB THR 67 HB THR 67 3.552 -4.771 -7.495 548 HG1 THR 67 HG1 THR 67 2.343 -3.526 -8.700 549 HG21 THR 67 HG21 THR 67 2.927 -6.656 -9.783 550 HG22 THR 67 HG22 THR 67 4.349 -6.718 -8.741 551 HG23 THR 67 HG23 THR 67 4.121 -5.359 -9.842 552 H GLY 68 H GLY 68 3.458 -5.791 -5.139 553 HA2 GLY 68 HA2 GLY 68 4.471 -7.235 -3.550 554 HA3 GLY 68 HA3 GLY 68 4.253 -8.562 -4.665 555 H ASN 69 H ASN 69 5.487 -6.404 -6.714 556 HA ASN 69 HA ASN 69 8.240 -7.377 -6.335 557 HB2 ASN 69 HB2 ASN 69 6.950 -6.074 -8.739 558 HB3 ASN 69 HB3 ASN 69 8.579 -6.754 -8.679 559 HD21 ASN 69 HD21 ASN 69 8.341 -9.176 -7.489 560 HD22 ASN 69 HD22 ASN 69 7.209 -10.162 -8.285 561 H HIS 70 H HIS 70 6.391 -4.482 -6.081 562 HA HIS 70 HA HIS 70 8.691 -2.707 -6.314 563 HB2 HIS 70 HB2 HIS 70 7.091 -0.882 -5.826 564 HB3 HIS 70 HB3 HIS 70 6.563 -1.875 -7.182 565 HD2 HIS 70 HD2 HIS 70 4.118 -3.106 -6.818 566 HE1 HIS 70 HE1 HIS 70 3.582 -2.134 -2.756 567 HE2 HIS 70 HE2 HIS 70 2.506 -3.200 -4.787 568 H LEU 71 H LEU 71 9.323 -1.268 -4.611 569 HA LEU 71 HA LEU 71 9.545 -2.630 -2.065 570 HB2 LEU 71 HB2 LEU 71 10.591 0.080 -2.928 571 HB3 LEU 71 HB3 LEU 71 11.015 -0.773 -1.444 572 HG LEU 71 HG LEU 71 11.733 -2.723 -3.085 573 HD11 LEU 71 HD11 LEU 71 12.730 -1.563 -5.223 574 HD12 LEU 71 HD12 LEU 71 11.509 -0.333 -4.914 575 HD13 LEU 71 HD13 LEU 71 11.027 -2.002 -5.205 576 HD21 LEU 71 HD21 LEU 71 13.321 -1.493 -1.669 577 HD22 LEU 71 HD22 LEU 71 13.314 -0.141 -2.800 578 HD23 LEU 71 HD23 LEU 71 14.009 -1.689 -3.282 579 H ILE 72 H ILE 72 8.632 -2.090 -0.147 580 HA ILE 72 HA ILE 72 6.873 0.281 -0.065 581 HB ILE 72 HB ILE 72 5.382 -0.898 1.481 582 HG12 ILE 72 HG12 ILE 72 7.112 -2.640 2.211 583 HG13 ILE 72 HG13 ILE 72 5.499 -3.268 1.924 584 HG21 ILE 72 HG21 ILE 72 4.150 -2.164 -0.182 585 HG22 ILE 72 HG22 ILE 72 5.596 -2.321 -1.180 586 HG23 ILE 72 HG23 ILE 72 4.868 -0.736 -0.928 587 HD11 ILE 72 HD11 ILE 72 7.956 -4.144 0.758 588 HD12 ILE 72 HD12 ILE 72 6.989 -3.465 -0.553 589 HD13 ILE 72 HD13 ILE 72 6.333 -4.748 0.455 590 H ARG 73 H ARG 73 6.899 1.466 1.821 591 HA ARG 73 HA ARG 73 9.352 1.551 3.118 592 HB2 ARG 73 HB2 ARG 73 7.663 3.462 2.993 593 HB3 ARG 73 HB3 ARG 73 6.838 2.683 4.343 594 HG2 ARG 73 HG2 ARG 73 8.285 4.261 5.370 595 HG3 ARG 73 HG3 ARG 73 9.111 2.716 5.556 596 HD2 ARG 73 HD2 ARG 73 10.816 4.141 4.773 597 HD3 ARG 73 HD3 ARG 73 10.302 3.321 3.319 598 HE ARG 73 HE ARG 73 9.249 5.310 2.579 599 HH11 ARG 73 HH11 ARG 73 10.664 5.748 5.774 600 HH12 ARG 73 HH12 ARG 73 10.606 7.474 5.685 601 HH21 ARG 73 HH21 ARG 73 9.239 7.569 2.505 602 HH22 ARG 73 HH22 ARG 73 9.824 8.487 3.846 603 H THR 74 H THR 74 10.241 0.767 4.883 604 HA THR 74 HA THR 74 8.635 -0.798 6.770 605 HB THR 74 HB THR 74 11.325 -1.788 5.824 606 HG1 THR 74 HG1 THR 74 8.768 -2.356 4.728 607 HG21 THR 74 HG21 THR 74 10.125 -3.972 6.449 608 HG22 THR 74 HG22 THR 74 8.934 -2.955 7.245 609 HG23 THR 74 HG23 THR 74 10.618 -2.918 7.769 610 H ASP 75 H ASP 75 10.099 -1.344 8.767 611 HA ASP 75 HA ASP 75 10.864 1.040 9.968 612 HB2 ASP 75 HB2 ASP 75 11.933 -0.316 11.725 613 HB3 ASP 75 HB3 ASP 75 10.360 -0.962 11.281 614 H LYS 76 H LYS 76 12.847 -1.215 8.097 615 HA LYS 76 HA LYS 76 15.253 0.363 8.617 616 HB2 LYS 76 HB2 LYS 76 14.854 -2.171 7.017 617 HB3 LYS 76 HB3 LYS 76 16.403 -1.356 7.222 618 HG2 LYS 76 HG2 LYS 76 16.061 -1.522 9.730 619 HG3 LYS 76 HG3 LYS 76 14.675 -2.561 9.405 620 HD2 LYS 76 HD2 LYS 76 17.457 -3.154 8.349 621 HD3 LYS 76 HD3 LYS 76 16.862 -3.778 9.886 622 HE2 LYS 76 HE2 LYS 76 14.989 -4.898 8.712 623 HE3 LYS 76 HE3 LYS 76 15.586 -4.277 7.171 624 HZ1 LYS 76 HZ1 LYS 76 17.148 -6.009 9.007 625 HZ2 LYS 76 HZ2 LYS 76 17.599 -5.515 7.446 626 HZ3 LYS 76 HZ3 LYS 76 16.289 -6.577 7.660 627 H GLY 77 H GLY 77 12.687 0.538 6.433 628 HA2 GLY 77 HA2 GLY 77 12.907 2.620 5.014 629 HA3 GLY 77 HA3 GLY 77 14.361 1.866 4.375 630 H TRP 78 H TRP 78 12.960 2.410 2.372 631 HA TRP 78 HA TRP 78 10.737 0.736 1.730 632 HB2 TRP 78 HB2 TRP 78 12.280 2.874 0.423 633 HB3 TRP 78 HB3 TRP 78 11.917 1.585 -0.716 634 HD1 TRP 78 HD1 TRP 78 9.151 0.724 -0.247 635 HE1 TRP 78 HE1 TRP 78 7.083 2.255 -0.324 636 HE3 TRP 78 HE3 TRP 78 11.385 5.255 0.492 637 HZ2 TRP 78 HZ2 TRP 78 6.458 5.015 -0.123 638 HZ3 TRP 78 HZ3 TRP 78 10.008 7.329 0.531 639 HH2 TRP 78 HH2 TRP 78 7.543 7.198 0.225 640 H ILE 79 H ILE 79 10.800 -1.368 1.466 641 HA ILE 79 HA ILE 79 13.133 -2.592 0.108 642 HB ILE 79 HB ILE 79 11.701 -3.718 2.548 643 HG12 ILE 79 HG12 ILE 79 14.591 -2.807 2.262 644 HG13 ILE 79 HG13 ILE 79 13.319 -1.754 2.884 645 HG21 ILE 79 HG21 ILE 79 13.535 -5.449 2.434 646 HG22 ILE 79 HG22 ILE 79 14.016 -4.782 0.874 647 HG23 ILE 79 HG23 ILE 79 12.428 -5.526 1.063 648 HD11 ILE 79 HD11 ILE 79 12.854 -3.763 4.537 649 HD12 ILE 79 HD12 ILE 79 14.192 -2.662 4.861 650 HD13 ILE 79 HD13 ILE 79 14.503 -4.232 4.121 651 H LYS 80 H LYS 80 12.735 -4.252 -1.308 652 HA LYS 80 HA LYS 80 10.367 -4.388 -2.742 653 HB2 LYS 80 HB2 LYS 80 12.574 -5.285 -3.488 654 HB3 LYS 80 HB3 LYS 80 12.350 -6.650 -2.395 655 HG2 LYS 80 HG2 LYS 80 10.368 -7.372 -3.595 656 HG3 LYS 80 HG3 LYS 80 10.387 -5.919 -4.591 657 HD2 LYS 80 HD2 LYS 80 11.335 -7.669 -5.937 658 HD3 LYS 80 HD3 LYS 80 12.680 -6.653 -5.423 659 HE2 LYS 80 HE2 LYS 80 13.234 -8.234 -3.634 660 HE3 LYS 80 HE3 LYS 80 11.844 -9.230 -4.053 661 HZ1 LYS 80 HZ1 LYS 80 13.791 -8.594 -6.147 662 HZ2 LYS 80 HZ2 LYS 80 12.823 -9.977 -5.952 663 HZ3 LYS 80 HZ3 LYS 80 14.209 -9.762 -4.993 664 H ALA 81 H ALA 81 8.458 -5.388 -2.544 665 HA ALA 81 HA ALA 81 7.536 -6.352 -0.084 666 HB1 ALA 81 HB1 ALA 81 5.767 -5.648 -1.349 667 HB2 ALA 81 HB2 ALA 81 5.672 -7.365 -1.733 668 HB3 ALA 81 HB3 ALA 81 6.465 -6.250 -2.849 669 H ALA 82 H ALA 82 8.709 -8.114 -2.900 670 HA ALA 82 HA ALA 82 8.052 -10.714 -2.057 671 HB1 ALA 82 HB1 ALA 82 9.759 -9.505 -4.078 672 HB2 ALA 82 HB2 ALA 82 8.899 -11.042 -4.114 673 HB3 ALA 82 HB3 ALA 82 10.508 -10.953 -3.401 674 H ASN 83 H ASN 83 10.770 -8.604 -1.254 675 HA ASN 83 HA ASN 83 12.262 -10.553 0.223 676 HB2 ASN 83 HB2 ASN 83 13.256 -8.499 -0.795 677 HB3 ASN 83 HB3 ASN 83 12.417 -7.545 0.435 678 HD21 ASN 83 HD21 ASN 83 15.262 -9.398 -0.193 679 HD22 ASN 83 HD22 ASN 83 15.859 -9.413 1.396 680 H ILE 84 H ILE 84 9.717 -8.248 1.036 681 HA ILE 84 HA ILE 84 10.062 -8.070 3.794 682 HB ILE 84 HB ILE 84 7.431 -8.062 2.283 683 HG12 ILE 84 HG12 ILE 84 8.986 -6.349 1.413 684 HG13 ILE 84 HG13 ILE 84 7.677 -5.583 2.292 685 HG21 ILE 84 HG21 ILE 84 7.123 -8.356 4.725 686 HG22 ILE 84 HG22 ILE 84 6.524 -6.791 4.179 687 HG23 ILE 84 HG23 ILE 84 8.072 -6.897 5.015 688 HD11 ILE 84 HD11 ILE 84 10.540 -5.995 3.233 689 HD12 ILE 84 HD12 ILE 84 9.243 -5.485 4.314 690 HD13 ILE 84 HD13 ILE 84 9.713 -4.460 2.958 691 H THR 85 H THR 85 9.437 -9.185 5.526 692 HA THR 85 HA THR 85 8.170 -11.829 5.184 693 HB THR 85 HB THR 85 9.720 -12.712 6.928 694 HG1 THR 85 HG1 THR 85 10.968 -11.417 7.972 695 HG21 THR 85 HG21 THR 85 11.021 -11.468 4.495 696 HG22 THR 85 HG22 THR 85 10.394 -13.108 4.649 697 HG23 THR 85 HG23 THR 85 11.832 -12.626 5.548 698 HA PRO 86 HA PRO 86 5.312 -10.659 8.383 699 HB2 PRO 86 HB2 PRO 86 5.698 -12.602 10.379 700 HB3 PRO 86 HB3 PRO 86 4.607 -12.740 8.986 701 HG2 PRO 86 HG2 PRO 86 7.385 -13.771 9.309 702 HG3 PRO 86 HG3 PRO 86 5.974 -14.540 8.556 703 HD2 PRO 86 HD2 PRO 86 7.841 -13.502 7.000 704 HD3 PRO 86 HD3 PRO 86 6.120 -13.226 6.617 705 H LYS 87 H LYS 87 8.619 -11.298 9.332 706 HA LYS 87 HA LYS 87 8.628 -10.141 11.914 707 HB2 LYS 87 HB2 LYS 87 10.472 -11.565 10.969 708 HB3 LYS 87 HB3 LYS 87 10.930 -10.207 9.942 709 HG2 LYS 87 HG2 LYS 87 11.170 -8.809 12.045 710 HG3 LYS 87 HG3 LYS 87 10.937 -10.285 12.978 711 HD2 LYS 87 HD2 LYS 87 13.292 -10.073 12.820 712 HD3 LYS 87 HD3 LYS 87 12.886 -11.262 11.584 713 HE2 LYS 87 HE2 LYS 87 14.440 -9.617 10.643 714 HE3 LYS 87 HE3 LYS 87 12.867 -9.422 9.876 715 HZ1 LYS 87 HZ1 LYS 87 12.435 -7.507 11.060 716 HZ2 LYS 87 HZ2 LYS 87 14.099 -7.364 10.753 717 HZ3 LYS 87 HZ3 LYS 87 13.553 -7.867 12.282 718 H MET 88 H MET 88 9.086 -8.769 8.693 719 HA MET 88 HA MET 88 10.049 -6.257 9.379 720 HB2 MET 88 HB2 MET 88 8.641 -7.402 7.012 721 HB3 MET 88 HB3 MET 88 8.614 -5.649 7.151 722 HG2 MET 88 HG2 MET 88 10.584 -6.031 5.925 723 HG3 MET 88 HG3 MET 88 11.181 -5.869 7.570 724 HE1 MET 88 HE1 MET 88 13.578 -8.550 6.281 725 HE2 MET 88 HE2 MET 88 13.369 -6.988 7.067 726 HE3 MET 88 HE3 MET 88 12.919 -7.177 5.375 727 H LYS 89 H LYS 89 9.190 -4.299 9.832 728 HA LYS 89 HA LYS 89 6.312 -4.188 10.470 729 HB2 LYS 89 HB2 LYS 89 8.601 -2.951 12.017 730 HB3 LYS 89 HB3 LYS 89 6.893 -2.645 12.332 731 HG2 LYS 89 HG2 LYS 89 6.518 -5.014 12.822 732 HG3 LYS 89 HG3 LYS 89 8.190 -5.389 12.411 733 HD2 LYS 89 HD2 LYS 89 8.136 -5.255 14.795 734 HD3 LYS 89 HD3 LYS 89 8.867 -3.745 14.256 735 HE2 LYS 89 HE2 LYS 89 7.224 -3.207 15.954 736 HE3 LYS 89 HE3 LYS 89 6.584 -2.675 14.402 737 HZ1 LYS 89 HZ1 LYS 89 5.145 -4.098 16.038 738 HZ2 LYS 89 HZ2 LYS 89 5.971 -5.392 15.309 739 HZ3 LYS 89 HZ3 LYS 89 5.038 -4.334 14.362 740 H ILE 90 H ILE 90 5.214 -2.352 9.864 741 HA ILE 90 HA ILE 90 6.776 -0.315 8.379 742 HB ILE 90 HB ILE 90 4.039 -1.368 7.587 743 HG12 ILE 90 HG12 ILE 90 5.552 -2.099 5.503 744 HG13 ILE 90 HG13 ILE 90 6.858 -2.039 6.682 745 HG21 ILE 90 HG21 ILE 90 4.770 -0.051 5.418 746 HG22 ILE 90 HG22 ILE 90 5.840 0.806 6.519 747 HG23 ILE 90 HG23 ILE 90 4.098 0.833 6.787 748 HD11 ILE 90 HD11 ILE 90 5.544 -4.281 6.303 749 HD12 ILE 90 HD12 ILE 90 4.329 -3.544 7.343 750 HD13 ILE 90 HD13 ILE 90 5.967 -3.801 7.943 751 H LEU 91 H LEU 91 6.450 1.726 8.857 752 HA LEU 91 HA LEU 91 4.774 2.504 11.043 753 HB2 LEU 91 HB2 LEU 91 5.485 4.820 10.445 754 HB3 LEU 91 HB3 LEU 91 6.814 3.725 10.776 755 HG LEU 91 HG LEU 91 6.028 3.775 7.883 756 HD11 LEU 91 HD11 LEU 91 6.771 5.940 7.312 757 HD12 LEU 91 HD12 LEU 91 7.431 6.239 8.919 758 HD13 LEU 91 HD13 LEU 91 5.685 6.188 8.678 759 HD21 LEU 91 HD21 LEU 91 8.561 4.129 7.679 760 HD22 LEU 91 HD22 LEU 91 8.081 2.651 8.505 761 HD23 LEU 91 HD23 LEU 91 8.630 4.038 9.438 762 H SER 92 H SER 92 2.717 3.069 11.021 763 HA SER 92 HA SER 92 1.451 3.736 8.439 764 HB2 SER 92 HB2 SER 92 0.291 2.356 10.878 765 HB3 SER 92 HB3 SER 92 -0.661 2.881 9.490 766 HG SER 92 HG SER 92 1.156 0.803 9.778 767 HA PRO 93 HA PRO 93 0.470 7.739 10.276 768 HB2 PRO 93 HB2 PRO 93 -1.520 8.597 8.677 769 HB3 PRO 93 HB3 PRO 93 0.157 8.469 8.105 770 HG2 PRO 93 HG2 PRO 93 -2.120 6.582 7.689 771 HG3 PRO 93 HG3 PRO 93 -0.918 7.172 6.525 772 HD2 PRO 93 HD2 PRO 93 -0.705 4.732 7.707 773 HD3 PRO 93 HD3 PRO 93 0.719 5.696 7.241 774 H GLU 94 H GLU 94 -1.042 8.737 11.646 775 HA GLU 94 HA GLU 94 -3.500 7.217 12.264 776 HB2 GLU 94 HB2 GLU 94 -1.619 8.535 14.228 777 HB3 GLU 94 HB3 GLU 94 -3.169 7.810 14.647 778 HG2 GLU 94 HG2 GLU 94 -0.840 6.329 13.374 779 HG3 GLU 94 HG3 GLU 94 -1.271 6.253 15.078 780 H ILE 95 H ILE 95 -5.317 8.382 12.503 781 HA ILE 95 HA ILE 95 -5.181 11.211 11.820 782 HB ILE 95 HB ILE 95 -7.610 9.415 12.109 783 HG12 ILE 95 HG12 ILE 95 -6.142 8.589 10.287 784 HG13 ILE 95 HG13 ILE 95 -7.600 9.301 9.611 785 HG21 ILE 95 HG21 ILE 95 -8.022 11.890 12.313 786 HG22 ILE 95 HG22 ILE 95 -8.858 11.130 10.959 787 HG23 ILE 95 HG23 ILE 95 -7.397 12.076 10.674 788 HD11 ILE 95 HD11 ILE 95 -5.911 10.208 8.234 789 HD12 ILE 95 HD12 ILE 95 -4.773 10.373 9.571 790 HD13 ILE 95 HD13 ILE 95 -6.130 11.490 9.428 791 H ASP 96 H ASP 96 -5.287 12.751 13.260 792 HA ASP 96 HA ASP 96 -7.067 12.809 15.467 793 HB2 ASP 96 HB2 ASP 96 -5.378 12.825 17.298 794 HB3 ASP 96 HB3 ASP 96 -5.444 11.268 16.481 795 H ALA 97 H ALA 97 -5.578 14.730 17.072 796 HA ALA 97 HA ALA 97 -6.056 17.114 15.647 797 HB1 ALA 97 HB1 ALA 97 -4.136 16.790 17.966 798 HB2 ALA 97 HB2 ALA 97 -5.887 16.889 18.157 799 HB3 ALA 97 HB3 ALA 97 -4.994 18.254 17.484 800 H ALA 98 H ALA 98 -3.129 15.199 16.144 801 HA ALA 98 HA ALA 98 -1.893 16.540 13.847 802 HB1 ALA 98 HB1 ALA 98 -0.954 17.477 16.016 803 HB2 ALA 98 HB2 ALA 98 0.231 16.759 14.926 804 HB3 ALA 98 HB3 ALA 98 -0.320 15.863 16.342 805 H VAL 99 H VAL 99 -1.231 15.057 12.404 806 HA VAL 99 HA VAL 99 -1.746 12.368 12.552 807 HB VAL 99 HB VAL 99 -1.161 13.567 10.466 808 HG11 VAL 99 HG11 VAL 99 0.845 14.743 11.553 809 HG12 VAL 99 HG12 VAL 99 1.055 14.180 9.895 810 HG13 VAL 99 HG13 VAL 99 1.744 13.261 11.233 811 HG21 VAL 99 HG21 VAL 99 -1.132 11.172 10.315 812 HG22 VAL 99 HG22 VAL 99 0.424 11.070 11.137 813 HG23 VAL 99 HG23 VAL 99 0.333 11.726 9.503 814 H LYS 100 H LYS 100 -0.821 10.558 13.330 815 HA LYS 100 HA LYS 100 1.825 10.783 14.649 816 HB2 LYS 100 HB2 LYS 100 -0.234 10.805 16.225 817 HB3 LYS 100 HB3 LYS 100 -0.401 9.108 15.803 818 HG2 LYS 100 HG2 LYS 100 0.924 9.100 17.779 819 HG3 LYS 100 HG3 LYS 100 2.068 8.842 16.466 820 HD2 LYS 100 HD2 LYS 100 3.071 10.492 17.869 821 HD3 LYS 100 HD3 LYS 100 2.450 11.392 16.493 822 HE2 LYS 100 HE2 LYS 100 0.439 12.008 17.775 823 HE3 LYS 100 HE3 LYS 100 1.017 11.062 19.147 824 HZ1 LYS 100 HZ1 LYS 100 2.788 13.103 18.026 825 HZ2 LYS 100 HZ2 LYS 100 2.622 12.574 19.633 826 HZ3 LYS 100 HZ3 LYS 100 1.470 13.624 18.956 827 H THR 101 H THR 101 3.208 9.118 14.384 828 HA THR 101 HA THR 101 2.403 7.041 12.477 829 HB THR 101 HB THR 101 4.377 8.333 11.874 830 HG1 THR 101 HG1 THR 101 5.227 5.789 12.751 831 HG21 THR 101 HG21 THR 101 5.478 7.365 14.527 832 HG22 THR 101 HG22 THR 101 5.184 9.035 14.045 833 HG23 THR 101 HG23 THR 101 6.458 8.104 13.263 834 H ALA 102 H ALA 102 2.421 4.910 12.858 835 HA ALA 102 HA ALA 102 3.599 3.837 15.311 836 HB1 ALA 102 HB1 ALA 102 0.756 3.109 14.649 837 HB2 ALA 102 HB2 ALA 102 1.125 4.484 15.691 838 HB3 ALA 102 HB3 ALA 102 1.639 2.861 16.156 839 H LEU 103 H LEU 103 4.622 1.990 14.882 840 HA LEU 103 HA LEU 103 4.574 0.852 12.256 841 HB2 LEU 103 HB2 LEU 103 5.986 0.107 14.814 842 HB3 LEU 103 HB3 LEU 103 6.071 -0.911 13.381 843 HG LEU 103 HG LEU 103 6.787 1.205 12.105 844 HD11 LEU 103 HD11 LEU 103 6.201 2.946 13.623 845 HD12 LEU 103 HD12 LEU 103 7.961 2.870 13.674 846 HD13 LEU 103 HD13 LEU 103 7.008 2.146 14.971 847 HD21 LEU 103 HD21 LEU 103 9.150 0.998 12.932 848 HD22 LEU 103 HD22 LEU 103 8.385 -0.563 12.634 849 HD23 LEU 103 HD23 LEU 103 8.553 0.036 14.284 850 H GLN 104 H GLN 104 3.917 -1.129 11.552 851 HA GLN 104 HA GLN 104 1.993 -2.564 13.280 852 HB2 GLN 104 HB2 GLN 104 0.691 -3.096 11.287 853 HB3 GLN 104 HB3 GLN 104 0.925 -1.353 11.350 854 HG2 GLN 104 HG2 GLN 104 3.072 -1.944 9.848 855 HG3 GLN 104 HG3 GLN 104 2.100 -3.363 9.465 856 HE21 GLN 104 HE21 GLN 104 -0.469 -2.415 9.237 857 HE22 GLN 104 HE22 GLN 104 -0.561 -1.192 8.059 858 H ASP 105 H ASP 105 2.036 -4.836 13.200 859 HA ASP 105 HA ASP 105 4.606 -5.963 12.349 860 HB2 ASP 105 HB2 ASP 105 3.865 -6.322 14.679 861 HB3 ASP 105 HB3 ASP 105 2.438 -7.167 14.084 862 H VAL 106 H VAL 106 4.756 -7.010 10.441 863 HA VAL 106 HA VAL 106 2.426 -7.658 8.920 864 HB VAL 106 HB VAL 106 5.309 -8.562 8.501 865 HG11 VAL 106 HG11 VAL 106 4.689 -9.128 6.262 866 HG12 VAL 106 HG12 VAL 106 3.116 -8.349 6.411 867 HG13 VAL 106 HG13 VAL 106 3.444 -9.850 7.280 868 HG21 VAL 106 HG21 VAL 106 5.549 -6.652 7.057 869 HG22 VAL 106 HG22 VAL 106 4.835 -6.045 8.552 870 HG23 VAL 106 HG23 VAL 106 3.821 -6.300 7.132 871 H GLU 107 H GLU 107 1.081 -9.256 9.427 872 HA GLU 107 HA GLU 107 1.814 -11.455 11.091 873 HB2 GLU 107 HB2 GLU 107 -0.502 -10.404 10.886 874 HB3 GLU 107 HB3 GLU 107 -0.652 -11.275 9.358 875 HG2 GLU 107 HG2 GLU 107 0.156 -12.776 11.851 876 HG3 GLU 107 HG3 GLU 107 -1.537 -12.392 11.564 877 H SER 108 H SER 108 1.237 -11.034 7.603 878 HA SER 108 HA SER 108 3.065 -13.063 6.836 879 HB2 SER 108 HB2 SER 108 1.456 -14.651 5.882 880 HB3 SER 108 HB3 SER 108 1.438 -14.639 7.645 881 HG SER 108 HG SER 108 -0.669 -14.503 7.021 882 H ILE 109 H ILE 109 2.816 -13.680 4.490 883 HA ILE 109 HA ILE 109 1.481 -11.576 2.907 884 HB ILE 109 HB ILE 109 4.160 -12.882 2.290 885 HG12 ILE 109 HG12 ILE 109 3.506 -9.955 2.647 886 HG13 ILE 109 HG13 ILE 109 3.996 -10.948 4.018 887 HG21 ILE 109 HG21 ILE 109 2.578 -12.418 0.286 888 HG22 ILE 109 HG22 ILE 109 4.169 -11.666 0.213 889 HG23 ILE 109 HG23 ILE 109 2.764 -10.710 0.678 890 HD11 ILE 109 HD11 ILE 109 6.053 -11.591 2.615 891 HD12 ILE 109 HD12 ILE 109 6.014 -9.929 3.199 892 HD13 ILE 109 HD13 ILE 109 5.590 -10.287 1.523 893 H GLU 110 H GLU 110 -0.122 -12.416 1.704 894 HA GLU 110 HA GLU 110 0.170 -15.206 0.703 895 HB2 GLU 110 HB2 GLU 110 -2.136 -14.022 2.230 896 HB3 GLU 110 HB3 GLU 110 -2.429 -15.301 1.053 897 HG2 GLU 110 HG2 GLU 110 -2.112 -16.346 3.219 898 HG3 GLU 110 HG3 GLU 110 -0.691 -16.693 2.238 899 H LYS 111 H LYS 111 0.364 -15.003 -1.424 900 HA LYS 111 HA LYS 111 -0.838 -12.830 -2.824 901 HB2 LYS 111 HB2 LYS 111 0.119 -13.831 -4.859 902 HB3 LYS 111 HB3 LYS 111 1.314 -13.723 -3.568 903 HG2 LYS 111 HG2 LYS 111 0.895 -16.083 -2.996 904 HG3 LYS 111 HG3 LYS 111 -0.272 -16.197 -4.312 905 HD2 LYS 111 HD2 LYS 111 1.493 -15.590 -5.933 906 HD3 LYS 111 HD3 LYS 111 2.667 -15.522 -4.621 907 HE2 LYS 111 HE2 LYS 111 1.062 -17.985 -5.374 908 HE3 LYS 111 HE3 LYS 111 2.740 -17.694 -5.835 909 HZ1 LYS 111 HZ1 LYS 111 1.662 -17.988 -3.085 910 HZ2 LYS 111 HZ2 LYS 111 3.250 -17.491 -3.431 911 HZ3 LYS 111 HZ3 LYS 111 2.721 -19.041 -3.888 912 H LEU 112 H LEU 112 -2.558 -12.674 -4.009 913 HA LEU 112 HA LEU 112 -4.522 -14.858 -3.981 914 HB2 LEU 112 HB2 LEU 112 -4.664 -11.899 -4.500 915 HB3 LEU 112 HB3 LEU 112 -5.939 -12.963 -5.089 916 HG LEU 112 HG LEU 112 -6.141 -13.859 -2.716 917 HD11 LEU 112 HD11 LEU 112 -5.285 -12.302 -0.937 918 HD12 LEU 112 HD12 LEU 112 -4.367 -11.454 -2.181 919 HD13 LEU 112 HD13 LEU 112 -4.003 -13.141 -1.811 920 HD21 LEU 112 HD21 LEU 112 -7.711 -12.209 -3.690 921 HD22 LEU 112 HD22 LEU 112 -6.658 -10.900 -3.151 922 HD23 LEU 112 HD23 LEU 112 -7.472 -11.924 -1.965 923 H GLY 113 H GLY 113 -2.069 -13.760 -6.017 924 HA2 GLY 113 HA2 GLY 113 -1.493 -14.593 -8.098 925 HA3 GLY 113 HA3 GLY 113 -3.097 -15.271 -8.241 926 H VAL 114 H VAL 114 -3.201 -14.507 -10.387 927 HA VAL 114 HA VAL 114 -2.874 -11.804 -11.130 928 HB VAL 114 HB VAL 114 -4.494 -13.995 -12.482 929 HG11 VAL 114 HG11 VAL 114 -4.220 -12.664 -14.528 930 HG12 VAL 114 HG12 VAL 114 -3.373 -11.414 -13.614 931 HG13 VAL 114 HG13 VAL 114 -5.079 -11.733 -13.301 932 HG21 VAL 114 HG21 VAL 114 -1.619 -13.079 -12.835 933 HG22 VAL 114 HG22 VAL 114 -2.441 -14.216 -13.902 934 HG23 VAL 114 HG23 VAL 114 -2.152 -14.642 -12.215 935 H ASN 115 H ASN 115 -4.103 -10.103 -10.810 936 HA ASN 115 HA ASN 115 -7.013 -10.333 -10.538 937 HB2 ASN 115 HB2 ASN 115 -5.175 -9.101 -8.486 938 HB3 ASN 115 HB3 ASN 115 -6.868 -8.650 -8.618 939 HD21 ASN 115 HD21 ASN 115 -5.848 -9.904 -6.265 940 HD22 ASN 115 HD22 ASN 115 -6.528 -11.459 -6.139 941 H HIS 116 H HIS 116 -8.000 -8.072 -10.455 942 HA HIS 116 HA HIS 116 -6.795 -6.465 -12.573 943 HB2 HIS 116 HB2 HIS 116 -9.411 -6.147 -11.066 944 HB3 HIS 116 HB3 HIS 116 -8.886 -5.124 -12.403 945 HD2 HIS 116 HD2 HIS 116 -10.777 -8.408 -11.899 946 HE1 HIS 116 HE1 HIS 116 -9.558 -8.383 -15.942 947 HE2 HIS 116 HE2 HIS 116 -11.042 -9.540 -14.237 948 H VAL 117 H VAL 117 -5.277 -5.086 -12.020 949 HA VAL 117 HA VAL 117 -5.378 -3.793 -9.368 950 HB VAL 117 HB VAL 117 -2.878 -3.239 -9.977 951 HG11 VAL 117 HG11 VAL 117 -2.242 -5.633 -9.146 952 HG12 VAL 117 HG12 VAL 117 -3.987 -5.865 -9.034 953 HG13 VAL 117 HG13 VAL 117 -3.206 -4.574 -8.114 954 HG21 VAL 117 HG21 VAL 117 -3.083 -5.822 -11.543 955 HG22 VAL 117 HG22 VAL 117 -1.779 -4.632 -11.549 956 HG23 VAL 117 HG23 VAL 117 -3.305 -4.278 -12.357 957 H TYR 118 H TYR 118 -5.287 -1.687 -9.081 958 HA TYR 118 HA TYR 118 -5.026 0.126 -11.380 959 HB2 TYR 118 HB2 TYR 118 -7.178 0.384 -9.244 960 HB3 TYR 118 HB3 TYR 118 -6.937 1.428 -10.640 961 HD1 TYR 118 HD1 TYR 118 -8.305 -1.724 -9.445 962 HD2 TYR 118 HD2 TYR 118 -7.387 0.561 -12.952 963 HE1 TYR 118 HE1 TYR 118 -9.760 -3.215 -10.777 964 HE2 TYR 118 HE2 TYR 118 -8.845 -0.929 -14.306 965 HH TYR 118 HH TYR 118 -11.053 -2.557 -13.504 966 H ASP 119 H ASP 119 -4.149 2.176 -10.777 967 HA ASP 119 HA ASP 119 -3.692 2.823 -8.010 968 HB2 ASP 119 HB2 ASP 119 -1.954 1.033 -8.643 969 HB3 ASP 119 HB3 ASP 119 -1.189 2.308 -9.603 970 H ILE 120 H ILE 120 -2.582 4.882 -7.727 971 HA ILE 120 HA ILE 120 -2.609 6.555 -10.164 972 HB ILE 120 HB ILE 120 -4.686 6.933 -8.967 973 HG12 ILE 120 HG12 ILE 120 -3.314 9.466 -8.138 974 HG13 ILE 120 HG13 ILE 120 -2.934 8.992 -9.766 975 HG21 ILE 120 HG21 ILE 120 -4.582 7.951 -6.641 976 HG22 ILE 120 HG22 ILE 120 -2.883 7.475 -6.598 977 HG23 ILE 120 HG23 ILE 120 -4.139 6.246 -6.743 978 HD11 ILE 120 HD11 ILE 120 -4.878 10.360 -9.943 979 HD12 ILE 120 HD12 ILE 120 -5.668 9.541 -8.598 980 HD13 ILE 120 HD13 ILE 120 -5.463 8.708 -10.139 981 H GLU 121 H GLU 121 -1.207 8.219 -10.311 982 HA GLU 121 HA GLU 121 1.182 8.014 -8.666 983 HB2 GLU 121 HB2 GLU 121 0.602 9.490 -11.235 984 HB3 GLU 121 HB3 GLU 121 2.171 9.438 -10.447 985 HG2 GLU 121 HG2 GLU 121 2.151 6.952 -10.643 986 HG3 GLU 121 HG3 GLU 121 0.612 7.054 -11.496 987 H VAL 122 H VAL 122 2.261 9.872 -7.832 988 HA VAL 122 HA VAL 122 0.511 12.202 -7.373 989 HB VAL 122 HB VAL 122 1.596 12.532 -5.188 990 HG11 VAL 122 HG11 VAL 122 -0.508 11.209 -5.408 991 HG12 VAL 122 HG12 VAL 122 0.462 10.740 -4.013 992 HG13 VAL 122 HG13 VAL 122 0.466 9.740 -5.464 993 HG21 VAL 122 HG21 VAL 122 3.737 11.391 -5.692 994 HG22 VAL 122 HG22 VAL 122 2.893 9.842 -5.739 995 HG23 VAL 122 HG23 VAL 122 2.987 10.752 -4.230 996 H GLU 123 H GLU 123 1.647 14.255 -7.107 997 HA GLU 123 HA GLU 123 4.012 14.292 -8.881 998 HB2 GLU 123 HB2 GLU 123 3.354 16.616 -9.455 999 HB3 GLU 123 HB3 GLU 123 2.161 15.395 -9.876 1000 HG2 GLU 123 HG2 GLU 123 0.824 17.038 -8.905 1001 HG3 GLU 123 HG3 GLU 123 1.111 15.986 -7.532 1002 H HIS 124 H HIS 124 4.065 14.174 -5.778 1003 HA HIS 124 HA HIS 124 5.937 16.477 -5.514 1004 HB2 HIS 124 HB2 HIS 124 3.835 15.464 -3.672 1005 HB3 HIS 124 HB3 HIS 124 5.341 15.985 -2.921 1006 HD2 HIS 124 HD2 HIS 124 2.077 17.551 -3.912 1007 HE1 HIS 124 HE1 HIS 124 4.870 20.701 -4.211 1008 HE2 HIS 124 HE2 HIS 124 2.396 20.130 -4.146 1009 H ASN 125 H ASN 125 5.312 13.413 -3.722 1010 HA ASN 125 HA ASN 125 8.240 12.966 -3.767 1011 HB2 ASN 125 HB2 ASN 125 7.104 13.326 -1.504 1012 HB3 ASN 125 HB3 ASN 125 6.392 11.728 -1.733 1013 HD21 ASN 125 HD21 ASN 125 7.726 11.035 0.193 1014 HD22 ASN 125 HD22 ASN 125 9.372 10.687 -0.020 1015 H HIS 126 H HIS 126 5.641 11.922 -5.399 1016 HA HIS 126 HA HIS 126 5.089 10.062 -6.597 1017 HB2 HIS 126 HB2 HIS 126 8.096 9.801 -6.478 1018 HB3 HIS 126 HB3 HIS 126 7.092 8.690 -7.409 1019 HD2 HIS 126 HD2 HIS 126 8.641 12.196 -7.821 1020 HE1 HIS 126 HE1 HIS 126 5.763 11.780 -10.889 1021 HE2 HIS 126 HE2 HIS 126 7.699 13.199 -10.044 1022 H ASN 127 H ASN 127 4.519 9.650 -3.910 1023 HA ASN 127 HA ASN 127 4.448 6.765 -3.918 1024 HB2 ASN 127 HB2 ASN 127 5.370 6.383 -1.731 1025 HB3 ASN 127 HB3 ASN 127 6.561 7.295 -2.652 1026 HD21 ASN 127 HD21 ASN 127 7.120 9.393 -1.889 1027 HD22 ASN 127 HD22 ASN 127 6.447 10.071 -0.486 1028 H PHE 128 H PHE 128 2.988 5.913 -2.179 1029 HA PHE 128 HA PHE 128 1.142 7.810 -0.985 1030 HB2 PHE 128 HB2 PHE 128 -0.861 6.892 -2.071 1031 HB3 PHE 128 HB3 PHE 128 0.224 7.600 -3.264 1032 HD1 PHE 128 HD1 PHE 128 -1.134 4.456 -1.895 1033 HD2 PHE 128 HD2 PHE 128 1.448 6.194 -4.854 1034 HE1 PHE 128 HE1 PHE 128 -1.044 2.287 -3.088 1035 HE2 PHE 128 HE2 PHE 128 1.533 4.021 -6.048 1036 HZ PHE 128 HZ PHE 128 0.292 2.069 -5.163 1037 H VAL 129 H VAL 129 -0.493 6.741 0.385 1038 HA VAL 129 HA VAL 129 0.582 4.213 1.491 1039 HB VAL 129 HB VAL 129 -1.181 6.302 2.827 1040 HG11 VAL 129 HG11 VAL 129 -0.728 5.036 4.900 1041 HG12 VAL 129 HG12 VAL 129 0.191 3.847 3.977 1042 HG13 VAL 129 HG13 VAL 129 -1.543 4.020 3.710 1043 HG21 VAL 129 HG21 VAL 129 1.194 7.021 2.384 1044 HG22 VAL 129 HG22 VAL 129 1.745 5.632 3.322 1045 HG23 VAL 129 HG23 VAL 129 0.811 6.909 4.103 1046 H ALA 130 H ALA 130 -0.531 2.432 1.023 1047 HA ALA 130 HA ALA 130 -3.379 2.652 0.318 1048 HB1 ALA 130 HB1 ALA 130 -1.461 0.375 -0.197 1049 HB2 ALA 130 HB2 ALA 130 -1.873 1.631 -1.365 1050 HB3 ALA 130 HB3 ALA 130 -3.115 0.514 -0.798 1051 H ASN 131 H ASN 131 -4.792 2.105 1.811 1052 HA ASN 131 HA ASN 131 -5.721 1.247 3.717 1053 HB2 ASN 131 HB2 ASN 131 -5.522 -0.742 2.118 1054 HB3 ASN 131 HB3 ASN 131 -4.138 -1.233 3.092 1055 HD21 ASN 131 HD21 ASN 131 -6.768 -2.639 2.838 1056 HD22 ASN 131 HD22 ASN 131 -7.388 -2.731 4.413 1057 H GLY 132 H GLY 132 -3.406 2.770 4.228 1058 HA2 GLY 132 HA2 GLY 132 -2.293 3.343 6.187 1059 HA3 GLY 132 HA3 GLY 132 -2.721 1.779 6.858 1060 H LEU 133 H LEU 133 -1.335 1.187 3.870 1061 HA LEU 133 HA LEU 133 1.321 0.736 5.093 1062 HB2 LEU 133 HB2 LEU 133 0.147 -1.335 4.388 1063 HB3 LEU 133 HB3 LEU 133 0.010 -0.718 2.748 1064 HG LEU 133 HG LEU 133 2.554 -0.577 2.710 1065 HD11 LEU 133 HD11 LEU 133 2.330 -2.382 5.133 1066 HD12 LEU 133 HD12 LEU 133 2.793 -0.686 5.229 1067 HD13 LEU 133 HD13 LEU 133 3.809 -1.829 4.355 1068 HD21 LEU 133 HD21 LEU 133 1.473 -2.382 1.542 1069 HD22 LEU 133 HD22 LEU 133 1.134 -3.232 3.050 1070 HD23 LEU 133 HD23 LEU 133 2.792 -3.100 2.466 1071 H LEU 134 H LEU 134 2.886 2.108 4.431 1072 HA LEU 134 HA LEU 134 2.522 3.837 2.182 1073 HB2 LEU 134 HB2 LEU 134 3.753 4.698 4.079 1074 HB3 LEU 134 HB3 LEU 134 4.924 3.391 3.981 1075 HG LEU 134 HG LEU 134 5.705 4.257 1.775 1076 HD11 LEU 134 HD11 LEU 134 3.531 5.318 1.098 1077 HD12 LEU 134 HD12 LEU 134 4.922 6.376 0.886 1078 HD13 LEU 134 HD13 LEU 134 3.842 6.610 2.263 1079 HD21 LEU 134 HD21 LEU 134 5.668 6.578 3.714 1080 HD22 LEU 134 HD22 LEU 134 6.968 6.074 2.639 1081 HD23 LEU 134 HD23 LEU 134 6.580 5.114 4.063 1082 H VAL 135 H VAL 135 3.062 3.613 0.160 1083 HA VAL 135 HA VAL 135 4.825 1.380 -0.648 1084 HB VAL 135 HB VAL 135 2.202 2.210 -1.942 1085 HG11 VAL 135 HG11 VAL 135 2.614 0.052 -3.269 1086 HG12 VAL 135 HG12 VAL 135 4.285 0.160 -2.717 1087 HG13 VAL 135 HG13 VAL 135 3.599 1.448 -3.705 1088 HG21 VAL 135 HG21 VAL 135 3.012 -0.112 -0.175 1089 HG22 VAL 135 HG22 VAL 135 1.635 -0.249 -1.269 1090 HG23 VAL 135 HG23 VAL 135 1.634 0.971 0.003 1091 H HIS 136 H HIS 136 6.338 1.837 -2.112 1092 HA HIS 136 HA HIS 136 6.749 4.532 -3.074 1093 HB2 HIS 136 HB2 HIS 136 8.673 3.110 -2.438 1094 HB3 HIS 136 HB3 HIS 136 8.248 1.953 -3.680 1095 HD2 HIS 136 HD2 HIS 136 9.500 2.512 -6.100 1096 HE1 HIS 136 HE1 HIS 136 10.503 6.541 -5.333 1097 HE2 HIS 136 HE2 HIS 136 10.726 4.636 -6.998 1098 H ASN 137 H ASN 137 6.288 5.336 -5.080 1099 HA ASN 137 HA ASN 137 5.885 3.740 -7.399 1100 HB2 ASN 137 HB2 ASN 137 3.786 3.160 -6.258 1101 HB3 ASN 137 HB3 ASN 137 3.373 4.869 -6.141 1102 HD21 ASN 137 HD21 ASN 137 1.924 5.465 -7.747 1103 HD22 ASN 137 HD22 ASN 137 1.894 4.830 -9.322
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