NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
636877 | 6g4a | 34249 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -17.289 -14.147 -14.134 2 H2 MET 1 H2 MET 1 -18.275 -12.909 -13.540 3 H3 MET 1 H3 MET 1 -17.534 -12.693 -14.870 4 HA MET 1 HA MET 1 -16.302 -12.753 -12.207 5 HB2 MET 1 HB2 MET 1 -14.925 -14.004 -14.066 6 HB3 MET 1 HB3 MET 1 -14.967 -12.492 -14.920 7 HG2 MET 1 HG2 MET 1 -12.882 -12.982 -13.775 8 HG3 MET 1 HG3 MET 1 -13.629 -11.494 -13.236 9 HE1 MET 1 HE1 MET 1 -11.408 -12.223 -11.123 10 HE2 MET 1 HE2 MET 1 -12.560 -10.957 -11.293 11 HE3 MET 1 HE3 MET 1 -12.335 -11.951 -9.745 12 H HIS 2 H HIS 2 -16.299 -10.684 -11.412 13 HA HIS 2 HA HIS 2 -17.580 -8.611 -13.110 14 HB2 HIS 2 HB2 HIS 2 -18.022 -8.684 -10.697 15 HB3 HIS 2 HB3 HIS 2 -16.322 -8.265 -10.300 16 HD1 HIS 2 HD1 HIS 2 -15.727 -5.902 -10.156 17 HD2 HIS 2 HD2 HIS 2 -19.364 -6.734 -12.148 18 HE1 HIS 2 HE1 HIS 2 -16.726 -3.604 -11.148 19 H HIS 3 H HIS 3 -14.342 -8.673 -11.498 20 HA HIS 3 HA HIS 3 -13.291 -6.684 -13.129 21 HB2 HIS 3 HB2 HIS 3 -12.491 -7.046 -11.007 22 HB3 HIS 3 HB3 HIS 3 -12.107 -8.766 -11.307 23 HD1 HIS 3 HD1 HIS 3 -10.433 -5.546 -10.888 24 HD2 HIS 3 HD2 HIS 3 -9.990 -8.903 -13.413 25 HE1 HIS 3 HE1 HIS 3 -8.070 -5.581 -11.785 26 H HIS 4 H HIS 4 -12.913 -6.994 -15.320 27 HA HIS 4 HA HIS 4 -11.532 -9.215 -16.548 28 HB2 HIS 4 HB2 HIS 4 -13.946 -10.112 -16.394 29 HB3 HIS 4 HB3 HIS 4 -14.446 -8.592 -17.019 30 HD1 HIS 4 HD1 HIS 4 -12.085 -11.515 -18.156 31 HD2 HIS 4 HD2 HIS 4 -14.464 -8.389 -19.614 32 HE1 HIS 4 HE1 HIS 4 -12.227 -11.784 -20.730 33 H HIS 5 H HIS 5 -10.469 -8.595 -18.325 34 HA HIS 5 HA HIS 5 -10.966 -5.934 -19.339 35 HB2 HIS 5 HB2 HIS 5 -8.954 -7.944 -20.259 36 HB3 HIS 5 HB3 HIS 5 -9.165 -6.254 -20.752 37 HD1 HIS 5 HD1 HIS 5 -8.132 -4.539 -19.182 38 HD2 HIS 5 HD2 HIS 5 -8.198 -8.430 -17.470 39 HE1 HIS 5 HE1 HIS 5 -6.084 -4.766 -17.490 40 H HIS 6 H HIS 6 -12.673 -5.663 -20.425 41 HA HIS 6 HA HIS 6 -13.727 -7.563 -22.392 42 HB2 HIS 6 HB2 HIS 6 -15.341 -6.432 -20.988 43 HB3 HIS 6 HB3 HIS 6 -14.585 -4.894 -21.143 44 HD1 HIS 6 HD1 HIS 6 -16.142 -7.203 -23.970 45 HD2 HIS 6 HD2 HIS 6 -15.966 -3.207 -22.617 46 HE1 HIS 6 HE1 HIS 6 -17.296 -5.785 -25.620 47 H HIS 7 H HIS 7 -12.012 -4.395 -22.285 48 HA HIS 7 HA HIS 7 -11.720 -4.582 -25.152 49 HB2 HIS 7 HB2 HIS 7 -13.929 -3.296 -24.365 50 HB3 HIS 7 HB3 HIS 7 -12.899 -2.174 -23.553 51 HD1 HIS 7 HD1 HIS 7 -12.067 -0.130 -25.032 52 HD2 HIS 7 HD2 HIS 7 -13.410 -3.393 -27.307 53 HE1 HIS 7 HE1 HIS 7 -12.019 0.449 -27.561 54 H ALA 8 H ALA 8 -10.299 -2.748 -26.128 55 HA ALA 8 HA ALA 8 -7.987 -2.452 -24.484 56 HB1 ALA 8 HB1 ALA 8 -7.135 -1.779 -26.755 57 HB2 ALA 8 HB2 ALA 8 -7.817 -3.286 -26.902 58 HB3 ALA 8 HB3 ALA 8 -8.833 -1.856 -27.347 59 H SER 9 H SER 9 -10.039 -0.882 -23.524 60 HA SER 9 HA SER 9 -8.419 1.492 -23.156 61 HB2 SER 9 HB2 SER 9 -10.631 3.003 -23.318 62 HB3 SER 9 HB3 SER 9 -9.934 2.439 -24.835 63 HG SER 9 HG SER 9 -12.233 2.268 -24.416 64 H LYS 10 H LYS 10 -9.008 2.810 -21.138 65 HA LYS 10 HA LYS 10 -10.405 1.085 -19.245 66 HB2 LYS 10 HB2 LYS 10 -7.526 1.731 -19.068 67 HB3 LYS 10 HB3 LYS 10 -8.556 1.488 -17.661 68 HG2 LYS 10 HG2 LYS 10 -9.297 -0.795 -18.824 69 HG3 LYS 10 HG3 LYS 10 -7.822 -0.470 -19.780 70 HD2 LYS 10 HD2 LYS 10 -7.810 -1.056 -16.724 71 HD3 LYS 10 HD3 LYS 10 -7.384 -2.011 -18.039 72 HE2 LYS 10 HE2 LYS 10 -5.556 -0.906 -18.724 73 HE3 LYS 10 HE3 LYS 10 -6.088 0.593 -18.048 74 HZ1 LYS 10 HZ1 LYS 10 -5.730 -0.635 -15.759 75 HZ2 LYS 10 HZ2 LYS 10 -5.053 -1.816 -16.563 76 HZ3 LYS 10 HZ3 LYS 10 -4.410 -0.295 -16.599 77 HA PRO 11 HA PRO 11 -11.133 5.273 -17.861 78 HB2 PRO 11 HB3 PRO 11 -12.906 4.951 -15.844 79 HB3 PRO 11 HB2 PRO 11 -13.333 4.498 -17.570 80 HG2 PRO 11 HG3 PRO 11 -12.285 2.723 -15.461 81 HG3 PRO 11 HG2 PRO 11 -13.769 2.357 -16.349 82 HD2 PRO 11 HD3 PRO 11 -11.332 1.328 -16.800 83 HD3 PRO 11 HD2 PRO 11 -12.296 1.591 -18.267 84 H ALA 12 H ALA 12 -10.756 6.529 -15.674 85 HA ALA 12 HA ALA 12 -8.114 5.454 -14.830 86 HB1 ALA 12 HB1 ALA 12 -7.750 7.307 -16.022 87 HB2 ALA 12 HB2 ALA 12 -9.083 8.242 -15.193 88 HB3 ALA 12 HB3 ALA 12 -7.490 7.841 -14.415 89 HA PRO 13 HA PRO 13 -9.540 5.481 -10.450 90 HB2 PRO 13 HB3 PRO 13 -6.618 5.454 -10.580 91 HB3 PRO 13 HB2 PRO 13 -7.580 4.569 -9.262 92 HG2 PRO 13 HG3 PRO 13 -6.643 3.105 -11.213 93 HG3 PRO 13 HG2 PRO 13 -8.446 3.031 -10.936 94 HD2 PRO 13 HD3 PRO 13 -6.962 4.652 -13.041 95 HD3 PRO 13 HD2 PRO 13 -8.401 3.726 -13.298 96 H SER 14 H SER 14 -9.379 6.924 -8.775 97 HA SER 14 HA SER 14 -8.267 9.699 -9.320 98 HB2 SER 14 HB2 SER 14 -11.142 9.368 -8.580 99 HB3 SER 14 HB3 SER 14 -10.240 10.704 -9.206 100 HG SER 14 HG SER 14 -11.249 8.586 -10.677 101 H ALA 15 H ALA 15 -8.387 11.007 -7.756 102 HA ALA 15 HA ALA 15 -7.467 9.958 -5.472 103 HB1 ALA 15 HB1 ALA 15 -7.048 12.167 -4.657 104 HB2 ALA 15 HB2 ALA 15 -6.702 12.120 -6.404 105 HB3 ALA 15 HB3 ALA 15 -8.187 12.960 -5.695 106 H GLU 16 H GLU 16 -10.773 11.431 -5.743 107 HA GLU 16 HA GLU 16 -11.678 11.096 -3.105 108 HB2 GLU 16 HB2 GLU 16 -12.842 10.985 -5.930 109 HB3 GLU 16 HB3 GLU 16 -13.878 10.870 -4.505 110 HG2 GLU 16 HG2 GLU 16 -12.163 13.307 -5.242 111 HG3 GLU 16 HG3 GLU 16 -13.884 13.111 -5.370 112 H HIS 17 H HIS 17 -10.944 8.813 -5.743 113 HA HIS 17 HA HIS 17 -12.766 6.647 -4.993 114 HB2 HIS 17 HB2 HIS 17 -11.716 7.561 -7.642 115 HB3 HIS 17 HB3 HIS 17 -12.869 6.246 -7.113 116 HD1 HIS 17 HD1 HIS 17 -14.801 8.005 -5.110 117 HD2 HIS 17 HD2 HIS 17 -13.272 9.110 -8.925 118 HE1 HIS 17 HE1 HIS 17 -16.137 9.924 -5.936 119 H SER 18 H SER 18 -9.786 7.247 -4.221 120 HA SER 18 HA SER 18 -9.371 4.342 -4.095 121 HB2 SER 18 HB2 SER 18 -8.287 4.952 -6.251 122 HB3 SER 18 HB3 SER 18 -7.312 6.105 -5.325 123 HG SER 18 HG SER 18 -6.360 4.222 -4.367 124 H TYR 19 H TYR 19 -8.036 3.630 -2.623 125 HA TYR 19 HA TYR 19 -7.471 5.000 -0.535 126 HB2 TYR 19 HB2 TYR 19 -10.348 4.316 -0.212 127 HB3 TYR 19 HB3 TYR 19 -9.273 4.372 1.237 128 HD1 TYR 19 HD1 TYR 19 -11.365 6.199 -0.790 129 HD2 TYR 19 HD2 TYR 19 -7.746 6.606 1.575 130 HE1 TYR 19 HE1 TYR 19 -11.607 8.856 -0.593 131 HE2 TYR 19 HE2 TYR 19 -8.151 8.955 1.783 132 HH TYR 19 HH TYR 19 -9.378 10.820 1.173 133 H ALA 20 H ALA 20 -6.750 3.692 1.127 134 HA ALA 20 HA ALA 20 -6.727 0.839 0.553 135 HB1 ALA 20 HB1 ALA 20 -4.797 1.744 -0.596 136 HB2 ALA 20 HB2 ALA 20 -4.180 2.425 0.988 137 HB3 ALA 20 HB3 ALA 20 -4.222 0.703 0.800 138 H GLU 21 H GLU 21 -5.997 -0.793 2.016 139 HA GLU 21 HA GLU 21 -5.737 0.084 4.687 140 HB2 GLU 21 HB2 GLU 21 -7.853 -1.223 5.340 141 HB3 GLU 21 HB3 GLU 21 -8.211 0.183 4.249 142 HG2 GLU 21 HG2 GLU 21 -8.440 -1.464 2.369 143 HG3 GLU 21 HG3 GLU 21 -7.964 -2.686 3.401 144 H GLY 22 H GLY 22 -5.279 -1.407 6.375 145 HA2 GLY 22 HA2 GLY 22 -5.396 -3.928 6.951 146 HA3 GLY 22 HA3 GLY 22 -4.346 -4.094 5.547 147 H GLU 23 H GLU 23 -3.255 -5.240 7.217 148 HA GLU 23 HA GLU 23 -2.072 -4.036 9.393 149 HB2 GLU 23 HB2 GLU 23 -2.458 -6.406 8.972 150 HB3 GLU 23 HB3 GLU 23 -1.155 -6.187 7.699 151 HG2 GLU 23 HG2 GLU 23 0.490 -6.158 9.392 152 HG3 GLU 23 HG3 GLU 23 -0.686 -5.886 10.723 153 H GLY 24 H GLY 24 -0.568 -4.312 6.157 154 HA2 GLY 24 HA2 GLY 24 1.870 -3.097 6.733 155 HA3 GLY 24 HA3 GLY 24 0.969 -3.183 5.149 156 H LEU 25 H LEU 25 -1.044 -1.404 7.114 157 HA LEU 25 HA LEU 25 0.395 1.119 6.936 158 HB2 LEU 25 HB2 LEU 25 -2.471 0.393 6.290 159 HB3 LEU 25 HB3 LEU 25 -2.083 2.072 6.786 160 HG LEU 25 HG LEU 25 -0.913 0.481 4.427 161 HD11 LEU 25 HD11 LEU 25 -3.265 1.184 3.905 162 HD12 LEU 25 HD12 LEU 25 -2.941 2.761 4.772 163 HD13 LEU 25 HD13 LEU 25 -2.323 2.460 3.237 164 HD21 LEU 25 HD21 LEU 25 -0.116 2.696 3.606 165 HD22 LEU 25 HD22 LEU 25 -0.327 3.259 5.334 166 HD23 LEU 25 HD23 LEU 25 0.792 1.961 4.906 167 H VAL 26 H VAL 26 -0.332 -1.248 9.080 168 HA VAL 26 HA VAL 26 -0.622 0.724 11.286 169 HB VAL 26 HB VAL 26 -1.297 -2.154 11.518 170 HG11 VAL 26 HG11 VAL 26 -0.976 -1.151 13.596 171 HG12 VAL 26 HG12 VAL 26 -1.931 0.265 13.199 172 HG13 VAL 26 HG13 VAL 26 -2.763 -1.307 13.345 173 HG21 VAL 26 HG21 VAL 26 -2.819 -1.012 9.800 174 HG22 VAL 26 HG22 VAL 26 -3.723 -1.545 11.069 175 HG23 VAL 26 HG23 VAL 26 -3.234 0.186 10.944 176 H LYS 27 H LYS 27 1.251 -2.329 10.399 177 HA LYS 27 HA LYS 27 3.396 -1.431 12.049 178 HB2 LYS 27 HB2 LYS 27 3.250 -3.447 13.487 179 HB3 LYS 27 HB3 LYS 27 1.887 -2.362 13.731 180 HG2 LYS 27 HG2 LYS 27 0.493 -3.762 12.246 181 HG3 LYS 27 HG3 LYS 27 1.867 -4.981 12.151 182 HD2 LYS 27 HD2 LYS 27 1.741 -5.436 14.386 183 HD3 LYS 27 HD3 LYS 27 0.596 -4.121 14.794 184 HE2 LYS 27 HE2 LYS 27 -1.094 -4.940 13.152 185 HE3 LYS 27 HE3 LYS 27 -0.022 -6.223 12.703 186 HZ1 LYS 27 HZ1 LYS 27 -0.212 -7.138 14.974 187 HZ2 LYS 27 HZ2 LYS 27 -1.039 -5.815 15.484 188 HZ3 LYS 27 HZ3 LYS 27 -1.674 -6.916 14.410 189 H VAL 28 H VAL 28 5.409 -2.391 11.435 190 HA VAL 28 HA VAL 28 5.334 -4.466 9.413 191 HB VAL 28 HB VAL 28 6.536 -1.655 9.184 192 HG11 VAL 28 HG11 VAL 28 7.140 -2.236 6.991 193 HG12 VAL 28 HG12 VAL 28 7.829 -3.308 8.074 194 HG13 VAL 28 HG13 VAL 28 6.460 -3.974 7.141 195 HG21 VAL 28 HG21 VAL 28 4.954 -1.212 7.322 196 HG22 VAL 28 HG22 VAL 28 3.914 -2.512 8.140 197 HG23 VAL 28 HG23 VAL 28 4.362 -1.118 8.954 198 H PHE 29 H PHE 29 7.155 -5.717 9.489 199 HA PHE 29 HA PHE 29 9.341 -4.977 11.303 200 HB2 PHE 29 HB2 PHE 29 7.970 -7.702 10.845 201 HB3 PHE 29 HB3 PHE 29 9.029 -7.277 12.246 202 HD1 PHE 29 HD1 PHE 29 8.172 -5.723 13.898 203 HD2 PHE 29 HD2 PHE 29 5.612 -7.645 11.104 204 HE1 PHE 29 HE1 PHE 29 6.254 -5.081 15.275 205 HE2 PHE 29 HE2 PHE 29 3.668 -7.205 12.636 206 HZ PHE 29 HZ PHE 29 3.894 -5.807 14.590 207 H ASP 30 H ASP 30 10.910 -7.463 11.359 208 HA ASP 30 HA ASP 30 12.441 -6.662 9.022 209 HB2 ASP 30 HB2 ASP 30 13.313 -6.281 11.229 210 HB3 ASP 30 HB3 ASP 30 13.207 -8.060 11.607 211 H ASN 31 H ASN 31 11.599 -9.548 10.797 212 HA ASN 31 HA ASN 31 11.836 -11.256 8.396 213 HB2 ASN 31 HB2 ASN 31 11.628 -11.850 11.404 214 HB3 ASN 31 HB3 ASN 31 11.923 -13.001 9.992 215 HD21 ASN 31 HD21 ASN 31 13.563 -10.863 12.392 216 HD22 ASN 31 HD22 ASN 31 15.037 -10.989 11.518 217 H ALA 32 H ALA 32 9.347 -9.647 9.951 218 HA ALA 32 HA ALA 32 7.436 -11.389 8.410 219 HB1 ALA 32 HB1 ALA 32 6.925 -9.667 10.887 220 HB2 ALA 32 HB2 ALA 32 5.727 -10.754 10.053 221 HB3 ALA 32 HB3 ALA 32 7.113 -11.337 10.951 222 HA PRO 33 HA PRO 33 7.420 -7.633 5.954 223 HB2 PRO 33 HB3 PRO 33 6.536 -9.704 4.072 224 HB3 PRO 33 HB2 PRO 33 7.683 -8.434 3.761 225 HG2 PRO 33 HG3 PRO 33 8.583 -10.939 4.084 226 HG3 PRO 33 HG2 PRO 33 9.504 -9.474 4.617 227 HD2 PRO 33 HD3 PRO 33 8.074 -11.490 6.280 228 HD3 PRO 33 HD2 PRO 33 9.542 -10.464 6.653 229 H ALA 34 H ALA 34 5.755 -6.473 5.435 230 HA ALA 34 HA ALA 34 3.095 -7.385 6.492 231 HB1 ALA 34 HB1 ALA 34 4.356 -5.738 7.849 232 HB2 ALA 34 HB2 ALA 34 4.307 -4.574 6.583 233 HB3 ALA 34 HB3 ALA 34 2.817 -5.036 7.264 234 H GLU 35 H GLU 35 1.211 -6.682 5.570 235 HA GLU 35 HA GLU 35 1.407 -5.859 2.803 236 HB2 GLU 35 HB2 GLU 35 -0.350 -8.070 3.773 237 HB3 GLU 35 HB3 GLU 35 -0.158 -7.616 2.187 238 HG2 GLU 35 HG2 GLU 35 2.019 -8.314 1.880 239 HG3 GLU 35 HG3 GLU 35 2.149 -8.625 3.727 240 H PHE 36 H PHE 36 -0.521 -4.813 1.987 241 HA PHE 36 HA PHE 36 -2.936 -4.703 3.338 242 HB2 PHE 36 HB2 PHE 36 -3.017 -2.203 3.710 243 HB3 PHE 36 HB3 PHE 36 -1.631 -2.851 4.553 244 HD1 PHE 36 HD1 PHE 36 -3.221 -0.662 2.224 245 HD2 PHE 36 HD2 PHE 36 0.598 -2.475 2.971 246 HE1 PHE 36 HE1 PHE 36 -1.946 1.212 0.992 247 HE2 PHE 36 HE2 PHE 36 1.744 -0.820 1.617 248 HZ PHE 36 HZ PHE 36 0.366 1.197 0.814 249 H THR 37 H THR 37 -4.547 -3.120 2.026 250 HA THR 37 HA THR 37 -4.017 -3.823 -0.665 251 HB THR 37 HB THR 37 -6.697 -3.970 0.926 252 HG1 THR 37 HG1 THR 37 -4.985 -5.544 1.338 253 HG21 THR 37 HG21 THR 37 -7.494 -5.081 -1.157 254 HG22 THR 37 HG22 THR 37 -6.862 -3.551 -1.694 255 HG23 THR 37 HG23 THR 37 -5.931 -5.023 -1.851 256 H ILE 38 H ILE 38 -4.347 -2.473 -2.405 257 HA ILE 38 HA ILE 38 -5.531 0.053 -1.780 258 HB ILE 38 HB ILE 38 -4.732 -0.635 -4.573 259 HG12 ILE 38 HG12 ILE 38 -2.971 0.344 -2.422 260 HG13 ILE 38 HG13 ILE 38 -2.912 -1.116 -3.390 261 HG21 ILE 38 HG21 ILE 38 -4.850 1.965 -4.704 262 HG22 ILE 38 HG22 ILE 38 -6.324 1.185 -4.158 263 HG23 ILE 38 HG23 ILE 38 -5.365 1.877 -3.013 264 HD11 ILE 38 HD11 ILE 38 -2.459 1.522 -4.733 265 HD12 ILE 38 HD12 ILE 38 -1.205 0.305 -4.264 266 HD13 ILE 38 HD13 ILE 38 -2.521 -0.043 -5.424 267 H PHE 39 H PHE 39 -7.732 0.542 -2.027 268 HA PHE 39 HA PHE 39 -9.444 -1.190 -3.619 269 HB2 PHE 39 HB2 PHE 39 -11.308 -0.817 -2.243 270 HB3 PHE 39 HB3 PHE 39 -9.943 -1.526 -1.386 271 HD1 PHE 39 HD1 PHE 39 -12.281 1.126 -1.492 272 HD2 PHE 39 HD2 PHE 39 -8.688 -0.305 0.371 273 HE1 PHE 39 HE1 PHE 39 -12.672 2.696 0.451 274 HE2 PHE 39 HE2 PHE 39 -9.079 1.229 2.217 275 HZ PHE 39 HZ PHE 39 -10.843 2.835 2.201 276 H ALA 40 H ALA 40 -9.610 -0.328 -5.507 277 HA ALA 40 HA ALA 40 -9.746 2.580 -6.027 278 HB1 ALA 40 HB1 ALA 40 -8.691 0.140 -7.522 279 HB2 ALA 40 HB2 ALA 40 -8.921 1.782 -8.194 280 HB3 ALA 40 HB3 ALA 40 -7.727 1.436 -6.955 281 H VAL 41 H VAL 41 -10.997 3.576 -7.126 282 HA VAL 41 HA VAL 41 -13.080 2.304 -8.713 283 HB VAL 41 HB VAL 41 -13.656 4.463 -6.570 284 HG11 VAL 41 HG11 VAL 41 -15.859 4.596 -7.544 285 HG12 VAL 41 HG12 VAL 41 -14.650 5.212 -8.660 286 HG13 VAL 41 HG13 VAL 41 -15.297 3.607 -8.932 287 HG21 VAL 41 HG21 VAL 41 -13.647 2.056 -5.865 288 HG22 VAL 41 HG22 VAL 41 -15.205 2.902 -5.708 289 HG23 VAL 41 HG23 VAL 41 -15.007 1.798 -7.011 290 H ASP 42 H ASP 42 -13.363 3.288 -10.569 291 HA ASP 42 HA ASP 42 -11.527 5.407 -11.488 292 HB2 ASP 42 HB2 ASP 42 -13.134 5.509 -13.503 293 HB3 ASP 42 HB3 ASP 42 -12.185 4.101 -13.243 294 H THR 43 H THR 43 -15.041 5.419 -11.277 295 HA THR 43 HA THR 43 -15.362 7.756 -9.675 296 HB THR 43 HB THR 43 -16.927 8.805 -11.310 297 HG1 THR 43 HG1 THR 43 -16.648 8.584 -13.302 298 HG21 THR 43 HG21 THR 43 -14.200 8.867 -12.588 299 HG22 THR 43 HG22 THR 43 -15.363 10.244 -12.419 300 HG23 THR 43 HG23 THR 43 -14.538 9.629 -11.023 301 H LYS 44 H LYS 44 -16.484 4.888 -11.497 302 HA LYS 44 HA LYS 44 -19.168 5.709 -11.254 303 HB2 LYS 44 HB2 LYS 44 -18.075 3.014 -12.072 304 HB3 LYS 44 HB3 LYS 44 -19.774 3.496 -12.338 305 HG2 LYS 44 HG2 LYS 44 -19.051 5.461 -13.631 306 HG3 LYS 44 HG3 LYS 44 -17.375 4.791 -13.576 307 HD2 LYS 44 HD2 LYS 44 -19.830 3.322 -14.665 308 HD3 LYS 44 HD3 LYS 44 -18.606 4.130 -15.609 309 HE2 LYS 44 HE2 LYS 44 -17.999 1.874 -13.671 310 HE3 LYS 44 HE3 LYS 44 -18.506 1.605 -15.307 311 HZ1 LYS 44 HZ1 LYS 44 -16.194 1.633 -15.424 312 HZ2 LYS 44 HZ2 LYS 44 -16.647 3.109 -15.958 313 HZ3 LYS 44 HZ3 LYS 44 -15.994 2.889 -14.423 314 H GLY 45 H GLY 45 -17.688 5.176 -8.753 315 HA2 GLY 45 HA2 GLY 45 -17.982 4.463 -6.674 316 HA3 GLY 45 HA3 GLY 45 -19.646 4.238 -7.150 317 H VAL 46 H VAL 46 -19.617 1.888 -8.687 318 HA VAL 46 HA VAL 46 -18.808 -0.341 -7.078 319 HB VAL 46 HB VAL 46 -19.115 0.023 -10.010 320 HG11 VAL 46 HG11 VAL 46 -17.990 -2.271 -9.488 321 HG12 VAL 46 HG12 VAL 46 -19.373 -2.609 -8.502 322 HG13 VAL 46 HG13 VAL 46 -19.604 -2.358 -10.265 323 HG21 VAL 46 HG21 VAL 46 -21.096 0.593 -8.992 324 HG22 VAL 46 HG22 VAL 46 -21.305 -0.892 -9.957 325 HG23 VAL 46 HG23 VAL 46 -21.189 -0.904 -8.129 326 H ALA 47 H ALA 47 -16.995 -1.548 -7.013 327 HA ALA 47 HA ALA 47 -14.267 -0.672 -7.387 328 HB1 ALA 47 HB1 ALA 47 -15.428 -3.390 -7.915 329 HB2 ALA 47 HB2 ALA 47 -13.765 -2.942 -7.497 330 HB3 ALA 47 HB3 ALA 47 -15.064 -2.812 -6.236 331 H ARG 48 H ARG 48 -12.748 -1.043 -8.616 332 HA ARG 48 HA ARG 48 -13.106 -0.316 -11.391 333 HB2 ARG 48 HB2 ARG 48 -10.793 -1.386 -9.843 334 HB3 ARG 48 HB3 ARG 48 -10.658 -1.280 -11.555 335 HG2 ARG 48 HG2 ARG 48 -11.429 0.996 -9.739 336 HG3 ARG 48 HG3 ARG 48 -9.741 0.599 -10.159 337 HD2 ARG 48 HD2 ARG 48 -11.918 1.467 -11.986 338 HD3 ARG 48 HD3 ARG 48 -10.770 2.585 -11.331 339 HE ARG 48 HE ARG 48 -8.966 1.463 -12.669 340 HH11 ARG 48 HH11 ARG 48 -12.222 0.316 -13.710 341 HH12 ARG 48 HH12 ARG 48 -11.535 -0.522 -15.046 342 HH21 ARG 48 HH21 ARG 48 -8.243 0.292 -14.421 343 HH22 ARG 48 HH22 ARG 48 -9.451 -0.536 -15.347 344 H THR 49 H THR 49 -13.863 -1.581 -12.940 345 HA THR 49 HA THR 49 -14.360 -4.293 -12.854 346 HB THR 49 HB THR 49 -15.150 -4.171 -15.085 347 HG1 THR 49 HG1 THR 49 -14.170 -2.768 -16.180 348 HG21 THR 49 HG21 THR 49 -16.920 -2.580 -14.781 349 HG22 THR 49 HG22 THR 49 -16.634 -3.701 -13.435 350 HG23 THR 49 HG23 THR 49 -16.146 -1.954 -13.294 351 H ASP 50 H ASP 50 -11.349 -2.890 -13.920 352 HA ASP 50 HA ASP 50 -10.355 -5.505 -14.813 353 HB2 ASP 50 HB2 ASP 50 -9.450 -4.430 -16.988 354 HB3 ASP 50 HB3 ASP 50 -11.125 -4.824 -16.821 355 H GLY 51 H GLY 51 -8.004 -5.505 -15.156 356 HA2 GLY 51 HA2 GLY 51 -6.932 -4.200 -12.739 357 HA3 GLY 51 HA3 GLY 51 -6.437 -5.682 -13.553 358 H GLY 52 H GLY 52 -4.507 -4.519 -13.008 359 HA2 GLY 52 HA2 GLY 52 -2.475 -3.551 -13.448 360 HA3 GLY 52 HA3 GLY 52 -3.151 -3.839 -15.121 361 H ASP 53 H ASP 53 -4.430 -1.505 -12.880 362 HA ASP 53 HA ASP 53 -3.682 0.850 -14.513 363 HB2 ASP 53 HB2 ASP 53 -4.936 0.649 -11.778 364 HB3 ASP 53 HB3 ASP 53 -4.594 2.182 -12.558 365 HA PRO 54 HA PRO 54 0.228 0.927 -12.279 366 HB2 PRO 54 HB3 PRO 54 1.252 3.335 -13.198 367 HB3 PRO 54 HB2 PRO 54 1.036 1.765 -14.178 368 HG2 PRO 54 HG3 PRO 54 -0.521 4.378 -13.998 369 HG3 PRO 54 HG2 PRO 54 -0.148 3.462 -15.440 370 HD2 PRO 54 HD3 PRO 54 -2.628 3.136 -14.027 371 HD3 PRO 54 HD2 PRO 54 -1.818 1.983 -15.203 372 H PHE 55 H PHE 55 0.942 1.506 -10.277 373 HA PHE 55 HA PHE 55 -0.085 3.835 -8.934 374 HB2 PHE 55 HB2 PHE 55 -0.113 0.939 -8.271 375 HB3 PHE 55 HB3 PHE 55 -0.122 2.043 -6.896 376 HD1 PHE 55 HD1 PHE 55 -1.779 3.747 -6.491 377 HD2 PHE 55 HD2 PHE 55 -2.379 0.353 -9.159 378 HE1 PHE 55 HE1 PHE 55 -4.125 4.097 -6.363 379 HE2 PHE 55 HE2 PHE 55 -4.783 0.653 -8.855 380 HZ PHE 55 HZ PHE 55 -5.724 2.323 -7.448 381 H GLU 56 H GLU 56 1.220 4.258 -7.017 382 HA GLU 56 HA GLU 56 3.542 2.734 -6.669 383 HB2 GLU 56 HB2 GLU 56 4.318 4.446 -8.179 384 HB3 GLU 56 HB3 GLU 56 4.120 5.703 -6.936 385 HG2 GLU 56 HG2 GLU 56 5.757 4.707 -5.623 386 HG3 GLU 56 HG3 GLU 56 5.972 3.221 -6.805 387 H VAL 57 H VAL 57 4.359 2.693 -4.606 388 HA VAL 57 HA VAL 57 3.037 4.177 -2.496 389 HB VAL 57 HB VAL 57 3.745 1.218 -2.241 390 HG11 VAL 57 HG11 VAL 57 3.518 2.347 -0.220 391 HG12 VAL 57 HG12 VAL 57 1.831 2.977 -0.563 392 HG13 VAL 57 HG13 VAL 57 2.196 1.252 -0.500 393 HG21 VAL 57 HG21 VAL 57 1.472 0.560 -2.561 394 HG22 VAL 57 HG22 VAL 57 1.182 2.294 -3.156 395 HG23 VAL 57 HG23 VAL 57 2.305 1.017 -3.988 396 H ALA 58 H ALA 58 4.742 5.436 -2.868 397 HA ALA 58 HA ALA 58 7.476 4.406 -2.211 398 HB1 ALA 58 HB1 ALA 58 6.829 7.199 -3.106 399 HB2 ALA 58 HB2 ALA 58 8.356 6.170 -3.377 400 HB3 ALA 58 HB3 ALA 58 6.886 5.853 -4.275 401 H ILE 59 H ILE 59 8.692 4.957 -0.570 402 HA ILE 59 HA ILE 59 7.183 6.309 1.636 403 HB ILE 59 HB ILE 59 8.479 3.600 1.648 404 HG12 ILE 59 HG12 ILE 59 5.508 4.127 1.890 405 HG13 ILE 59 HG13 ILE 59 6.245 3.673 0.366 406 HG21 ILE 59 HG21 ILE 59 8.373 4.931 3.893 407 HG22 ILE 59 HG22 ILE 59 6.589 4.647 3.858 408 HG23 ILE 59 HG23 ILE 59 7.757 3.330 3.942 409 HD11 ILE 59 HD11 ILE 59 7.052 1.539 1.507 410 HD12 ILE 59 HD12 ILE 59 6.058 2.099 2.892 411 HD13 ILE 59 HD13 ILE 59 5.263 1.687 1.401 412 H ASN 60 H ASN 60 8.567 7.191 3.423 413 HA ASN 60 HA ASN 60 11.482 6.717 3.041 414 HB2 ASN 60 HB2 ASN 60 9.903 9.092 4.158 415 HB3 ASN 60 HB3 ASN 60 11.640 8.975 4.084 416 HD21 ASN 60 HD21 ASN 60 12.827 8.687 2.091 417 HD22 ASN 60 HD22 ASN 60 12.217 9.379 0.666 418 H GLY 61 H GLY 61 12.274 5.550 4.636 419 HA2 GLY 61 HA2 GLY 61 11.115 5.578 7.333 420 HA3 GLY 61 HA3 GLY 61 12.406 4.526 6.812 421 HA PRO 62 HA PRO 62 14.188 8.193 9.164 422 HB2 PRO 62 HB3 PRO 62 15.709 6.696 10.918 423 HB3 PRO 62 HB2 PRO 62 14.048 7.063 11.200 424 HG2 PRO 62 HG3 PRO 62 15.306 4.595 10.126 425 HG3 PRO 62 HG2 PRO 62 14.066 4.732 11.383 426 HD2 PRO 62 HD3 PRO 62 13.410 4.269 8.747 427 HD3 PRO 62 HD2 PRO 62 12.340 5.265 9.742 428 H ASP 63 H ASP 63 15.750 9.198 8.372 429 HA ASP 63 HA ASP 63 17.277 9.847 6.872 430 HB2 ASP 63 HB2 ASP 63 18.864 7.607 7.992 431 HB3 ASP 63 HB3 ASP 63 19.377 9.050 7.045 432 H GLY 64 H GLY 64 18.822 6.737 6.258 433 HA2 GLY 64 HA2 GLY 64 18.593 7.296 3.373 434 HA3 GLY 64 HA3 GLY 64 19.550 6.070 4.319 435 H LEU 65 H LEU 65 16.311 5.813 5.241 436 HA LEU 65 HA LEU 65 16.040 3.336 3.634 437 HB2 LEU 65 HB2 LEU 65 14.924 4.534 6.156 438 HB3 LEU 65 HB3 LEU 65 14.145 3.178 5.349 439 HG LEU 65 HG LEU 65 17.107 3.304 5.958 440 HD11 LEU 65 HD11 LEU 65 14.916 2.151 7.811 441 HD12 LEU 65 HD12 LEU 65 16.606 2.009 7.997 442 HD13 LEU 65 HD13 LEU 65 15.858 3.653 8.130 443 HD21 LEU 65 HD21 LEU 65 16.856 0.817 5.860 444 HD22 LEU 65 HD22 LEU 65 15.134 0.996 5.615 445 HD23 LEU 65 HD23 LEU 65 16.229 1.432 4.373 446 H VAL 66 H VAL 66 15.862 4.525 1.831 447 HA VAL 66 HA VAL 66 13.145 5.750 1.142 448 HB VAL 66 HB VAL 66 15.652 5.794 -0.454 449 HG11 VAL 66 HG11 VAL 66 14.360 7.174 -1.961 450 HG12 VAL 66 HG12 VAL 66 13.459 5.817 -1.737 451 HG13 VAL 66 HG13 VAL 66 13.041 7.292 -0.694 452 HG21 VAL 66 HG21 VAL 66 15.535 7.259 1.642 453 HG22 VAL 66 HG22 VAL 66 15.823 8.149 0.147 454 HG23 VAL 66 HG23 VAL 66 14.212 8.129 0.847 455 H VAL 67 H VAL 67 11.528 4.421 0.401 456 HA VAL 67 HA VAL 67 12.443 1.880 -0.606 457 HB VAL 67 HB VAL 67 11.098 2.447 1.959 458 HG11 VAL 67 HG11 VAL 67 10.410 -0.181 0.465 459 HG12 VAL 67 HG12 VAL 67 9.903 0.193 2.102 460 HG13 VAL 67 HG13 VAL 67 9.251 1.165 0.835 461 HG21 VAL 67 HG21 VAL 67 13.300 1.435 1.975 462 HG22 VAL 67 HG22 VAL 67 12.256 0.467 2.881 463 HG23 VAL 67 HG23 VAL 67 12.741 -0.088 1.277 464 H ASP 68 H ASP 68 10.853 0.892 -1.975 465 HA ASP 68 HA ASP 68 8.150 2.235 -1.968 466 HB2 ASP 68 HB2 ASP 68 7.834 1.522 -4.382 467 HB3 ASP 68 HB3 ASP 68 8.817 2.918 -4.021 468 H ALA 69 H ALA 69 6.560 1.065 -1.755 469 HA ALA 69 HA ALA 69 6.792 -1.798 -0.998 470 HB1 ALA 69 HB1 ALA 69 4.760 -1.766 -0.072 471 HB2 ALA 69 HB2 ALA 69 5.571 -0.272 0.480 472 HB3 ALA 69 HB3 ALA 69 4.294 -0.125 -0.734 473 H LYS 70 H LYS 70 6.154 -3.342 -2.232 474 HA LYS 70 HA LYS 70 5.706 -2.672 -5.008 475 HB2 LYS 70 HB2 LYS 70 6.193 -5.482 -3.945 476 HB3 LYS 70 HB3 LYS 70 6.383 -4.971 -5.516 477 HG2 LYS 70 HG2 LYS 70 8.152 -4.050 -3.281 478 HG3 LYS 70 HG3 LYS 70 8.525 -5.242 -4.530 479 HD2 LYS 70 HD2 LYS 70 8.068 -3.283 -6.234 480 HD3 LYS 70 HD3 LYS 70 8.103 -2.156 -4.932 481 HE2 LYS 70 HE2 LYS 70 10.429 -4.146 -5.326 482 HE3 LYS 70 HE3 LYS 70 10.383 -2.733 -6.212 483 HZ1 LYS 70 HZ1 LYS 70 9.995 -2.519 -3.329 484 HZ2 LYS 70 HZ2 LYS 70 11.473 -2.425 -3.987 485 HZ3 LYS 70 HZ3 LYS 70 10.335 -1.329 -4.427 486 H VAL 71 H VAL 71 4.250 -3.156 -6.260 487 HA VAL 71 HA VAL 71 1.439 -3.726 -5.066 488 HB VAL 71 HB VAL 71 2.283 -2.239 -7.442 489 HG11 VAL 71 HG11 VAL 71 -0.230 -1.556 -7.388 490 HG12 VAL 71 HG12 VAL 71 -0.061 -3.273 -7.474 491 HG13 VAL 71 HG13 VAL 71 -0.317 -2.527 -5.853 492 HG21 VAL 71 HG21 VAL 71 2.923 -0.635 -5.866 493 HG22 VAL 71 HG22 VAL 71 1.388 -0.122 -6.184 494 HG23 VAL 71 HG23 VAL 71 1.590 -1.117 -4.750 495 H THR 72 H THR 72 0.513 -5.272 -5.508 496 HA THR 72 HA THR 72 0.661 -6.405 -8.313 497 HB THR 72 HB THR 72 0.661 -7.792 -5.664 498 HG1 THR 72 HG1 THR 72 2.703 -7.363 -6.251 499 HG21 THR 72 HG21 THR 72 0.360 -9.175 -8.351 500 HG22 THR 72 HG22 THR 72 0.665 -10.047 -6.833 501 HG23 THR 72 HG23 THR 72 -0.783 -9.124 -6.922 502 H ASP 73 H ASP 73 -1.126 -6.536 -9.284 503 HA ASP 73 HA ASP 73 -3.641 -5.844 -8.180 504 HB2 ASP 73 HB2 ASP 73 -2.721 -5.550 -10.599 505 HB3 ASP 73 HB3 ASP 73 -2.771 -7.265 -10.691 506 H ASN 74 H ASN 74 -5.445 -7.026 -7.507 507 HA ASN 74 HA ASN 74 -4.898 -9.827 -6.882 508 HB2 ASN 74 HB2 ASN 74 -6.961 -8.046 -5.743 509 HB3 ASN 74 HB3 ASN 74 -6.892 -9.792 -5.504 510 HD21 ASN 74 HD21 ASN 74 -6.597 -7.134 -3.929 511 HD22 ASN 74 HD22 ASN 74 -5.337 -7.664 -2.779 512 H ASN 75 H ASN 75 -6.460 -8.005 -9.311 513 HA ASN 75 HA ASN 75 -7.965 -8.254 -10.702 514 HB2 ASN 75 HB2 ASN 75 -7.774 -11.282 -10.581 515 HB3 ASN 75 HB3 ASN 75 -8.279 -10.201 -11.932 516 HD21 ASN 75 HD21 ASN 75 -5.965 -8.319 -11.629 517 HD22 ASN 75 HD22 ASN 75 -4.573 -9.281 -12.071 518 H ASP 76 H ASP 76 -9.039 -7.364 -8.734 519 HA ASP 76 HA ASP 76 -11.796 -8.213 -9.016 520 HB2 ASP 76 HB2 ASP 76 -12.255 -8.538 -6.632 521 HB3 ASP 76 HB3 ASP 76 -11.064 -9.630 -7.179 522 H GLY 77 H GLY 77 -9.681 -5.724 -8.725 523 HA2 GLY 77 HA2 GLY 77 -10.478 -3.438 -9.092 524 HA3 GLY 77 HA3 GLY 77 -11.727 -3.816 -7.908 525 H THR 78 H THR 78 -8.999 -5.467 -6.882 526 HA THR 78 HA THR 78 -8.067 -3.157 -5.399 527 HB THR 78 HB THR 78 -7.832 -4.611 -3.299 528 HG1 THR 78 HG1 THR 78 -8.748 -6.623 -5.070 529 HG21 THR 78 HG21 THR 78 -10.301 -5.178 -2.993 530 HG22 THR 78 HG22 THR 78 -9.934 -3.514 -3.374 531 HG23 THR 78 HG23 THR 78 -10.628 -4.540 -4.608 532 H TYR 79 H TYR 79 -5.977 -3.626 -4.205 533 HA TYR 79 HA TYR 79 -4.198 -5.400 -5.803 534 HB2 TYR 79 HB2 TYR 79 -3.836 -2.386 -5.283 535 HB3 TYR 79 HB3 TYR 79 -2.532 -3.378 -5.654 536 HD1 TYR 79 HD1 TYR 79 -2.236 -3.705 -8.231 537 HD2 TYR 79 HD2 TYR 79 -5.993 -2.312 -6.576 538 HE1 TYR 79 HE1 TYR 79 -3.014 -3.126 -10.463 539 HE2 TYR 79 HE2 TYR 79 -6.709 -1.673 -8.829 540 HH TYR 79 HH TYR 79 -6.233 -1.858 -11.037 541 H GLY 80 H GLY 80 -2.895 -6.659 -4.508 542 HA2 GLY 80 HA2 GLY 80 -2.562 -6.163 -1.621 543 HA3 GLY 80 HA3 GLY 80 -1.953 -7.412 -2.633 544 H VAL 81 H VAL 81 -0.878 -5.128 -0.880 545 HA VAL 81 HA VAL 81 1.619 -4.555 -2.399 546 HB VAL 81 HB VAL 81 0.220 -2.864 -0.322 547 HG11 VAL 81 HG11 VAL 81 2.473 -2.629 -0.005 548 HG12 VAL 81 HG12 VAL 81 2.758 -2.355 -1.800 549 HG13 VAL 81 HG13 VAL 81 2.068 -1.144 -0.860 550 HG21 VAL 81 HG21 VAL 81 0.585 -2.611 -3.306 551 HG22 VAL 81 HG22 VAL 81 -0.924 -2.606 -2.334 552 HG23 VAL 81 HG23 VAL 81 0.102 -1.155 -2.259 553 H VAL 82 H VAL 82 3.617 -4.804 -1.308 554 HA VAL 82 HA VAL 82 3.558 -5.840 1.473 555 HB VAL 82 HB VAL 82 3.507 -7.667 -0.216 556 HG11 VAL 82 HG11 VAL 82 5.560 -8.221 -1.449 557 HG12 VAL 82 HG12 VAL 82 4.951 -6.740 -2.169 558 HG13 VAL 82 HG13 VAL 82 6.242 -6.607 -1.013 559 HG21 VAL 82 HG21 VAL 82 5.191 -8.879 0.847 560 HG22 VAL 82 HG22 VAL 82 6.082 -7.388 1.411 561 HG23 VAL 82 HG23 VAL 82 4.493 -7.852 1.959 562 H TYR 83 H TYR 83 5.009 -5.070 2.677 563 HA TYR 83 HA TYR 83 7.627 -4.528 1.632 564 HB2 TYR 83 HB2 TYR 83 8.044 -2.289 2.436 565 HB3 TYR 83 HB3 TYR 83 6.757 -2.399 1.185 566 HD1 TYR 83 HD1 TYR 83 4.194 -2.672 2.608 567 HD2 TYR 83 HD2 TYR 83 7.832 -0.562 3.754 568 HE1 TYR 83 HE1 TYR 83 2.935 -0.942 3.826 569 HE2 TYR 83 HE2 TYR 83 6.545 1.033 5.040 570 HH TYR 83 HH TYR 83 3.118 0.449 5.545 571 H ASP 84 H ASP 84 9.085 -3.559 3.616 572 HA ASP 84 HA ASP 84 8.414 -4.908 6.064 573 HB2 ASP 84 HB2 ASP 84 10.399 -6.390 5.972 574 HB3 ASP 84 HB3 ASP 84 9.154 -6.782 4.707 575 H ALA 85 H ALA 85 10.161 -4.619 7.635 576 HA ALA 85 HA ALA 85 11.443 -1.883 7.429 577 HB1 ALA 85 HB1 ALA 85 10.709 -1.476 9.695 578 HB2 ALA 85 HB2 ALA 85 9.280 -1.712 8.627 579 HB3 ALA 85 HB3 ALA 85 9.721 -3.077 9.557 580 HA PRO 86 HA PRO 86 14.803 -4.226 9.231 581 HB2 PRO 86 HB3 PRO 86 16.841 -2.428 8.890 582 HB3 PRO 86 HB2 PRO 86 16.071 -3.347 7.519 583 HG2 PRO 86 HG3 PRO 86 15.527 -0.587 8.316 584 HG3 PRO 86 HG2 PRO 86 15.904 -1.322 6.685 585 HD2 PRO 86 HD3 PRO 86 13.351 -0.696 7.593 586 HD3 PRO 86 HD2 PRO 86 13.643 -2.006 6.569 587 H VAL 87 H VAL 87 13.193 -1.562 10.584 588 HA VAL 87 HA VAL 87 15.104 -1.132 12.702 589 HB VAL 87 HB VAL 87 14.337 1.244 12.352 590 HG11 VAL 87 HG11 VAL 87 16.049 -0.188 10.232 591 HG12 VAL 87 HG12 VAL 87 16.193 1.528 10.734 592 HG13 VAL 87 HG13 VAL 87 16.503 0.203 11.860 593 HG21 VAL 87 HG21 VAL 87 12.471 0.729 10.608 594 HG22 VAL 87 HG22 VAL 87 13.795 1.831 10.074 595 HG23 VAL 87 HG23 VAL 87 13.789 0.164 9.559 596 H GLU 88 H GLU 88 14.356 -0.917 14.738 597 HA GLU 88 HA GLU 88 11.634 -0.186 15.505 598 HB2 GLU 88 HB2 GLU 88 13.089 -0.771 17.135 599 HB3 GLU 88 HB3 GLU 88 14.204 0.654 16.890 600 HG2 GLU 88 HG2 GLU 88 12.497 2.225 17.560 601 HG3 GLU 88 HG3 GLU 88 11.251 1.040 17.449 602 H GLY 89 H GLY 89 10.528 1.686 14.606 603 HA2 GLY 89 HA2 GLY 89 11.453 4.322 14.648 604 HA3 GLY 89 HA3 GLY 89 12.027 3.677 13.182 605 H ASN 90 H ASN 90 10.704 4.864 11.772 606 HA ASN 90 HA ASN 90 7.870 4.322 11.753 607 HB2 ASN 90 HB2 ASN 90 8.309 6.161 13.289 608 HB3 ASN 90 HB3 ASN 90 8.792 7.167 12.046 609 HD21 ASN 90 HD21 ASN 90 6.990 8.120 10.714 610 HD22 ASN 90 HD22 ASN 90 5.328 7.591 11.001 611 H TYR 91 H TYR 91 7.114 4.140 9.753 612 HA TYR 91 HA TYR 91 8.610 5.334 7.472 613 HB2 TYR 91 HB2 TYR 91 6.620 2.970 7.440 614 HB3 TYR 91 HB3 TYR 91 6.930 3.868 6.083 615 HD1 TYR 91 HD1 TYR 91 9.770 3.995 5.631 616 HD2 TYR 91 HD2 TYR 91 7.555 0.877 7.460 617 HE1 TYR 91 HE1 TYR 91 11.508 2.349 4.847 618 HE2 TYR 91 HE2 TYR 91 9.150 -0.778 6.618 619 HH TYR 91 HH TYR 91 11.048 -1.135 5.400 620 H ASN 92 H ASN 92 7.779 6.388 6.059 621 HA ASN 92 HA ASN 92 5.216 7.718 6.496 622 HB2 ASN 92 HB2 ASN 92 7.360 9.021 7.242 623 HB3 ASN 92 HB3 ASN 92 7.910 8.955 5.675 624 HD21 ASN 92 HD21 ASN 92 5.143 10.128 7.680 625 HD22 ASN 92 HD22 ASN 92 4.714 11.506 6.703 626 H VAL 93 H VAL 93 3.832 7.332 5.088 627 HA VAL 93 HA VAL 93 4.813 6.222 2.595 628 HB VAL 93 HB VAL 93 2.214 5.752 4.050 629 HG11 VAL 93 HG11 VAL 93 2.070 5.270 1.646 630 HG12 VAL 93 HG12 VAL 93 3.374 4.077 1.795 631 HG13 VAL 93 HG13 VAL 93 1.790 3.829 2.672 632 HG21 VAL 93 HG21 VAL 93 2.812 3.563 4.552 633 HG22 VAL 93 HG22 VAL 93 4.499 3.826 4.097 634 HG23 VAL 93 HG23 VAL 93 3.734 4.736 5.463 635 H ASN 94 H ASN 94 4.351 7.263 0.769 636 HA ASN 94 HA ASN 94 1.887 8.785 0.266 637 HB2 ASN 94 HB2 ASN 94 4.107 9.891 0.379 638 HB3 ASN 94 HB3 ASN 94 4.490 9.136 -1.184 639 HD21 ASN 94 HD21 ASN 94 3.565 11.947 0.095 640 HD22 ASN 94 HD22 ASN 94 2.376 12.489 -1.128 641 H VAL 95 H VAL 95 0.444 7.818 -0.958 642 HA VAL 95 HA VAL 95 1.385 5.917 -3.005 643 HB VAL 95 HB VAL 95 -1.355 6.531 -1.757 644 HG11 VAL 95 HG11 VAL 95 -2.222 4.417 -2.823 645 HG12 VAL 95 HG12 VAL 95 -1.945 5.825 -3.827 646 HG13 VAL 95 HG13 VAL 95 -0.776 4.545 -3.850 647 HG21 VAL 95 HG21 VAL 95 -0.170 5.431 -0.055 648 HG22 VAL 95 HG22 VAL 95 -1.141 4.200 -0.743 649 HG23 VAL 95 HG23 VAL 95 0.613 4.408 -1.282 650 H THR 96 H THR 96 0.755 6.055 -5.201 651 HA THR 96 HA THR 96 -0.559 8.479 -6.025 652 HB THR 96 HB THR 96 1.247 8.848 -7.896 653 HG1 THR 96 HG1 THR 96 2.540 6.977 -7.348 654 HG21 THR 96 HG21 THR 96 2.033 9.333 -5.023 655 HG22 THR 96 HG22 THR 96 2.618 10.349 -6.403 656 HG23 THR 96 HG23 THR 96 0.922 10.358 -6.114 657 H LEU 97 H LEU 97 -1.393 8.445 -8.091 658 HA LEU 97 HA LEU 97 -1.746 5.856 -9.334 659 HB2 LEU 97 HB2 LEU 97 -3.344 8.391 -8.411 660 HB3 LEU 97 HB3 LEU 97 -3.960 7.403 -9.763 661 HG LEU 97 HG LEU 97 -4.090 5.508 -8.377 662 HD11 LEU 97 HD11 LEU 97 -4.094 6.136 -5.706 663 HD12 LEU 97 HD12 LEU 97 -2.488 5.935 -6.389 664 HD13 LEU 97 HD13 LEU 97 -3.140 7.509 -6.272 665 HD21 LEU 97 HD21 LEU 97 -5.668 7.842 -7.524 666 HD22 LEU 97 HD22 LEU 97 -5.912 6.714 -8.822 667 HD23 LEU 97 HD23 LEU 97 -6.045 6.143 -7.105 668 H ARG 98 H ARG 98 -1.090 5.676 -11.200 669 HA ARG 98 HA ARG 98 0.142 6.109 -13.128 670 HB2 ARG 98 HB2 ARG 98 -2.268 6.594 -13.682 671 HB3 ARG 98 HB3 ARG 98 -1.888 8.307 -13.530 672 HG2 ARG 98 HG2 ARG 98 -0.444 6.200 -15.308 673 HG3 ARG 98 HG3 ARG 98 -1.973 7.001 -15.761 674 HD2 ARG 98 HD2 ARG 98 -0.518 9.170 -15.715 675 HD3 ARG 98 HD3 ARG 98 0.855 7.961 -15.447 676 HE ARG 98 HE ARG 98 -1.092 7.991 -17.687 677 HH11 ARG 98 HH11 ARG 98 2.041 9.107 -16.775 678 HH12 ARG 98 HH12 ARG 98 2.790 9.069 -18.330 679 HH21 ARG 98 HH21 ARG 98 -0.143 7.719 -19.888 680 HH22 ARG 98 HH22 ARG 98 1.430 8.403 -20.113 681 H GLY 99 H GLY 99 1.486 6.957 -10.974 682 HA2 GLY 99 HA2 GLY 99 2.755 8.570 -10.020 683 HA3 GLY 99 HA3 GLY 99 2.940 8.983 -11.767 684 H ASN 100 H ASN 100 -0.030 9.526 -10.117 685 HA ASN 100 HA ASN 100 0.461 12.454 -9.959 686 HB2 ASN 100 HB2 ASN 100 -2.052 11.191 -10.922 687 HB3 ASN 100 HB3 ASN 100 -1.868 12.870 -10.525 688 HD21 ASN 100 HD21 ASN 100 -1.798 10.531 -12.908 689 HD22 ASN 100 HD22 ASN 100 -0.856 11.335 -14.161 690 HA PRO 101 HA PRO 101 -0.623 11.532 -5.789 691 HB2 PRO 101 HB3 PRO 101 -1.236 14.029 -4.747 692 HB3 PRO 101 HB2 PRO 101 0.378 13.585 -5.131 693 HG2 PRO 101 HG3 PRO 101 -1.460 15.290 -6.789 694 HG3 PRO 101 HG2 PRO 101 0.256 15.415 -6.530 695 HD2 PRO 101 HD3 PRO 101 -0.806 14.272 -8.866 696 HD3 PRO 101 HD2 PRO 101 0.736 13.888 -8.194 697 H ILE 102 H ILE 102 -2.421 12.718 -4.062 698 HA ILE 102 HA ILE 102 -4.895 12.503 -4.979 699 HB ILE 102 HB ILE 102 -5.482 10.211 -3.863 700 HG12 ILE 102 HG12 ILE 102 -2.475 10.038 -3.738 701 HG13 ILE 102 HG13 ILE 102 -3.613 10.255 -2.281 702 HG21 ILE 102 HG21 ILE 102 -4.947 8.825 -5.608 703 HG22 ILE 102 HG22 ILE 102 -5.377 10.418 -6.152 704 HG23 ILE 102 HG23 ILE 102 -3.677 10.032 -6.241 705 HD11 ILE 102 HD11 ILE 102 -4.568 8.083 -2.865 706 HD12 ILE 102 HD12 ILE 102 -3.423 7.994 -4.248 707 HD13 ILE 102 HD13 ILE 102 -2.793 7.918 -2.617 708 H LYS 103 H LYS 103 -6.199 11.558 -2.497 709 HA LYS 103 HA LYS 103 -5.611 13.876 -0.935 710 HB2 LYS 103 HB2 LYS 103 -7.612 11.575 -0.795 711 HB3 LYS 103 HB3 LYS 103 -7.715 13.324 -0.101 712 HG2 LYS 103 HG2 LYS 103 -7.970 14.218 -2.248 713 HG3 LYS 103 HG3 LYS 103 -8.208 12.560 -2.863 714 HD2 LYS 103 HD2 LYS 103 -10.340 13.575 -2.477 715 HD3 LYS 103 HD3 LYS 103 -10.168 12.228 -1.425 716 HE2 LYS 103 HE2 LYS 103 -9.934 13.619 0.433 717 HE3 LYS 103 HE3 LYS 103 -9.737 15.118 -0.418 718 HZ1 LYS 103 HZ1 LYS 103 -11.938 15.028 0.349 719 HZ2 LYS 103 HZ2 LYS 103 -12.098 14.486 -1.195 720 HZ3 LYS 103 HZ3 LYS 103 -11.977 13.401 0.085 721 H ASN 104 H ASN 104 -5.777 13.603 1.383 722 HA ASN 104 HA ASN 104 -4.952 12.909 3.280 723 HB2 ASN 104 HB2 ASN 104 -6.289 10.420 2.319 724 HB3 ASN 104 HB3 ASN 104 -5.966 10.815 4.046 725 HD21 ASN 104 HD21 ASN 104 -6.808 12.991 4.788 726 HD22 ASN 104 HD22 ASN 104 -8.488 13.337 4.259 727 H MET 105 H MET 105 -2.478 13.028 2.265 728 HA MET 105 HA MET 105 -0.978 10.660 2.896 729 HB2 MET 105 HB2 MET 105 -1.629 11.847 0.116 730 HB3 MET 105 HB3 MET 105 -0.103 11.063 0.411 731 HG2 MET 105 HG2 MET 105 -2.678 9.664 0.939 732 HG3 MET 105 HG3 MET 105 -1.884 9.627 -0.638 733 HE1 MET 105 HE1 MET 105 -2.133 7.987 2.664 734 HE2 MET 105 HE2 MET 105 -2.442 6.812 1.268 735 HE3 MET 105 HE3 MET 105 -1.103 6.541 2.356 736 HA PRO 106 HA PRO 106 1.276 10.297 2.683 737 HB2 PRO 106 HB3 PRO 106 3.659 10.602 4.150 738 HB3 PRO 106 HB2 PRO 106 3.437 10.955 2.436 739 HG2 PRO 106 HG3 PRO 106 3.063 12.869 4.770 740 HG3 PRO 106 HG2 PRO 106 4.199 13.074 3.423 741 HD2 PRO 106 HD3 PRO 106 1.746 14.246 3.354 742 HD3 PRO 106 HD2 PRO 106 2.545 13.434 1.924 743 H ILE 107 H ILE 107 1.489 8.819 4.410 744 HA ILE 107 HA ILE 107 0.502 9.743 7.016 745 HB ILE 107 HB ILE 107 -0.773 7.830 7.297 746 HG12 ILE 107 HG12 ILE 107 -0.463 7.318 4.274 747 HG13 ILE 107 HG13 ILE 107 0.215 6.255 5.513 748 HG21 ILE 107 HG21 ILE 107 -1.859 9.935 6.245 749 HG22 ILE 107 HG22 ILE 107 -1.866 9.030 4.646 750 HG23 ILE 107 HG23 ILE 107 -2.739 8.453 6.011 751 HD11 ILE 107 HD11 ILE 107 -1.810 5.542 6.485 752 HD12 ILE 107 HD12 ILE 107 -2.710 6.458 5.186 753 HD13 ILE 107 HD13 ILE 107 -1.743 5.206 4.741 754 H ASP 108 H ASP 108 0.814 7.850 8.712 755 HA ASP 108 HA ASP 108 3.564 6.991 8.417 756 HB2 ASP 108 HB2 ASP 108 2.107 8.392 10.725 757 HB3 ASP 108 HB3 ASP 108 3.840 7.828 10.620 758 H VAL 109 H VAL 109 4.362 5.302 9.254 759 HA VAL 109 HA VAL 109 2.567 3.305 10.720 760 HB VAL 109 HB VAL 109 4.172 2.443 8.387 761 HG11 VAL 109 HG11 VAL 109 2.443 0.599 8.524 762 HG12 VAL 109 HG12 VAL 109 3.287 0.813 10.046 763 HG13 VAL 109 HG13 VAL 109 1.686 1.385 9.919 764 HG21 VAL 109 HG21 VAL 109 2.734 4.256 7.509 765 HG22 VAL 109 HG22 VAL 109 2.489 2.569 6.894 766 HG23 VAL 109 HG23 VAL 109 1.377 3.436 8.067 767 H LYS 110 H LYS 110 3.430 2.451 12.310 768 HA LYS 110 HA LYS 110 6.124 2.804 13.015 769 HB2 LYS 110 HB2 LYS 110 5.661 1.668 15.129 770 HB3 LYS 110 HB3 LYS 110 4.371 2.796 14.717 771 HG2 LYS 110 HG2 LYS 110 3.104 0.822 13.776 772 HG3 LYS 110 HG3 LYS 110 4.361 -0.171 14.657 773 HD2 LYS 110 HD2 LYS 110 3.413 0.625 16.857 774 HD3 LYS 110 HD3 LYS 110 2.548 1.790 15.917 775 HE2 LYS 110 HE2 LYS 110 1.529 -0.057 14.718 776 HE3 LYS 110 HE3 LYS 110 2.331 -1.294 15.724 777 HZ1 LYS 110 HZ1 LYS 110 0.284 -1.058 16.736 778 HZ2 LYS 110 HZ2 LYS 110 1.383 -0.343 17.720 779 HZ3 LYS 110 HZ3 LYS 110 0.356 0.588 16.810 780 H CYS 111 H CYS 111 7.816 1.718 12.891 781 HA CYS 111 HA CYS 111 8.022 -0.805 11.259 782 HB2 CYS 111 HB2 CYS 111 10.061 1.254 12.204 783 HB3 CYS 111 HB3 CYS 111 10.287 -0.111 11.090 784 HG CYS 111 HG CYS 111 7.879 2.099 10.501 785 H ILE 112 H ILE 112 8.831 -2.644 12.724 786 HA ILE 112 HA ILE 112 10.336 -1.918 15.118 787 HB ILE 112 HB ILE 112 8.191 -3.853 15.258 788 HG12 ILE 112 HG12 ILE 112 8.318 -1.066 16.455 789 HG13 ILE 112 HG13 ILE 112 7.163 -1.691 15.223 790 HG21 ILE 112 HG21 ILE 112 10.154 -2.858 17.230 791 HG22 ILE 112 HG22 ILE 112 8.733 -3.862 17.693 792 HG23 ILE 112 HG23 ILE 112 10.025 -4.482 16.604 793 HD11 ILE 112 HD11 ILE 112 5.820 -1.665 17.011 794 HD12 ILE 112 HD12 ILE 112 6.357 -3.327 16.879 795 HD13 ILE 112 HD13 ILE 112 7.267 -2.225 18.054 796 H GLU 113 H GLU 113 12.132 -3.602 15.444 797 HA GLU 113 HA GLU 113 12.684 -4.929 13.012 798 HB2 GLU 113 HB2 GLU 113 14.955 -4.823 13.745 799 HB3 GLU 113 HB3 GLU 113 14.060 -3.293 13.855 800 HG2 GLU 113 HG2 GLU 113 13.807 -4.055 16.446 801 HG3 GLU 113 HG3 GLU 113 15.109 -5.105 16.042 802 H GLY 114 H GLY 114 10.832 -6.391 13.793 803 HA2 GLY 114 HA2 GLY 114 11.566 -8.615 15.393 804 HA3 GLY 114 HA3 GLY 114 10.017 -8.517 14.478 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -10.430 -15.345 -9.553 2 H2 MET 1 H2 MET 1 -9.012 -14.738 -10.227 3 H3 MET 1 H3 MET 1 -9.852 -13.989 -8.999 4 HA MET 1 HA MET 1 -9.956 -12.794 -11.030 5 HB2 MET 1 HB2 MET 1 -9.523 -14.482 -12.453 6 HB3 MET 1 HB3 MET 1 -11.049 -15.376 -12.141 7 HG2 MET 1 HG2 MET 1 -10.680 -13.998 -14.275 8 HG3 MET 1 HG3 MET 1 -12.238 -13.687 -13.347 9 HE1 MET 1 HE1 MET 1 -10.702 -12.011 -15.759 10 HE2 MET 1 HE2 MET 1 -12.350 -11.873 -15.016 11 HE3 MET 1 HE3 MET 1 -11.291 -10.453 -15.331 12 H HIS 2 H HIS 2 -11.237 -11.615 -9.614 13 HA HIS 2 HA HIS 2 -14.058 -12.144 -9.425 14 HB2 HIS 2 HB2 HIS 2 -12.440 -11.042 -7.106 15 HB3 HIS 2 HB3 HIS 2 -14.220 -11.322 -7.225 16 HD1 HIS 2 HD1 HIS 2 -10.967 -13.140 -6.610 17 HD2 HIS 2 HD2 HIS 2 -15.007 -14.016 -7.398 18 HE1 HIS 2 HE1 HIS 2 -11.241 -15.546 -6.075 19 H HIS 3 H HIS 3 -12.787 -10.575 -11.422 20 HA HIS 3 HA HIS 3 -13.491 -7.843 -10.871 21 HB2 HIS 3 HB2 HIS 3 -12.579 -9.459 -13.244 22 HB3 HIS 3 HB3 HIS 3 -13.255 -7.908 -13.622 23 HD1 HIS 3 HD1 HIS 3 -11.976 -6.114 -11.420 24 HD2 HIS 3 HD2 HIS 3 -9.997 -8.777 -13.917 25 HE1 HIS 3 HE1 HIS 3 -9.504 -5.290 -11.606 26 H HIS 4 H HIS 4 -14.938 -6.746 -12.744 27 HA HIS 4 HA HIS 4 -17.135 -8.345 -13.493 28 HB2 HIS 4 HB2 HIS 4 -18.928 -6.974 -12.290 29 HB3 HIS 4 HB3 HIS 4 -17.882 -7.823 -11.181 30 HD1 HIS 4 HD1 HIS 4 -18.395 -4.012 -11.944 31 HD2 HIS 4 HD2 HIS 4 -16.205 -6.862 -9.768 32 HE1 HIS 4 HE1 HIS 4 -16.951 -2.756 -10.422 33 H HIS 5 H HIS 5 -17.767 -7.642 -15.487 34 HA HIS 5 HA HIS 5 -16.765 -5.023 -16.325 35 HB2 HIS 5 HB2 HIS 5 -17.549 -7.626 -17.743 36 HB3 HIS 5 HB3 HIS 5 -16.851 -6.234 -18.592 37 HD1 HIS 5 HD1 HIS 5 -14.853 -5.613 -16.106 38 HD2 HIS 5 HD2 HIS 5 -15.152 -8.889 -18.703 39 HE1 HIS 5 HE1 HIS 5 -12.532 -6.854 -16.135 40 H HIS 6 H HIS 6 -17.929 -3.514 -17.480 41 HA HIS 6 HA HIS 6 -20.917 -3.929 -17.623 42 HB2 HIS 6 HB2 HIS 6 -19.456 -1.822 -16.080 43 HB3 HIS 6 HB3 HIS 6 -21.245 -1.965 -16.342 44 HD1 HIS 6 HD1 HIS 6 -22.176 -4.553 -15.435 45 HD2 HIS 6 HD2 HIS 6 -18.853 -2.649 -13.856 46 HE1 HIS 6 HE1 HIS 6 -21.893 -5.504 -13.101 47 H HIS 7 H HIS 7 -18.179 -2.020 -18.809 48 HA HIS 7 HA HIS 7 -19.978 -0.683 -20.839 49 HB2 HIS 7 HB2 HIS 7 -18.464 1.311 -20.313 50 HB3 HIS 7 HB3 HIS 7 -20.009 1.230 -19.459 51 HD1 HIS 7 HD1 HIS 7 -16.191 1.083 -18.901 52 HD2 HIS 7 HD2 HIS 7 -19.846 0.546 -16.871 53 HE1 HIS 7 HE1 HIS 7 -15.665 1.151 -16.472 54 H ALA 8 H ALA 8 -18.758 0.072 -22.609 55 HA ALA 8 HA ALA 8 -16.687 -1.624 -23.401 56 HB1 ALA 8 HB1 ALA 8 -17.526 1.009 -24.668 57 HB2 ALA 8 HB2 ALA 8 -16.404 -0.150 -25.303 58 HB3 ALA 8 HB3 ALA 8 -18.105 -0.708 -24.841 59 H SER 9 H SER 9 -16.264 1.975 -22.841 60 HA SER 9 HA SER 9 -13.578 2.166 -22.599 61 HB2 SER 9 HB2 SER 9 -15.723 3.679 -21.045 62 HB3 SER 9 HB3 SER 9 -14.068 4.271 -21.338 63 HG SER 9 HG SER 9 -15.356 5.117 -22.715 64 H LYS 10 H LYS 10 -12.053 2.405 -20.896 65 HA LYS 10 HA LYS 10 -12.580 0.947 -18.444 66 HB2 LYS 10 HB2 LYS 10 -9.883 1.299 -19.885 67 HB3 LYS 10 HB3 LYS 10 -10.167 0.789 -18.307 68 HG2 LYS 10 HG2 LYS 10 -11.591 -1.122 -19.131 69 HG3 LYS 10 HG3 LYS 10 -11.346 -0.533 -20.776 70 HD2 LYS 10 HD2 LYS 10 -8.972 -0.722 -20.693 71 HD3 LYS 10 HD3 LYS 10 -9.082 -1.322 -19.017 72 HE2 LYS 10 HE2 LYS 10 -8.663 -3.229 -20.373 73 HE3 LYS 10 HE3 LYS 10 -10.438 -3.318 -19.991 74 HZ1 LYS 10 HZ1 LYS 10 -10.772 -2.364 -22.257 75 HZ2 LYS 10 HZ2 LYS 10 -9.187 -2.411 -22.537 76 HZ3 LYS 10 HZ3 LYS 10 -9.786 -3.738 -22.271 77 HA PRO 11 HA PRO 11 -12.016 5.364 -17.425 78 HB2 PRO 11 HB3 PRO 11 -13.722 5.603 -15.352 79 HB3 PRO 11 HB2 PRO 11 -14.335 5.572 -17.061 80 HG2 PRO 11 HG3 PRO 11 -14.060 3.294 -15.052 81 HG3 PRO 11 HG2 PRO 11 -15.513 3.771 -15.993 82 HD2 PRO 11 HD3 PRO 11 -13.782 1.810 -16.801 83 HD3 PRO 11 HD2 PRO 11 -14.514 2.961 -18.072 84 H ALA 12 H ALA 12 -11.073 6.331 -15.703 85 HA ALA 12 HA ALA 12 -9.152 4.444 -14.447 86 HB1 ALA 12 HB1 ALA 12 -8.321 6.218 -16.020 87 HB2 ALA 12 HB2 ALA 12 -8.835 7.403 -14.818 88 HB3 ALA 12 HB3 ALA 12 -7.472 6.121 -14.545 89 HA PRO 13 HA PRO 13 -10.088 5.551 -10.301 90 HB2 PRO 13 HB3 PRO 13 -7.141 5.327 -9.674 91 HB3 PRO 13 HB2 PRO 13 -8.437 4.398 -9.032 92 HG2 PRO 13 HG3 PRO 13 -6.723 3.322 -10.957 93 HG3 PRO 13 HG2 PRO 13 -8.532 3.151 -11.145 94 HD2 PRO 13 HD3 PRO 13 -6.759 5.373 -12.268 95 HD3 PRO 13 HD2 PRO 13 -7.732 4.126 -13.121 96 H SER 14 H SER 14 -9.454 7.096 -8.404 97 HA SER 14 HA SER 14 -8.017 9.540 -9.220 98 HB2 SER 14 HB2 SER 14 -10.401 9.732 -10.069 99 HB3 SER 14 HB3 SER 14 -10.896 9.757 -8.330 100 HG SER 14 HG SER 14 -10.528 11.819 -8.952 101 H ALA 15 H ALA 15 -8.174 11.062 -7.480 102 HA ALA 15 HA ALA 15 -7.079 9.850 -5.168 103 HB1 ALA 15 HB1 ALA 15 -7.845 12.774 -5.482 104 HB2 ALA 15 HB2 ALA 15 -6.810 12.016 -4.323 105 HB3 ALA 15 HB3 ALA 15 -6.268 12.002 -5.948 106 H GLU 16 H GLU 16 -10.132 11.755 -5.390 107 HA GLU 16 HA GLU 16 -11.533 11.304 -3.155 108 HB2 GLU 16 HB2 GLU 16 -12.391 11.428 -6.085 109 HB3 GLU 16 HB3 GLU 16 -13.497 11.212 -4.767 110 HG2 GLU 16 HG2 GLU 16 -11.340 13.447 -5.128 111 HG3 GLU 16 HG3 GLU 16 -13.019 13.517 -5.633 112 H HIS 17 H HIS 17 -11.098 9.007 -5.819 113 HA HIS 17 HA HIS 17 -12.718 6.914 -4.629 114 HB2 HIS 17 HB2 HIS 17 -11.756 7.567 -7.472 115 HB3 HIS 17 HB3 HIS 17 -13.066 6.465 -6.975 116 HD1 HIS 17 HD1 HIS 17 -14.758 8.774 -5.382 117 HD2 HIS 17 HD2 HIS 17 -12.760 9.414 -9.092 118 HE1 HIS 17 HE1 HIS 17 -15.730 10.783 -6.454 119 H SER 18 H SER 18 -9.804 7.408 -4.104 120 HA SER 18 HA SER 18 -9.301 4.445 -4.348 121 HB2 SER 18 HB2 SER 18 -8.072 5.845 -6.335 122 HB3 SER 18 HB3 SER 18 -7.113 6.483 -5.023 123 HG SER 18 HG SER 18 -6.876 4.173 -4.392 124 H TYR 19 H TYR 19 -8.693 3.531 -2.841 125 HA TYR 19 HA TYR 19 -7.449 4.931 -0.838 126 HB2 TYR 19 HB2 TYR 19 -10.433 4.371 -0.795 127 HB3 TYR 19 HB3 TYR 19 -9.551 4.255 0.766 128 HD1 TYR 19 HD1 TYR 19 -11.516 6.661 -0.989 129 HD2 TYR 19 HD2 TYR 19 -7.866 6.111 1.099 130 HE1 TYR 19 HE1 TYR 19 -11.338 8.977 -0.648 131 HE2 TYR 19 HE2 TYR 19 -7.885 8.501 1.951 132 HH TYR 19 HH TYR 19 -9.230 10.506 1.792 133 H ALA 20 H ALA 20 -6.942 3.664 0.914 134 HA ALA 20 HA ALA 20 -6.972 0.727 0.616 135 HB1 ALA 20 HB1 ALA 20 -4.430 2.352 0.959 136 HB2 ALA 20 HB2 ALA 20 -4.563 0.561 0.874 137 HB3 ALA 20 HB3 ALA 20 -5.130 1.759 -0.452 138 H GLU 21 H GLU 21 -6.637 -0.673 2.173 139 HA GLU 21 HA GLU 21 -6.356 0.096 4.926 140 HB2 GLU 21 HB2 GLU 21 -8.772 -1.173 3.606 141 HB3 GLU 21 HB3 GLU 21 -8.377 -1.772 5.209 142 HG2 GLU 21 HG2 GLU 21 -8.543 0.500 6.035 143 HG3 GLU 21 HG3 GLU 21 -8.928 1.190 4.489 144 H GLY 22 H GLY 22 -5.372 -1.457 6.240 145 HA2 GLY 22 HA2 GLY 22 -5.553 -3.986 6.663 146 HA3 GLY 22 HA3 GLY 22 -4.522 -4.260 5.305 147 H GLU 23 H GLU 23 -3.412 -5.328 7.359 148 HA GLU 23 HA GLU 23 -2.584 -3.572 9.385 149 HB2 GLU 23 HB2 GLU 23 -3.054 -6.070 9.283 150 HB3 GLU 23 HB3 GLU 23 -1.418 -6.195 8.663 151 HG2 GLU 23 HG2 GLU 23 -0.676 -5.174 10.869 152 HG3 GLU 23 HG3 GLU 23 -2.244 -4.882 11.384 153 H GLY 24 H GLY 24 -1.044 -4.276 6.153 154 HA2 GLY 24 HA2 GLY 24 1.468 -3.193 6.836 155 HA3 GLY 24 HA3 GLY 24 0.717 -3.478 5.314 156 H LEU 25 H LEU 25 -1.410 -1.360 7.066 157 HA LEU 25 HA LEU 25 0.174 1.037 6.916 158 HB2 LEU 25 HB2 LEU 25 -2.836 0.894 6.802 159 HB3 LEU 25 HB3 LEU 25 -1.888 2.314 6.907 160 HG LEU 25 HG LEU 25 -1.652 0.280 4.661 161 HD11 LEU 25 HD11 LEU 25 -2.930 1.755 3.280 162 HD12 LEU 25 HD12 LEU 25 -3.855 1.249 4.689 163 HD13 LEU 25 HD13 LEU 25 -3.151 2.929 4.622 164 HD21 LEU 25 HD21 LEU 25 -0.550 2.988 5.192 165 HD22 LEU 25 HD22 LEU 25 0.333 1.613 4.607 166 HD23 LEU 25 HD23 LEU 25 -0.729 2.300 3.413 167 H VAL 26 H VAL 26 -0.157 -1.049 9.110 168 HA VAL 26 HA VAL 26 -0.432 0.798 11.467 169 HB VAL 26 HB VAL 26 -1.497 -2.049 11.479 170 HG11 VAL 26 HG11 VAL 26 -1.742 0.349 13.416 171 HG12 VAL 26 HG12 VAL 26 -2.674 -1.187 13.503 172 HG13 VAL 26 HG13 VAL 26 -0.886 -1.167 13.636 173 HG21 VAL 26 HG21 VAL 26 -2.845 -0.766 9.921 174 HG22 VAL 26 HG22 VAL 26 -3.720 -1.172 11.381 175 HG23 VAL 26 HG23 VAL 26 -3.046 0.476 11.177 176 H LYS 27 H LYS 27 1.083 -2.424 10.495 177 HA LYS 27 HA LYS 27 3.261 -2.010 12.362 178 HB2 LYS 27 HB2 LYS 27 2.686 -3.659 13.875 179 HB3 LYS 27 HB3 LYS 27 1.410 -2.482 13.865 180 HG2 LYS 27 HG2 LYS 27 0.026 -4.032 12.653 181 HG3 LYS 27 HG3 LYS 27 1.321 -5.281 12.592 182 HD2 LYS 27 HD2 LYS 27 1.365 -5.560 14.875 183 HD3 LYS 27 HD3 LYS 27 0.336 -4.208 15.219 184 HE2 LYS 27 HE2 LYS 27 -1.637 -5.277 14.144 185 HE3 LYS 27 HE3 LYS 27 -0.533 -6.679 13.831 186 HZ1 LYS 27 HZ1 LYS 27 -1.300 -5.529 16.486 187 HZ2 LYS 27 HZ2 LYS 27 -1.865 -6.944 15.961 188 HZ3 LYS 27 HZ3 LYS 27 -0.312 -6.745 16.327 189 H VAL 28 H VAL 28 4.921 -3.019 11.585 190 HA VAL 28 HA VAL 28 4.765 -5.250 9.724 191 HB VAL 28 HB VAL 28 6.591 -2.946 9.167 192 HG11 VAL 28 HG11 VAL 28 5.759 -5.291 7.599 193 HG12 VAL 28 HG12 VAL 28 6.436 -3.868 6.813 194 HG13 VAL 28 HG13 VAL 28 7.370 -4.712 8.049 195 HG21 VAL 28 HG21 VAL 28 3.843 -3.266 8.028 196 HG22 VAL 28 HG22 VAL 28 4.378 -1.870 9.043 197 HG23 VAL 28 HG23 VAL 28 4.984 -2.115 7.403 198 H PHE 29 H PHE 29 6.738 -6.436 9.734 199 HA PHE 29 HA PHE 29 8.703 -5.733 11.839 200 HB2 PHE 29 HB2 PHE 29 7.524 -8.570 11.342 201 HB3 PHE 29 HB3 PHE 29 8.601 -8.015 12.639 202 HD1 PHE 29 HD1 PHE 29 7.633 -7.050 14.498 203 HD2 PHE 29 HD2 PHE 29 5.247 -7.876 11.103 204 HE1 PHE 29 HE1 PHE 29 5.609 -6.663 15.826 205 HE2 PHE 29 HE2 PHE 29 3.135 -7.478 12.454 206 HZ PHE 29 HZ PHE 29 3.367 -6.926 14.895 207 H ASP 30 H ASP 30 10.479 -7.783 11.562 208 HA ASP 30 HA ASP 30 11.831 -6.805 9.141 209 HB2 ASP 30 HB2 ASP 30 12.761 -6.546 11.406 210 HB3 ASP 30 HB3 ASP 30 12.948 -8.277 11.495 211 H ASN 31 H ASN 31 11.013 -9.715 10.928 212 HA ASN 31 HA ASN 31 11.237 -11.316 8.412 213 HB2 ASN 31 HB2 ASN 31 11.236 -12.120 11.340 214 HB3 ASN 31 HB3 ASN 31 11.557 -13.255 9.992 215 HD21 ASN 31 HD21 ASN 31 13.110 -11.145 12.168 216 HD22 ASN 31 HD22 ASN 31 14.660 -11.112 11.426 217 H ALA 32 H ALA 32 8.860 -9.826 9.687 218 HA ALA 32 HA ALA 32 6.888 -11.959 8.877 219 HB1 ALA 32 HB1 ALA 32 6.939 -11.491 11.468 220 HB2 ALA 32 HB2 ALA 32 6.028 -10.080 10.954 221 HB3 ALA 32 HB3 ALA 32 5.477 -11.713 10.543 222 HA PRO 33 HA PRO 33 6.713 -8.057 6.193 223 HB2 PRO 33 HB3 PRO 33 5.907 -9.125 4.038 224 HB3 PRO 33 HB2 PRO 33 7.534 -9.069 4.376 225 HG2 PRO 33 HG3 PRO 33 5.674 -11.425 4.848 226 HG3 PRO 33 HG2 PRO 33 7.347 -11.433 4.119 227 HD2 PRO 33 HD3 PRO 33 6.754 -12.047 6.715 228 HD3 PRO 33 HD2 PRO 33 8.281 -11.075 6.331 229 H ALA 34 H ALA 34 4.849 -6.957 5.552 230 HA ALA 34 HA ALA 34 2.218 -7.931 6.542 231 HB1 ALA 34 HB1 ALA 34 1.847 -5.708 7.288 232 HB2 ALA 34 HB2 ALA 34 3.364 -6.272 7.988 233 HB3 ALA 34 HB3 ALA 34 3.362 -5.166 6.460 234 H GLU 35 H GLU 35 0.245 -7.372 5.353 235 HA GLU 35 HA GLU 35 0.848 -6.186 2.834 236 HB2 GLU 35 HB2 GLU 35 -0.794 -8.562 3.901 237 HB3 GLU 35 HB3 GLU 35 -1.369 -7.917 2.445 238 HG2 GLU 35 HG2 GLU 35 1.049 -8.381 1.476 239 HG3 GLU 35 HG3 GLU 35 1.300 -9.126 3.143 240 H PHE 36 H PHE 36 -1.166 -5.235 1.733 241 HA PHE 36 HA PHE 36 -3.284 -4.373 3.267 242 HB2 PHE 36 HB2 PHE 36 -2.804 -2.012 3.522 243 HB3 PHE 36 HB3 PHE 36 -1.728 -2.984 4.498 244 HD1 PHE 36 HD1 PHE 36 -2.008 -0.435 2.080 245 HD2 PHE 36 HD2 PHE 36 0.833 -3.341 3.455 246 HE1 PHE 36 HE1 PHE 36 -0.113 1.090 1.600 247 HE2 PHE 36 HE2 PHE 36 2.635 -1.752 3.088 248 HZ PHE 36 HZ PHE 36 2.203 0.443 2.165 249 H THR 37 H THR 37 -4.647 -2.995 1.941 250 HA THR 37 HA THR 37 -4.222 -3.803 -0.813 251 HB THR 37 HB THR 37 -6.760 -3.962 0.864 252 HG1 THR 37 HG1 THR 37 -6.241 -6.047 0.984 253 HG21 THR 37 HG21 THR 37 -7.616 -3.923 -1.417 254 HG22 THR 37 HG22 THR 37 -6.262 -4.826 -2.081 255 HG23 THR 37 HG23 THR 37 -7.428 -5.596 -0.975 256 H ILE 38 H ILE 38 -4.457 -2.363 -2.314 257 HA ILE 38 HA ILE 38 -5.665 0.156 -1.726 258 HB ILE 38 HB ILE 38 -4.328 -0.392 -4.426 259 HG12 ILE 38 HG12 ILE 38 -3.312 1.100 -1.987 260 HG13 ILE 38 HG13 ILE 38 -2.808 -0.540 -2.573 261 HG21 ILE 38 HG21 ILE 38 -5.935 1.169 -4.882 262 HG22 ILE 38 HG22 ILE 38 -5.685 2.089 -3.401 263 HG23 ILE 38 HG23 ILE 38 -4.546 2.044 -4.738 264 HD11 ILE 38 HD11 ILE 38 -2.589 2.116 -4.004 265 HD12 ILE 38 HD12 ILE 38 -1.236 1.236 -3.223 266 HD13 ILE 38 HD13 ILE 38 -1.925 0.503 -4.613 267 H PHE 39 H PHE 39 -7.768 0.307 -2.029 268 HA PHE 39 HA PHE 39 -9.223 -1.221 -4.080 269 HB2 PHE 39 HB2 PHE 39 -11.365 -0.828 -2.937 270 HB3 PHE 39 HB3 PHE 39 -10.146 -1.775 -2.094 271 HD1 PHE 39 HD1 PHE 39 -12.079 1.421 -2.122 272 HD2 PHE 39 HD2 PHE 39 -8.976 -0.823 -0.061 273 HE1 PHE 39 HE1 PHE 39 -12.366 2.680 -0.135 274 HE2 PHE 39 HE2 PHE 39 -9.148 0.691 1.783 275 HZ PHE 39 HZ PHE 39 -11.002 2.409 1.906 276 H ALA 40 H ALA 40 -9.970 -0.331 -5.839 277 HA ALA 40 HA ALA 40 -9.863 2.683 -6.069 278 HB1 ALA 40 HB1 ALA 40 -7.986 1.657 -7.433 279 HB2 ALA 40 HB2 ALA 40 -9.039 0.408 -8.002 280 HB3 ALA 40 HB3 ALA 40 -9.265 2.019 -8.558 281 H VAL 41 H VAL 41 -11.400 3.698 -6.746 282 HA VAL 41 HA VAL 41 -13.645 2.322 -8.270 283 HB VAL 41 HB VAL 41 -13.601 4.442 -6.046 284 HG11 VAL 41 HG11 VAL 41 -15.173 5.269 -7.987 285 HG12 VAL 41 HG12 VAL 41 -16.085 3.842 -7.491 286 HG13 VAL 41 HG13 VAL 41 -15.732 5.184 -6.327 287 HG21 VAL 41 HG21 VAL 41 -13.717 2.251 -5.276 288 HG22 VAL 41 HG22 VAL 41 -15.153 3.218 -4.905 289 HG23 VAL 41 HG23 VAL 41 -15.196 1.988 -6.248 290 H ASP 42 H ASP 42 -14.080 3.374 -10.199 291 HA ASP 42 HA ASP 42 -12.136 5.177 -11.208 292 HB2 ASP 42 HB2 ASP 42 -13.476 5.380 -13.149 293 HB3 ASP 42 HB3 ASP 42 -12.941 3.801 -12.770 294 H THR 43 H THR 43 -15.783 5.614 -10.342 295 HA THR 43 HA THR 43 -15.250 8.394 -10.043 296 HB THR 43 HB THR 43 -17.201 8.860 -11.355 297 HG1 THR 43 HG1 THR 43 -16.819 6.241 -12.397 298 HG21 THR 43 HG21 THR 43 -16.325 8.928 -13.607 299 HG22 THR 43 HG22 THR 43 -15.125 9.356 -12.557 300 HG23 THR 43 HG23 THR 43 -15.250 7.640 -13.302 301 H LYS 44 H LYS 44 -17.771 5.870 -9.865 302 HA LYS 44 HA LYS 44 -18.592 7.227 -7.388 303 HB2 LYS 44 HB2 LYS 44 -19.897 8.013 -9.226 304 HB3 LYS 44 HB3 LYS 44 -20.511 6.316 -9.435 305 HG2 LYS 44 HG2 LYS 44 -21.596 6.501 -7.188 306 HG3 LYS 44 HG3 LYS 44 -20.810 8.106 -6.962 307 HD2 LYS 44 HD2 LYS 44 -23.230 7.109 -8.621 308 HD3 LYS 44 HD3 LYS 44 -23.149 8.385 -7.446 309 HE2 LYS 44 HE2 LYS 44 -21.565 9.484 -9.256 310 HE3 LYS 44 HE3 LYS 44 -22.342 8.409 -10.374 311 HZ1 LYS 44 HZ1 LYS 44 -24.450 9.593 -9.647 312 HZ2 LYS 44 HZ2 LYS 44 -23.512 10.367 -8.496 313 HZ3 LYS 44 HZ3 LYS 44 -23.290 10.689 -10.061 314 H GLY 45 H GLY 45 -18.183 5.645 -5.929 315 HA2 GLY 45 HA2 GLY 45 -18.669 3.882 -4.558 316 HA3 GLY 45 HA3 GLY 45 -20.134 3.697 -5.574 317 H VAL 46 H VAL 46 -19.462 2.690 -7.723 318 HA VAL 46 HA VAL 46 -18.745 -0.130 -7.274 319 HB VAL 46 HB VAL 46 -19.561 1.435 -9.724 320 HG11 VAL 46 HG11 VAL 46 -19.213 -1.506 -9.087 321 HG12 VAL 46 HG12 VAL 46 -20.297 -0.972 -10.416 322 HG13 VAL 46 HG13 VAL 46 -18.622 -0.788 -10.593 323 HG21 VAL 46 HG21 VAL 46 -21.443 1.304 -8.194 324 HG22 VAL 46 HG22 VAL 46 -21.689 -0.157 -9.240 325 HG23 VAL 46 HG23 VAL 46 -20.950 -0.200 -7.628 326 H ALA 47 H ALA 47 -17.076 -1.084 -7.366 327 HA ALA 47 HA ALA 47 -14.473 0.152 -7.397 328 HB1 ALA 47 HB1 ALA 47 -13.779 -2.205 -7.711 329 HB2 ALA 47 HB2 ALA 47 -14.859 -1.799 -6.289 330 HB3 ALA 47 HB3 ALA 47 -15.539 -2.584 -7.750 331 H ARG 48 H ARG 48 -12.816 -0.399 -8.658 332 HA ARG 48 HA ARG 48 -13.035 0.352 -11.431 333 HB2 ARG 48 HB2 ARG 48 -10.797 -0.852 -9.872 334 HB3 ARG 48 HB3 ARG 48 -10.733 -0.972 -11.577 335 HG2 ARG 48 HG2 ARG 48 -11.143 1.618 -10.096 336 HG3 ARG 48 HG3 ARG 48 -9.527 1.014 -10.662 337 HD2 ARG 48 HD2 ARG 48 -11.839 1.713 -12.462 338 HD3 ARG 48 HD3 ARG 48 -10.605 2.798 -12.018 339 HE ARG 48 HE ARG 48 -8.890 1.261 -13.055 340 HH11 ARG 48 HH11 ARG 48 -12.251 0.757 -14.283 341 HH12 ARG 48 HH12 ARG 48 -11.624 -0.289 -15.484 342 HH21 ARG 48 HH21 ARG 48 -8.268 0.147 -14.628 343 HH22 ARG 48 HH22 ARG 48 -9.447 -0.416 -15.860 344 H THR 49 H THR 49 -13.872 -0.881 -12.880 345 HA THR 49 HA THR 49 -14.991 -3.339 -12.515 346 HB THR 49 HB THR 49 -15.663 -2.979 -15.093 347 HG1 THR 49 HG1 THR 49 -14.013 -1.624 -15.715 348 HG21 THR 49 HG21 THR 49 -17.067 -2.356 -13.142 349 HG22 THR 49 HG22 THR 49 -16.166 -0.863 -12.951 350 HG23 THR 49 HG23 THR 49 -17.077 -0.943 -14.343 351 H ASP 50 H ASP 50 -12.050 -2.433 -13.659 352 HA ASP 50 HA ASP 50 -11.091 -5.158 -14.197 353 HB2 ASP 50 HB2 ASP 50 -10.219 -4.285 -16.637 354 HB3 ASP 50 HB3 ASP 50 -11.981 -4.336 -16.379 355 H GLY 51 H GLY 51 -8.683 -5.175 -14.457 356 HA2 GLY 51 HA2 GLY 51 -7.553 -3.640 -12.278 357 HA3 GLY 51 HA3 GLY 51 -7.078 -5.066 -13.157 358 H GLY 52 H GLY 52 -4.988 -4.334 -13.183 359 HA2 GLY 52 HA2 GLY 52 -3.068 -3.710 -14.578 360 HA3 GLY 52 HA3 GLY 52 -4.312 -3.239 -15.680 361 H ASP 53 H ASP 53 -4.500 -1.370 -12.801 362 HA ASP 53 HA ASP 53 -3.674 0.819 -14.594 363 HB2 ASP 53 HB2 ASP 53 -4.981 1.148 -11.873 364 HB3 ASP 53 HB3 ASP 53 -4.532 2.388 -12.955 365 HA PRO 54 HA PRO 54 0.110 0.971 -12.359 366 HB2 PRO 54 HB3 PRO 54 1.449 3.131 -13.397 367 HB3 PRO 54 HB2 PRO 54 1.035 1.664 -14.347 368 HG2 PRO 54 HG3 PRO 54 -0.541 4.341 -14.083 369 HG3 PRO 54 HG2 PRO 54 -0.065 3.582 -15.521 370 HD2 PRO 54 HD3 PRO 54 -2.576 3.383 -14.282 371 HD3 PRO 54 HD2 PRO 54 -1.980 2.131 -15.323 372 H PHE 55 H PHE 55 0.888 1.284 -10.447 373 HA PHE 55 HA PHE 55 0.199 3.737 -8.993 374 HB2 PHE 55 HB2 PHE 55 -0.891 0.985 -8.332 375 HB3 PHE 55 HB3 PHE 55 -0.207 2.035 -7.079 376 HD1 PHE 55 HD1 PHE 55 -1.856 3.709 -6.095 377 HD2 PHE 55 HD2 PHE 55 -2.573 1.751 -9.902 378 HE1 PHE 55 HE1 PHE 55 -4.162 4.529 -6.130 379 HE2 PHE 55 HE2 PHE 55 -4.838 2.731 -9.885 380 HZ PHE 55 HZ PHE 55 -5.701 3.997 -7.966 381 H GLU 56 H GLU 56 1.271 3.948 -7.000 382 HA GLU 56 HA GLU 56 3.498 2.062 -6.416 383 HB2 GLU 56 HB2 GLU 56 4.454 3.510 -8.203 384 HB3 GLU 56 HB3 GLU 56 3.988 4.886 -7.325 385 HG2 GLU 56 HG2 GLU 56 5.464 4.428 -5.529 386 HG3 GLU 56 HG3 GLU 56 6.024 2.954 -6.237 387 H VAL 57 H VAL 57 4.236 2.117 -4.473 388 HA VAL 57 HA VAL 57 3.098 3.830 -2.341 389 HB VAL 57 HB VAL 57 3.809 0.850 -2.332 390 HG11 VAL 57 HG11 VAL 57 2.638 2.771 -0.382 391 HG12 VAL 57 HG12 VAL 57 2.433 1.060 -0.074 392 HG13 VAL 57 HG13 VAL 57 4.102 1.738 -0.069 393 HG21 VAL 57 HG21 VAL 57 1.711 1.528 -3.628 394 HG22 VAL 57 HG22 VAL 57 1.537 0.350 -2.335 395 HG23 VAL 57 HG23 VAL 57 0.922 1.884 -2.075 396 H ALA 58 H ALA 58 4.716 5.129 -1.927 397 HA ALA 58 HA ALA 58 7.608 4.155 -1.803 398 HB1 ALA 58 HB1 ALA 58 7.118 5.095 -3.823 399 HB2 ALA 58 HB2 ALA 58 6.561 6.651 -3.026 400 HB3 ALA 58 HB3 ALA 58 8.226 6.060 -2.983 401 H ILE 59 H ILE 59 8.857 4.842 -0.311 402 HA ILE 59 HA ILE 59 7.428 5.955 2.037 403 HB ILE 59 HB ILE 59 8.948 3.352 1.941 404 HG12 ILE 59 HG12 ILE 59 6.030 3.365 1.749 405 HG13 ILE 59 HG13 ILE 59 7.391 2.733 0.685 406 HG21 ILE 59 HG21 ILE 59 7.837 2.989 4.283 407 HG22 ILE 59 HG22 ILE 59 8.736 4.566 4.170 408 HG23 ILE 59 HG23 ILE 59 7.034 4.582 3.933 409 HD11 ILE 59 HD11 ILE 59 5.904 1.169 1.894 410 HD12 ILE 59 HD12 ILE 59 7.713 1.004 2.260 411 HD13 ILE 59 HD13 ILE 59 6.488 1.697 3.415 412 H ASN 60 H ASN 60 8.520 7.483 2.988 413 HA ASN 60 HA ASN 60 11.471 7.503 2.912 414 HB2 ASN 60 HB2 ASN 60 9.164 9.312 3.736 415 HB3 ASN 60 HB3 ASN 60 10.840 9.800 4.159 416 HD21 ASN 60 HD21 ASN 60 8.864 11.288 2.495 417 HD22 ASN 60 HD22 ASN 60 9.867 11.583 1.090 418 H GLY 61 H GLY 61 12.535 7.045 4.515 419 HA2 GLY 61 HA2 GLY 61 11.573 6.139 7.241 420 HA3 GLY 61 HA3 GLY 61 12.593 5.071 6.175 421 HA PRO 62 HA PRO 62 14.953 7.565 9.408 422 HB2 PRO 62 HB3 PRO 62 16.288 5.256 10.232 423 HB3 PRO 62 HB2 PRO 62 14.889 5.994 11.087 424 HG2 PRO 62 HG3 PRO 62 15.007 3.746 9.095 425 HG3 PRO 62 HG2 PRO 62 13.908 3.835 10.628 426 HD2 PRO 62 HD3 PRO 62 13.075 4.192 8.266 427 HD3 PRO 62 HD2 PRO 62 12.434 5.409 9.496 428 H ASP 63 H ASP 63 16.969 8.002 9.530 429 HA ASP 63 HA ASP 63 18.826 8.710 8.739 430 HB2 ASP 63 HB2 ASP 63 19.289 6.235 7.055 431 HB3 ASP 63 HB3 ASP 63 20.460 7.481 7.536 432 H GLY 64 H GLY 64 16.157 8.936 7.041 433 HA2 GLY 64 HA2 GLY 64 15.553 10.355 5.300 434 HA3 GLY 64 HA3 GLY 64 17.277 10.598 5.105 435 H LEU 65 H LEU 65 15.963 7.543 5.026 436 HA LEU 65 HA LEU 65 16.818 6.958 2.215 437 HB2 LEU 65 HB2 LEU 65 15.796 5.067 4.293 438 HB3 LEU 65 HB3 LEU 65 16.525 4.643 2.751 439 HG LEU 65 HG LEU 65 17.972 5.987 5.049 440 HD11 LEU 65 HD11 LEU 65 19.460 3.868 4.674 441 HD12 LEU 65 HD12 LEU 65 17.982 3.919 5.626 442 HD13 LEU 65 HD13 LEU 65 17.860 3.214 4.031 443 HD21 LEU 65 HD21 LEU 65 18.958 6.797 2.978 444 HD22 LEU 65 HD22 LEU 65 20.051 5.760 3.730 445 HD23 LEU 65 HD23 LEU 65 19.156 5.089 2.307 446 H VAL 66 H VAL 66 15.703 6.445 0.579 447 HA VAL 66 HA VAL 66 12.727 6.298 0.773 448 HB VAL 66 HB VAL 66 14.356 6.829 -1.780 449 HG11 VAL 66 HG11 VAL 66 12.117 7.718 -2.675 450 HG12 VAL 66 HG12 VAL 66 12.097 6.189 -2.155 451 HG13 VAL 66 HG13 VAL 66 11.551 7.553 -0.992 452 HG21 VAL 66 HG21 VAL 66 15.053 8.775 -0.679 453 HG22 VAL 66 HG22 VAL 66 13.658 9.262 -1.638 454 HG23 VAL 66 HG23 VAL 66 13.386 8.904 0.077 455 H VAL 67 H VAL 67 11.518 4.763 -0.070 456 HA VAL 67 HA VAL 67 12.746 2.407 -1.373 457 HB VAL 67 HB VAL 67 11.388 2.747 1.345 458 HG11 VAL 67 HG11 VAL 67 11.132 0.406 1.653 459 HG12 VAL 67 HG12 VAL 67 10.068 1.043 0.451 460 HG13 VAL 67 HG13 VAL 67 11.503 -0.016 0.011 461 HG21 VAL 67 HG21 VAL 67 13.884 2.621 1.216 462 HG22 VAL 67 HG22 VAL 67 13.021 1.437 2.297 463 HG23 VAL 67 HG23 VAL 67 13.647 0.923 0.751 464 H ASP 68 H ASP 68 11.234 1.311 -2.474 465 HA ASP 68 HA ASP 68 8.361 2.019 -2.019 466 HB2 ASP 68 HB2 ASP 68 7.720 1.925 -4.330 467 HB3 ASP 68 HB3 ASP 68 8.487 3.278 -3.792 468 H ALA 69 H ALA 69 6.950 0.696 -2.049 469 HA ALA 69 HA ALA 69 7.698 -1.980 -1.405 470 HB1 ALA 69 HB1 ALA 69 5.780 -1.930 0.137 471 HB2 ALA 69 HB2 ALA 69 6.579 -0.299 0.168 472 HB3 ALA 69 HB3 ALA 69 5.075 -0.601 -0.758 473 H LYS 70 H LYS 70 6.875 -3.922 -2.397 474 HA LYS 70 HA LYS 70 5.975 -3.450 -5.025 475 HB2 LYS 70 HB2 LYS 70 7.555 -5.172 -4.603 476 HB3 LYS 70 HB3 LYS 70 6.354 -5.952 -3.532 477 HG2 LYS 70 HG2 LYS 70 4.838 -6.151 -5.662 478 HG3 LYS 70 HG3 LYS 70 6.372 -5.701 -6.562 479 HD2 LYS 70 HD2 LYS 70 5.923 -8.084 -6.467 480 HD3 LYS 70 HD3 LYS 70 7.460 -7.594 -5.610 481 HE2 LYS 70 HE2 LYS 70 6.126 -7.739 -3.512 482 HE3 LYS 70 HE3 LYS 70 4.767 -8.373 -4.443 483 HZ1 LYS 70 HZ1 LYS 70 5.788 -10.188 -3.614 484 HZ2 LYS 70 HZ2 LYS 70 6.143 -10.227 -5.131 485 HZ3 LYS 70 HZ3 LYS 70 7.267 -9.824 -3.908 486 H VAL 71 H VAL 71 4.249 -3.561 -6.045 487 HA VAL 71 HA VAL 71 1.510 -3.885 -4.689 488 HB VAL 71 HB VAL 71 2.492 -2.145 -6.819 489 HG11 VAL 71 HG11 VAL 71 0.062 -1.293 -6.806 490 HG12 VAL 71 HG12 VAL 71 0.188 -2.978 -7.345 491 HG13 VAL 71 HG13 VAL 71 -0.371 -2.593 -5.675 492 HG21 VAL 71 HG21 VAL 71 1.936 -0.233 -5.292 493 HG22 VAL 71 HG22 VAL 71 1.237 -1.348 -4.136 494 HG23 VAL 71 HG23 VAL 71 2.993 -1.341 -4.574 495 H THR 72 H THR 72 0.326 -5.297 -5.447 496 HA THR 72 HA THR 72 0.705 -6.285 -8.221 497 HB THR 72 HB THR 72 0.562 -8.061 -5.879 498 HG1 THR 72 HG1 THR 72 2.674 -7.356 -6.231 499 HG21 THR 72 HG21 THR 72 -0.720 -8.965 -7.644 500 HG22 THR 72 HG22 THR 72 0.537 -8.598 -8.836 501 HG23 THR 72 HG23 THR 72 0.679 -9.900 -7.505 502 H ASP 73 H ASP 73 -0.992 -6.668 -9.280 503 HA ASP 73 HA ASP 73 -3.501 -5.636 -8.440 504 HB2 ASP 73 HB2 ASP 73 -2.691 -5.164 -10.569 505 HB3 ASP 73 HB3 ASP 73 -2.501 -6.818 -11.028 506 H ASN 74 H ASN 74 -5.385 -6.789 -7.859 507 HA ASN 74 HA ASN 74 -5.094 -9.646 -7.549 508 HB2 ASN 74 HB2 ASN 74 -7.105 -7.840 -6.222 509 HB3 ASN 74 HB3 ASN 74 -6.871 -9.443 -5.757 510 HD21 ASN 74 HD21 ASN 74 -6.300 -6.710 -4.493 511 HD22 ASN 74 HD22 ASN 74 -4.779 -6.968 -3.526 512 H ASN 75 H ASN 75 -6.471 -7.691 -9.875 513 HA ASN 75 HA ASN 75 -7.893 -8.149 -11.468 514 HB2 ASN 75 HB2 ASN 75 -7.611 -10.995 -10.671 515 HB3 ASN 75 HB3 ASN 75 -8.244 -10.441 -12.167 516 HD21 ASN 75 HD21 ASN 75 -5.815 -8.185 -11.426 517 HD22 ASN 75 HD22 ASN 75 -4.590 -8.834 -12.450 518 H ASP 76 H ASP 76 -9.029 -7.210 -9.098 519 HA ASP 76 HA ASP 76 -11.768 -7.989 -9.289 520 HB2 ASP 76 HB2 ASP 76 -12.008 -8.642 -6.906 521 HB3 ASP 76 HB3 ASP 76 -10.875 -9.605 -7.697 522 H GLY 77 H GLY 77 -9.812 -5.521 -9.181 523 HA2 GLY 77 HA2 GLY 77 -10.808 -3.168 -9.206 524 HA3 GLY 77 HA3 GLY 77 -11.747 -3.635 -7.826 525 H THR 78 H THR 78 -9.113 -5.199 -6.914 526 HA THR 78 HA THR 78 -7.897 -2.817 -5.766 527 HB THR 78 HB THR 78 -7.549 -4.194 -3.635 528 HG1 THR 78 HG1 THR 78 -8.505 -6.221 -5.324 529 HG21 THR 78 HG21 THR 78 -9.873 -5.111 -3.045 530 HG22 THR 78 HG22 THR 78 -10.042 -3.486 -3.832 531 HG23 THR 78 HG23 THR 78 -10.382 -4.991 -4.681 532 H TYR 79 H TYR 79 -5.835 -3.156 -4.543 533 HA TYR 79 HA TYR 79 -4.108 -5.044 -6.080 534 HB2 TYR 79 HB2 TYR 79 -3.629 -2.171 -5.259 535 HB3 TYR 79 HB3 TYR 79 -2.405 -3.242 -5.900 536 HD1 TYR 79 HD1 TYR 79 -2.290 -3.480 -8.419 537 HD2 TYR 79 HD2 TYR 79 -5.566 -1.454 -6.498 538 HE1 TYR 79 HE1 TYR 79 -3.092 -2.819 -10.600 539 HE2 TYR 79 HE2 TYR 79 -6.562 -1.025 -8.879 540 HH TYR 79 HH TYR 79 -6.367 -1.526 -11.029 541 H GLY 80 H GLY 80 -2.776 -6.244 -4.844 542 HA2 GLY 80 HA2 GLY 80 -2.586 -5.850 -1.918 543 HA3 GLY 80 HA3 GLY 80 -1.873 -7.215 -3.045 544 H VAL 81 H VAL 81 -1.192 -5.046 -0.966 545 HA VAL 81 HA VAL 81 1.443 -4.306 -2.113 546 HB VAL 81 HB VAL 81 0.137 -2.954 0.293 547 HG11 VAL 81 HG11 VAL 81 2.692 -2.834 -0.011 548 HG12 VAL 81 HG12 VAL 81 2.306 -2.104 -1.567 549 HG13 VAL 81 HG13 VAL 81 1.723 -1.330 0.038 550 HG21 VAL 81 HG21 VAL 81 0.152 -2.070 -2.618 551 HG22 VAL 81 HG22 VAL 81 -1.226 -2.418 -1.561 552 HG23 VAL 81 HG23 VAL 81 -0.455 -1.000 -1.218 553 H VAL 82 H VAL 82 3.371 -4.803 -0.888 554 HA VAL 82 HA VAL 82 3.001 -6.342 1.604 555 HB VAL 82 HB VAL 82 3.020 -7.969 0.038 556 HG11 VAL 82 HG11 VAL 82 5.679 -7.160 -1.155 557 HG12 VAL 82 HG12 VAL 82 4.668 -8.633 -1.411 558 HG13 VAL 82 HG13 VAL 82 4.112 -7.109 -1.999 559 HG21 VAL 82 HG21 VAL 82 4.245 -8.347 2.111 560 HG22 VAL 82 HG22 VAL 82 4.859 -9.324 0.880 561 HG23 VAL 82 HG23 VAL 82 5.835 -7.949 1.184 562 H TYR 83 H TYR 83 4.412 -5.879 2.986 563 HA TYR 83 HA TYR 83 6.964 -4.691 2.124 564 HB2 TYR 83 HB2 TYR 83 5.646 -2.847 1.955 565 HB3 TYR 83 HB3 TYR 83 4.802 -3.120 3.549 566 HD1 TYR 83 HD1 TYR 83 5.453 -1.798 5.307 567 HD2 TYR 83 HD2 TYR 83 8.057 -2.269 1.935 568 HE1 TYR 83 HE1 TYR 83 7.343 -0.655 6.503 569 HE2 TYR 83 HE2 TYR 83 9.760 -0.766 2.980 570 HH TYR 83 HH TYR 83 9.520 0.403 6.346 571 H ASP 84 H ASP 84 8.600 -4.334 3.809 572 HA ASP 84 HA ASP 84 8.191 -5.593 6.280 573 HB2 ASP 84 HB2 ASP 84 10.289 -6.884 6.123 574 HB3 ASP 84 HB3 ASP 84 8.868 -7.576 5.253 575 H ALA 85 H ALA 85 9.681 -5.020 7.709 576 HA ALA 85 HA ALA 85 10.992 -2.470 7.061 577 HB1 ALA 85 HB1 ALA 85 10.673 -1.695 9.294 578 HB2 ALA 85 HB2 ALA 85 9.091 -2.387 8.781 579 HB3 ALA 85 HB3 ALA 85 10.275 -3.256 9.931 580 HA PRO 86 HA PRO 86 14.691 -4.658 8.417 581 HB2 PRO 86 HB3 PRO 86 16.554 -2.941 7.554 582 HB3 PRO 86 HB2 PRO 86 15.552 -3.895 6.395 583 HG2 PRO 86 HG3 PRO 86 15.157 -1.086 7.395 584 HG3 PRO 86 HG2 PRO 86 15.103 -1.624 5.696 585 HD2 PRO 86 HD3 PRO 86 12.723 -1.376 6.887 586 HD3 PRO 86 HD2 PRO 86 13.111 -2.766 5.818 587 H VAL 87 H VAL 87 13.753 -1.505 9.741 588 HA VAL 87 HA VAL 87 15.473 -2.105 12.050 589 HB VAL 87 HB VAL 87 15.846 0.253 12.129 590 HG11 VAL 87 HG11 VAL 87 17.337 0.473 10.330 591 HG12 VAL 87 HG12 VAL 87 17.248 -1.134 10.872 592 HG13 VAL 87 HG13 VAL 87 16.338 -0.767 9.369 593 HG21 VAL 87 HG21 VAL 87 13.889 1.464 11.044 594 HG22 VAL 87 HG22 VAL 87 15.201 1.742 9.958 595 HG23 VAL 87 HG23 VAL 87 14.074 0.410 9.655 596 H GLU 88 H GLU 88 14.511 -1.749 13.942 597 HA GLU 88 HA GLU 88 11.838 -1.184 14.400 598 HB2 GLU 88 HB2 GLU 88 13.312 -1.870 16.343 599 HB3 GLU 88 HB3 GLU 88 14.107 -0.362 16.226 600 HG2 GLU 88 HG2 GLU 88 12.106 0.849 16.856 601 HG3 GLU 88 HG3 GLU 88 11.093 -0.555 16.578 602 H GLY 89 H GLY 89 10.695 0.685 13.699 603 HA2 GLY 89 HA2 GLY 89 11.666 3.384 14.169 604 HA3 GLY 89 HA3 GLY 89 11.922 2.762 12.456 605 H ASN 90 H ASN 90 10.455 5.030 12.815 606 HA ASN 90 HA ASN 90 7.889 4.136 12.085 607 HB2 ASN 90 HB2 ASN 90 8.036 6.007 13.935 608 HB3 ASN 90 HB3 ASN 90 8.507 7.132 12.671 609 HD21 ASN 90 HD21 ASN 90 6.040 6.506 14.539 610 HD22 ASN 90 HD22 ASN 90 4.675 6.599 13.412 611 H TYR 91 H TYR 91 7.174 4.442 10.192 612 HA TYR 91 HA TYR 91 9.018 5.583 8.151 613 HB2 TYR 91 HB2 TYR 91 7.629 2.896 8.419 614 HB3 TYR 91 HB3 TYR 91 7.770 3.558 6.818 615 HD1 TYR 91 HD1 TYR 91 9.907 2.428 9.826 616 HD2 TYR 91 HD2 TYR 91 9.627 3.066 5.598 617 HE1 TYR 91 HE1 TYR 91 12.153 1.502 9.528 618 HE2 TYR 91 HE2 TYR 91 11.940 2.360 5.326 619 HH TYR 91 HH TYR 91 13.630 1.186 6.165 620 H ASN 92 H ASN 92 8.192 6.462 6.333 621 HA ASN 92 HA ASN 92 5.361 7.326 6.646 622 HB2 ASN 92 HB2 ASN 92 7.264 8.923 7.114 623 HB3 ASN 92 HB3 ASN 92 7.839 8.646 5.398 624 HD21 ASN 92 HD21 ASN 92 4.705 9.777 7.146 625 HD22 ASN 92 HD22 ASN 92 4.541 11.047 6.152 626 H VAL 93 H VAL 93 3.955 6.812 5.234 627 HA VAL 93 HA VAL 93 4.979 5.691 2.673 628 HB VAL 93 HB VAL 93 2.350 4.953 3.930 629 HG11 VAL 93 HG11 VAL 93 3.906 4.206 1.435 630 HG12 VAL 93 HG12 VAL 93 2.545 3.186 1.988 631 HG13 VAL 93 HG13 VAL 93 2.244 4.767 1.412 632 HG21 VAL 93 HG21 VAL 93 4.859 3.313 3.639 633 HG22 VAL 93 HG22 VAL 93 4.228 4.026 5.131 634 HG23 VAL 93 HG23 VAL 93 3.282 2.840 4.384 635 H ASN 94 H ASN 94 4.462 6.735 0.806 636 HA ASN 94 HA ASN 94 2.166 8.363 0.682 637 HB2 ASN 94 HB2 ASN 94 4.318 9.723 0.593 638 HB3 ASN 94 HB3 ASN 94 4.828 8.866 -0.737 639 HD21 ASN 94 HD21 ASN 94 4.184 10.289 -2.755 640 HD22 ASN 94 HD22 ASN 94 2.762 11.258 -2.771 641 H VAL 95 H VAL 95 0.720 7.854 -0.937 642 HA VAL 95 HA VAL 95 1.564 5.639 -2.873 643 HB VAL 95 HB VAL 95 -1.024 6.153 -1.547 644 HG11 VAL 95 HG11 VAL 95 -0.268 3.627 -3.090 645 HG12 VAL 95 HG12 VAL 95 -1.781 4.053 -2.353 646 HG13 VAL 95 HG13 VAL 95 -1.254 4.986 -3.692 647 HG21 VAL 95 HG21 VAL 95 0.438 5.253 0.200 648 HG22 VAL 95 HG22 VAL 95 -0.559 4.022 -0.408 649 HG23 VAL 95 HG23 VAL 95 1.179 4.146 -0.977 650 H THR 96 H THR 96 1.163 5.926 -4.974 651 HA THR 96 HA THR 96 -0.253 8.407 -5.810 652 HB THR 96 HB THR 96 1.552 8.422 -7.650 653 HG1 THR 96 HG1 THR 96 2.974 7.007 -5.705 654 HG21 THR 96 HG21 THR 96 2.292 9.287 -4.814 655 HG22 THR 96 HG22 THR 96 3.458 9.284 -6.035 656 HG23 THR 96 HG23 THR 96 1.893 10.239 -6.272 657 H LEU 97 H LEU 97 -1.047 8.379 -7.937 658 HA LEU 97 HA LEU 97 -1.868 5.838 -8.846 659 HB2 LEU 97 HB2 LEU 97 -3.091 7.418 -7.357 660 HB3 LEU 97 HB3 LEU 97 -3.005 8.671 -8.507 661 HG LEU 97 HG LEU 97 -4.532 6.144 -9.202 662 HD11 LEU 97 HD11 LEU 97 -5.340 7.203 -7.095 663 HD12 LEU 97 HD12 LEU 97 -5.675 8.647 -8.027 664 HD13 LEU 97 HD13 LEU 97 -6.545 7.015 -8.129 665 HD21 LEU 97 HD21 LEU 97 -4.586 9.132 -10.257 666 HD22 LEU 97 HD22 LEU 97 -4.161 7.666 -11.128 667 HD23 LEU 97 HD23 LEU 97 -5.817 7.872 -10.517 668 H ARG 98 H ARG 98 -0.708 5.567 -10.849 669 HA ARG 98 HA ARG 98 0.360 6.186 -12.958 670 HB2 ARG 98 HB2 ARG 98 -2.043 6.389 -13.310 671 HB3 ARG 98 HB3 ARG 98 -1.835 8.201 -13.125 672 HG2 ARG 98 HG2 ARG 98 -0.366 8.006 -15.165 673 HG3 ARG 98 HG3 ARG 98 -0.629 6.296 -15.253 674 HD2 ARG 98 HD2 ARG 98 -2.141 7.301 -16.802 675 HD3 ARG 98 HD3 ARG 98 -3.113 6.745 -15.426 676 HE ARG 98 HE ARG 98 -2.115 9.511 -15.962 677 HH11 ARG 98 HH11 ARG 98 -4.584 7.637 -13.966 678 HH12 ARG 98 HH12 ARG 98 -5.383 9.047 -13.576 679 HH21 ARG 98 HH21 ARG 98 -3.532 11.196 -15.680 680 HH22 ARG 98 HH22 ARG 98 -4.754 11.207 -14.562 681 H GLY 99 H GLY 99 1.530 7.301 -10.736 682 HA2 GLY 99 HA2 GLY 99 2.917 9.112 -9.945 683 HA3 GLY 99 HA3 GLY 99 2.797 9.405 -11.642 684 H ASN 100 H ASN 100 -0.037 9.505 -9.735 685 HA ASN 100 HA ASN 100 0.153 12.443 -9.309 686 HB2 ASN 100 HB2 ASN 100 -2.309 10.667 -9.641 687 HB3 ASN 100 HB3 ASN 100 -2.451 12.426 -9.353 688 HD21 ASN 100 HD21 ASN 100 -2.151 10.150 -11.624 689 HD22 ASN 100 HD22 ASN 100 -1.932 11.204 -13.083 690 HA PRO 101 HA PRO 101 -0.352 11.256 -5.076 691 HB2 PRO 101 HB3 PRO 101 -0.850 13.631 -3.830 692 HB3 PRO 101 HB2 PRO 101 0.793 13.234 -4.506 693 HG2 PRO 101 HG3 PRO 101 -1.314 14.912 -5.841 694 HG3 PRO 101 HG2 PRO 101 0.385 15.216 -5.589 695 HD2 PRO 101 HD3 PRO 101 -0.442 14.142 -7.963 696 HD3 PRO 101 HD2 PRO 101 1.095 13.639 -7.207 697 H ILE 102 H ILE 102 -2.039 11.837 -3.326 698 HA ILE 102 HA ILE 102 -4.663 11.908 -4.350 699 HB ILE 102 HB ILE 102 -5.355 9.702 -3.648 700 HG12 ILE 102 HG12 ILE 102 -2.398 9.293 -2.797 701 HG13 ILE 102 HG13 ILE 102 -3.852 9.213 -1.875 702 HG21 ILE 102 HG21 ILE 102 -4.642 9.861 -5.928 703 HG22 ILE 102 HG22 ILE 102 -2.957 9.458 -5.549 704 HG23 ILE 102 HG23 ILE 102 -4.370 8.331 -5.340 705 HD11 ILE 102 HD11 ILE 102 -4.525 7.200 -3.221 706 HD12 ILE 102 HD12 ILE 102 -2.957 7.283 -3.987 707 HD13 ILE 102 HD13 ILE 102 -3.111 7.046 -2.171 708 H LYS 103 H LYS 103 -6.074 10.893 -1.849 709 HA LYS 103 HA LYS 103 -5.670 13.370 -0.454 710 HB2 LYS 103 HB2 LYS 103 -7.765 11.135 -0.506 711 HB3 LYS 103 HB3 LYS 103 -7.800 12.552 0.622 712 HG2 LYS 103 HG2 LYS 103 -8.177 14.139 -1.034 713 HG3 LYS 103 HG3 LYS 103 -7.657 12.973 -2.329 714 HD2 LYS 103 HD2 LYS 103 -9.944 13.198 -2.516 715 HD3 LYS 103 HD3 LYS 103 -9.803 11.695 -1.656 716 HE2 LYS 103 HE2 LYS 103 -10.177 12.630 0.532 717 HE3 LYS 103 HE3 LYS 103 -10.117 14.300 -0.351 718 HZ1 LYS 103 HZ1 LYS 103 -12.179 13.483 -1.378 719 HZ2 LYS 103 HZ2 LYS 103 -12.130 12.322 -0.077 720 HZ3 LYS 103 HZ3 LYS 103 -12.245 13.900 0.210 721 H ASN 104 H ASN 104 -5.782 13.202 1.780 722 HA ASN 104 HA ASN 104 -5.320 12.543 3.849 723 HB2 ASN 104 HB2 ASN 104 -5.863 9.753 3.137 724 HB3 ASN 104 HB3 ASN 104 -5.397 10.262 4.686 725 HD21 ASN 104 HD21 ASN 104 -6.917 11.475 6.125 726 HD22 ASN 104 HD22 ASN 104 -8.529 11.504 5.601 727 H MET 105 H MET 105 -3.267 11.011 1.459 728 HA MET 105 HA MET 105 -1.243 10.322 2.664 729 HB2 MET 105 HB2 MET 105 -1.519 11.686 -0.013 730 HB3 MET 105 HB3 MET 105 -0.007 10.948 0.530 731 HG2 MET 105 HG2 MET 105 -2.559 9.289 0.472 732 HG3 MET 105 HG3 MET 105 -1.320 9.364 -0.812 733 HE1 MET 105 HE1 MET 105 -1.537 6.065 1.815 734 HE2 MET 105 HE2 MET 105 -2.512 7.397 2.192 735 HE3 MET 105 HE3 MET 105 -2.511 6.769 0.527 736 HA PRO 106 HA PRO 106 1.199 10.098 2.525 737 HB2 PRO 106 HB3 PRO 106 3.493 10.500 3.941 738 HB3 PRO 106 HB2 PRO 106 3.354 11.075 2.292 739 HG2 PRO 106 HG3 PRO 106 2.941 12.490 4.930 740 HG3 PRO 106 HG2 PRO 106 3.844 13.208 3.551 741 HD2 PRO 106 HD3 PRO 106 1.327 14.055 3.728 742 HD3 PRO 106 HD2 PRO 106 2.142 13.490 2.236 743 H ILE 107 H ILE 107 1.605 8.664 4.366 744 HA ILE 107 HA ILE 107 0.406 9.428 6.950 745 HB ILE 107 HB ILE 107 -0.954 7.346 7.000 746 HG12 ILE 107 HG12 ILE 107 -0.680 7.412 3.876 747 HG13 ILE 107 HG13 ILE 107 0.277 6.511 4.857 748 HG21 ILE 107 HG21 ILE 107 -1.608 9.644 5.167 749 HG22 ILE 107 HG22 ILE 107 -2.757 8.484 5.874 750 HG23 ILE 107 HG23 ILE 107 -1.764 9.615 6.879 751 HD11 ILE 107 HD11 ILE 107 -1.470 5.130 4.261 752 HD12 ILE 107 HD12 ILE 107 -1.873 5.434 5.971 753 HD13 ILE 107 HD13 ILE 107 -2.777 6.318 4.730 754 H ASP 108 H ASP 108 0.730 7.471 8.632 755 HA ASP 108 HA ASP 108 3.660 6.890 8.480 756 HB2 ASP 108 HB2 ASP 108 1.974 7.913 10.746 757 HB3 ASP 108 HB3 ASP 108 3.701 7.442 10.787 758 H VAL 109 H VAL 109 4.467 5.273 9.558 759 HA VAL 109 HA VAL 109 2.669 3.179 10.561 760 HB VAL 109 HB VAL 109 4.604 2.815 8.407 761 HG11 VAL 109 HG11 VAL 109 3.980 0.359 8.286 762 HG12 VAL 109 HG12 VAL 109 5.109 0.903 9.525 763 HG13 VAL 109 HG13 VAL 109 3.332 0.535 9.923 764 HG21 VAL 109 HG21 VAL 109 1.676 1.936 8.599 765 HG22 VAL 109 HG22 VAL 109 2.314 3.336 7.618 766 HG23 VAL 109 HG23 VAL 109 2.673 1.652 7.217 767 H LYS 110 H LYS 110 3.337 2.484 12.520 768 HA LYS 110 HA LYS 110 6.260 2.642 13.213 769 HB2 LYS 110 HB2 LYS 110 4.486 3.400 14.760 770 HB3 LYS 110 HB3 LYS 110 4.022 1.669 14.894 771 HG2 LYS 110 HG2 LYS 110 6.323 1.004 15.573 772 HG3 LYS 110 HG3 LYS 110 6.843 2.623 15.352 773 HD2 LYS 110 HD2 LYS 110 4.810 3.069 17.095 774 HD3 LYS 110 HD3 LYS 110 5.090 1.322 17.414 775 HE2 LYS 110 HE2 LYS 110 7.514 1.762 17.910 776 HE3 LYS 110 HE3 LYS 110 7.216 3.452 17.686 777 HZ1 LYS 110 HZ1 LYS 110 5.855 1.733 19.639 778 HZ2 LYS 110 HZ2 LYS 110 7.033 2.836 19.970 779 HZ3 LYS 110 HZ3 LYS 110 5.689 3.451 19.415 780 H CYS 111 H CYS 111 7.643 1.133 13.164 781 HA CYS 111 HA CYS 111 6.944 -1.651 12.212 782 HB2 CYS 111 HB2 CYS 111 9.239 0.143 11.881 783 HB3 CYS 111 HB3 CYS 111 9.124 -1.560 11.276 784 HG CYS 111 HG CYS 111 7.444 -1.269 9.493 785 H ILE 112 H ILE 112 7.714 -3.289 13.660 786 HA ILE 112 HA ILE 112 9.852 -2.503 15.556 787 HB ILE 112 HB ILE 112 7.535 -4.414 15.964 788 HG12 ILE 112 HG12 ILE 112 6.608 -2.166 16.214 789 HG13 ILE 112 HG13 ILE 112 6.647 -3.002 17.762 790 HG21 ILE 112 HG21 ILE 112 9.477 -3.502 18.027 791 HG22 ILE 112 HG22 ILE 112 8.167 -4.721 18.254 792 HG23 ILE 112 HG23 ILE 112 9.640 -5.053 17.237 793 HD11 ILE 112 HD11 ILE 112 8.558 -1.502 18.362 794 HD12 ILE 112 HD12 ILE 112 8.269 -0.694 16.770 795 HD13 ILE 112 HD13 ILE 112 7.002 -0.700 17.996 796 H GLU 113 H GLU 113 11.539 -4.120 15.799 797 HA GLU 113 HA GLU 113 12.060 -5.083 13.307 798 HB2 GLU 113 HB2 GLU 113 13.420 -3.793 14.942 799 HB3 GLU 113 HB3 GLU 113 14.033 -5.380 15.441 800 HG2 GLU 113 HG2 GLU 113 14.608 -5.801 13.112 801 HG3 GLU 113 HG3 GLU 113 13.895 -4.201 12.688 802 H GLY 114 H GLY 114 10.118 -6.880 14.123 803 HA2 GLY 114 HA2 GLY 114 11.103 -9.263 15.464 804 HA3 GLY 114 HA3 GLY 114 9.517 -8.972 14.598 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -11.617 -13.566 -5.144 2 H2 MET 1 H2 MET 1 -13.000 -13.871 -4.222 3 H3 MET 1 H3 MET 1 -12.819 -14.375 -5.801 4 HA MET 1 HA MET 1 -14.366 -12.764 -5.914 5 HB2 MET 1 HB2 MET 1 -12.373 -11.040 -4.474 6 HB3 MET 1 HB3 MET 1 -13.754 -10.354 -5.269 7 HG2 MET 1 HG2 MET 1 -13.958 -12.517 -3.112 8 HG3 MET 1 HG3 MET 1 -13.748 -10.790 -2.734 9 HE1 MET 1 HE1 MET 1 -15.931 -10.196 -1.623 10 HE2 MET 1 HE2 MET 1 -17.491 -11.138 -1.924 11 HE3 MET 1 HE3 MET 1 -16.172 -12.041 -1.425 12 H HIS 2 H HIS 2 -14.466 -11.220 -7.492 13 HA HIS 2 HA HIS 2 -12.161 -11.332 -9.341 14 HB2 HIS 2 HB2 HIS 2 -13.643 -13.445 -9.355 15 HB3 HIS 2 HB3 HIS 2 -14.949 -12.517 -9.884 16 HD1 HIS 2 HD1 HIS 2 -11.262 -12.920 -11.215 17 HD2 HIS 2 HD2 HIS 2 -15.202 -12.730 -12.454 18 HE1 HIS 2 HE1 HIS 2 -11.185 -13.445 -13.610 19 H HIS 3 H HIS 3 -12.168 -10.181 -11.070 20 HA HIS 3 HA HIS 3 -13.307 -7.633 -11.438 21 HB2 HIS 3 HB2 HIS 3 -12.041 -9.764 -13.242 22 HB3 HIS 3 HB3 HIS 3 -12.468 -8.213 -13.943 23 HD1 HIS 3 HD1 HIS 3 -11.649 -6.339 -11.613 24 HD2 HIS 3 HD2 HIS 3 -9.321 -9.143 -13.669 25 HE1 HIS 3 HE1 HIS 3 -9.248 -5.575 -11.251 26 H HIS 4 H HIS 4 -14.996 -6.848 -12.382 27 HA HIS 4 HA HIS 4 -16.908 -8.561 -13.802 28 HB2 HIS 4 HB2 HIS 4 -18.701 -7.237 -12.382 29 HB3 HIS 4 HB3 HIS 4 -17.908 -8.571 -11.795 30 HD1 HIS 4 HD1 HIS 4 -16.499 -8.292 -9.793 31 HD2 HIS 4 HD2 HIS 4 -17.695 -4.603 -11.313 32 HE1 HIS 4 HE1 HIS 4 -15.767 -6.480 -8.061 33 H HIS 5 H HIS 5 -15.516 -7.320 -15.517 34 HA HIS 5 HA HIS 5 -16.557 -4.742 -16.292 35 HB2 HIS 5 HB2 HIS 5 -14.974 -5.107 -18.241 36 HB3 HIS 5 HB3 HIS 5 -14.154 -5.075 -16.671 37 HD1 HIS 5 HD1 HIS 5 -14.783 -7.258 -19.519 38 HD2 HIS 5 HD2 HIS 5 -13.051 -7.315 -15.823 39 HE1 HIS 5 HE1 HIS 5 -13.374 -9.527 -19.421 40 H HIS 6 H HIS 6 -17.723 -4.511 -18.320 41 HA HIS 6 HA HIS 6 -18.938 -6.885 -19.533 42 HB2 HIS 6 HB2 HIS 6 -20.430 -4.499 -18.640 43 HB3 HIS 6 HB3 HIS 6 -21.109 -5.880 -19.523 44 HD1 HIS 6 HD1 HIS 6 -20.354 -4.824 -16.042 45 HD2 HIS 6 HD2 HIS 6 -20.801 -8.570 -17.915 46 HE1 HIS 6 HE1 HIS 6 -20.369 -6.592 -14.256 47 H HIS 7 H HIS 7 -17.732 -3.639 -19.985 48 HA HIS 7 HA HIS 7 -18.067 -3.862 -22.906 49 HB2 HIS 7 HB2 HIS 7 -18.633 -1.552 -23.060 50 HB3 HIS 7 HB3 HIS 7 -19.709 -2.354 -22.073 51 HD1 HIS 7 HD1 HIS 7 -17.334 0.649 -21.673 52 HD2 HIS 7 HD2 HIS 7 -20.026 -1.850 -19.519 53 HE1 HIS 7 HE1 HIS 7 -17.544 1.647 -19.409 54 H ALA 8 H ALA 8 -16.221 -3.189 -24.203 55 HA ALA 8 HA ALA 8 -13.875 -3.288 -22.865 56 HB1 ALA 8 HB1 ALA 8 -14.694 -2.349 -25.686 57 HB2 ALA 8 HB2 ALA 8 -13.101 -2.702 -25.180 58 HB3 ALA 8 HB3 ALA 8 -14.358 -4.003 -25.169 59 H SER 9 H SER 9 -15.389 -0.008 -23.710 60 HA SER 9 HA SER 9 -13.045 1.388 -23.026 61 HB2 SER 9 HB2 SER 9 -14.746 3.150 -22.368 62 HB3 SER 9 HB3 SER 9 -14.461 2.618 -24.036 63 HG SER 9 HG SER 9 -16.651 2.750 -23.717 64 H LYS 10 H LYS 10 -12.157 1.852 -21.205 65 HA LYS 10 HA LYS 10 -13.399 1.258 -18.548 66 HB2 LYS 10 HB2 LYS 10 -11.267 0.786 -17.688 67 HB3 LYS 10 HB3 LYS 10 -11.654 -0.313 -18.956 68 HG2 LYS 10 HG2 LYS 10 -10.152 0.942 -20.559 69 HG3 LYS 10 HG3 LYS 10 -9.679 1.971 -19.242 70 HD2 LYS 10 HD2 LYS 10 -8.523 0.423 -18.062 71 HD3 LYS 10 HD3 LYS 10 -9.138 -0.937 -19.067 72 HE2 LYS 10 HE2 LYS 10 -8.129 0.246 -20.991 73 HE3 LYS 10 HE3 LYS 10 -7.376 1.380 -19.755 74 HZ1 LYS 10 HZ1 LYS 10 -5.727 -0.173 -20.115 75 HZ2 LYS 10 HZ2 LYS 10 -6.381 -0.469 -18.748 76 HZ3 LYS 10 HZ3 LYS 10 -6.748 -1.520 -19.942 77 HA PRO 11 HA PRO 11 -11.814 5.447 -17.290 78 HB2 PRO 11 HB3 PRO 11 -13.040 5.551 -15.027 79 HB3 PRO 11 HB2 PRO 11 -14.131 5.473 -16.424 80 HG2 PRO 11 HG3 PRO 11 -13.412 3.130 -14.599 81 HG3 PRO 11 HG2 PRO 11 -15.028 3.636 -15.297 82 HD2 PRO 11 HD3 PRO 11 -12.998 1.793 -16.186 83 HD3 PRO 11 HD2 PRO 11 -14.374 2.466 -17.259 84 H ALA 12 H ALA 12 -10.879 6.169 -15.257 85 HA ALA 12 HA ALA 12 -8.836 4.144 -14.501 86 HB1 ALA 12 HB1 ALA 12 -8.506 7.106 -14.901 87 HB2 ALA 12 HB2 ALA 12 -7.169 5.998 -14.370 88 HB3 ALA 12 HB3 ALA 12 -7.781 5.851 -15.952 89 HA PRO 13 HA PRO 13 -9.818 4.979 -10.204 90 HB2 PRO 13 HB3 PRO 13 -6.868 5.653 -10.178 91 HB3 PRO 13 HB2 PRO 13 -7.988 5.004 -8.943 92 HG2 PRO 13 HG3 PRO 13 -6.416 3.308 -10.521 93 HG3 PRO 13 HG2 PRO 13 -8.282 3.099 -10.379 94 HD2 PRO 13 HD3 PRO 13 -6.833 4.808 -12.460 95 HD3 PRO 13 HD2 PRO 13 -7.901 3.302 -12.725 96 H SER 14 H SER 14 -9.977 6.877 -8.631 97 HA SER 14 HA SER 14 -8.697 9.342 -9.532 98 HB2 SER 14 HB2 SER 14 -11.006 9.651 -10.065 99 HB3 SER 14 HB3 SER 14 -11.524 8.991 -8.502 100 HG SER 14 HG SER 14 -11.510 11.406 -8.692 101 H ALA 15 H ALA 15 -7.814 10.360 -7.755 102 HA ALA 15 HA ALA 15 -7.299 9.428 -5.233 103 HB1 ALA 15 HB1 ALA 15 -6.121 11.350 -6.369 104 HB2 ALA 15 HB2 ALA 15 -7.586 12.255 -6.544 105 HB3 ALA 15 HB3 ALA 15 -6.977 11.931 -4.886 106 H GLU 16 H GLU 16 -10.281 11.082 -6.316 107 HA GLU 16 HA GLU 16 -11.426 11.499 -3.809 108 HB2 GLU 16 HB2 GLU 16 -12.593 10.967 -6.567 109 HB3 GLU 16 HB3 GLU 16 -13.474 11.478 -5.124 110 HG2 GLU 16 HG2 GLU 16 -12.175 13.383 -4.755 111 HG3 GLU 16 HG3 GLU 16 -11.131 13.063 -6.150 112 H HIS 17 H HIS 17 -10.957 8.630 -5.647 113 HA HIS 17 HA HIS 17 -12.764 7.005 -4.052 114 HB2 HIS 17 HB2 HIS 17 -12.441 7.046 -7.061 115 HB3 HIS 17 HB3 HIS 17 -13.628 6.048 -6.213 116 HD1 HIS 17 HD1 HIS 17 -15.291 7.803 -4.521 117 HD2 HIS 17 HD2 HIS 17 -13.891 8.936 -8.364 118 HE1 HIS 17 HE1 HIS 17 -16.500 9.968 -5.265 119 H SER 18 H SER 18 -9.675 6.968 -4.281 120 HA SER 18 HA SER 18 -9.800 4.074 -4.025 121 HB2 SER 18 HB2 SER 18 -9.083 4.277 -6.246 122 HB3 SER 18 HB3 SER 18 -7.807 5.554 -5.804 123 HG SER 18 HG SER 18 -6.773 3.850 -4.689 124 H TYR 19 H TYR 19 -8.734 3.287 -2.425 125 HA TYR 19 HA TYR 19 -7.340 4.912 -0.603 126 HB2 TYR 19 HB2 TYR 19 -10.172 4.120 -0.250 127 HB3 TYR 19 HB3 TYR 19 -9.225 4.603 1.187 128 HD1 TYR 19 HD1 TYR 19 -11.485 5.816 -1.263 129 HD2 TYR 19 HD2 TYR 19 -7.722 7.014 0.625 130 HE1 TYR 19 HE1 TYR 19 -12.030 8.264 -1.428 131 HE2 TYR 19 HE2 TYR 19 -8.426 9.362 0.465 132 HH TYR 19 HH TYR 19 -9.813 10.619 -0.078 133 H ALA 20 H ALA 20 -6.600 3.629 1.155 134 HA ALA 20 HA ALA 20 -6.849 0.691 0.834 135 HB1 ALA 20 HB1 ALA 20 -4.409 0.557 1.190 136 HB2 ALA 20 HB2 ALA 20 -4.788 1.590 -0.221 137 HB3 ALA 20 HB3 ALA 20 -4.342 2.305 1.365 138 H GLU 21 H GLU 21 -6.436 -0.851 2.314 139 HA GLU 21 HA GLU 21 -5.836 -0.077 4.923 140 HB2 GLU 21 HB2 GLU 21 -7.944 -1.233 5.964 141 HB3 GLU 21 HB3 GLU 21 -8.351 0.081 4.867 142 HG2 GLU 21 HG2 GLU 21 -8.897 -1.312 3.027 143 HG3 GLU 21 HG3 GLU 21 -8.387 -2.774 3.973 144 H GLY 22 H GLY 22 -5.096 -1.504 6.395 145 HA2 GLY 22 HA2 GLY 22 -5.298 -4.265 6.550 146 HA3 GLY 22 HA3 GLY 22 -4.125 -4.056 5.333 147 H GLU 23 H GLU 23 -3.063 -5.442 7.350 148 HA GLU 23 HA GLU 23 -1.985 -3.989 9.459 149 HB2 GLU 23 HB2 GLU 23 -2.186 -6.507 8.997 150 HB3 GLU 23 HB3 GLU 23 -0.718 -6.443 8.143 151 HG2 GLU 23 HG2 GLU 23 0.427 -5.461 10.179 152 HG3 GLU 23 HG3 GLU 23 -1.057 -5.484 11.036 153 H GLY 24 H GLY 24 -0.607 -4.451 6.171 154 HA2 GLY 24 HA2 GLY 24 1.795 -3.263 6.732 155 HA3 GLY 24 HA3 GLY 24 0.980 -3.534 5.169 156 H LEU 25 H LEU 25 -1.052 -1.673 7.137 157 HA LEU 25 HA LEU 25 0.416 0.864 7.052 158 HB2 LEU 25 HB2 LEU 25 -2.569 0.354 6.656 159 HB3 LEU 25 HB3 LEU 25 -1.851 1.936 6.897 160 HG LEU 25 HG LEU 25 -1.251 0.232 4.604 161 HD11 LEU 25 HD11 LEU 25 -3.170 2.562 4.890 162 HD12 LEU 25 HD12 LEU 25 -2.536 1.851 3.283 163 HD13 LEU 25 HD13 LEU 25 -3.508 0.937 4.453 164 HD21 LEU 25 HD21 LEU 25 0.055 2.064 3.768 165 HD22 LEU 25 HD22 LEU 25 -0.345 2.996 5.380 166 HD23 LEU 25 HD23 LEU 25 0.682 1.594 5.290 167 H VAL 26 H VAL 26 0.252 -1.310 8.986 168 HA VAL 26 HA VAL 26 -0.251 0.344 11.395 169 HB VAL 26 HB VAL 26 -1.312 -2.535 11.130 170 HG11 VAL 26 HG11 VAL 26 -1.060 -0.637 13.539 171 HG12 VAL 26 HG12 VAL 26 -2.027 -2.169 13.528 172 HG13 VAL 26 HG13 VAL 26 -0.320 -2.128 13.393 173 HG21 VAL 26 HG21 VAL 26 -2.736 0.024 11.698 174 HG22 VAL 26 HG22 VAL 26 -2.918 -0.970 10.226 175 HG23 VAL 26 HG23 VAL 26 -3.396 -1.693 11.801 176 H LYS 27 H LYS 27 1.169 -2.862 10.472 177 HA LYS 27 HA LYS 27 3.440 -1.917 11.911 178 HB2 LYS 27 HB2 LYS 27 3.700 -3.592 13.496 179 HB3 LYS 27 HB3 LYS 27 2.213 -2.710 13.818 180 HG2 LYS 27 HG2 LYS 27 0.882 -4.482 12.676 181 HG3 LYS 27 HG3 LYS 27 2.326 -5.411 12.279 182 HD2 LYS 27 HD2 LYS 27 2.993 -5.555 14.637 183 HD3 LYS 27 HD3 LYS 27 1.490 -4.796 15.165 184 HE2 LYS 27 HE2 LYS 27 0.389 -6.642 13.526 185 HE3 LYS 27 HE3 LYS 27 1.896 -7.488 13.909 186 HZ1 LYS 27 HZ1 LYS 27 1.485 -7.221 16.235 187 HZ2 LYS 27 HZ2 LYS 27 0.001 -6.454 15.899 188 HZ3 LYS 27 HZ3 LYS 27 0.311 -8.032 15.653 189 H VAL 28 H VAL 28 5.280 -2.646 11.455 190 HA VAL 28 HA VAL 28 5.454 -4.857 9.517 191 HB VAL 28 HB VAL 28 7.276 -2.524 8.974 192 HG11 VAL 28 HG11 VAL 28 8.058 -4.415 7.916 193 HG12 VAL 28 HG12 VAL 28 6.443 -4.916 7.485 194 HG13 VAL 28 HG13 VAL 28 7.090 -3.570 6.691 195 HG21 VAL 28 HG21 VAL 28 5.572 -1.788 7.329 196 HG22 VAL 28 HG22 VAL 28 4.567 -3.140 7.943 197 HG23 VAL 28 HG23 VAL 28 4.813 -1.626 8.927 198 H PHE 29 H PHE 29 7.309 -6.112 9.556 199 HA PHE 29 HA PHE 29 9.439 -5.172 11.316 200 HB2 PHE 29 HB2 PHE 29 8.387 -8.042 11.109 201 HB3 PHE 29 HB3 PHE 29 9.488 -7.383 12.371 202 HD1 PHE 29 HD1 PHE 29 8.550 -6.601 14.401 203 HD2 PHE 29 HD2 PHE 29 5.925 -7.683 11.189 204 HE1 PHE 29 HE1 PHE 29 6.823 -6.832 15.961 205 HE2 PHE 29 HE2 PHE 29 4.100 -7.847 12.781 206 HZ PHE 29 HZ PHE 29 4.425 -7.397 15.185 207 H ASP 30 H ASP 30 11.504 -7.325 11.213 208 HA ASP 30 HA ASP 30 12.384 -6.463 8.640 209 HB2 ASP 30 HB2 ASP 30 13.645 -6.585 10.893 210 HB3 ASP 30 HB3 ASP 30 13.735 -8.360 10.637 211 H ASN 31 H ASN 31 11.767 -9.578 10.329 212 HA ASN 31 HA ASN 31 11.977 -11.084 7.857 213 HB2 ASN 31 HB2 ASN 31 12.105 -11.870 10.745 214 HB3 ASN 31 HB3 ASN 31 12.152 -13.022 9.331 215 HD21 ASN 31 HD21 ASN 31 13.836 -10.569 11.198 216 HD22 ASN 31 HD22 ASN 31 15.389 -10.720 10.303 217 H ALA 32 H ALA 32 9.556 -9.474 9.298 218 HA ALA 32 HA ALA 32 7.551 -11.462 8.323 219 HB1 ALA 32 HB1 ALA 32 7.038 -9.853 10.797 220 HB2 ALA 32 HB2 ALA 32 6.026 -10.982 9.858 221 HB3 ALA 32 HB3 ALA 32 7.478 -11.588 10.768 222 HA PRO 33 HA PRO 33 7.280 -7.813 6.003 223 HB2 PRO 33 HB3 PRO 33 6.176 -8.875 3.744 224 HB3 PRO 33 HB2 PRO 33 7.883 -8.519 4.051 225 HG2 PRO 33 HG3 PRO 33 6.501 -11.199 4.418 226 HG3 PRO 33 HG2 PRO 33 8.213 -10.874 3.819 227 HD2 PRO 33 HD3 PRO 33 7.459 -11.757 6.272 228 HD3 PRO 33 HD2 PRO 33 8.882 -10.739 6.003 229 H ALA 34 H ALA 34 5.312 -6.666 5.331 230 HA ALA 34 HA ALA 34 2.681 -7.656 6.436 231 HB1 ALA 34 HB1 ALA 34 3.705 -4.832 6.558 232 HB2 ALA 34 HB2 ALA 34 2.172 -5.543 7.210 233 HB3 ALA 34 HB3 ALA 34 3.805 -5.831 7.978 234 H GLU 35 H GLU 35 0.819 -6.762 5.677 235 HA GLU 35 HA GLU 35 1.065 -6.019 2.805 236 HB2 GLU 35 HB2 GLU 35 -1.021 -7.983 3.826 237 HB3 GLU 35 HB3 GLU 35 -0.517 -7.547 2.140 238 HG2 GLU 35 HG2 GLU 35 1.730 -8.619 2.623 239 HG3 GLU 35 HG3 GLU 35 1.226 -8.982 4.212 240 H PHE 36 H PHE 36 -0.909 -4.736 1.883 241 HA PHE 36 HA PHE 36 -3.135 -4.535 3.401 242 HB2 PHE 36 HB2 PHE 36 -2.980 -2.112 4.146 243 HB3 PHE 36 HB3 PHE 36 -1.461 -2.762 4.544 244 HD1 PHE 36 HD1 PHE 36 -3.171 -0.611 2.242 245 HD2 PHE 36 HD2 PHE 36 0.568 -2.507 3.120 246 HE1 PHE 36 HE1 PHE 36 -1.964 1.048 0.828 247 HE2 PHE 36 HE2 PHE 36 1.751 -0.599 2.122 248 HZ PHE 36 HZ PHE 36 0.552 1.126 0.802 249 H THR 37 H THR 37 -4.619 -2.917 2.209 250 HA THR 37 HA THR 37 -4.420 -3.929 -0.545 251 HB THR 37 HB THR 37 -6.856 -3.794 1.239 252 HG1 THR 37 HG1 THR 37 -6.667 -5.795 1.479 253 HG21 THR 37 HG21 THR 37 -7.401 -3.646 -1.307 254 HG22 THR 37 HG22 THR 37 -6.387 -5.110 -1.479 255 HG23 THR 37 HG23 THR 37 -7.984 -5.067 -0.630 256 H ILE 38 H ILE 38 -4.489 -2.432 -1.906 257 HA ILE 38 HA ILE 38 -5.845 0.111 -1.658 258 HB ILE 38 HB ILE 38 -4.681 -0.731 -4.273 259 HG12 ILE 38 HG12 ILE 38 -3.583 0.751 -1.820 260 HG13 ILE 38 HG13 ILE 38 -3.056 -0.744 -2.701 261 HG21 ILE 38 HG21 ILE 38 -5.687 1.821 -2.984 262 HG22 ILE 38 HG22 ILE 38 -4.953 1.672 -4.564 263 HG23 ILE 38 HG23 ILE 38 -6.576 0.883 -4.287 264 HD11 ILE 38 HD11 ILE 38 -2.409 0.549 -4.651 265 HD12 ILE 38 HD12 ILE 38 -3.054 1.991 -3.936 266 HD13 ILE 38 HD13 ILE 38 -1.660 1.205 -3.135 267 H PHE 39 H PHE 39 -7.936 0.144 -1.491 268 HA PHE 39 HA PHE 39 -9.541 -1.582 -3.317 269 HB2 PHE 39 HB2 PHE 39 -11.430 -0.826 -2.063 270 HB3 PHE 39 HB3 PHE 39 -10.368 -1.782 -0.974 271 HD1 PHE 39 HD1 PHE 39 -12.295 1.214 -1.466 272 HD2 PHE 39 HD2 PHE 39 -8.846 -0.409 0.653 273 HE1 PHE 39 HE1 PHE 39 -12.691 2.744 0.344 274 HE2 PHE 39 HE2 PHE 39 -9.207 1.407 2.373 275 HZ PHE 39 HZ PHE 39 -11.123 2.912 2.255 276 H ALA 40 H ALA 40 -9.683 -0.788 -5.229 277 HA ALA 40 HA ALA 40 -9.791 2.140 -5.670 278 HB1 ALA 40 HB1 ALA 40 -7.811 0.821 -6.493 279 HB2 ALA 40 HB2 ALA 40 -8.661 -0.342 -7.298 280 HB3 ALA 40 HB3 ALA 40 -8.840 1.310 -7.805 281 H VAL 41 H VAL 41 -11.578 2.996 -6.049 282 HA VAL 41 HA VAL 41 -13.433 1.927 -8.167 283 HB VAL 41 HB VAL 41 -13.709 3.685 -5.652 284 HG11 VAL 41 HG11 VAL 41 -16.217 3.786 -6.177 285 HG12 VAL 41 HG12 VAL 41 -15.235 4.728 -7.228 286 HG13 VAL 41 HG13 VAL 41 -15.764 3.006 -7.723 287 HG21 VAL 41 HG21 VAL 41 -14.917 1.036 -6.467 288 HG22 VAL 41 HG22 VAL 41 -13.837 1.548 -5.075 289 HG23 VAL 41 HG23 VAL 41 -15.556 1.942 -5.166 290 H ASP 42 H ASP 42 -14.160 3.204 -9.705 291 HA ASP 42 HA ASP 42 -12.523 5.512 -10.442 292 HB2 ASP 42 HB2 ASP 42 -13.870 5.414 -12.507 293 HB3 ASP 42 HB3 ASP 42 -12.813 4.074 -12.339 294 H THR 43 H THR 43 -15.786 4.931 -9.392 295 HA THR 43 HA THR 43 -16.230 7.759 -8.920 296 HB THR 43 HB THR 43 -18.137 7.886 -10.381 297 HG1 THR 43 HG1 THR 43 -17.018 5.589 -11.450 298 HG21 THR 43 HG21 THR 43 -15.740 7.461 -12.141 299 HG22 THR 43 HG22 THR 43 -17.066 8.480 -12.424 300 HG23 THR 43 HG23 THR 43 -16.159 8.957 -11.107 301 H LYS 44 H LYS 44 -18.226 4.864 -9.175 302 HA LYS 44 HA LYS 44 -19.485 5.711 -6.558 303 HB2 LYS 44 HB2 LYS 44 -20.860 5.296 -9.131 304 HB3 LYS 44 HB3 LYS 44 -21.752 4.931 -7.650 305 HG2 LYS 44 HG2 LYS 44 -21.327 7.230 -6.840 306 HG3 LYS 44 HG3 LYS 44 -20.486 7.587 -8.358 307 HD2 LYS 44 HD2 LYS 44 -22.651 6.901 -9.590 308 HD3 LYS 44 HD3 LYS 44 -23.344 6.726 -8.046 309 HE2 LYS 44 HE2 LYS 44 -22.135 9.329 -9.205 310 HE3 LYS 44 HE3 LYS 44 -23.752 9.047 -9.016 311 HZ1 LYS 44 HZ1 LYS 44 -23.082 9.192 -6.456 312 HZ2 LYS 44 HZ2 LYS 44 -21.701 9.684 -7.012 313 HZ3 LYS 44 HZ3 LYS 44 -23.127 10.468 -7.340 314 H GLY 45 H GLY 45 -18.506 3.875 -5.323 315 HA2 GLY 45 HA2 GLY 45 -19.117 1.935 -4.189 316 HA3 GLY 45 HA3 GLY 45 -20.422 1.791 -5.394 317 H VAL 46 H VAL 46 -19.872 1.000 -7.389 318 HA VAL 46 HA VAL 46 -18.768 -1.646 -7.378 319 HB VAL 46 HB VAL 46 -19.537 0.204 -9.554 320 HG11 VAL 46 HG11 VAL 46 -18.413 -2.720 -9.759 321 HG12 VAL 46 HG12 VAL 46 -19.364 -1.910 -11.019 322 HG13 VAL 46 HG13 VAL 46 -17.869 -1.220 -10.695 323 HG21 VAL 46 HG21 VAL 46 -21.326 -1.302 -9.989 324 HG22 VAL 46 HG22 VAL 46 -20.886 -2.409 -8.631 325 HG23 VAL 46 HG23 VAL 46 -21.302 -0.657 -8.366 326 H ALA 47 H ALA 47 -16.750 -2.328 -7.923 327 HA ALA 47 HA ALA 47 -14.433 -0.512 -7.416 328 HB1 ALA 47 HB1 ALA 47 -14.788 -2.752 -6.440 329 HB2 ALA 47 HB2 ALA 47 -14.463 -3.454 -8.050 330 HB3 ALA 47 HB3 ALA 47 -13.210 -2.462 -7.294 331 H ARG 48 H ARG 48 -12.449 -0.751 -8.726 332 HA ARG 48 HA ARG 48 -13.007 0.170 -11.359 333 HB2 ARG 48 HB2 ARG 48 -10.670 -0.319 -9.781 334 HB3 ARG 48 HB3 ARG 48 -10.421 -0.621 -11.516 335 HG2 ARG 48 HG2 ARG 48 -11.461 1.886 -10.385 336 HG3 ARG 48 HG3 ARG 48 -9.736 1.662 -10.851 337 HD2 ARG 48 HD2 ARG 48 -12.040 1.512 -12.823 338 HD3 ARG 48 HD3 ARG 48 -11.055 2.863 -12.715 339 HE ARG 48 HE ARG 48 -9.044 1.516 -13.197 340 HH11 ARG 48 HH11 ARG 48 -12.276 0.213 -14.306 341 HH12 ARG 48 HH12 ARG 48 -11.585 -0.940 -15.255 342 HH21 ARG 48 HH21 ARG 48 -8.217 -0.068 -14.562 343 HH22 ARG 48 HH22 ARG 48 -9.326 -1.039 -15.577 344 H THR 49 H THR 49 -13.757 -1.285 -12.869 345 HA THR 49 HA THR 49 -14.193 -3.802 -12.001 346 HB THR 49 HB THR 49 -15.433 -4.111 -14.220 347 HG1 THR 49 HG1 THR 49 -14.027 -2.250 -15.022 348 HG21 THR 49 HG21 THR 49 -17.178 -2.934 -13.425 349 HG22 THR 49 HG22 THR 49 -16.310 -3.239 -11.861 350 HG23 THR 49 HG23 THR 49 -16.176 -1.711 -12.740 351 H ASP 50 H ASP 50 -11.364 -2.985 -13.209 352 HA ASP 50 HA ASP 50 -10.487 -5.597 -14.180 353 HB2 ASP 50 HB2 ASP 50 -9.882 -4.789 -16.400 354 HB3 ASP 50 HB3 ASP 50 -11.558 -4.900 -16.248 355 H GLY 51 H GLY 51 -8.157 -5.404 -14.693 356 HA2 GLY 51 HA2 GLY 51 -7.117 -4.152 -12.336 357 HA3 GLY 51 HA3 GLY 51 -6.615 -5.524 -13.380 358 H GLY 52 H GLY 52 -4.567 -4.484 -12.741 359 HA2 GLY 52 HA2 GLY 52 -2.581 -3.494 -13.217 360 HA3 GLY 52 HA3 GLY 52 -3.238 -3.651 -14.850 361 H ASP 53 H ASP 53 -4.747 -1.097 -12.835 362 HA ASP 53 HA ASP 53 -3.665 0.815 -14.706 363 HB2 ASP 53 HB2 ASP 53 -4.986 1.482 -12.052 364 HB3 ASP 53 HB3 ASP 53 -4.751 2.555 -13.491 365 HA PRO 54 HA PRO 54 0.198 1.569 -12.658 366 HB2 PRO 54 HB3 PRO 54 1.205 3.624 -13.775 367 HB3 PRO 54 HB2 PRO 54 0.441 2.385 -14.804 368 HG2 PRO 54 HG3 PRO 54 -1.153 4.847 -14.120 369 HG3 PRO 54 HG2 PRO 54 -0.769 4.235 -15.706 370 HD2 PRO 54 HD3 PRO 54 -2.980 3.528 -14.182 371 HD3 PRO 54 HD2 PRO 54 -2.184 2.378 -15.335 372 H PHE 55 H PHE 55 1.391 2.330 -11.039 373 HA PHE 55 HA PHE 55 0.365 4.311 -9.242 374 HB2 PHE 55 HB2 PHE 55 -0.390 1.357 -8.984 375 HB3 PHE 55 HB3 PHE 55 0.131 2.177 -7.707 376 HD1 PHE 55 HD1 PHE 55 -0.860 4.179 -6.738 377 HD2 PHE 55 HD2 PHE 55 -2.862 2.042 -9.931 378 HE1 PHE 55 HE1 PHE 55 -3.017 4.923 -5.827 379 HE2 PHE 55 HE2 PHE 55 -4.961 2.822 -8.997 380 HZ PHE 55 HZ PHE 55 -5.151 4.372 -7.230 381 H GLU 56 H GLU 56 1.453 4.220 -7.152 382 HA GLU 56 HA GLU 56 3.921 2.915 -6.972 383 HB2 GLU 56 HB2 GLU 56 4.824 4.707 -8.461 384 HB3 GLU 56 HB3 GLU 56 4.270 5.876 -7.222 385 HG2 GLU 56 HG2 GLU 56 5.715 4.636 -5.600 386 HG3 GLU 56 HG3 GLU 56 6.263 3.588 -6.914 387 H VAL 57 H VAL 57 4.497 2.957 -4.951 388 HA VAL 57 HA VAL 57 3.121 4.432 -2.786 389 HB VAL 57 HB VAL 57 3.835 1.444 -2.739 390 HG11 VAL 57 HG11 VAL 57 3.871 2.539 -0.580 391 HG12 VAL 57 HG12 VAL 57 2.272 3.324 -0.933 392 HG13 VAL 57 HG13 VAL 57 2.330 1.615 -0.607 393 HG21 VAL 57 HG21 VAL 57 1.245 1.176 -2.784 394 HG22 VAL 57 HG22 VAL 57 1.164 2.852 -3.272 395 HG23 VAL 57 HG23 VAL 57 2.165 1.666 -4.222 396 H ALA 58 H ALA 58 4.674 5.692 -2.535 397 HA ALA 58 HA ALA 58 7.610 4.781 -2.181 398 HB1 ALA 58 HB1 ALA 58 6.765 6.128 -4.216 399 HB2 ALA 58 HB2 ALA 58 6.571 7.468 -3.088 400 HB3 ALA 58 HB3 ALA 58 8.203 6.599 -3.329 401 H ILE 59 H ILE 59 8.772 5.225 -0.788 402 HA ILE 59 HA ILE 59 7.475 6.263 1.698 403 HB ILE 59 HB ILE 59 8.842 3.569 1.248 404 HG12 ILE 59 HG12 ILE 59 6.174 4.611 2.132 405 HG13 ILE 59 HG13 ILE 59 6.632 3.757 0.669 406 HG21 ILE 59 HG21 ILE 59 8.450 4.879 4.035 407 HG22 ILE 59 HG22 ILE 59 8.768 3.153 3.626 408 HG23 ILE 59 HG23 ILE 59 9.858 4.478 3.189 409 HD11 ILE 59 HD11 ILE 59 6.646 2.161 3.206 410 HD12 ILE 59 HD12 ILE 59 5.455 2.180 1.936 411 HD13 ILE 59 HD13 ILE 59 7.082 1.744 1.566 412 H ASN 60 H ASN 60 8.803 7.119 3.342 413 HA ASN 60 HA ASN 60 11.805 7.171 3.051 414 HB2 ASN 60 HB2 ASN 60 9.918 9.362 3.773 415 HB3 ASN 60 HB3 ASN 60 11.740 9.366 4.035 416 HD21 ASN 60 HD21 ASN 60 9.135 9.774 1.596 417 HD22 ASN 60 HD22 ASN 60 10.211 10.170 0.362 418 H GLY 61 H GLY 61 12.702 6.535 4.927 419 HA2 GLY 61 HA2 GLY 61 11.024 6.542 7.435 420 HA3 GLY 61 HA3 GLY 61 11.891 5.119 6.914 421 HA PRO 62 HA PRO 62 14.335 7.854 9.571 422 HB2 PRO 62 HB3 PRO 62 16.011 6.030 10.819 423 HB3 PRO 62 HB2 PRO 62 14.342 6.334 11.386 424 HG2 PRO 62 HG3 PRO 62 15.159 3.971 9.745 425 HG3 PRO 62 HG2 PRO 62 14.032 4.251 11.076 426 HD2 PRO 62 HD3 PRO 62 13.486 4.121 8.224 427 HD3 PRO 62 HD2 PRO 62 12.346 4.939 9.290 428 H ASP 63 H ASP 63 16.182 8.961 9.218 429 HA ASP 63 HA ASP 63 17.718 9.841 7.984 430 HB2 ASP 63 HB2 ASP 63 18.982 8.598 9.491 431 HB3 ASP 63 HB3 ASP 63 19.238 7.317 8.351 432 H GLY 64 H GLY 64 19.328 7.515 6.217 433 HA2 GLY 64 HA2 GLY 64 18.476 8.640 3.755 434 HA3 GLY 64 HA3 GLY 64 19.715 7.388 4.183 435 H LEU 65 H LEU 65 16.969 6.217 5.426 436 HA LEU 65 HA LEU 65 16.722 4.346 3.259 437 HB2 LEU 65 HB2 LEU 65 16.627 3.731 5.813 438 HB3 LEU 65 HB3 LEU 65 15.098 4.511 5.824 439 HG LEU 65 HG LEU 65 14.194 2.791 4.291 440 HD11 LEU 65 HD11 LEU 65 15.760 0.840 3.824 441 HD12 LEU 65 HD12 LEU 65 16.026 2.327 2.801 442 HD13 LEU 65 HD13 LEU 65 17.104 1.962 4.156 443 HD21 LEU 65 HD21 LEU 65 16.010 1.436 6.392 444 HD22 LEU 65 HD22 LEU 65 14.726 2.423 6.792 445 HD23 LEU 65 HD23 LEU 65 14.375 0.893 5.769 446 H VAL 66 H VAL 66 15.965 4.646 1.512 447 HA VAL 66 HA VAL 66 13.107 5.628 1.294 448 HB VAL 66 HB VAL 66 15.261 6.033 -0.794 449 HG11 VAL 66 HG11 VAL 66 13.651 7.187 -1.985 450 HG12 VAL 66 HG12 VAL 66 13.175 5.508 -1.754 451 HG13 VAL 66 HG13 VAL 66 12.374 6.830 -0.802 452 HG21 VAL 66 HG21 VAL 66 13.856 7.851 1.102 453 HG22 VAL 66 HG22 VAL 66 15.669 7.622 1.040 454 HG23 VAL 66 HG23 VAL 66 14.914 8.429 -0.253 455 H VAL 67 H VAL 67 11.624 4.347 0.497 456 HA VAL 67 HA VAL 67 12.415 1.797 -0.712 457 HB VAL 67 HB VAL 67 11.011 2.426 1.902 458 HG11 VAL 67 HG11 VAL 67 9.477 0.900 0.669 459 HG12 VAL 67 HG12 VAL 67 10.808 -0.273 0.491 460 HG13 VAL 67 HG13 VAL 67 10.256 0.230 2.111 461 HG21 VAL 67 HG21 VAL 67 13.005 0.182 1.245 462 HG22 VAL 67 HG22 VAL 67 13.442 1.877 1.733 463 HG23 VAL 67 HG23 VAL 67 12.577 0.898 2.813 464 H ASP 68 H ASP 68 11.101 0.862 -1.931 465 HA ASP 68 HA ASP 68 8.289 1.970 -2.177 466 HB2 ASP 68 HB2 ASP 68 8.235 1.911 -4.512 467 HB3 ASP 68 HB3 ASP 68 9.513 2.938 -3.985 468 H ALA 69 H ALA 69 6.984 0.871 -1.872 469 HA ALA 69 HA ALA 69 7.106 -1.975 -1.201 470 HB1 ALA 69 HB1 ALA 69 4.576 -0.353 -1.071 471 HB2 ALA 69 HB2 ALA 69 4.998 -1.799 -0.286 472 HB3 ALA 69 HB3 ALA 69 5.909 -0.461 0.293 473 H LYS 70 H LYS 70 5.833 -3.593 -1.734 474 HA LYS 70 HA LYS 70 5.914 -3.711 -4.620 475 HB2 LYS 70 HB2 LYS 70 7.250 -5.062 -3.079 476 HB3 LYS 70 HB3 LYS 70 5.814 -5.901 -2.551 477 HG2 LYS 70 HG2 LYS 70 5.481 -6.639 -4.948 478 HG3 LYS 70 HG3 LYS 70 6.980 -5.882 -5.450 479 HD2 LYS 70 HD2 LYS 70 8.271 -7.601 -4.222 480 HD3 LYS 70 HD3 LYS 70 6.909 -8.051 -3.301 481 HE2 LYS 70 HE2 LYS 70 5.735 -8.842 -5.356 482 HE3 LYS 70 HE3 LYS 70 7.153 -8.477 -6.365 483 HZ1 LYS 70 HZ1 LYS 70 7.018 -10.455 -4.289 484 HZ2 LYS 70 HZ2 LYS 70 7.061 -10.630 -5.941 485 HZ3 LYS 70 HZ3 LYS 70 8.380 -9.981 -5.119 486 H VAL 71 H VAL 71 4.275 -3.239 -5.763 487 HA VAL 71 HA VAL 71 1.536 -3.788 -4.710 488 HB VAL 71 HB VAL 71 2.490 -2.102 -7.126 489 HG11 VAL 71 HG11 VAL 71 0.368 -0.828 -7.007 490 HG12 VAL 71 HG12 VAL 71 0.099 -2.554 -7.295 491 HG13 VAL 71 HG13 VAL 71 -0.112 -1.847 -5.688 492 HG21 VAL 71 HG21 VAL 71 1.821 -0.884 -4.470 493 HG22 VAL 71 HG22 VAL 71 3.412 -1.193 -5.064 494 HG23 VAL 71 HG23 VAL 71 2.472 -0.157 -6.029 495 H THR 72 H THR 72 0.378 -5.272 -5.280 496 HA THR 72 HA THR 72 0.666 -6.220 -8.113 497 HB THR 72 HB THR 72 0.484 -8.233 -5.810 498 HG1 THR 72 HG1 THR 72 2.474 -7.379 -5.753 499 HG21 THR 72 HG21 THR 72 1.135 -8.631 -8.831 500 HG22 THR 72 HG22 THR 72 1.115 -9.827 -7.469 501 HG23 THR 72 HG23 THR 72 -0.341 -9.184 -7.986 502 H ASP 73 H ASP 73 -1.138 -6.193 -9.149 503 HA ASP 73 HA ASP 73 -3.664 -5.748 -8.403 504 HB2 ASP 73 HB2 ASP 73 -2.708 -5.524 -10.525 505 HB3 ASP 73 HB3 ASP 73 -2.576 -7.294 -10.723 506 H ASN 74 H ASN 74 -5.314 -6.944 -7.332 507 HA ASN 74 HA ASN 74 -4.882 -9.763 -6.719 508 HB2 ASN 74 HB2 ASN 74 -6.946 -7.866 -5.799 509 HB3 ASN 74 HB3 ASN 74 -6.773 -9.546 -5.251 510 HD21 ASN 74 HD21 ASN 74 -6.401 -6.752 -3.784 511 HD22 ASN 74 HD22 ASN 74 -4.771 -6.741 -3.251 512 H ASN 75 H ASN 75 -6.314 -8.112 -9.330 513 HA ASN 75 HA ASN 75 -7.606 -8.757 -11.006 514 HB2 ASN 75 HB2 ASN 75 -7.690 -11.501 -9.840 515 HB3 ASN 75 HB3 ASN 75 -8.047 -11.082 -11.529 516 HD21 ASN 75 HD21 ASN 75 -5.718 -9.329 -11.862 517 HD22 ASN 75 HD22 ASN 75 -4.225 -10.281 -11.629 518 H ASP 76 H ASP 76 -8.797 -7.924 -8.401 519 HA ASP 76 HA ASP 76 -11.566 -8.782 -9.007 520 HB2 ASP 76 HB2 ASP 76 -11.949 -8.723 -6.528 521 HB3 ASP 76 HB3 ASP 76 -10.863 -9.961 -7.109 522 H GLY 77 H GLY 77 -9.506 -6.041 -8.629 523 HA2 GLY 77 HA2 GLY 77 -10.653 -3.891 -9.091 524 HA3 GLY 77 HA3 GLY 77 -11.709 -4.307 -7.695 525 H THR 78 H THR 78 -9.081 -5.629 -6.606 526 HA THR 78 HA THR 78 -8.091 -3.165 -5.314 527 HB THR 78 HB THR 78 -7.617 -4.459 -3.395 528 HG1 THR 78 HG1 THR 78 -8.612 -6.593 -4.973 529 HG21 THR 78 HG21 THR 78 -10.004 -3.590 -3.992 530 HG22 THR 78 HG22 THR 78 -10.563 -5.193 -4.212 531 HG23 THR 78 HG23 THR 78 -9.785 -4.887 -2.677 532 H TYR 79 H TYR 79 -5.764 -3.111 -4.684 533 HA TYR 79 HA TYR 79 -3.885 -5.118 -5.807 534 HB2 TYR 79 HB2 TYR 79 -3.321 -2.225 -5.177 535 HB3 TYR 79 HB3 TYR 79 -2.275 -3.354 -5.760 536 HD1 TYR 79 HD1 TYR 79 -1.960 -3.555 -8.251 537 HD2 TYR 79 HD2 TYR 79 -5.546 -1.936 -6.510 538 HE1 TYR 79 HE1 TYR 79 -2.703 -3.143 -10.385 539 HE2 TYR 79 HE2 TYR 79 -6.545 -1.691 -8.847 540 HH TYR 79 HH TYR 79 -5.983 -1.680 -11.128 541 H GLY 80 H GLY 80 -2.654 -6.089 -4.497 542 HA2 GLY 80 HA2 GLY 80 -2.588 -5.922 -1.543 543 HA3 GLY 80 HA3 GLY 80 -1.920 -7.158 -2.553 544 H VAL 81 H VAL 81 -1.112 -4.419 -0.789 545 HA VAL 81 HA VAL 81 1.537 -4.149 -2.148 546 HB VAL 81 HB VAL 81 0.404 -2.456 0.034 547 HG11 VAL 81 HG11 VAL 81 2.388 -1.961 -2.139 548 HG12 VAL 81 HG12 VAL 81 1.978 -0.807 -0.816 549 HG13 VAL 81 HG13 VAL 81 2.777 -2.373 -0.452 550 HG21 VAL 81 HG21 VAL 81 -0.010 -1.840 -2.866 551 HG22 VAL 81 HG22 VAL 81 -1.294 -2.044 -1.749 552 HG23 VAL 81 HG23 VAL 81 -0.269 -0.651 -1.471 553 H VAL 82 H VAL 82 3.189 -5.068 -1.328 554 HA VAL 82 HA VAL 82 3.158 -5.942 1.609 555 HB VAL 82 HB VAL 82 4.281 -7.298 -0.856 556 HG11 VAL 82 HG11 VAL 82 5.703 -7.974 0.838 557 HG12 VAL 82 HG12 VAL 82 4.399 -8.243 2.066 558 HG13 VAL 82 HG13 VAL 82 4.622 -9.331 0.662 559 HG21 VAL 82 HG21 VAL 82 2.723 -9.079 -0.230 560 HG22 VAL 82 HG22 VAL 82 1.804 -7.792 0.680 561 HG23 VAL 82 HG23 VAL 82 2.055 -7.633 -1.028 562 H TYR 83 H TYR 83 5.029 -5.682 2.807 563 HA TYR 83 HA TYR 83 7.519 -5.197 1.585 564 HB2 TYR 83 HB2 TYR 83 8.046 -3.016 2.193 565 HB3 TYR 83 HB3 TYR 83 6.828 -2.981 0.979 566 HD1 TYR 83 HD1 TYR 83 4.297 -3.337 2.604 567 HD2 TYR 83 HD2 TYR 83 7.848 -1.129 3.593 568 HE1 TYR 83 HE1 TYR 83 2.985 -1.682 3.946 569 HE2 TYR 83 HE2 TYR 83 6.543 0.560 4.690 570 HH TYR 83 HH TYR 83 3.015 0.284 4.882 571 H ASP 84 H ASP 84 9.149 -4.146 3.460 572 HA ASP 84 HA ASP 84 8.746 -5.507 6.076 573 HB2 ASP 84 HB2 ASP 84 10.781 -6.770 5.852 574 HB3 ASP 84 HB3 ASP 84 9.622 -7.471 4.993 575 H ALA 85 H ALA 85 10.251 -4.936 7.521 576 HA ALA 85 HA ALA 85 11.671 -2.328 6.986 577 HB1 ALA 85 HB1 ALA 85 9.395 -2.243 8.145 578 HB2 ALA 85 HB2 ALA 85 10.106 -2.970 9.500 579 HB3 ALA 85 HB3 ALA 85 10.731 -1.418 8.823 580 HA PRO 86 HA PRO 86 14.987 -4.629 8.625 581 HB2 PRO 86 HB3 PRO 86 17.138 -3.201 7.682 582 HB3 PRO 86 HB2 PRO 86 16.234 -4.401 6.708 583 HG2 PRO 86 HG3 PRO 86 16.023 -1.399 6.563 584 HG3 PRO 86 HG2 PRO 86 15.824 -2.571 5.346 585 HD2 PRO 86 HD3 PRO 86 13.707 -1.404 6.867 586 HD3 PRO 86 HD2 PRO 86 13.501 -2.762 5.752 587 H VAL 87 H VAL 87 13.730 -1.791 9.512 588 HA VAL 87 HA VAL 87 15.720 -1.413 11.621 589 HB VAL 87 HB VAL 87 15.491 1.050 11.342 590 HG11 VAL 87 HG11 VAL 87 16.150 -0.085 8.692 591 HG12 VAL 87 HG12 VAL 87 17.022 1.301 9.545 592 HG13 VAL 87 HG13 VAL 87 17.248 -0.348 10.073 593 HG21 VAL 87 HG21 VAL 87 13.736 0.178 9.131 594 HG22 VAL 87 HG22 VAL 87 13.415 1.419 10.381 595 HG23 VAL 87 HG23 VAL 87 14.523 1.763 8.979 596 H GLU 88 H GLU 88 15.027 -0.624 13.692 597 HA GLU 88 HA GLU 88 12.221 -0.320 14.187 598 HB2 GLU 88 HB2 GLU 88 13.418 -0.869 16.120 599 HB3 GLU 88 HB3 GLU 88 14.622 0.430 15.904 600 HG2 GLU 88 HG2 GLU 88 12.484 1.999 16.437 601 HG3 GLU 88 HG3 GLU 88 11.786 0.573 16.983 602 H GLY 89 H GLY 89 11.034 1.376 13.758 603 HA2 GLY 89 HA2 GLY 89 11.896 4.132 13.673 604 HA3 GLY 89 HA3 GLY 89 12.011 3.363 12.133 605 H ASN 90 H ASN 90 10.593 5.316 11.897 606 HA ASN 90 HA ASN 90 7.934 4.070 11.431 607 HB2 ASN 90 HB2 ASN 90 7.734 6.181 12.655 608 HB3 ASN 90 HB3 ASN 90 8.755 7.002 11.537 609 HD21 ASN 90 HD21 ASN 90 7.806 8.145 9.798 610 HD22 ASN 90 HD22 ASN 90 6.057 8.093 9.625 611 H TYR 91 H TYR 91 7.053 3.973 9.535 612 HA TYR 91 HA TYR 91 8.568 4.952 7.176 613 HB2 TYR 91 HB2 TYR 91 6.609 2.657 7.432 614 HB3 TYR 91 HB3 TYR 91 6.935 3.489 5.848 615 HD1 TYR 91 HD1 TYR 91 9.885 3.889 6.064 616 HD2 TYR 91 HD2 TYR 91 7.312 0.663 6.965 617 HE1 TYR 91 HE1 TYR 91 11.756 2.406 5.575 618 HE2 TYR 91 HE2 TYR 91 9.152 -1.023 6.430 619 HH TYR 91 HH TYR 91 10.757 -1.142 5.124 620 H ASN 92 H ASN 92 7.549 6.099 5.773 621 HA ASN 92 HA ASN 92 4.955 7.305 6.439 622 HB2 ASN 92 HB2 ASN 92 6.667 8.743 7.147 623 HB3 ASN 92 HB3 ASN 92 7.570 8.736 5.505 624 HD21 ASN 92 HD21 ASN 92 4.513 9.755 7.250 625 HD22 ASN 92 HD22 ASN 92 4.091 10.904 5.950 626 H VAL 93 H VAL 93 3.530 6.915 4.971 627 HA VAL 93 HA VAL 93 4.504 5.994 2.334 628 HB VAL 93 HB VAL 93 2.008 5.366 4.007 629 HG11 VAL 93 HG11 VAL 93 1.579 5.265 1.573 630 HG12 VAL 93 HG12 VAL 93 2.990 4.213 1.368 631 HG13 VAL 93 HG13 VAL 93 1.508 3.650 2.290 632 HG21 VAL 93 HG21 VAL 93 3.215 2.998 3.711 633 HG22 VAL 93 HG22 VAL 93 4.657 3.943 3.799 634 HG23 VAL 93 HG23 VAL 93 3.585 4.084 5.090 635 H ASN 94 H ASN 94 4.337 7.128 0.730 636 HA ASN 94 HA ASN 94 2.033 8.891 0.402 637 HB2 ASN 94 HB2 ASN 94 4.330 9.823 0.449 638 HB3 ASN 94 HB3 ASN 94 4.816 8.967 -1.024 639 HD21 ASN 94 HD21 ASN 94 5.111 10.559 -2.411 640 HD22 ASN 94 HD22 ASN 94 3.845 11.693 -2.888 641 H VAL 95 H VAL 95 0.555 8.198 -1.273 642 HA VAL 95 HA VAL 95 1.538 6.327 -3.208 643 HB VAL 95 HB VAL 95 -1.060 7.170 -2.232 644 HG11 VAL 95 HG11 VAL 95 -2.012 5.167 -3.503 645 HG12 VAL 95 HG12 VAL 95 -1.374 6.346 -4.600 646 HG13 VAL 95 HG13 VAL 95 -0.354 4.904 -4.189 647 HG21 VAL 95 HG21 VAL 95 0.189 5.573 -0.703 648 HG22 VAL 95 HG22 VAL 95 -0.999 4.658 -1.521 649 HG23 VAL 95 HG23 VAL 95 0.616 4.529 -2.058 650 H THR 96 H THR 96 1.245 6.612 -5.548 651 HA THR 96 HA THR 96 -0.117 9.069 -6.406 652 HB THR 96 HB THR 96 1.815 9.234 -8.240 653 HG1 THR 96 HG1 THR 96 3.172 7.737 -6.392 654 HG21 THR 96 HG21 THR 96 1.795 10.772 -6.037 655 HG22 THR 96 HG22 THR 96 2.966 9.687 -5.454 656 HG23 THR 96 HG23 THR 96 3.319 10.570 -6.984 657 H LEU 97 H LEU 97 -0.788 9.008 -8.539 658 HA LEU 97 HA LEU 97 -1.493 6.404 -9.505 659 HB2 LEU 97 HB2 LEU 97 -2.700 7.722 -7.806 660 HB3 LEU 97 HB3 LEU 97 -2.976 9.036 -8.858 661 HG LEU 97 HG LEU 97 -4.181 6.270 -9.237 662 HD11 LEU 97 HD11 LEU 97 -6.280 7.445 -8.692 663 HD12 LEU 97 HD12 LEU 97 -5.148 7.663 -7.437 664 HD13 LEU 97 HD13 LEU 97 -5.353 9.015 -8.697 665 HD21 LEU 97 HD21 LEU 97 -5.607 7.384 -10.981 666 HD22 LEU 97 HD22 LEU 97 -4.367 8.782 -10.840 667 HD23 LEU 97 HD23 LEU 97 -3.924 7.131 -11.375 668 H ARG 98 H ARG 98 -0.906 6.074 -11.480 669 HA ARG 98 HA ARG 98 0.175 6.585 -13.556 670 HB2 ARG 98 HB2 ARG 98 -2.299 6.796 -14.095 671 HB3 ARG 98 HB3 ARG 98 -2.104 8.504 -14.114 672 HG2 ARG 98 HG2 ARG 98 -0.354 8.316 -15.878 673 HG3 ARG 98 HG3 ARG 98 -0.474 6.608 -15.737 674 HD2 ARG 98 HD2 ARG 98 -2.549 8.553 -16.874 675 HD3 ARG 98 HD3 ARG 98 -1.669 7.254 -17.675 676 HE ARG 98 HE ARG 98 -3.835 6.593 -15.744 677 HH11 ARG 98 HH11 ARG 98 -2.202 5.892 -18.854 678 HH12 ARG 98 HH12 ARG 98 -2.792 4.269 -18.810 679 HH21 ARG 98 HH21 ARG 98 -4.450 4.450 -15.785 680 HH22 ARG 98 HH22 ARG 98 -4.069 3.481 -17.179 681 H GLY 99 H GLY 99 1.554 7.632 -11.733 682 HA2 GLY 99 HA2 GLY 99 3.103 9.130 -11.071 683 HA3 GLY 99 HA3 GLY 99 2.541 9.881 -12.645 684 H ASN 100 H ASN 100 -0.090 10.315 -10.767 685 HA ASN 100 HA ASN 100 0.842 12.840 -9.724 686 HB2 ASN 100 HB2 ASN 100 -1.904 11.830 -10.666 687 HB3 ASN 100 HB3 ASN 100 -1.472 13.437 -10.168 688 HD21 ASN 100 HD21 ASN 100 -2.430 12.201 -12.709 689 HD22 ASN 100 HD22 ASN 100 -1.555 13.172 -13.831 690 HA PRO 101 HA PRO 101 -0.174 11.614 -5.619 691 HB2 PRO 101 HB3 PRO 101 -0.551 14.006 -4.384 692 HB3 PRO 101 HB2 PRO 101 1.049 13.464 -4.955 693 HG2 PRO 101 HG3 PRO 101 -0.692 15.540 -6.271 694 HG3 PRO 101 HG2 PRO 101 1.136 15.221 -6.234 695 HD2 PRO 101 HD3 PRO 101 -0.638 14.398 -8.412 696 HD3 PRO 101 HD2 PRO 101 1.070 14.147 -8.088 697 H ILE 102 H ILE 102 -2.087 12.212 -3.716 698 HA ILE 102 HA ILE 102 -4.563 12.219 -4.903 699 HB ILE 102 HB ILE 102 -5.164 9.870 -4.373 700 HG12 ILE 102 HG12 ILE 102 -2.461 9.494 -3.042 701 HG13 ILE 102 HG13 ILE 102 -3.930 9.641 -2.321 702 HG21 ILE 102 HG21 ILE 102 -3.732 8.577 -5.948 703 HG22 ILE 102 HG22 ILE 102 -3.950 10.182 -6.678 704 HG23 ILE 102 HG23 ILE 102 -2.504 9.753 -5.914 705 HD11 ILE 102 HD11 ILE 102 -3.862 7.377 -2.467 706 HD12 ILE 102 HD12 ILE 102 -4.962 7.810 -3.803 707 HD13 ILE 102 HD13 ILE 102 -3.227 7.473 -4.137 708 H LYS 103 H LYS 103 -6.215 11.247 -2.915 709 HA LYS 103 HA LYS 103 -5.682 13.341 -0.978 710 HB2 LYS 103 HB2 LYS 103 -8.072 11.458 -1.777 711 HB3 LYS 103 HB3 LYS 103 -8.020 12.549 -0.491 712 HG2 LYS 103 HG2 LYS 103 -7.520 14.471 -2.122 713 HG3 LYS 103 HG3 LYS 103 -7.619 13.329 -3.439 714 HD2 LYS 103 HD2 LYS 103 -9.965 13.183 -3.325 715 HD3 LYS 103 HD3 LYS 103 -10.006 13.460 -1.686 716 HE2 LYS 103 HE2 LYS 103 -10.928 15.121 -3.010 717 HE3 LYS 103 HE3 LYS 103 -9.805 15.942 -1.949 718 HZ1 LYS 103 HZ1 LYS 103 -9.520 16.775 -4.103 719 HZ2 LYS 103 HZ2 LYS 103 -8.265 15.780 -3.949 720 HZ3 LYS 103 HZ3 LYS 103 -9.427 15.353 -4.911 721 H ASN 104 H ASN 104 -6.245 13.088 1.219 722 HA ASN 104 HA ASN 104 -5.870 12.262 3.315 723 HB2 ASN 104 HB2 ASN 104 -6.815 9.904 1.957 724 HB3 ASN 104 HB3 ASN 104 -6.786 10.251 3.752 725 HD21 ASN 104 HD21 ASN 104 -7.819 12.168 4.619 726 HD22 ASN 104 HD22 ASN 104 -9.361 12.609 3.997 727 H MET 105 H MET 105 -3.288 12.528 1.759 728 HA MET 105 HA MET 105 -1.828 10.295 2.763 729 HB2 MET 105 HB2 MET 105 -1.788 12.135 0.319 730 HB3 MET 105 HB3 MET 105 -0.310 11.321 0.768 731 HG2 MET 105 HG2 MET 105 -2.849 9.679 0.620 732 HG3 MET 105 HG3 MET 105 -1.845 10.051 -0.889 733 HE1 MET 105 HE1 MET 105 -2.170 7.889 2.431 734 HE2 MET 105 HE2 MET 105 -2.728 7.215 0.944 735 HE3 MET 105 HE3 MET 105 -1.287 6.485 1.828 736 HA PRO 106 HA PRO 106 0.542 10.179 2.801 737 HB2 PRO 106 HB3 PRO 106 2.857 10.514 4.265 738 HB3 PRO 106 HB2 PRO 106 2.612 11.043 2.508 739 HG2 PRO 106 HG3 PRO 106 2.425 12.779 4.997 740 HG3 PRO 106 HG2 PRO 106 3.246 13.082 3.438 741 HD2 PRO 106 HD3 PRO 106 0.645 13.866 4.225 742 HD3 PRO 106 HD2 PRO 106 1.244 13.834 2.510 743 H ILE 107 H ILE 107 1.325 8.628 4.391 744 HA ILE 107 HA ILE 107 0.052 8.966 7.005 745 HB ILE 107 HB ILE 107 -1.283 6.902 6.863 746 HG12 ILE 107 HG12 ILE 107 -0.166 6.815 4.069 747 HG13 ILE 107 HG13 ILE 107 0.004 5.691 5.263 748 HG21 ILE 107 HG21 ILE 107 -3.107 7.935 5.914 749 HG22 ILE 107 HG22 ILE 107 -2.086 9.208 6.451 750 HG23 ILE 107 HG23 ILE 107 -2.042 8.863 4.730 751 HD11 ILE 107 HD11 ILE 107 -2.824 6.284 4.236 752 HD12 ILE 107 HD12 ILE 107 -1.800 4.926 3.636 753 HD13 ILE 107 HD13 ILE 107 -2.394 5.120 5.305 754 H ASP 108 H ASP 108 0.578 7.643 8.654 755 HA ASP 108 HA ASP 108 3.401 6.666 8.478 756 HB2 ASP 108 HB2 ASP 108 2.032 8.259 10.628 757 HB3 ASP 108 HB3 ASP 108 3.659 7.514 10.792 758 H VAL 109 H VAL 109 4.218 5.130 9.271 759 HA VAL 109 HA VAL 109 2.584 3.008 10.642 760 HB VAL 109 HB VAL 109 3.958 2.954 7.945 761 HG11 VAL 109 HG11 VAL 109 2.532 0.638 9.236 762 HG12 VAL 109 HG12 VAL 109 3.498 0.591 7.836 763 HG13 VAL 109 HG13 VAL 109 4.285 0.774 9.407 764 HG21 VAL 109 HG21 VAL 109 1.949 2.277 7.074 765 HG22 VAL 109 HG22 VAL 109 1.128 2.604 8.730 766 HG23 VAL 109 HG23 VAL 109 1.824 3.917 7.931 767 H LYS 110 H LYS 110 3.547 2.236 12.286 768 HA LYS 110 HA LYS 110 6.391 2.853 12.821 769 HB2 LYS 110 HB2 LYS 110 4.593 2.887 14.506 770 HB3 LYS 110 HB3 LYS 110 4.593 1.135 14.450 771 HG2 LYS 110 HG2 LYS 110 6.876 1.063 15.219 772 HG3 LYS 110 HG3 LYS 110 7.088 2.802 14.991 773 HD2 LYS 110 HD2 LYS 110 5.412 3.263 16.882 774 HD3 LYS 110 HD3 LYS 110 4.904 1.619 16.740 775 HE2 LYS 110 HE2 LYS 110 6.974 0.798 17.568 776 HE3 LYS 110 HE3 LYS 110 7.817 2.384 17.473 777 HZ1 LYS 110 HZ1 LYS 110 7.145 1.844 19.749 778 HZ2 LYS 110 HZ2 LYS 110 6.572 3.180 19.209 779 HZ3 LYS 110 HZ3 LYS 110 5.499 1.953 19.175 780 H CYS 111 H CYS 111 7.746 1.589 12.581 781 HA CYS 111 HA CYS 111 7.857 -1.222 11.653 782 HB2 CYS 111 HB2 CYS 111 9.933 0.993 11.630 783 HB3 CYS 111 HB3 CYS 111 10.109 -0.615 11.012 784 HG CYS 111 HG CYS 111 8.071 1.779 10.046 785 H ILE 112 H ILE 112 8.752 -2.626 12.723 786 HA ILE 112 HA ILE 112 10.690 -2.153 14.903 787 HB ILE 112 HB ILE 112 8.475 -4.123 15.212 788 HG12 ILE 112 HG12 ILE 112 9.228 -1.700 16.895 789 HG13 ILE 112 HG13 ILE 112 7.908 -1.815 15.868 790 HG21 ILE 112 HG21 ILE 112 9.547 -4.742 17.372 791 HG22 ILE 112 HG22 ILE 112 10.741 -5.074 16.150 792 HG23 ILE 112 HG23 ILE 112 10.821 -3.604 17.189 793 HD11 ILE 112 HD11 ILE 112 8.319 -3.266 18.419 794 HD12 ILE 112 HD12 ILE 112 6.798 -2.438 17.812 795 HD13 ILE 112 HD13 ILE 112 7.333 -4.009 17.175 796 H GLU 113 H GLU 113 12.541 -3.461 14.695 797 HA GLU 113 HA GLU 113 12.749 -4.924 12.105 798 HB2 GLU 113 HB2 GLU 113 15.016 -4.977 12.478 799 HB3 GLU 113 HB3 GLU 113 14.290 -3.411 12.298 800 HG2 GLU 113 HG2 GLU 113 14.272 -2.930 14.758 801 HG3 GLU 113 HG3 GLU 113 15.041 -4.474 15.035 802 H GLY 114 H GLY 114 11.076 -6.433 13.800 803 HA2 GLY 114 HA2 GLY 114 12.468 -8.826 14.695 804 HA3 GLY 114 HA3 GLY 114 10.738 -8.697 14.393 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -20.516 -7.944 -8.417 2 H2 MET 1 H2 MET 1 -21.002 -6.437 -8.407 3 H3 MET 1 H3 MET 1 -21.333 -7.476 -9.689 4 HA MET 1 HA MET 1 -19.809 -5.888 -10.481 5 HB2 MET 1 HB2 MET 1 -19.486 -4.909 -8.266 6 HB3 MET 1 HB3 MET 1 -18.513 -6.241 -7.790 7 HG2 MET 1 HG2 MET 1 -17.528 -4.518 -10.048 8 HG3 MET 1 HG3 MET 1 -17.214 -4.085 -8.412 9 HE1 MET 1 HE1 MET 1 -13.866 -4.881 -9.343 10 HE2 MET 1 HE2 MET 1 -14.677 -5.315 -10.872 11 HE3 MET 1 HE3 MET 1 -15.118 -3.842 -10.103 12 H HIS 2 H HIS 2 -18.149 -6.724 -11.970 13 HA HIS 2 HA HIS 2 -16.548 -9.140 -11.007 14 HB2 HIS 2 HB2 HIS 2 -18.630 -9.629 -12.330 15 HB3 HIS 2 HB3 HIS 2 -17.975 -8.798 -13.606 16 HD1 HIS 2 HD1 HIS 2 -16.414 -11.755 -11.524 17 HD2 HIS 2 HD2 HIS 2 -16.904 -10.383 -15.409 18 HE1 HIS 2 HE1 HIS 2 -15.255 -13.390 -13.088 19 H HIS 3 H HIS 3 -14.503 -8.816 -11.317 20 HA HIS 3 HA HIS 3 -13.549 -6.584 -12.994 21 HB2 HIS 3 HB2 HIS 3 -12.486 -6.881 -10.853 22 HB3 HIS 3 HB3 HIS 3 -12.124 -8.618 -11.325 23 HD1 HIS 3 HD1 HIS 3 -10.737 -5.239 -11.186 24 HD2 HIS 3 HD2 HIS 3 -10.278 -8.486 -13.673 25 HE1 HIS 3 HE1 HIS 3 -8.300 -5.179 -11.887 26 H HIS 4 H HIS 4 -13.501 -6.827 -14.925 27 HA HIS 4 HA HIS 4 -12.250 -8.941 -16.415 28 HB2 HIS 4 HB2 HIS 4 -14.445 -10.016 -16.079 29 HB3 HIS 4 HB3 HIS 4 -15.243 -8.564 -16.769 30 HD1 HIS 4 HD1 HIS 4 -15.586 -8.650 -19.411 31 HD2 HIS 4 HD2 HIS 4 -12.700 -11.286 -17.994 32 HE1 HIS 4 HE1 HIS 4 -14.934 -10.057 -21.345 33 H HIS 5 H HIS 5 -11.438 -8.328 -18.444 34 HA HIS 5 HA HIS 5 -11.767 -5.445 -18.923 35 HB2 HIS 5 HB2 HIS 5 -9.976 -7.553 -19.982 36 HB3 HIS 5 HB3 HIS 5 -10.004 -5.868 -20.618 37 HD1 HIS 5 HD1 HIS 5 -8.214 -4.353 -19.766 38 HD2 HIS 5 HD2 HIS 5 -9.283 -7.390 -17.016 39 HE1 HIS 5 HE1 HIS 5 -6.480 -4.458 -18.156 40 H HIS 6 H HIS 6 -13.414 -4.642 -20.121 41 HA HIS 6 HA HIS 6 -14.934 -6.309 -22.102 42 HB2 HIS 6 HB2 HIS 6 -15.771 -4.507 -20.361 43 HB3 HIS 6 HB3 HIS 6 -15.251 -3.392 -21.637 44 HD1 HIS 6 HD1 HIS 6 -16.291 -3.636 -24.049 45 HD2 HIS 6 HD2 HIS 6 -18.149 -5.961 -21.040 46 HE1 HIS 6 HE1 HIS 6 -18.561 -4.244 -24.868 47 H HIS 7 H HIS 7 -12.824 -3.327 -22.099 48 HA HIS 7 HA HIS 7 -12.267 -3.867 -24.941 49 HB2 HIS 7 HB2 HIS 7 -13.013 -1.376 -23.541 50 HB3 HIS 7 HB3 HIS 7 -12.292 -1.341 -25.113 51 HD1 HIS 7 HD1 HIS 7 -13.862 -3.622 -26.603 52 HD2 HIS 7 HD2 HIS 7 -15.528 -0.810 -23.980 53 HE1 HIS 7 HE1 HIS 7 -16.390 -3.578 -27.137 54 H ALA 8 H ALA 8 -10.190 -2.645 -25.744 55 HA ALA 8 HA ALA 8 -8.002 -2.844 -23.861 56 HB1 ALA 8 HB1 ALA 8 -7.549 -3.117 -26.170 57 HB2 ALA 8 HB2 ALA 8 -8.320 -1.610 -26.642 58 HB3 ALA 8 HB3 ALA 8 -6.810 -1.691 -25.657 59 H SER 9 H SER 9 -10.160 -0.252 -24.751 60 HA SER 9 HA SER 9 -8.897 1.799 -23.084 61 HB2 SER 9 HB2 SER 9 -10.940 2.983 -23.099 62 HB3 SER 9 HB3 SER 9 -10.275 2.807 -24.683 63 HG SER 9 HG SER 9 -12.421 2.331 -24.768 64 H LYS 10 H LYS 10 -9.487 2.409 -21.126 65 HA LYS 10 HA LYS 10 -11.651 1.172 -19.459 66 HB2 LYS 10 HB2 LYS 10 -10.027 0.617 -17.803 67 HB3 LYS 10 HB3 LYS 10 -10.177 -0.398 -19.150 68 HG2 LYS 10 HG2 LYS 10 -7.943 0.460 -19.930 69 HG3 LYS 10 HG3 LYS 10 -8.021 1.734 -18.702 70 HD2 LYS 10 HD2 LYS 10 -7.947 0.123 -16.956 71 HD3 LYS 10 HD3 LYS 10 -7.974 -1.209 -17.966 72 HE2 LYS 10 HE2 LYS 10 -5.738 -0.617 -18.935 73 HE3 LYS 10 HE3 LYS 10 -5.779 0.951 -18.376 74 HZ1 LYS 10 HZ1 LYS 10 -5.391 -1.394 -16.619 75 HZ2 LYS 10 HZ2 LYS 10 -4.310 -0.201 -17.032 76 HZ3 LYS 10 HZ3 LYS 10 -5.507 0.095 -16.015 77 HA PRO 11 HA PRO 11 -11.206 5.250 -17.297 78 HB2 PRO 11 HB3 PRO 11 -12.468 4.596 -15.084 79 HB3 PRO 11 HB2 PRO 11 -13.342 5.100 -16.626 80 HG2 PRO 11 HG3 PRO 11 -12.869 2.309 -15.378 81 HG3 PRO 11 HG2 PRO 11 -14.386 2.919 -16.162 82 HD2 PRO 11 HD3 PRO 11 -12.431 1.364 -17.300 83 HD3 PRO 11 HD2 PRO 11 -13.364 2.477 -18.292 84 H ALA 12 H ALA 12 -10.700 6.020 -15.345 85 HA ALA 12 HA ALA 12 -8.004 5.045 -14.488 86 HB1 ALA 12 HB1 ALA 12 -8.211 6.964 -16.049 87 HB2 ALA 12 HB2 ALA 12 -8.941 7.876 -14.710 88 HB3 ALA 12 HB3 ALA 12 -7.287 7.303 -14.505 89 HA PRO 13 HA PRO 13 -9.729 5.440 -10.432 90 HB2 PRO 13 HB3 PRO 13 -7.070 5.417 -9.251 91 HB3 PRO 13 HB2 PRO 13 -8.634 4.473 -8.988 92 HG2 PRO 13 HG3 PRO 13 -6.543 3.212 -10.399 93 HG3 PRO 13 HG2 PRO 13 -8.278 2.982 -10.657 94 HD2 PRO 13 HD3 PRO 13 -6.482 5.026 -12.124 95 HD3 PRO 13 HD2 PRO 13 -7.453 3.830 -12.872 96 H SER 14 H SER 14 -9.444 6.993 -8.419 97 HA SER 14 HA SER 14 -8.114 9.523 -9.166 98 HB2 SER 14 HB2 SER 14 -10.932 9.377 -7.912 99 HB3 SER 14 HB3 SER 14 -10.108 10.770 -8.708 100 HG SER 14 HG SER 14 -11.685 8.864 -9.784 101 H ALA 15 H ALA 15 -7.892 11.126 -7.256 102 HA ALA 15 HA ALA 15 -7.099 9.947 -4.768 103 HB1 ALA 15 HB1 ALA 15 -6.385 12.350 -5.570 104 HB2 ALA 15 HB2 ALA 15 -7.951 12.881 -5.513 105 HB3 ALA 15 HB3 ALA 15 -7.151 12.255 -3.995 106 H GLU 16 H GLU 16 -10.405 11.635 -5.405 107 HA GLU 16 HA GLU 16 -11.260 11.395 -2.904 108 HB2 GLU 16 HB2 GLU 16 -12.188 12.661 -4.840 109 HB3 GLU 16 HB3 GLU 16 -13.002 11.134 -5.377 110 HG2 GLU 16 HG2 GLU 16 -14.535 12.406 -4.181 111 HG3 GLU 16 HG3 GLU 16 -14.085 11.112 -3.184 112 H HIS 17 H HIS 17 -10.676 9.090 -5.450 113 HA HIS 17 HA HIS 17 -12.377 6.954 -4.347 114 HB2 HIS 17 HB2 HIS 17 -11.483 7.480 -7.224 115 HB3 HIS 17 HB3 HIS 17 -12.683 6.362 -6.645 116 HD1 HIS 17 HD1 HIS 17 -14.783 7.826 -4.925 117 HD2 HIS 17 HD2 HIS 17 -12.967 9.594 -8.340 118 HE1 HIS 17 HE1 HIS 17 -16.060 9.714 -5.556 119 H SER 18 H SER 18 -9.125 7.343 -4.014 120 HA SER 18 HA SER 18 -8.983 4.401 -3.782 121 HB2 SER 18 HB2 SER 18 -7.889 5.064 -5.939 122 HB3 SER 18 HB3 SER 18 -6.954 6.246 -5.098 123 HG SER 18 HG SER 18 -6.058 4.338 -3.951 124 H TYR 19 H TYR 19 -8.071 3.485 -2.014 125 HA TYR 19 HA TYR 19 -7.058 5.178 -0.109 126 HB2 TYR 19 HB2 TYR 19 -10.011 4.522 -0.015 127 HB3 TYR 19 HB3 TYR 19 -8.974 4.736 1.414 128 HD1 TYR 19 HD1 TYR 19 -10.964 6.623 -0.952 129 HD2 TYR 19 HD2 TYR 19 -7.446 6.972 1.425 130 HE1 TYR 19 HE1 TYR 19 -11.558 8.959 -0.526 131 HE2 TYR 19 HE2 TYR 19 -7.852 9.293 1.782 132 HH TYR 19 HH TYR 19 -9.459 11.106 1.366 133 H ALA 20 H ALA 20 -6.598 3.973 1.656 134 HA ALA 20 HA ALA 20 -6.586 1.072 1.263 135 HB1 ALA 20 HB1 ALA 20 -4.405 0.639 1.425 136 HB2 ALA 20 HB2 ALA 20 -4.577 2.028 0.350 137 HB3 ALA 20 HB3 ALA 20 -4.085 2.268 2.066 138 H GLU 21 H GLU 21 -6.008 -0.491 2.933 139 HA GLU 21 HA GLU 21 -6.419 0.074 5.651 140 HB2 GLU 21 HB2 GLU 21 -8.783 -1.084 3.940 141 HB3 GLU 21 HB3 GLU 21 -8.380 -1.576 5.598 142 HG2 GLU 21 HG2 GLU 21 -8.700 0.597 6.489 143 HG3 GLU 21 HG3 GLU 21 -8.651 1.329 4.893 144 H GLY 22 H GLY 22 -6.020 -1.587 6.880 145 HA2 GLY 22 HA2 GLY 22 -5.795 -4.082 7.059 146 HA3 GLY 22 HA3 GLY 22 -4.739 -4.015 5.632 147 H GLU 23 H GLU 23 -3.586 -5.301 7.524 148 HA GLU 23 HA GLU 23 -2.632 -3.854 9.748 149 HB2 GLU 23 HB2 GLU 23 -3.239 -6.231 9.416 150 HB3 GLU 23 HB3 GLU 23 -1.559 -6.501 8.841 151 HG2 GLU 23 HG2 GLU 23 -0.791 -5.289 11.087 152 HG3 GLU 23 HG3 GLU 23 -2.411 -5.506 11.640 153 H GLY 24 H GLY 24 -1.063 -4.434 6.518 154 HA2 GLY 24 HA2 GLY 24 1.449 -3.458 7.316 155 HA3 GLY 24 HA3 GLY 24 0.730 -3.381 5.715 156 H LEU 25 H LEU 25 -1.359 -1.762 7.956 157 HA LEU 25 HA LEU 25 -0.070 0.835 7.399 158 HB2 LEU 25 HB2 LEU 25 -3.034 0.332 7.570 159 HB3 LEU 25 HB3 LEU 25 -2.310 1.931 7.634 160 HG LEU 25 HG LEU 25 -1.731 -0.034 5.360 161 HD11 LEU 25 HD11 LEU 25 -4.179 1.792 5.485 162 HD12 LEU 25 HD12 LEU 25 -3.475 1.046 4.068 163 HD13 LEU 25 HD13 LEU 25 -4.031 0.030 5.319 164 HD21 LEU 25 HD21 LEU 25 -1.159 1.822 4.071 165 HD22 LEU 25 HD22 LEU 25 -1.522 2.978 5.394 166 HD23 LEU 25 HD23 LEU 25 -0.131 1.788 5.435 167 H VAL 26 H VAL 26 -0.033 -1.305 9.592 168 HA VAL 26 HA VAL 26 -0.177 0.633 11.845 169 HB VAL 26 HB VAL 26 -0.952 -2.225 12.500 170 HG11 VAL 26 HG11 VAL 26 -2.441 -0.954 13.998 171 HG12 VAL 26 HG12 VAL 26 -0.720 -1.066 14.383 172 HG13 VAL 26 HG13 VAL 26 -1.438 0.463 13.773 173 HG21 VAL 26 HG21 VAL 26 -3.295 -1.850 12.132 174 HG22 VAL 26 HG22 VAL 26 -2.870 -0.182 11.488 175 HG23 VAL 26 HG23 VAL 26 -2.461 -1.774 10.644 176 H LYS 27 H LYS 27 1.078 -2.570 10.664 177 HA LYS 27 HA LYS 27 3.583 -2.271 12.255 178 HB2 LYS 27 HB2 LYS 27 1.460 -4.441 12.563 179 HB3 LYS 27 HB3 LYS 27 3.152 -4.585 13.025 180 HG2 LYS 27 HG2 LYS 27 3.120 -2.987 14.658 181 HG3 LYS 27 HG3 LYS 27 1.551 -2.296 14.224 182 HD2 LYS 27 HD2 LYS 27 1.986 -5.134 15.260 183 HD3 LYS 27 HD3 LYS 27 1.269 -3.783 16.177 184 HE2 LYS 27 HE2 LYS 27 -0.579 -3.544 14.566 185 HE3 LYS 27 HE3 LYS 27 0.004 -4.968 13.755 186 HZ1 LYS 27 HZ1 LYS 27 -1.570 -5.713 15.315 187 HZ2 LYS 27 HZ2 LYS 27 -0.178 -6.052 16.033 188 HZ3 LYS 27 HZ3 LYS 27 -1.054 -4.636 16.426 189 H VAL 28 H VAL 28 5.179 -2.802 11.393 190 HA VAL 28 HA VAL 28 5.446 -4.782 9.264 191 HB VAL 28 HB VAL 28 6.738 -2.055 9.149 192 HG11 VAL 28 HG11 VAL 28 7.045 -2.786 6.803 193 HG12 VAL 28 HG12 VAL 28 7.889 -3.829 7.967 194 HG13 VAL 28 HG13 VAL 28 6.289 -4.280 7.170 195 HG21 VAL 28 HG21 VAL 28 4.264 -1.671 8.863 196 HG22 VAL 28 HG22 VAL 28 5.228 -1.417 7.457 197 HG23 VAL 28 HG23 VAL 28 4.453 -2.904 7.425 198 H PHE 29 H PHE 29 7.076 -6.101 9.452 199 HA PHE 29 HA PHE 29 9.122 -5.471 11.467 200 HB2 PHE 29 HB2 PHE 29 7.984 -8.195 10.865 201 HB3 PHE 29 HB3 PHE 29 9.096 -7.737 12.116 202 HD1 PHE 29 HD1 PHE 29 8.309 -6.527 14.168 203 HD2 PHE 29 HD2 PHE 29 5.585 -7.663 11.083 204 HE1 PHE 29 HE1 PHE 29 6.519 -6.374 15.762 205 HE2 PHE 29 HE2 PHE 29 3.676 -7.381 12.726 206 HZ PHE 29 HZ PHE 29 4.162 -6.648 15.019 207 H ASP 30 H ASP 30 10.889 -7.704 11.234 208 HA ASP 30 HA ASP 30 12.268 -6.816 8.808 209 HB2 ASP 30 HB2 ASP 30 13.407 -6.254 10.723 210 HB3 ASP 30 HB3 ASP 30 13.265 -7.945 11.334 211 H ASN 31 H ASN 31 11.407 -9.806 10.478 212 HA ASN 31 HA ASN 31 11.773 -11.463 8.029 213 HB2 ASN 31 HB2 ASN 31 11.587 -12.019 11.035 214 HB3 ASN 31 HB3 ASN 31 11.623 -13.242 9.739 215 HD21 ASN 31 HD21 ASN 31 13.279 -10.904 11.856 216 HD22 ASN 31 HD22 ASN 31 14.882 -11.190 11.210 217 H ALA 32 H ALA 32 9.335 -9.684 9.064 218 HA ALA 32 HA ALA 32 7.365 -11.521 7.666 219 HB1 ALA 32 HB1 ALA 32 7.105 -11.618 10.234 220 HB2 ALA 32 HB2 ALA 32 6.686 -9.873 10.109 221 HB3 ALA 32 HB3 ALA 32 5.798 -11.084 9.240 222 HA PRO 33 HA PRO 33 7.117 -7.556 5.500 223 HB2 PRO 33 HB3 PRO 33 6.090 -9.634 3.452 224 HB3 PRO 33 HB2 PRO 33 7.052 -8.263 3.123 225 HG2 PRO 33 HG3 PRO 33 8.243 -10.583 3.129 226 HG3 PRO 33 HG2 PRO 33 9.064 -9.193 3.838 227 HD2 PRO 33 HD3 PRO 33 7.684 -11.421 5.485 228 HD3 PRO 33 HD2 PRO 33 9.131 -10.472 5.811 229 H ALA 34 H ALA 34 5.488 -6.309 5.640 230 HA ALA 34 HA ALA 34 3.015 -7.599 6.476 231 HB1 ALA 34 HB1 ALA 34 2.435 -5.714 7.575 232 HB2 ALA 34 HB2 ALA 34 4.146 -5.799 7.779 233 HB3 ALA 34 HB3 ALA 34 3.395 -4.578 6.616 234 H GLU 35 H GLU 35 1.024 -7.001 5.538 235 HA GLU 35 HA GLU 35 1.214 -6.032 2.785 236 HB2 GLU 35 HB2 GLU 35 -0.714 -8.126 3.806 237 HB3 GLU 35 HB3 GLU 35 -0.461 -7.548 2.157 238 HG2 GLU 35 HG2 GLU 35 1.938 -8.401 2.304 239 HG3 GLU 35 HG3 GLU 35 1.386 -9.192 3.857 240 H PHE 36 H PHE 36 -0.691 -5.097 1.993 241 HA PHE 36 HA PHE 36 -3.059 -4.812 3.356 242 HB2 PHE 36 HB2 PHE 36 -3.201 -2.457 4.020 243 HB3 PHE 36 HB3 PHE 36 -1.774 -3.075 4.731 244 HD1 PHE 36 HD1 PHE 36 -3.197 -0.635 2.437 245 HD2 PHE 36 HD2 PHE 36 0.515 -2.564 3.529 246 HE1 PHE 36 HE1 PHE 36 -2.009 1.020 1.240 247 HE2 PHE 36 HE2 PHE 36 1.703 -0.794 2.180 248 HZ PHE 36 HZ PHE 36 0.495 1.176 1.341 249 H THR 37 H THR 37 -4.326 -2.945 2.096 250 HA THR 37 HA THR 37 -4.368 -3.971 -0.632 251 HB THR 37 HB THR 37 -6.517 -3.737 1.417 252 HG1 THR 37 HG1 THR 37 -5.747 -5.482 2.032 253 HG21 THR 37 HG21 THR 37 -7.915 -5.147 -0.275 254 HG22 THR 37 HG22 THR 37 -7.397 -3.655 -0.930 255 HG23 THR 37 HG23 THR 37 -6.560 -5.246 -1.274 256 H ILE 38 H ILE 38 -4.588 -2.423 -2.077 257 HA ILE 38 HA ILE 38 -5.346 0.316 -1.576 258 HB ILE 38 HB ILE 38 -4.634 -0.746 -4.335 259 HG12 ILE 38 HG12 ILE 38 -2.662 -0.848 -2.766 260 HG13 ILE 38 HG13 ILE 38 -2.595 0.477 -3.940 261 HG21 ILE 38 HG21 ILE 38 -5.535 1.836 -3.193 262 HG22 ILE 38 HG22 ILE 38 -4.516 1.527 -4.794 263 HG23 ILE 38 HG23 ILE 38 -6.100 1.022 -4.579 264 HD11 ILE 38 HD11 ILE 38 -3.294 0.773 -1.128 265 HD12 ILE 38 HD12 ILE 38 -1.698 1.095 -1.759 266 HD13 ILE 38 HD13 ILE 38 -2.978 2.164 -2.245 267 H PHE 39 H PHE 39 -7.653 0.331 -1.318 268 HA PHE 39 HA PHE 39 -9.289 -1.384 -3.098 269 HB2 PHE 39 HB2 PHE 39 -11.288 -0.699 -1.882 270 HB3 PHE 39 HB3 PHE 39 -10.135 -1.588 -0.838 271 HD1 PHE 39 HD1 PHE 39 -11.938 1.552 -1.422 272 HD2 PHE 39 HD2 PHE 39 -8.834 -0.407 0.845 273 HE1 PHE 39 HE1 PHE 39 -12.309 3.140 0.373 274 HE2 PHE 39 HE2 PHE 39 -8.996 1.478 2.545 275 HZ PHE 39 HZ PHE 39 -10.840 3.092 2.312 276 H ALA 40 H ALA 40 -9.292 -0.541 -5.085 277 HA ALA 40 HA ALA 40 -9.537 2.282 -5.545 278 HB1 ALA 40 HB1 ALA 40 -7.669 0.808 -6.502 279 HB2 ALA 40 HB2 ALA 40 -8.871 -0.032 -7.436 280 HB3 ALA 40 HB3 ALA 40 -8.666 1.607 -7.829 281 H VAL 41 H VAL 41 -10.805 3.305 -6.590 282 HA VAL 41 HA VAL 41 -12.892 2.140 -8.399 283 HB VAL 41 HB VAL 41 -13.281 4.399 -6.409 284 HG11 VAL 41 HG11 VAL 41 -15.296 3.398 -8.216 285 HG12 VAL 41 HG12 VAL 41 -15.697 4.509 -6.813 286 HG13 VAL 41 HG13 VAL 41 -14.681 5.014 -8.204 287 HG21 VAL 41 HG21 VAL 41 -13.462 2.059 -5.359 288 HG22 VAL 41 HG22 VAL 41 -14.792 3.216 -5.156 289 HG23 VAL 41 HG23 VAL 41 -14.837 1.874 -6.414 290 H ASP 42 H ASP 42 -13.688 3.514 -10.064 291 HA ASP 42 HA ASP 42 -11.730 5.494 -10.904 292 HB2 ASP 42 HB2 ASP 42 -13.312 5.880 -12.843 293 HB3 ASP 42 HB3 ASP 42 -12.546 4.288 -12.662 294 H THR 43 H THR 43 -15.215 5.806 -10.779 295 HA THR 43 HA THR 43 -15.519 7.997 -9.004 296 HB THR 43 HB THR 43 -16.922 9.288 -10.519 297 HG1 THR 43 HG1 THR 43 -17.218 8.624 -12.482 298 HG21 THR 43 HG21 THR 43 -14.025 9.033 -11.597 299 HG22 THR 43 HG22 THR 43 -15.158 10.400 -11.775 300 HG23 THR 43 HG23 THR 43 -14.580 9.911 -10.144 301 H LYS 44 H LYS 44 -16.767 5.182 -10.748 302 HA LYS 44 HA LYS 44 -19.481 6.225 -10.233 303 HB2 LYS 44 HB2 LYS 44 -18.772 3.739 -11.750 304 HB3 LYS 44 HB3 LYS 44 -20.355 4.501 -11.578 305 HG2 LYS 44 HG2 LYS 44 -19.595 6.403 -12.700 306 HG3 LYS 44 HG3 LYS 44 -17.909 5.845 -12.902 307 HD2 LYS 44 HD2 LYS 44 -20.445 4.690 -14.330 308 HD3 LYS 44 HD3 LYS 44 -19.109 5.516 -15.026 309 HE2 LYS 44 HE2 LYS 44 -17.486 3.852 -14.433 310 HE3 LYS 44 HE3 LYS 44 -18.570 2.982 -13.481 311 HZ1 LYS 44 HZ1 LYS 44 -18.977 3.388 -16.379 312 HZ2 LYS 44 HZ2 LYS 44 -18.091 2.189 -15.628 313 HZ3 LYS 44 HZ3 LYS 44 -19.680 2.244 -15.412 314 H GLY 45 H GLY 45 -17.749 5.252 -7.971 315 HA2 GLY 45 HA2 GLY 45 -18.421 4.646 -5.887 316 HA3 GLY 45 HA3 GLY 45 -19.913 4.091 -6.587 317 H VAL 46 H VAL 46 -19.279 2.149 -8.260 318 HA VAL 46 HA VAL 46 -18.431 -0.252 -6.845 319 HB VAL 46 HB VAL 46 -18.467 0.015 -9.773 320 HG11 VAL 46 HG11 VAL 46 -19.483 -2.407 -9.195 321 HG12 VAL 46 HG12 VAL 46 -17.826 -2.217 -9.077 322 HG13 VAL 46 HG13 VAL 46 -18.935 -2.105 -7.596 323 HG21 VAL 46 HG21 VAL 46 -20.791 -0.362 -7.706 324 HG22 VAL 46 HG22 VAL 46 -20.785 0.885 -8.912 325 HG23 VAL 46 HG23 VAL 46 -20.866 -0.765 -9.466 326 H ALA 47 H ALA 47 -16.669 -1.499 -6.961 327 HA ALA 47 HA ALA 47 -14.040 -0.349 -7.130 328 HB1 ALA 47 HB1 ALA 47 -14.705 -2.336 -6.019 329 HB2 ALA 47 HB2 ALA 47 -14.967 -3.200 -7.533 330 HB3 ALA 47 HB3 ALA 47 -13.289 -2.567 -7.124 331 H ARG 48 H ARG 48 -12.288 -0.789 -8.559 332 HA ARG 48 HA ARG 48 -12.958 0.039 -11.110 333 HB2 ARG 48 HB2 ARG 48 -10.527 -1.190 -9.747 334 HB3 ARG 48 HB3 ARG 48 -10.463 -0.841 -11.456 335 HG2 ARG 48 HG2 ARG 48 -11.128 1.369 -9.542 336 HG3 ARG 48 HG3 ARG 48 -9.388 0.964 -9.989 337 HD2 ARG 48 HD2 ARG 48 -11.617 1.805 -11.826 338 HD3 ARG 48 HD3 ARG 48 -10.337 2.873 -11.339 339 HE ARG 48 HE ARG 48 -8.725 1.376 -12.489 340 HH11 ARG 48 HH11 ARG 48 -12.129 0.732 -13.607 341 HH12 ARG 48 HH12 ARG 48 -11.459 0.116 -15.051 342 HH21 ARG 48 HH21 ARG 48 -8.148 0.554 -14.391 343 HH22 ARG 48 HH22 ARG 48 -9.345 -0.439 -15.199 344 H THR 49 H THR 49 -13.849 -1.316 -12.716 345 HA THR 49 HA THR 49 -14.381 -4.041 -12.376 346 HB THR 49 HB THR 49 -15.745 -3.609 -14.333 347 HG1 THR 49 HG1 THR 49 -15.869 -1.039 -14.068 348 HG21 THR 49 HG21 THR 49 -16.176 -1.440 -12.210 349 HG22 THR 49 HG22 THR 49 -17.350 -2.320 -13.210 350 HG23 THR 49 HG23 THR 49 -16.597 -3.239 -12.013 351 H ASP 50 H ASP 50 -11.670 -2.696 -13.698 352 HA ASP 50 HA ASP 50 -10.666 -5.019 -15.024 353 HB2 ASP 50 HB2 ASP 50 -9.969 -3.911 -16.984 354 HB3 ASP 50 HB3 ASP 50 -11.710 -4.274 -16.932 355 H GLY 51 H GLY 51 -8.349 -4.411 -15.702 356 HA2 GLY 51 HA2 GLY 51 -7.175 -3.406 -13.046 357 HA3 GLY 51 HA3 GLY 51 -7.258 -5.014 -13.822 358 H GLY 52 H GLY 52 -4.924 -3.982 -13.173 359 HA2 GLY 52 HA2 GLY 52 -2.729 -3.519 -13.810 360 HA3 GLY 52 HA3 GLY 52 -3.319 -3.916 -15.454 361 H ASP 53 H ASP 53 -4.278 -1.302 -13.055 362 HA ASP 53 HA ASP 53 -3.716 0.736 -14.972 363 HB2 ASP 53 HB2 ASP 53 -4.584 1.185 -12.125 364 HB3 ASP 53 HB3 ASP 53 -4.356 2.424 -13.188 365 HA PRO 54 HA PRO 54 0.317 1.117 -12.911 366 HB2 PRO 54 HB3 PRO 54 1.271 3.538 -13.686 367 HB3 PRO 54 HB2 PRO 54 1.028 2.186 -14.764 368 HG2 PRO 54 HG3 PRO 54 -0.962 4.474 -14.311 369 HG3 PRO 54 HG2 PRO 54 -0.366 3.976 -15.851 370 HD2 PRO 54 HD3 PRO 54 -2.654 3.190 -14.649 371 HD3 PRO 54 HD2 PRO 54 -1.652 2.055 -15.744 372 H PHE 55 H PHE 55 0.869 1.385 -10.834 373 HA PHE 55 HA PHE 55 0.080 3.764 -9.195 374 HB2 PHE 55 HB2 PHE 55 -0.457 0.887 -8.994 375 HB3 PHE 55 HB3 PHE 55 -0.245 1.813 -7.460 376 HD1 PHE 55 HD1 PHE 55 -1.908 3.529 -6.878 377 HD2 PHE 55 HD2 PHE 55 -2.390 0.967 -10.258 378 HE1 PHE 55 HE1 PHE 55 -4.349 3.801 -6.667 379 HE2 PHE 55 HE2 PHE 55 -4.727 1.124 -10.053 380 HZ PHE 55 HZ PHE 55 -5.858 2.620 -8.282 381 H GLU 56 H GLU 56 1.460 4.231 -7.370 382 HA GLU 56 HA GLU 56 3.761 2.499 -7.135 383 HB2 GLU 56 HB2 GLU 56 4.551 4.051 -8.686 384 HB3 GLU 56 HB3 GLU 56 3.810 5.417 -7.859 385 HG2 GLU 56 HG2 GLU 56 5.563 5.169 -6.001 386 HG3 GLU 56 HG3 GLU 56 5.954 3.611 -6.494 387 H VAL 57 H VAL 57 4.469 2.459 -5.092 388 HA VAL 57 HA VAL 57 3.358 4.183 -2.913 389 HB VAL 57 HB VAL 57 3.744 1.172 -2.797 390 HG11 VAL 57 HG11 VAL 57 2.373 1.581 -0.721 391 HG12 VAL 57 HG12 VAL 57 3.915 2.401 -0.582 392 HG13 VAL 57 HG13 VAL 57 2.493 3.348 -0.992 393 HG21 VAL 57 HG21 VAL 57 1.191 2.879 -2.982 394 HG22 VAL 57 HG22 VAL 57 1.637 1.741 -4.262 395 HG23 VAL 57 HG23 VAL 57 1.228 1.152 -2.657 396 H ALA 58 H ALA 58 4.978 5.407 -3.140 397 HA ALA 58 HA ALA 58 7.687 4.431 -2.338 398 HB1 ALA 58 HB1 ALA 58 6.678 6.944 -3.725 399 HB2 ALA 58 HB2 ALA 58 8.340 6.833 -3.339 400 HB3 ALA 58 HB3 ALA 58 7.556 5.660 -4.530 401 H ILE 59 H ILE 59 8.658 4.805 -0.765 402 HA ILE 59 HA ILE 59 7.248 6.221 1.458 403 HB ILE 59 HB ILE 59 8.633 3.562 0.993 404 HG12 ILE 59 HG12 ILE 59 6.159 3.965 2.538 405 HG13 ILE 59 HG13 ILE 59 5.991 4.277 0.808 406 HG21 ILE 59 HG21 ILE 59 8.127 4.827 3.696 407 HG22 ILE 59 HG22 ILE 59 8.252 3.046 3.485 408 HG23 ILE 59 HG23 ILE 59 9.616 4.031 3.087 409 HD11 ILE 59 HD11 ILE 59 6.633 2.194 0.164 410 HD12 ILE 59 HD12 ILE 59 7.338 1.709 1.752 411 HD13 ILE 59 HD13 ILE 59 5.509 1.970 1.421 412 H ASN 60 H ASN 60 8.636 7.244 3.147 413 HA ASN 60 HA ASN 60 11.515 6.725 2.857 414 HB2 ASN 60 HB2 ASN 60 9.907 9.041 3.978 415 HB3 ASN 60 HB3 ASN 60 11.613 8.788 4.326 416 HD21 ASN 60 HD21 ASN 60 9.551 10.597 2.123 417 HD22 ASN 60 HD22 ASN 60 10.833 10.729 0.933 418 H GLY 61 H GLY 61 12.346 5.507 4.442 419 HA2 GLY 61 HA2 GLY 61 10.920 5.157 7.024 420 HA3 GLY 61 HA3 GLY 61 12.338 4.336 6.447 421 HA PRO 62 HA PRO 62 13.266 7.794 9.419 422 HB2 PRO 62 HB3 PRO 62 15.296 6.136 10.537 423 HB3 PRO 62 HB2 PRO 62 13.931 6.972 11.362 424 HG2 PRO 62 HG3 PRO 62 14.042 4.226 10.895 425 HG3 PRO 62 HG2 PRO 62 12.451 5.223 10.732 426 HD2 PRO 62 HD3 PRO 62 14.365 4.326 8.723 427 HD3 PRO 62 HD2 PRO 62 12.580 4.132 8.648 428 H ASP 63 H ASP 63 14.531 9.410 9.068 429 HA ASP 63 HA ASP 63 15.227 10.618 7.436 430 HB2 ASP 63 HB2 ASP 63 16.824 10.695 9.353 431 HB3 ASP 63 HB3 ASP 63 17.976 9.729 8.449 432 H GLY 64 H GLY 64 18.140 8.610 6.815 433 HA2 GLY 64 HA2 GLY 64 17.972 8.935 4.120 434 HA3 GLY 64 HA3 GLY 64 18.963 7.733 5.078 435 H LEU 65 H LEU 65 15.990 6.595 5.586 436 HA LEU 65 HA LEU 65 16.619 4.470 3.682 437 HB2 LEU 65 HB2 LEU 65 16.368 3.977 5.929 438 HB3 LEU 65 HB3 LEU 65 14.840 4.610 6.163 439 HG LEU 65 HG LEU 65 13.786 3.111 4.610 440 HD11 LEU 65 HD11 LEU 65 15.874 2.485 3.152 441 HD12 LEU 65 HD12 LEU 65 16.508 1.612 4.621 442 HD13 LEU 65 HD13 LEU 65 15.102 1.072 3.715 443 HD21 LEU 65 HD21 LEU 65 15.689 2.011 6.791 444 HD22 LEU 65 HD22 LEU 65 13.992 2.484 7.023 445 HD23 LEU 65 HD23 LEU 65 14.436 0.989 6.193 446 H VAL 66 H VAL 66 16.348 5.308 1.919 447 HA VAL 66 HA VAL 66 13.654 6.055 0.885 448 HB VAL 66 HB VAL 66 16.226 5.390 -0.519 449 HG11 VAL 66 HG11 VAL 66 15.355 6.510 -2.630 450 HG12 VAL 66 HG12 VAL 66 14.272 5.130 -2.192 451 HG13 VAL 66 HG13 VAL 66 13.830 6.767 -1.869 452 HG21 VAL 66 HG21 VAL 66 16.377 7.854 -0.893 453 HG22 VAL 66 HG22 VAL 66 14.963 8.093 0.023 454 HG23 VAL 66 HG23 VAL 66 16.416 7.364 0.776 455 H VAL 67 H VAL 67 12.059 4.612 0.782 456 HA VAL 67 HA VAL 67 12.645 2.010 -0.472 457 HB VAL 67 HB VAL 67 11.030 2.920 2.010 458 HG11 VAL 67 HG11 VAL 67 9.372 1.400 0.924 459 HG12 VAL 67 HG12 VAL 67 10.685 0.291 0.614 460 HG13 VAL 67 HG13 VAL 67 10.177 0.682 2.240 461 HG21 VAL 67 HG21 VAL 67 12.338 0.870 2.904 462 HG22 VAL 67 HG22 VAL 67 13.039 0.812 1.323 463 HG23 VAL 67 HG23 VAL 67 13.381 2.267 2.327 464 H ASP 68 H ASP 68 10.936 0.833 -1.516 465 HA ASP 68 HA ASP 68 8.451 2.213 -2.000 466 HB2 ASP 68 HB2 ASP 68 8.358 1.349 -4.288 467 HB3 ASP 68 HB3 ASP 68 9.275 2.783 -4.085 468 H ALA 69 H ALA 69 6.786 0.911 -1.992 469 HA ALA 69 HA ALA 69 7.193 -1.938 -1.007 470 HB1 ALA 69 HB1 ALA 69 4.962 -1.646 -0.117 471 HB2 ALA 69 HB2 ALA 69 5.898 -0.284 0.440 472 HB3 ALA 69 HB3 ALA 69 4.811 0.028 -0.842 473 H LYS 70 H LYS 70 6.220 -3.589 -1.787 474 HA LYS 70 HA LYS 70 6.050 -3.304 -4.713 475 HB2 LYS 70 HB2 LYS 70 5.975 -5.659 -3.013 476 HB3 LYS 70 HB3 LYS 70 6.181 -5.702 -4.749 477 HG2 LYS 70 HG2 LYS 70 8.211 -4.872 -2.514 478 HG3 LYS 70 HG3 LYS 70 8.457 -6.131 -3.599 479 HD2 LYS 70 HD2 LYS 70 8.779 -4.371 -5.368 480 HD3 LYS 70 HD3 LYS 70 8.086 -3.186 -4.277 481 HE2 LYS 70 HE2 LYS 70 9.964 -3.238 -2.861 482 HE3 LYS 70 HE3 LYS 70 10.709 -4.642 -3.713 483 HZ1 LYS 70 HZ1 LYS 70 11.837 -2.748 -4.650 484 HZ2 LYS 70 HZ2 LYS 70 10.705 -3.137 -5.714 485 HZ3 LYS 70 HZ3 LYS 70 10.545 -1.864 -4.716 486 H VAL 71 H VAL 71 4.487 -3.111 -5.783 487 HA VAL 71 HA VAL 71 1.817 -3.703 -4.606 488 HB VAL 71 HB VAL 71 2.486 -2.111 -7.093 489 HG11 VAL 71 HG11 VAL 71 -0.008 -2.918 -6.775 490 HG12 VAL 71 HG12 VAL 71 -0.116 -1.863 -5.539 491 HG13 VAL 71 HG13 VAL 71 0.431 -1.222 -7.252 492 HG21 VAL 71 HG21 VAL 71 3.385 -1.016 -5.103 493 HG22 VAL 71 HG22 VAL 71 2.156 -0.114 -5.994 494 HG23 VAL 71 HG23 VAL 71 1.808 -0.918 -4.367 495 H THR 72 H THR 72 0.589 -5.087 -5.430 496 HA THR 72 HA THR 72 0.855 -6.122 -8.184 497 HB THR 72 HB THR 72 0.572 -7.749 -5.724 498 HG1 THR 72 HG1 THR 72 2.583 -7.546 -6.094 499 HG21 THR 72 HG21 THR 72 0.225 -9.866 -7.169 500 HG22 THR 72 HG22 THR 72 -1.061 -8.720 -7.404 501 HG23 THR 72 HG23 THR 72 0.131 -8.747 -8.584 502 H ASP 73 H ASP 73 -1.005 -6.758 -9.279 503 HA ASP 73 HA ASP 73 -3.524 -5.550 -8.368 504 HB2 ASP 73 HB2 ASP 73 -2.645 -5.176 -10.531 505 HB3 ASP 73 HB3 ASP 73 -2.641 -6.932 -10.890 506 H ASN 74 H ASN 74 -5.133 -6.591 -7.477 507 HA ASN 74 HA ASN 74 -4.931 -9.615 -7.236 508 HB2 ASN 74 HB2 ASN 74 -6.756 -7.660 -5.804 509 HB3 ASN 74 HB3 ASN 74 -6.499 -9.345 -5.415 510 HD21 ASN 74 HD21 ASN 74 -6.482 -6.924 -3.792 511 HD22 ASN 74 HD22 ASN 74 -4.993 -7.214 -2.782 512 H ASN 75 H ASN 75 -6.421 -7.683 -9.534 513 HA ASN 75 HA ASN 75 -7.729 -8.312 -11.145 514 HB2 ASN 75 HB2 ASN 75 -7.752 -11.170 -10.472 515 HB3 ASN 75 HB3 ASN 75 -7.668 -10.471 -11.983 516 HD21 ASN 75 HD21 ASN 75 -5.515 -8.692 -12.095 517 HD22 ASN 75 HD22 ASN 75 -4.040 -9.587 -11.813 518 H ASP 76 H ASP 76 -8.931 -7.522 -8.717 519 HA ASP 76 HA ASP 76 -11.661 -8.440 -9.016 520 HB2 ASP 76 HB2 ASP 76 -12.025 -8.833 -6.606 521 HB3 ASP 76 HB3 ASP 76 -10.902 -9.981 -7.258 522 H GLY 77 H GLY 77 -9.706 -5.875 -8.212 523 HA2 GLY 77 HA2 GLY 77 -11.309 -3.668 -8.597 524 HA3 GLY 77 HA3 GLY 77 -11.869 -4.286 -7.052 525 H THR 78 H THR 78 -9.279 -5.337 -6.316 526 HA THR 78 HA THR 78 -7.997 -2.940 -5.250 527 HB THR 78 HB THR 78 -7.720 -4.339 -3.252 528 HG1 THR 78 HG1 THR 78 -8.738 -6.442 -4.813 529 HG21 THR 78 HG21 THR 78 -10.137 -3.600 -3.412 530 HG22 THR 78 HG22 THR 78 -10.528 -5.179 -4.057 531 HG23 THR 78 HG23 THR 78 -9.902 -5.021 -2.423 532 H TYR 79 H TYR 79 -5.796 -3.077 -4.407 533 HA TYR 79 HA TYR 79 -4.255 -5.142 -5.818 534 HB2 TYR 79 HB2 TYR 79 -3.487 -2.176 -5.282 535 HB3 TYR 79 HB3 TYR 79 -2.499 -3.357 -5.932 536 HD1 TYR 79 HD1 TYR 79 -2.189 -3.430 -8.131 537 HD2 TYR 79 HD2 TYR 79 -5.907 -1.860 -6.764 538 HE1 TYR 79 HE1 TYR 79 -2.647 -2.549 -10.435 539 HE2 TYR 79 HE2 TYR 79 -6.543 -1.303 -9.088 540 HH TYR 79 HH TYR 79 -5.816 -1.051 -11.193 541 H GLY 80 H GLY 80 -2.523 -5.841 -4.814 542 HA2 GLY 80 HA2 GLY 80 -2.439 -5.805 -1.872 543 HA3 GLY 80 HA3 GLY 80 -1.705 -7.027 -3.046 544 H VAL 81 H VAL 81 -0.872 -4.983 -0.878 545 HA VAL 81 HA VAL 81 1.707 -4.142 -2.246 546 HB VAL 81 HB VAL 81 0.308 -2.609 -0.042 547 HG11 VAL 81 HG11 VAL 81 2.559 -1.914 -1.842 548 HG12 VAL 81 HG12 VAL 81 1.590 -0.698 -0.898 549 HG13 VAL 81 HG13 VAL 81 2.428 -1.928 -0.023 550 HG21 VAL 81 HG21 VAL 81 -1.154 -2.516 -1.913 551 HG22 VAL 81 HG22 VAL 81 -0.457 -0.889 -1.669 552 HG23 VAL 81 HG23 VAL 81 0.160 -1.962 -2.995 553 H VAL 82 H VAL 82 3.593 -4.528 -1.268 554 HA VAL 82 HA VAL 82 3.575 -5.721 1.471 555 HB VAL 82 HB VAL 82 5.145 -6.805 -0.876 556 HG11 VAL 82 HG11 VAL 82 4.214 -8.248 1.630 557 HG12 VAL 82 HG12 VAL 82 5.534 -8.715 0.479 558 HG13 VAL 82 HG13 VAL 82 5.741 -7.399 1.543 559 HG21 VAL 82 HG21 VAL 82 2.454 -7.866 0.058 560 HG22 VAL 82 HG22 VAL 82 2.855 -7.084 -1.567 561 HG23 VAL 82 HG23 VAL 82 3.478 -8.646 -1.085 562 H TYR 83 H TYR 83 5.177 -5.368 2.645 563 HA TYR 83 HA TYR 83 7.695 -4.506 1.784 564 HB2 TYR 83 HB2 TYR 83 7.936 -2.311 2.447 565 HB3 TYR 83 HB3 TYR 83 6.552 -2.369 1.327 566 HD1 TYR 83 HD1 TYR 83 4.352 -3.044 3.001 567 HD2 TYR 83 HD2 TYR 83 7.408 -0.117 3.279 568 HE1 TYR 83 HE1 TYR 83 2.779 -1.510 4.362 569 HE2 TYR 83 HE2 TYR 83 6.031 1.308 4.743 570 HH TYR 83 HH TYR 83 2.742 0.205 5.622 571 H ASP 84 H ASP 84 9.234 -4.621 3.267 572 HA ASP 84 HA ASP 84 8.605 -5.039 6.110 573 HB2 ASP 84 HB2 ASP 84 10.497 -6.630 6.081 574 HB3 ASP 84 HB3 ASP 84 9.297 -7.224 5.025 575 H ALA 85 H ALA 85 10.209 -4.796 7.694 576 HA ALA 85 HA ALA 85 11.279 -2.108 7.281 577 HB1 ALA 85 HB1 ALA 85 9.651 -3.389 9.453 578 HB2 ALA 85 HB2 ALA 85 10.594 -1.903 9.699 579 HB3 ALA 85 HB3 ALA 85 9.299 -1.920 8.406 580 HA PRO 86 HA PRO 86 14.735 -4.548 9.016 581 HB2 PRO 86 HB3 PRO 86 16.740 -2.586 8.536 582 HB3 PRO 86 HB2 PRO 86 16.079 -3.900 7.434 583 HG2 PRO 86 HG3 PRO 86 15.664 -1.003 7.501 584 HG3 PRO 86 HG2 PRO 86 15.690 -2.059 6.151 585 HD2 PRO 86 HD3 PRO 86 13.331 -1.092 7.411 586 HD3 PRO 86 HD2 PRO 86 13.470 -2.414 6.263 587 H VAL 87 H VAL 87 13.286 -1.776 10.424 588 HA VAL 87 HA VAL 87 15.203 -1.625 12.637 589 HB VAL 87 HB VAL 87 15.306 0.810 12.269 590 HG11 VAL 87 HG11 VAL 87 16.756 0.750 10.179 591 HG12 VAL 87 HG12 VAL 87 17.288 -0.262 11.547 592 HG13 VAL 87 HG13 VAL 87 16.524 -0.984 10.142 593 HG21 VAL 87 HG21 VAL 87 13.218 0.864 10.689 594 HG22 VAL 87 HG22 VAL 87 14.671 1.600 9.956 595 HG23 VAL 87 HG23 VAL 87 14.150 0.099 9.438 596 H GLU 88 H GLU 88 14.505 -0.976 14.532 597 HA GLU 88 HA GLU 88 11.822 -0.348 15.277 598 HB2 GLU 88 HB2 GLU 88 13.775 -0.943 16.755 599 HB3 GLU 88 HB3 GLU 88 14.228 0.719 16.751 600 HG2 GLU 88 HG2 GLU 88 12.015 1.410 17.546 601 HG3 GLU 88 HG3 GLU 88 11.647 -0.379 17.734 602 H GLY 89 H GLY 89 10.497 1.124 14.243 603 HA2 GLY 89 HA2 GLY 89 11.144 3.862 14.501 604 HA3 GLY 89 HA3 GLY 89 11.663 3.432 12.975 605 H ASN 90 H ASN 90 10.473 4.533 11.776 606 HA ASN 90 HA ASN 90 7.492 4.324 11.617 607 HB2 ASN 90 HB2 ASN 90 8.277 6.403 12.615 608 HB3 ASN 90 HB3 ASN 90 9.130 6.776 11.148 609 HD21 ASN 90 HD21 ASN 90 7.815 7.840 9.382 610 HD22 ASN 90 HD22 ASN 90 6.146 8.147 9.598 611 H TYR 91 H TYR 91 6.858 3.739 9.543 612 HA TYR 91 HA TYR 91 8.417 4.942 7.309 613 HB2 TYR 91 HB2 TYR 91 6.575 2.607 7.279 614 HB3 TYR 91 HB3 TYR 91 6.807 3.534 5.876 615 HD1 TYR 91 HD1 TYR 91 9.750 3.857 5.742 616 HD2 TYR 91 HD2 TYR 91 7.277 0.490 6.892 617 HE1 TYR 91 HE1 TYR 91 11.619 2.265 5.267 618 HE2 TYR 91 HE2 TYR 91 9.000 -1.032 6.285 619 HH TYR 91 HH TYR 91 11.114 -1.340 5.489 620 H ASN 92 H ASN 92 7.487 5.919 5.846 621 HA ASN 92 HA ASN 92 4.890 7.380 6.335 622 HB2 ASN 92 HB2 ASN 92 7.062 8.643 6.647 623 HB3 ASN 92 HB3 ASN 92 7.352 8.601 4.931 624 HD21 ASN 92 HD21 ASN 92 4.900 9.729 7.434 625 HD22 ASN 92 HD22 ASN 92 4.657 11.200 6.544 626 H VAL 93 H VAL 93 3.486 7.032 5.016 627 HA VAL 93 HA VAL 93 4.255 5.817 2.353 628 HB VAL 93 HB VAL 93 1.595 5.192 3.688 629 HG11 VAL 93 HG11 VAL 93 1.656 3.269 2.508 630 HG12 VAL 93 HG12 VAL 93 1.792 4.573 1.360 631 HG13 VAL 93 HG13 VAL 93 3.291 3.688 1.686 632 HG21 VAL 93 HG21 VAL 93 3.279 4.721 5.413 633 HG22 VAL 93 HG22 VAL 93 2.635 3.352 4.688 634 HG23 VAL 93 HG23 VAL 93 4.320 3.870 4.293 635 H ASN 94 H ASN 94 3.842 6.476 0.525 636 HA ASN 94 HA ASN 94 1.731 8.496 0.160 637 HB2 ASN 94 HB2 ASN 94 4.045 9.559 0.363 638 HB3 ASN 94 HB3 ASN 94 4.606 8.513 -0.930 639 HD21 ASN 94 HD21 ASN 94 4.907 9.506 -2.798 640 HD22 ASN 94 HD22 ASN 94 3.824 10.759 -3.382 641 H VAL 95 H VAL 95 0.426 7.950 -1.571 642 HA VAL 95 HA VAL 95 1.436 5.930 -3.593 643 HB VAL 95 HB VAL 95 -1.283 6.283 -2.483 644 HG11 VAL 95 HG11 VAL 95 -1.310 5.319 -4.777 645 HG12 VAL 95 HG12 VAL 95 -0.296 3.966 -4.126 646 HG13 VAL 95 HG13 VAL 95 -1.913 4.156 -3.461 647 HG21 VAL 95 HG21 VAL 95 -0.671 5.169 -0.671 648 HG22 VAL 95 HG22 VAL 95 -0.782 3.717 -1.630 649 HG23 VAL 95 HG23 VAL 95 0.748 4.600 -1.332 650 H THR 96 H THR 96 1.028 6.278 -5.680 651 HA THR 96 HA THR 96 -0.424 8.724 -6.489 652 HB THR 96 HB THR 96 1.301 8.848 -8.339 653 HG1 THR 96 HG1 THR 96 3.374 7.981 -7.426 654 HG21 THR 96 HG21 THR 96 2.294 9.438 -5.487 655 HG22 THR 96 HG22 THR 96 3.036 10.005 -7.027 656 HG23 THR 96 HG23 THR 96 1.365 10.426 -6.635 657 H LEU 97 H LEU 97 -1.297 8.607 -8.451 658 HA LEU 97 HA LEU 97 -1.862 6.003 -9.536 659 HB2 LEU 97 HB2 LEU 97 -3.646 8.462 -9.248 660 HB3 LEU 97 HB3 LEU 97 -4.136 7.013 -10.161 661 HG LEU 97 HG LEU 97 -4.465 5.770 -8.391 662 HD11 LEU 97 HD11 LEU 97 -4.199 6.436 -5.974 663 HD12 LEU 97 HD12 LEU 97 -2.726 5.960 -6.762 664 HD13 LEU 97 HD13 LEU 97 -3.091 7.745 -6.474 665 HD21 LEU 97 HD21 LEU 97 -5.427 8.470 -7.188 666 HD22 LEU 97 HD22 LEU 97 -6.044 7.837 -8.649 667 HD23 LEU 97 HD23 LEU 97 -6.174 6.881 -7.191 668 H ARG 98 H ARG 98 -0.767 5.918 -11.338 669 HA ARG 98 HA ARG 98 0.165 6.437 -13.440 670 HB2 ARG 98 HB2 ARG 98 -2.316 6.671 -14.063 671 HB3 ARG 98 HB3 ARG 98 -2.053 8.428 -13.892 672 HG2 ARG 98 HG2 ARG 98 -0.436 8.392 -15.627 673 HG3 ARG 98 HG3 ARG 98 -0.645 6.755 -15.997 674 HD2 ARG 98 HD2 ARG 98 -2.689 8.891 -16.286 675 HD3 ARG 98 HD3 ARG 98 -1.979 7.965 -17.624 676 HE ARG 98 HE ARG 98 -3.170 6.035 -16.201 677 HH11 ARG 98 HH11 ARG 98 -4.210 8.893 -17.957 678 HH12 ARG 98 HH12 ARG 98 -5.743 8.141 -18.466 679 HH21 ARG 98 HH21 ARG 98 -5.341 5.420 -16.376 680 HH22 ARG 98 HH22 ARG 98 -6.405 6.195 -17.567 681 H GLY 99 H GLY 99 1.346 7.499 -11.354 682 HA2 GLY 99 HA2 GLY 99 2.537 9.180 -10.404 683 HA3 GLY 99 HA3 GLY 99 2.519 9.700 -12.028 684 H ASN 100 H ASN 100 -0.681 10.003 -11.116 685 HA ASN 100 HA ASN 100 -0.518 12.686 -10.265 686 HB2 ASN 100 HB2 ASN 100 -2.847 10.836 -10.350 687 HB3 ASN 100 HB3 ASN 100 -2.996 12.589 -9.995 688 HD21 ASN 100 HD21 ASN 100 -2.965 10.179 -12.388 689 HD22 ASN 100 HD22 ASN 100 -2.653 11.228 -13.771 690 HA PRO 101 HA PRO 101 -0.460 11.320 -5.820 691 HB2 PRO 101 HB3 PRO 101 -0.059 13.816 -4.634 692 HB3 PRO 101 HB2 PRO 101 1.217 12.922 -5.545 693 HG2 PRO 101 HG3 PRO 101 -0.554 15.226 -6.261 694 HG3 PRO 101 HG2 PRO 101 1.099 14.942 -6.749 695 HD2 PRO 101 HD3 PRO 101 -1.022 14.359 -8.518 696 HD3 PRO 101 HD2 PRO 101 0.630 13.712 -8.499 697 H ILE 102 H ILE 102 -1.639 12.485 -3.761 698 HA ILE 102 HA ILE 102 -4.273 13.024 -4.326 699 HB ILE 102 HB ILE 102 -5.373 10.844 -3.544 700 HG12 ILE 102 HG12 ILE 102 -2.510 9.833 -3.283 701 HG13 ILE 102 HG13 ILE 102 -3.750 10.116 -1.991 702 HG21 ILE 102 HG21 ILE 102 -3.413 10.134 -5.724 703 HG22 ILE 102 HG22 ILE 102 -4.964 9.300 -5.304 704 HG23 ILE 102 HG23 ILE 102 -4.885 10.951 -6.030 705 HD11 ILE 102 HD11 ILE 102 -5.036 8.266 -2.730 706 HD12 ILE 102 HD12 ILE 102 -3.762 7.927 -4.007 707 HD13 ILE 102 HD13 ILE 102 -3.442 7.784 -2.299 708 H LYS 103 H LYS 103 -5.871 12.441 -2.165 709 HA LYS 103 HA LYS 103 -4.692 14.206 -0.408 710 HB2 LYS 103 HB2 LYS 103 -7.016 14.179 0.353 711 HB3 LYS 103 HB3 LYS 103 -6.832 14.556 -1.347 712 HG2 LYS 103 HG2 LYS 103 -7.561 12.123 -1.839 713 HG3 LYS 103 HG3 LYS 103 -7.675 11.972 -0.041 714 HD2 LYS 103 HD2 LYS 103 -9.362 13.898 -1.771 715 HD3 LYS 103 HD3 LYS 103 -9.847 12.332 -1.242 716 HE2 LYS 103 HE2 LYS 103 -9.121 13.458 1.195 717 HE3 LYS 103 HE3 LYS 103 -9.328 14.877 0.270 718 HZ1 LYS 103 HZ1 LYS 103 -11.654 14.404 0.166 719 HZ2 LYS 103 HZ2 LYS 103 -11.389 12.869 0.057 720 HZ3 LYS 103 HZ3 LYS 103 -11.338 13.659 1.572 721 H ASN 104 H ASN 104 -5.249 14.035 2.002 722 HA ASN 104 HA ASN 104 -5.097 13.167 4.085 723 HB2 ASN 104 HB2 ASN 104 -6.231 10.544 2.963 724 HB3 ASN 104 HB3 ASN 104 -6.223 11.243 4.587 725 HD21 ASN 104 HD21 ASN 104 -6.934 13.979 4.038 726 HD22 ASN 104 HD22 ASN 104 -8.635 13.817 3.666 727 H MET 105 H MET 105 -2.740 13.149 2.470 728 HA MET 105 HA MET 105 -1.312 10.688 3.080 729 HB2 MET 105 HB2 MET 105 -2.403 10.461 0.841 730 HB3 MET 105 HB3 MET 105 -1.309 11.645 0.232 731 HG2 MET 105 HG2 MET 105 0.542 10.248 0.555 732 HG3 MET 105 HG3 MET 105 -0.271 9.403 1.917 733 HE1 MET 105 HE1 MET 105 -2.208 7.914 1.824 734 HE2 MET 105 HE2 MET 105 -2.190 6.490 0.775 735 HE3 MET 105 HE3 MET 105 -0.799 6.851 1.842 736 HA PRO 106 HA PRO 106 1.390 10.093 2.864 737 HB2 PRO 106 HB3 PRO 106 3.283 10.676 4.573 738 HB3 PRO 106 HB2 PRO 106 3.408 10.314 2.841 739 HG2 PRO 106 HG3 PRO 106 3.353 13.072 4.120 740 HG3 PRO 106 HG2 PRO 106 4.299 12.564 2.659 741 HD2 PRO 106 HD3 PRO 106 2.071 14.058 2.708 742 HD3 PRO 106 HD2 PRO 106 2.325 12.933 1.395 743 H ILE 107 H ILE 107 1.405 8.790 4.470 744 HA ILE 107 HA ILE 107 0.165 9.520 6.933 745 HB ILE 107 HB ILE 107 -1.109 7.359 7.128 746 HG12 ILE 107 HG12 ILE 107 -0.239 7.139 4.233 747 HG13 ILE 107 HG13 ILE 107 0.315 6.076 5.424 748 HG21 ILE 107 HG21 ILE 107 -2.014 9.606 6.242 749 HG22 ILE 107 HG22 ILE 107 -1.852 9.086 4.630 750 HG23 ILE 107 HG23 ILE 107 -2.859 8.116 5.689 751 HD11 ILE 107 HD11 ILE 107 -1.215 5.168 4.009 752 HD12 ILE 107 HD12 ILE 107 -2.059 5.273 5.608 753 HD13 ILE 107 HD13 ILE 107 -2.547 6.360 4.260 754 H ASP 108 H ASP 108 0.634 7.720 8.766 755 HA ASP 108 HA ASP 108 3.326 6.626 8.334 756 HB2 ASP 108 HB2 ASP 108 2.386 8.003 10.915 757 HB3 ASP 108 HB3 ASP 108 3.976 7.356 10.621 758 H VAL 109 H VAL 109 3.897 4.959 8.848 759 HA VAL 109 HA VAL 109 2.288 3.037 10.528 760 HB VAL 109 HB VAL 109 3.841 2.664 7.965 761 HG11 VAL 109 HG11 VAL 109 2.163 0.879 9.793 762 HG12 VAL 109 HG12 VAL 109 2.636 0.409 8.082 763 HG13 VAL 109 HG13 VAL 109 3.869 0.748 9.294 764 HG21 VAL 109 HG21 VAL 109 0.881 2.434 8.474 765 HG22 VAL 109 HG22 VAL 109 1.572 3.806 7.454 766 HG23 VAL 109 HG23 VAL 109 1.700 2.183 6.878 767 H LYS 110 H LYS 110 3.182 2.242 12.271 768 HA LYS 110 HA LYS 110 5.917 2.703 12.876 769 HB2 LYS 110 HB2 LYS 110 4.072 2.882 14.528 770 HB3 LYS 110 HB3 LYS 110 3.793 1.164 14.460 771 HG2 LYS 110 HG2 LYS 110 6.108 0.947 15.361 772 HG3 LYS 110 HG3 LYS 110 6.280 2.661 15.294 773 HD2 LYS 110 HD2 LYS 110 6.064 1.869 17.545 774 HD3 LYS 110 HD3 LYS 110 4.516 2.802 17.061 775 HE2 LYS 110 HE2 LYS 110 3.289 0.741 16.709 776 HE3 LYS 110 HE3 LYS 110 4.813 -0.133 16.867 777 HZ1 LYS 110 HZ1 LYS 110 3.498 1.171 19.045 778 HZ2 LYS 110 HZ2 LYS 110 3.702 -0.451 18.904 779 HZ3 LYS 110 HZ3 LYS 110 5.039 0.411 19.098 780 H CYS 111 H CYS 111 7.587 1.518 13.120 781 HA CYS 111 HA CYS 111 7.706 -1.175 11.697 782 HB2 CYS 111 HB2 CYS 111 9.468 1.162 11.987 783 HB3 CYS 111 HB3 CYS 111 9.973 -0.242 11.036 784 HG CYS 111 HG CYS 111 7.460 1.802 10.379 785 H ILE 112 H ILE 112 9.083 -2.562 12.476 786 HA ILE 112 HA ILE 112 11.158 -1.878 14.190 787 HB ILE 112 HB ILE 112 9.229 -2.248 15.696 788 HG12 ILE 112 HG12 ILE 112 11.418 -4.050 16.576 789 HG13 ILE 112 HG13 ILE 112 11.750 -2.348 16.470 790 HG21 ILE 112 HG21 ILE 112 8.292 -4.345 16.424 791 HG22 ILE 112 HG22 ILE 112 8.244 -4.091 14.655 792 HG23 ILE 112 HG23 ILE 112 9.424 -5.192 15.412 793 HD11 ILE 112 HD11 ILE 112 11.303 -3.126 18.722 794 HD12 ILE 112 HD12 ILE 112 9.931 -2.083 18.235 795 HD13 ILE 112 HD13 ILE 112 9.750 -3.846 18.272 796 H GLU 113 H GLU 113 12.809 -3.436 14.671 797 HA GLU 113 HA GLU 113 13.226 -5.225 12.509 798 HB2 GLU 113 HB2 GLU 113 15.466 -5.575 13.609 799 HB3 GLU 113 HB3 GLU 113 15.109 -3.947 13.328 800 HG2 GLU 113 HG2 GLU 113 14.079 -4.073 15.841 801 HG3 GLU 113 HG3 GLU 113 15.195 -5.525 15.902 802 H GLY 114 H GLY 114 10.995 -6.188 13.428 803 HA2 GLY 114 HA2 GLY 114 11.484 -8.431 15.134 804 HA3 GLY 114 HA3 GLY 114 10.079 -8.228 14.131 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -20.967 -8.689 -9.235 2 H2 MET 1 H2 MET 1 -20.086 -8.664 -7.861 3 H3 MET 1 H3 MET 1 -21.440 -7.711 -8.084 4 HA MET 1 HA MET 1 -20.371 -6.448 -9.784 5 HB2 MET 1 HB2 MET 1 -20.053 -5.563 -7.813 6 HB3 MET 1 HB3 MET 1 -18.774 -6.590 -7.254 7 HG2 MET 1 HG2 MET 1 -18.512 -4.843 -9.611 8 HG3 MET 1 HG3 MET 1 -18.173 -4.164 -7.958 9 HE1 MET 1 HE1 MET 1 -14.826 -4.575 -10.052 10 HE2 MET 1 HE2 MET 1 -16.387 -4.599 -10.876 11 HE3 MET 1 HE3 MET 1 -16.107 -3.389 -9.683 12 H HIS 2 H HIS 2 -19.055 -6.979 -11.690 13 HA HIS 2 HA HIS 2 -17.080 -9.204 -11.332 14 HB2 HIS 2 HB2 HIS 2 -19.043 -9.793 -12.622 15 HB3 HIS 2 HB3 HIS 2 -18.705 -8.444 -13.750 16 HD1 HIS 2 HD1 HIS 2 -16.584 -11.234 -12.248 17 HD2 HIS 2 HD2 HIS 2 -17.856 -9.809 -15.959 18 HE1 HIS 2 HE1 HIS 2 -15.496 -12.784 -13.992 19 H HIS 3 H HIS 3 -15.092 -8.990 -11.864 20 HA HIS 3 HA HIS 3 -14.126 -6.568 -13.231 21 HB2 HIS 3 HB2 HIS 3 -13.039 -7.062 -10.971 22 HB3 HIS 3 HB3 HIS 3 -12.485 -8.569 -11.607 23 HD1 HIS 3 HD1 HIS 3 -11.387 -5.172 -10.969 24 HD2 HIS 3 HD2 HIS 3 -10.523 -8.034 -13.880 25 HE1 HIS 3 HE1 HIS 3 -9.067 -4.729 -11.614 26 H HIS 4 H HIS 4 -13.893 -6.780 -15.291 27 HA HIS 4 HA HIS 4 -12.258 -8.879 -16.440 28 HB2 HIS 4 HB2 HIS 4 -14.620 -9.818 -16.744 29 HB3 HIS 4 HB3 HIS 4 -15.080 -8.092 -17.218 30 HD1 HIS 4 HD1 HIS 4 -15.120 -8.113 -19.836 31 HD2 HIS 4 HD2 HIS 4 -12.800 -11.272 -18.243 32 HE1 HIS 4 HE1 HIS 4 -14.388 -9.626 -21.831 33 H HIS 5 H HIS 5 -11.032 -8.080 -17.958 34 HA HIS 5 HA HIS 5 -11.320 -5.441 -18.942 35 HB2 HIS 5 HB2 HIS 5 -9.545 -7.767 -19.889 36 HB3 HIS 5 HB3 HIS 5 -9.628 -6.059 -20.552 37 HD1 HIS 5 HD1 HIS 5 -8.229 -4.245 -19.178 38 HD2 HIS 5 HD2 HIS 5 -8.550 -8.043 -17.370 39 HE1 HIS 5 HE1 HIS 5 -6.632 -4.264 -17.245 40 H HIS 6 H HIS 6 -13.130 -5.099 -19.959 41 HA HIS 6 HA HIS 6 -13.997 -6.780 -22.229 42 HB2 HIS 6 HB2 HIS 6 -15.332 -4.340 -21.034 43 HB3 HIS 6 HB3 HIS 6 -15.942 -5.375 -22.416 44 HD1 HIS 6 HD1 HIS 6 -15.892 -5.387 -18.621 45 HD2 HIS 6 HD2 HIS 6 -17.193 -7.522 -21.974 46 HE1 HIS 6 HE1 HIS 6 -17.729 -6.980 -17.860 47 H HIS 7 H HIS 7 -12.303 -3.836 -21.702 48 HA HIS 7 HA HIS 7 -12.429 -3.166 -24.634 49 HB2 HIS 7 HB2 HIS 7 -12.853 -1.444 -22.210 50 HB3 HIS 7 HB3 HIS 7 -12.578 -0.810 -23.816 51 HD1 HIS 7 HD1 HIS 7 -15.529 -2.403 -21.881 52 HD2 HIS 7 HD2 HIS 7 -14.161 -1.429 -25.787 53 HE1 HIS 7 HE1 HIS 7 -17.504 -2.675 -23.425 54 H ALA 8 H ALA 8 -10.697 -1.719 -25.398 55 HA ALA 8 HA ALA 8 -8.235 -1.906 -24.022 56 HB1 ALA 8 HB1 ALA 8 -7.336 -0.735 -25.848 57 HB2 ALA 8 HB2 ALA 8 -8.683 -1.820 -26.441 58 HB3 ALA 8 HB3 ALA 8 -8.907 -0.102 -26.455 59 H SER 9 H SER 9 -10.381 0.939 -24.498 60 HA SER 9 HA SER 9 -8.984 2.746 -22.781 61 HB2 SER 9 HB2 SER 9 -11.816 2.552 -23.783 62 HB3 SER 9 HB3 SER 9 -11.042 4.036 -23.118 63 HG SER 9 HG SER 9 -10.909 4.339 -25.124 64 H LYS 10 H LYS 10 -9.285 3.238 -20.637 65 HA LYS 10 HA LYS 10 -11.200 1.693 -19.033 66 HB2 LYS 10 HB2 LYS 10 -8.271 2.274 -18.477 67 HB3 LYS 10 HB3 LYS 10 -9.558 1.810 -17.233 68 HG2 LYS 10 HG2 LYS 10 -10.051 -0.293 -18.403 69 HG3 LYS 10 HG3 LYS 10 -8.881 0.088 -19.577 70 HD2 LYS 10 HD2 LYS 10 -8.148 -0.604 -16.773 71 HD3 LYS 10 HD3 LYS 10 -7.829 -1.382 -18.338 72 HE2 LYS 10 HE2 LYS 10 -6.280 0.212 -19.047 73 HE3 LYS 10 HE3 LYS 10 -6.803 1.386 -17.808 74 HZ1 LYS 10 HZ1 LYS 10 -4.592 0.165 -17.217 75 HZ2 LYS 10 HZ2 LYS 10 -5.851 0.110 -16.176 76 HZ3 LYS 10 HZ3 LYS 10 -5.471 -1.146 -17.089 77 HA PRO 11 HA PRO 11 -11.366 5.797 -16.958 78 HB2 PRO 11 HB3 PRO 11 -12.673 4.144 -14.908 79 HB3 PRO 11 HB2 PRO 11 -13.178 5.669 -15.662 80 HG2 PRO 11 HG3 PRO 11 -14.319 3.203 -16.050 81 HG3 PRO 11 HG2 PRO 11 -14.211 4.427 -17.470 82 HD2 PRO 11 HD3 PRO 11 -12.403 2.127 -16.807 83 HD3 PRO 11 HD2 PRO 11 -13.114 2.511 -18.340 84 H ALA 12 H ALA 12 -10.614 6.769 -15.234 85 HA ALA 12 HA ALA 12 -8.226 5.350 -14.107 86 HB1 ALA 12 HB1 ALA 12 -9.262 8.133 -14.065 87 HB2 ALA 12 HB2 ALA 12 -7.903 7.758 -13.058 88 HB3 ALA 12 HB3 ALA 12 -7.800 7.674 -14.896 89 HA PRO 13 HA PRO 13 -9.809 5.297 -9.935 90 HB2 PRO 13 HB3 PRO 13 -6.884 5.448 -9.425 91 HB3 PRO 13 HB2 PRO 13 -8.129 4.400 -8.570 92 HG2 PRO 13 HG3 PRO 13 -6.363 3.322 -10.377 93 HG3 PRO 13 HG2 PRO 13 -8.055 2.818 -10.473 94 HD2 PRO 13 HD3 PRO 13 -6.671 5.019 -12.002 95 HD3 PRO 13 HD2 PRO 13 -7.891 3.781 -12.573 96 H SER 14 H SER 14 -9.664 6.996 -8.060 97 HA SER 14 HA SER 14 -8.169 9.430 -8.809 98 HB2 SER 14 HB2 SER 14 -10.413 9.649 -9.777 99 HB3 SER 14 HB3 SER 14 -11.148 9.325 -8.152 100 HG SER 14 HG SER 14 -9.488 11.498 -8.916 101 H ALA 15 H ALA 15 -8.691 11.236 -6.925 102 HA ALA 15 HA ALA 15 -7.380 10.210 -4.735 103 HB1 ALA 15 HB1 ALA 15 -7.048 12.443 -6.026 104 HB2 ALA 15 HB2 ALA 15 -8.503 12.933 -5.228 105 HB3 ALA 15 HB3 ALA 15 -7.037 12.616 -4.238 106 H GLU 16 H GLU 16 -10.564 11.666 -5.008 107 HA GLU 16 HA GLU 16 -11.679 11.096 -2.577 108 HB2 GLU 16 HB2 GLU 16 -12.679 11.214 -5.504 109 HB3 GLU 16 HB3 GLU 16 -13.768 11.039 -4.168 110 HG2 GLU 16 HG2 GLU 16 -13.897 13.179 -4.614 111 HG3 GLU 16 HG3 GLU 16 -13.052 13.120 -3.146 112 H HIS 17 H HIS 17 -10.845 8.887 -5.074 113 HA HIS 17 HA HIS 17 -12.598 6.769 -4.074 114 HB2 HIS 17 HB2 HIS 17 -11.930 7.662 -6.915 115 HB3 HIS 17 HB3 HIS 17 -12.829 6.203 -6.433 116 HD1 HIS 17 HD1 HIS 17 -15.125 7.037 -4.411 117 HD2 HIS 17 HD2 HIS 17 -13.782 9.642 -7.471 118 HE1 HIS 17 HE1 HIS 17 -16.601 9.058 -4.517 119 H SER 18 H SER 18 -9.495 7.189 -3.917 120 HA SER 18 HA SER 18 -9.134 4.221 -4.061 121 HB2 SER 18 HB2 SER 18 -8.092 5.215 -6.056 122 HB3 SER 18 HB3 SER 18 -7.049 6.157 -4.858 123 HG SER 18 HG SER 18 -6.406 4.302 -3.969 124 H TYR 19 H TYR 19 -8.730 3.410 -2.114 125 HA TYR 19 HA TYR 19 -7.502 4.864 -0.231 126 HB2 TYR 19 HB2 TYR 19 -10.342 4.158 0.381 127 HB3 TYR 19 HB3 TYR 19 -9.085 4.230 1.712 128 HD1 TYR 19 HD1 TYR 19 -11.245 6.150 -0.549 129 HD2 TYR 19 HD2 TYR 19 -8.045 6.291 2.298 130 HE1 TYR 19 HE1 TYR 19 -11.762 8.535 0.103 131 HE2 TYR 19 HE2 TYR 19 -8.441 8.663 2.721 132 HH TYR 19 HH TYR 19 -9.767 10.427 2.281 133 H ALA 20 H ALA 20 -6.896 3.435 1.555 134 HA ALA 20 HA ALA 20 -6.503 0.668 0.692 135 HB1 ALA 20 HB1 ALA 20 -4.277 2.626 1.565 136 HB2 ALA 20 HB2 ALA 20 -4.141 0.885 1.397 137 HB3 ALA 20 HB3 ALA 20 -4.564 1.796 0.018 138 H GLU 21 H GLU 21 -6.115 -0.960 2.366 139 HA GLU 21 HA GLU 21 -6.219 -0.236 5.172 140 HB2 GLU 21 HB2 GLU 21 -8.554 -0.666 4.023 141 HB3 GLU 21 HB3 GLU 21 -7.880 -2.188 3.447 142 HG2 GLU 21 HG2 GLU 21 -7.948 -3.119 5.768 143 HG3 GLU 21 HG3 GLU 21 -8.298 -1.568 6.441 144 H GLY 22 H GLY 22 -5.258 -1.575 6.582 145 HA2 GLY 22 HA2 GLY 22 -5.352 -3.989 7.204 146 HA3 GLY 22 HA3 GLY 22 -4.390 -4.316 5.712 147 H GLU 23 H GLU 23 -2.619 -5.273 7.234 148 HA GLU 23 HA GLU 23 -1.963 -3.659 9.563 149 HB2 GLU 23 HB2 GLU 23 -2.253 -6.257 9.108 150 HB3 GLU 23 HB3 GLU 23 -0.581 -6.077 8.606 151 HG2 GLU 23 HG2 GLU 23 0.182 -5.317 10.652 152 HG3 GLU 23 HG3 GLU 23 -1.487 -5.060 11.369 153 H GLY 24 H GLY 24 -0.541 -4.017 6.281 154 HA2 GLY 24 HA2 GLY 24 1.860 -2.752 6.906 155 HA3 GLY 24 HA3 GLY 24 0.976 -2.806 5.355 156 H LEU 25 H LEU 25 -1.188 -1.405 7.397 157 HA LEU 25 HA LEU 25 -0.006 1.278 7.644 158 HB2 LEU 25 HB2 LEU 25 -2.872 0.686 7.326 159 HB3 LEU 25 HB3 LEU 25 -2.034 2.176 7.445 160 HG LEU 25 HG LEU 25 -1.784 0.215 5.076 161 HD11 LEU 25 HD11 LEU 25 -4.062 1.320 5.490 162 HD12 LEU 25 HD12 LEU 25 -3.342 2.869 5.337 163 HD13 LEU 25 HD13 LEU 25 -3.397 1.728 3.913 164 HD21 LEU 25 HD21 LEU 25 -0.993 3.112 5.616 165 HD22 LEU 25 HD22 LEU 25 0.113 1.793 5.421 166 HD23 LEU 25 HD23 LEU 25 -0.992 2.336 4.025 167 H VAL 26 H VAL 26 0.139 -1.005 9.615 168 HA VAL 26 HA VAL 26 -0.847 0.405 12.003 169 HB VAL 26 HB VAL 26 -1.173 -2.552 11.519 170 HG11 VAL 26 HG11 VAL 26 -3.037 -2.389 13.380 171 HG12 VAL 26 HG12 VAL 26 -1.472 -1.844 13.981 172 HG13 VAL 26 HG13 VAL 26 -2.527 -0.629 13.463 173 HG21 VAL 26 HG21 VAL 26 -3.713 -2.398 11.251 174 HG22 VAL 26 HG22 VAL 26 -3.427 -0.695 11.206 175 HG23 VAL 26 HG23 VAL 26 -2.758 -1.674 9.892 176 H LYS 27 H LYS 27 1.289 -2.419 10.713 177 HA LYS 27 HA LYS 27 3.329 -1.450 12.229 178 HB2 LYS 27 HB2 LYS 27 1.679 -2.795 14.034 179 HB3 LYS 27 HB3 LYS 27 2.399 -4.095 13.191 180 HG2 LYS 27 HG2 LYS 27 4.620 -3.478 13.788 181 HG3 LYS 27 HG3 LYS 27 4.168 -1.833 14.282 182 HD2 LYS 27 HD2 LYS 27 3.535 -4.402 15.829 183 HD3 LYS 27 HD3 LYS 27 4.832 -3.207 16.134 184 HE2 LYS 27 HE2 LYS 27 3.162 -1.470 16.437 185 HE3 LYS 27 HE3 LYS 27 1.848 -2.692 16.143 186 HZ1 LYS 27 HZ1 LYS 27 3.615 -2.218 18.360 187 HZ2 LYS 27 HZ2 LYS 27 2.091 -2.557 18.535 188 HZ3 LYS 27 HZ3 LYS 27 3.144 -3.757 18.190 189 H VAL 28 H VAL 28 5.249 -2.455 11.792 190 HA VAL 28 HA VAL 28 5.236 -4.599 9.758 191 HB VAL 28 HB VAL 28 6.449 -1.933 9.220 192 HG11 VAL 28 HG11 VAL 28 6.301 -2.962 6.802 193 HG12 VAL 28 HG12 VAL 28 7.679 -3.181 7.846 194 HG13 VAL 28 HG13 VAL 28 6.407 -4.434 7.752 195 HG21 VAL 28 HG21 VAL 28 3.728 -3.056 8.296 196 HG22 VAL 28 HG22 VAL 28 4.089 -1.593 9.119 197 HG23 VAL 28 HG23 VAL 28 4.709 -1.625 7.520 198 H PHE 29 H PHE 29 7.012 -5.678 9.563 199 HA PHE 29 HA PHE 29 9.181 -5.120 11.512 200 HB2 PHE 29 HB2 PHE 29 8.253 -7.870 11.116 201 HB3 PHE 29 HB3 PHE 29 9.120 -7.194 12.458 202 HD1 PHE 29 HD1 PHE 29 7.943 -5.712 14.012 203 HD2 PHE 29 HD2 PHE 29 5.864 -7.838 10.985 204 HE1 PHE 29 HE1 PHE 29 5.763 -5.264 15.157 205 HE2 PHE 29 HE2 PHE 29 3.660 -7.299 11.961 206 HZ PHE 29 HZ PHE 29 3.591 -6.000 14.088 207 H ASP 30 H ASP 30 11.035 -7.010 11.287 208 HA ASP 30 HA ASP 30 12.185 -6.210 8.788 209 HB2 ASP 30 HB2 ASP 30 13.335 -5.666 10.646 210 HB3 ASP 30 HB3 ASP 30 13.376 -7.343 11.225 211 H ASN 31 H ASN 31 11.534 -9.219 10.768 212 HA ASN 31 HA ASN 31 12.113 -10.910 8.466 213 HB2 ASN 31 HB2 ASN 31 11.946 -11.516 11.345 214 HB3 ASN 31 HB3 ASN 31 12.228 -12.751 10.070 215 HD21 ASN 31 HD21 ASN 31 13.724 -10.318 12.113 216 HD22 ASN 31 HD22 ASN 31 15.255 -10.311 11.287 217 H ALA 32 H ALA 32 9.715 -9.235 9.226 218 HA ALA 32 HA ALA 32 7.611 -11.074 8.118 219 HB1 ALA 32 HB1 ALA 32 5.918 -10.165 9.648 220 HB2 ALA 32 HB2 ALA 32 7.014 -11.134 10.531 221 HB3 ALA 32 HB3 ALA 32 7.130 -9.347 10.653 222 HA PRO 33 HA PRO 33 7.305 -7.657 5.275 223 HB2 PRO 33 HB3 PRO 33 6.562 -10.125 3.908 224 HB3 PRO 33 HB2 PRO 33 7.113 -8.586 3.260 225 HG2 PRO 33 HG3 PRO 33 8.871 -10.685 3.772 226 HG3 PRO 33 HG2 PRO 33 9.380 -8.929 4.315 227 HD2 PRO 33 HD3 PRO 33 8.152 -11.167 5.873 228 HD3 PRO 33 HD2 PRO 33 9.545 -10.027 6.311 229 H ALA 34 H ALA 34 5.589 -6.595 5.389 230 HA ALA 34 HA ALA 34 3.022 -7.425 6.718 231 HB1 ALA 34 HB1 ALA 34 4.402 -4.810 6.131 232 HB2 ALA 34 HB2 ALA 34 2.859 -5.028 6.905 233 HB3 ALA 34 HB3 ALA 34 4.393 -5.529 7.711 234 H GLU 35 H GLU 35 1.108 -7.136 5.665 235 HA GLU 35 HA GLU 35 1.131 -6.431 2.865 236 HB2 GLU 35 HB2 GLU 35 -0.404 -8.523 4.394 237 HB3 GLU 35 HB3 GLU 35 -0.997 -7.915 2.886 238 HG2 GLU 35 HG2 GLU 35 1.007 -8.465 1.692 239 HG3 GLU 35 HG3 GLU 35 1.945 -8.862 3.103 240 H PHE 36 H PHE 36 -0.579 -4.952 1.992 241 HA PHE 36 HA PHE 36 -2.861 -4.631 3.499 242 HB2 PHE 36 HB2 PHE 36 -2.751 -2.208 4.125 243 HB3 PHE 36 HB3 PHE 36 -1.304 -3.029 4.624 244 HD1 PHE 36 HD1 PHE 36 -2.847 -0.362 2.731 245 HD2 PHE 36 HD2 PHE 36 0.679 -2.758 3.041 246 HE1 PHE 36 HE1 PHE 36 -1.645 1.324 1.496 247 HE2 PHE 36 HE2 PHE 36 1.898 -1.135 1.591 248 HZ PHE 36 HZ PHE 36 0.775 0.985 0.855 249 H THR 37 H THR 37 -4.217 -2.719 2.062 250 HA THR 37 HA THR 37 -3.858 -3.724 -0.656 251 HB THR 37 HB THR 37 -6.222 -4.393 1.235 252 HG1 THR 37 HG1 THR 37 -5.009 -5.728 1.457 253 HG21 THR 37 HG21 THR 37 -7.157 -5.519 -0.723 254 HG22 THR 37 HG22 THR 37 -7.199 -3.816 -1.101 255 HG23 THR 37 HG23 THR 37 -5.873 -4.849 -1.793 256 H ILE 38 H ILE 38 -4.570 -2.322 -2.278 257 HA ILE 38 HA ILE 38 -5.897 0.231 -1.484 258 HB ILE 38 HB ILE 38 -4.333 -0.649 -3.877 259 HG12 ILE 38 HG12 ILE 38 -3.599 1.800 -2.326 260 HG13 ILE 38 HG13 ILE 38 -3.277 0.280 -1.544 261 HG21 ILE 38 HG21 ILE 38 -5.914 0.659 -4.797 262 HG22 ILE 38 HG22 ILE 38 -5.855 1.939 -3.433 263 HG23 ILE 38 HG23 ILE 38 -4.615 1.640 -4.731 264 HD11 ILE 38 HD11 ILE 38 -2.159 1.401 -4.169 265 HD12 ILE 38 HD12 ILE 38 -1.348 1.154 -2.674 266 HD13 ILE 38 HD13 ILE 38 -1.900 -0.309 -3.594 267 H PHE 39 H PHE 39 -7.893 0.341 -1.655 268 HA PHE 39 HA PHE 39 -9.358 -1.295 -3.525 269 HB2 PHE 39 HB2 PHE 39 -11.320 -0.996 -2.025 270 HB3 PHE 39 HB3 PHE 39 -10.094 -1.728 -1.257 271 HD1 PHE 39 HD1 PHE 39 -12.115 1.153 -1.451 272 HD2 PHE 39 HD2 PHE 39 -8.736 -0.564 0.647 273 HE1 PHE 39 HE1 PHE 39 -12.530 2.719 0.391 274 HE2 PHE 39 HE2 PHE 39 -9.119 1.086 2.469 275 HZ PHE 39 HZ PHE 39 -11.185 2.542 2.422 276 H ALA 40 H ALA 40 -10.046 -0.578 -5.343 277 HA ALA 40 HA ALA 40 -9.785 2.347 -5.766 278 HB1 ALA 40 HB1 ALA 40 -9.395 0.084 -7.720 279 HB2 ALA 40 HB2 ALA 40 -8.894 1.740 -7.897 280 HB3 ALA 40 HB3 ALA 40 -8.015 0.760 -6.718 281 H VAL 41 H VAL 41 -11.248 3.394 -6.278 282 HA VAL 41 HA VAL 41 -13.303 2.416 -8.197 283 HB VAL 41 HB VAL 41 -13.596 4.181 -5.872 284 HG11 VAL 41 HG11 VAL 41 -14.695 5.593 -7.732 285 HG12 VAL 41 HG12 VAL 41 -15.480 4.018 -8.319 286 HG13 VAL 41 HG13 VAL 41 -15.951 4.743 -6.878 287 HG21 VAL 41 HG21 VAL 41 -14.294 1.865 -5.545 288 HG22 VAL 41 HG22 VAL 41 -15.524 3.121 -5.359 289 HG23 VAL 41 HG23 VAL 41 -15.486 2.049 -6.802 290 H ASP 42 H ASP 42 -13.877 3.760 -9.981 291 HA ASP 42 HA ASP 42 -11.966 5.918 -10.676 292 HB2 ASP 42 HB2 ASP 42 -13.224 6.186 -12.684 293 HB3 ASP 42 HB3 ASP 42 -12.642 4.532 -12.286 294 H THR 43 H THR 43 -15.446 6.081 -10.413 295 HA THR 43 HA THR 43 -15.738 8.329 -8.996 296 HB THR 43 HB THR 43 -16.970 9.705 -10.841 297 HG1 THR 43 HG1 THR 43 -15.857 9.327 -12.868 298 HG21 THR 43 HG21 THR 43 -14.472 10.133 -10.013 299 HG22 THR 43 HG22 THR 43 -14.096 9.697 -11.710 300 HG23 THR 43 HG23 THR 43 -15.203 11.015 -11.411 301 H LYS 44 H LYS 44 -17.043 5.795 -10.960 302 HA LYS 44 HA LYS 44 -19.664 6.750 -10.312 303 HB2 LYS 44 HB2 LYS 44 -19.122 4.646 -12.244 304 HB3 LYS 44 HB3 LYS 44 -20.732 5.154 -11.796 305 HG2 LYS 44 HG2 LYS 44 -20.096 7.501 -12.365 306 HG3 LYS 44 HG3 LYS 44 -18.492 6.895 -12.823 307 HD2 LYS 44 HD2 LYS 44 -19.371 5.812 -14.830 308 HD3 LYS 44 HD3 LYS 44 -21.067 5.997 -14.267 309 HE2 LYS 44 HE2 LYS 44 -20.892 8.323 -14.292 310 HE3 LYS 44 HE3 LYS 44 -19.162 8.384 -14.601 311 HZ1 LYS 44 HZ1 LYS 44 -20.657 8.761 -16.491 312 HZ2 LYS 44 HZ2 LYS 44 -19.551 7.539 -16.785 313 HZ3 LYS 44 HZ3 LYS 44 -21.174 7.256 -16.485 314 H GLY 45 H GLY 45 -17.929 5.314 -8.396 315 HA2 GLY 45 HA2 GLY 45 -18.364 4.433 -6.313 316 HA3 GLY 45 HA3 GLY 45 -20.063 4.109 -6.953 317 H VAL 46 H VAL 46 -19.722 2.276 -8.993 318 HA VAL 46 HA VAL 46 -19.064 -0.208 -7.670 319 HB VAL 46 HB VAL 46 -19.106 0.595 -10.584 320 HG11 VAL 46 HG11 VAL 46 -18.803 -2.294 -9.631 321 HG12 VAL 46 HG12 VAL 46 -18.982 -1.634 -11.335 322 HG13 VAL 46 HG13 VAL 46 -17.566 -1.372 -10.420 323 HG21 VAL 46 HG21 VAL 46 -21.221 0.568 -9.402 324 HG22 VAL 46 HG22 VAL 46 -21.140 -0.908 -10.417 325 HG23 VAL 46 HG23 VAL 46 -20.975 -0.968 -8.701 326 H ALA 47 H ALA 47 -17.067 -1.233 -7.344 327 HA ALA 47 HA ALA 47 -14.540 0.238 -7.498 328 HB1 ALA 47 HB1 ALA 47 -15.222 -2.713 -7.196 329 HB2 ALA 47 HB2 ALA 47 -13.677 -1.970 -6.971 330 HB3 ALA 47 HB3 ALA 47 -15.115 -1.505 -5.887 331 H ARG 48 H ARG 48 -12.647 -0.477 -8.535 332 HA ARG 48 HA ARG 48 -12.947 -0.058 -11.274 333 HB2 ARG 48 HB2 ARG 48 -10.703 -1.273 -9.660 334 HB3 ARG 48 HB3 ARG 48 -10.461 -0.975 -11.356 335 HG2 ARG 48 HG2 ARG 48 -11.182 1.172 -9.407 336 HG3 ARG 48 HG3 ARG 48 -9.649 1.037 -9.996 337 HD2 ARG 48 HD2 ARG 48 -11.983 1.844 -11.863 338 HD3 ARG 48 HD3 ARG 48 -10.699 2.790 -11.045 339 HE ARG 48 HE ARG 48 -9.077 1.474 -12.381 340 HH11 ARG 48 HH11 ARG 48 -12.361 1.009 -13.675 341 HH12 ARG 48 HH12 ARG 48 -11.696 0.036 -14.968 342 HH21 ARG 48 HH21 ARG 48 -8.427 0.660 -14.256 343 HH22 ARG 48 HH22 ARG 48 -9.709 -0.128 -15.286 344 H THR 49 H THR 49 -13.684 -1.073 -12.774 345 HA THR 49 HA THR 49 -14.608 -3.689 -12.517 346 HB THR 49 HB THR 49 -15.832 -3.483 -14.477 347 HG1 THR 49 HG1 THR 49 -14.842 -2.528 -16.038 348 HG21 THR 49 HG21 THR 49 -17.073 -1.400 -14.134 349 HG22 THR 49 HG22 THR 49 -16.916 -2.468 -12.774 350 HG23 THR 49 HG23 THR 49 -15.878 -0.992 -12.890 351 H ASP 50 H ASP 50 -11.638 -2.782 -13.440 352 HA ASP 50 HA ASP 50 -10.761 -5.002 -14.860 353 HB2 ASP 50 HB2 ASP 50 -9.987 -3.501 -16.889 354 HB3 ASP 50 HB3 ASP 50 -11.628 -4.158 -16.811 355 H GLY 51 H GLY 51 -8.481 -4.677 -15.534 356 HA2 GLY 51 HA2 GLY 51 -7.254 -3.592 -13.033 357 HA3 GLY 51 HA3 GLY 51 -6.806 -5.051 -13.939 358 H GLY 52 H GLY 52 -4.655 -4.214 -13.619 359 HA2 GLY 52 HA2 GLY 52 -2.711 -3.084 -14.065 360 HA3 GLY 52 HA3 GLY 52 -3.411 -3.181 -15.707 361 H ASP 53 H ASP 53 -4.469 -1.102 -12.969 362 HA ASP 53 HA ASP 53 -3.902 1.246 -14.579 363 HB2 ASP 53 HB2 ASP 53 -5.018 1.218 -11.857 364 HB3 ASP 53 HB3 ASP 53 -4.897 2.646 -12.854 365 HA PRO 54 HA PRO 54 0.220 1.100 -12.769 366 HB2 PRO 54 HB3 PRO 54 1.334 3.075 -13.861 367 HB3 PRO 54 HB2 PRO 54 0.365 1.889 -14.901 368 HG2 PRO 54 HG3 PRO 54 -0.659 4.458 -14.063 369 HG3 PRO 54 HG2 PRO 54 -0.609 3.924 -15.742 370 HD2 PRO 54 HD3 PRO 54 -2.859 3.381 -14.178 371 HD3 PRO 54 HD2 PRO 54 -2.315 2.331 -15.379 372 H PHE 55 H PHE 55 1.400 1.452 -11.175 373 HA PHE 55 HA PHE 55 0.554 3.597 -9.311 374 HB2 PHE 55 HB2 PHE 55 -0.113 0.666 -9.083 375 HB3 PHE 55 HB3 PHE 55 0.771 1.184 -7.738 376 HD1 PHE 55 HD1 PHE 55 -0.506 3.578 -6.718 377 HD2 PHE 55 HD2 PHE 55 -2.206 0.805 -9.549 378 HE1 PHE 55 HE1 PHE 55 -2.710 4.172 -5.986 379 HE2 PHE 55 HE2 PHE 55 -4.488 1.392 -8.795 380 HZ PHE 55 HZ PHE 55 -4.771 2.971 -6.895 381 H GLU 56 H GLU 56 1.453 4.073 -7.557 382 HA GLU 56 HA GLU 56 4.122 2.746 -7.113 383 HB2 GLU 56 HB2 GLU 56 3.845 5.786 -6.941 384 HB3 GLU 56 HB3 GLU 56 5.179 4.854 -6.321 385 HG2 GLU 56 HG2 GLU 56 6.148 4.333 -8.198 386 HG3 GLU 56 HG3 GLU 56 4.615 4.259 -9.153 387 H VAL 57 H VAL 57 4.517 2.442 -4.893 388 HA VAL 57 HA VAL 57 3.029 3.966 -2.857 389 HB VAL 57 HB VAL 57 3.961 1.081 -2.521 390 HG11 VAL 57 HG11 VAL 57 2.534 1.668 -0.234 391 HG12 VAL 57 HG12 VAL 57 4.095 2.369 -0.482 392 HG13 VAL 57 HG13 VAL 57 2.499 3.168 -0.811 393 HG21 VAL 57 HG21 VAL 57 1.157 2.276 -2.997 394 HG22 VAL 57 HG22 VAL 57 1.950 0.994 -3.975 395 HG23 VAL 57 HG23 VAL 57 1.381 0.663 -2.391 396 H ALA 58 H ALA 58 4.566 5.350 -2.618 397 HA ALA 58 HA ALA 58 7.399 4.575 -2.415 398 HB1 ALA 58 HB1 ALA 58 7.251 5.856 -4.277 399 HB2 ALA 58 HB2 ALA 58 6.079 6.983 -3.606 400 HB3 ALA 58 HB3 ALA 58 7.737 7.144 -3.072 401 H ILE 59 H ILE 59 8.722 5.128 -0.912 402 HA ILE 59 HA ILE 59 7.501 6.233 1.573 403 HB ILE 59 HB ILE 59 8.659 3.567 0.992 404 HG12 ILE 59 HG12 ILE 59 5.911 4.342 1.961 405 HG13 ILE 59 HG13 ILE 59 6.311 3.730 0.346 406 HG21 ILE 59 HG21 ILE 59 7.636 4.445 3.701 407 HG22 ILE 59 HG22 ILE 59 8.412 2.904 3.276 408 HG23 ILE 59 HG23 ILE 59 9.400 4.332 3.270 409 HD11 ILE 59 HD11 ILE 59 5.398 2.040 1.255 410 HD12 ILE 59 HD12 ILE 59 7.180 1.669 1.536 411 HD13 ILE 59 HD13 ILE 59 6.193 2.226 2.873 412 H ASN 60 H ASN 60 8.600 6.915 3.276 413 HA ASN 60 HA ASN 60 11.552 7.038 3.145 414 HB2 ASN 60 HB2 ASN 60 9.534 9.186 3.822 415 HB3 ASN 60 HB3 ASN 60 11.007 9.082 4.649 416 HD21 ASN 60 HD21 ASN 60 13.229 9.255 3.130 417 HD22 ASN 60 HD22 ASN 60 13.012 10.067 1.656 418 H GLY 61 H GLY 61 12.496 6.316 4.889 419 HA2 GLY 61 HA2 GLY 61 10.983 5.964 7.404 420 HA3 GLY 61 HA3 GLY 61 12.313 4.912 6.829 421 HA PRO 62 HA PRO 62 14.307 8.263 9.509 422 HB2 PRO 62 HB3 PRO 62 15.767 5.809 10.432 423 HB3 PRO 62 HB2 PRO 62 15.007 7.034 11.442 424 HG2 PRO 62 HG3 PRO 62 13.995 4.568 11.169 425 HG3 PRO 62 HG2 PRO 62 12.908 6.059 11.278 426 HD2 PRO 62 HD3 PRO 62 13.776 4.509 8.835 427 HD3 PRO 62 HD2 PRO 62 12.226 4.950 9.209 428 H ASP 63 H ASP 63 15.941 9.421 9.023 429 HA ASP 63 HA ASP 63 17.620 10.366 7.951 430 HB2 ASP 63 HB2 ASP 63 18.911 9.012 9.492 431 HB3 ASP 63 HB3 ASP 63 19.013 7.743 8.366 432 H GLY 64 H GLY 64 19.066 7.702 6.184 433 HA2 GLY 64 HA2 GLY 64 18.315 9.037 3.727 434 HA3 GLY 64 HA3 GLY 64 19.474 7.713 4.155 435 H LEU 65 H LEU 65 16.972 6.360 5.392 436 HA LEU 65 HA LEU 65 16.599 4.559 3.232 437 HB2 LEU 65 HB2 LEU 65 16.722 4.045 5.684 438 HB3 LEU 65 HB3 LEU 65 15.286 4.926 5.923 439 HG LEU 65 HG LEU 65 13.963 3.321 4.719 440 HD11 LEU 65 HD11 LEU 65 16.381 1.627 4.376 441 HD12 LEU 65 HD12 LEU 65 14.831 1.257 3.658 442 HD13 LEU 65 HD13 LEU 65 15.834 2.607 3.086 443 HD21 LEU 65 HD21 LEU 65 15.679 1.993 6.897 444 HD22 LEU 65 HD22 LEU 65 14.307 3.063 7.119 445 HD23 LEU 65 HD23 LEU 65 14.049 1.488 6.377 446 H VAL 66 H VAL 66 15.915 5.230 1.618 447 HA VAL 66 HA VAL 66 12.965 5.844 1.328 448 HB VAL 66 HB VAL 66 15.196 5.680 -0.709 449 HG11 VAL 66 HG11 VAL 66 12.625 7.221 -1.101 450 HG12 VAL 66 HG12 VAL 66 13.912 6.837 -2.280 451 HG13 VAL 66 HG13 VAL 66 12.859 5.554 -1.599 452 HG21 VAL 66 HG21 VAL 66 15.130 8.258 -0.734 453 HG22 VAL 66 HG22 VAL 66 14.177 8.162 0.743 454 HG23 VAL 66 HG23 VAL 66 15.846 7.290 0.577 455 H VAL 67 H VAL 67 11.461 4.503 0.480 456 HA VAL 67 HA VAL 67 12.362 1.878 -0.485 457 HB VAL 67 HB VAL 67 10.518 2.565 1.758 458 HG11 VAL 67 HG11 VAL 67 11.213 -0.280 0.868 459 HG12 VAL 67 HG12 VAL 67 10.489 0.084 2.387 460 HG13 VAL 67 HG13 VAL 67 9.659 0.467 0.813 461 HG21 VAL 67 HG21 VAL 67 13.050 0.967 2.193 462 HG22 VAL 67 HG22 VAL 67 13.023 2.622 2.277 463 HG23 VAL 67 HG23 VAL 67 11.938 1.845 3.329 464 H ASP 68 H ASP 68 11.000 0.725 -1.540 465 HA ASP 68 HA ASP 68 8.475 2.107 -2.221 466 HB2 ASP 68 HB2 ASP 68 8.421 1.575 -4.588 467 HB3 ASP 68 HB3 ASP 68 9.805 2.627 -4.058 468 H ALA 69 H ALA 69 6.849 0.971 -2.276 469 HA ALA 69 HA ALA 69 6.933 -1.788 -1.012 470 HB1 ALA 69 HB1 ALA 69 5.966 -0.484 0.573 471 HB2 ALA 69 HB2 ALA 69 5.106 0.512 -0.584 472 HB3 ALA 69 HB3 ALA 69 4.618 -1.240 -0.442 473 H LYS 70 H LYS 70 6.077 -3.420 -1.898 474 HA LYS 70 HA LYS 70 5.612 -3.027 -4.782 475 HB2 LYS 70 HB2 LYS 70 6.874 -5.201 -3.194 476 HB3 LYS 70 HB3 LYS 70 5.990 -5.687 -4.576 477 HG2 LYS 70 HG2 LYS 70 8.261 -5.515 -5.162 478 HG3 LYS 70 HG3 LYS 70 7.367 -4.355 -6.076 479 HD2 LYS 70 HD2 LYS 70 8.222 -2.579 -4.467 480 HD3 LYS 70 HD3 LYS 70 8.907 -3.868 -3.485 481 HE2 LYS 70 HE2 LYS 70 10.369 -4.558 -5.498 482 HE3 LYS 70 HE3 LYS 70 9.633 -3.231 -6.400 483 HZ1 LYS 70 HZ1 LYS 70 10.652 -1.698 -5.261 484 HZ2 LYS 70 HZ2 LYS 70 11.049 -2.542 -3.874 485 HZ3 LYS 70 HZ3 LYS 70 11.760 -2.909 -5.257 486 H VAL 71 H VAL 71 4.156 -3.314 -5.759 487 HA VAL 71 HA VAL 71 1.373 -3.738 -4.691 488 HB VAL 71 HB VAL 71 2.398 -2.291 -7.189 489 HG11 VAL 71 HG11 VAL 71 -0.204 -3.047 -7.008 490 HG12 VAL 71 HG12 VAL 71 -0.233 -2.160 -5.584 491 HG13 VAL 71 HG13 VAL 71 0.167 -1.265 -7.080 492 HG21 VAL 71 HG21 VAL 71 1.553 -1.069 -4.572 493 HG22 VAL 71 HG22 VAL 71 3.156 -1.074 -5.376 494 HG23 VAL 71 HG23 VAL 71 1.846 -0.230 -6.184 495 H THR 72 H THR 72 0.107 -5.214 -5.569 496 HA THR 72 HA THR 72 0.360 -5.894 -8.499 497 HB THR 72 HB THR 72 -0.239 -8.016 -6.323 498 HG1 THR 72 HG1 THR 72 1.979 -7.709 -6.010 499 HG21 THR 72 HG21 THR 72 -0.896 -8.785 -8.546 500 HG22 THR 72 HG22 THR 72 0.729 -8.287 -9.119 501 HG23 THR 72 HG23 THR 72 0.471 -9.642 -7.914 502 H ASP 73 H ASP 73 -1.270 -6.064 -9.494 503 HA ASP 73 HA ASP 73 -3.769 -5.293 -8.712 504 HB2 ASP 73 HB2 ASP 73 -2.936 -4.970 -11.010 505 HB3 ASP 73 HB3 ASP 73 -2.833 -6.639 -11.228 506 H ASN 74 H ASN 74 -5.397 -6.398 -7.819 507 HA ASN 74 HA ASN 74 -5.109 -9.246 -7.274 508 HB2 ASN 74 HB2 ASN 74 -6.927 -7.207 -6.140 509 HB3 ASN 74 HB3 ASN 74 -6.911 -8.919 -5.659 510 HD21 ASN 74 HD21 ASN 74 -6.697 -6.795 -4.029 511 HD22 ASN 74 HD22 ASN 74 -5.172 -6.851 -3.243 512 H ASN 75 H ASN 75 -6.619 -7.637 -9.827 513 HA ASN 75 HA ASN 75 -8.036 -8.191 -11.441 514 HB2 ASN 75 HB2 ASN 75 -6.674 -10.079 -11.642 515 HB3 ASN 75 HB3 ASN 75 -7.817 -10.983 -10.575 516 HD21 ASN 75 HD21 ASN 75 -7.835 -8.955 -13.473 517 HD22 ASN 75 HD22 ASN 75 -8.988 -9.843 -14.447 518 H ASP 76 H ASP 76 -9.000 -7.331 -8.997 519 HA ASP 76 HA ASP 76 -11.846 -8.028 -9.343 520 HB2 ASP 76 HB2 ASP 76 -12.307 -8.236 -6.889 521 HB3 ASP 76 HB3 ASP 76 -11.373 -9.479 -7.573 522 H GLY 77 H GLY 77 -9.708 -5.438 -8.923 523 HA2 GLY 77 HA2 GLY 77 -10.769 -3.223 -9.013 524 HA3 GLY 77 HA3 GLY 77 -11.849 -3.968 -7.770 525 H THR 78 H THR 78 -9.104 -5.229 -6.777 526 HA THR 78 HA THR 78 -8.117 -2.903 -5.315 527 HB THR 78 HB THR 78 -7.777 -4.353 -3.400 528 HG1 THR 78 HG1 THR 78 -8.921 -6.417 -4.946 529 HG21 THR 78 HG21 THR 78 -10.606 -5.076 -4.458 530 HG22 THR 78 HG22 THR 78 -9.978 -5.271 -2.807 531 HG23 THR 78 HG23 THR 78 -10.199 -3.641 -3.576 532 H TYR 79 H TYR 79 -5.904 -3.317 -4.275 533 HA TYR 79 HA TYR 79 -4.194 -4.985 -6.048 534 HB2 TYR 79 HB2 TYR 79 -3.718 -2.047 -5.359 535 HB3 TYR 79 HB3 TYR 79 -2.457 -3.142 -6.000 536 HD1 TYR 79 HD1 TYR 79 -2.232 -3.499 -8.318 537 HD2 TYR 79 HD2 TYR 79 -5.753 -1.499 -6.677 538 HE1 TYR 79 HE1 TYR 79 -3.036 -2.874 -10.574 539 HE2 TYR 79 HE2 TYR 79 -6.430 -0.925 -8.963 540 HH TYR 79 HH TYR 79 -6.162 -1.554 -11.227 541 H GLY 80 H GLY 80 -2.815 -6.185 -4.703 542 HA2 GLY 80 HA2 GLY 80 -2.627 -5.943 -1.880 543 HA3 GLY 80 HA3 GLY 80 -1.930 -7.181 -2.920 544 H VAL 81 H VAL 81 -0.922 -5.207 -0.856 545 HA VAL 81 HA VAL 81 1.599 -4.508 -2.185 546 HB VAL 81 HB VAL 81 0.238 -2.783 -0.098 547 HG11 VAL 81 HG11 VAL 81 2.740 -2.528 -0.165 548 HG12 VAL 81 HG12 VAL 81 2.667 -2.298 -1.948 549 HG13 VAL 81 HG13 VAL 81 1.913 -1.125 -0.903 550 HG21 VAL 81 HG21 VAL 81 -1.079 -2.611 -2.131 551 HG22 VAL 81 HG22 VAL 81 -0.156 -1.126 -1.853 552 HG23 VAL 81 HG23 VAL 81 0.443 -2.339 -3.020 553 H VAL 82 H VAL 82 3.103 -5.523 -1.325 554 HA VAL 82 HA VAL 82 3.281 -6.244 1.560 555 HB VAL 82 HB VAL 82 3.003 -7.878 0.126 556 HG11 VAL 82 HG11 VAL 82 4.378 -8.609 -1.729 557 HG12 VAL 82 HG12 VAL 82 3.937 -7.049 -2.118 558 HG13 VAL 82 HG13 VAL 82 5.548 -7.308 -1.352 559 HG21 VAL 82 HG21 VAL 82 5.938 -8.294 0.779 560 HG22 VAL 82 HG22 VAL 82 4.692 -8.462 1.937 561 HG23 VAL 82 HG23 VAL 82 4.795 -9.546 0.510 562 H TYR 83 H TYR 83 4.921 -5.616 2.808 563 HA TYR 83 HA TYR 83 7.340 -4.995 1.611 564 HB2 TYR 83 HB2 TYR 83 7.798 -2.715 1.887 565 HB3 TYR 83 HB3 TYR 83 6.338 -2.929 1.092 566 HD1 TYR 83 HD1 TYR 83 4.183 -3.260 2.918 567 HD2 TYR 83 HD2 TYR 83 7.815 -1.105 3.628 568 HE1 TYR 83 HE1 TYR 83 3.014 -1.722 4.486 569 HE2 TYR 83 HE2 TYR 83 6.500 0.695 4.897 570 HH TYR 83 HH TYR 83 3.092 0.267 5.560 571 H ASP 84 H ASP 84 9.067 -3.799 3.382 572 HA ASP 84 HA ASP 84 8.634 -5.010 5.953 573 HB2 ASP 84 HB2 ASP 84 10.608 -6.361 6.194 574 HB3 ASP 84 HB3 ASP 84 9.333 -6.828 5.119 575 H ALA 85 H ALA 85 9.939 -4.426 7.562 576 HA ALA 85 HA ALA 85 11.179 -1.740 7.103 577 HB1 ALA 85 HB1 ALA 85 9.906 -2.651 9.718 578 HB2 ALA 85 HB2 ALA 85 10.723 -1.147 9.407 579 HB3 ALA 85 HB3 ALA 85 9.213 -1.586 8.495 580 HA PRO 86 HA PRO 86 14.679 -3.776 9.002 581 HB2 PRO 86 HB3 PRO 86 16.703 -2.224 7.756 582 HB3 PRO 86 HB2 PRO 86 15.800 -3.367 6.738 583 HG2 PRO 86 HG3 PRO 86 15.393 -0.360 7.228 584 HG3 PRO 86 HG2 PRO 86 15.348 -1.325 5.695 585 HD2 PRO 86 HD3 PRO 86 13.020 -0.699 7.083 586 HD3 PRO 86 HD2 PRO 86 13.365 -2.104 6.038 587 H VAL 87 H VAL 87 13.177 -1.179 9.891 588 HA VAL 87 HA VAL 87 15.157 -0.472 11.969 589 HB VAL 87 HB VAL 87 14.111 1.671 11.888 590 HG11 VAL 87 HG11 VAL 87 15.266 0.856 9.260 591 HG12 VAL 87 HG12 VAL 87 14.955 2.530 9.828 592 HG13 VAL 87 HG13 VAL 87 16.036 1.602 10.672 593 HG21 VAL 87 HG21 VAL 87 12.687 2.466 10.207 594 HG22 VAL 87 HG22 VAL 87 12.609 0.945 9.348 595 HG23 VAL 87 HG23 VAL 87 11.755 1.167 10.947 596 H GLU 88 H GLU 88 14.750 -0.359 13.994 597 HA GLU 88 HA GLU 88 12.110 0.120 15.166 598 HB2 GLU 88 HB2 GLU 88 14.227 -0.395 16.522 599 HB3 GLU 88 HB3 GLU 88 14.807 1.211 16.228 600 HG2 GLU 88 HG2 GLU 88 12.601 2.089 17.225 601 HG3 GLU 88 HG3 GLU 88 12.090 0.456 17.478 602 H GLY 89 H GLY 89 10.748 1.848 14.291 603 HA2 GLY 89 HA2 GLY 89 11.493 4.469 14.616 604 HA3 GLY 89 HA3 GLY 89 11.966 4.044 13.057 605 H ASN 90 H ASN 90 10.495 5.242 11.971 606 HA ASN 90 HA ASN 90 7.860 4.043 11.655 607 HB2 ASN 90 HB2 ASN 90 8.147 7.094 11.535 608 HB3 ASN 90 HB3 ASN 90 6.779 6.032 11.457 609 HD21 ASN 90 HD21 ASN 90 9.436 7.198 13.579 610 HD22 ASN 90 HD22 ASN 90 8.611 7.316 15.002 611 H TYR 91 H TYR 91 6.914 4.076 9.801 612 HA TYR 91 HA TYR 91 8.541 4.773 7.434 613 HB2 TYR 91 HB2 TYR 91 6.625 2.504 7.848 614 HB3 TYR 91 HB3 TYR 91 6.546 3.216 6.321 615 HD1 TYR 91 HD1 TYR 91 9.533 4.049 5.844 616 HD2 TYR 91 HD2 TYR 91 7.583 0.486 7.236 617 HE1 TYR 91 HE1 TYR 91 11.497 2.843 5.263 618 HE2 TYR 91 HE2 TYR 91 9.372 -0.894 6.172 619 HH TYR 91 HH TYR 91 11.349 -0.835 5.240 620 H ASN 92 H ASN 92 7.534 5.799 5.677 621 HA ASN 92 HA ASN 92 5.101 7.349 6.351 622 HB2 ASN 92 HB2 ASN 92 7.151 8.538 7.176 623 HB3 ASN 92 HB3 ASN 92 7.934 8.488 5.646 624 HD21 ASN 92 HD21 ASN 92 5.237 10.143 7.339 625 HD22 ASN 92 HD22 ASN 92 4.822 11.086 5.928 626 H VAL 93 H VAL 93 3.854 7.298 4.952 627 HA VAL 93 HA VAL 93 4.453 5.746 2.485 628 HB VAL 93 HB VAL 93 2.025 5.605 4.042 629 HG11 VAL 93 HG11 VAL 93 1.630 3.524 2.650 630 HG12 VAL 93 HG12 VAL 93 1.704 4.915 1.657 631 HG13 VAL 93 HG13 VAL 93 3.100 3.927 1.727 632 HG21 VAL 93 HG21 VAL 93 2.934 3.548 5.077 633 HG22 VAL 93 HG22 VAL 93 4.405 3.610 3.950 634 HG23 VAL 93 HG23 VAL 93 3.947 4.886 5.202 635 H ASN 94 H ASN 94 4.045 6.526 0.649 636 HA ASN 94 HA ASN 94 1.998 8.623 0.256 637 HB2 ASN 94 HB2 ASN 94 4.398 9.685 0.201 638 HB3 ASN 94 HB3 ASN 94 4.872 8.588 -0.932 639 HD21 ASN 94 HD21 ASN 94 5.310 10.022 -2.646 640 HD22 ASN 94 HD22 ASN 94 4.039 10.645 -3.593 641 H VAL 95 H VAL 95 0.567 7.913 -1.248 642 HA VAL 95 HA VAL 95 1.418 5.841 -3.333 643 HB VAL 95 HB VAL 95 -1.115 6.528 -1.796 644 HG11 VAL 95 HG11 VAL 95 -1.835 5.770 -3.968 645 HG12 VAL 95 HG12 VAL 95 -0.812 4.296 -3.856 646 HG13 VAL 95 HG13 VAL 95 -2.160 4.449 -2.813 647 HG21 VAL 95 HG21 VAL 95 0.593 4.028 -1.574 648 HG22 VAL 95 HG22 VAL 95 0.230 5.302 -0.299 649 HG23 VAL 95 HG23 VAL 95 -0.983 4.243 -0.942 650 H THR 96 H THR 96 0.995 6.106 -5.441 651 HA THR 96 HA THR 96 -0.487 8.463 -6.200 652 HB THR 96 HB THR 96 1.328 9.355 -7.636 653 HG1 THR 96 HG1 THR 96 3.314 8.366 -7.554 654 HG21 THR 96 HG21 THR 96 1.658 10.004 -5.136 655 HG22 THR 96 HG22 THR 96 2.777 8.641 -5.003 656 HG23 THR 96 HG23 THR 96 3.011 9.918 -6.199 657 H LEU 97 H LEU 97 -1.097 8.548 -8.416 658 HA LEU 97 HA LEU 97 -1.647 6.002 -9.474 659 HB2 LEU 97 HB2 LEU 97 -3.318 8.611 -8.969 660 HB3 LEU 97 HB3 LEU 97 -3.776 7.316 -10.006 661 HG LEU 97 HG LEU 97 -3.957 5.711 -8.257 662 HD11 LEU 97 HD11 LEU 97 -2.808 7.871 -6.411 663 HD12 LEU 97 HD12 LEU 97 -3.820 6.571 -5.852 664 HD13 LEU 97 HD13 LEU 97 -2.280 6.234 -6.705 665 HD21 LEU 97 HD21 LEU 97 -5.258 8.336 -7.391 666 HD22 LEU 97 HD22 LEU 97 -5.816 7.407 -8.861 667 HD23 LEU 97 HD23 LEU 97 -6.062 6.824 -7.251 668 H ARG 98 H ARG 98 -0.587 5.790 -11.153 669 HA ARG 98 HA ARG 98 0.733 6.296 -13.124 670 HB2 ARG 98 HB2 ARG 98 -1.751 6.720 -13.814 671 HB3 ARG 98 HB3 ARG 98 -1.308 8.400 -13.780 672 HG2 ARG 98 HG2 ARG 98 0.571 7.865 -15.367 673 HG3 ARG 98 HG3 ARG 98 0.016 6.196 -15.437 674 HD2 ARG 98 HD2 ARG 98 -1.647 8.644 -16.119 675 HD3 ARG 98 HD3 ARG 98 -0.573 7.960 -17.250 676 HE ARG 98 HE ARG 98 -3.076 6.720 -16.199 677 HH11 ARG 98 HH11 ARG 98 -1.021 7.096 -18.895 678 HH12 ARG 98 HH12 ARG 98 -1.610 5.732 -19.813 679 HH21 ARG 98 HH21 ARG 98 -3.640 4.531 -17.224 680 HH22 ARG 98 HH22 ARG 98 -3.189 4.437 -18.907 681 H GLY 99 H GLY 99 1.313 7.437 -10.568 682 HA2 GLY 99 HA2 GLY 99 2.746 9.030 -9.628 683 HA3 GLY 99 HA3 GLY 99 2.790 9.437 -11.412 684 H ASN 100 H ASN 100 -0.284 9.818 -10.583 685 HA ASN 100 HA ASN 100 -0.134 12.618 -9.902 686 HB2 ASN 100 HB2 ASN 100 -2.494 10.680 -10.306 687 HB3 ASN 100 HB3 ASN 100 -2.708 12.282 -9.623 688 HD21 ASN 100 HD21 ASN 100 -0.080 12.505 -11.820 689 HD22 ASN 100 HD22 ASN 100 -1.014 13.079 -13.198 690 HA PRO 101 HA PRO 101 -0.504 11.100 -5.709 691 HB2 PRO 101 HB3 PRO 101 -0.003 13.330 -4.196 692 HB3 PRO 101 HB2 PRO 101 1.313 12.727 -5.143 693 HG2 PRO 101 HG3 PRO 101 -0.456 14.972 -5.952 694 HG3 PRO 101 HG2 PRO 101 1.307 14.829 -6.123 695 HD2 PRO 101 HD3 PRO 101 -0.355 14.202 -8.257 696 HD3 PRO 101 HD2 PRO 101 1.218 13.436 -7.971 697 H ILE 102 H ILE 102 -1.656 12.132 -3.526 698 HA ILE 102 HA ILE 102 -4.279 12.823 -4.392 699 HB ILE 102 HB ILE 102 -5.459 10.891 -3.538 700 HG12 ILE 102 HG12 ILE 102 -2.628 9.888 -3.111 701 HG13 ILE 102 HG13 ILE 102 -3.753 10.427 -1.887 702 HG21 ILE 102 HG21 ILE 102 -4.672 10.826 -6.036 703 HG22 ILE 102 HG22 ILE 102 -3.311 9.840 -5.493 704 HG23 ILE 102 HG23 ILE 102 -4.911 9.243 -5.261 705 HD11 ILE 102 HD11 ILE 102 -3.937 8.243 -1.551 706 HD12 ILE 102 HD12 ILE 102 -5.252 8.439 -2.657 707 HD13 ILE 102 HD13 ILE 102 -3.604 7.785 -3.235 708 H LYS 103 H LYS 103 -5.940 12.404 -2.308 709 HA LYS 103 HA LYS 103 -4.944 14.125 -0.254 710 HB2 LYS 103 HB2 LYS 103 -7.314 13.969 0.500 711 HB3 LYS 103 HB3 LYS 103 -7.289 14.363 -1.189 712 HG2 LYS 103 HG2 LYS 103 -7.773 12.075 -1.799 713 HG3 LYS 103 HG3 LYS 103 -7.670 11.532 -0.077 714 HD2 LYS 103 HD2 LYS 103 -10.068 11.787 -0.638 715 HD3 LYS 103 HD3 LYS 103 -9.470 12.865 0.600 716 HE2 LYS 103 HE2 LYS 103 -9.437 14.688 -0.948 717 HE3 LYS 103 HE3 LYS 103 -9.928 13.513 -2.265 718 HZ1 LYS 103 HZ1 LYS 103 -11.933 13.063 -0.846 719 HZ2 LYS 103 HZ2 LYS 103 -11.438 14.228 0.148 720 HZ3 LYS 103 HZ3 LYS 103 -11.909 14.675 -1.299 721 H ASN 104 H ASN 104 -5.603 13.528 1.869 722 HA ASN 104 HA ASN 104 -4.850 12.308 3.813 723 HB2 ASN 104 HB2 ASN 104 -6.517 10.160 2.312 724 HB3 ASN 104 HB3 ASN 104 -6.049 10.093 3.923 725 HD21 ASN 104 HD21 ASN 104 -6.458 11.618 5.443 726 HD22 ASN 104 HD22 ASN 104 -8.082 12.232 5.553 727 H MET 105 H MET 105 -2.842 12.527 1.544 728 HA MET 105 HA MET 105 -1.131 10.452 2.526 729 HB2 MET 105 HB2 MET 105 -1.853 11.142 -0.429 730 HB3 MET 105 HB3 MET 105 -0.293 10.447 0.033 731 HG2 MET 105 HG2 MET 105 -2.964 9.139 0.714 732 HG3 MET 105 HG3 MET 105 -1.943 8.761 -0.647 733 HE1 MET 105 HE1 MET 105 -2.836 6.964 2.250 734 HE2 MET 105 HE2 MET 105 -2.898 6.567 0.501 735 HE3 MET 105 HE3 MET 105 -1.863 5.673 1.521 736 HA PRO 106 HA PRO 106 1.259 10.225 2.228 737 HB2 PRO 106 HB3 PRO 106 3.421 10.843 3.872 738 HB3 PRO 106 HB2 PRO 106 3.424 11.160 2.090 739 HG2 PRO 106 HG3 PRO 106 2.737 13.085 4.262 740 HG3 PRO 106 HG2 PRO 106 3.896 13.290 2.945 741 HD2 PRO 106 HD3 PRO 106 1.318 14.247 2.808 742 HD3 PRO 106 HD2 PRO 106 2.003 13.479 1.405 743 H ILE 107 H ILE 107 1.737 8.854 4.249 744 HA ILE 107 HA ILE 107 0.610 9.899 6.631 745 HB ILE 107 HB ILE 107 -0.850 8.045 7.040 746 HG12 ILE 107 HG12 ILE 107 -0.124 7.035 4.281 747 HG13 ILE 107 HG13 ILE 107 0.361 6.220 5.833 748 HG21 ILE 107 HG21 ILE 107 -1.565 10.050 5.886 749 HG22 ILE 107 HG22 ILE 107 -1.574 9.098 4.337 750 HG23 ILE 107 HG23 ILE 107 -2.610 8.641 5.577 751 HD11 ILE 107 HD11 ILE 107 -2.029 6.123 6.536 752 HD12 ILE 107 HD12 ILE 107 -2.457 6.606 4.859 753 HD13 ILE 107 HD13 ILE 107 -1.595 5.091 5.176 754 H ASP 108 H ASP 108 0.901 8.057 8.623 755 HA ASP 108 HA ASP 108 3.753 7.055 8.396 756 HB2 ASP 108 HB2 ASP 108 2.281 8.502 10.642 757 HB3 ASP 108 HB3 ASP 108 3.973 8.051 10.685 758 H VAL 109 H VAL 109 4.305 5.278 9.159 759 HA VAL 109 HA VAL 109 2.523 3.711 10.875 760 HB VAL 109 HB VAL 109 4.059 2.615 8.485 761 HG11 VAL 109 HG11 VAL 109 2.420 0.721 8.586 762 HG12 VAL 109 HG12 VAL 109 3.411 0.846 10.049 763 HG13 VAL 109 HG13 VAL 109 1.638 1.436 9.959 764 HG21 VAL 109 HG21 VAL 109 2.633 4.042 7.339 765 HG22 VAL 109 HG22 VAL 109 2.040 2.430 7.310 766 HG23 VAL 109 HG23 VAL 109 1.299 3.604 8.473 767 H LYS 110 H LYS 110 3.174 2.275 12.316 768 HA LYS 110 HA LYS 110 5.870 2.796 13.212 769 HB2 LYS 110 HB2 LYS 110 3.815 2.548 14.704 770 HB3 LYS 110 HB3 LYS 110 3.793 0.932 14.410 771 HG2 LYS 110 HG2 LYS 110 4.915 1.083 16.452 772 HG3 LYS 110 HG3 LYS 110 6.161 0.734 15.308 773 HD2 LYS 110 HD2 LYS 110 7.140 2.595 16.601 774 HD3 LYS 110 HD3 LYS 110 6.768 3.255 15.089 775 HE2 LYS 110 HE2 LYS 110 4.489 4.002 16.222 776 HE3 LYS 110 HE3 LYS 110 5.264 3.579 17.674 777 HZ1 LYS 110 HZ1 LYS 110 5.794 5.788 17.320 778 HZ2 LYS 110 HZ2 LYS 110 7.191 5.111 17.018 779 HZ3 LYS 110 HZ3 LYS 110 6.232 5.569 15.779 780 H CYS 111 H CYS 111 7.536 1.565 13.513 781 HA CYS 111 HA CYS 111 7.861 -1.023 11.901 782 HB2 CYS 111 HB2 CYS 111 9.609 1.392 12.014 783 HB3 CYS 111 HB3 CYS 111 9.868 -0.190 11.163 784 HG CYS 111 HG CYS 111 9.416 1.754 9.629 785 H ILE 112 H ILE 112 8.838 -2.545 12.930 786 HA ILE 112 HA ILE 112 10.968 -1.820 14.683 787 HB ILE 112 HB ILE 112 9.137 -1.999 16.232 788 HG12 ILE 112 HG12 ILE 112 10.061 -3.705 17.850 789 HG13 ILE 112 HG13 ILE 112 11.226 -4.197 16.616 790 HG21 ILE 112 HG21 ILE 112 7.862 -3.761 15.120 791 HG22 ILE 112 HG22 ILE 112 9.041 -4.994 15.728 792 HG23 ILE 112 HG23 ILE 112 8.051 -4.006 16.816 793 HD11 ILE 112 HD11 ILE 112 12.244 -2.431 18.210 794 HD12 ILE 112 HD12 ILE 112 12.258 -1.989 16.497 795 HD13 ILE 112 HD13 ILE 112 11.030 -1.301 17.480 796 H GLU 113 H GLU 113 12.866 -3.433 14.525 797 HA GLU 113 HA GLU 113 12.461 -5.031 12.293 798 HB2 GLU 113 HB2 GLU 113 14.875 -4.900 12.162 799 HB3 GLU 113 HB3 GLU 113 14.048 -3.431 12.428 800 HG2 GLU 113 HG2 GLU 113 14.555 -3.551 14.893 801 HG3 GLU 113 HG3 GLU 113 15.559 -4.915 14.503 802 H GLY 114 H GLY 114 11.180 -6.157 14.478 803 HA2 GLY 114 HA2 GLY 114 12.156 -8.749 15.269 804 HA3 GLY 114 HA3 GLY 114 10.454 -8.316 14.869 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -18.464 -9.467 -7.164 2 H2 MET 1 H2 MET 1 -18.387 -10.642 -8.278 3 H3 MET 1 H3 MET 1 -17.032 -10.143 -7.581 4 HA MET 1 HA MET 1 -18.899 -8.595 -9.327 5 HB2 MET 1 HB2 MET 1 -17.903 -7.141 -7.614 6 HB3 MET 1 HB3 MET 1 -16.319 -7.749 -8.077 7 HG2 MET 1 HG2 MET 1 -18.305 -6.372 -9.962 8 HG3 MET 1 HG3 MET 1 -17.297 -5.388 -8.955 9 HE1 MET 1 HE1 MET 1 -13.772 -5.264 -9.971 10 HE2 MET 1 HE2 MET 1 -15.171 -4.169 -9.719 11 HE3 MET 1 HE3 MET 1 -15.020 -5.499 -8.605 12 H HIS 2 H HIS 2 -18.380 -8.242 -11.388 13 HA HIS 2 HA HIS 2 -16.637 -10.419 -12.542 14 HB2 HIS 2 HB2 HIS 2 -18.955 -10.346 -13.467 15 HB3 HIS 2 HB3 HIS 2 -18.663 -8.749 -14.047 16 HD1 HIS 2 HD1 HIS 2 -17.188 -12.380 -14.396 17 HD2 HIS 2 HD2 HIS 2 -17.883 -8.762 -16.380 18 HE1 HIS 2 HE1 HIS 2 -16.597 -12.811 -16.752 19 H HIS 3 H HIS 3 -14.516 -9.814 -12.463 20 HA HIS 3 HA HIS 3 -13.794 -7.171 -13.563 21 HB2 HIS 3 HB2 HIS 3 -13.061 -7.790 -11.421 22 HB3 HIS 3 HB3 HIS 3 -12.256 -9.281 -11.936 23 HD1 HIS 3 HD1 HIS 3 -11.617 -5.516 -11.365 24 HD2 HIS 3 HD2 HIS 3 -10.101 -8.822 -13.510 25 HE1 HIS 3 HE1 HIS 3 -9.084 -5.200 -11.694 26 H HIS 4 H HIS 4 -13.610 -7.457 -15.999 27 HA HIS 4 HA HIS 4 -11.816 -9.466 -16.976 28 HB2 HIS 4 HB2 HIS 4 -13.988 -10.638 -16.869 29 HB3 HIS 4 HB3 HIS 4 -14.775 -9.350 -17.845 30 HD1 HIS 4 HD1 HIS 4 -12.462 -12.390 -18.142 31 HD2 HIS 4 HD2 HIS 4 -14.223 -9.277 -20.412 32 HE1 HIS 4 HE1 HIS 4 -11.879 -12.855 -20.448 33 H HIS 5 H HIS 5 -10.870 -8.747 -18.830 34 HA HIS 5 HA HIS 5 -11.245 -5.987 -19.420 35 HB2 HIS 5 HB2 HIS 5 -9.466 -8.184 -20.585 36 HB3 HIS 5 HB3 HIS 5 -9.468 -6.598 -21.201 37 HD1 HIS 5 HD1 HIS 5 -8.667 -4.509 -19.639 38 HD2 HIS 5 HD2 HIS 5 -8.126 -8.417 -18.044 39 HE1 HIS 5 HE1 HIS 5 -7.257 -4.316 -17.528 40 H HIS 6 H HIS 6 -12.934 -5.184 -20.714 41 HA HIS 6 HA HIS 6 -14.017 -6.883 -22.902 42 HB2 HIS 6 HB2 HIS 6 -15.254 -4.726 -21.268 43 HB3 HIS 6 HB3 HIS 6 -16.060 -5.519 -22.604 44 HD1 HIS 6 HD1 HIS 6 -14.864 -6.604 -19.014 45 HD2 HIS 6 HD2 HIS 6 -17.853 -6.863 -21.938 46 HE1 HIS 6 HE1 HIS 6 -16.504 -8.194 -18.082 47 H HIS 7 H HIS 7 -13.084 -3.497 -22.024 48 HA HIS 7 HA HIS 7 -14.012 -2.534 -24.578 49 HB2 HIS 7 HB2 HIS 7 -12.786 -1.074 -22.241 50 HB3 HIS 7 HB3 HIS 7 -13.595 -0.388 -23.629 51 HD1 HIS 7 HD1 HIS 7 -14.594 -1.556 -20.258 52 HD2 HIS 7 HD2 HIS 7 -16.343 -1.110 -23.993 53 HE1 HIS 7 HE1 HIS 7 -17.064 -1.747 -19.867 54 H ALA 8 H ALA 8 -12.666 -0.979 -25.933 55 HA ALA 8 HA ALA 8 -10.157 -1.735 -26.541 56 HB1 ALA 8 HB1 ALA 8 -9.996 0.346 -27.570 57 HB2 ALA 8 HB2 ALA 8 -11.663 -0.384 -28.003 58 HB3 ALA 8 HB3 ALA 8 -11.451 1.005 -26.958 59 H SER 9 H SER 9 -11.211 0.831 -24.232 60 HA SER 9 HA SER 9 -8.461 1.073 -23.198 61 HB2 SER 9 HB2 SER 9 -10.195 3.526 -23.806 62 HB3 SER 9 HB3 SER 9 -8.698 3.530 -22.887 63 HG SER 9 HG SER 9 -7.623 2.633 -24.727 64 H LYS 10 H LYS 10 -8.227 1.831 -20.983 65 HA LYS 10 HA LYS 10 -10.577 1.135 -19.407 66 HB2 LYS 10 HB2 LYS 10 -7.634 1.616 -18.761 67 HB3 LYS 10 HB3 LYS 10 -8.614 1.052 -17.573 68 HG2 LYS 10 HG2 LYS 10 -8.954 -1.169 -19.068 69 HG3 LYS 10 HG3 LYS 10 -7.780 -0.538 -20.092 70 HD2 LYS 10 HD2 LYS 10 -7.430 -1.324 -17.181 71 HD3 LYS 10 HD3 LYS 10 -6.657 -1.997 -18.662 72 HE2 LYS 10 HE2 LYS 10 -5.523 0.349 -18.870 73 HE3 LYS 10 HE3 LYS 10 -6.283 0.589 -17.277 74 HZ1 LYS 10 HZ1 LYS 10 -3.921 -0.312 -17.419 75 HZ2 LYS 10 HZ2 LYS 10 -4.840 -1.168 -16.440 76 HZ3 LYS 10 HZ3 LYS 10 -4.601 -1.749 -17.926 77 HA PRO 11 HA PRO 11 -10.605 5.371 -17.643 78 HB2 PRO 11 HB3 PRO 11 -12.160 5.259 -15.762 79 HB3 PRO 11 HB2 PRO 11 -12.810 4.887 -17.423 80 HG2 PRO 11 HG3 PRO 11 -11.942 2.799 -15.387 81 HG3 PRO 11 HG2 PRO 11 -13.629 2.992 -16.139 82 HD2 PRO 11 HD3 PRO 11 -11.574 1.421 -17.133 83 HD3 PRO 11 HD2 PRO 11 -12.649 2.327 -18.189 84 H ALA 12 H ALA 12 -10.201 6.495 -15.650 85 HA ALA 12 HA ALA 12 -7.862 5.148 -14.488 86 HB1 ALA 12 HB1 ALA 12 -7.241 7.658 -13.951 87 HB2 ALA 12 HB2 ALA 12 -7.076 7.000 -15.618 88 HB3 ALA 12 HB3 ALA 12 -8.278 8.066 -15.251 89 HA PRO 13 HA PRO 13 -9.506 5.414 -10.446 90 HB2 PRO 13 HB3 PRO 13 -6.608 5.121 -9.549 91 HB3 PRO 13 HB2 PRO 13 -8.019 4.181 -9.021 92 HG2 PRO 13 HG3 PRO 13 -6.190 3.219 -10.811 93 HG3 PRO 13 HG2 PRO 13 -7.951 2.803 -10.868 94 HD2 PRO 13 HD3 PRO 13 -6.474 4.806 -12.578 95 HD3 PRO 13 HD2 PRO 13 -7.770 3.633 -13.033 96 H SER 14 H SER 14 -9.733 6.961 -9.060 97 HA SER 14 HA SER 14 -8.367 9.456 -9.600 98 HB2 SER 14 HB2 SER 14 -11.307 9.182 -9.017 99 HB3 SER 14 HB3 SER 14 -10.332 10.604 -9.430 100 HG SER 14 HG SER 14 -11.243 8.518 -10.859 101 H ALA 15 H ALA 15 -8.722 11.215 -7.786 102 HA ALA 15 HA ALA 15 -7.414 10.226 -5.543 103 HB1 ALA 15 HB1 ALA 15 -7.318 12.509 -4.768 104 HB2 ALA 15 HB2 ALA 15 -6.973 12.482 -6.464 105 HB3 ALA 15 HB3 ALA 15 -8.598 13.008 -5.834 106 H GLU 16 H GLU 16 -10.682 11.390 -5.730 107 HA GLU 16 HA GLU 16 -11.617 10.849 -3.096 108 HB2 GLU 16 HB2 GLU 16 -13.050 11.111 -5.696 109 HB3 GLU 16 HB3 GLU 16 -13.792 10.948 -4.092 110 HG2 GLU 16 HG2 GLU 16 -13.828 13.192 -4.271 111 HG3 GLU 16 HG3 GLU 16 -12.315 12.879 -3.411 112 H HIS 17 H HIS 17 -10.914 8.707 -5.658 113 HA HIS 17 HA HIS 17 -12.581 6.521 -4.608 114 HB2 HIS 17 HB2 HIS 17 -11.622 7.525 -7.338 115 HB3 HIS 17 HB3 HIS 17 -12.645 6.085 -7.185 116 HD1 HIS 17 HD1 HIS 17 -15.244 6.833 -5.658 117 HD2 HIS 17 HD2 HIS 17 -12.930 9.697 -7.806 118 HE1 HIS 17 HE1 HIS 17 -16.620 8.803 -5.856 119 H SER 18 H SER 18 -9.568 7.076 -4.160 120 HA SER 18 HA SER 18 -9.202 4.223 -4.092 121 HB2 SER 18 HB2 SER 18 -8.057 5.218 -6.139 122 HB3 SER 18 HB3 SER 18 -7.020 6.258 -5.129 123 HG SER 18 HG SER 18 -6.053 4.312 -4.347 124 H TYR 19 H TYR 19 -8.433 3.415 -2.477 125 HA TYR 19 HA TYR 19 -7.316 4.810 -0.383 126 HB2 TYR 19 HB2 TYR 19 -10.244 4.183 -0.199 127 HB3 TYR 19 HB3 TYR 19 -9.383 4.191 1.318 128 HD1 TYR 19 HD1 TYR 19 -11.325 5.973 -0.898 129 HD2 TYR 19 HD2 TYR 19 -7.785 6.610 1.407 130 HE1 TYR 19 HE1 TYR 19 -11.678 8.299 -1.080 131 HE2 TYR 19 HE2 TYR 19 -8.143 9.042 1.387 132 HH TYR 19 HH TYR 19 -9.429 10.770 0.416 133 H ALA 20 H ALA 20 -6.753 3.358 1.434 134 HA ALA 20 HA ALA 20 -6.864 0.511 0.647 135 HB1 ALA 20 HB1 ALA 20 -4.428 2.028 1.638 136 HB2 ALA 20 HB2 ALA 20 -4.599 0.270 1.029 137 HB3 ALA 20 HB3 ALA 20 -4.744 1.650 -0.045 138 H GLU 21 H GLU 21 -6.246 -1.027 2.457 139 HA GLU 21 HA GLU 21 -6.493 -0.141 5.185 140 HB2 GLU 21 HB2 GLU 21 -8.786 -0.430 4.508 141 HB3 GLU 21 HB3 GLU 21 -8.391 -1.925 3.623 142 HG2 GLU 21 HG2 GLU 21 -7.854 -2.983 5.798 143 HG3 GLU 21 HG3 GLU 21 -8.354 -1.438 6.655 144 H GLY 22 H GLY 22 -5.006 -1.013 6.452 145 HA2 GLY 22 HA2 GLY 22 -5.406 -3.370 7.484 146 HA3 GLY 22 HA3 GLY 22 -4.563 -3.948 5.946 147 H GLU 23 H GLU 23 -3.336 -5.143 7.314 148 HA GLU 23 HA GLU 23 -1.864 -4.019 9.369 149 HB2 GLU 23 HB2 GLU 23 -1.030 -6.412 7.745 150 HB3 GLU 23 HB3 GLU 23 -0.480 -5.874 9.372 151 HG2 GLU 23 HG2 GLU 23 -2.593 -6.405 10.309 152 HG3 GLU 23 HG3 GLU 23 -3.389 -6.701 8.738 153 H GLY 24 H GLY 24 -0.438 -4.286 6.152 154 HA2 GLY 24 HA2 GLY 24 1.802 -2.757 6.716 155 HA3 GLY 24 HA3 GLY 24 1.129 -3.074 5.136 156 H LEU 25 H LEU 25 -1.268 -1.504 7.153 157 HA LEU 25 HA LEU 25 0.031 1.056 7.133 158 HB2 LEU 25 HB2 LEU 25 -2.910 0.570 6.838 159 HB3 LEU 25 HB3 LEU 25 -2.165 2.163 7.025 160 HG LEU 25 HG LEU 25 -1.758 0.165 4.816 161 HD11 LEU 25 HD11 LEU 25 -4.026 0.847 4.810 162 HD12 LEU 25 HD12 LEU 25 -3.652 2.561 4.869 163 HD13 LEU 25 HD13 LEU 25 -3.180 1.610 3.442 164 HD21 LEU 25 HD21 LEU 25 0.018 1.283 4.210 165 HD22 LEU 25 HD22 LEU 25 -1.065 2.708 3.842 166 HD23 LEU 25 HD23 LEU 25 -0.290 2.600 5.343 167 H VAL 26 H VAL 26 -0.418 -1.344 9.160 168 HA VAL 26 HA VAL 26 -0.837 0.539 11.446 169 HB VAL 26 HB VAL 26 -1.489 -2.480 11.106 170 HG11 VAL 26 HG11 VAL 26 -0.833 -2.030 13.493 171 HG12 VAL 26 HG12 VAL 26 -2.226 -0.965 13.625 172 HG13 VAL 26 HG13 VAL 26 -2.303 -2.773 13.323 173 HG21 VAL 26 HG21 VAL 26 -3.881 -1.720 11.421 174 HG22 VAL 26 HG22 VAL 26 -3.451 -0.188 11.469 175 HG23 VAL 26 HG23 VAL 26 -3.083 -1.096 9.941 176 H LYS 27 H LYS 27 1.121 -2.241 10.441 177 HA LYS 27 HA LYS 27 3.251 -1.374 11.885 178 HB2 LYS 27 HB2 LYS 27 2.090 -2.240 13.960 179 HB3 LYS 27 HB3 LYS 27 2.212 -3.841 13.254 180 HG2 LYS 27 HG2 LYS 27 4.540 -3.816 13.365 181 HG3 LYS 27 HG3 LYS 27 4.687 -2.080 13.603 182 HD2 LYS 27 HD2 LYS 27 3.414 -3.930 15.656 183 HD3 LYS 27 HD3 LYS 27 5.142 -3.642 15.611 184 HE2 LYS 27 HE2 LYS 27 4.293 -1.054 15.597 185 HE3 LYS 27 HE3 LYS 27 2.753 -1.915 16.000 186 HZ1 LYS 27 HZ1 LYS 27 3.837 -2.878 17.838 187 HZ2 LYS 27 HZ2 LYS 27 5.296 -2.010 17.544 188 HZ3 LYS 27 HZ3 LYS 27 3.904 -1.278 17.990 189 H VAL 28 H VAL 28 5.162 -2.141 11.328 190 HA VAL 28 HA VAL 28 4.979 -4.443 9.531 191 HB VAL 28 HB VAL 28 6.181 -1.843 8.752 192 HG11 VAL 28 HG11 VAL 28 6.547 -2.809 6.488 193 HG12 VAL 28 HG12 VAL 28 7.338 -3.908 7.542 194 HG13 VAL 28 HG13 VAL 28 5.794 -4.338 6.920 195 HG21 VAL 28 HG21 VAL 28 4.233 -2.315 6.871 196 HG22 VAL 28 HG22 VAL 28 3.448 -3.081 8.197 197 HG23 VAL 28 HG23 VAL 28 3.988 -1.386 8.284 198 H PHE 29 H PHE 29 6.681 -5.684 9.737 199 HA PHE 29 HA PHE 29 8.824 -5.153 11.603 200 HB2 PHE 29 HB2 PHE 29 7.842 -7.741 10.623 201 HB3 PHE 29 HB3 PHE 29 8.715 -7.263 12.137 202 HD1 PHE 29 HD1 PHE 29 7.448 -6.535 14.205 203 HD2 PHE 29 HD2 PHE 29 5.432 -6.997 10.407 204 HE1 PHE 29 HE1 PHE 29 5.282 -6.171 15.291 205 HE2 PHE 29 HE2 PHE 29 3.354 -6.669 11.465 206 HZ PHE 29 HZ PHE 29 3.230 -6.207 13.977 207 H ASP 30 H ASP 30 10.795 -7.040 11.307 208 HA ASP 30 HA ASP 30 12.123 -6.372 8.834 209 HB2 ASP 30 HB2 ASP 30 13.146 -6.319 11.117 210 HB3 ASP 30 HB3 ASP 30 13.080 -8.126 11.124 211 H ASN 31 H ASN 31 11.123 -9.384 10.521 212 HA ASN 31 HA ASN 31 11.392 -11.004 8.028 213 HB2 ASN 31 HB2 ASN 31 11.448 -11.811 10.933 214 HB3 ASN 31 HB3 ASN 31 11.790 -12.852 9.502 215 HD21 ASN 31 HD21 ASN 31 13.145 -10.246 11.460 216 HD22 ASN 31 HD22 ASN 31 14.795 -10.445 10.837 217 H ALA 32 H ALA 32 8.992 -9.478 9.668 218 HA ALA 32 HA ALA 32 7.105 -11.398 8.400 219 HB1 ALA 32 HB1 ALA 32 6.821 -11.386 10.740 220 HB2 ALA 32 HB2 ALA 32 6.314 -9.647 10.725 221 HB3 ALA 32 HB3 ALA 32 5.344 -10.808 9.893 222 HA PRO 33 HA PRO 33 7.118 -7.533 5.751 223 HB2 PRO 33 HB3 PRO 33 6.737 -8.760 3.486 224 HB3 PRO 33 HB2 PRO 33 8.377 -8.515 4.250 225 HG2 PRO 33 HG3 PRO 33 6.574 -10.952 4.349 226 HG3 PRO 33 HG2 PRO 33 8.325 -11.007 3.798 227 HD2 PRO 33 HD3 PRO 33 7.223 -11.467 6.380 228 HD3 PRO 33 HD2 PRO 33 8.906 -10.766 6.085 229 H ALA 34 H ALA 34 5.370 -6.531 5.766 230 HA ALA 34 HA ALA 34 2.814 -7.907 6.412 231 HB1 ALA 34 HB1 ALA 34 3.683 -6.208 8.007 232 HB2 ALA 34 HB2 ALA 34 3.673 -4.987 6.746 233 HB3 ALA 34 HB3 ALA 34 2.145 -5.656 7.256 234 H GLU 35 H GLU 35 1.084 -7.261 5.572 235 HA GLU 35 HA GLU 35 1.358 -6.016 2.895 236 HB2 GLU 35 HB2 GLU 35 -0.453 -8.362 3.628 237 HB3 GLU 35 HB3 GLU 35 -0.633 -7.348 2.194 238 HG2 GLU 35 HG2 GLU 35 1.567 -7.953 1.294 239 HG3 GLU 35 HG3 GLU 35 1.809 -8.978 2.729 240 H PHE 36 H PHE 36 -0.722 -5.196 1.962 241 HA PHE 36 HA PHE 36 -3.028 -4.922 3.322 242 HB2 PHE 36 HB2 PHE 36 -3.133 -2.537 3.950 243 HB3 PHE 36 HB3 PHE 36 -1.630 -3.085 4.563 244 HD1 PHE 36 HD1 PHE 36 -3.147 -0.676 2.505 245 HD2 PHE 36 HD2 PHE 36 0.539 -2.745 3.175 246 HE1 PHE 36 HE1 PHE 36 -1.981 1.164 1.436 247 HE2 PHE 36 HE2 PHE 36 1.790 -0.891 2.092 248 HZ PHE 36 HZ PHE 36 0.466 1.061 1.185 249 H THR 37 H THR 37 -4.349 -3.269 2.195 250 HA THR 37 HA THR 37 -4.214 -4.094 -0.685 251 HB THR 37 HB THR 37 -6.592 -4.461 1.073 252 HG1 THR 37 HG1 THR 37 -5.159 -6.016 1.322 253 HG21 THR 37 HG21 THR 37 -7.623 -5.492 -0.835 254 HG22 THR 37 HG22 THR 37 -7.331 -3.821 -1.165 255 HG23 THR 37 HG23 THR 37 -6.302 -5.153 -1.925 256 H ILE 38 H ILE 38 -4.612 -2.571 -2.181 257 HA ILE 38 HA ILE 38 -5.767 0.013 -1.525 258 HB ILE 38 HB ILE 38 -4.681 -0.657 -4.237 259 HG12 ILE 38 HG12 ILE 38 -3.144 0.434 -1.829 260 HG13 ILE 38 HG13 ILE 38 -2.890 -1.111 -2.701 261 HG21 ILE 38 HG21 ILE 38 -6.361 1.199 -3.753 262 HG22 ILE 38 HG22 ILE 38 -5.006 2.015 -2.944 263 HG23 ILE 38 HG23 ILE 38 -4.860 1.586 -4.599 264 HD11 ILE 38 HD11 ILE 38 -1.360 0.642 -3.426 265 HD12 ILE 38 HD12 ILE 38 -2.438 0.165 -4.768 266 HD13 ILE 38 HD13 ILE 38 -2.618 1.722 -3.890 267 H PHE 39 H PHE 39 -7.923 -0.073 -1.593 268 HA PHE 39 HA PHE 39 -9.467 -1.593 -3.493 269 HB2 PHE 39 HB2 PHE 39 -11.528 -0.410 -2.629 270 HB3 PHE 39 HB3 PHE 39 -10.775 -1.641 -1.727 271 HD1 PHE 39 HD1 PHE 39 -12.186 1.626 -1.614 272 HD2 PHE 39 HD2 PHE 39 -9.222 -0.871 0.219 273 HE1 PHE 39 HE1 PHE 39 -12.326 3.025 0.435 274 HE2 PHE 39 HE2 PHE 39 -9.372 0.497 2.296 275 HZ PHE 39 HZ PHE 39 -10.833 2.435 2.337 276 H ALA 40 H ALA 40 -10.477 -0.716 -5.532 277 HA ALA 40 HA ALA 40 -9.812 2.133 -6.032 278 HB1 ALA 40 HB1 ALA 40 -8.768 -0.325 -7.358 279 HB2 ALA 40 HB2 ALA 40 -9.098 1.014 -8.346 280 HB3 ALA 40 HB3 ALA 40 -7.976 1.216 -6.857 281 H VAL 41 H VAL 41 -11.093 3.300 -7.008 282 HA VAL 41 HA VAL 41 -13.197 2.118 -8.790 283 HB VAL 41 HB VAL 41 -13.564 4.113 -6.595 284 HG11 VAL 41 HG11 VAL 41 -15.483 3.805 -8.896 285 HG12 VAL 41 HG12 VAL 41 -15.913 4.525 -7.345 286 HG13 VAL 41 HG13 VAL 41 -14.652 5.298 -8.338 287 HG21 VAL 41 HG21 VAL 41 -14.122 1.713 -6.008 288 HG22 VAL 41 HG22 VAL 41 -15.503 2.825 -5.965 289 HG23 VAL 41 HG23 VAL 41 -15.394 1.743 -7.266 290 H ASP 42 H ASP 42 -13.623 3.438 -10.521 291 HA ASP 42 HA ASP 42 -11.509 5.147 -11.400 292 HB2 ASP 42 HB2 ASP 42 -13.071 5.560 -13.300 293 HB3 ASP 42 HB3 ASP 42 -12.365 3.941 -12.985 294 H THR 43 H THR 43 -14.989 5.721 -11.088 295 HA THR 43 HA THR 43 -15.116 8.001 -9.559 296 HB THR 43 HB THR 43 -16.084 9.497 -11.169 297 HG1 THR 43 HG1 THR 43 -15.327 7.793 -13.314 298 HG21 THR 43 HG21 THR 43 -14.449 10.517 -12.164 299 HG22 THR 43 HG22 THR 43 -13.577 9.578 -10.905 300 HG23 THR 43 HG23 THR 43 -13.475 9.080 -12.610 301 H LYS 44 H LYS 44 -16.510 5.348 -11.003 302 HA LYS 44 HA LYS 44 -19.360 6.313 -10.761 303 HB2 LYS 44 HB2 LYS 44 -17.992 4.364 -12.621 304 HB3 LYS 44 HB3 LYS 44 -19.772 4.624 -12.368 305 HG2 LYS 44 HG2 LYS 44 -19.743 6.798 -13.162 306 HG3 LYS 44 HG3 LYS 44 -17.973 6.759 -13.288 307 HD2 LYS 44 HD2 LYS 44 -18.982 6.377 -15.486 308 HD3 LYS 44 HD3 LYS 44 -18.157 5.019 -15.065 309 HE2 LYS 44 HE2 LYS 44 -19.987 4.050 -15.910 310 HE3 LYS 44 HE3 LYS 44 -20.196 3.880 -14.244 311 HZ1 LYS 44 HZ1 LYS 44 -22.253 4.879 -15.461 312 HZ2 LYS 44 HZ2 LYS 44 -21.683 5.868 -14.219 313 HZ3 LYS 44 HZ3 LYS 44 -21.400 6.104 -15.816 314 H GLY 45 H GLY 45 -17.914 5.193 -8.477 315 HA2 GLY 45 HA2 GLY 45 -18.640 4.099 -6.641 316 HA3 GLY 45 HA3 GLY 45 -20.076 3.739 -7.675 317 H VAL 46 H VAL 46 -19.310 2.007 -9.209 318 HA VAL 46 HA VAL 46 -18.824 -0.582 -7.873 319 HB VAL 46 HB VAL 46 -18.905 0.150 -10.745 320 HG11 VAL 46 HG11 VAL 46 -18.682 -2.519 -9.236 321 HG12 VAL 46 HG12 VAL 46 -19.052 -2.379 -11.021 322 HG13 VAL 46 HG13 VAL 46 -17.507 -2.018 -10.553 323 HG21 VAL 46 HG21 VAL 46 -20.852 -1.355 -9.154 324 HG22 VAL 46 HG22 VAL 46 -21.007 0.326 -9.611 325 HG23 VAL 46 HG23 VAL 46 -20.907 -1.047 -10.836 326 H ALA 47 H ALA 47 -16.815 -1.487 -7.607 327 HA ALA 47 HA ALA 47 -14.231 -0.082 -7.898 328 HB1 ALA 47 HB1 ALA 47 -14.837 -1.895 -6.330 329 HB2 ALA 47 HB2 ALA 47 -14.776 -3.129 -7.645 330 HB3 ALA 47 HB3 ALA 47 -13.373 -2.167 -7.119 331 H ARG 48 H ARG 48 -12.401 -0.629 -9.042 332 HA ARG 48 HA ARG 48 -12.675 -0.262 -11.780 333 HB2 ARG 48 HB2 ARG 48 -10.516 -1.338 -10.116 334 HB3 ARG 48 HB3 ARG 48 -10.355 -1.109 -11.859 335 HG2 ARG 48 HG2 ARG 48 -11.166 1.055 -9.963 336 HG3 ARG 48 HG3 ARG 48 -9.437 0.706 -10.479 337 HD2 ARG 48 HD2 ARG 48 -11.666 1.604 -12.283 338 HD3 ARG 48 HD3 ARG 48 -10.305 2.568 -11.864 339 HE ARG 48 HE ARG 48 -8.793 0.991 -12.893 340 HH11 ARG 48 HH11 ARG 48 -12.175 0.244 -14.223 341 HH12 ARG 48 HH12 ARG 48 -11.387 -0.436 -15.574 342 HH21 ARG 48 HH21 ARG 48 -8.165 0.121 -14.816 343 HH22 ARG 48 HH22 ARG 48 -9.328 -0.851 -15.675 344 H THR 49 H THR 49 -13.719 -1.738 -13.096 345 HA THR 49 HA THR 49 -14.180 -4.448 -12.626 346 HB THR 49 HB THR 49 -15.508 -4.065 -14.953 347 HG1 THR 49 HG1 THR 49 -15.328 -2.140 -15.638 348 HG21 THR 49 HG21 THR 49 -17.201 -2.815 -13.625 349 HG22 THR 49 HG22 THR 49 -16.711 -4.306 -12.930 350 HG23 THR 49 HG23 THR 49 -16.040 -2.702 -12.301 351 H ASP 50 H ASP 50 -11.578 -3.120 -13.822 352 HA ASP 50 HA ASP 50 -10.556 -5.629 -14.877 353 HB2 ASP 50 HB2 ASP 50 -9.845 -4.657 -17.030 354 HB3 ASP 50 HB3 ASP 50 -11.609 -4.952 -16.824 355 H GLY 51 H GLY 51 -8.123 -5.119 -15.554 356 HA2 GLY 51 HA2 GLY 51 -7.327 -3.867 -13.034 357 HA3 GLY 51 HA3 GLY 51 -6.896 -5.428 -13.756 358 H GLY 52 H GLY 52 -4.602 -4.670 -13.391 359 HA2 GLY 52 HA2 GLY 52 -2.597 -3.896 -14.043 360 HA3 GLY 52 HA3 GLY 52 -3.531 -3.932 -15.609 361 H ASP 53 H ASP 53 -4.280 -1.602 -13.078 362 HA ASP 53 HA ASP 53 -3.203 0.582 -14.610 363 HB2 ASP 53 HB2 ASP 53 -4.637 0.510 -12.026 364 HB3 ASP 53 HB3 ASP 53 -4.396 2.102 -12.812 365 HA PRO 54 HA PRO 54 0.316 0.831 -12.109 366 HB2 PRO 54 HB3 PRO 54 1.626 2.796 -13.151 367 HB3 PRO 54 HB2 PRO 54 1.084 1.518 -14.247 368 HG2 PRO 54 HG3 PRO 54 -0.470 4.181 -13.761 369 HG3 PRO 54 HG2 PRO 54 0.012 3.436 -15.298 370 HD2 PRO 54 HD3 PRO 54 -2.467 3.123 -14.047 371 HD3 PRO 54 HD2 PRO 54 -1.714 2.048 -15.174 372 H PHE 55 H PHE 55 1.135 1.381 -10.266 373 HA PHE 55 HA PHE 55 0.282 3.777 -8.987 374 HB2 PHE 55 HB2 PHE 55 -0.135 0.918 -8.054 375 HB3 PHE 55 HB3 PHE 55 -0.144 2.236 -6.925 376 HD1 PHE 55 HD1 PHE 55 -2.072 3.644 -6.346 377 HD2 PHE 55 HD2 PHE 55 -2.178 0.560 -9.326 378 HE1 PHE 55 HE1 PHE 55 -4.503 4.030 -6.642 379 HE2 PHE 55 HE2 PHE 55 -4.543 0.905 -9.613 380 HZ PHE 55 HZ PHE 55 -5.765 2.621 -8.246 381 H GLU 56 H GLU 56 1.433 4.295 -7.178 382 HA GLU 56 HA GLU 56 3.815 2.764 -6.537 383 HB2 GLU 56 HB2 GLU 56 4.397 4.637 -8.256 384 HB3 GLU 56 HB3 GLU 56 3.743 5.714 -6.946 385 HG2 GLU 56 HG2 GLU 56 5.654 4.996 -5.469 386 HG3 GLU 56 HG3 GLU 56 6.214 3.909 -6.695 387 H VAL 57 H VAL 57 4.542 2.866 -4.681 388 HA VAL 57 HA VAL 57 3.196 4.333 -2.486 389 HB VAL 57 HB VAL 57 3.750 1.340 -2.333 390 HG11 VAL 57 HG11 VAL 57 3.936 2.529 -0.241 391 HG12 VAL 57 HG12 VAL 57 2.241 3.073 -0.349 392 HG13 VAL 57 HG13 VAL 57 2.671 1.338 -0.249 393 HG21 VAL 57 HG21 VAL 57 1.214 2.806 -3.054 394 HG22 VAL 57 HG22 VAL 57 2.089 1.559 -3.885 395 HG23 VAL 57 HG23 VAL 57 1.278 1.110 -2.326 396 H ALA 58 H ALA 58 4.910 5.656 -2.460 397 HA ALA 58 HA ALA 58 7.753 4.611 -2.159 398 HB1 ALA 58 HB1 ALA 58 6.815 7.334 -3.008 399 HB2 ALA 58 HB2 ALA 58 8.456 6.601 -3.052 400 HB3 ALA 58 HB3 ALA 58 7.182 5.931 -4.133 401 H ILE 59 H ILE 59 8.961 5.153 -0.662 402 HA ILE 59 HA ILE 59 7.716 6.222 1.770 403 HB ILE 59 HB ILE 59 8.844 3.558 1.158 404 HG12 ILE 59 HG12 ILE 59 6.167 4.209 2.468 405 HG13 ILE 59 HG13 ILE 59 6.365 3.953 0.758 406 HG21 ILE 59 HG21 ILE 59 7.981 4.555 3.937 407 HG22 ILE 59 HG22 ILE 59 8.388 2.898 3.660 408 HG23 ILE 59 HG23 ILE 59 9.637 4.200 3.349 409 HD11 ILE 59 HD11 ILE 59 5.591 1.852 1.664 410 HD12 ILE 59 HD12 ILE 59 7.144 1.826 0.833 411 HD13 ILE 59 HD13 ILE 59 6.960 1.728 2.675 412 H ASN 60 H ASN 60 8.840 6.981 3.302 413 HA ASN 60 HA ASN 60 11.845 7.100 3.219 414 HB2 ASN 60 HB2 ASN 60 9.720 9.222 3.607 415 HB3 ASN 60 HB3 ASN 60 11.343 9.537 4.157 416 HD21 ASN 60 HD21 ASN 60 13.028 9.839 2.850 417 HD22 ASN 60 HD22 ASN 60 12.860 10.591 1.290 418 H GLY 61 H GLY 61 12.381 5.869 4.678 419 HA2 GLY 61 HA2 GLY 61 11.314 5.810 7.439 420 HA3 GLY 61 HA3 GLY 61 12.811 5.017 6.745 421 HA PRO 62 HA PRO 62 14.408 8.529 9.485 422 HB2 PRO 62 HB3 PRO 62 16.222 6.666 10.658 423 HB3 PRO 62 HB2 PRO 62 14.670 7.020 11.405 424 HG2 PRO 62 HG3 PRO 62 15.401 4.774 9.548 425 HG3 PRO 62 HG2 PRO 62 14.483 4.746 11.078 426 HD2 PRO 62 HD3 PRO 62 13.227 4.648 8.772 427 HD3 PRO 62 HD2 PRO 62 12.533 5.718 9.961 428 H ASP 63 H ASP 63 15.567 9.694 8.322 429 HA ASP 63 HA ASP 63 16.908 10.461 6.728 430 HB2 ASP 63 HB2 ASP 63 18.201 10.249 8.597 431 HB3 ASP 63 HB3 ASP 63 18.838 8.677 8.225 432 H GLY 64 H GLY 64 19.068 7.833 6.172 433 HA2 GLY 64 HA2 GLY 64 18.527 7.861 3.419 434 HA3 GLY 64 HA3 GLY 64 19.645 6.901 4.306 435 H LEU 65 H LEU 65 16.467 6.303 5.453 436 HA LEU 65 HA LEU 65 16.367 3.959 3.787 437 HB2 LEU 65 HB2 LEU 65 16.215 3.876 6.057 438 HB3 LEU 65 HB3 LEU 65 14.626 4.600 6.159 439 HG LEU 65 HG LEU 65 13.966 2.528 4.660 440 HD11 LEU 65 HD11 LEU 65 15.249 0.534 4.629 441 HD12 LEU 65 HD12 LEU 65 16.148 1.851 3.926 442 HD13 LEU 65 HD13 LEU 65 16.591 1.335 5.555 443 HD21 LEU 65 HD21 LEU 65 13.442 2.577 7.018 444 HD22 LEU 65 HD22 LEU 65 14.009 0.991 6.558 445 HD23 LEU 65 HD23 LEU 65 15.102 1.951 7.530 446 H VAL 66 H VAL 66 16.099 5.049 1.909 447 HA VAL 66 HA VAL 66 13.405 5.736 1.015 448 HB VAL 66 HB VAL 66 15.924 5.677 -0.471 449 HG11 VAL 66 HG11 VAL 66 14.323 5.531 -2.214 450 HG12 VAL 66 HG12 VAL 66 13.098 6.545 -1.306 451 HG13 VAL 66 HG13 VAL 66 14.494 7.209 -2.152 452 HG21 VAL 66 HG21 VAL 66 14.291 7.645 1.074 453 HG22 VAL 66 HG22 VAL 66 15.985 7.461 1.130 454 HG23 VAL 66 HG23 VAL 66 15.269 8.194 -0.382 455 H VAL 67 H VAL 67 11.950 4.431 0.560 456 HA VAL 67 HA VAL 67 12.575 1.792 -0.543 457 HB VAL 67 HB VAL 67 10.905 2.551 1.889 458 HG11 VAL 67 HG11 VAL 67 11.108 -0.157 0.624 459 HG12 VAL 67 HG12 VAL 67 10.536 0.131 2.264 460 HG13 VAL 67 HG13 VAL 67 9.631 0.925 1.022 461 HG21 VAL 67 HG21 VAL 67 12.351 0.957 3.121 462 HG22 VAL 67 HG22 VAL 67 13.423 0.843 1.724 463 HG23 VAL 67 HG23 VAL 67 13.240 2.422 2.459 464 H ASP 68 H ASP 68 10.753 0.730 -1.424 465 HA ASP 68 HA ASP 68 8.228 2.135 -1.400 466 HB2 ASP 68 HB2 ASP 68 7.588 1.646 -3.686 467 HB3 ASP 68 HB3 ASP 68 8.807 2.903 -3.455 468 H ALA 69 H ALA 69 6.500 1.045 -1.364 469 HA ALA 69 HA ALA 69 6.634 -1.986 -0.957 470 HB1 ALA 69 HB1 ALA 69 5.547 -0.607 0.798 471 HB2 ALA 69 HB2 ALA 69 4.305 -0.094 -0.297 472 HB3 ALA 69 HB3 ALA 69 4.507 -1.780 -0.026 473 H LYS 70 H LYS 70 5.423 -3.253 -1.966 474 HA LYS 70 HA LYS 70 5.394 -2.698 -4.928 475 HB2 LYS 70 HB2 LYS 70 6.174 -5.136 -3.234 476 HB3 LYS 70 HB3 LYS 70 5.527 -5.297 -4.899 477 HG2 LYS 70 HG2 LYS 70 7.957 -5.335 -4.663 478 HG3 LYS 70 HG3 LYS 70 7.191 -4.154 -5.841 479 HD2 LYS 70 HD2 LYS 70 7.823 -2.371 -4.343 480 HD3 LYS 70 HD3 LYS 70 8.223 -3.449 -2.994 481 HE2 LYS 70 HE2 LYS 70 10.117 -4.338 -4.197 482 HE3 LYS 70 HE3 LYS 70 9.851 -3.244 -5.508 483 HZ1 LYS 70 HZ1 LYS 70 10.089 -2.245 -2.717 484 HZ2 LYS 70 HZ2 LYS 70 11.359 -2.335 -3.665 485 HZ3 LYS 70 HZ3 LYS 70 10.106 -1.403 -4.126 486 H VAL 71 H VAL 71 3.738 -2.411 -5.926 487 HA VAL 71 HA VAL 71 1.121 -3.390 -4.792 488 HB VAL 71 HB VAL 71 1.537 -1.577 -7.028 489 HG11 VAL 71 HG11 VAL 71 -0.812 -2.018 -5.255 490 HG12 VAL 71 HG12 VAL 71 -0.691 -0.718 -6.563 491 HG13 VAL 71 HG13 VAL 71 -0.650 -2.424 -6.939 492 HG21 VAL 71 HG21 VAL 71 1.333 -0.957 -4.079 493 HG22 VAL 71 HG22 VAL 71 2.478 -0.261 -5.193 494 HG23 VAL 71 HG23 VAL 71 0.760 0.251 -5.316 495 H THR 72 H THR 72 0.187 -5.166 -5.476 496 HA THR 72 HA THR 72 0.638 -5.983 -8.385 497 HB THR 72 HB THR 72 0.292 -7.737 -6.027 498 HG1 THR 72 HG1 THR 72 2.392 -7.059 -5.669 499 HG21 THR 72 HG21 THR 72 1.205 -8.110 -8.949 500 HG22 THR 72 HG22 THR 72 1.169 -9.484 -7.643 501 HG23 THR 72 HG23 THR 72 -0.217 -8.814 -8.308 502 H ASP 73 H ASP 73 -0.969 -6.660 -9.290 503 HA ASP 73 HA ASP 73 -3.557 -5.741 -8.371 504 HB2 ASP 73 HB2 ASP 73 -2.541 -5.466 -10.654 505 HB3 ASP 73 HB3 ASP 73 -2.562 -7.207 -10.904 506 H ASN 74 H ASN 74 -5.085 -6.713 -7.602 507 HA ASN 74 HA ASN 74 -4.919 -9.641 -7.105 508 HB2 ASN 74 HB2 ASN 74 -6.922 -7.749 -5.831 509 HB3 ASN 74 HB3 ASN 74 -6.791 -9.474 -5.557 510 HD21 ASN 74 HD21 ASN 74 -6.091 -6.697 -4.066 511 HD22 ASN 74 HD22 ASN 74 -4.823 -7.531 -3.079 512 H ASN 75 H ASN 75 -6.214 -7.827 -9.547 513 HA ASN 75 HA ASN 75 -7.831 -8.282 -11.121 514 HB2 ASN 75 HB2 ASN 75 -7.589 -11.218 -10.748 515 HB3 ASN 75 HB3 ASN 75 -7.838 -10.359 -12.099 516 HD21 ASN 75 HD21 ASN 75 -5.643 -8.323 -11.885 517 HD22 ASN 75 HD22 ASN 75 -4.171 -9.279 -12.042 518 H ASP 76 H ASP 76 -8.729 -7.656 -8.634 519 HA ASP 76 HA ASP 76 -11.534 -8.550 -9.061 520 HB2 ASP 76 HB2 ASP 76 -11.828 -9.012 -6.697 521 HB3 ASP 76 HB3 ASP 76 -10.512 -9.910 -7.468 522 H GLY 77 H GLY 77 -9.871 -5.581 -9.258 523 HA2 GLY 77 HA2 GLY 77 -10.831 -3.464 -8.982 524 HA3 GLY 77 HA3 GLY 77 -12.021 -4.241 -7.982 525 H THR 78 H THR 78 -9.066 -5.455 -6.906 526 HA THR 78 HA THR 78 -8.097 -3.140 -5.454 527 HB THR 78 HB THR 78 -7.985 -4.318 -3.424 528 HG1 THR 78 HG1 THR 78 -8.777 -6.617 -4.838 529 HG21 THR 78 HG21 THR 78 -10.089 -5.148 -2.797 530 HG22 THR 78 HG22 THR 78 -10.229 -3.638 -3.706 531 HG23 THR 78 HG23 THR 78 -10.716 -5.263 -4.454 532 H TYR 79 H TYR 79 -6.006 -3.360 -4.560 533 HA TYR 79 HA TYR 79 -4.206 -5.149 -6.146 534 HB2 TYR 79 HB2 TYR 79 -4.187 -2.079 -5.687 535 HB3 TYR 79 HB3 TYR 79 -2.778 -3.003 -6.032 536 HD1 TYR 79 HD1 TYR 79 -2.237 -3.092 -8.125 537 HD2 TYR 79 HD2 TYR 79 -6.293 -2.508 -7.181 538 HE1 TYR 79 HE1 TYR 79 -2.708 -2.638 -10.511 539 HE2 TYR 79 HE2 TYR 79 -6.864 -2.102 -9.576 540 HH TYR 79 HH TYR 79 -6.083 -2.228 -11.852 541 H GLY 80 H GLY 80 -2.713 -6.091 -4.914 542 HA2 GLY 80 HA2 GLY 80 -2.717 -5.717 -1.908 543 HA3 GLY 80 HA3 GLY 80 -1.900 -7.092 -2.767 544 H VAL 81 H VAL 81 -1.025 -5.436 -0.828 545 HA VAL 81 HA VAL 81 1.432 -4.221 -2.106 546 HB VAL 81 HB VAL 81 0.010 -2.969 0.161 547 HG11 VAL 81 HG11 VAL 81 2.327 -2.323 -0.126 548 HG12 VAL 81 HG12 VAL 81 2.190 -2.101 -1.926 549 HG13 VAL 81 HG13 VAL 81 1.390 -0.968 -0.875 550 HG21 VAL 81 HG21 VAL 81 -0.652 -1.189 -0.981 551 HG22 VAL 81 HG22 VAL 81 -0.103 -1.900 -2.573 552 HG23 VAL 81 HG23 VAL 81 -1.499 -2.519 -1.527 553 H VAL 82 H VAL 82 3.364 -4.841 -1.192 554 HA VAL 82 HA VAL 82 3.233 -6.154 1.456 555 HB VAL 82 HB VAL 82 3.164 -7.815 -0.326 556 HG11 VAL 82 HG11 VAL 82 4.877 -8.134 -2.017 557 HG12 VAL 82 HG12 VAL 82 4.557 -6.370 -1.998 558 HG13 VAL 82 HG13 VAL 82 5.972 -7.090 -1.198 559 HG21 VAL 82 HG21 VAL 82 4.774 -9.195 0.669 560 HG22 VAL 82 HG22 VAL 82 5.864 -7.855 0.976 561 HG23 VAL 82 HG23 VAL 82 4.310 -8.101 1.893 562 H TYR 83 H TYR 83 5.022 -5.427 2.862 563 HA TYR 83 HA TYR 83 7.454 -4.861 1.593 564 HB2 TYR 83 HB2 TYR 83 7.862 -2.555 2.263 565 HB3 TYR 83 HB3 TYR 83 6.393 -2.607 1.255 566 HD1 TYR 83 HD1 TYR 83 4.329 -3.121 2.616 567 HD2 TYR 83 HD2 TYR 83 7.638 -0.577 3.657 568 HE1 TYR 83 HE1 TYR 83 2.837 -1.555 3.975 569 HE2 TYR 83 HE2 TYR 83 6.155 0.958 4.791 570 HH TYR 83 HH TYR 83 2.748 0.339 5.366 571 H ASP 84 H ASP 84 9.288 -4.392 3.192 572 HA ASP 84 HA ASP 84 8.783 -5.409 5.875 573 HB2 ASP 84 HB2 ASP 84 10.938 -6.471 5.832 574 HB3 ASP 84 HB3 ASP 84 9.805 -7.265 4.926 575 H ALA 85 H ALA 85 10.065 -4.824 7.525 576 HA ALA 85 HA ALA 85 11.370 -2.199 7.225 577 HB1 ALA 85 HB1 ALA 85 10.322 -1.347 8.849 578 HB2 ALA 85 HB2 ALA 85 9.041 -2.113 7.796 579 HB3 ALA 85 HB3 ALA 85 9.502 -2.836 9.376 580 HA PRO 86 HA PRO 86 14.502 -4.105 9.767 581 HB2 PRO 86 HB3 PRO 86 16.716 -3.295 8.387 582 HB3 PRO 86 HB2 PRO 86 15.497 -4.330 7.513 583 HG2 PRO 86 HG3 PRO 86 15.754 -1.411 7.115 584 HG3 PRO 86 HG2 PRO 86 15.528 -2.796 6.104 585 HD2 PRO 86 HD3 PRO 86 13.325 -1.288 7.031 586 HD3 PRO 86 HD2 PRO 86 13.358 -2.843 6.263 587 H VAL 87 H VAL 87 13.028 -1.652 10.445 588 HA VAL 87 HA VAL 87 15.108 -0.684 12.221 589 HB VAL 87 HB VAL 87 13.834 1.700 11.747 590 HG11 VAL 87 HG11 VAL 87 15.831 0.597 9.662 591 HG12 VAL 87 HG12 VAL 87 15.586 2.245 10.228 592 HG13 VAL 87 HG13 VAL 87 16.367 0.963 11.264 593 HG21 VAL 87 HG21 VAL 87 12.138 0.751 10.461 594 HG22 VAL 87 HG22 VAL 87 13.043 1.991 9.543 595 HG23 VAL 87 HG23 VAL 87 13.343 0.400 9.165 596 H GLU 88 H GLU 88 14.545 -0.494 14.221 597 HA GLU 88 HA GLU 88 11.887 0.228 15.223 598 HB2 GLU 88 HB2 GLU 88 13.576 -0.685 16.775 599 HB3 GLU 88 HB3 GLU 88 14.490 0.813 16.493 600 HG2 GLU 88 HG2 GLU 88 12.654 2.209 17.339 601 HG3 GLU 88 HG3 GLU 88 11.562 0.792 17.425 602 H GLY 89 H GLY 89 10.786 1.729 14.127 603 HA2 GLY 89 HA2 GLY 89 11.144 4.454 14.607 604 HA3 GLY 89 HA3 GLY 89 11.971 4.002 13.062 605 H ASN 90 H ASN 90 10.594 5.106 11.718 606 HA ASN 90 HA ASN 90 7.830 3.985 11.451 607 HB2 ASN 90 HB2 ASN 90 8.628 6.876 11.576 608 HB3 ASN 90 HB3 ASN 90 7.018 6.300 11.019 609 HD21 ASN 90 HD21 ASN 90 8.069 8.158 13.390 610 HD22 ASN 90 HD22 ASN 90 7.022 7.472 14.598 611 H TYR 91 H TYR 91 7.194 3.779 9.471 612 HA TYR 91 HA TYR 91 8.773 4.979 7.324 613 HB2 TYR 91 HB2 TYR 91 6.643 2.779 7.172 614 HB3 TYR 91 HB3 TYR 91 7.212 3.644 5.764 615 HD1 TYR 91 HD1 TYR 91 10.018 3.938 5.904 616 HD2 TYR 91 HD2 TYR 91 7.369 0.703 6.860 617 HE1 TYR 91 HE1 TYR 91 11.677 2.415 5.018 618 HE2 TYR 91 HE2 TYR 91 9.195 -0.901 5.981 619 HH TYR 91 HH TYR 91 11.226 -1.185 5.332 620 H ASN 92 H ASN 92 8.077 6.292 6.049 621 HA ASN 92 HA ASN 92 5.397 7.378 6.431 622 HB2 ASN 92 HB2 ASN 92 7.184 9.223 6.736 623 HB3 ASN 92 HB3 ASN 92 7.721 8.751 5.034 624 HD21 ASN 92 HD21 ASN 92 4.925 9.966 7.000 625 HD22 ASN 92 HD22 ASN 92 4.333 11.019 5.710 626 H VAL 93 H VAL 93 3.984 7.118 5.093 627 HA VAL 93 HA VAL 93 4.694 5.931 2.448 628 HB VAL 93 HB VAL 93 2.200 5.517 4.134 629 HG11 VAL 93 HG11 VAL 93 3.318 4.194 1.643 630 HG12 VAL 93 HG12 VAL 93 1.810 3.662 2.386 631 HG13 VAL 93 HG13 VAL 93 1.812 5.192 1.577 632 HG21 VAL 93 HG21 VAL 93 4.347 3.432 3.573 633 HG22 VAL 93 HG22 VAL 93 4.311 4.269 5.068 634 HG23 VAL 93 HG23 VAL 93 2.918 3.469 4.644 635 H ASN 94 H ASN 94 4.314 7.097 0.731 636 HA ASN 94 HA ASN 94 1.819 8.522 0.469 637 HB2 ASN 94 HB2 ASN 94 4.225 9.696 0.434 638 HB3 ASN 94 HB3 ASN 94 4.444 9.129 -1.120 639 HD21 ASN 94 HD21 ASN 94 4.378 11.721 -0.627 640 HD22 ASN 94 HD22 ASN 94 2.883 12.530 -1.202 641 H VAL 95 H VAL 95 0.519 8.232 -1.308 642 HA VAL 95 HA VAL 95 1.254 5.912 -3.133 643 HB VAL 95 HB VAL 95 -1.333 6.725 -1.756 644 HG11 VAL 95 HG11 VAL 95 -2.398 4.649 -2.709 645 HG12 VAL 95 HG12 VAL 95 -1.999 5.875 -3.868 646 HG13 VAL 95 HG13 VAL 95 -0.987 4.557 -3.840 647 HG21 VAL 95 HG21 VAL 95 -1.004 4.427 -0.710 648 HG22 VAL 95 HG22 VAL 95 0.552 4.315 -1.678 649 HG23 VAL 95 HG23 VAL 95 0.418 5.422 -0.348 650 H THR 96 H THR 96 1.131 6.203 -5.209 651 HA THR 96 HA THR 96 -0.426 8.604 -6.157 652 HB THR 96 HB THR 96 1.332 9.231 -7.607 653 HG1 THR 96 HG1 THR 96 3.127 7.696 -6.264 654 HG21 THR 96 HG21 THR 96 1.538 10.673 -5.772 655 HG22 THR 96 HG22 THR 96 2.161 9.428 -4.647 656 HG23 THR 96 HG23 THR 96 3.136 10.088 -5.950 657 H LEU 97 H LEU 97 -0.929 8.694 -8.173 658 HA LEU 97 HA LEU 97 -1.800 6.050 -9.127 659 HB2 LEU 97 HB2 LEU 97 -2.978 8.858 -8.392 660 HB3 LEU 97 HB3 LEU 97 -3.743 7.851 -9.620 661 HG LEU 97 HG LEU 97 -3.835 5.977 -8.236 662 HD11 LEU 97 HD11 LEU 97 -2.809 7.882 -6.084 663 HD12 LEU 97 HD12 LEU 97 -3.994 6.693 -5.657 664 HD13 LEU 97 HD13 LEU 97 -2.409 6.146 -6.452 665 HD21 LEU 97 HD21 LEU 97 -5.802 6.431 -7.266 666 HD22 LEU 97 HD22 LEU 97 -5.454 8.256 -7.144 667 HD23 LEU 97 HD23 LEU 97 -5.654 7.462 -8.675 668 H ARG 98 H ARG 98 -1.098 5.510 -11.097 669 HA ARG 98 HA ARG 98 0.307 5.867 -12.962 670 HB2 ARG 98 HB2 ARG 98 -1.838 6.424 -13.809 671 HB3 ARG 98 HB3 ARG 98 -1.630 8.131 -13.300 672 HG2 ARG 98 HG2 ARG 98 0.200 8.416 -14.982 673 HG3 ARG 98 HG3 ARG 98 0.384 6.615 -15.073 674 HD2 ARG 98 HD2 ARG 98 -2.109 8.048 -15.941 675 HD3 ARG 98 HD3 ARG 98 -0.733 7.772 -16.970 676 HE ARG 98 HE ARG 98 -2.757 5.916 -16.166 677 HH11 ARG 98 HH11 ARG 98 0.614 5.930 -17.358 678 HH12 ARG 98 HH12 ARG 98 0.554 4.266 -17.776 679 HH21 ARG 98 HH21 ARG 98 -2.912 4.021 -17.512 680 HH22 ARG 98 HH22 ARG 98 -1.459 3.312 -18.151 681 H GLY 99 H GLY 99 1.484 6.593 -10.694 682 HA2 GLY 99 HA2 GLY 99 2.653 8.026 -9.351 683 HA3 GLY 99 HA3 GLY 99 3.264 8.313 -11.045 684 H ASN 100 H ASN 100 0.092 9.433 -10.463 685 HA ASN 100 HA ASN 100 1.067 12.274 -9.844 686 HB2 ASN 100 HB2 ASN 100 -1.742 11.244 -10.509 687 HB3 ASN 100 HB3 ASN 100 -1.275 12.951 -10.250 688 HD21 ASN 100 HD21 ASN 100 -1.862 10.594 -12.573 689 HD22 ASN 100 HD22 ASN 100 -1.086 11.375 -13.882 690 HA PRO 101 HA PRO 101 -0.140 11.893 -5.865 691 HB2 PRO 101 HB3 PRO 101 -0.219 14.443 -4.776 692 HB3 PRO 101 HB2 PRO 101 1.124 13.735 -5.542 693 HG2 PRO 101 HG3 PRO 101 -0.805 15.561 -7.086 694 HG3 PRO 101 HG2 PRO 101 0.957 15.721 -6.837 695 HD2 PRO 101 HD3 PRO 101 0.055 14.417 -8.947 696 HD3 PRO 101 HD2 PRO 101 1.481 13.847 -8.099 697 H ILE 102 H ILE 102 -1.899 12.840 -4.039 698 HA ILE 102 HA ILE 102 -4.367 13.282 -4.997 699 HB ILE 102 HB ILE 102 -5.238 11.058 -3.964 700 HG12 ILE 102 HG12 ILE 102 -2.272 10.166 -3.815 701 HG13 ILE 102 HG13 ILE 102 -3.277 10.737 -2.447 702 HG21 ILE 102 HG21 ILE 102 -4.747 11.137 -6.452 703 HG22 ILE 102 HG22 ILE 102 -3.236 10.345 -6.039 704 HG23 ILE 102 HG23 ILE 102 -4.764 9.515 -5.767 705 HD11 ILE 102 HD11 ILE 102 -4.740 8.777 -2.705 706 HD12 ILE 102 HD12 ILE 102 -3.841 8.214 -4.053 707 HD13 ILE 102 HD13 ILE 102 -3.064 8.362 -2.462 708 H LYS 103 H LYS 103 -5.931 12.472 -2.812 709 HA LYS 103 HA LYS 103 -5.112 14.553 -0.896 710 HB2 LYS 103 HB2 LYS 103 -7.434 14.566 -0.340 711 HB3 LYS 103 HB3 LYS 103 -7.202 14.654 -2.136 712 HG2 LYS 103 HG2 LYS 103 -7.561 12.153 -2.097 713 HG3 LYS 103 HG3 LYS 103 -7.902 12.193 -0.382 714 HD2 LYS 103 HD2 LYS 103 -9.316 13.965 -2.341 715 HD3 LYS 103 HD3 LYS 103 -9.918 12.259 -2.018 716 HE2 LYS 103 HE2 LYS 103 -10.202 12.754 0.277 717 HE3 LYS 103 HE3 LYS 103 -9.575 14.289 0.163 718 HZ1 LYS 103 HZ1 LYS 103 -12.047 13.415 -1.234 719 HZ2 LYS 103 HZ2 LYS 103 -12.190 14.381 -0.029 720 HZ3 LYS 103 HZ3 LYS 103 -11.461 14.908 -1.325 721 H ASN 104 H ASN 104 -5.468 14.067 1.400 722 HA ASN 104 HA ASN 104 -5.053 12.868 3.263 723 HB2 ASN 104 HB2 ASN 104 -6.326 10.577 1.875 724 HB3 ASN 104 HB3 ASN 104 -6.110 10.842 3.678 725 HD21 ASN 104 HD21 ASN 104 -7.260 12.762 4.518 726 HD22 ASN 104 HD22 ASN 104 -8.897 13.041 3.932 727 H MET 105 H MET 105 -2.895 12.815 1.226 728 HA MET 105 HA MET 105 -1.460 10.649 2.488 729 HB2 MET 105 HB2 MET 105 -1.789 11.306 -0.440 730 HB3 MET 105 HB3 MET 105 -0.314 10.664 0.173 731 HG2 MET 105 HG2 MET 105 -3.000 9.459 0.765 732 HG3 MET 105 HG3 MET 105 -1.983 8.853 -0.584 733 HE1 MET 105 HE1 MET 105 -2.721 6.485 1.046 734 HE2 MET 105 HE2 MET 105 -1.370 5.943 2.156 735 HE3 MET 105 HE3 MET 105 -2.506 6.940 2.811 736 HA PRO 106 HA PRO 106 1.323 10.181 2.223 737 HB2 PRO 106 HB3 PRO 106 3.411 10.789 3.819 738 HB3 PRO 106 HB2 PRO 106 3.324 10.971 2.071 739 HG2 PRO 106 HG3 PRO 106 2.757 13.081 4.187 740 HG3 PRO 106 HG2 PRO 106 3.932 13.259 2.884 741 HD2 PRO 106 HD3 PRO 106 1.265 14.202 2.641 742 HD3 PRO 106 HD2 PRO 106 2.202 13.504 1.301 743 H ILE 107 H ILE 107 1.722 8.938 4.198 744 HA ILE 107 HA ILE 107 0.695 10.044 6.728 745 HB ILE 107 HB ILE 107 -0.753 8.193 7.272 746 HG12 ILE 107 HG12 ILE 107 -0.518 6.886 4.515 747 HG13 ILE 107 HG13 ILE 107 0.620 6.482 5.624 748 HG21 ILE 107 HG21 ILE 107 -2.621 8.221 5.872 749 HG22 ILE 107 HG22 ILE 107 -2.009 9.869 6.130 750 HG23 ILE 107 HG23 ILE 107 -1.746 8.952 4.577 751 HD11 ILE 107 HD11 ILE 107 -1.906 6.297 7.011 752 HD12 ILE 107 HD12 ILE 107 -2.186 5.607 5.383 753 HD13 ILE 107 HD13 ILE 107 -0.957 4.948 6.406 754 H ASP 108 H ASP 108 1.049 7.828 8.448 755 HA ASP 108 HA ASP 108 3.799 6.920 7.901 756 HB2 ASP 108 HB2 ASP 108 2.861 8.319 10.464 757 HB3 ASP 108 HB3 ASP 108 4.486 7.822 9.990 758 H VAL 109 H VAL 109 4.530 5.171 8.953 759 HA VAL 109 HA VAL 109 2.410 3.492 10.281 760 HB VAL 109 HB VAL 109 4.194 2.687 8.104 761 HG11 VAL 109 HG11 VAL 109 2.905 0.457 8.269 762 HG12 VAL 109 HG12 VAL 109 3.928 0.918 9.586 763 HG13 VAL 109 HG13 VAL 109 2.118 1.119 9.740 764 HG21 VAL 109 HG21 VAL 109 2.089 4.038 7.379 765 HG22 VAL 109 HG22 VAL 109 2.367 2.354 6.803 766 HG23 VAL 109 HG23 VAL 109 1.151 2.636 8.106 767 H LYS 110 H LYS 110 3.298 2.598 12.062 768 HA LYS 110 HA LYS 110 5.950 3.032 12.912 769 HB2 LYS 110 HB2 LYS 110 3.862 2.977 14.290 770 HB3 LYS 110 HB3 LYS 110 3.942 1.226 14.171 771 HG2 LYS 110 HG2 LYS 110 6.248 1.238 15.207 772 HG3 LYS 110 HG3 LYS 110 6.197 2.950 15.160 773 HD2 LYS 110 HD2 LYS 110 3.904 2.742 16.606 774 HD3 LYS 110 HD3 LYS 110 4.342 1.061 16.679 775 HE2 LYS 110 HE2 LYS 110 6.525 1.753 17.762 776 HE3 LYS 110 HE3 LYS 110 6.088 3.493 17.299 777 HZ1 LYS 110 HZ1 LYS 110 4.586 1.728 19.118 778 HZ2 LYS 110 HZ2 LYS 110 5.707 2.705 19.603 779 HZ3 LYS 110 HZ3 LYS 110 4.450 3.452 18.936 780 H CYS 111 H CYS 111 7.589 1.953 12.810 781 HA CYS 111 HA CYS 111 7.725 -0.749 11.493 782 HB2 CYS 111 HB2 CYS 111 9.849 1.259 11.939 783 HB3 CYS 111 HB3 CYS 111 10.092 -0.257 11.174 784 HG CYS 111 HG CYS 111 7.833 1.925 9.910 785 H ILE 112 H ILE 112 8.309 -2.436 12.956 786 HA ILE 112 HA ILE 112 10.673 -1.845 14.685 787 HB ILE 112 HB ILE 112 8.936 -1.657 16.262 788 HG12 ILE 112 HG12 ILE 112 9.478 -3.505 17.979 789 HG13 ILE 112 HG13 ILE 112 10.133 -4.382 16.600 790 HG21 ILE 112 HG21 ILE 112 8.162 -4.522 15.853 791 HG22 ILE 112 HG22 ILE 112 7.370 -3.437 16.963 792 HG23 ILE 112 HG23 ILE 112 7.252 -3.155 15.259 793 HD11 ILE 112 HD11 ILE 112 12.071 -2.960 16.358 794 HD12 ILE 112 HD12 ILE 112 11.327 -1.756 17.335 795 HD13 ILE 112 HD13 ILE 112 11.864 -3.157 18.175 796 H GLU 113 H GLU 113 12.172 -3.102 14.235 797 HA GLU 113 HA GLU 113 12.206 -4.752 12.031 798 HB2 GLU 113 HB2 GLU 113 14.542 -4.752 12.483 799 HB3 GLU 113 HB3 GLU 113 13.682 -3.179 12.601 800 HG2 GLU 113 HG2 GLU 113 13.752 -3.445 15.075 801 HG3 GLU 113 HG3 GLU 113 14.731 -4.907 14.851 802 H GLY 114 H GLY 114 10.452 -6.143 13.447 803 HA2 GLY 114 HA2 GLY 114 11.498 -8.539 14.796 804 HA3 GLY 114 HA3 GLY 114 9.827 -8.212 14.226 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -20.810 -7.747 -10.485 2 H2 MET 1 H2 MET 1 -20.798 -8.713 -9.213 3 H3 MET 1 H3 MET 1 -21.208 -7.141 -8.975 4 HA MET 1 HA MET 1 -18.960 -6.657 -10.095 5 HB2 MET 1 HB2 MET 1 -19.518 -6.159 -7.720 6 HB3 MET 1 HB3 MET 1 -19.082 -7.722 -7.241 7 HG2 MET 1 HG2 MET 1 -17.282 -5.951 -6.952 8 HG3 MET 1 HG3 MET 1 -16.795 -7.330 -7.918 9 HE1 MET 1 HE1 MET 1 -14.515 -5.257 -10.118 10 HE2 MET 1 HE2 MET 1 -14.751 -4.756 -8.452 11 HE3 MET 1 HE3 MET 1 -14.830 -6.496 -8.867 12 H HIS 2 H HIS 2 -17.424 -7.436 -11.139 13 HA HIS 2 HA HIS 2 -15.900 -9.616 -10.443 14 HB2 HIS 2 HB2 HIS 2 -17.917 -10.954 -11.339 15 HB3 HIS 2 HB3 HIS 2 -17.825 -9.996 -12.809 16 HD1 HIS 2 HD1 HIS 2 -16.519 -11.321 -14.731 17 HD2 HIS 2 HD2 HIS 2 -15.352 -12.194 -10.716 18 HE1 HIS 2 HE1 HIS 2 -14.464 -12.799 -14.844 19 H HIS 3 H HIS 3 -14.027 -9.576 -11.389 20 HA HIS 3 HA HIS 3 -13.340 -7.253 -12.985 21 HB2 HIS 3 HB2 HIS 3 -12.554 -7.749 -10.769 22 HB3 HIS 3 HB3 HIS 3 -11.792 -9.254 -11.222 23 HD1 HIS 3 HD1 HIS 3 -10.630 -5.886 -10.543 24 HD2 HIS 3 HD2 HIS 3 -9.879 -8.945 -13.300 25 HE1 HIS 3 HE1 HIS 3 -8.418 -5.346 -11.512 26 H HIS 4 H HIS 4 -13.228 -7.379 -15.251 27 HA HIS 4 HA HIS 4 -11.761 -9.487 -16.422 28 HB2 HIS 4 HB2 HIS 4 -13.895 -10.629 -16.218 29 HB3 HIS 4 HB3 HIS 4 -14.651 -9.338 -17.217 30 HD1 HIS 4 HD1 HIS 4 -14.155 -9.476 -19.809 31 HD2 HIS 4 HD2 HIS 4 -12.578 -12.593 -17.490 32 HE1 HIS 4 HE1 HIS 4 -13.515 -11.391 -21.455 33 H HIS 5 H HIS 5 -11.189 -9.045 -18.541 34 HA HIS 5 HA HIS 5 -11.590 -6.211 -19.301 35 HB2 HIS 5 HB2 HIS 5 -9.615 -8.288 -20.251 36 HB3 HIS 5 HB3 HIS 5 -9.683 -6.593 -20.835 37 HD1 HIS 5 HD1 HIS 5 -8.805 -4.668 -19.502 38 HD2 HIS 5 HD2 HIS 5 -8.005 -8.530 -18.136 39 HE1 HIS 5 HE1 HIS 5 -6.709 -4.573 -17.834 40 H HIS 6 H HIS 6 -12.674 -5.451 -20.880 41 HA HIS 6 HA HIS 6 -14.027 -7.233 -22.876 42 HB2 HIS 6 HB2 HIS 6 -14.971 -4.882 -21.305 43 HB3 HIS 6 HB3 HIS 6 -15.831 -5.855 -22.597 44 HD1 HIS 6 HD1 HIS 6 -15.452 -5.697 -18.814 45 HD2 HIS 6 HD2 HIS 6 -15.985 -8.685 -21.773 46 HE1 HIS 6 HE1 HIS 6 -16.254 -7.888 -17.649 47 H HIS 7 H HIS 7 -12.219 -4.188 -22.214 48 HA HIS 7 HA HIS 7 -12.848 -3.425 -24.958 49 HB2 HIS 7 HB2 HIS 7 -13.043 -1.657 -22.441 50 HB3 HIS 7 HB3 HIS 7 -13.169 -1.117 -24.067 51 HD1 HIS 7 HD1 HIS 7 -15.407 -2.290 -21.407 52 HD2 HIS 7 HD2 HIS 7 -15.202 -2.592 -25.641 53 HE1 HIS 7 HE1 HIS 7 -17.669 -2.938 -22.250 54 H ALA 8 H ALA 8 -11.308 -1.589 -25.741 55 HA ALA 8 HA ALA 8 -8.778 -2.127 -24.815 56 HB1 ALA 8 HB1 ALA 8 -9.474 -1.708 -27.167 57 HB2 ALA 8 HB2 ALA 8 -9.765 0.010 -26.799 58 HB3 ALA 8 HB3 ALA 8 -8.184 -0.541 -26.846 59 H SER 9 H SER 9 -10.964 0.357 -24.050 60 HA SER 9 HA SER 9 -9.034 2.148 -22.511 61 HB2 SER 9 HB2 SER 9 -10.707 3.693 -22.453 62 HB3 SER 9 HB3 SER 9 -10.269 3.320 -24.178 63 HG SER 9 HG SER 9 -12.619 3.345 -23.926 64 H LYS 10 H LYS 10 -9.393 2.649 -20.482 65 HA LYS 10 HA LYS 10 -11.564 1.403 -18.865 66 HB2 LYS 10 HB2 LYS 10 -8.611 1.852 -18.308 67 HB3 LYS 10 HB3 LYS 10 -9.771 1.218 -17.140 68 HG2 LYS 10 HG2 LYS 10 -10.098 -0.840 -18.537 69 HG3 LYS 10 HG3 LYS 10 -9.036 -0.186 -19.679 70 HD2 LYS 10 HD2 LYS 10 -8.133 -0.753 -16.712 71 HD3 LYS 10 HD3 LYS 10 -8.270 -2.037 -17.977 72 HE2 LYS 10 HE2 LYS 10 -6.404 -1.302 -19.003 73 HE3 LYS 10 HE3 LYS 10 -6.807 0.408 -18.613 74 HZ1 LYS 10 HZ1 LYS 10 -4.966 -0.213 -17.256 75 HZ2 LYS 10 HZ2 LYS 10 -6.248 -0.064 -16.282 76 HZ3 LYS 10 HZ3 LYS 10 -5.681 -1.531 -16.774 77 HA PRO 11 HA PRO 11 -11.443 5.570 -17.150 78 HB2 PRO 11 HB3 PRO 11 -13.056 5.331 -14.954 79 HB3 PRO 11 HB2 PRO 11 -13.744 5.034 -16.590 80 HG2 PRO 11 HG3 PRO 11 -12.787 2.829 -14.631 81 HG3 PRO 11 HG2 PRO 11 -14.310 3.141 -15.491 82 HD2 PRO 11 HD3 PRO 11 -12.458 1.612 -16.688 83 HD3 PRO 11 HD2 PRO 11 -13.590 2.685 -17.575 84 H ALA 12 H ALA 12 -10.550 6.644 -15.524 85 HA ALA 12 HA ALA 12 -8.188 5.362 -14.292 86 HB1 ALA 12 HB1 ALA 12 -7.375 7.418 -13.906 87 HB2 ALA 12 HB2 ALA 12 -7.766 7.328 -15.669 88 HB3 ALA 12 HB3 ALA 12 -8.914 8.126 -14.471 89 HA PRO 13 HA PRO 13 -10.198 5.338 -10.273 90 HB2 PRO 13 HB3 PRO 13 -7.367 5.308 -9.408 91 HB3 PRO 13 HB2 PRO 13 -8.646 4.042 -8.991 92 HG2 PRO 13 HG3 PRO 13 -6.590 3.521 -10.673 93 HG3 PRO 13 HG2 PRO 13 -8.352 2.950 -11.055 94 HD2 PRO 13 HD3 PRO 13 -6.792 5.276 -12.177 95 HD3 PRO 13 HD2 PRO 13 -7.869 3.981 -12.879 96 H SER 14 H SER 14 -10.226 6.759 -8.393 97 HA SER 14 HA SER 14 -9.008 9.363 -8.911 98 HB2 SER 14 HB2 SER 14 -11.852 9.094 -7.965 99 HB3 SER 14 HB3 SER 14 -11.131 10.527 -8.589 100 HG SER 14 HG SER 14 -12.020 8.229 -9.874 101 H ALA 15 H ALA 15 -8.762 10.772 -7.117 102 HA ALA 15 HA ALA 15 -7.974 9.636 -4.706 103 HB1 ALA 15 HB1 ALA 15 -7.071 11.645 -5.674 104 HB2 ALA 15 HB2 ALA 15 -8.477 12.638 -5.431 105 HB3 ALA 15 HB3 ALA 15 -7.596 12.082 -4.035 106 H GLU 16 H GLU 16 -11.090 11.366 -5.051 107 HA GLU 16 HA GLU 16 -12.093 10.963 -2.496 108 HB2 GLU 16 HB2 GLU 16 -13.160 11.193 -5.210 109 HB3 GLU 16 HB3 GLU 16 -14.283 10.789 -3.913 110 HG2 GLU 16 HG2 GLU 16 -13.334 12.864 -2.635 111 HG3 GLU 16 HG3 GLU 16 -12.350 13.139 -4.071 112 H HIS 17 H HIS 17 -11.214 8.639 -5.017 113 HA HIS 17 HA HIS 17 -13.032 6.564 -4.045 114 HB2 HIS 17 HB2 HIS 17 -12.311 7.533 -6.799 115 HB3 HIS 17 HB3 HIS 17 -13.259 6.060 -6.472 116 HD1 HIS 17 HD1 HIS 17 -15.328 7.251 -4.301 117 HD2 HIS 17 HD2 HIS 17 -14.040 9.113 -7.852 118 HE1 HIS 17 HE1 HIS 17 -17.083 9.020 -4.895 119 H SER 18 H SER 18 -10.076 6.825 -3.469 120 HA SER 18 HA SER 18 -9.541 4.035 -3.964 121 HB2 SER 18 HB2 SER 18 -8.364 5.074 -5.861 122 HB3 SER 18 HB3 SER 18 -7.376 6.068 -4.604 123 HG SER 18 HG SER 18 -6.655 4.044 -3.924 124 H TYR 19 H TYR 19 -9.008 3.166 -2.105 125 HA TYR 19 HA TYR 19 -7.803 4.652 -0.007 126 HB2 TYR 19 HB2 TYR 19 -10.761 4.083 -0.067 127 HB3 TYR 19 HB3 TYR 19 -9.883 4.070 1.533 128 HD1 TYR 19 HD1 TYR 19 -11.619 6.054 -0.686 129 HD2 TYR 19 HD2 TYR 19 -8.244 5.968 1.927 130 HE1 TYR 19 HE1 TYR 19 -11.797 8.614 -0.221 131 HE2 TYR 19 HE2 TYR 19 -8.420 8.407 2.312 132 HH TYR 19 HH TYR 19 -9.594 10.360 1.797 133 H ALA 20 H ALA 20 -7.111 3.251 1.643 134 HA ALA 20 HA ALA 20 -7.465 0.426 1.036 135 HB1 ALA 20 HB1 ALA 20 -4.794 1.902 1.595 136 HB2 ALA 20 HB2 ALA 20 -4.939 0.245 1.055 137 HB3 ALA 20 HB3 ALA 20 -5.515 1.565 -0.021 138 H GLU 21 H GLU 21 -6.428 -1.217 2.289 139 HA GLU 21 HA GLU 21 -6.598 -0.864 5.171 140 HB2 GLU 21 HB2 GLU 21 -8.495 -2.542 5.233 141 HB3 GLU 21 HB3 GLU 21 -8.949 -1.065 4.362 142 HG2 GLU 21 HG2 GLU 21 -8.677 -2.163 2.214 143 HG3 GLU 21 HG3 GLU 21 -8.002 -3.551 2.750 144 H GLY 22 H GLY 22 -5.640 -2.571 6.456 145 HA2 GLY 22 HA2 GLY 22 -5.076 -5.008 6.426 146 HA3 GLY 22 HA3 GLY 22 -4.064 -4.747 5.145 147 H GLU 23 H GLU 23 -2.890 -5.751 7.350 148 HA GLU 23 HA GLU 23 -2.324 -3.896 9.464 149 HB2 GLU 23 HB2 GLU 23 -1.347 -6.548 8.490 150 HB3 GLU 23 HB3 GLU 23 -0.873 -5.866 10.087 151 HG2 GLU 23 HG2 GLU 23 -3.540 -6.610 9.034 152 HG3 GLU 23 HG3 GLU 23 -2.713 -7.620 10.211 153 H GLY 24 H GLY 24 -0.712 -4.084 6.417 154 HA2 GLY 24 HA2 GLY 24 1.840 -2.931 7.168 155 HA3 GLY 24 HA3 GLY 24 1.003 -3.206 5.590 156 H LEU 25 H LEU 25 -1.303 -1.635 7.453 157 HA LEU 25 HA LEU 25 -0.119 1.010 7.147 158 HB2 LEU 25 HB2 LEU 25 -3.055 0.126 7.360 159 HB3 LEU 25 HB3 LEU 25 -2.463 1.813 7.242 160 HG LEU 25 HG LEU 25 -2.002 -0.285 5.120 161 HD11 LEU 25 HD11 LEU 25 -4.393 0.210 5.589 162 HD12 LEU 25 HD12 LEU 25 -4.216 1.913 5.284 163 HD13 LEU 25 HD13 LEU 25 -3.890 0.825 3.990 164 HD21 LEU 25 HD21 LEU 25 -1.714 2.706 5.449 165 HD22 LEU 25 HD22 LEU 25 -0.496 1.562 4.906 166 HD23 LEU 25 HD23 LEU 25 -1.777 1.944 3.763 167 H VAL 26 H VAL 26 -0.108 -1.357 9.385 168 HA VAL 26 HA VAL 26 -0.404 0.570 11.684 169 HB VAL 26 HB VAL 26 -1.417 -2.256 11.413 170 HG11 VAL 26 HG11 VAL 26 -2.623 -1.765 13.679 171 HG12 VAL 26 HG12 VAL 26 -0.934 -1.961 13.813 172 HG13 VAL 26 HG13 VAL 26 -1.499 -0.331 13.838 173 HG21 VAL 26 HG21 VAL 26 -2.988 -0.824 10.213 174 HG22 VAL 26 HG22 VAL 26 -3.756 -1.248 11.767 175 HG23 VAL 26 HG23 VAL 26 -3.088 0.306 11.600 176 H LYS 27 H LYS 27 1.223 -2.367 10.569 177 HA LYS 27 HA LYS 27 3.468 -1.446 12.051 178 HB2 LYS 27 HB2 LYS 27 1.952 -2.586 13.729 179 HB3 LYS 27 HB3 LYS 27 2.289 -4.194 12.969 180 HG2 LYS 27 HG2 LYS 27 4.614 -3.941 13.419 181 HG3 LYS 27 HG3 LYS 27 4.434 -2.201 13.955 182 HD2 LYS 27 HD2 LYS 27 3.486 -4.601 15.493 183 HD3 LYS 27 HD3 LYS 27 4.912 -3.590 15.792 184 HE2 LYS 27 HE2 LYS 27 3.491 -1.657 16.085 185 HE3 LYS 27 HE3 LYS 27 2.029 -2.583 15.743 186 HZ1 LYS 27 HZ1 LYS 27 2.361 -2.302 18.098 187 HZ2 LYS 27 HZ2 LYS 27 2.478 -3.880 17.557 188 HZ3 LYS 27 HZ3 LYS 27 3.746 -3.122 18.159 189 H VAL 28 H VAL 28 5.271 -2.170 11.341 190 HA VAL 28 HA VAL 28 5.223 -4.198 9.206 191 HB VAL 28 HB VAL 28 6.678 -1.525 9.050 192 HG11 VAL 28 HG11 VAL 28 7.755 -2.907 7.535 193 HG12 VAL 28 HG12 VAL 28 6.421 -3.985 7.357 194 HG13 VAL 28 HG13 VAL 28 6.413 -2.445 6.482 195 HG21 VAL 28 HG21 VAL 28 5.184 -0.646 7.414 196 HG22 VAL 28 HG22 VAL 28 4.086 -2.024 7.449 197 HG23 VAL 28 HG23 VAL 28 4.211 -0.942 8.746 198 H PHE 29 H PHE 29 7.034 -5.479 9.212 199 HA PHE 29 HA PHE 29 8.951 -4.917 11.420 200 HB2 PHE 29 HB2 PHE 29 7.679 -7.484 10.459 201 HB3 PHE 29 HB3 PHE 29 8.647 -7.506 11.927 202 HD1 PHE 29 HD1 PHE 29 7.873 -6.474 13.986 203 HD2 PHE 29 HD2 PHE 29 5.278 -6.722 10.505 204 HE1 PHE 29 HE1 PHE 29 5.806 -6.364 15.415 205 HE2 PHE 29 HE2 PHE 29 3.313 -6.662 11.987 206 HZ PHE 29 HZ PHE 29 3.586 -6.821 14.408 207 H ASP 30 H ASP 30 10.744 -7.307 11.257 208 HA ASP 30 HA ASP 30 12.275 -6.360 9.028 209 HB2 ASP 30 HB2 ASP 30 13.217 -6.156 11.155 210 HB3 ASP 30 HB3 ASP 30 12.917 -7.860 11.478 211 H ASN 31 H ASN 31 11.314 -9.477 10.544 212 HA ASN 31 HA ASN 31 11.743 -10.906 8.033 213 HB2 ASN 31 HB2 ASN 31 10.942 -11.739 10.743 214 HB3 ASN 31 HB3 ASN 31 11.441 -12.939 9.484 215 HD21 ASN 31 HD21 ASN 31 12.793 -10.922 11.857 216 HD22 ASN 31 HD22 ASN 31 14.478 -11.097 11.496 217 H ALA 32 H ALA 32 9.135 -9.291 9.233 218 HA ALA 32 HA ALA 32 7.232 -11.147 7.969 219 HB1 ALA 32 HB1 ALA 32 7.102 -11.247 10.432 220 HB2 ALA 32 HB2 ALA 32 6.571 -9.447 10.324 221 HB3 ALA 32 HB3 ALA 32 5.658 -10.685 9.552 222 HA PRO 33 HA PRO 33 7.180 -7.260 5.608 223 HB2 PRO 33 HB3 PRO 33 6.761 -9.082 3.329 224 HB3 PRO 33 HB2 PRO 33 7.973 -7.793 3.569 225 HG2 PRO 33 HG3 PRO 33 8.404 -10.459 3.543 226 HG3 PRO 33 HG2 PRO 33 9.437 -9.408 4.549 227 HD2 PRO 33 HD3 PRO 33 7.082 -11.054 5.344 228 HD3 PRO 33 HD2 PRO 33 8.753 -10.832 6.149 229 H ALA 34 H ALA 34 5.597 -6.109 5.491 230 HA ALA 34 HA ALA 34 2.957 -7.321 6.214 231 HB1 ALA 34 HB1 ALA 34 3.841 -5.950 8.012 232 HB2 ALA 34 HB2 ALA 34 4.426 -4.774 6.728 233 HB3 ALA 34 HB3 ALA 34 2.671 -4.989 7.122 234 H GLU 35 H GLU 35 1.115 -6.626 5.379 235 HA GLU 35 HA GLU 35 1.211 -5.354 2.740 236 HB2 GLU 35 HB2 GLU 35 -0.432 -7.765 3.683 237 HB3 GLU 35 HB3 GLU 35 -0.536 -6.969 2.097 238 HG2 GLU 35 HG2 GLU 35 1.672 -7.555 1.486 239 HG3 GLU 35 HG3 GLU 35 2.097 -8.127 3.022 240 H PHE 36 H PHE 36 -0.567 -4.489 1.794 241 HA PHE 36 HA PHE 36 -2.928 -4.306 3.131 242 HB2 PHE 36 HB2 PHE 36 -3.214 -1.918 3.670 243 HB3 PHE 36 HB3 PHE 36 -1.780 -2.404 4.469 244 HD1 PHE 36 HD1 PHE 36 -3.113 -0.316 1.796 245 HD2 PHE 36 HD2 PHE 36 0.549 -1.874 3.526 246 HE1 PHE 36 HE1 PHE 36 -1.910 1.511 0.853 247 HE2 PHE 36 HE2 PHE 36 1.808 -0.289 2.147 248 HZ PHE 36 HZ PHE 36 0.656 1.586 1.019 249 H THR 37 H THR 37 -4.558 -3.053 2.119 250 HA THR 37 HA THR 37 -4.184 -3.410 -0.746 251 HB THR 37 HB THR 37 -6.503 -4.265 1.011 252 HG1 THR 37 HG1 THR 37 -5.352 -5.470 1.669 253 HG21 THR 37 HG21 THR 37 -5.753 -4.962 -1.854 254 HG22 THR 37 HG22 THR 37 -6.720 -6.080 -0.925 255 HG23 THR 37 HG23 THR 37 -7.328 -4.396 -1.287 256 H ILE 38 H ILE 38 -4.633 -2.040 -1.913 257 HA ILE 38 HA ILE 38 -6.149 0.330 -1.356 258 HB ILE 38 HB ILE 38 -4.830 -0.296 -4.008 259 HG12 ILE 38 HG12 ILE 38 -3.898 1.265 -1.550 260 HG13 ILE 38 HG13 ILE 38 -3.116 -0.165 -1.981 261 HG21 ILE 38 HG21 ILE 38 -5.079 2.098 -4.461 262 HG22 ILE 38 HG22 ILE 38 -6.562 1.409 -4.153 263 HG23 ILE 38 HG23 ILE 38 -5.814 2.334 -2.833 264 HD11 ILE 38 HD11 ILE 38 -2.318 0.941 -4.037 265 HD12 ILE 38 HD12 ILE 38 -3.189 2.408 -3.646 266 HD13 ILE 38 HD13 ILE 38 -1.767 1.771 -2.670 267 H PHE 39 H PHE 39 -8.285 0.255 -1.634 268 HA PHE 39 HA PHE 39 -9.564 -1.594 -3.435 269 HB2 PHE 39 HB2 PHE 39 -11.585 -1.268 -2.393 270 HB3 PHE 39 HB3 PHE 39 -10.398 -2.005 -1.436 271 HD1 PHE 39 HD1 PHE 39 -12.472 1.016 -1.526 272 HD2 PHE 39 HD2 PHE 39 -9.258 -0.951 0.525 273 HE1 PHE 39 HE1 PHE 39 -12.733 2.545 0.343 274 HE2 PHE 39 HE2 PHE 39 -9.603 0.559 2.424 275 HZ PHE 39 HZ PHE 39 -11.464 2.147 2.485 276 H ALA 40 H ALA 40 -9.679 -0.743 -5.444 277 HA ALA 40 HA ALA 40 -9.997 2.134 -5.960 278 HB1 ALA 40 HB1 ALA 40 -8.056 1.137 -7.004 279 HB2 ALA 40 HB2 ALA 40 -9.103 -0.240 -7.508 280 HB3 ALA 40 HB3 ALA 40 -9.135 1.478 -8.213 281 H VAL 41 H VAL 41 -11.460 3.201 -6.654 282 HA VAL 41 HA VAL 41 -13.400 2.061 -8.632 283 HB VAL 41 HB VAL 41 -13.990 4.194 -6.661 284 HG11 VAL 41 HG11 VAL 41 -16.514 3.665 -7.222 285 HG12 VAL 41 HG12 VAL 41 -15.599 4.591 -8.384 286 HG13 VAL 41 HG13 VAL 41 -15.895 2.810 -8.575 287 HG21 VAL 41 HG21 VAL 41 -15.305 2.936 -5.226 288 HG22 VAL 41 HG22 VAL 41 -15.355 1.574 -6.282 289 HG23 VAL 41 HG23 VAL 41 -13.872 1.853 -5.468 290 H ASP 42 H ASP 42 -13.667 3.307 -10.428 291 HA ASP 42 HA ASP 42 -12.060 5.692 -10.860 292 HB2 ASP 42 HB2 ASP 42 -13.840 5.908 -12.706 293 HB3 ASP 42 HB3 ASP 42 -12.651 4.557 -12.785 294 H THR 43 H THR 43 -15.652 5.593 -10.890 295 HA THR 43 HA THR 43 -16.022 7.777 -9.233 296 HB THR 43 HB THR 43 -17.084 9.078 -11.225 297 HG1 THR 43 HG1 THR 43 -16.157 8.496 -13.293 298 HG21 THR 43 HG21 THR 43 -14.131 9.090 -11.809 299 HG22 THR 43 HG22 THR 43 -15.439 10.346 -11.841 300 HG23 THR 43 HG23 THR 43 -14.852 9.792 -10.274 301 H LYS 44 H LYS 44 -17.233 5.519 -11.687 302 HA LYS 44 HA LYS 44 -19.922 6.495 -11.015 303 HB2 LYS 44 HB2 LYS 44 -18.999 4.471 -13.051 304 HB3 LYS 44 HB3 LYS 44 -20.688 4.836 -12.730 305 HG2 LYS 44 HG2 LYS 44 -20.263 7.279 -13.171 306 HG3 LYS 44 HG3 LYS 44 -18.558 6.967 -13.387 307 HD2 LYS 44 HD2 LYS 44 -19.588 7.130 -15.568 308 HD3 LYS 44 HD3 LYS 44 -19.358 5.418 -15.357 309 HE2 LYS 44 HE2 LYS 44 -21.523 5.959 -16.344 310 HE3 LYS 44 HE3 LYS 44 -21.859 5.332 -14.751 311 HZ1 LYS 44 HZ1 LYS 44 -22.222 7.627 -14.065 312 HZ2 LYS 44 HZ2 LYS 44 -21.700 8.158 -15.544 313 HZ3 LYS 44 HZ3 LYS 44 -23.109 7.299 -15.366 314 H GLY 45 H GLY 45 -18.964 5.506 -8.850 315 HA2 GLY 45 HA2 GLY 45 -19.604 4.266 -6.980 316 HA3 GLY 45 HA3 GLY 45 -20.934 3.632 -8.072 317 H VAL 46 H VAL 46 -19.844 2.080 -9.657 318 HA VAL 46 HA VAL 46 -19.154 -0.325 -8.109 319 HB VAL 46 HB VAL 46 -19.342 0.189 -11.029 320 HG11 VAL 46 HG11 VAL 46 -18.911 -2.387 -9.552 321 HG12 VAL 46 HG12 VAL 46 -19.219 -2.312 -11.312 322 HG13 VAL 46 HG13 VAL 46 -17.767 -1.500 -10.687 323 HG21 VAL 46 HG21 VAL 46 -21.425 -1.316 -10.766 324 HG22 VAL 46 HG22 VAL 46 -21.218 -1.289 -9.074 325 HG23 VAL 46 HG23 VAL 46 -21.466 0.235 -10.049 326 H ALA 47 H ALA 47 -17.210 -1.038 -7.565 327 HA ALA 47 HA ALA 47 -14.560 -0.053 -7.769 328 HB1 ALA 47 HB1 ALA 47 -15.432 -1.804 -6.167 329 HB2 ALA 47 HB2 ALA 47 -15.822 -2.801 -7.551 330 HB3 ALA 47 HB3 ALA 47 -14.177 -2.419 -7.146 331 H ARG 48 H ARG 48 -12.800 -1.016 -8.667 332 HA ARG 48 HA ARG 48 -13.063 -0.715 -11.521 333 HB2 ARG 48 HB2 ARG 48 -10.630 -1.442 -9.959 334 HB3 ARG 48 HB3 ARG 48 -10.715 -1.284 -11.679 335 HG2 ARG 48 HG2 ARG 48 -11.325 0.841 -9.644 336 HG3 ARG 48 HG3 ARG 48 -9.719 0.714 -10.575 337 HD2 ARG 48 HD2 ARG 48 -12.411 1.200 -11.900 338 HD3 ARG 48 HD3 ARG 48 -11.212 2.457 -11.379 339 HE ARG 48 HE ARG 48 -9.636 1.754 -12.883 340 HH11 ARG 48 HH11 ARG 48 -12.881 0.095 -13.980 341 HH12 ARG 48 HH12 ARG 48 -11.894 -0.765 -14.996 342 HH21 ARG 48 HH21 ARG 48 -8.837 0.364 -14.617 343 HH22 ARG 48 HH22 ARG 48 -10.031 -0.562 -15.496 344 H THR 49 H THR 49 -14.247 -2.140 -12.502 345 HA THR 49 HA THR 49 -14.141 -4.818 -12.257 346 HB THR 49 HB THR 49 -15.705 -4.881 -14.243 347 HG1 THR 49 HG1 THR 49 -15.976 -2.168 -14.219 348 HG21 THR 49 HG21 THR 49 -16.828 -4.672 -12.025 349 HG22 THR 49 HG22 THR 49 -16.257 -3.022 -11.965 350 HG23 THR 49 HG23 THR 49 -17.535 -3.489 -13.142 351 H ASP 50 H ASP 50 -11.835 -3.055 -13.759 352 HA ASP 50 HA ASP 50 -10.741 -5.398 -14.689 353 HB2 ASP 50 HB2 ASP 50 -9.904 -4.378 -16.920 354 HB3 ASP 50 HB3 ASP 50 -11.557 -4.905 -16.779 355 H GLY 51 H GLY 51 -8.228 -4.416 -15.744 356 HA2 GLY 51 HA2 GLY 51 -7.384 -3.552 -13.028 357 HA3 GLY 51 HA3 GLY 51 -7.050 -4.946 -13.695 358 H GLY 52 H GLY 52 -4.903 -4.261 -13.088 359 HA2 GLY 52 HA2 GLY 52 -2.602 -3.500 -13.644 360 HA3 GLY 52 HA3 GLY 52 -3.234 -3.541 -15.277 361 H ASP 53 H ASP 53 -5.173 -1.346 -13.541 362 HA ASP 53 HA ASP 53 -4.168 1.052 -14.657 363 HB2 ASP 53 HB2 ASP 53 -5.479 0.703 -12.008 364 HB3 ASP 53 HB3 ASP 53 -5.282 2.225 -12.930 365 HA PRO 54 HA PRO 54 -0.446 0.613 -12.347 366 HB2 PRO 54 HB3 PRO 54 1.113 2.437 -13.337 367 HB3 PRO 54 HB2 PRO 54 0.539 1.000 -14.338 368 HG2 PRO 54 HG3 PRO 54 -0.558 3.834 -14.427 369 HG3 PRO 54 HG2 PRO 54 -0.039 2.856 -15.773 370 HD2 PRO 54 HD3 PRO 54 -2.697 2.981 -14.848 371 HD3 PRO 54 HD2 PRO 54 -2.052 1.461 -15.439 372 H PHE 55 H PHE 55 1.191 1.506 -10.918 373 HA PHE 55 HA PHE 55 -0.013 3.433 -9.146 374 HB2 PHE 55 HB2 PHE 55 -0.560 0.528 -8.907 375 HB3 PHE 55 HB3 PHE 55 0.199 1.177 -7.478 376 HD1 PHE 55 HD1 PHE 55 -1.140 3.148 -6.285 377 HD2 PHE 55 HD2 PHE 55 -2.764 0.659 -9.412 378 HE1 PHE 55 HE1 PHE 55 -3.389 3.942 -5.705 379 HE2 PHE 55 HE2 PHE 55 -5.059 1.468 -8.750 380 HZ PHE 55 HZ PHE 55 -5.324 3.067 -6.966 381 H GLU 56 H GLU 56 1.239 4.022 -7.416 382 HA GLU 56 HA GLU 56 3.637 2.383 -6.839 383 HB2 GLU 56 HB2 GLU 56 4.396 3.952 -8.383 384 HB3 GLU 56 HB3 GLU 56 3.828 5.310 -7.482 385 HG2 GLU 56 HG2 GLU 56 5.407 5.138 -5.753 386 HG3 GLU 56 HG3 GLU 56 5.872 3.547 -6.261 387 H VAL 57 H VAL 57 4.326 2.516 -4.828 388 HA VAL 57 HA VAL 57 3.064 4.199 -2.812 389 HB VAL 57 HB VAL 57 3.520 1.191 -2.530 390 HG11 VAL 57 HG11 VAL 57 4.210 2.646 -0.377 391 HG12 VAL 57 HG12 VAL 57 2.499 3.286 -0.483 392 HG13 VAL 57 HG13 VAL 57 2.901 1.648 -0.086 393 HG21 VAL 57 HG21 VAL 57 1.063 2.877 -2.813 394 HG22 VAL 57 HG22 VAL 57 1.611 1.390 -3.512 395 HG23 VAL 57 HG23 VAL 57 0.974 1.460 -1.805 396 H ALA 58 H ALA 58 4.821 5.447 -2.220 397 HA ALA 58 HA ALA 58 7.567 4.294 -2.145 398 HB1 ALA 58 HB1 ALA 58 8.224 6.619 -2.912 399 HB2 ALA 58 HB2 ALA 58 7.106 5.935 -4.089 400 HB3 ALA 58 HB3 ALA 58 6.613 7.144 -2.851 401 H ILE 59 H ILE 59 8.726 4.673 -0.560 402 HA ILE 59 HA ILE 59 7.493 5.915 1.840 403 HB ILE 59 HB ILE 59 8.693 3.244 1.879 404 HG12 ILE 59 HG12 ILE 59 6.112 2.827 2.659 405 HG13 ILE 59 HG13 ILE 59 5.944 4.113 1.457 406 HG21 ILE 59 HG21 ILE 59 7.275 4.476 4.123 407 HG22 ILE 59 HG22 ILE 59 8.112 2.889 3.988 408 HG23 ILE 59 HG23 ILE 59 8.988 4.445 4.182 409 HD11 ILE 59 HD11 ILE 59 7.475 1.490 1.029 410 HD12 ILE 59 HD12 ILE 59 5.705 1.680 0.732 411 HD13 ILE 59 HD13 ILE 59 6.989 2.522 -0.203 412 H ASN 60 H ASN 60 8.686 6.889 3.394 413 HA ASN 60 HA ASN 60 11.582 7.053 3.006 414 HB2 ASN 60 HB2 ASN 60 9.441 9.102 3.806 415 HB3 ASN 60 HB3 ASN 60 11.178 9.232 4.238 416 HD21 ASN 60 HD21 ASN 60 8.746 9.296 1.427 417 HD22 ASN 60 HD22 ASN 60 10.069 9.775 0.373 418 H GLY 61 H GLY 61 12.814 6.465 4.827 419 HA2 GLY 61 HA2 GLY 61 11.450 6.190 7.422 420 HA3 GLY 61 HA3 GLY 61 12.307 4.831 6.745 421 HA PRO 62 HA PRO 62 15.007 7.301 9.652 422 HB2 PRO 62 HB3 PRO 62 16.183 5.193 10.878 423 HB3 PRO 62 HB2 PRO 62 14.886 6.247 11.419 424 HG2 PRO 62 HG3 PRO 62 14.832 3.513 10.192 425 HG3 PRO 62 HG2 PRO 62 13.582 4.294 11.312 426 HD2 PRO 62 HD3 PRO 62 13.244 3.838 8.641 427 HD3 PRO 62 HD2 PRO 62 12.391 5.057 9.585 428 H ASP 63 H ASP 63 16.747 8.182 8.998 429 HA ASP 63 HA ASP 63 18.510 8.768 7.983 430 HB2 ASP 63 HB2 ASP 63 19.110 7.247 9.650 431 HB3 ASP 63 HB3 ASP 63 19.865 6.116 8.411 432 H GLY 64 H GLY 64 19.662 5.783 6.591 433 HA2 GLY 64 HA2 GLY 64 19.732 6.693 3.907 434 HA3 GLY 64 HA3 GLY 64 19.973 5.045 4.586 435 H LEU 65 H LEU 65 17.144 5.331 5.666 436 HA LEU 65 HA LEU 65 16.221 3.361 3.692 437 HB2 LEU 65 HB2 LEU 65 14.955 4.419 6.221 438 HB3 LEU 65 HB3 LEU 65 14.210 3.290 5.121 439 HG LEU 65 HG LEU 65 16.980 2.828 6.525 440 HD11 LEU 65 HD11 LEU 65 14.909 2.967 8.059 441 HD12 LEU 65 HD12 LEU 65 14.351 1.527 7.142 442 HD13 LEU 65 HD13 LEU 65 15.793 1.483 8.173 443 HD21 LEU 65 HD21 LEU 65 16.748 0.556 6.112 444 HD22 LEU 65 HD22 LEU 65 15.261 0.680 5.153 445 HD23 LEU 65 HD23 LEU 65 16.789 1.439 4.600 446 H VAL 66 H VAL 66 15.774 4.129 1.758 447 HA VAL 66 HA VAL 66 13.110 5.556 1.580 448 HB VAL 66 HB VAL 66 15.392 5.994 -0.376 449 HG11 VAL 66 HG11 VAL 66 14.041 7.392 -1.485 450 HG12 VAL 66 HG12 VAL 66 12.968 6.083 -1.252 451 HG13 VAL 66 HG13 VAL 66 12.772 7.487 -0.249 452 HG21 VAL 66 HG21 VAL 66 15.799 7.125 1.832 453 HG22 VAL 66 HG22 VAL 66 15.290 8.312 0.530 454 HG23 VAL 66 HG23 VAL 66 14.199 7.947 1.724 455 H VAL 67 H VAL 67 11.796 4.407 0.390 456 HA VAL 67 HA VAL 67 12.729 1.901 -0.832 457 HB VAL 67 HB VAL 67 10.474 1.969 1.268 458 HG11 VAL 67 HG11 VAL 67 10.850 -0.402 1.561 459 HG12 VAL 67 HG12 VAL 67 10.223 0.294 0.018 460 HG13 VAL 67 HG13 VAL 67 11.886 -0.477 0.131 461 HG21 VAL 67 HG21 VAL 67 12.489 2.507 2.598 462 HG22 VAL 67 HG22 VAL 67 11.800 0.853 2.850 463 HG23 VAL 67 HG23 VAL 67 13.262 1.063 1.947 464 H ASP 68 H ASP 68 11.190 1.108 -2.287 465 HA ASP 68 HA ASP 68 8.467 2.281 -2.191 466 HB2 ASP 68 HB2 ASP 68 7.970 2.234 -4.411 467 HB3 ASP 68 HB3 ASP 68 9.100 3.368 -4.081 468 H ALA 69 H ALA 69 6.904 0.988 -2.147 469 HA ALA 69 HA ALA 69 7.548 -1.766 -1.297 470 HB1 ALA 69 HB1 ALA 69 5.126 -1.751 -0.536 471 HB2 ALA 69 HB2 ALA 69 6.033 -0.280 0.061 472 HB3 ALA 69 HB3 ALA 69 5.026 -0.132 -1.319 473 H LYS 70 H LYS 70 6.128 -3.624 -2.032 474 HA LYS 70 HA LYS 70 6.080 -3.416 -5.000 475 HB2 LYS 70 HB2 LYS 70 6.014 -5.672 -3.032 476 HB3 LYS 70 HB3 LYS 70 5.792 -5.923 -4.790 477 HG2 LYS 70 HG2 LYS 70 8.165 -4.499 -3.759 478 HG3 LYS 70 HG3 LYS 70 8.238 -6.269 -3.974 479 HD2 LYS 70 HD2 LYS 70 7.760 -5.971 -6.464 480 HD3 LYS 70 HD3 LYS 70 7.861 -4.260 -6.252 481 HE2 LYS 70 HE2 LYS 70 10.117 -6.134 -5.554 482 HE3 LYS 70 HE3 LYS 70 9.911 -5.330 -7.082 483 HZ1 LYS 70 HZ1 LYS 70 11.248 -3.936 -5.741 484 HZ2 LYS 70 HZ2 LYS 70 9.808 -3.279 -5.909 485 HZ3 LYS 70 HZ3 LYS 70 10.210 -3.896 -4.473 486 H VAL 71 H VAL 71 4.279 -2.637 -5.855 487 HA VAL 71 HA VAL 71 1.588 -3.437 -4.782 488 HB VAL 71 HB VAL 71 2.329 -2.132 -7.347 489 HG11 VAL 71 HG11 VAL 71 0.102 -3.138 -7.386 490 HG12 VAL 71 HG12 VAL 71 -0.277 -2.335 -5.833 491 HG13 VAL 71 HG13 VAL 71 -0.116 -1.321 -7.253 492 HG21 VAL 71 HG21 VAL 71 1.883 -0.112 -6.433 493 HG22 VAL 71 HG22 VAL 71 1.035 -0.677 -4.991 494 HG23 VAL 71 HG23 VAL 71 2.800 -0.832 -5.023 495 H THR 72 H THR 72 0.524 -5.037 -5.237 496 HA THR 72 HA THR 72 0.840 -6.342 -7.941 497 HB THR 72 HB THR 72 0.090 -7.917 -5.485 498 HG1 THR 72 HG1 THR 72 2.254 -7.718 -5.310 499 HG21 THR 72 HG21 THR 72 -0.827 -8.767 -7.440 500 HG22 THR 72 HG22 THR 72 0.588 -8.688 -8.397 501 HG23 THR 72 HG23 THR 72 0.367 -9.915 -7.055 502 H ASP 73 H ASP 73 -0.743 -6.450 -9.187 503 HA ASP 73 HA ASP 73 -3.412 -5.638 -8.320 504 HB2 ASP 73 HB2 ASP 73 -2.847 -4.953 -10.345 505 HB3 ASP 73 HB3 ASP 73 -2.378 -6.706 -10.823 506 H ASN 74 H ASN 74 -4.963 -6.683 -7.590 507 HA ASN 74 HA ASN 74 -4.528 -9.453 -6.899 508 HB2 ASN 74 HB2 ASN 74 -6.588 -7.503 -5.894 509 HB3 ASN 74 HB3 ASN 74 -6.413 -9.132 -5.284 510 HD21 ASN 74 HD21 ASN 74 -6.308 -6.898 -3.555 511 HD22 ASN 74 HD22 ASN 74 -4.637 -7.073 -2.900 512 H ASN 75 H ASN 75 -5.972 -8.050 -9.519 513 HA ASN 75 HA ASN 75 -7.474 -8.583 -11.063 514 HB2 ASN 75 HB2 ASN 75 -6.877 -11.442 -10.153 515 HB3 ASN 75 HB3 ASN 75 -7.176 -10.860 -11.794 516 HD21 ASN 75 HD21 ASN 75 -5.312 -8.622 -11.999 517 HD22 ASN 75 HD22 ASN 75 -3.727 -9.405 -11.733 518 H ASP 76 H ASP 76 -8.529 -8.065 -8.563 519 HA ASP 76 HA ASP 76 -11.266 -9.141 -8.839 520 HB2 ASP 76 HB2 ASP 76 -11.367 -9.333 -6.352 521 HB3 ASP 76 HB3 ASP 76 -10.009 -10.267 -6.989 522 H GLY 77 H GLY 77 -9.447 -6.259 -8.747 523 HA2 GLY 77 HA2 GLY 77 -10.400 -4.181 -9.171 524 HA3 GLY 77 HA3 GLY 77 -11.657 -4.440 -8.060 525 H THR 78 H THR 78 -8.617 -5.625 -6.779 526 HA THR 78 HA THR 78 -7.909 -3.060 -5.558 527 HB THR 78 HB THR 78 -7.654 -4.341 -3.311 528 HG1 THR 78 HG1 THR 78 -8.293 -6.590 -4.866 529 HG21 THR 78 HG21 THR 78 -9.880 -3.556 -3.709 530 HG22 THR 78 HG22 THR 78 -10.388 -5.040 -4.445 531 HG23 THR 78 HG23 THR 78 -9.812 -5.123 -2.743 532 H TYR 79 H TYR 79 -5.803 -3.114 -4.500 533 HA TYR 79 HA TYR 79 -3.874 -4.682 -5.916 534 HB2 TYR 79 HB2 TYR 79 -4.301 -1.773 -5.374 535 HB3 TYR 79 HB3 TYR 79 -2.714 -2.206 -5.734 536 HD1 TYR 79 HD1 TYR 79 -2.403 -2.779 -8.253 537 HD2 TYR 79 HD2 TYR 79 -6.412 -1.736 -6.826 538 HE1 TYR 79 HE1 TYR 79 -3.256 -2.543 -10.504 539 HE2 TYR 79 HE2 TYR 79 -7.251 -1.832 -9.002 540 HH TYR 79 HH TYR 79 -6.689 -1.805 -11.204 541 H GLY 80 H GLY 80 -2.433 -5.444 -4.650 542 HA2 GLY 80 HA2 GLY 80 -2.335 -5.138 -1.659 543 HA3 GLY 80 HA3 GLY 80 -1.671 -6.446 -2.673 544 H VAL 81 H VAL 81 -0.812 -3.941 -0.814 545 HA VAL 81 HA VAL 81 1.733 -3.539 -2.274 546 HB VAL 81 HB VAL 81 0.610 -2.126 0.098 547 HG11 VAL 81 HG11 VAL 81 2.749 -1.314 -1.852 548 HG12 VAL 81 HG12 VAL 81 2.195 -0.263 -0.556 549 HG13 VAL 81 HG13 VAL 81 2.973 -1.846 -0.125 550 HG21 VAL 81 HG21 VAL 81 -1.023 -1.709 -1.538 551 HG22 VAL 81 HG22 VAL 81 -0.155 -0.292 -1.461 552 HG23 VAL 81 HG23 VAL 81 0.191 -1.345 -2.831 553 H VAL 82 H VAL 82 3.496 -4.708 -1.527 554 HA VAL 82 HA VAL 82 3.585 -5.110 1.454 555 HB VAL 82 HB VAL 82 3.218 -7.227 0.132 556 HG11 VAL 82 HG11 VAL 82 5.067 -8.358 -0.981 557 HG12 VAL 82 HG12 VAL 82 4.406 -6.927 -1.748 558 HG13 VAL 82 HG13 VAL 82 6.022 -6.830 -0.934 559 HG21 VAL 82 HG21 VAL 82 4.222 -7.410 2.363 560 HG22 VAL 82 HG22 VAL 82 4.818 -8.737 1.359 561 HG23 VAL 82 HG23 VAL 82 5.808 -7.323 1.705 562 H TYR 83 H TYR 83 5.277 -4.885 2.653 563 HA TYR 83 HA TYR 83 7.869 -4.343 1.581 564 HB2 TYR 83 HB2 TYR 83 8.096 -2.057 2.256 565 HB3 TYR 83 HB3 TYR 83 6.822 -2.302 1.093 566 HD1 TYR 83 HD1 TYR 83 4.500 -2.942 2.965 567 HD2 TYR 83 HD2 TYR 83 7.730 -0.165 3.606 568 HE1 TYR 83 HE1 TYR 83 2.940 -1.415 4.152 569 HE2 TYR 83 HE2 TYR 83 6.165 1.274 4.807 570 HH TYR 83 HH TYR 83 2.715 0.730 5.216 571 H ASP 84 H ASP 84 9.416 -3.444 3.555 572 HA ASP 84 HA ASP 84 8.749 -4.548 6.027 573 HB2 ASP 84 HB2 ASP 84 10.582 -6.062 6.108 574 HB3 ASP 84 HB3 ASP 84 9.169 -6.746 5.286 575 H ALA 85 H ALA 85 10.087 -4.311 7.690 576 HA ALA 85 HA ALA 85 11.722 -1.796 7.491 577 HB1 ALA 85 HB1 ALA 85 9.692 -2.600 9.558 578 HB2 ALA 85 HB2 ALA 85 10.795 -1.159 9.556 579 HB3 ALA 85 HB3 ALA 85 9.506 -1.350 8.373 580 HA PRO 86 HA PRO 86 14.408 -4.498 9.740 581 HB2 PRO 86 HB3 PRO 86 16.793 -3.438 9.216 582 HB3 PRO 86 HB2 PRO 86 15.911 -4.380 7.981 583 HG2 PRO 86 HG3 PRO 86 15.966 -1.318 8.262 584 HG3 PRO 86 HG2 PRO 86 16.336 -2.259 6.855 585 HD2 PRO 86 HD3 PRO 86 13.830 -1.279 7.303 586 HD3 PRO 86 HD2 PRO 86 13.934 -2.806 6.603 587 H VAL 87 H VAL 87 13.062 -1.830 10.670 588 HA VAL 87 HA VAL 87 14.969 -1.020 12.779 589 HB VAL 87 HB VAL 87 14.108 1.231 12.279 590 HG11 VAL 87 HG11 VAL 87 15.663 1.439 10.325 591 HG12 VAL 87 HG12 VAL 87 16.277 0.519 11.764 592 HG13 VAL 87 HG13 VAL 87 15.659 -0.333 10.290 593 HG21 VAL 87 HG21 VAL 87 13.204 1.578 9.976 594 HG22 VAL 87 HG22 VAL 87 13.022 -0.194 9.683 595 HG23 VAL 87 HG23 VAL 87 12.116 0.579 10.930 596 H GLU 88 H GLU 88 14.283 -0.433 14.782 597 HA GLU 88 HA GLU 88 11.573 0.071 15.402 598 HB2 GLU 88 HB2 GLU 88 13.431 -0.513 17.064 599 HB3 GLU 88 HB3 GLU 88 13.931 1.250 17.082 600 HG2 GLU 88 HG2 GLU 88 11.676 1.865 17.677 601 HG3 GLU 88 HG3 GLU 88 11.214 0.172 17.750 602 H GLY 89 H GLY 89 10.468 1.783 14.605 603 HA2 GLY 89 HA2 GLY 89 11.180 4.439 14.365 604 HA3 GLY 89 HA3 GLY 89 11.845 3.625 12.986 605 H ASN 90 H ASN 90 10.515 5.032 11.894 606 HA ASN 90 HA ASN 90 7.714 4.290 11.575 607 HB2 ASN 90 HB2 ASN 90 8.095 6.272 12.989 608 HB3 ASN 90 HB3 ASN 90 8.783 7.227 11.693 609 HD21 ASN 90 HD21 ASN 90 7.624 7.923 9.882 610 HD22 ASN 90 HD22 ASN 90 5.855 8.027 10.011 611 H TYR 91 H TYR 91 7.032 3.804 9.634 612 HA TYR 91 HA TYR 91 8.643 4.616 7.344 613 HB2 TYR 91 HB2 TYR 91 6.662 2.415 7.509 614 HB3 TYR 91 HB3 TYR 91 7.022 3.217 6.051 615 HD1 TYR 91 HD1 TYR 91 10.022 3.760 6.441 616 HD2 TYR 91 HD2 TYR 91 7.520 0.220 6.804 617 HE1 TYR 91 HE1 TYR 91 11.927 2.312 5.748 618 HE2 TYR 91 HE2 TYR 91 9.269 -1.092 5.928 619 HH TYR 91 HH TYR 91 11.392 -1.193 5.295 620 H ASN 92 H ASN 92 7.865 6.037 5.899 621 HA ASN 92 HA ASN 92 5.131 7.307 6.415 622 HB2 ASN 92 HB2 ASN 92 6.981 8.683 7.292 623 HB3 ASN 92 HB3 ASN 92 7.742 8.675 5.739 624 HD21 ASN 92 HD21 ASN 92 4.840 9.973 7.358 625 HD22 ASN 92 HD22 ASN 92 4.469 11.052 6.003 626 H VAL 93 H VAL 93 3.805 7.388 5.051 627 HA VAL 93 HA VAL 93 4.621 6.284 2.419 628 HB VAL 93 HB VAL 93 2.010 5.597 3.695 629 HG11 VAL 93 HG11 VAL 93 2.043 5.067 1.219 630 HG12 VAL 93 HG12 VAL 93 3.699 4.513 1.438 631 HG13 VAL 93 HG13 VAL 93 2.241 3.601 2.018 632 HG21 VAL 93 HG21 VAL 93 3.189 3.401 4.255 633 HG22 VAL 93 HG22 VAL 93 4.675 4.181 3.843 634 HG23 VAL 93 HG23 VAL 93 3.684 4.761 5.237 635 H ASN 94 H ASN 94 4.063 6.910 0.501 636 HA ASN 94 HA ASN 94 2.024 8.965 0.089 637 HB2 ASN 94 HB2 ASN 94 4.367 9.830 0.141 638 HB3 ASN 94 HB3 ASN 94 4.651 8.791 -1.347 639 HD21 ASN 94 HD21 ASN 94 5.122 10.504 -2.714 640 HD22 ASN 94 HD22 ASN 94 3.791 11.416 -3.417 641 H VAL 95 H VAL 95 0.751 8.406 -1.562 642 HA VAL 95 HA VAL 95 1.365 5.971 -3.335 643 HB VAL 95 HB VAL 95 -1.298 6.764 -2.295 644 HG11 VAL 95 HG11 VAL 95 -1.991 4.485 -2.954 645 HG12 VAL 95 HG12 VAL 95 -1.741 5.635 -4.290 646 HG13 VAL 95 HG13 VAL 95 -0.524 4.334 -3.858 647 HG21 VAL 95 HG21 VAL 95 0.326 5.744 -0.503 648 HG22 VAL 95 HG22 VAL 95 -1.128 4.799 -0.936 649 HG23 VAL 95 HG23 VAL 95 0.454 4.385 -1.528 650 H THR 96 H THR 96 0.949 6.066 -5.364 651 HA THR 96 HA THR 96 -0.348 8.421 -6.308 652 HB THR 96 HB THR 96 1.508 8.302 -8.272 653 HG1 THR 96 HG1 THR 96 2.970 7.391 -6.095 654 HG21 THR 96 HG21 THR 96 2.901 10.124 -7.023 655 HG22 THR 96 HG22 THR 96 1.175 10.271 -6.826 656 HG23 THR 96 HG23 THR 96 2.230 9.564 -5.550 657 H LEU 97 H LEU 97 -1.289 8.297 -8.543 658 HA LEU 97 HA LEU 97 -1.930 5.619 -9.444 659 HB2 LEU 97 HB2 LEU 97 -3.324 8.306 -8.866 660 HB3 LEU 97 HB3 LEU 97 -4.031 7.093 -9.979 661 HG LEU 97 HG LEU 97 -4.258 5.453 -8.066 662 HD11 LEU 97 HD11 LEU 97 -2.987 7.483 -6.366 663 HD12 LEU 97 HD12 LEU 97 -4.184 6.370 -5.833 664 HD13 LEU 97 HD13 LEU 97 -2.704 5.812 -6.863 665 HD21 LEU 97 HD21 LEU 97 -6.054 7.433 -8.838 666 HD22 LEU 97 HD22 LEU 97 -6.288 6.466 -7.324 667 HD23 LEU 97 HD23 LEU 97 -5.529 8.087 -7.445 668 H ARG 98 H ARG 98 -0.934 5.395 -11.142 669 HA ARG 98 HA ARG 98 0.284 5.896 -13.154 670 HB2 ARG 98 HB2 ARG 98 -1.845 5.611 -14.077 671 HB3 ARG 98 HB3 ARG 98 -2.113 7.379 -13.998 672 HG2 ARG 98 HG2 ARG 98 0.034 7.674 -15.238 673 HG3 ARG 98 HG3 ARG 98 0.202 5.968 -15.402 674 HD2 ARG 98 HD2 ARG 98 -2.242 7.611 -16.452 675 HD3 ARG 98 HD3 ARG 98 -0.757 6.967 -17.354 676 HE ARG 98 HE ARG 98 -2.894 5.433 -16.173 677 HH11 ARG 98 HH11 ARG 98 -0.541 5.659 -18.927 678 HH12 ARG 98 HH12 ARG 98 -1.339 4.267 -19.633 679 HH21 ARG 98 HH21 ARG 98 -3.337 3.338 -17.074 680 HH22 ARG 98 HH22 ARG 98 -2.523 2.805 -18.478 681 H GLY 99 H GLY 99 1.309 7.128 -11.088 682 HA2 GLY 99 HA2 GLY 99 2.460 8.861 -10.161 683 HA3 GLY 99 HA3 GLY 99 2.173 9.526 -11.822 684 H ASN 100 H ASN 100 -1.000 9.531 -11.003 685 HA ASN 100 HA ASN 100 -0.764 12.148 -9.885 686 HB2 ASN 100 HB2 ASN 100 -3.148 10.394 -10.186 687 HB3 ASN 100 HB3 ASN 100 -3.120 12.129 -9.934 688 HD21 ASN 100 HD21 ASN 100 -3.531 9.929 -12.359 689 HD22 ASN 100 HD22 ASN 100 -2.832 10.728 -13.685 690 HA PRO 101 HA PRO 101 -0.889 10.962 -5.513 691 HB2 PRO 101 HB3 PRO 101 -0.735 13.437 -4.322 692 HB3 PRO 101 HB2 PRO 101 0.650 12.750 -5.349 693 HG2 PRO 101 HG3 PRO 101 -1.556 14.582 -6.154 694 HG3 PRO 101 HG2 PRO 101 0.207 14.854 -6.401 695 HD2 PRO 101 HD3 PRO 101 -1.207 13.867 -8.418 696 HD3 PRO 101 HD2 PRO 101 0.406 13.270 -7.944 697 H ILE 102 H ILE 102 -2.283 11.898 -3.482 698 HA ILE 102 HA ILE 102 -4.958 12.099 -4.439 699 HB ILE 102 HB ILE 102 -5.490 9.967 -3.423 700 HG12 ILE 102 HG12 ILE 102 -2.450 9.349 -3.063 701 HG13 ILE 102 HG13 ILE 102 -3.642 9.827 -1.818 702 HG21 ILE 102 HG21 ILE 102 -5.311 10.209 -5.658 703 HG22 ILE 102 HG22 ILE 102 -3.542 9.651 -5.649 704 HG23 ILE 102 HG23 ILE 102 -4.897 8.652 -5.317 705 HD11 ILE 102 HD11 ILE 102 -4.987 7.991 -1.991 706 HD12 ILE 102 HD12 ILE 102 -4.363 7.573 -3.559 707 HD13 ILE 102 HD13 ILE 102 -3.410 7.298 -1.985 708 H LYS 103 H LYS 103 -6.295 11.567 -2.182 709 HA LYS 103 HA LYS 103 -5.863 13.942 -0.664 710 HB2 LYS 103 HB2 LYS 103 -7.936 11.865 -0.907 711 HB3 LYS 103 HB3 LYS 103 -7.981 13.015 0.429 712 HG2 LYS 103 HG2 LYS 103 -8.010 14.910 -0.923 713 HG3 LYS 103 HG3 LYS 103 -7.757 14.045 -2.411 714 HD2 LYS 103 HD2 LYS 103 -9.979 12.978 -2.189 715 HD3 LYS 103 HD3 LYS 103 -10.162 13.915 -0.690 716 HE2 LYS 103 HE2 LYS 103 -9.637 15.396 -3.260 717 HE3 LYS 103 HE3 LYS 103 -11.256 14.945 -3.001 718 HZ1 LYS 103 HZ1 LYS 103 -10.933 17.068 -2.314 719 HZ2 LYS 103 HZ2 LYS 103 -11.450 16.191 -1.059 720 HZ3 LYS 103 HZ3 LYS 103 -9.889 16.611 -1.099 721 H ASN 104 H ASN 104 -6.074 13.793 1.827 722 HA ASN 104 HA ASN 104 -5.201 13.064 3.838 723 HB2 ASN 104 HB2 ASN 104 -6.365 10.415 3.076 724 HB3 ASN 104 HB3 ASN 104 -6.102 11.069 4.706 725 HD21 ASN 104 HD21 ASN 104 -7.216 13.318 4.989 726 HD22 ASN 104 HD22 ASN 104 -8.671 13.678 4.105 727 H MET 105 H MET 105 -3.167 13.079 2.160 728 HA MET 105 HA MET 105 -1.461 10.756 2.737 729 HB2 MET 105 HB2 MET 105 -2.085 12.109 0.178 730 HB3 MET 105 HB3 MET 105 -0.435 11.613 0.423 731 HG2 MET 105 HG2 MET 105 -2.932 9.857 0.766 732 HG3 MET 105 HG3 MET 105 -1.967 9.937 -0.736 733 HE1 MET 105 HE1 MET 105 -2.893 7.707 1.651 734 HE2 MET 105 HE2 MET 105 -2.284 6.929 0.297 735 HE3 MET 105 HE3 MET 105 -1.558 6.558 1.884 736 HA PRO 106 HA PRO 106 0.948 10.413 2.605 737 HB2 PRO 106 HB3 PRO 106 3.061 10.506 4.277 738 HB3 PRO 106 HB2 PRO 106 3.117 11.087 2.542 739 HG2 PRO 106 HG3 PRO 106 3.224 12.755 4.930 740 HG3 PRO 106 HG2 PRO 106 3.804 13.064 3.297 741 HD2 PRO 106 HD3 PRO 106 1.318 13.941 4.295 742 HD3 PRO 106 HD2 PRO 106 1.915 13.999 2.549 743 H ILE 107 H ILE 107 1.107 8.682 4.124 744 HA ILE 107 HA ILE 107 0.031 9.296 6.751 745 HB ILE 107 HB ILE 107 -1.153 7.144 6.874 746 HG12 ILE 107 HG12 ILE 107 -1.547 6.066 4.704 747 HG13 ILE 107 HG13 ILE 107 -0.111 6.682 3.987 748 HG21 ILE 107 HG21 ILE 107 -2.879 7.747 5.244 749 HG22 ILE 107 HG22 ILE 107 -2.325 9.056 6.285 750 HG23 ILE 107 HG23 ILE 107 -1.832 8.978 4.578 751 HD11 ILE 107 HD11 ILE 107 1.230 5.389 5.898 752 HD12 ILE 107 HD12 ILE 107 -0.384 4.943 6.421 753 HD13 ILE 107 HD13 ILE 107 0.176 4.356 4.861 754 H ASP 108 H ASP 108 0.630 7.522 8.586 755 HA ASP 108 HA ASP 108 3.536 6.976 8.236 756 HB2 ASP 108 HB2 ASP 108 1.926 8.484 10.230 757 HB3 ASP 108 HB3 ASP 108 3.627 7.943 10.676 758 H VAL 109 H VAL 109 4.446 5.248 9.051 759 HA VAL 109 HA VAL 109 2.597 3.448 10.518 760 HB VAL 109 HB VAL 109 4.188 2.183 8.279 761 HG11 VAL 109 HG11 VAL 109 2.363 0.587 8.527 762 HG12 VAL 109 HG12 VAL 109 3.192 0.843 10.055 763 HG13 VAL 109 HG13 VAL 109 1.635 1.576 9.803 764 HG21 VAL 109 HG21 VAL 109 2.453 2.184 6.805 765 HG22 VAL 109 HG22 VAL 109 1.376 3.080 7.964 766 HG23 VAL 109 HG23 VAL 109 2.716 3.925 7.179 767 H LYS 110 H LYS 110 3.199 2.801 12.054 768 HA LYS 110 HA LYS 110 5.775 3.027 13.317 769 HB2 LYS 110 HB2 LYS 110 3.768 3.021 14.493 770 HB3 LYS 110 HB3 LYS 110 3.436 1.365 14.272 771 HG2 LYS 110 HG2 LYS 110 5.647 0.835 15.451 772 HG3 LYS 110 HG3 LYS 110 5.878 2.564 15.718 773 HD2 LYS 110 HD2 LYS 110 3.635 2.486 16.885 774 HD3 LYS 110 HD3 LYS 110 3.745 0.712 16.618 775 HE2 LYS 110 HE2 LYS 110 5.451 0.496 18.243 776 HE3 LYS 110 HE3 LYS 110 5.990 2.134 18.254 777 HZ1 LYS 110 HZ1 LYS 110 3.644 2.479 19.222 778 HZ2 LYS 110 HZ2 LYS 110 3.539 0.885 19.355 779 HZ3 LYS 110 HZ3 LYS 110 4.743 1.594 20.172 780 H CYS 111 H CYS 111 7.520 1.870 13.111 781 HA CYS 111 HA CYS 111 7.430 -1.034 12.135 782 HB2 CYS 111 HB2 CYS 111 9.747 0.980 12.125 783 HB3 CYS 111 HB3 CYS 111 9.656 -0.587 11.331 784 HG CYS 111 HG CYS 111 7.630 2.052 10.813 785 H ILE 112 H ILE 112 8.649 -2.407 12.976 786 HA ILE 112 HA ILE 112 10.602 -1.928 15.022 787 HB ILE 112 HB ILE 112 8.711 -2.010 16.362 788 HG12 ILE 112 HG12 ILE 112 9.372 -3.754 18.022 789 HG13 ILE 112 HG13 ILE 112 10.592 -4.350 16.790 790 HG21 ILE 112 HG21 ILE 112 7.357 -3.773 15.015 791 HG22 ILE 112 HG22 ILE 112 8.651 -4.927 15.460 792 HG23 ILE 112 HG23 ILE 112 7.498 -4.298 16.665 793 HD11 ILE 112 HD11 ILE 112 10.522 -1.803 18.308 794 HD12 ILE 112 HD12 ILE 112 11.728 -3.104 18.481 795 HD13 ILE 112 HD13 ILE 112 11.700 -2.083 17.040 796 H GLU 113 H GLU 113 12.261 -3.449 15.059 797 HA GLU 113 HA GLU 113 12.849 -4.821 12.675 798 HB2 GLU 113 HB2 GLU 113 14.912 -5.087 13.658 799 HB3 GLU 113 HB3 GLU 113 14.245 -3.486 13.579 800 HG2 GLU 113 HG2 GLU 113 13.912 -3.463 16.093 801 HG3 GLU 113 HG3 GLU 113 14.750 -5.014 16.120 802 H GLY 114 H GLY 114 10.643 -6.108 13.762 803 HA2 GLY 114 HA2 GLY 114 11.292 -8.542 15.086 804 HA3 GLY 114 HA3 GLY 114 9.751 -8.161 14.305 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -19.278 -11.335 -9.812 2 H2 MET 1 H2 MET 1 -18.628 -12.561 -10.652 3 H3 MET 1 H3 MET 1 -18.521 -12.582 -9.006 4 HA MET 1 HA MET 1 -17.218 -10.586 -9.038 5 HB2 MET 1 HB2 MET 1 -16.063 -12.735 -8.899 6 HB3 MET 1 HB3 MET 1 -16.132 -12.873 -10.700 7 HG2 MET 1 HG2 MET 1 -13.926 -12.204 -9.936 8 HG3 MET 1 HG3 MET 1 -14.588 -11.129 -11.056 9 HE1 MET 1 HE1 MET 1 -13.736 -11.898 -7.436 10 HE2 MET 1 HE2 MET 1 -14.281 -10.537 -6.452 11 HE3 MET 1 HE3 MET 1 -15.445 -11.594 -7.307 12 H HIS 2 H HIS 2 -17.239 -8.723 -10.025 13 HA HIS 2 HA HIS 2 -17.875 -8.393 -12.897 14 HB2 HIS 2 HB2 HIS 2 -17.173 -6.485 -10.608 15 HB3 HIS 2 HB3 HIS 2 -17.562 -5.949 -12.180 16 HD1 HIS 2 HD1 HIS 2 -19.368 -7.509 -9.098 17 HD2 HIS 2 HD2 HIS 2 -20.299 -6.031 -12.925 18 HE1 HIS 2 HE1 HIS 2 -21.814 -7.547 -9.354 19 H HIS 3 H HIS 3 -14.899 -8.683 -11.112 20 HA HIS 3 HA HIS 3 -13.534 -6.912 -12.930 21 HB2 HIS 3 HB2 HIS 3 -12.917 -7.184 -10.577 22 HB3 HIS 3 HB3 HIS 3 -12.571 -8.822 -10.857 23 HD1 HIS 3 HD1 HIS 3 -10.774 -5.530 -10.852 24 HD2 HIS 3 HD2 HIS 3 -10.442 -9.033 -13.050 25 HE1 HIS 3 HE1 HIS 3 -8.275 -5.730 -11.459 26 H HIS 4 H HIS 4 -13.340 -7.569 -15.111 27 HA HIS 4 HA HIS 4 -12.244 -10.079 -15.754 28 HB2 HIS 4 HB2 HIS 4 -14.444 -10.992 -15.412 29 HB3 HIS 4 HB3 HIS 4 -15.220 -9.581 -16.195 30 HD1 HIS 4 HD1 HIS 4 -16.391 -10.710 -18.183 31 HD2 HIS 4 HD2 HIS 4 -12.361 -11.791 -17.413 32 HE1 HIS 4 HE1 HIS 4 -15.692 -12.365 -20.046 33 H HIS 5 H HIS 5 -10.817 -9.525 -17.207 34 HA HIS 5 HA HIS 5 -10.973 -7.182 -18.793 35 HB2 HIS 5 HB2 HIS 5 -9.191 -9.540 -19.212 36 HB3 HIS 5 HB3 HIS 5 -9.199 -8.034 -20.224 37 HD1 HIS 5 HD1 HIS 5 -8.056 -5.861 -19.221 38 HD2 HIS 5 HD2 HIS 5 -8.439 -9.172 -16.669 39 HE1 HIS 5 HE1 HIS 5 -6.447 -5.473 -17.202 40 H HIS 6 H HIS 6 -11.870 -6.709 -20.646 41 HA HIS 6 HA HIS 6 -12.900 -8.973 -22.377 42 HB2 HIS 6 HB2 HIS 6 -14.552 -7.942 -20.544 43 HB3 HIS 6 HB3 HIS 6 -14.536 -6.572 -21.597 44 HD1 HIS 6 HD1 HIS 6 -14.975 -10.316 -22.653 45 HD2 HIS 6 HD2 HIS 6 -16.964 -6.642 -22.629 46 HE1 HIS 6 HE1 HIS 6 -17.220 -10.613 -23.785 47 H HIS 7 H HIS 7 -11.284 -5.858 -22.070 48 HA HIS 7 HA HIS 7 -11.600 -5.244 -25.026 49 HB2 HIS 7 HB2 HIS 7 -11.874 -3.488 -22.562 50 HB3 HIS 7 HB3 HIS 7 -12.032 -3.018 -24.243 51 HD1 HIS 7 HD1 HIS 7 -14.387 -2.899 -21.797 52 HD2 HIS 7 HD2 HIS 7 -14.260 -5.054 -25.414 53 HE1 HIS 7 HE1 HIS 7 -16.706 -3.344 -22.400 54 H ALA 8 H ALA 8 -10.253 -3.721 -25.761 55 HA ALA 8 HA ALA 8 -7.621 -3.559 -24.618 56 HB1 ALA 8 HB1 ALA 8 -8.077 -3.456 -27.059 57 HB2 ALA 8 HB2 ALA 8 -8.934 -1.907 -26.843 58 HB3 ALA 8 HB3 ALA 8 -7.191 -2.031 -26.549 59 H SER 9 H SER 9 -10.422 -1.326 -24.590 60 HA SER 9 HA SER 9 -8.642 0.518 -23.079 61 HB2 SER 9 HB2 SER 9 -11.110 0.780 -24.820 62 HB3 SER 9 HB3 SER 9 -10.791 2.083 -23.606 63 HG SER 9 HG SER 9 -9.393 2.799 -25.035 64 H LYS 10 H LYS 10 -9.040 1.476 -21.197 65 HA LYS 10 HA LYS 10 -11.221 0.240 -19.576 66 HB2 LYS 10 HB2 LYS 10 -8.367 0.950 -18.686 67 HB3 LYS 10 HB3 LYS 10 -9.603 0.160 -17.729 68 HG2 LYS 10 HG2 LYS 10 -9.424 -1.845 -19.276 69 HG3 LYS 10 HG3 LYS 10 -8.240 -0.958 -20.127 70 HD2 LYS 10 HD2 LYS 10 -8.098 -1.713 -17.116 71 HD3 LYS 10 HD3 LYS 10 -7.332 -2.608 -18.394 72 HE2 LYS 10 HE2 LYS 10 -6.102 -0.742 -19.251 73 HE3 LYS 10 HE3 LYS 10 -6.747 0.300 -17.970 74 HZ1 LYS 10 HZ1 LYS 10 -4.584 -0.731 -17.475 75 HZ2 LYS 10 HZ2 LYS 10 -5.705 -0.798 -16.346 76 HZ3 LYS 10 HZ3 LYS 10 -5.421 -2.188 -17.199 77 HA PRO 11 HA PRO 11 -11.533 4.471 -17.911 78 HB2 PRO 11 HB3 PRO 11 -13.308 4.240 -15.946 79 HB3 PRO 11 HB2 PRO 11 -13.798 3.949 -17.595 80 HG2 PRO 11 HG3 PRO 11 -13.087 1.887 -15.525 81 HG3 PRO 11 HG2 PRO 11 -14.434 1.865 -16.752 82 HD2 PRO 11 HD3 PRO 11 -11.810 0.755 -16.961 83 HD3 PRO 11 HD2 PRO 11 -12.951 0.956 -18.376 84 H ALA 12 H ALA 12 -10.882 5.835 -16.575 85 HA ALA 12 HA ALA 12 -8.578 5.045 -15.032 86 HB1 ALA 12 HB1 ALA 12 -8.684 7.157 -16.359 87 HB2 ALA 12 HB2 ALA 12 -9.901 7.727 -15.254 88 HB3 ALA 12 HB3 ALA 12 -8.211 7.380 -14.657 89 HA PRO 13 HA PRO 13 -10.213 4.821 -10.767 90 HB2 PRO 13 HB3 PRO 13 -7.263 4.771 -10.395 91 HB3 PRO 13 HB2 PRO 13 -8.637 3.707 -9.663 92 HG2 PRO 13 HG3 PRO 13 -7.030 2.676 -11.461 93 HG3 PRO 13 HG2 PRO 13 -8.844 2.564 -11.671 94 HD2 PRO 13 HD3 PRO 13 -7.002 4.786 -12.780 95 HD3 PRO 13 HD2 PRO 13 -8.003 3.625 -13.678 96 H SER 14 H SER 14 -10.452 6.379 -9.117 97 HA SER 14 HA SER 14 -9.248 9.028 -9.694 98 HB2 SER 14 HB2 SER 14 -11.727 8.365 -10.259 99 HB3 SER 14 HB3 SER 14 -12.036 8.674 -8.637 100 HG SER 14 HG SER 14 -11.597 10.458 -10.514 101 H ALA 15 H ALA 15 -9.078 10.549 -8.168 102 HA ALA 15 HA ALA 15 -8.026 9.626 -5.707 103 HB1 ALA 15 HB1 ALA 15 -7.601 12.074 -5.424 104 HB2 ALA 15 HB2 ALA 15 -7.823 11.904 -7.178 105 HB3 ALA 15 HB3 ALA 15 -9.127 12.468 -6.058 106 H GLU 16 H GLU 16 -11.457 11.198 -6.185 107 HA GLU 16 HA GLU 16 -12.461 10.938 -3.863 108 HB2 GLU 16 HB2 GLU 16 -13.624 10.345 -6.544 109 HB3 GLU 16 HB3 GLU 16 -14.585 10.567 -5.101 110 HG2 GLU 16 HG2 GLU 16 -12.877 12.648 -6.470 111 HG3 GLU 16 HG3 GLU 16 -14.474 12.544 -6.405 112 H HIS 17 H HIS 17 -11.716 8.434 -6.162 113 HA HIS 17 HA HIS 17 -13.107 6.277 -4.757 114 HB2 HIS 17 HB2 HIS 17 -12.558 6.684 -7.741 115 HB3 HIS 17 HB3 HIS 17 -13.598 5.435 -6.857 116 HD1 HIS 17 HD1 HIS 17 -15.667 6.763 -5.195 117 HD2 HIS 17 HD2 HIS 17 -14.359 8.549 -8.796 118 HE1 HIS 17 HE1 HIS 17 -17.054 8.842 -5.673 119 H SER 18 H SER 18 -10.198 6.848 -4.580 120 HA SER 18 HA SER 18 -9.398 4.021 -4.335 121 HB2 SER 18 HB2 SER 18 -8.569 5.177 -6.550 122 HB3 SER 18 HB3 SER 18 -7.574 6.092 -5.433 123 HG SER 18 HG SER 18 -6.775 3.952 -4.607 124 H TYR 19 H TYR 19 -8.640 3.381 -2.789 125 HA TYR 19 HA TYR 19 -7.304 5.092 -1.010 126 HB2 TYR 19 HB2 TYR 19 -10.246 4.275 -0.496 127 HB3 TYR 19 HB3 TYR 19 -9.292 4.438 0.885 128 HD1 TYR 19 HD1 TYR 19 -11.056 6.109 -1.659 129 HD2 TYR 19 HD2 TYR 19 -7.993 6.650 1.313 130 HE1 TYR 19 HE1 TYR 19 -11.693 8.450 -1.582 131 HE2 TYR 19 HE2 TYR 19 -8.477 9.078 1.308 132 HH TYR 19 HH TYR 19 -10.171 10.625 0.942 133 H ALA 20 H ALA 20 -6.464 3.857 0.810 134 HA ALA 20 HA ALA 20 -6.668 0.933 0.473 135 HB1 ALA 20 HB1 ALA 20 -4.025 2.487 1.035 136 HB2 ALA 20 HB2 ALA 20 -4.212 0.742 0.548 137 HB3 ALA 20 HB3 ALA 20 -4.576 1.984 -0.592 138 H GLU 21 H GLU 21 -6.223 -0.499 2.085 139 HA GLU 21 HA GLU 21 -6.110 0.419 4.841 140 HB2 GLU 21 HB2 GLU 21 -8.157 -0.921 5.294 141 HB3 GLU 21 HB3 GLU 21 -8.480 0.283 4.072 142 HG2 GLU 21 HG2 GLU 21 -8.353 -1.599 2.334 143 HG3 GLU 21 HG3 GLU 21 -8.170 -2.782 3.697 144 H GLY 22 H GLY 22 -5.409 -1.085 6.241 145 HA2 GLY 22 HA2 GLY 22 -5.543 -3.705 6.848 146 HA3 GLY 22 HA3 GLY 22 -4.617 -3.824 5.487 147 H GLU 23 H GLU 23 -3.437 -4.890 7.360 148 HA GLU 23 HA GLU 23 -2.286 -3.203 9.119 149 HB2 GLU 23 HB2 GLU 23 -2.985 -5.676 9.449 150 HB3 GLU 23 HB3 GLU 23 -1.289 -5.882 8.967 151 HG2 GLU 23 HG2 GLU 23 -0.778 -4.235 10.959 152 HG3 GLU 23 HG3 GLU 23 -2.550 -4.460 11.321 153 H GLY 24 H GLY 24 -0.786 -3.993 6.223 154 HA2 GLY 24 HA2 GLY 24 1.783 -2.732 6.940 155 HA3 GLY 24 HA3 GLY 24 1.055 -3.118 5.278 156 H LEU 25 H LEU 25 -1.153 -1.253 6.960 157 HA LEU 25 HA LEU 25 0.417 1.150 6.890 158 HB2 LEU 25 HB2 LEU 25 -2.617 0.771 6.679 159 HB3 LEU 25 HB3 LEU 25 -1.824 2.342 6.615 160 HG LEU 25 HG LEU 25 -1.475 0.279 4.594 161 HD11 LEU 25 HD11 LEU 25 -3.667 1.511 4.329 162 HD12 LEU 25 HD12 LEU 25 -2.836 3.080 4.560 163 HD13 LEU 25 HD13 LEU 25 -2.575 2.157 3.162 164 HD21 LEU 25 HD21 LEU 25 -0.394 2.452 3.471 165 HD22 LEU 25 HD22 LEU 25 -0.253 2.983 5.031 166 HD23 LEU 25 HD23 LEU 25 0.675 1.520 4.659 167 H VAL 26 H VAL 26 -0.012 -0.972 9.049 168 HA VAL 26 HA VAL 26 -0.433 1.001 11.277 169 HB VAL 26 HB VAL 26 -1.312 -1.761 11.418 170 HG11 VAL 26 HG11 VAL 26 -0.806 -0.746 13.514 171 HG12 VAL 26 HG12 VAL 26 -1.992 0.581 13.299 172 HG13 VAL 26 HG13 VAL 26 -2.450 -1.080 13.435 173 HG21 VAL 26 HG21 VAL 26 -2.899 0.680 10.520 174 HG22 VAL 26 HG22 VAL 26 -2.790 -0.952 9.781 175 HG23 VAL 26 HG23 VAL 26 -3.674 -0.848 11.267 176 H LYS 27 H LYS 27 1.191 -2.179 10.559 177 HA LYS 27 HA LYS 27 3.386 -1.284 12.102 178 HB2 LYS 27 HB2 LYS 27 3.171 -2.915 13.936 179 HB3 LYS 27 HB3 LYS 27 1.742 -1.811 13.866 180 HG2 LYS 27 HG2 LYS 27 0.517 -3.656 12.694 181 HG3 LYS 27 HG3 LYS 27 1.835 -4.697 12.868 182 HD2 LYS 27 HD2 LYS 27 1.783 -4.407 15.372 183 HD3 LYS 27 HD3 LYS 27 0.332 -3.442 15.282 184 HE2 LYS 27 HE2 LYS 27 -0.422 -5.683 15.634 185 HE3 LYS 27 HE3 LYS 27 -0.911 -5.171 14.066 186 HZ1 LYS 27 HZ1 LYS 27 1.429 -6.947 14.663 187 HZ2 LYS 27 HZ2 LYS 27 0.035 -7.427 13.990 188 HZ3 LYS 27 HZ3 LYS 27 0.996 -6.473 13.168 189 H VAL 28 H VAL 28 5.236 -2.103 11.532 190 HA VAL 28 HA VAL 28 5.101 -4.258 9.609 191 HB VAL 28 HB VAL 28 6.163 -1.502 9.024 192 HG11 VAL 28 HG11 VAL 28 7.559 -3.056 7.804 193 HG12 VAL 28 HG12 VAL 28 6.219 -4.039 7.280 194 HG13 VAL 28 HG13 VAL 28 6.456 -2.320 6.685 195 HG21 VAL 28 HG21 VAL 28 3.674 -2.838 8.079 196 HG22 VAL 28 HG22 VAL 28 3.708 -1.444 9.076 197 HG23 VAL 28 HG23 VAL 28 4.353 -1.438 7.366 198 H PHE 29 H PHE 29 6.784 -5.607 9.627 199 HA PHE 29 HA PHE 29 9.089 -4.817 11.242 200 HB2 PHE 29 HB2 PHE 29 7.987 -7.669 11.038 201 HB3 PHE 29 HB3 PHE 29 8.895 -6.804 12.345 202 HD1 PHE 29 HD1 PHE 29 7.911 -5.343 13.991 203 HD2 PHE 29 HD2 PHE 29 5.591 -7.123 10.812 204 HE1 PHE 29 HE1 PHE 29 5.845 -4.770 15.120 205 HE2 PHE 29 HE2 PHE 29 3.496 -6.552 11.946 206 HZ PHE 29 HZ PHE 29 3.641 -5.483 14.158 207 H ASP 30 H ASP 30 10.605 -7.430 10.881 208 HA ASP 30 HA ASP 30 11.975 -6.246 8.564 209 HB2 ASP 30 HB2 ASP 30 12.895 -6.123 10.904 210 HB3 ASP 30 HB3 ASP 30 13.037 -7.801 11.035 211 H ASN 31 H ASN 31 11.401 -9.515 10.280 212 HA ASN 31 HA ASN 31 11.959 -10.963 7.772 213 HB2 ASN 31 HB2 ASN 31 11.804 -11.786 10.542 214 HB3 ASN 31 HB3 ASN 31 12.137 -12.736 9.078 215 HD21 ASN 31 HD21 ASN 31 13.549 -10.004 11.064 216 HD22 ASN 31 HD22 ASN 31 15.124 -10.139 10.257 217 H ALA 32 H ALA 32 9.370 -9.400 9.219 218 HA ALA 32 HA ALA 32 7.381 -11.453 8.193 219 HB1 ALA 32 HB1 ALA 32 7.291 -11.393 10.602 220 HB2 ALA 32 HB2 ALA 32 6.963 -9.655 10.538 221 HB3 ALA 32 HB3 ALA 32 5.784 -10.670 9.805 222 HA PRO 33 HA PRO 33 7.268 -7.623 5.647 223 HB2 PRO 33 HB3 PRO 33 6.155 -9.749 3.786 224 HB3 PRO 33 HB2 PRO 33 7.152 -8.466 3.287 225 HG2 PRO 33 HG3 PRO 33 8.507 -10.680 3.618 226 HG3 PRO 33 HG2 PRO 33 9.090 -9.173 4.425 227 HD2 PRO 33 HD3 PRO 33 7.270 -11.346 5.505 228 HD3 PRO 33 HD2 PRO 33 8.813 -10.854 6.232 229 H ALA 34 H ALA 34 5.692 -6.299 5.651 230 HA ALA 34 HA ALA 34 2.816 -7.044 6.104 231 HB1 ALA 34 HB1 ALA 34 4.140 -5.349 7.684 232 HB2 ALA 34 HB2 ALA 34 3.893 -4.314 6.223 233 HB3 ALA 34 HB3 ALA 34 2.511 -4.980 7.212 234 H GLU 35 H GLU 35 1.050 -6.225 5.446 235 HA GLU 35 HA GLU 35 1.280 -5.564 2.616 236 HB2 GLU 35 HB2 GLU 35 -0.097 -7.831 4.059 237 HB3 GLU 35 HB3 GLU 35 -0.493 -7.413 2.456 238 HG2 GLU 35 HG2 GLU 35 2.005 -7.827 1.748 239 HG3 GLU 35 HG3 GLU 35 2.128 -8.558 3.401 240 H PHE 36 H PHE 36 -0.906 -4.936 1.666 241 HA PHE 36 HA PHE 36 -3.080 -4.370 3.000 242 HB2 PHE 36 HB2 PHE 36 -3.082 -2.109 3.568 243 HB3 PHE 36 HB3 PHE 36 -1.566 -2.576 4.355 244 HD1 PHE 36 HD1 PHE 36 -2.988 -0.377 1.980 245 HD2 PHE 36 HD2 PHE 36 0.654 -2.333 3.189 246 HE1 PHE 36 HE1 PHE 36 -1.601 1.325 0.762 247 HE2 PHE 36 HE2 PHE 36 1.976 -0.588 1.969 248 HZ PHE 36 HZ PHE 36 0.781 1.162 0.651 249 H THR 37 H THR 37 -4.323 -2.987 1.955 250 HA THR 37 HA THR 37 -4.117 -3.535 -0.907 251 HB THR 37 HB THR 37 -6.428 -3.933 0.999 252 HG1 THR 37 HG1 THR 37 -5.899 -6.226 0.401 253 HG21 THR 37 HG21 THR 37 -7.513 -3.709 -1.010 254 HG22 THR 37 HG22 THR 37 -6.270 -4.679 -1.887 255 HG23 THR 37 HG23 THR 37 -7.438 -5.449 -0.755 256 H ILE 38 H ILE 38 -4.658 -2.192 -2.281 257 HA ILE 38 HA ILE 38 -6.013 0.430 -1.802 258 HB ILE 38 HB ILE 38 -4.994 -0.394 -4.419 259 HG12 ILE 38 HG12 ILE 38 -3.298 0.792 -2.238 260 HG13 ILE 38 HG13 ILE 38 -3.002 -0.770 -2.854 261 HG21 ILE 38 HG21 ILE 38 -4.945 1.628 -5.022 262 HG22 ILE 38 HG22 ILE 38 -6.429 1.684 -4.064 263 HG23 ILE 38 HG23 ILE 38 -4.914 2.365 -3.423 264 HD11 ILE 38 HD11 ILE 38 -2.333 1.840 -4.112 265 HD12 ILE 38 HD12 ILE 38 -1.278 0.481 -3.773 266 HD13 ILE 38 HD13 ILE 38 -2.493 0.391 -5.098 267 H PHE 39 H PHE 39 -8.146 0.122 -1.628 268 HA PHE 39 HA PHE 39 -9.627 -1.424 -3.658 269 HB2 PHE 39 HB2 PHE 39 -11.665 -0.804 -2.338 270 HB3 PHE 39 HB3 PHE 39 -10.516 -1.606 -1.405 271 HD1 PHE 39 HD1 PHE 39 -12.326 1.514 -1.729 272 HD2 PHE 39 HD2 PHE 39 -8.926 -0.243 0.274 273 HE1 PHE 39 HE1 PHE 39 -12.600 3.060 0.251 274 HE2 PHE 39 HE2 PHE 39 -9.208 1.372 2.062 275 HZ PHE 39 HZ PHE 39 -11.080 2.958 2.116 276 H ALA 40 H ALA 40 -9.970 -0.789 -5.462 277 HA ALA 40 HA ALA 40 -10.247 2.105 -6.090 278 HB1 ALA 40 HB1 ALA 40 -8.168 1.223 -7.099 279 HB2 ALA 40 HB2 ALA 40 -9.083 -0.179 -7.715 280 HB3 ALA 40 HB3 ALA 40 -9.421 1.555 -8.273 281 H VAL 41 H VAL 41 -11.779 3.033 -6.817 282 HA VAL 41 HA VAL 41 -13.745 1.675 -8.618 283 HB VAL 41 HB VAL 41 -14.201 3.536 -6.410 284 HG11 VAL 41 HG11 VAL 41 -15.317 4.636 -8.188 285 HG12 VAL 41 HG12 VAL 41 -15.999 3.078 -8.818 286 HG13 VAL 41 HG13 VAL 41 -16.555 3.892 -7.285 287 HG21 VAL 41 HG21 VAL 41 -15.851 2.215 -5.568 288 HG22 VAL 41 HG22 VAL 41 -15.962 1.209 -7.043 289 HG23 VAL 41 HG23 VAL 41 -14.495 1.128 -5.998 290 H ASP 42 H ASP 42 -14.415 2.834 -10.435 291 HA ASP 42 HA ASP 42 -12.383 4.807 -11.305 292 HB2 ASP 42 HB2 ASP 42 -14.024 4.988 -13.304 293 HB3 ASP 42 HB3 ASP 42 -13.027 3.531 -13.061 294 H THR 43 H THR 43 -15.765 4.800 -10.858 295 HA THR 43 HA THR 43 -16.404 7.198 -9.644 296 HB THR 43 HB THR 43 -17.666 8.221 -11.600 297 HG1 THR 43 HG1 THR 43 -16.786 7.854 -13.614 298 HG21 THR 43 HG21 THR 43 -14.750 8.577 -12.058 299 HG22 THR 43 HG22 THR 43 -16.069 9.609 -12.613 300 HG23 THR 43 HG23 THR 43 -15.823 9.377 -10.832 301 H LYS 44 H LYS 44 -17.288 4.365 -11.435 302 HA LYS 44 HA LYS 44 -20.142 5.069 -11.146 303 HB2 LYS 44 HB2 LYS 44 -19.063 2.590 -12.449 304 HB3 LYS 44 HB3 LYS 44 -20.683 3.333 -12.621 305 HG2 LYS 44 HG2 LYS 44 -18.120 4.658 -13.655 306 HG3 LYS 44 HG3 LYS 44 -19.333 3.817 -14.580 307 HD2 LYS 44 HD2 LYS 44 -21.053 5.250 -14.227 308 HD3 LYS 44 HD3 LYS 44 -20.098 6.179 -12.969 309 HE2 LYS 44 HE2 LYS 44 -18.552 6.880 -14.497 310 HE3 LYS 44 HE3 LYS 44 -19.230 5.854 -15.847 311 HZ1 LYS 44 HZ1 LYS 44 -20.455 8.317 -14.576 312 HZ2 LYS 44 HZ2 LYS 44 -20.062 8.059 -16.092 313 HZ3 LYS 44 HZ3 LYS 44 -21.337 7.238 -15.392 314 H GLY 45 H GLY 45 -18.767 4.469 -8.671 315 HA2 GLY 45 HA2 GLY 45 -19.232 3.386 -6.742 316 HA3 GLY 45 HA3 GLY 45 -20.625 2.942 -7.583 317 H VAL 46 H VAL 46 -19.614 1.035 -9.399 318 HA VAL 46 HA VAL 46 -18.980 -1.329 -7.633 319 HB VAL 46 HB VAL 46 -19.275 -1.072 -10.630 320 HG11 VAL 46 HG11 VAL 46 -19.553 -3.392 -10.827 321 HG12 VAL 46 HG12 VAL 46 -17.947 -3.114 -10.068 322 HG13 VAL 46 HG13 VAL 46 -19.322 -3.667 -9.105 323 HG21 VAL 46 HG21 VAL 46 -21.146 -2.378 -8.648 324 HG22 VAL 46 HG22 VAL 46 -21.266 -0.661 -9.311 325 HG23 VAL 46 HG23 VAL 46 -21.253 -2.042 -10.454 326 H ALA 47 H ALA 47 -17.082 -2.281 -7.356 327 HA ALA 47 HA ALA 47 -14.547 -0.888 -7.531 328 HB1 ALA 47 HB1 ALA 47 -14.975 -2.891 -6.001 329 HB2 ALA 47 HB2 ALA 47 -15.422 -3.805 -7.376 330 HB3 ALA 47 HB3 ALA 47 -13.703 -3.232 -7.151 331 H ARG 48 H ARG 48 -12.653 -1.531 -8.626 332 HA ARG 48 HA ARG 48 -13.041 -1.034 -11.453 333 HB2 ARG 48 HB2 ARG 48 -10.558 -1.924 -9.928 334 HB3 ARG 48 HB3 ARG 48 -10.572 -1.634 -11.621 335 HG2 ARG 48 HG2 ARG 48 -11.586 0.536 -9.887 336 HG3 ARG 48 HG3 ARG 48 -9.845 0.338 -10.334 337 HD2 ARG 48 HD2 ARG 48 -12.147 0.682 -12.200 338 HD3 ARG 48 HD3 ARG 48 -10.966 1.929 -11.590 339 HE ARG 48 HE ARG 48 -9.257 0.658 -12.935 340 HH11 ARG 48 HH11 ARG 48 -12.609 -0.310 -14.075 341 HH12 ARG 48 HH12 ARG 48 -11.830 -0.834 -15.534 342 HH21 ARG 48 HH21 ARG 48 -8.588 -0.048 -14.840 343 HH22 ARG 48 HH22 ARG 48 -9.808 -0.749 -15.871 344 H THR 49 H THR 49 -13.825 -2.105 -12.975 345 HA THR 49 HA THR 49 -14.307 -4.803 -12.673 346 HB THR 49 HB THR 49 -15.782 -4.681 -14.438 347 HG1 THR 49 HG1 THR 49 -16.065 -2.886 -15.622 348 HG21 THR 49 HG21 THR 49 -15.972 -2.125 -12.755 349 HG22 THR 49 HG22 THR 49 -17.304 -2.859 -13.549 350 HG23 THR 49 HG23 THR 49 -16.542 -3.670 -12.188 351 H ASP 50 H ASP 50 -11.618 -3.507 -13.947 352 HA ASP 50 HA ASP 50 -10.602 -5.942 -14.987 353 HB2 ASP 50 HB2 ASP 50 -9.765 -4.828 -17.121 354 HB3 ASP 50 HB3 ASP 50 -11.415 -5.428 -17.051 355 H GLY 51 H GLY 51 -8.215 -5.557 -15.553 356 HA2 GLY 51 HA2 GLY 51 -7.247 -4.267 -13.116 357 HA3 GLY 51 HA3 GLY 51 -6.928 -5.872 -13.855 358 H GLY 52 H GLY 52 -4.686 -4.774 -13.107 359 HA2 GLY 52 HA2 GLY 52 -2.552 -4.182 -13.825 360 HA3 GLY 52 HA3 GLY 52 -3.259 -4.332 -15.491 361 H ASP 53 H ASP 53 -4.748 -1.904 -13.485 362 HA ASP 53 HA ASP 53 -3.677 0.410 -14.792 363 HB2 ASP 53 HB2 ASP 53 -5.098 0.559 -12.149 364 HB3 ASP 53 HB3 ASP 53 -4.850 1.743 -13.371 365 HA PRO 54 HA PRO 54 0.138 0.949 -12.511 366 HB2 PRO 54 HB3 PRO 54 0.725 3.472 -13.066 367 HB3 PRO 54 HB2 PRO 54 0.754 2.263 -14.399 368 HG2 PRO 54 HG3 PRO 54 -1.334 4.186 -13.639 369 HG3 PRO 54 HG2 PRO 54 -0.803 3.748 -15.326 370 HD2 PRO 54 HD3 PRO 54 -3.010 2.834 -14.466 371 HD3 PRO 54 HD2 PRO 54 -1.803 1.803 -15.346 372 H PHE 55 H PHE 55 0.236 0.835 -10.345 373 HA PHE 55 HA PHE 55 -0.087 3.336 -8.822 374 HB2 PHE 55 HB2 PHE 55 -1.161 0.506 -8.350 375 HB3 PHE 55 HB3 PHE 55 -0.785 1.505 -6.994 376 HD1 PHE 55 HD1 PHE 55 -2.181 3.176 -6.153 377 HD2 PHE 55 HD2 PHE 55 -3.058 0.992 -9.711 378 HE1 PHE 55 HE1 PHE 55 -4.479 4.203 -6.115 379 HE2 PHE 55 HE2 PHE 55 -5.393 1.920 -9.695 380 HZ PHE 55 HZ PHE 55 -5.995 3.569 -7.926 381 H GLU 56 H GLU 56 0.808 3.355 -6.872 382 HA GLU 56 HA GLU 56 3.277 1.941 -6.424 383 HB2 GLU 56 HB2 GLU 56 4.211 3.311 -8.151 384 HB3 GLU 56 HB3 GLU 56 3.166 4.725 -7.649 385 HG2 GLU 56 HG2 GLU 56 4.691 5.251 -6.024 386 HG3 GLU 56 HG3 GLU 56 5.509 3.708 -5.854 387 H VAL 57 H VAL 57 4.284 2.450 -4.616 388 HA VAL 57 HA VAL 57 3.052 4.237 -2.718 389 HB VAL 57 HB VAL 57 3.861 1.494 -1.620 390 HG11 VAL 57 HG11 VAL 57 3.655 3.432 -0.148 391 HG12 VAL 57 HG12 VAL 57 1.921 3.573 -0.683 392 HG13 VAL 57 HG13 VAL 57 2.591 2.108 0.172 393 HG21 VAL 57 HG21 VAL 57 1.100 2.459 -2.512 394 HG22 VAL 57 HG22 VAL 57 1.826 0.960 -3.201 395 HG23 VAL 57 HG23 VAL 57 1.221 1.229 -1.480 396 H ALA 58 H ALA 58 4.433 5.432 -1.840 397 HA ALA 58 HA ALA 58 7.370 4.843 -2.117 398 HB1 ALA 58 HB1 ALA 58 6.196 6.223 -3.806 399 HB2 ALA 58 HB2 ALA 58 5.909 7.453 -2.542 400 HB3 ALA 58 HB3 ALA 58 7.604 6.964 -3.104 401 H ILE 59 H ILE 59 8.545 5.036 -0.615 402 HA ILE 59 HA ILE 59 7.527 5.891 2.027 403 HB ILE 59 HB ILE 59 9.047 3.332 1.525 404 HG12 ILE 59 HG12 ILE 59 6.873 2.219 2.371 405 HG13 ILE 59 HG13 ILE 59 6.073 3.610 1.802 406 HG21 ILE 59 HG21 ILE 59 7.865 4.514 4.003 407 HG22 ILE 59 HG22 ILE 59 8.517 2.816 3.762 408 HG23 ILE 59 HG23 ILE 59 9.594 4.155 3.596 409 HD11 ILE 59 HD11 ILE 59 7.706 1.641 0.284 410 HD12 ILE 59 HD12 ILE 59 5.888 2.058 0.174 411 HD13 ILE 59 HD13 ILE 59 7.113 3.204 -0.427 412 H ASN 60 H ASN 60 8.772 6.912 3.296 413 HA ASN 60 HA ASN 60 11.679 6.742 3.033 414 HB2 ASN 60 HB2 ASN 60 10.043 9.231 3.597 415 HB3 ASN 60 HB3 ASN 60 11.684 9.102 4.188 416 HD21 ASN 60 HD21 ASN 60 13.217 8.445 2.366 417 HD22 ASN 60 HD22 ASN 60 13.085 9.479 0.866 418 H GLY 61 H GLY 61 12.358 5.616 4.731 419 HA2 GLY 61 HA2 GLY 61 11.084 6.033 7.341 420 HA3 GLY 61 HA3 GLY 61 12.308 4.748 6.999 421 HA PRO 62 HA PRO 62 14.573 8.308 8.824 422 HB2 PRO 62 HB3 PRO 62 16.005 6.956 10.664 423 HB3 PRO 62 HB2 PRO 62 14.365 7.650 10.788 424 HG2 PRO 62 HG3 PRO 62 15.358 4.835 10.175 425 HG3 PRO 62 HG2 PRO 62 14.068 5.263 11.378 426 HD2 PRO 62 HD3 PRO 62 13.209 4.439 9.016 427 HD3 PRO 62 HD2 PRO 62 12.431 5.834 9.709 428 H ASP 63 H ASP 63 16.205 9.242 7.871 429 HA ASP 63 HA ASP 63 17.614 9.693 6.322 430 HB2 ASP 63 HB2 ASP 63 19.113 7.880 8.102 431 HB3 ASP 63 HB3 ASP 63 19.858 9.025 6.985 432 H GLY 64 H GLY 64 19.364 6.683 6.516 433 HA2 GLY 64 HA2 GLY 64 19.863 6.589 3.731 434 HA3 GLY 64 HA3 GLY 64 20.088 5.355 4.963 435 H LEU 65 H LEU 65 17.157 5.307 5.539 436 HA LEU 65 HA LEU 65 16.142 3.554 3.520 437 HB2 LEU 65 HB2 LEU 65 15.023 4.495 6.084 438 HB3 LEU 65 HB3 LEU 65 14.344 3.145 5.139 439 HG LEU 65 HG LEU 65 17.127 2.846 6.230 440 HD11 LEU 65 HD11 LEU 65 15.396 2.848 8.023 441 HD12 LEU 65 HD12 LEU 65 14.590 1.457 7.151 442 HD13 LEU 65 HD13 LEU 65 16.322 1.350 7.755 443 HD21 LEU 65 HD21 LEU 65 15.266 1.163 4.609 444 HD22 LEU 65 HD22 LEU 65 16.867 1.748 4.233 445 HD23 LEU 65 HD23 LEU 65 16.629 0.510 5.487 446 H VAL 66 H VAL 66 16.335 5.097 1.948 447 HA VAL 66 HA VAL 66 13.484 5.857 1.155 448 HB VAL 66 HB VAL 66 15.964 5.500 -0.577 449 HG11 VAL 66 HG11 VAL 66 13.631 6.977 -1.533 450 HG12 VAL 66 HG12 VAL 66 14.835 6.161 -2.325 451 HG13 VAL 66 HG13 VAL 66 13.536 5.186 -1.470 452 HG21 VAL 66 HG21 VAL 66 16.115 7.587 0.912 453 HG22 VAL 66 HG22 VAL 66 16.038 7.888 -0.916 454 HG23 VAL 66 HG23 VAL 66 14.665 8.142 0.078 455 H VAL 67 H VAL 67 11.954 4.425 0.681 456 HA VAL 67 HA VAL 67 12.873 1.727 0.105 457 HB VAL 67 HB VAL 67 10.908 2.774 2.144 458 HG11 VAL 67 HG11 VAL 67 9.958 0.511 1.033 459 HG12 VAL 67 HG12 VAL 67 11.539 -0.139 1.252 460 HG13 VAL 67 HG13 VAL 67 10.578 0.294 2.675 461 HG21 VAL 67 HG21 VAL 67 13.344 0.890 2.347 462 HG22 VAL 67 HG22 VAL 67 13.237 2.580 2.936 463 HG23 VAL 67 HG23 VAL 67 12.202 1.363 3.673 464 H ASP 68 H ASP 68 11.379 0.568 -1.263 465 HA ASP 68 HA ASP 68 9.064 1.994 -2.253 466 HB2 ASP 68 HB2 ASP 68 10.864 2.654 -3.861 467 HB3 ASP 68 HB3 ASP 68 11.151 0.986 -4.207 468 H ALA 69 H ALA 69 7.349 0.743 -2.400 469 HA ALA 69 HA ALA 69 7.564 -2.074 -1.548 470 HB1 ALA 69 HB1 ALA 69 5.375 -2.038 -1.002 471 HB2 ALA 69 HB2 ALA 69 5.990 -0.443 -0.393 472 HB3 ALA 69 HB3 ALA 69 5.029 -0.445 -1.797 473 H LYS 70 H LYS 70 6.342 -3.689 -2.526 474 HA LYS 70 HA LYS 70 6.054 -3.441 -5.545 475 HB2 LYS 70 HB2 LYS 70 7.655 -5.224 -4.747 476 HB3 LYS 70 HB3 LYS 70 6.376 -5.864 -3.733 477 HG2 LYS 70 HG2 LYS 70 4.921 -6.107 -5.798 478 HG3 LYS 70 HG3 LYS 70 6.433 -5.711 -6.739 479 HD2 LYS 70 HD2 LYS 70 7.370 -7.775 -5.654 480 HD3 LYS 70 HD3 LYS 70 5.901 -7.989 -4.729 481 HE2 LYS 70 HE2 LYS 70 4.652 -7.908 -7.059 482 HE3 LYS 70 HE3 LYS 70 6.201 -7.918 -7.780 483 HZ1 LYS 70 HZ1 LYS 70 6.440 -10.194 -6.781 484 HZ2 LYS 70 HZ2 LYS 70 5.087 -9.993 -5.943 485 HZ3 LYS 70 HZ3 LYS 70 5.001 -10.106 -7.586 486 H VAL 71 H VAL 71 4.377 -3.214 -6.499 487 HA VAL 71 HA VAL 71 1.841 -3.435 -4.963 488 HB VAL 71 HB VAL 71 2.833 -1.829 -7.275 489 HG11 VAL 71 HG11 VAL 71 0.390 -2.582 -7.844 490 HG12 VAL 71 HG12 VAL 71 -0.126 -2.026 -6.380 491 HG13 VAL 71 HG13 VAL 71 0.600 -0.855 -7.603 492 HG21 VAL 71 HG21 VAL 71 1.787 -0.973 -4.678 493 HG22 VAL 71 HG22 VAL 71 3.387 -0.723 -5.404 494 HG23 VAL 71 HG23 VAL 71 2.109 0.159 -6.094 495 H THR 72 H THR 72 0.320 -4.981 -5.550 496 HA THR 72 HA THR 72 0.501 -6.120 -8.294 497 HB THR 72 HB THR 72 -0.017 -7.732 -5.882 498 HG1 THR 72 HG1 THR 72 2.143 -7.445 -5.828 499 HG21 THR 72 HG21 THR 72 0.101 -8.435 -8.802 500 HG22 THR 72 HG22 THR 72 0.706 -9.632 -7.654 501 HG23 THR 72 HG23 THR 72 -0.900 -9.117 -7.474 502 H ASP 73 H ASP 73 -1.105 -6.287 -9.437 503 HA ASP 73 HA ASP 73 -3.805 -5.611 -8.593 504 HB2 ASP 73 HB2 ASP 73 -2.975 -5.521 -10.887 505 HB3 ASP 73 HB3 ASP 73 -3.048 -7.298 -10.936 506 H ASN 74 H ASN 74 -5.051 -6.548 -7.332 507 HA ASN 74 HA ASN 74 -4.752 -9.390 -6.613 508 HB2 ASN 74 HB2 ASN 74 -6.908 -7.566 -5.682 509 HB3 ASN 74 HB3 ASN 74 -6.630 -9.236 -5.149 510 HD21 ASN 74 HD21 ASN 74 -6.305 -6.491 -3.463 511 HD22 ASN 74 HD22 ASN 74 -4.704 -6.723 -2.856 512 H ASN 75 H ASN 75 -6.499 -7.932 -9.154 513 HA ASN 75 HA ASN 75 -8.057 -8.676 -10.529 514 HB2 ASN 75 HB2 ASN 75 -7.450 -11.464 -9.568 515 HB3 ASN 75 HB3 ASN 75 -8.030 -11.005 -11.160 516 HD21 ASN 75 HD21 ASN 75 -6.018 -8.836 -11.622 517 HD22 ASN 75 HD22 ASN 75 -4.443 -9.534 -11.456 518 H ASP 76 H ASP 76 -9.126 -7.707 -8.270 519 HA ASP 76 HA ASP 76 -11.744 -8.977 -8.346 520 HB2 ASP 76 HB2 ASP 76 -11.672 -8.930 -5.825 521 HB3 ASP 76 HB3 ASP 76 -10.490 -9.968 -6.679 522 H GLY 77 H GLY 77 -10.084 -5.959 -8.382 523 HA2 GLY 77 HA2 GLY 77 -11.641 -3.882 -8.344 524 HA3 GLY 77 HA3 GLY 77 -11.989 -4.592 -6.699 525 H THR 78 H THR 78 -9.310 -5.478 -6.398 526 HA THR 78 HA THR 78 -8.199 -2.929 -5.721 527 HB THR 78 HB THR 78 -7.807 -3.782 -3.596 528 HG1 THR 78 HG1 THR 78 -8.510 -6.110 -4.723 529 HG21 THR 78 HG21 THR 78 -10.579 -4.980 -4.280 530 HG22 THR 78 HG22 THR 78 -9.980 -4.162 -2.768 531 HG23 THR 78 HG23 THR 78 -10.303 -3.305 -4.403 532 H TYR 79 H TYR 79 -5.860 -2.974 -4.608 533 HA TYR 79 HA TYR 79 -3.988 -4.708 -6.049 534 HB2 TYR 79 HB2 TYR 79 -4.055 -1.689 -5.636 535 HB3 TYR 79 HB3 TYR 79 -2.640 -2.603 -6.185 536 HD1 TYR 79 HD1 TYR 79 -2.268 -3.130 -8.457 537 HD2 TYR 79 HD2 TYR 79 -6.271 -2.075 -7.195 538 HE1 TYR 79 HE1 TYR 79 -3.014 -2.922 -10.754 539 HE2 TYR 79 HE2 TYR 79 -7.022 -2.180 -9.490 540 HH TYR 79 HH TYR 79 -6.436 -2.215 -11.648 541 H GLY 80 H GLY 80 -2.728 -5.814 -4.760 542 HA2 GLY 80 HA2 GLY 80 -2.557 -5.063 -1.918 543 HA3 GLY 80 HA3 GLY 80 -2.208 -6.636 -2.648 544 H VAL 81 H VAL 81 -0.698 -4.769 -0.912 545 HA VAL 81 HA VAL 81 1.770 -4.163 -2.438 546 HB VAL 81 HB VAL 81 0.526 -2.204 -0.340 547 HG11 VAL 81 HG11 VAL 81 3.004 -2.095 -2.050 548 HG12 VAL 81 HG12 VAL 81 2.349 -0.741 -1.115 549 HG13 VAL 81 HG13 VAL 81 2.958 -2.054 -0.250 550 HG21 VAL 81 HG21 VAL 81 0.051 -0.761 -2.135 551 HG22 VAL 81 HG22 VAL 81 0.461 -1.996 -3.325 552 HG23 VAL 81 HG23 VAL 81 -0.813 -2.262 -2.103 553 H VAL 82 H VAL 82 3.640 -4.658 -1.424 554 HA VAL 82 HA VAL 82 3.442 -5.770 1.257 555 HB VAL 82 HB VAL 82 3.045 -7.665 -0.147 556 HG11 VAL 82 HG11 VAL 82 4.336 -6.998 -2.258 557 HG12 VAL 82 HG12 VAL 82 5.787 -7.186 -1.366 558 HG13 VAL 82 HG13 VAL 82 4.926 -8.614 -1.658 559 HG21 VAL 82 HG21 VAL 82 5.800 -7.825 1.028 560 HG22 VAL 82 HG22 VAL 82 4.411 -7.795 1.996 561 HG23 VAL 82 HG23 VAL 82 4.620 -9.151 0.763 562 H TYR 83 H TYR 83 5.021 -5.152 2.455 563 HA TYR 83 HA TYR 83 7.544 -4.671 1.326 564 HB2 TYR 83 HB2 TYR 83 8.082 -2.447 1.886 565 HB3 TYR 83 HB3 TYR 83 6.730 -2.570 0.829 566 HD1 TYR 83 HD1 TYR 83 4.298 -2.861 2.788 567 HD2 TYR 83 HD2 TYR 83 7.887 -0.391 2.857 568 HE1 TYR 83 HE1 TYR 83 3.280 -1.478 4.373 569 HE2 TYR 83 HE2 TYR 83 6.901 0.884 4.586 570 HH TYR 83 HH TYR 83 3.520 0.355 5.722 571 H ASP 84 H ASP 84 9.109 -3.512 3.503 572 HA ASP 84 HA ASP 84 8.655 -4.611 6.187 573 HB2 ASP 84 HB2 ASP 84 10.816 -5.801 5.777 574 HB3 ASP 84 HB3 ASP 84 9.319 -6.574 5.386 575 H ALA 85 H ALA 85 10.097 -4.142 7.463 576 HA ALA 85 HA ALA 85 11.563 -1.550 7.283 577 HB1 ALA 85 HB1 ALA 85 9.157 -1.631 8.377 578 HB2 ALA 85 HB2 ALA 85 10.102 -2.114 9.706 579 HB3 ALA 85 HB3 ALA 85 10.585 -0.640 8.886 580 HA PRO 86 HA PRO 86 14.465 -4.337 9.289 581 HB2 PRO 86 HB3 PRO 86 16.845 -3.143 8.691 582 HB3 PRO 86 HB2 PRO 86 15.933 -4.054 7.518 583 HG2 PRO 86 HG3 PRO 86 16.003 -1.140 7.970 584 HG3 PRO 86 HG2 PRO 86 15.887 -1.980 6.357 585 HD2 PRO 86 HD3 PRO 86 13.569 -0.894 7.247 586 HD3 PRO 86 HD2 PRO 86 13.777 -2.417 6.418 587 H VAL 87 H VAL 87 13.229 -1.629 10.424 588 HA VAL 87 HA VAL 87 15.116 -1.178 12.553 589 HB VAL 87 HB VAL 87 14.148 1.318 12.359 590 HG11 VAL 87 HG11 VAL 87 16.456 0.410 11.741 591 HG12 VAL 87 HG12 VAL 87 15.833 0.275 10.162 592 HG13 VAL 87 HG13 VAL 87 15.975 1.908 10.818 593 HG21 VAL 87 HG21 VAL 87 13.651 0.587 9.516 594 HG22 VAL 87 HG22 VAL 87 12.421 0.778 10.796 595 HG23 VAL 87 HG23 VAL 87 13.492 2.160 10.296 596 H GLU 88 H GLU 88 14.544 -0.915 14.594 597 HA GLU 88 HA GLU 88 11.862 -0.305 15.456 598 HB2 GLU 88 HB2 GLU 88 13.542 -1.106 16.960 599 HB3 GLU 88 HB3 GLU 88 14.425 0.405 16.866 600 HG2 GLU 88 HG2 GLU 88 12.097 1.439 17.726 601 HG3 GLU 88 HG3 GLU 88 11.774 -0.220 18.192 602 H GLY 89 H GLY 89 10.969 1.326 14.181 603 HA2 GLY 89 HA2 GLY 89 11.956 4.018 14.290 604 HA3 GLY 89 HA3 GLY 89 12.229 3.141 12.742 605 H ASN 90 H ASN 90 10.971 4.767 11.719 606 HA ASN 90 HA ASN 90 8.111 4.252 11.818 607 HB2 ASN 90 HB2 ASN 90 8.265 6.273 13.039 608 HB3 ASN 90 HB3 ASN 90 9.300 7.077 11.860 609 HD21 ASN 90 HD21 ASN 90 7.969 7.667 9.646 610 HD22 ASN 90 HD22 ASN 90 6.229 7.877 9.982 611 H TYR 91 H TYR 91 7.165 4.390 9.759 612 HA TYR 91 HA TYR 91 8.782 5.080 7.409 613 HB2 TYR 91 HB2 TYR 91 6.802 2.829 7.779 614 HB3 TYR 91 HB3 TYR 91 7.179 3.520 6.124 615 HD1 TYR 91 HD1 TYR 91 10.185 3.854 6.703 616 HD2 TYR 91 HD2 TYR 91 7.371 0.662 6.683 617 HE1 TYR 91 HE1 TYR 91 11.971 2.323 5.838 618 HE2 TYR 91 HE2 TYR 91 9.179 -0.847 5.898 619 HH TYR 91 HH TYR 91 11.140 -1.065 5.039 620 H ASN 92 H ASN 92 7.895 6.425 5.915 621 HA ASN 92 HA ASN 92 5.193 7.594 6.670 622 HB2 ASN 92 HB2 ASN 92 7.064 9.090 7.387 623 HB3 ASN 92 HB3 ASN 92 7.722 9.029 5.723 624 HD21 ASN 92 HD21 ASN 92 4.990 10.111 7.554 625 HD22 ASN 92 HD22 ASN 92 4.444 11.307 6.405 626 H VAL 93 H VAL 93 3.867 7.375 5.287 627 HA VAL 93 HA VAL 93 4.666 5.977 2.780 628 HB VAL 93 HB VAL 93 2.493 5.428 4.780 629 HG11 VAL 93 HG11 VAL 93 1.565 4.910 2.509 630 HG12 VAL 93 HG12 VAL 93 2.993 4.065 2.079 631 HG13 VAL 93 HG13 VAL 93 1.951 3.434 3.366 632 HG21 VAL 93 HG21 VAL 93 4.848 3.807 3.670 633 HG22 VAL 93 HG22 VAL 93 4.970 4.630 5.254 634 HG23 VAL 93 HG23 VAL 93 3.771 3.385 5.035 635 H ASN 94 H ASN 94 3.825 6.508 1.057 636 HA ASN 94 HA ASN 94 1.351 8.237 0.730 637 HB2 ASN 94 HB2 ASN 94 3.493 9.445 0.477 638 HB3 ASN 94 HB3 ASN 94 4.014 8.236 -0.769 639 HD21 ASN 94 HD21 ASN 94 4.308 10.169 -2.221 640 HD22 ASN 94 HD22 ASN 94 2.839 10.855 -2.927 641 H VAL 95 H VAL 95 -0.173 7.433 -0.718 642 HA VAL 95 HA VAL 95 0.591 5.219 -2.695 643 HB VAL 95 HB VAL 95 -1.906 5.965 -1.322 644 HG11 VAL 95 HG11 VAL 95 -1.248 3.721 -3.288 645 HG12 VAL 95 HG12 VAL 95 -2.619 3.608 -2.273 646 HG13 VAL 95 HG13 VAL 95 -2.445 4.918 -3.517 647 HG21 VAL 95 HG21 VAL 95 -0.498 4.753 0.257 648 HG22 VAL 95 HG22 VAL 95 -1.802 3.705 -0.145 649 HG23 VAL 95 HG23 VAL 95 -0.242 3.434 -0.930 650 H THR 96 H THR 96 0.308 5.397 -4.660 651 HA THR 96 HA THR 96 -0.946 7.846 -5.639 652 HB THR 96 HB THR 96 0.822 8.262 -7.247 653 HG1 THR 96 HG1 THR 96 2.047 6.316 -5.650 654 HG21 THR 96 HG21 THR 96 1.890 8.596 -4.405 655 HG22 THR 96 HG22 THR 96 2.336 9.479 -5.795 656 HG23 THR 96 HG23 THR 96 0.665 9.648 -5.177 657 H LEU 97 H LEU 97 -1.033 7.988 -8.104 658 HA LEU 97 HA LEU 97 -2.154 5.373 -9.061 659 HB2 LEU 97 HB2 LEU 97 -3.438 6.874 -7.366 660 HB3 LEU 97 HB3 LEU 97 -3.399 8.141 -8.577 661 HG LEU 97 HG LEU 97 -4.544 5.411 -9.239 662 HD11 LEU 97 HD11 LEU 97 -6.110 7.801 -8.231 663 HD12 LEU 97 HD12 LEU 97 -6.625 6.206 -8.783 664 HD13 LEU 97 HD13 LEU 97 -5.711 6.270 -7.264 665 HD21 LEU 97 HD21 LEU 97 -5.283 8.126 -10.418 666 HD22 LEU 97 HD22 LEU 97 -4.078 7.201 -11.143 667 HD23 LEU 97 HD23 LEU 97 -5.718 6.521 -10.931 668 H ARG 98 H ARG 98 -1.084 5.189 -10.935 669 HA ARG 98 HA ARG 98 0.366 5.752 -12.745 670 HB2 ARG 98 HB2 ARG 98 -1.948 7.094 -13.275 671 HB3 ARG 98 HB3 ARG 98 -0.807 8.451 -13.107 672 HG2 ARG 98 HG2 ARG 98 0.529 7.836 -14.809 673 HG3 ARG 98 HG3 ARG 98 -0.328 6.245 -15.027 674 HD2 ARG 98 HD2 ARG 98 -0.998 9.173 -15.496 675 HD3 ARG 98 HD3 ARG 98 -0.948 8.062 -16.778 676 HE ARG 98 HE ARG 98 -2.977 7.199 -14.864 677 HH11 ARG 98 HH11 ARG 98 -2.819 9.436 -17.502 678 HH12 ARG 98 HH12 ARG 98 -4.595 9.305 -17.739 679 HH21 ARG 98 HH21 ARG 98 -5.044 6.988 -15.235 680 HH22 ARG 98 HH22 ARG 98 -5.774 7.971 -16.444 681 H GLY 99 H GLY 99 1.508 6.235 -10.180 682 HA2 GLY 99 HA2 GLY 99 2.840 7.444 -8.971 683 HA3 GLY 99 HA3 GLY 99 3.226 8.013 -10.638 684 H ASN 100 H ASN 100 0.055 8.995 -10.174 685 HA ASN 100 HA ASN 100 0.801 11.659 -9.250 686 HB2 ASN 100 HB2 ASN 100 -1.613 10.473 -10.537 687 HB3 ASN 100 HB3 ASN 100 -1.556 12.164 -10.131 688 HD21 ASN 100 HD21 ASN 100 -1.537 10.663 -12.851 689 HD22 ASN 100 HD22 ASN 100 -0.100 11.435 -13.645 690 HA PRO 101 HA PRO 101 -0.777 10.974 -5.295 691 HB2 PRO 101 HB3 PRO 101 -0.895 13.541 -4.162 692 HB3 PRO 101 HB2 PRO 101 0.531 12.757 -4.460 693 HG2 PRO 101 HG3 PRO 101 -0.929 14.754 -6.292 694 HG3 PRO 101 HG2 PRO 101 0.724 14.633 -5.869 695 HD2 PRO 101 HD3 PRO 101 -0.525 13.701 -8.245 696 HD3 PRO 101 HD2 PRO 101 1.026 13.242 -7.739 697 H ILE 102 H ILE 102 -2.396 11.613 -3.760 698 HA ILE 102 HA ILE 102 -4.911 12.252 -4.666 699 HB ILE 102 HB ILE 102 -5.942 9.922 -4.312 700 HG12 ILE 102 HG12 ILE 102 -3.029 9.172 -4.256 701 HG13 ILE 102 HG13 ILE 102 -3.968 9.089 -2.822 702 HG21 ILE 102 HG21 ILE 102 -5.230 10.724 -6.548 703 HG22 ILE 102 HG22 ILE 102 -4.006 9.372 -6.415 704 HG23 ILE 102 HG23 ILE 102 -5.623 9.063 -6.387 705 HD11 ILE 102 HD11 ILE 102 -3.747 6.783 -3.758 706 HD12 ILE 102 HD12 ILE 102 -5.407 7.231 -3.996 707 HD13 ILE 102 HD13 ILE 102 -4.392 7.443 -5.338 708 H LYS 103 H LYS 103 -6.531 10.863 -2.492 709 HA LYS 103 HA LYS 103 -6.120 13.142 -0.753 710 HB2 LYS 103 HB2 LYS 103 -8.263 11.174 -0.930 711 HB3 LYS 103 HB3 LYS 103 -8.238 12.845 -0.294 712 HG2 LYS 103 HG2 LYS 103 -8.132 13.561 -2.730 713 HG3 LYS 103 HG3 LYS 103 -8.147 11.831 -3.153 714 HD2 LYS 103 HD2 LYS 103 -10.321 12.802 -3.496 715 HD3 LYS 103 HD3 LYS 103 -10.493 11.731 -2.009 716 HE2 LYS 103 HE2 LYS 103 -10.145 13.785 -0.699 717 HE3 LYS 103 HE3 LYS 103 -10.188 14.766 -2.173 718 HZ1 LYS 103 HZ1 LYS 103 -12.310 14.751 -1.115 719 HZ2 LYS 103 HZ2 LYS 103 -12.261 14.023 -2.592 720 HZ3 LYS 103 HZ3 LYS 103 -12.360 13.098 -1.145 721 H ASN 104 H ASN 104 -6.373 12.835 1.544 722 HA ASN 104 HA ASN 104 -5.798 12.132 3.555 723 HB2 ASN 104 HB2 ASN 104 -7.303 9.666 2.867 724 HB3 ASN 104 HB3 ASN 104 -7.023 10.202 4.411 725 HD21 ASN 104 HD21 ASN 104 -7.623 12.330 5.229 726 HD22 ASN 104 HD22 ASN 104 -9.321 12.643 4.939 727 H MET 105 H MET 105 -3.633 11.795 1.713 728 HA MET 105 HA MET 105 -2.027 9.851 2.905 729 HB2 MET 105 HB2 MET 105 -2.350 10.248 -0.194 730 HB3 MET 105 HB3 MET 105 -0.845 9.726 0.563 731 HG2 MET 105 HG2 MET 105 -3.186 8.314 1.421 732 HG3 MET 105 HG3 MET 105 -2.510 7.920 -0.171 733 HE1 MET 105 HE1 MET 105 -2.792 5.526 2.071 734 HE2 MET 105 HE2 MET 105 -1.489 5.550 3.282 735 HE3 MET 105 HE3 MET 105 -2.738 6.879 3.242 736 HA PRO 106 HA PRO 106 0.588 9.745 2.445 737 HB2 PRO 106 HB3 PRO 106 2.774 10.598 3.914 738 HB3 PRO 106 HB2 PRO 106 2.704 10.887 2.194 739 HG2 PRO 106 HG3 PRO 106 2.057 12.806 4.376 740 HG3 PRO 106 HG2 PRO 106 2.902 13.079 2.832 741 HD2 PRO 106 HD3 PRO 106 0.233 13.725 3.350 742 HD3 PRO 106 HD2 PRO 106 0.878 13.447 1.746 743 H ILE 107 H ILE 107 1.104 8.583 4.307 744 HA ILE 107 HA ILE 107 0.481 9.597 6.889 745 HB ILE 107 HB ILE 107 -0.938 8.047 7.738 746 HG12 ILE 107 HG12 ILE 107 -1.892 6.200 6.050 747 HG13 ILE 107 HG13 ILE 107 -0.534 6.622 4.979 748 HG21 ILE 107 HG21 ILE 107 -2.123 9.681 6.545 749 HG22 ILE 107 HG22 ILE 107 -1.919 8.912 4.998 750 HG23 ILE 107 HG23 ILE 107 -3.035 8.193 6.160 751 HD11 ILE 107 HD11 ILE 107 0.935 5.603 6.587 752 HD12 ILE 107 HD12 ILE 107 -0.222 5.913 7.924 753 HD13 ILE 107 HD13 ILE 107 -0.508 4.576 6.780 754 H ASP 108 H ASP 108 0.860 7.949 8.812 755 HA ASP 108 HA ASP 108 3.601 7.066 8.369 756 HB2 ASP 108 HB2 ASP 108 2.221 8.462 10.794 757 HB3 ASP 108 HB3 ASP 108 3.851 7.709 10.835 758 H VAL 109 H VAL 109 4.443 5.439 9.141 759 HA VAL 109 HA VAL 109 2.753 3.388 10.518 760 HB VAL 109 HB VAL 109 4.610 3.028 8.209 761 HG11 VAL 109 HG11 VAL 109 3.700 0.688 8.487 762 HG12 VAL 109 HG12 VAL 109 4.757 1.270 9.827 763 HG13 VAL 109 HG13 VAL 109 3.001 1.146 10.096 764 HG21 VAL 109 HG21 VAL 109 2.460 3.753 7.454 765 HG22 VAL 109 HG22 VAL 109 2.453 2.085 7.174 766 HG23 VAL 109 HG23 VAL 109 1.595 2.709 8.629 767 H LYS 110 H LYS 110 3.455 2.823 12.433 768 HA LYS 110 HA LYS 110 6.227 3.277 13.073 769 HB2 LYS 110 HB2 LYS 110 3.878 2.119 14.691 770 HB3 LYS 110 HB3 LYS 110 5.419 2.197 15.335 771 HG2 LYS 110 HG2 LYS 110 4.040 4.701 14.298 772 HG3 LYS 110 HG3 LYS 110 4.112 4.267 15.974 773 HD2 LYS 110 HD2 LYS 110 6.643 4.058 15.751 774 HD3 LYS 110 HD3 LYS 110 6.506 4.992 14.232 775 HE2 LYS 110 HE2 LYS 110 5.404 6.783 15.253 776 HE3 LYS 110 HE3 LYS 110 5.576 6.021 16.816 777 HZ1 LYS 110 HZ1 LYS 110 7.352 7.668 16.153 778 HZ2 LYS 110 HZ2 LYS 110 7.919 6.368 16.892 779 HZ3 LYS 110 HZ3 LYS 110 8.101 6.409 15.344 780 H CYS 111 H CYS 111 7.748 1.866 12.942 781 HA CYS 111 HA CYS 111 7.309 -0.828 11.829 782 HB2 CYS 111 HB2 CYS 111 9.502 1.245 11.750 783 HB3 CYS 111 HB3 CYS 111 9.637 -0.363 10.999 784 HG CYS 111 HG CYS 111 8.844 0.943 8.935 785 H ILE 112 H ILE 112 8.508 -2.652 12.765 786 HA ILE 112 HA ILE 112 10.381 -1.883 14.966 787 HB ILE 112 HB ILE 112 8.148 -3.788 15.503 788 HG12 ILE 112 HG12 ILE 112 8.970 -1.313 16.993 789 HG13 ILE 112 HG13 ILE 112 7.661 -1.386 15.716 790 HG21 ILE 112 HG21 ILE 112 9.350 -3.893 17.783 791 HG22 ILE 112 HG22 ILE 112 10.456 -4.482 16.489 792 HG23 ILE 112 HG23 ILE 112 10.643 -2.876 17.097 793 HD11 ILE 112 HD11 ILE 112 6.512 -1.359 17.783 794 HD12 ILE 112 HD12 ILE 112 6.709 -3.151 17.512 795 HD13 ILE 112 HD13 ILE 112 7.788 -2.207 18.541 796 H GLU 113 H GLU 113 12.194 -3.378 15.150 797 HA GLU 113 HA GLU 113 12.623 -4.522 12.677 798 HB2 GLU 113 HB2 GLU 113 15.039 -4.882 13.615 799 HB3 GLU 113 HB3 GLU 113 14.229 -3.269 13.408 800 HG2 GLU 113 HG2 GLU 113 13.899 -3.008 15.684 801 HG3 GLU 113 HG3 GLU 113 14.650 -4.569 16.054 802 H GLY 114 H GLY 114 10.760 -6.227 13.589 803 HA2 GLY 114 HA2 GLY 114 11.963 -8.708 14.673 804 HA3 GLY 114 HA3 GLY 114 10.291 -8.361 14.245 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -18.681 -8.369 -8.393 2 H2 MET 1 H2 MET 1 -19.053 -9.983 -8.440 3 H3 MET 1 H3 MET 1 -18.281 -9.481 -7.211 4 HA MET 1 HA MET 1 -16.274 -8.923 -8.510 5 HB2 MET 1 HB2 MET 1 -16.572 -11.049 -7.402 6 HB3 MET 1 HB3 MET 1 -17.345 -11.666 -8.774 7 HG2 MET 1 HG2 MET 1 -15.081 -12.397 -8.525 8 HG3 MET 1 HG3 MET 1 -15.229 -11.575 -10.091 9 HE1 MET 1 HE1 MET 1 -12.718 -11.376 -10.511 10 HE2 MET 1 HE2 MET 1 -11.509 -11.059 -9.254 11 HE3 MET 1 HE3 MET 1 -12.724 -12.480 -9.096 12 H HIS 2 H HIS 2 -16.387 -7.625 -10.269 13 HA HIS 2 HA HIS 2 -17.439 -8.571 -12.881 14 HB2 HIS 2 HB2 HIS 2 -17.315 -5.721 -11.882 15 HB3 HIS 2 HB3 HIS 2 -17.776 -6.306 -13.438 16 HD1 HIS 2 HD1 HIS 2 -20.105 -8.184 -13.229 17 HD2 HIS 2 HD2 HIS 2 -19.165 -5.965 -9.864 18 HE1 HIS 2 HE1 HIS 2 -21.846 -8.762 -11.521 19 H HIS 3 H HIS 3 -14.342 -8.207 -11.531 20 HA HIS 3 HA HIS 3 -13.154 -6.685 -13.578 21 HB2 HIS 3 HB2 HIS 3 -12.493 -6.891 -11.203 22 HB3 HIS 3 HB3 HIS 3 -11.996 -8.532 -11.474 23 HD1 HIS 3 HD1 HIS 3 -10.711 -5.139 -11.536 24 HD2 HIS 3 HD2 HIS 3 -9.951 -8.732 -13.551 25 HE1 HIS 3 HE1 HIS 3 -8.311 -5.018 -12.353 26 H HIS 4 H HIS 4 -12.624 -7.121 -15.567 27 HA HIS 4 HA HIS 4 -11.482 -9.643 -16.331 28 HB2 HIS 4 HB2 HIS 4 -13.751 -10.382 -16.312 29 HB3 HIS 4 HB3 HIS 4 -14.212 -9.041 -17.510 30 HD1 HIS 4 HD1 HIS 4 -14.392 -9.832 -19.927 31 HD2 HIS 4 HD2 HIS 4 -11.494 -11.760 -17.631 32 HE1 HIS 4 HE1 HIS 4 -13.512 -11.730 -21.390 33 H HIS 5 H HIS 5 -10.002 -9.217 -18.032 34 HA HIS 5 HA HIS 5 -9.979 -6.568 -19.104 35 HB2 HIS 5 HB2 HIS 5 -8.227 -9.007 -19.107 36 HB3 HIS 5 HB3 HIS 5 -7.989 -7.632 -20.263 37 HD1 HIS 5 HD1 HIS 5 -6.585 -5.875 -19.478 38 HD2 HIS 5 HD2 HIS 5 -8.376 -7.940 -16.328 39 HE1 HIS 5 HE1 HIS 5 -5.457 -4.987 -17.267 40 H HIS 6 H HIS 6 -10.636 -6.017 -21.413 41 HA HIS 6 HA HIS 6 -11.457 -8.295 -23.175 42 HB2 HIS 6 HB2 HIS 6 -13.201 -7.455 -21.603 43 HB3 HIS 6 HB3 HIS 6 -13.326 -6.036 -22.585 44 HD1 HIS 6 HD1 HIS 6 -13.918 -6.512 -25.423 45 HD2 HIS 6 HD2 HIS 6 -14.417 -9.689 -22.749 46 HE1 HIS 6 HE1 HIS 6 -15.279 -8.069 -26.598 47 H HIS 7 H HIS 7 -10.678 -4.933 -22.628 48 HA HIS 7 HA HIS 7 -10.283 -4.448 -25.517 49 HB2 HIS 7 HB2 HIS 7 -11.523 -2.617 -23.447 50 HB3 HIS 7 HB3 HIS 7 -11.293 -2.175 -25.121 51 HD1 HIS 7 HD1 HIS 7 -14.070 -3.169 -23.239 52 HD2 HIS 7 HD2 HIS 7 -12.361 -4.527 -26.828 53 HE1 HIS 7 HE1 HIS 7 -16.027 -4.248 -24.785 54 H ALA 8 H ALA 8 -8.716 -2.736 -26.099 55 HA ALA 8 HA ALA 8 -6.495 -2.577 -24.335 56 HB1 ALA 8 HB1 ALA 8 -7.051 -0.854 -26.818 57 HB2 ALA 8 HB2 ALA 8 -5.547 -1.216 -26.157 58 HB3 ALA 8 HB3 ALA 8 -6.505 -2.551 -26.968 59 H SER 9 H SER 9 -8.858 -0.019 -25.250 60 HA SER 9 HA SER 9 -7.755 1.868 -23.331 61 HB2 SER 9 HB2 SER 9 -9.764 3.177 -23.761 62 HB3 SER 9 HB3 SER 9 -8.953 2.661 -25.247 63 HG SER 9 HG SER 9 -11.282 2.477 -25.034 64 H LYS 10 H LYS 10 -8.266 2.039 -21.111 65 HA LYS 10 HA LYS 10 -10.608 0.609 -20.048 66 HB2 LYS 10 HB2 LYS 10 -7.904 1.156 -18.625 67 HB3 LYS 10 HB3 LYS 10 -9.159 0.173 -17.964 68 HG2 LYS 10 HG2 LYS 10 -8.802 -1.557 -19.378 69 HG3 LYS 10 HG3 LYS 10 -7.615 -0.873 -20.350 70 HD2 LYS 10 HD2 LYS 10 -7.038 -1.264 -17.369 71 HD3 LYS 10 HD3 LYS 10 -6.464 -2.154 -18.710 72 HE2 LYS 10 HE2 LYS 10 -5.123 -0.553 -19.551 73 HE3 LYS 10 HE3 LYS 10 -5.770 0.802 -18.548 74 HZ1 LYS 10 HZ1 LYS 10 -4.221 -1.397 -17.549 75 HZ2 LYS 10 HZ2 LYS 10 -3.899 0.190 -17.471 76 HZ3 LYS 10 HZ3 LYS 10 -5.148 -0.499 -16.604 77 HA PRO 11 HA PRO 11 -11.647 4.299 -17.678 78 HB2 PRO 11 HB3 PRO 11 -12.017 2.186 -15.570 79 HB3 PRO 11 HB2 PRO 11 -13.138 3.601 -15.994 80 HG2 PRO 11 HG3 PRO 11 -13.846 1.153 -16.835 81 HG3 PRO 11 HG2 PRO 11 -13.949 2.451 -17.951 82 HD2 PRO 11 HD3 PRO 11 -11.678 0.534 -17.490 83 HD3 PRO 11 HD2 PRO 11 -12.299 1.036 -19.179 84 H ALA 12 H ALA 12 -10.979 5.326 -15.705 85 HA ALA 12 HA ALA 12 -8.229 4.570 -14.643 86 HB1 ALA 12 HB1 ALA 12 -9.488 7.243 -15.208 87 HB2 ALA 12 HB2 ALA 12 -7.765 6.983 -14.724 88 HB3 ALA 12 HB3 ALA 12 -8.258 6.440 -16.250 89 HA PRO 13 HA PRO 13 -10.202 4.802 -10.711 90 HB2 PRO 13 HB3 PRO 13 -7.397 5.104 -9.721 91 HB3 PRO 13 HB2 PRO 13 -8.683 3.913 -9.193 92 HG2 PRO 13 HG3 PRO 13 -6.681 3.034 -10.773 93 HG3 PRO 13 HG2 PRO 13 -8.423 2.611 -11.072 94 HD2 PRO 13 HD3 PRO 13 -6.777 4.870 -12.322 95 HD3 PRO 13 HD2 PRO 13 -7.608 3.404 -13.079 96 H SER 14 H SER 14 -10.227 6.373 -8.884 97 HA SER 14 HA SER 14 -9.105 9.006 -9.456 98 HB2 SER 14 HB2 SER 14 -12.140 8.662 -8.935 99 HB3 SER 14 HB3 SER 14 -11.247 10.147 -9.185 100 HG SER 14 HG SER 14 -12.404 8.324 -10.721 101 H ALA 15 H ALA 15 -9.592 10.722 -7.622 102 HA ALA 15 HA ALA 15 -8.592 9.769 -5.169 103 HB1 ALA 15 HB1 ALA 15 -8.299 11.904 -6.273 104 HB2 ALA 15 HB2 ALA 15 -10.023 12.358 -6.001 105 HB3 ALA 15 HB3 ALA 15 -8.905 12.266 -4.652 106 H GLU 16 H GLU 16 -11.978 10.930 -5.797 107 HA GLU 16 HA GLU 16 -13.025 10.250 -3.281 108 HB2 GLU 16 HB2 GLU 16 -14.505 10.201 -5.816 109 HB3 GLU 16 HB3 GLU 16 -15.104 10.319 -4.101 110 HG2 GLU 16 HG2 GLU 16 -13.565 12.362 -5.677 111 HG3 GLU 16 HG3 GLU 16 -15.255 12.561 -5.359 112 H HIS 17 H HIS 17 -11.994 8.348 -5.869 113 HA HIS 17 HA HIS 17 -13.270 5.808 -5.059 114 HB2 HIS 17 HB2 HIS 17 -12.262 6.972 -7.702 115 HB3 HIS 17 HB3 HIS 17 -13.126 5.569 -7.680 116 HD1 HIS 17 HD1 HIS 17 -15.613 6.260 -5.653 117 HD2 HIS 17 HD2 HIS 17 -14.167 8.893 -8.680 118 HE1 HIS 17 HE1 HIS 17 -17.439 7.818 -6.302 119 H SER 18 H SER 18 -10.543 6.856 -4.472 120 HA SER 18 HA SER 18 -9.606 3.962 -4.345 121 HB2 SER 18 HB2 SER 18 -8.433 5.060 -6.427 122 HB3 SER 18 HB3 SER 18 -7.814 6.170 -5.170 123 HG SER 18 HG SER 18 -7.078 4.101 -4.140 124 H TYR 19 H TYR 19 -8.923 3.234 -2.594 125 HA TYR 19 HA TYR 19 -8.152 4.811 -0.613 126 HB2 TYR 19 HB2 TYR 19 -11.000 3.933 -0.648 127 HB3 TYR 19 HB3 TYR 19 -10.215 3.954 1.018 128 HD1 TYR 19 HD1 TYR 19 -12.300 6.218 -0.590 129 HD2 TYR 19 HD2 TYR 19 -8.649 5.716 1.700 130 HE1 TYR 19 HE1 TYR 19 -12.490 8.404 0.161 131 HE2 TYR 19 HE2 TYR 19 -9.001 7.974 2.567 132 HH TYR 19 HH TYR 19 -10.105 10.049 2.345 133 H ALA 20 H ALA 20 -7.518 3.430 1.172 134 HA ALA 20 HA ALA 20 -7.147 0.541 0.682 135 HB1 ALA 20 HB1 ALA 20 -4.849 0.783 1.103 136 HB2 ALA 20 HB2 ALA 20 -5.380 1.957 -0.088 137 HB3 ALA 20 HB3 ALA 20 -5.124 2.514 1.602 138 H GLU 21 H GLU 21 -6.714 -0.931 2.192 139 HA GLU 21 HA GLU 21 -6.881 -0.250 5.033 140 HB2 GLU 21 HB2 GLU 21 -8.463 -2.137 5.243 141 HB3 GLU 21 HB3 GLU 21 -9.169 -0.834 4.371 142 HG2 GLU 21 HG2 GLU 21 -9.092 -2.041 2.165 143 HG3 GLU 21 HG3 GLU 21 -8.021 -3.231 2.916 144 H GLY 22 H GLY 22 -5.855 -1.512 6.367 145 HA2 GLY 22 HA2 GLY 22 -5.392 -4.080 6.486 146 HA3 GLY 22 HA3 GLY 22 -4.372 -3.805 5.150 147 H GLU 23 H GLU 23 -3.246 -5.058 7.101 148 HA GLU 23 HA GLU 23 -2.356 -3.696 9.417 149 HB2 GLU 23 HB2 GLU 23 -2.541 -6.143 9.082 150 HB3 GLU 23 HB3 GLU 23 -1.008 -6.074 8.165 151 HG2 GLU 23 HG2 GLU 23 0.116 -5.255 10.022 152 HG3 GLU 23 HG3 GLU 23 -1.290 -4.981 11.006 153 H GLY 24 H GLY 24 -0.906 -3.692 6.152 154 HA2 GLY 24 HA2 GLY 24 1.735 -2.729 6.385 155 HA3 GLY 24 HA3 GLY 24 0.481 -2.717 5.203 156 H LEU 25 H LEU 25 -1.124 -1.124 7.458 157 HA LEU 25 HA LEU 25 0.032 1.462 6.920 158 HB2 LEU 25 HB2 LEU 25 -2.748 0.490 7.430 159 HB3 LEU 25 HB3 LEU 25 -2.334 2.190 7.386 160 HG LEU 25 HG LEU 25 -1.892 0.297 5.124 161 HD11 LEU 25 HD11 LEU 25 -3.969 1.379 4.064 162 HD12 LEU 25 HD12 LEU 25 -4.356 0.710 5.702 163 HD13 LEU 25 HD13 LEU 25 -4.162 2.359 5.505 164 HD21 LEU 25 HD21 LEU 25 -1.748 2.515 3.810 165 HD22 LEU 25 HD22 LEU 25 -1.762 3.274 5.375 166 HD23 LEU 25 HD23 LEU 25 -0.398 2.278 4.955 167 H VAL 26 H VAL 26 -0.183 -0.909 9.422 168 HA VAL 26 HA VAL 26 -0.275 0.995 11.714 169 HB VAL 26 HB VAL 26 -1.443 -1.703 11.666 170 HG11 VAL 26 HG11 VAL 26 -0.855 -0.935 13.856 171 HG12 VAL 26 HG12 VAL 26 -1.691 0.576 13.709 172 HG13 VAL 26 HG13 VAL 26 -2.667 -0.824 13.840 173 HG21 VAL 26 HG21 VAL 26 -2.647 0.971 11.049 174 HG22 VAL 26 HG22 VAL 26 -2.727 -0.604 10.201 175 HG23 VAL 26 HG23 VAL 26 -3.741 -0.268 11.628 176 H LYS 27 H LYS 27 0.949 -2.325 10.787 177 HA LYS 27 HA LYS 27 3.306 -1.677 12.465 178 HB2 LYS 27 HB2 LYS 27 2.955 -4.005 13.377 179 HB3 LYS 27 HB3 LYS 27 2.238 -2.729 14.241 180 HG2 LYS 27 HG2 LYS 27 0.014 -3.364 13.127 181 HG3 LYS 27 HG3 LYS 27 0.921 -4.767 12.320 182 HD2 LYS 27 HD2 LYS 27 1.495 -5.527 14.473 183 HD3 LYS 27 HD3 LYS 27 0.428 -4.360 15.283 184 HE2 LYS 27 HE2 LYS 27 -1.415 -5.422 13.639 185 HE3 LYS 27 HE3 LYS 27 -0.174 -6.598 13.195 186 HZ1 LYS 27 HZ1 LYS 27 -1.553 -7.356 15.075 187 HZ2 LYS 27 HZ2 LYS 27 -0.145 -7.048 15.695 188 HZ3 LYS 27 HZ3 LYS 27 -1.258 -5.936 15.914 189 H VAL 28 H VAL 28 5.014 -2.217 11.621 190 HA VAL 28 HA VAL 28 5.201 -4.313 9.430 191 HB VAL 28 HB VAL 28 6.539 -1.700 9.554 192 HG11 VAL 28 HG11 VAL 28 7.848 -3.338 8.374 193 HG12 VAL 28 HG12 VAL 28 6.424 -3.819 7.485 194 HG13 VAL 28 HG13 VAL 28 7.131 -2.243 7.128 195 HG21 VAL 28 HG21 VAL 28 3.932 -1.522 8.909 196 HG22 VAL 28 HG22 VAL 28 5.054 -0.719 7.870 197 HG23 VAL 28 HG23 VAL 28 4.460 -2.299 7.377 198 H PHE 29 H PHE 29 6.877 -5.412 9.516 199 HA PHE 29 HA PHE 29 8.869 -5.004 11.731 200 HB2 PHE 29 HB2 PHE 29 7.615 -7.723 11.162 201 HB3 PHE 29 HB3 PHE 29 8.748 -7.329 12.430 202 HD1 PHE 29 HD1 PHE 29 8.002 -6.136 14.373 203 HD2 PHE 29 HD2 PHE 29 5.356 -6.888 11.162 204 HE1 PHE 29 HE1 PHE 29 6.032 -6.036 15.984 205 HE2 PHE 29 HE2 PHE 29 3.330 -6.619 12.630 206 HZ PHE 29 HZ PHE 29 3.732 -6.254 15.032 207 H ASP 30 H ASP 30 10.522 -7.478 11.198 208 HA ASP 30 HA ASP 30 11.863 -6.311 8.878 209 HB2 ASP 30 HB2 ASP 30 12.994 -5.973 10.851 210 HB3 ASP 30 HB3 ASP 30 12.899 -7.674 11.238 211 H ASN 31 H ASN 31 11.330 -9.524 10.326 212 HA ASN 31 HA ASN 31 11.766 -11.029 7.761 213 HB2 ASN 31 HB2 ASN 31 11.831 -12.025 10.601 214 HB3 ASN 31 HB3 ASN 31 12.083 -12.926 9.100 215 HD21 ASN 31 HD21 ASN 31 13.384 -10.221 11.070 216 HD22 ASN 31 HD22 ASN 31 14.992 -10.256 10.383 217 H ALA 32 H ALA 32 9.282 -9.709 9.466 218 HA ALA 32 HA ALA 32 7.399 -11.503 8.092 219 HB1 ALA 32 HB1 ALA 32 5.799 -11.260 9.863 220 HB2 ALA 32 HB2 ALA 32 7.298 -11.735 10.502 221 HB3 ALA 32 HB3 ALA 32 6.779 -10.009 10.723 222 HA PRO 33 HA PRO 33 7.157 -7.558 6.242 223 HB2 PRO 33 HB3 PRO 33 6.011 -9.310 4.085 224 HB3 PRO 33 HB2 PRO 33 6.941 -7.821 3.762 225 HG2 PRO 33 HG3 PRO 33 8.183 -10.278 3.676 226 HG3 PRO 33 HG2 PRO 33 8.992 -8.994 4.756 227 HD2 PRO 33 HD3 PRO 33 7.297 -11.327 5.615 228 HD3 PRO 33 HD2 PRO 33 8.888 -10.578 6.172 229 H ALA 34 H ALA 34 5.522 -6.140 5.865 230 HA ALA 34 HA ALA 34 2.816 -7.103 6.670 231 HB1 ALA 34 HB1 ALA 34 2.385 -4.587 7.047 232 HB2 ALA 34 HB2 ALA 34 3.747 -5.189 7.976 233 HB3 ALA 34 HB3 ALA 34 4.007 -4.272 6.582 234 H GLU 35 H GLU 35 0.924 -6.521 5.745 235 HA GLU 35 HA GLU 35 1.127 -5.820 2.942 236 HB2 GLU 35 HB2 GLU 35 -0.757 -7.671 4.309 237 HB3 GLU 35 HB3 GLU 35 -0.762 -7.153 2.583 238 HG2 GLU 35 HG2 GLU 35 1.515 -8.044 2.302 239 HG3 GLU 35 HG3 GLU 35 1.522 -8.553 4.010 240 H PHE 36 H PHE 36 -0.980 -4.723 1.842 241 HA PHE 36 HA PHE 36 -3.207 -4.341 3.135 242 HB2 PHE 36 HB2 PHE 36 -3.294 -1.957 3.718 243 HB3 PHE 36 HB3 PHE 36 -1.758 -2.393 4.366 244 HD1 PHE 36 HD1 PHE 36 -3.469 -0.179 2.239 245 HD2 PHE 36 HD2 PHE 36 0.295 -1.891 3.109 246 HE1 PHE 36 HE1 PHE 36 -2.394 1.412 0.630 247 HE2 PHE 36 HE2 PHE 36 1.497 -0.020 2.024 248 HZ PHE 36 HZ PHE 36 0.005 1.721 0.722 249 H THR 37 H THR 37 -4.844 -3.063 1.719 250 HA THR 37 HA THR 37 -3.982 -3.827 -0.857 251 HB THR 37 HB THR 37 -6.692 -4.273 0.501 252 HG1 THR 37 HG1 THR 37 -6.089 -6.348 0.162 253 HG21 THR 37 HG21 THR 37 -5.974 -4.955 -2.306 254 HG22 THR 37 HG22 THR 37 -7.580 -5.215 -1.416 255 HG23 THR 37 HG23 THR 37 -7.014 -3.609 -1.886 256 H ILE 38 H ILE 38 -4.468 -2.451 -2.659 257 HA ILE 38 HA ILE 38 -5.626 0.073 -1.973 258 HB ILE 38 HB ILE 38 -3.768 -0.879 -4.070 259 HG12 ILE 38 HG12 ILE 38 -3.730 1.720 -2.640 260 HG13 ILE 38 HG13 ILE 38 -3.145 0.221 -1.965 261 HG21 ILE 38 HG21 ILE 38 -4.119 1.123 -5.493 262 HG22 ILE 38 HG22 ILE 38 -5.661 0.177 -5.379 263 HG23 ILE 38 HG23 ILE 38 -5.440 1.705 -4.592 264 HD11 ILE 38 HD11 ILE 38 -2.061 1.604 -4.403 265 HD12 ILE 38 HD12 ILE 38 -1.237 1.561 -2.898 266 HD13 ILE 38 HD13 ILE 38 -1.466 0.093 -3.956 267 H PHE 39 H PHE 39 -7.785 0.203 -2.136 268 HA PHE 39 HA PHE 39 -9.111 -1.427 -4.143 269 HB2 PHE 39 HB2 PHE 39 -11.105 -1.354 -2.820 270 HB3 PHE 39 HB3 PHE 39 -9.885 -1.931 -1.830 271 HD1 PHE 39 HD1 PHE 39 -12.080 0.936 -2.161 272 HD2 PHE 39 HD2 PHE 39 -9.033 -1.043 0.193 273 HE1 PHE 39 HE1 PHE 39 -12.652 2.295 -0.212 274 HE2 PHE 39 HE2 PHE 39 -9.766 0.223 2.148 275 HZ PHE 39 HZ PHE 39 -11.630 1.864 2.013 276 H ALA 40 H ALA 40 -9.828 -0.991 -5.977 277 HA ALA 40 HA ALA 40 -10.001 2.006 -6.569 278 HB1 ALA 40 HB1 ALA 40 -8.059 1.103 -7.444 279 HB2 ALA 40 HB2 ALA 40 -9.027 -0.249 -8.230 280 HB3 ALA 40 HB3 ALA 40 -9.197 1.490 -8.721 281 H VAL 41 H VAL 41 -11.545 2.816 -7.439 282 HA VAL 41 HA VAL 41 -13.772 1.499 -8.986 283 HB VAL 41 HB VAL 41 -13.810 3.749 -6.894 284 HG11 VAL 41 HG11 VAL 41 -15.936 2.711 -8.738 285 HG12 VAL 41 HG12 VAL 41 -16.236 3.911 -7.495 286 HG13 VAL 41 HG13 VAL 41 -15.272 4.291 -8.962 287 HG21 VAL 41 HG21 VAL 41 -13.738 1.361 -6.162 288 HG22 VAL 41 HG22 VAL 41 -15.156 2.258 -5.769 289 HG23 VAL 41 HG23 VAL 41 -15.231 1.077 -7.084 290 H ASP 42 H ASP 42 -14.342 2.614 -10.938 291 HA ASP 42 HA ASP 42 -12.398 4.643 -11.842 292 HB2 ASP 42 HB2 ASP 42 -14.061 5.088 -13.620 293 HB3 ASP 42 HB3 ASP 42 -12.962 3.768 -13.661 294 H THR 43 H THR 43 -15.844 4.971 -12.127 295 HA THR 43 HA THR 43 -16.454 6.924 -10.152 296 HB THR 43 HB THR 43 -17.570 8.131 -12.124 297 HG1 THR 43 HG1 THR 43 -16.925 7.486 -14.165 298 HG21 THR 43 HG21 THR 43 -15.861 9.288 -12.918 299 HG22 THR 43 HG22 THR 43 -15.618 9.002 -11.185 300 HG23 THR 43 HG23 THR 43 -14.579 8.046 -12.329 301 H LYS 44 H LYS 44 -17.448 4.198 -11.932 302 HA LYS 44 HA LYS 44 -20.327 4.896 -11.765 303 HB2 LYS 44 HB2 LYS 44 -19.476 2.260 -12.748 304 HB3 LYS 44 HB3 LYS 44 -20.827 3.155 -13.150 305 HG2 LYS 44 HG2 LYS 44 -18.040 3.667 -14.276 306 HG3 LYS 44 HG3 LYS 44 -19.470 2.753 -14.828 307 HD2 LYS 44 HD2 LYS 44 -20.785 4.720 -15.143 308 HD3 LYS 44 HD3 LYS 44 -19.598 5.683 -14.221 309 HE2 LYS 44 HE2 LYS 44 -19.394 6.065 -16.612 310 HE3 LYS 44 HE3 LYS 44 -17.913 5.350 -16.021 311 HZ1 LYS 44 HZ1 LYS 44 -20.013 3.642 -17.206 312 HZ2 LYS 44 HZ2 LYS 44 -19.232 4.512 -18.204 313 HZ3 LYS 44 HZ3 LYS 44 -18.467 3.401 -17.240 314 H GLY 45 H GLY 45 -18.579 4.210 -9.258 315 HA2 GLY 45 HA2 GLY 45 -19.454 3.541 -7.138 316 HA3 GLY 45 HA3 GLY 45 -20.647 2.571 -7.974 317 H VAL 46 H VAL 46 -19.842 0.785 -9.342 318 HA VAL 46 HA VAL 46 -18.601 -1.192 -7.630 319 HB VAL 46 HB VAL 46 -19.321 -1.008 -10.547 320 HG11 VAL 46 HG11 VAL 46 -18.568 -3.725 -9.447 321 HG12 VAL 46 HG12 VAL 46 -18.929 -3.282 -11.022 322 HG13 VAL 46 HG13 VAL 46 -17.472 -2.647 -10.302 323 HG21 VAL 46 HG21 VAL 46 -21.148 -2.554 -9.974 324 HG22 VAL 46 HG22 VAL 46 -20.638 -2.390 -8.206 325 HG23 VAL 46 HG23 VAL 46 -21.185 -1.041 -8.983 326 H ALA 47 H ALA 47 -16.799 -2.334 -7.946 327 HA ALA 47 HA ALA 47 -14.265 -0.689 -7.927 328 HB1 ALA 47 HB1 ALA 47 -14.635 -2.672 -6.444 329 HB2 ALA 47 HB2 ALA 47 -14.650 -3.706 -7.940 330 HB3 ALA 47 HB3 ALA 47 -13.253 -2.848 -7.538 331 H ARG 48 H ARG 48 -12.437 -1.504 -9.329 332 HA ARG 48 HA ARG 48 -13.135 -0.634 -11.964 333 HB2 ARG 48 HB2 ARG 48 -10.578 -1.608 -10.625 334 HB3 ARG 48 HB3 ARG 48 -10.699 -1.293 -12.373 335 HG2 ARG 48 HG2 ARG 48 -11.391 0.853 -10.409 336 HG3 ARG 48 HG3 ARG 48 -9.754 0.586 -10.818 337 HD2 ARG 48 HD2 ARG 48 -11.858 1.247 -12.909 338 HD3 ARG 48 HD3 ARG 48 -10.668 2.331 -12.063 339 HE ARG 48 HE ARG 48 -8.974 1.025 -13.193 340 HH11 ARG 48 HH11 ARG 48 -12.152 -0.127 -14.378 341 HH12 ARG 48 HH12 ARG 48 -11.340 -0.833 -15.788 342 HH21 ARG 48 HH21 ARG 48 -8.154 0.039 -15.035 343 HH22 ARG 48 HH22 ARG 48 -9.213 -0.811 -16.041 344 H THR 49 H THR 49 -14.020 -1.998 -13.451 345 HA THR 49 HA THR 49 -14.272 -4.728 -13.479 346 HB THR 49 HB THR 49 -15.423 -4.190 -15.758 347 HG1 THR 49 HG1 THR 49 -14.739 -2.314 -16.539 348 HG21 THR 49 HG21 THR 49 -16.452 -4.152 -13.587 349 HG22 THR 49 HG22 THR 49 -16.115 -2.375 -13.464 350 HG23 THR 49 HG23 THR 49 -17.137 -2.877 -14.747 351 H ASP 50 H ASP 50 -11.627 -3.059 -14.449 352 HA ASP 50 HA ASP 50 -10.466 -5.516 -15.414 353 HB2 ASP 50 HB2 ASP 50 -9.488 -4.764 -17.446 354 HB3 ASP 50 HB3 ASP 50 -11.162 -4.908 -17.388 355 H GLY 51 H GLY 51 -8.042 -4.569 -15.905 356 HA2 GLY 51 HA2 GLY 51 -7.144 -3.421 -13.402 357 HA3 GLY 51 HA3 GLY 51 -6.884 -5.066 -14.181 358 H GLY 52 H GLY 52 -4.748 -4.386 -13.392 359 HA2 GLY 52 HA2 GLY 52 -2.476 -3.640 -13.684 360 HA3 GLY 52 HA3 GLY 52 -2.997 -3.814 -15.391 361 H ASP 53 H ASP 53 -4.137 -1.512 -13.006 362 HA ASP 53 HA ASP 53 -3.516 0.738 -14.807 363 HB2 ASP 53 HB2 ASP 53 -5.067 0.910 -12.194 364 HB3 ASP 53 HB3 ASP 53 -4.768 2.159 -13.406 365 HA PRO 54 HA PRO 54 0.182 1.335 -12.770 366 HB2 PRO 54 HB3 PRO 54 0.864 3.932 -13.365 367 HB3 PRO 54 HB2 PRO 54 1.128 2.628 -14.414 368 HG2 PRO 54 HG3 PRO 54 -1.278 4.468 -14.221 369 HG3 PRO 54 HG2 PRO 54 -0.637 3.856 -15.858 370 HD2 PRO 54 HD3 PRO 54 -2.879 2.817 -14.840 371 HD3 PRO 54 HD2 PRO 54 -1.485 1.822 -15.491 372 H PHE 55 H PHE 55 1.168 1.857 -10.959 373 HA PHE 55 HA PHE 55 -0.019 3.768 -9.114 374 HB2 PHE 55 HB2 PHE 55 -0.702 0.803 -9.114 375 HB3 PHE 55 HB3 PHE 55 -0.245 1.415 -7.591 376 HD1 PHE 55 HD1 PHE 55 -1.036 3.654 -6.782 377 HD2 PHE 55 HD2 PHE 55 -3.003 1.144 -9.549 378 HE1 PHE 55 HE1 PHE 55 -3.302 4.606 -6.018 379 HE2 PHE 55 HE2 PHE 55 -5.296 2.210 -9.008 380 HZ PHE 55 HZ PHE 55 -5.290 3.871 -7.082 381 H GLU 56 H GLU 56 1.027 3.974 -7.074 382 HA GLU 56 HA GLU 56 3.630 2.609 -6.758 383 HB2 GLU 56 HB2 GLU 56 3.717 4.634 -8.420 384 HB3 GLU 56 HB3 GLU 56 3.507 5.620 -7.010 385 HG2 GLU 56 HG2 GLU 56 5.627 4.850 -6.088 386 HG3 GLU 56 HG3 GLU 56 5.719 3.570 -7.243 387 H VAL 57 H VAL 57 4.427 2.468 -5.013 388 HA VAL 57 HA VAL 57 3.355 3.985 -2.653 389 HB VAL 57 HB VAL 57 3.944 0.933 -2.658 390 HG11 VAL 57 HG11 VAL 57 2.486 2.935 -0.747 391 HG12 VAL 57 HG12 VAL 57 2.622 1.165 -0.594 392 HG13 VAL 57 HG13 VAL 57 4.015 2.317 -0.340 393 HG21 VAL 57 HG21 VAL 57 2.145 1.185 -4.078 394 HG22 VAL 57 HG22 VAL 57 1.637 0.543 -2.630 395 HG23 VAL 57 HG23 VAL 57 1.391 2.362 -3.062 396 H ALA 58 H ALA 58 4.988 5.261 -2.918 397 HA ALA 58 HA ALA 58 7.716 4.314 -2.013 398 HB1 ALA 58 HB1 ALA 58 7.467 5.845 -4.165 399 HB2 ALA 58 HB2 ALA 58 6.820 7.013 -3.227 400 HB3 ALA 58 HB3 ALA 58 8.453 6.508 -2.851 401 H ILE 59 H ILE 59 8.722 4.656 -0.474 402 HA ILE 59 HA ILE 59 7.437 6.099 1.687 403 HB ILE 59 HB ILE 59 8.900 3.384 1.643 404 HG12 ILE 59 HG12 ILE 59 5.932 3.827 1.719 405 HG13 ILE 59 HG13 ILE 59 7.028 3.098 0.508 406 HG21 ILE 59 HG21 ILE 59 7.521 4.842 3.908 407 HG22 ILE 59 HG22 ILE 59 7.971 3.253 4.158 408 HG23 ILE 59 HG23 ILE 59 9.289 4.465 3.696 409 HD11 ILE 59 HD11 ILE 59 6.202 1.905 3.222 410 HD12 ILE 59 HD12 ILE 59 5.815 1.341 1.645 411 HD13 ILE 59 HD13 ILE 59 7.527 1.356 2.148 412 H ASN 60 H ASN 60 8.659 6.833 3.442 413 HA ASN 60 HA ASN 60 11.564 7.090 2.975 414 HB2 ASN 60 HB2 ASN 60 9.464 9.036 3.873 415 HB3 ASN 60 HB3 ASN 60 11.188 9.209 4.439 416 HD21 ASN 60 HD21 ASN 60 12.730 9.832 3.054 417 HD22 ASN 60 HD22 ASN 60 12.415 10.431 1.400 418 H GLY 61 H GLY 61 12.675 6.055 4.564 419 HA2 GLY 61 HA2 GLY 61 11.475 5.935 7.240 420 HA3 GLY 61 HA3 GLY 61 12.191 4.588 6.453 421 HA PRO 62 HA PRO 62 14.940 7.152 9.252 422 HB2 PRO 62 HB3 PRO 62 16.093 4.597 10.289 423 HB3 PRO 62 HB2 PRO 62 15.355 5.992 11.187 424 HG2 PRO 62 HG3 PRO 62 14.159 3.619 10.795 425 HG3 PRO 62 HG2 PRO 62 13.175 5.123 10.739 426 HD2 PRO 62 HD3 PRO 62 13.845 3.551 8.416 427 HD3 PRO 62 HD2 PRO 62 12.415 4.372 8.750 428 H ASP 63 H ASP 63 17.051 7.779 9.152 429 HA ASP 63 HA ASP 63 18.920 8.437 7.961 430 HB2 ASP 63 HB2 ASP 63 19.734 5.587 8.072 431 HB3 ASP 63 HB3 ASP 63 20.674 7.078 7.650 432 H GLY 64 H GLY 64 19.831 6.142 5.715 433 HA2 GLY 64 HA2 GLY 64 18.978 7.770 3.597 434 HA3 GLY 64 HA3 GLY 64 19.918 6.348 3.613 435 H LEU 65 H LEU 65 16.843 5.465 5.061 436 HA LEU 65 HA LEU 65 16.270 3.770 2.788 437 HB2 LEU 65 HB2 LEU 65 15.009 4.308 5.485 438 HB3 LEU 65 HB3 LEU 65 14.567 3.009 4.356 439 HG LEU 65 HG LEU 65 17.179 3.040 5.653 440 HD11 LEU 65 HD11 LEU 65 16.165 1.141 7.030 441 HD12 LEU 65 HD12 LEU 65 15.166 2.522 7.203 442 HD13 LEU 65 HD13 LEU 65 14.771 1.238 5.983 443 HD21 LEU 65 HD21 LEU 65 15.769 1.109 3.768 444 HD22 LEU 65 HD22 LEU 65 17.386 1.947 3.550 445 HD23 LEU 65 HD23 LEU 65 17.153 0.658 4.736 446 H VAL 66 H VAL 66 16.052 5.710 1.616 447 HA VAL 66 HA VAL 66 13.109 6.086 0.997 448 HB VAL 66 HB VAL 66 13.743 6.164 -1.321 449 HG11 VAL 66 HG11 VAL 66 13.077 8.021 -0.412 450 HG12 VAL 66 HG12 VAL 66 14.613 8.257 0.554 451 HG13 VAL 66 HG13 VAL 66 14.473 8.630 -1.156 452 HG21 VAL 66 HG21 VAL 66 16.038 5.184 -1.179 453 HG22 VAL 66 HG22 VAL 66 16.194 6.864 -1.850 454 HG23 VAL 66 HG23 VAL 66 16.660 6.456 -0.166 455 H VAL 67 H VAL 67 11.657 4.535 0.475 456 HA VAL 67 HA VAL 67 12.662 1.886 -0.286 457 HB VAL 67 HB VAL 67 10.897 2.423 2.115 458 HG11 VAL 67 HG11 VAL 67 10.641 0.002 2.355 459 HG12 VAL 67 HG12 VAL 67 10.123 0.481 0.692 460 HG13 VAL 67 HG13 VAL 67 11.667 -0.204 0.946 461 HG21 VAL 67 HG21 VAL 67 13.165 2.779 2.623 462 HG22 VAL 67 HG22 VAL 67 12.650 1.253 3.365 463 HG23 VAL 67 HG23 VAL 67 13.553 1.093 1.884 464 H ASP 68 H ASP 68 11.294 0.892 -1.572 465 HA ASP 68 HA ASP 68 8.636 2.117 -2.088 466 HB2 ASP 68 HB2 ASP 68 9.797 2.949 -3.997 467 HB3 ASP 68 HB3 ASP 68 10.492 1.451 -4.426 468 H ALA 69 H ALA 69 6.950 0.955 -2.236 469 HA ALA 69 HA ALA 69 7.192 -1.908 -1.390 470 HB1 ALA 69 HB1 ALA 69 5.211 -1.358 -0.119 471 HB2 ALA 69 HB2 ALA 69 6.310 0.064 0.097 472 HB3 ALA 69 HB3 ALA 69 4.879 0.058 -1.000 473 H LYS 70 H LYS 70 6.258 -3.567 -2.043 474 HA LYS 70 HA LYS 70 5.846 -3.173 -4.883 475 HB2 LYS 70 HB2 LYS 70 7.263 -4.887 -4.036 476 HB3 LYS 70 HB3 LYS 70 5.918 -5.814 -3.463 477 HG2 LYS 70 HG2 LYS 70 4.926 -5.900 -5.709 478 HG3 LYS 70 HG3 LYS 70 6.174 -4.910 -6.313 479 HD2 LYS 70 HD2 LYS 70 6.531 -7.358 -6.915 480 HD3 LYS 70 HD3 LYS 70 7.824 -6.773 -5.815 481 HE2 LYS 70 HE2 LYS 70 6.601 -7.623 -3.883 482 HE3 LYS 70 HE3 LYS 70 5.344 -8.334 -4.931 483 HZ1 LYS 70 HZ1 LYS 70 7.084 -9.755 -5.914 484 HZ2 LYS 70 HZ2 LYS 70 8.146 -9.133 -4.772 485 HZ3 LYS 70 HZ3 LYS 70 6.784 -9.925 -4.356 486 H VAL 71 H VAL 71 4.164 -2.767 -5.961 487 HA VAL 71 HA VAL 71 1.382 -3.354 -4.926 488 HB VAL 71 HB VAL 71 2.379 -2.132 -7.421 489 HG11 VAL 71 HG11 VAL 71 -0.022 -2.791 -7.535 490 HG12 VAL 71 HG12 VAL 71 -0.395 -2.197 -5.940 491 HG13 VAL 71 HG13 VAL 71 0.073 -1.059 -7.331 492 HG21 VAL 71 HG21 VAL 71 1.843 0.139 -6.433 493 HG22 VAL 71 HG22 VAL 71 1.375 -0.711 -4.960 494 HG23 VAL 71 HG23 VAL 71 3.059 -0.769 -5.544 495 H THR 72 H THR 72 0.417 -5.154 -5.382 496 HA THR 72 HA THR 72 0.860 -6.320 -8.131 497 HB THR 72 HB THR 72 0.475 -7.995 -5.628 498 HG1 THR 72 HG1 THR 72 2.525 -7.448 -5.614 499 HG21 THR 72 HG21 THR 72 1.131 -9.034 -8.375 500 HG22 THR 72 HG22 THR 72 0.647 -9.847 -6.841 501 HG23 THR 72 HG23 THR 72 -0.574 -9.114 -7.802 502 H ASP 73 H ASP 73 -0.877 -6.702 -9.362 503 HA ASP 73 HA ASP 73 -3.418 -5.622 -8.669 504 HB2 ASP 73 HB2 ASP 73 -2.622 -5.271 -10.809 505 HB3 ASP 73 HB3 ASP 73 -2.490 -7.113 -11.056 506 H ASN 74 H ASN 74 -4.865 -6.797 -7.685 507 HA ASN 74 HA ASN 74 -4.663 -9.741 -7.366 508 HB2 ASN 74 HB2 ASN 74 -6.695 -7.888 -6.111 509 HB3 ASN 74 HB3 ASN 74 -6.378 -9.656 -5.741 510 HD21 ASN 74 HD21 ASN 74 -6.110 -6.769 -4.221 511 HD22 ASN 74 HD22 ASN 74 -4.548 -7.050 -3.465 512 H ASN 75 H ASN 75 -6.057 -8.001 -9.749 513 HA ASN 75 HA ASN 75 -7.260 -8.323 -11.331 514 HB2 ASN 75 HB2 ASN 75 -7.482 -11.357 -10.660 515 HB3 ASN 75 HB3 ASN 75 -7.935 -10.509 -12.081 516 HD21 ASN 75 HD21 ASN 75 -4.689 -10.217 -10.336 517 HD22 ASN 75 HD22 ASN 75 -3.891 -10.856 -11.749 518 H ASP 76 H ASP 76 -8.567 -7.754 -8.831 519 HA ASP 76 HA ASP 76 -11.295 -8.805 -9.308 520 HB2 ASP 76 HB2 ASP 76 -11.501 -8.889 -6.832 521 HB3 ASP 76 HB3 ASP 76 -10.428 -10.002 -7.517 522 H GLY 77 H GLY 77 -9.563 -5.971 -9.220 523 HA2 GLY 77 HA2 GLY 77 -10.868 -3.813 -9.521 524 HA3 GLY 77 HA3 GLY 77 -11.702 -4.177 -7.975 525 H THR 78 H THR 78 -9.031 -5.400 -7.025 526 HA THR 78 HA THR 78 -7.817 -2.989 -5.984 527 HB THR 78 HB THR 78 -7.788 -3.951 -3.836 528 HG1 THR 78 HG1 THR 78 -8.268 -6.247 -5.272 529 HG21 THR 78 HG21 THR 78 -9.888 -4.624 -3.204 530 HG22 THR 78 HG22 THR 78 -10.182 -3.506 -4.524 531 HG23 THR 78 HG23 THR 78 -10.263 -5.359 -4.684 532 H TYR 79 H TYR 79 -5.718 -3.242 -5.083 533 HA TYR 79 HA TYR 79 -3.873 -5.154 -6.329 534 HB2 TYR 79 HB2 TYR 79 -3.532 -2.292 -5.493 535 HB3 TYR 79 HB3 TYR 79 -2.364 -3.230 -6.170 536 HD1 TYR 79 HD1 TYR 79 -2.193 -3.574 -8.429 537 HD2 TYR 79 HD2 TYR 79 -5.884 -1.879 -7.069 538 HE1 TYR 79 HE1 TYR 79 -2.891 -2.969 -10.848 539 HE2 TYR 79 HE2 TYR 79 -6.583 -1.450 -9.316 540 HH TYR 79 HH TYR 79 -6.075 -1.737 -11.469 541 H GLY 80 H GLY 80 -2.280 -6.076 -4.790 542 HA2 GLY 80 HA2 GLY 80 -2.687 -5.683 -1.941 543 HA3 GLY 80 HA3 GLY 80 -1.869 -7.054 -2.702 544 H VAL 81 H VAL 81 -0.963 -5.009 -0.760 545 HA VAL 81 HA VAL 81 1.571 -4.157 -2.089 546 HB VAL 81 HB VAL 81 0.225 -2.388 -0.074 547 HG11 VAL 81 HG11 VAL 81 2.413 -2.077 -1.958 548 HG12 VAL 81 HG12 VAL 81 1.796 -0.748 -0.889 549 HG13 VAL 81 HG13 VAL 81 2.513 -2.173 -0.107 550 HG21 VAL 81 HG21 VAL 81 0.161 -2.123 -3.128 551 HG22 VAL 81 HG22 VAL 81 -1.265 -2.134 -2.201 552 HG23 VAL 81 HG23 VAL 81 -0.227 -0.768 -2.058 553 H VAL 82 H VAL 82 3.355 -4.678 -1.173 554 HA VAL 82 HA VAL 82 3.155 -5.700 1.625 555 HB VAL 82 HB VAL 82 2.970 -7.473 0.015 556 HG11 VAL 82 HG11 VAL 82 4.250 -6.901 -1.881 557 HG12 VAL 82 HG12 VAL 82 5.785 -6.883 -0.885 558 HG13 VAL 82 HG13 VAL 82 5.025 -8.358 -1.257 559 HG21 VAL 82 HG21 VAL 82 3.715 -7.994 2.065 560 HG22 VAL 82 HG22 VAL 82 4.737 -8.930 0.908 561 HG23 VAL 82 HG23 VAL 82 5.414 -7.543 1.911 562 H TYR 83 H TYR 83 4.865 -5.375 2.739 563 HA TYR 83 HA TYR 83 7.354 -4.740 1.550 564 HB2 TYR 83 HB2 TYR 83 7.892 -2.495 2.421 565 HB3 TYR 83 HB3 TYR 83 6.504 -2.525 1.370 566 HD1 TYR 83 HD1 TYR 83 4.229 -2.812 2.765 567 HD2 TYR 83 HD2 TYR 83 7.796 -0.881 4.001 568 HE1 TYR 83 HE1 TYR 83 2.835 -1.327 4.057 569 HE2 TYR 83 HE2 TYR 83 6.426 0.720 5.381 570 HH TYR 83 HH TYR 83 3.020 0.505 5.617 571 H ASP 84 H ASP 84 9.273 -4.127 3.339 572 HA ASP 84 HA ASP 84 8.453 -4.726 6.024 573 HB2 ASP 84 HB2 ASP 84 10.506 -6.339 6.191 574 HB3 ASP 84 HB3 ASP 84 9.121 -6.858 5.295 575 H ALA 85 H ALA 85 10.300 -4.534 7.735 576 HA ALA 85 HA ALA 85 11.579 -1.829 7.225 577 HB1 ALA 85 HB1 ALA 85 9.930 -2.804 9.612 578 HB2 ALA 85 HB2 ALA 85 11.182 -1.578 9.631 579 HB3 ALA 85 HB3 ALA 85 9.648 -1.478 8.614 580 HA PRO 86 HA PRO 86 14.854 -4.515 8.844 581 HB2 PRO 86 HB3 PRO 86 17.043 -3.186 8.050 582 HB3 PRO 86 HB2 PRO 86 16.158 -4.242 6.863 583 HG2 PRO 86 HG3 PRO 86 16.129 -1.267 7.396 584 HG3 PRO 86 HG2 PRO 86 16.008 -1.948 5.807 585 HD2 PRO 86 HD3 PRO 86 13.836 -1.047 7.181 586 HD3 PRO 86 HD2 PRO 86 13.719 -2.236 5.972 587 H VAL 87 H VAL 87 13.905 -1.408 9.791 588 HA VAL 87 HA VAL 87 15.589 -1.662 12.180 589 HB VAL 87 HB VAL 87 16.132 0.629 12.055 590 HG11 VAL 87 HG11 VAL 87 16.942 -0.893 9.506 591 HG12 VAL 87 HG12 VAL 87 17.739 0.491 10.169 592 HG13 VAL 87 HG13 VAL 87 17.763 -0.956 11.157 593 HG21 VAL 87 HG21 VAL 87 14.984 0.481 9.275 594 HG22 VAL 87 HG22 VAL 87 14.329 1.451 10.749 595 HG23 VAL 87 HG23 VAL 87 15.823 1.888 9.960 596 H GLU 88 H GLU 88 14.760 -1.168 13.932 597 HA GLU 88 HA GLU 88 12.026 -0.444 14.538 598 HB2 GLU 88 HB2 GLU 88 13.579 -1.449 16.113 599 HB3 GLU 88 HB3 GLU 88 14.351 0.246 16.091 600 HG2 GLU 88 HG2 GLU 88 12.206 1.102 16.825 601 HG3 GLU 88 HG3 GLU 88 11.524 -0.525 17.060 602 H GLY 89 H GLY 89 10.894 1.475 14.075 603 HA2 GLY 89 HA2 GLY 89 11.860 4.121 14.389 604 HA3 GLY 89 HA3 GLY 89 12.374 3.416 12.845 605 H ASN 90 H ASN 90 10.930 5.500 12.371 606 HA ASN 90 HA ASN 90 8.092 4.668 11.905 607 HB2 ASN 90 HB2 ASN 90 8.458 6.648 13.276 608 HB3 ASN 90 HB3 ASN 90 9.461 7.319 11.871 609 HD21 ASN 90 HD21 ASN 90 8.378 8.466 10.303 610 HD22 ASN 90 HD22 ASN 90 6.651 8.639 10.242 611 H TYR 91 H TYR 91 7.277 4.528 9.938 612 HA TYR 91 HA TYR 91 8.944 5.221 7.715 613 HB2 TYR 91 HB2 TYR 91 6.923 3.138 8.071 614 HB3 TYR 91 HB3 TYR 91 6.896 3.784 6.516 615 HD1 TYR 91 HD1 TYR 91 9.992 4.037 6.077 616 HD2 TYR 91 HD2 TYR 91 7.464 0.947 7.420 617 HE1 TYR 91 HE1 TYR 91 11.735 2.374 5.256 618 HE2 TYR 91 HE2 TYR 91 9.030 -0.695 6.470 619 HH TYR 91 HH TYR 91 11.022 -1.091 5.427 620 H ASN 92 H ASN 92 8.111 6.622 6.200 621 HA ASN 92 HA ASN 92 5.357 7.477 6.524 622 HB2 ASN 92 HB2 ASN 92 7.013 9.184 7.293 623 HB3 ASN 92 HB3 ASN 92 7.832 9.189 5.699 624 HD21 ASN 92 HD21 ASN 92 5.277 10.398 7.626 625 HD22 ASN 92 HD22 ASN 92 4.907 11.801 6.548 626 H VAL 93 H VAL 93 4.001 7.593 5.321 627 HA VAL 93 HA VAL 93 4.608 6.261 2.665 628 HB VAL 93 HB VAL 93 2.536 5.537 4.548 629 HG11 VAL 93 HG11 VAL 93 3.279 3.865 2.124 630 HG12 VAL 93 HG12 VAL 93 1.975 3.588 3.162 631 HG13 VAL 93 HG13 VAL 93 1.859 4.995 2.163 632 HG21 VAL 93 HG21 VAL 93 4.574 4.675 5.456 633 HG22 VAL 93 HG22 VAL 93 3.766 3.380 4.637 634 HG23 VAL 93 HG23 VAL 93 5.114 4.166 3.797 635 H ASN 94 H ASN 94 3.777 6.755 0.953 636 HA ASN 94 HA ASN 94 1.353 8.450 0.735 637 HB2 ASN 94 HB2 ASN 94 3.422 9.820 0.519 638 HB3 ASN 94 HB3 ASN 94 3.905 8.760 -0.861 639 HD21 ASN 94 HD21 ASN 94 3.921 10.914 -1.933 640 HD22 ASN 94 HD22 ASN 94 2.389 11.482 -2.629 641 H VAL 95 H VAL 95 0.000 7.733 -0.906 642 HA VAL 95 HA VAL 95 0.921 5.550 -2.701 643 HB VAL 95 HB VAL 95 -1.690 5.657 -1.266 644 HG11 VAL 95 HG11 VAL 95 -2.245 3.670 -2.668 645 HG12 VAL 95 HG12 VAL 95 -2.144 5.093 -3.630 646 HG13 VAL 95 HG13 VAL 95 -0.795 3.934 -3.652 647 HG21 VAL 95 HG21 VAL 95 0.305 4.791 -0.161 648 HG22 VAL 95 HG22 VAL 95 -0.938 3.480 -0.563 649 HG23 VAL 95 HG23 VAL 95 0.511 3.602 -1.446 650 H THR 96 H THR 96 1.009 6.081 -4.672 651 HA THR 96 HA THR 96 -0.704 8.285 -5.541 652 HB THR 96 HB THR 96 0.913 9.184 -6.949 653 HG1 THR 96 HG1 THR 96 2.997 8.623 -6.682 654 HG21 THR 96 HG21 THR 96 0.476 10.139 -4.709 655 HG22 THR 96 HG22 THR 96 1.714 9.012 -4.023 656 HG23 THR 96 HG23 THR 96 2.206 10.315 -5.014 657 H LEU 97 H LEU 97 -1.252 8.441 -7.790 658 HA LEU 97 HA LEU 97 -2.024 5.809 -8.666 659 HB2 LEU 97 HB2 LEU 97 -3.420 7.146 -7.156 660 HB3 LEU 97 HB3 LEU 97 -3.536 8.457 -8.234 661 HG LEU 97 HG LEU 97 -4.396 5.611 -9.026 662 HD11 LEU 97 HD11 LEU 97 -5.644 6.106 -7.013 663 HD12 LEU 97 HD12 LEU 97 -5.784 7.833 -7.418 664 HD13 LEU 97 HD13 LEU 97 -6.768 6.667 -8.261 665 HD21 LEU 97 HD21 LEU 97 -5.112 8.366 -10.063 666 HD22 LEU 97 HD22 LEU 97 -4.429 7.121 -10.980 667 HD23 LEU 97 HD23 LEU 97 -6.124 6.960 -10.356 668 H ARG 98 H ARG 98 -1.163 5.592 -10.652 669 HA ARG 98 HA ARG 98 0.112 6.249 -12.473 670 HB2 ARG 98 HB2 ARG 98 -2.188 6.324 -13.144 671 HB3 ARG 98 HB3 ARG 98 -2.099 8.064 -13.125 672 HG2 ARG 98 HG2 ARG 98 -0.247 8.177 -14.773 673 HG3 ARG 98 HG3 ARG 98 -0.128 6.356 -14.657 674 HD2 ARG 98 HD2 ARG 98 -2.128 6.108 -15.723 675 HD3 ARG 98 HD3 ARG 98 -2.624 7.792 -15.676 676 HE ARG 98 HE ARG 98 -0.227 6.903 -17.103 677 HH11 ARG 98 HH11 ARG 98 -3.676 7.627 -17.521 678 HH12 ARG 98 HH12 ARG 98 -3.466 7.762 -19.208 679 HH21 ARG 98 HH21 ARG 98 -0.319 6.591 -19.368 680 HH22 ARG 98 HH22 ARG 98 -1.432 7.554 -20.326 681 H GLY 99 H GLY 99 1.312 7.197 -10.342 682 HA2 GLY 99 HA2 GLY 99 2.396 8.833 -9.295 683 HA3 GLY 99 HA3 GLY 99 2.366 9.312 -11.040 684 H ASN 100 H ASN 100 -0.703 9.706 -9.773 685 HA ASN 100 HA ASN 100 -0.470 12.594 -8.741 686 HB2 ASN 100 HB2 ASN 100 -2.881 10.983 -9.627 687 HB3 ASN 100 HB3 ASN 100 -2.832 12.648 -9.247 688 HD21 ASN 100 HD21 ASN 100 -2.384 10.124 -11.619 689 HD22 ASN 100 HD22 ASN 100 -1.779 11.149 -12.883 690 HA PRO 101 HA PRO 101 -1.513 10.893 -4.848 691 HB2 PRO 101 HB3 PRO 101 -1.984 13.223 -3.420 692 HB3 PRO 101 HB2 PRO 101 -0.304 12.871 -4.021 693 HG2 PRO 101 HG3 PRO 101 -2.380 14.775 -5.091 694 HG3 PRO 101 HG2 PRO 101 -0.625 14.843 -5.027 695 HD2 PRO 101 HD3 PRO 101 -2.032 14.097 -7.270 696 HD3 PRO 101 HD2 PRO 101 -0.350 13.680 -7.117 697 H ILE 102 H ILE 102 -3.066 11.122 -2.971 698 HA ILE 102 HA ILE 102 -5.635 11.767 -3.969 699 HB ILE 102 HB ILE 102 -6.804 9.752 -2.929 700 HG12 ILE 102 HG12 ILE 102 -3.878 8.705 -2.993 701 HG13 ILE 102 HG13 ILE 102 -4.853 9.007 -1.581 702 HG21 ILE 102 HG21 ILE 102 -6.426 10.043 -5.302 703 HG22 ILE 102 HG22 ILE 102 -4.870 9.273 -5.197 704 HG23 ILE 102 HG23 ILE 102 -6.320 8.259 -4.835 705 HD11 ILE 102 HD11 ILE 102 -5.431 6.733 -3.565 706 HD12 ILE 102 HD12 ILE 102 -4.324 6.765 -2.135 707 HD13 ILE 102 HD13 ILE 102 -6.077 7.016 -1.971 708 H LYS 103 H LYS 103 -7.054 10.722 -1.605 709 HA LYS 103 HA LYS 103 -6.679 13.077 0.066 710 HB2 LYS 103 HB2 LYS 103 -8.465 10.661 0.140 711 HB3 LYS 103 HB3 LYS 103 -8.571 11.922 1.242 712 HG2 LYS 103 HG2 LYS 103 -9.241 13.584 -0.277 713 HG3 LYS 103 HG3 LYS 103 -8.940 12.598 -1.697 714 HD2 LYS 103 HD2 LYS 103 -10.547 10.939 -1.036 715 HD3 LYS 103 HD3 LYS 103 -11.168 12.003 0.318 716 HE2 LYS 103 HE2 LYS 103 -11.309 12.278 -2.655 717 HE3 LYS 103 HE3 LYS 103 -12.601 11.896 -1.534 718 HZ1 LYS 103 HZ1 LYS 103 -12.557 14.208 -2.265 719 HZ2 LYS 103 HZ2 LYS 103 -12.754 13.952 -0.722 720 HZ3 LYS 103 HZ3 LYS 103 -11.252 14.496 -1.239 721 H ASN 104 H ASN 104 -6.560 12.708 2.508 722 HA ASN 104 HA ASN 104 -5.694 11.852 4.448 723 HB2 ASN 104 HB2 ASN 104 -6.864 9.448 3.146 724 HB3 ASN 104 HB3 ASN 104 -6.566 9.564 4.872 725 HD21 ASN 104 HD21 ASN 104 -7.618 11.748 5.866 726 HD22 ASN 104 HD22 ASN 104 -9.279 11.828 5.365 727 H MET 105 H MET 105 -3.782 11.680 2.037 728 HA MET 105 HA MET 105 -1.623 10.095 3.261 729 HB2 MET 105 HB2 MET 105 -2.710 10.689 0.501 730 HB3 MET 105 HB3 MET 105 -0.994 10.262 0.662 731 HG2 MET 105 HG2 MET 105 -3.247 8.464 1.621 732 HG3 MET 105 HG3 MET 105 -2.462 8.412 -0.013 733 HE1 MET 105 HE1 MET 105 -2.238 5.748 0.960 734 HE2 MET 105 HE2 MET 105 -1.300 5.188 2.402 735 HE3 MET 105 HE3 MET 105 -2.767 6.251 2.483 736 HA PRO 106 HA PRO 106 0.768 10.240 2.832 737 HB2 PRO 106 HB3 PRO 106 3.022 11.189 4.107 738 HB3 PRO 106 HB2 PRO 106 2.745 11.195 2.318 739 HG2 PRO 106 HG3 PRO 106 1.935 13.322 4.356 740 HG3 PRO 106 HG2 PRO 106 3.135 13.635 3.077 741 HD2 PRO 106 HD3 PRO 106 0.455 14.190 2.741 742 HD3 PRO 106 HD2 PRO 106 1.198 13.212 1.432 743 H ILE 107 H ILE 107 1.470 9.036 4.591 744 HA ILE 107 HA ILE 107 0.619 9.928 7.240 745 HB ILE 107 HB ILE 107 -0.376 7.705 7.656 746 HG12 ILE 107 HG12 ILE 107 -0.195 7.549 4.523 747 HG13 ILE 107 HG13 ILE 107 0.878 6.686 5.638 748 HG21 ILE 107 HG21 ILE 107 -1.680 9.727 7.047 749 HG22 ILE 107 HG22 ILE 107 -1.903 8.962 5.426 750 HG23 ILE 107 HG23 ILE 107 -2.393 8.085 6.908 751 HD11 ILE 107 HD11 ILE 107 -0.614 5.121 4.919 752 HD12 ILE 107 HD12 ILE 107 -1.206 5.487 6.521 753 HD13 ILE 107 HD13 ILE 107 -1.999 6.235 5.085 754 H ASP 108 H ASP 108 1.507 8.646 9.134 755 HA ASP 108 HA ASP 108 4.026 7.307 8.541 756 HB2 ASP 108 HB2 ASP 108 3.051 8.616 11.170 757 HB3 ASP 108 HB3 ASP 108 4.618 7.990 10.867 758 H VAL 109 H VAL 109 4.576 5.472 9.120 759 HA VAL 109 HA VAL 109 2.700 3.567 10.640 760 HB VAL 109 HB VAL 109 4.406 3.093 8.199 761 HG11 VAL 109 HG11 VAL 109 4.130 1.053 9.748 762 HG12 VAL 109 HG12 VAL 109 2.315 1.367 9.440 763 HG13 VAL 109 HG13 VAL 109 3.533 0.959 8.153 764 HG21 VAL 109 HG21 VAL 109 2.464 4.148 7.264 765 HG22 VAL 109 HG22 VAL 109 1.992 2.611 7.283 766 HG23 VAL 109 HG23 VAL 109 1.515 3.625 8.664 767 H LYS 110 H LYS 110 3.579 2.349 12.067 768 HA LYS 110 HA LYS 110 6.332 2.883 12.887 769 HB2 LYS 110 HB2 LYS 110 4.133 1.676 14.458 770 HB3 LYS 110 HB3 LYS 110 5.707 1.912 15.094 771 HG2 LYS 110 HG2 LYS 110 3.926 4.156 14.174 772 HG3 LYS 110 HG3 LYS 110 4.199 3.642 15.779 773 HD2 LYS 110 HD2 LYS 110 6.720 4.289 15.416 774 HD3 LYS 110 HD3 LYS 110 6.107 4.781 13.810 775 HE2 LYS 110 HE2 LYS 110 4.735 5.936 16.275 776 HE3 LYS 110 HE3 LYS 110 6.349 6.462 15.921 777 HZ1 LYS 110 HZ1 LYS 110 4.089 6.510 13.977 778 HZ2 LYS 110 HZ2 LYS 110 4.700 7.800 14.754 779 HZ3 LYS 110 HZ3 LYS 110 5.588 7.051 13.625 780 H CYS 111 H CYS 111 7.833 1.638 13.030 781 HA CYS 111 HA CYS 111 7.996 -1.096 11.820 782 HB2 CYS 111 HB2 CYS 111 10.236 0.831 12.329 783 HB3 CYS 111 HB3 CYS 111 10.122 -0.602 11.237 784 HG CYS 111 HG CYS 111 8.413 2.117 11.197 785 H ILE 112 H ILE 112 8.524 -2.651 13.241 786 HA ILE 112 HA ILE 112 10.508 -1.974 15.274 787 HB ILE 112 HB ILE 112 8.443 -3.968 15.969 788 HG12 ILE 112 HG12 ILE 112 8.788 -1.193 17.239 789 HG13 ILE 112 HG13 ILE 112 7.531 -1.621 16.093 790 HG21 ILE 112 HG21 ILE 112 9.533 -3.922 18.145 791 HG22 ILE 112 HG22 ILE 112 10.503 -4.588 16.948 792 HG23 ILE 112 HG23 ILE 112 10.902 -2.888 17.468 793 HD11 ILE 112 HD11 ILE 112 6.339 -1.673 17.971 794 HD12 ILE 112 HD12 ILE 112 6.805 -3.471 17.669 795 HD13 ILE 112 HD13 ILE 112 7.578 -2.486 18.840 796 H GLU 113 H GLU 113 12.414 -3.490 14.993 797 HA GLU 113 HA GLU 113 12.292 -4.899 12.650 798 HB2 GLU 113 HB2 GLU 113 14.656 -5.224 13.172 799 HB3 GLU 113 HB3 GLU 113 14.042 -3.568 13.102 800 HG2 GLU 113 HG2 GLU 113 13.860 -3.842 15.755 801 HG3 GLU 113 HG3 GLU 113 15.007 -5.152 15.477 802 H GLY 114 H GLY 114 10.521 -6.468 13.756 803 HA2 GLY 114 HA2 GLY 114 11.746 -8.928 14.797 804 HA3 GLY 114 HA3 GLY 114 10.048 -8.617 14.305 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -18.864 -11.674 -9.592 2 H2 MET 1 H2 MET 1 -19.661 -10.466 -10.374 3 H3 MET 1 H3 MET 1 -19.075 -11.695 -11.235 4 HA MET 1 HA MET 1 -17.627 -9.469 -9.873 5 HB2 MET 1 HB2 MET 1 -16.452 -11.663 -9.635 6 HB3 MET 1 HB3 MET 1 -16.642 -11.965 -11.322 7 HG2 MET 1 HG2 MET 1 -14.377 -11.085 -10.921 8 HG3 MET 1 HG3 MET 1 -15.203 -10.042 -12.029 9 HE1 MET 1 HE1 MET 1 -15.216 -10.236 -8.055 10 HE2 MET 1 HE2 MET 1 -13.617 -10.422 -8.623 11 HE3 MET 1 HE3 MET 1 -14.153 -8.868 -7.754 12 H HIS 2 H HIS 2 -17.903 -7.831 -10.790 13 HA HIS 2 HA HIS 2 -18.289 -7.723 -13.670 14 HB2 HIS 2 HB2 HIS 2 -18.069 -5.427 -11.615 15 HB3 HIS 2 HB3 HIS 2 -18.736 -5.288 -13.203 16 HD1 HIS 2 HD1 HIS 2 -21.202 -6.357 -13.669 17 HD2 HIS 2 HD2 HIS 2 -19.761 -6.310 -9.735 18 HE1 HIS 2 HE1 HIS 2 -23.246 -6.491 -12.197 19 H HIS 3 H HIS 3 -15.473 -8.150 -12.056 20 HA HIS 3 HA HIS 3 -13.913 -6.077 -13.494 21 HB2 HIS 3 HB2 HIS 3 -13.464 -6.397 -11.390 22 HB3 HIS 3 HB3 HIS 3 -12.905 -8.018 -11.536 23 HD1 HIS 3 HD1 HIS 3 -11.323 -4.907 -11.163 24 HD2 HIS 3 HD2 HIS 3 -10.832 -8.177 -13.769 25 HE1 HIS 3 HE1 HIS 3 -8.847 -5.038 -11.694 26 H HIS 4 H HIS 4 -12.927 -6.494 -15.517 27 HA HIS 4 HA HIS 4 -12.561 -9.150 -16.722 28 HB2 HIS 4 HB2 HIS 4 -15.088 -8.695 -16.594 29 HB3 HIS 4 HB3 HIS 4 -14.797 -7.453 -17.685 30 HD1 HIS 4 HD1 HIS 4 -12.893 -10.685 -18.113 31 HD2 HIS 4 HD2 HIS 4 -16.476 -8.916 -19.309 32 HE1 HIS 4 HE1 HIS 4 -13.772 -12.010 -20.187 33 H HIS 5 H HIS 5 -10.969 -8.704 -18.234 34 HA HIS 5 HA HIS 5 -10.481 -6.149 -19.648 35 HB2 HIS 5 HB2 HIS 5 -8.810 -8.632 -19.339 36 HB3 HIS 5 HB3 HIS 5 -8.536 -7.465 -20.505 37 HD1 HIS 5 HD1 HIS 5 -7.912 -4.927 -19.431 38 HD2 HIS 5 HD2 HIS 5 -7.525 -8.412 -17.184 39 HE1 HIS 5 HE1 HIS 5 -6.447 -4.288 -17.469 40 H HIS 6 H HIS 6 -12.192 -6.096 -21.017 41 HA HIS 6 HA HIS 6 -12.276 -8.013 -23.282 42 HB2 HIS 6 HB2 HIS 6 -14.243 -8.053 -21.452 43 HB3 HIS 6 HB3 HIS 6 -14.688 -6.567 -22.302 44 HD1 HIS 6 HD1 HIS 6 -16.397 -7.112 -24.216 45 HD2 HIS 6 HD2 HIS 6 -14.154 -10.370 -23.015 46 HE1 HIS 6 HE1 HIS 6 -17.442 -9.095 -25.304 47 H HIS 7 H HIS 7 -11.663 -5.048 -22.366 48 HA HIS 7 HA HIS 7 -12.291 -3.929 -25.024 49 HB2 HIS 7 HB2 HIS 7 -12.349 -2.514 -22.319 50 HB3 HIS 7 HB3 HIS 7 -12.654 -1.658 -23.819 51 HD1 HIS 7 HD1 HIS 7 -14.838 -2.796 -25.357 52 HD2 HIS 7 HD2 HIS 7 -14.464 -3.599 -21.225 53 HE1 HIS 7 HE1 HIS 7 -17.111 -3.409 -24.480 54 H ALA 8 H ALA 8 -10.516 -2.130 -25.730 55 HA ALA 8 HA ALA 8 -7.887 -2.510 -24.414 56 HB1 ALA 8 HB1 ALA 8 -8.743 -1.237 -27.071 57 HB2 ALA 8 HB2 ALA 8 -7.109 -1.313 -26.419 58 HB3 ALA 8 HB3 ALA 8 -7.978 -2.790 -26.929 59 H SER 9 H SER 9 -10.123 0.133 -24.699 60 HA SER 9 HA SER 9 -8.330 1.886 -23.326 61 HB2 SER 9 HB2 SER 9 -11.353 2.317 -23.614 62 HB3 SER 9 HB3 SER 9 -10.168 3.510 -23.295 63 HG SER 9 HG SER 9 -10.459 3.532 -25.440 64 H LYS 10 H LYS 10 -8.857 2.784 -21.201 65 HA LYS 10 HA LYS 10 -10.693 1.079 -19.630 66 HB2 LYS 10 HB2 LYS 10 -8.056 1.967 -18.681 67 HB3 LYS 10 HB3 LYS 10 -9.424 1.243 -17.715 68 HG2 LYS 10 HG2 LYS 10 -9.230 -0.840 -18.984 69 HG3 LYS 10 HG3 LYS 10 -7.843 -0.174 -19.881 70 HD2 LYS 10 HD2 LYS 10 -7.924 -0.546 -16.897 71 HD3 LYS 10 HD3 LYS 10 -7.067 -1.576 -17.908 72 HE2 LYS 10 HE2 LYS 10 -5.617 0.110 -18.687 73 HE3 LYS 10 HE3 LYS 10 -6.270 1.356 -17.744 74 HZ1 LYS 10 HZ1 LYS 10 -5.202 -1.308 -16.665 75 HZ2 LYS 10 HZ2 LYS 10 -4.352 -0.036 -16.739 76 HZ3 LYS 10 HZ3 LYS 10 -5.685 -0.155 -15.728 77 HA PRO 11 HA PRO 11 -11.501 5.087 -17.541 78 HB2 PRO 11 HB3 PRO 11 -13.258 3.950 -15.647 79 HB3 PRO 11 HB2 PRO 11 -13.877 4.589 -17.193 80 HG2 PRO 11 HG3 PRO 11 -13.768 1.844 -16.327 81 HG3 PRO 11 HG2 PRO 11 -14.600 2.735 -17.711 82 HD2 PRO 11 HD3 PRO 11 -12.176 1.131 -17.602 83 HD3 PRO 11 HD2 PRO 11 -12.955 1.787 -19.082 84 H ALA 12 H ALA 12 -11.106 5.747 -15.280 85 HA ALA 12 HA ALA 12 -8.604 4.412 -14.574 86 HB1 ALA 12 HB1 ALA 12 -9.062 7.344 -14.723 87 HB2 ALA 12 HB2 ALA 12 -7.565 6.520 -14.093 88 HB3 ALA 12 HB3 ALA 12 -8.021 6.340 -15.767 89 HA PRO 13 HA PRO 13 -9.980 5.101 -10.451 90 HB2 PRO 13 HB3 PRO 13 -7.266 5.605 -9.324 91 HB3 PRO 13 HB2 PRO 13 -8.415 4.231 -8.930 92 HG2 PRO 13 HG3 PRO 13 -6.171 3.766 -10.500 93 HG3 PRO 13 HG2 PRO 13 -7.672 2.787 -10.390 94 HD2 PRO 13 HD3 PRO 13 -6.884 4.636 -12.521 95 HD3 PRO 13 HD2 PRO 13 -8.049 3.310 -12.510 96 H SER 14 H SER 14 -10.197 6.814 -8.713 97 HA SER 14 HA SER 14 -9.025 9.485 -9.366 98 HB2 SER 14 HB2 SER 14 -11.283 9.482 -10.027 99 HB3 SER 14 HB3 SER 14 -11.968 8.936 -8.667 100 HG SER 14 HG SER 14 -11.911 11.296 -8.773 101 H ALA 15 H ALA 15 -8.600 10.758 -7.699 102 HA ALA 15 HA ALA 15 -7.790 9.650 -5.182 103 HB1 ALA 15 HB1 ALA 15 -6.814 11.726 -6.453 104 HB2 ALA 15 HB2 ALA 15 -8.175 12.583 -6.006 105 HB3 ALA 15 HB3 ALA 15 -7.132 12.021 -4.722 106 H GLU 16 H GLU 16 -10.709 11.126 -6.172 107 HA GLU 16 HA GLU 16 -12.097 11.129 -3.726 108 HB2 GLU 16 HB2 GLU 16 -13.109 10.665 -6.527 109 HB3 GLU 16 HB3 GLU 16 -14.114 10.930 -5.036 110 HG2 GLU 16 HG2 GLU 16 -13.198 12.979 -4.566 111 HG3 GLU 16 HG3 GLU 16 -12.291 12.982 -6.077 112 H HIS 17 H HIS 17 -11.146 8.554 -5.918 113 HA HIS 17 HA HIS 17 -12.662 6.457 -4.662 114 HB2 HIS 17 HB2 HIS 17 -12.267 7.308 -7.596 115 HB3 HIS 17 HB3 HIS 17 -13.041 5.804 -7.134 116 HD1 HIS 17 HD1 HIS 17 -15.287 6.199 -5.340 117 HD2 HIS 17 HD2 HIS 17 -14.080 9.118 -8.132 118 HE1 HIS 17 HE1 HIS 17 -17.077 7.975 -5.293 119 H SER 18 H SER 18 -9.863 7.147 -4.260 120 HA SER 18 HA SER 18 -9.125 4.247 -4.294 121 HB2 SER 18 HB2 SER 18 -8.123 4.969 -6.412 122 HB3 SER 18 HB3 SER 18 -7.321 6.258 -5.438 123 HG SER 18 HG SER 18 -6.436 4.510 -4.243 124 H TYR 19 H TYR 19 -8.636 3.504 -2.571 125 HA TYR 19 HA TYR 19 -7.396 5.023 -0.426 126 HB2 TYR 19 HB2 TYR 19 -10.249 4.161 -0.511 127 HB3 TYR 19 HB3 TYR 19 -9.379 4.355 1.027 128 HD1 TYR 19 HD1 TYR 19 -11.319 6.156 -1.372 129 HD2 TYR 19 HD2 TYR 19 -8.466 6.365 1.742 130 HE1 TYR 19 HE1 TYR 19 -11.839 8.671 -1.050 131 HE2 TYR 19 HE2 TYR 19 -8.764 8.810 1.880 132 HH TYR 19 HH TYR 19 -9.792 10.721 1.098 133 H ALA 20 H ALA 20 -6.237 3.743 1.027 134 HA ALA 20 HA ALA 20 -6.302 0.820 0.510 135 HB1 ALA 20 HB1 ALA 20 -4.007 2.534 1.531 136 HB2 ALA 20 HB2 ALA 20 -4.091 0.788 1.160 137 HB3 ALA 20 HB3 ALA 20 -4.361 2.073 -0.052 138 H GLU 21 H GLU 21 -6.278 -0.899 2.164 139 HA GLU 21 HA GLU 21 -6.070 0.083 4.762 140 HB2 GLU 21 HB2 GLU 21 -8.130 -1.576 5.478 141 HB3 GLU 21 HB3 GLU 21 -8.512 -0.201 4.509 142 HG2 GLU 21 HG2 GLU 21 -8.414 -1.689 2.443 143 HG3 GLU 21 HG3 GLU 21 -7.889 -2.987 3.441 144 H GLY 22 H GLY 22 -5.350 -1.371 6.303 145 HA2 GLY 22 HA2 GLY 22 -5.500 -4.003 6.576 146 HA3 GLY 22 HA3 GLY 22 -4.255 -3.966 5.334 147 H GLU 23 H GLU 23 -3.453 -5.220 7.306 148 HA GLU 23 HA GLU 23 -2.383 -3.835 9.504 149 HB2 GLU 23 HB2 GLU 23 -2.740 -6.355 9.212 150 HB3 GLU 23 HB3 GLU 23 -1.224 -6.353 8.282 151 HG2 GLU 23 HG2 GLU 23 -0.167 -5.215 10.456 152 HG3 GLU 23 HG3 GLU 23 -1.646 -5.259 11.153 153 H GLY 24 H GLY 24 -0.813 -4.312 6.199 154 HA2 GLY 24 HA2 GLY 24 1.660 -3.085 6.614 155 HA3 GLY 24 HA3 GLY 24 0.640 -3.322 5.311 156 H LEU 25 H LEU 25 -1.538 -1.461 7.126 157 HA LEU 25 HA LEU 25 0.219 0.804 7.371 158 HB2 LEU 25 HB2 LEU 25 -2.813 1.034 7.118 159 HB3 LEU 25 HB3 LEU 25 -1.657 2.321 7.274 160 HG LEU 25 HG LEU 25 -1.560 0.326 4.900 161 HD11 LEU 25 HD11 LEU 25 -3.063 2.990 5.262 162 HD12 LEU 25 HD12 LEU 25 -2.620 2.238 3.654 163 HD13 LEU 25 HD13 LEU 25 -3.666 1.348 4.860 164 HD21 LEU 25 HD21 LEU 25 0.498 1.463 5.244 165 HD22 LEU 25 HD22 LEU 25 -0.326 2.088 3.809 166 HD23 LEU 25 HD23 LEU 25 -0.223 2.999 5.353 167 H VAL 26 H VAL 26 0.136 -1.232 9.183 168 HA VAL 26 HA VAL 26 -0.359 0.480 11.580 169 HB VAL 26 HB VAL 26 -1.281 -2.336 11.205 170 HG11 VAL 26 HG11 VAL 26 -0.711 -2.200 13.454 171 HG12 VAL 26 HG12 VAL 26 -1.491 -0.606 13.724 172 HG13 VAL 26 HG13 VAL 26 -2.367 -2.203 13.543 173 HG21 VAL 26 HG21 VAL 26 -2.836 0.214 11.374 174 HG22 VAL 26 HG22 VAL 26 -2.959 -1.072 10.099 175 HG23 VAL 26 HG23 VAL 26 -3.527 -1.501 11.644 176 H LYS 27 H LYS 27 1.267 -2.659 10.529 177 HA LYS 27 HA LYS 27 3.384 -2.059 12.271 178 HB2 LYS 27 HB2 LYS 27 3.520 -4.101 13.384 179 HB3 LYS 27 HB3 LYS 27 2.253 -3.119 14.062 180 HG2 LYS 27 HG2 LYS 27 0.486 -4.322 13.015 181 HG3 LYS 27 HG3 LYS 27 1.586 -5.399 12.172 182 HD2 LYS 27 HD2 LYS 27 2.403 -6.391 14.288 183 HD3 LYS 27 HD3 LYS 27 1.534 -5.068 15.166 184 HE2 LYS 27 HE2 LYS 27 -0.529 -6.168 14.689 185 HE3 LYS 27 HE3 LYS 27 0.257 -7.094 13.314 186 HZ1 LYS 27 HZ1 LYS 27 0.683 -7.489 16.258 187 HZ2 LYS 27 HZ2 LYS 27 0.049 -8.527 15.249 188 HZ3 LYS 27 HZ3 LYS 27 1.608 -8.105 15.103 189 H VAL 28 H VAL 28 5.307 -3.275 11.751 190 HA VAL 28 HA VAL 28 5.328 -4.576 9.167 191 HB VAL 28 HB VAL 28 6.579 -1.837 9.346 192 HG11 VAL 28 HG11 VAL 28 6.871 -1.980 6.930 193 HG12 VAL 28 HG12 VAL 28 7.806 -3.223 7.742 194 HG13 VAL 28 HG13 VAL 28 6.288 -3.645 6.911 195 HG21 VAL 28 HG21 VAL 28 4.725 -1.024 7.814 196 HG22 VAL 28 HG22 VAL 28 4.011 -2.587 7.853 197 HG23 VAL 28 HG23 VAL 28 4.132 -1.613 9.323 198 H PHE 29 H PHE 29 7.241 -5.763 9.114 199 HA PHE 29 HA PHE 29 9.125 -5.200 11.285 200 HB2 PHE 29 HB2 PHE 29 8.012 -7.888 10.550 201 HB3 PHE 29 HB3 PHE 29 9.067 -7.541 11.859 202 HD1 PHE 29 HD1 PHE 29 8.513 -6.407 13.970 203 HD2 PHE 29 HD2 PHE 29 5.618 -7.237 10.788 204 HE1 PHE 29 HE1 PHE 29 6.676 -6.430 15.612 205 HE2 PHE 29 HE2 PHE 29 3.826 -7.110 12.489 206 HZ PHE 29 HZ PHE 29 4.435 -6.709 14.885 207 H ASP 30 H ASP 30 11.181 -6.820 11.129 208 HA ASP 30 HA ASP 30 12.488 -6.018 8.684 209 HB2 ASP 30 HB2 ASP 30 13.491 -6.035 11.048 210 HB3 ASP 30 HB3 ASP 30 13.646 -7.745 10.825 211 H ASN 31 H ASN 31 11.873 -9.180 10.187 212 HA ASN 31 HA ASN 31 12.436 -10.688 7.668 213 HB2 ASN 31 HB2 ASN 31 12.064 -11.507 10.627 214 HB3 ASN 31 HB3 ASN 31 12.596 -12.534 9.285 215 HD21 ASN 31 HD21 ASN 31 13.846 -10.367 11.687 216 HD22 ASN 31 HD22 ASN 31 15.459 -10.741 11.206 217 H ALA 32 H ALA 32 9.881 -9.198 8.724 218 HA ALA 32 HA ALA 32 8.038 -11.249 7.584 219 HB1 ALA 32 HB1 ALA 32 7.362 -9.863 10.148 220 HB2 ALA 32 HB2 ALA 32 6.341 -11.047 9.161 221 HB3 ALA 32 HB3 ALA 32 7.780 -11.561 9.931 222 HA PRO 33 HA PRO 33 7.363 -7.213 5.518 223 HB2 PRO 33 HB3 PRO 33 6.218 -9.048 3.456 224 HB3 PRO 33 HB2 PRO 33 7.411 -7.727 3.355 225 HG2 PRO 33 HG3 PRO 33 8.136 -10.397 3.114 226 HG3 PRO 33 HG2 PRO 33 9.293 -9.245 3.778 227 HD2 PRO 33 HD3 PRO 33 7.479 -10.981 5.285 228 HD3 PRO 33 HD2 PRO 33 9.264 -10.366 5.689 229 H ALA 34 H ALA 34 5.529 -6.267 5.648 230 HA ALA 34 HA ALA 34 2.896 -7.477 6.511 231 HB1 ALA 34 HB1 ALA 34 2.316 -5.220 7.076 232 HB2 ALA 34 HB2 ALA 34 3.727 -5.670 7.938 233 HB3 ALA 34 HB3 ALA 34 3.881 -4.597 6.539 234 H GLU 35 H GLU 35 1.104 -6.982 5.493 235 HA GLU 35 HA GLU 35 1.344 -5.882 2.724 236 HB2 GLU 35 HB2 GLU 35 -0.627 -7.966 3.511 237 HB3 GLU 35 HB3 GLU 35 -0.433 -7.249 1.919 238 HG2 GLU 35 HG2 GLU 35 1.832 -8.156 1.663 239 HG3 GLU 35 HG3 GLU 35 1.703 -8.773 3.307 240 H PHE 36 H PHE 36 -0.623 -4.820 1.845 241 HA PHE 36 HA PHE 36 -2.898 -4.738 3.216 242 HB2 PHE 36 HB2 PHE 36 -3.078 -2.250 3.897 243 HB3 PHE 36 HB3 PHE 36 -1.754 -2.988 4.636 244 HD1 PHE 36 HD1 PHE 36 -2.981 -0.353 2.636 245 HD2 PHE 36 HD2 PHE 36 0.596 -2.670 3.314 246 HE1 PHE 36 HE1 PHE 36 -1.642 1.234 1.212 247 HE2 PHE 36 HE2 PHE 36 1.854 -1.231 1.760 248 HZ PHE 36 HZ PHE 36 0.699 0.738 0.764 249 H THR 37 H THR 37 -4.316 -2.909 1.924 250 HA THR 37 HA THR 37 -3.850 -3.642 -0.910 251 HB THR 37 HB THR 37 -6.449 -4.124 0.685 252 HG1 THR 37 HG1 THR 37 -4.982 -5.655 1.245 253 HG21 THR 37 HG21 THR 37 -6.817 -3.786 -1.690 254 HG22 THR 37 HG22 THR 37 -5.644 -5.061 -2.131 255 HG23 THR 37 HG23 THR 37 -7.238 -5.389 -1.232 256 H ILE 38 H ILE 38 -4.393 -2.342 -2.406 257 HA ILE 38 HA ILE 38 -5.862 -0.025 -1.649 258 HB ILE 38 HB ILE 38 -4.822 -0.547 -4.387 259 HG12 ILE 38 HG12 ILE 38 -3.679 1.203 -2.193 260 HG13 ILE 38 HG13 ILE 38 -3.005 -0.430 -2.430 261 HG21 ILE 38 HG21 ILE 38 -4.992 2.019 -4.427 262 HG22 ILE 38 HG22 ILE 38 -6.563 1.236 -4.337 263 HG23 ILE 38 HG23 ILE 38 -5.836 2.015 -2.982 264 HD11 ILE 38 HD11 ILE 38 -2.365 0.314 -4.803 265 HD12 ILE 38 HD12 ILE 38 -2.712 1.944 -4.029 266 HD13 ILE 38 HD13 ILE 38 -1.462 0.915 -3.283 267 H PHE 39 H PHE 39 -7.929 -0.068 -1.722 268 HA PHE 39 HA PHE 39 -9.558 -1.713 -3.497 269 HB2 PHE 39 HB2 PHE 39 -11.320 -1.002 -2.164 270 HB3 PHE 39 HB3 PHE 39 -10.073 -1.854 -1.271 271 HD1 PHE 39 HD1 PHE 39 -11.861 1.294 -1.553 272 HD2 PHE 39 HD2 PHE 39 -8.595 -0.692 0.383 273 HE1 PHE 39 HE1 PHE 39 -12.107 2.733 0.535 274 HE2 PHE 39 HE2 PHE 39 -8.974 0.561 2.384 275 HZ PHE 39 HZ PHE 39 -10.777 2.357 2.494 276 H ALA 40 H ALA 40 -9.805 -0.778 -5.564 277 HA ALA 40 HA ALA 40 -10.067 2.166 -5.625 278 HB1 ALA 40 HB1 ALA 40 -7.993 0.791 -6.644 279 HB2 ALA 40 HB2 ALA 40 -9.178 0.292 -7.727 280 HB3 ALA 40 HB3 ALA 40 -8.704 2.080 -7.636 281 H VAL 41 H VAL 41 -11.375 3.247 -6.906 282 HA VAL 41 HA VAL 41 -13.417 1.868 -8.570 283 HB VAL 41 HB VAL 41 -13.699 3.840 -6.325 284 HG11 VAL 41 HG11 VAL 41 -16.149 3.943 -6.904 285 HG12 VAL 41 HG12 VAL 41 -15.154 4.911 -8.064 286 HG13 VAL 41 HG13 VAL 41 -15.719 3.247 -8.492 287 HG21 VAL 41 HG21 VAL 41 -13.993 1.552 -5.667 288 HG22 VAL 41 HG22 VAL 41 -15.602 2.236 -5.728 289 HG23 VAL 41 HG23 VAL 41 -15.056 1.129 -7.014 290 H ASP 42 H ASP 42 -14.414 3.353 -10.131 291 HA ASP 42 HA ASP 42 -12.356 5.141 -11.177 292 HB2 ASP 42 HB2 ASP 42 -14.008 5.344 -13.103 293 HB3 ASP 42 HB3 ASP 42 -13.273 3.705 -12.718 294 H THR 43 H THR 43 -15.814 5.291 -10.508 295 HA THR 43 HA THR 43 -16.079 7.802 -9.485 296 HB THR 43 HB THR 43 -17.480 8.652 -11.448 297 HG1 THR 43 HG1 THR 43 -17.194 7.954 -13.338 298 HG21 THR 43 HG21 THR 43 -14.440 8.694 -12.072 299 HG22 THR 43 HG22 THR 43 -15.707 9.665 -12.685 300 HG23 THR 43 HG23 THR 43 -15.267 9.766 -10.951 301 H LYS 44 H LYS 44 -17.617 4.930 -10.905 302 HA LYS 44 HA LYS 44 -20.235 5.844 -9.747 303 HB2 LYS 44 HB2 LYS 44 -19.676 3.648 -11.743 304 HB3 LYS 44 HB3 LYS 44 -21.210 4.295 -11.296 305 HG2 LYS 44 HG2 LYS 44 -20.546 6.530 -12.225 306 HG3 LYS 44 HG3 LYS 44 -19.070 5.722 -12.895 307 HD2 LYS 44 HD2 LYS 44 -20.672 4.064 -13.952 308 HD3 LYS 44 HD3 LYS 44 -21.979 5.130 -13.380 309 HE2 LYS 44 HE2 LYS 44 -19.752 5.912 -15.277 310 HE3 LYS 44 HE3 LYS 44 -21.374 5.513 -15.753 311 HZ1 LYS 44 HZ1 LYS 44 -21.114 7.958 -15.556 312 HZ2 LYS 44 HZ2 LYS 44 -22.246 7.398 -14.509 313 HZ3 LYS 44 HZ3 LYS 44 -20.726 7.778 -14.071 314 H GLY 45 H GLY 45 -18.451 5.019 -7.853 315 HA2 GLY 45 HA2 GLY 45 -18.160 3.663 -5.988 316 HA3 GLY 45 HA3 GLY 45 -19.907 3.363 -6.399 317 H VAL 46 H VAL 46 -19.346 1.730 -8.582 318 HA VAL 46 HA VAL 46 -18.686 -0.876 -7.413 319 HB VAL 46 HB VAL 46 -18.700 -0.483 -10.353 320 HG11 VAL 46 HG11 VAL 46 -19.541 -2.744 -10.320 321 HG12 VAL 46 HG12 VAL 46 -18.044 -2.670 -9.460 322 HG13 VAL 46 HG13 VAL 46 -19.558 -2.853 -8.515 323 HG21 VAL 46 HG21 VAL 46 -21.196 -0.938 -10.262 324 HG22 VAL 46 HG22 VAL 46 -21.166 -0.852 -8.545 325 HG23 VAL 46 HG23 VAL 46 -20.818 0.565 -9.513 326 H ALA 47 H ALA 47 -16.854 -1.659 -7.046 327 HA ALA 47 HA ALA 47 -14.215 -0.854 -7.279 328 HB1 ALA 47 HB1 ALA 47 -13.825 -3.342 -7.282 329 HB2 ALA 47 HB2 ALA 47 -15.092 -2.785 -6.122 330 HB3 ALA 47 HB3 ALA 47 -15.539 -3.486 -7.708 331 H ARG 48 H ARG 48 -12.688 -0.658 -8.705 332 HA ARG 48 HA ARG 48 -13.152 0.016 -11.309 333 HB2 ARG 48 HB2 ARG 48 -10.720 -1.043 -10.053 334 HB3 ARG 48 HB3 ARG 48 -10.642 -0.755 -11.705 335 HG2 ARG 48 HG2 ARG 48 -11.437 1.357 -9.715 336 HG3 ARG 48 HG3 ARG 48 -9.786 1.058 -10.190 337 HD2 ARG 48 HD2 ARG 48 -12.088 1.668 -12.176 338 HD3 ARG 48 HD3 ARG 48 -10.919 2.829 -11.568 339 HE ARG 48 HE ARG 48 -9.122 1.689 -12.565 340 HH11 ARG 48 HH11 ARG 48 -12.294 0.585 -13.926 341 HH12 ARG 48 HH12 ARG 48 -11.473 -0.180 -15.243 342 HH21 ARG 48 HH21 ARG 48 -8.325 0.385 -14.448 343 HH22 ARG 48 HH22 ARG 48 -9.585 -0.394 -15.462 344 H THR 49 H THR 49 -13.827 -0.999 -13.009 345 HA THR 49 HA THR 49 -14.476 -3.732 -13.082 346 HB THR 49 HB THR 49 -15.341 -3.213 -15.482 347 HG1 THR 49 HG1 THR 49 -14.658 -1.351 -16.287 348 HG21 THR 49 HG21 THR 49 -16.159 -1.248 -13.287 349 HG22 THR 49 HG22 THR 49 -17.066 -1.870 -14.735 350 HG23 THR 49 HG23 THR 49 -16.575 -3.019 -13.551 351 H ASP 50 H ASP 50 -11.507 -2.442 -13.946 352 HA ASP 50 HA ASP 50 -10.553 -4.928 -14.942 353 HB2 ASP 50 HB2 ASP 50 -9.526 -4.016 -17.029 354 HB3 ASP 50 HB3 ASP 50 -11.204 -4.438 -17.049 355 H GLY 51 H GLY 51 -8.074 -4.756 -15.208 356 HA2 GLY 51 HA2 GLY 51 -7.162 -3.158 -12.881 357 HA3 GLY 51 HA3 GLY 51 -6.639 -4.731 -13.369 358 H GLY 52 H GLY 52 -4.628 -4.025 -13.072 359 HA2 GLY 52 HA2 GLY 52 -2.520 -3.403 -13.778 360 HA3 GLY 52 HA3 GLY 52 -3.140 -3.456 -15.412 361 H ASP 53 H ASP 53 -4.140 -1.360 -12.694 362 HA ASP 53 HA ASP 53 -3.867 1.074 -14.250 363 HB2 ASP 53 HB2 ASP 53 -4.738 0.849 -11.438 364 HB3 ASP 53 HB3 ASP 53 -4.755 2.295 -12.333 365 HA PRO 54 HA PRO 54 0.272 1.690 -12.786 366 HB2 PRO 54 HB3 PRO 54 0.728 4.184 -13.538 367 HB3 PRO 54 HB2 PRO 54 0.052 2.903 -14.593 368 HG2 PRO 54 HG3 PRO 54 -1.544 5.073 -13.055 369 HG3 PRO 54 HG2 PRO 54 -1.445 4.628 -14.908 370 HD2 PRO 54 HD3 PRO 54 -3.277 3.732 -13.011 371 HD3 PRO 54 HD2 PRO 54 -2.863 2.897 -14.526 372 H PHE 55 H PHE 55 -0.524 1.285 -10.372 373 HA PHE 55 HA PHE 55 -0.051 3.612 -8.651 374 HB2 PHE 55 HB2 PHE 55 -0.384 0.624 -7.928 375 HB3 PHE 55 HB3 PHE 55 -0.400 1.948 -6.820 376 HD1 PHE 55 HD1 PHE 55 -1.930 3.372 -6.153 377 HD2 PHE 55 HD2 PHE 55 -2.643 0.489 -9.226 378 HE1 PHE 55 HE1 PHE 55 -4.470 3.559 -5.887 379 HE2 PHE 55 HE2 PHE 55 -5.059 0.723 -8.983 380 HZ PHE 55 HZ PHE 55 -5.994 2.494 -7.442 381 H GLU 56 H GLU 56 1.198 4.045 -7.075 382 HA GLU 56 HA GLU 56 3.494 2.413 -6.580 383 HB2 GLU 56 HB2 GLU 56 4.329 4.028 -8.403 384 HB3 GLU 56 HB3 GLU 56 3.785 5.387 -7.414 385 HG2 GLU 56 HG2 GLU 56 5.516 4.823 -5.749 386 HG3 GLU 56 HG3 GLU 56 6.059 3.469 -6.774 387 H VAL 57 H VAL 57 4.006 2.338 -4.867 388 HA VAL 57 HA VAL 57 3.064 4.052 -2.661 389 HB VAL 57 HB VAL 57 3.426 1.000 -2.603 390 HG11 VAL 57 HG11 VAL 57 2.008 2.763 -0.618 391 HG12 VAL 57 HG12 VAL 57 2.710 1.124 -0.419 392 HG13 VAL 57 HG13 VAL 57 3.821 2.485 -0.484 393 HG21 VAL 57 HG21 VAL 57 1.149 0.722 -2.409 394 HG22 VAL 57 HG22 VAL 57 0.745 2.397 -2.604 395 HG23 VAL 57 HG23 VAL 57 1.467 1.566 -3.966 396 H ALA 58 H ALA 58 4.780 5.353 -2.353 397 HA ALA 58 HA ALA 58 7.516 4.241 -2.033 398 HB1 ALA 58 HB1 ALA 58 7.296 5.868 -4.109 399 HB2 ALA 58 HB2 ALA 58 6.597 7.014 -2.898 400 HB3 ALA 58 HB3 ALA 58 8.263 6.585 -2.901 401 H ILE 59 H ILE 59 8.527 4.751 -0.467 402 HA ILE 59 HA ILE 59 7.192 6.018 1.871 403 HB ILE 59 HB ILE 59 8.588 3.415 1.700 404 HG12 ILE 59 HG12 ILE 59 5.623 3.868 1.821 405 HG13 ILE 59 HG13 ILE 59 6.530 3.143 0.499 406 HG21 ILE 59 HG21 ILE 59 7.938 3.045 3.985 407 HG22 ILE 59 HG22 ILE 59 8.734 4.402 3.939 408 HG23 ILE 59 HG23 ILE 59 6.873 4.547 4.009 409 HD11 ILE 59 HD11 ILE 59 5.385 1.498 1.530 410 HD12 ILE 59 HD12 ILE 59 7.108 1.271 1.907 411 HD13 ILE 59 HD13 ILE 59 5.908 1.982 3.142 412 H ASN 60 H ASN 60 8.532 6.769 3.507 413 HA ASN 60 HA ASN 60 11.390 7.015 3.046 414 HB2 ASN 60 HB2 ASN 60 9.664 9.372 4.055 415 HB3 ASN 60 HB3 ASN 60 11.403 9.312 3.857 416 HD21 ASN 60 HD21 ASN 60 8.590 9.958 1.853 417 HD22 ASN 60 HD22 ASN 60 9.630 10.235 0.554 418 H GLY 61 H GLY 61 12.591 6.193 4.596 419 HA2 GLY 61 HA2 GLY 61 11.544 5.949 7.415 420 HA3 GLY 61 HA3 GLY 61 12.689 4.877 6.631 421 HA PRO 62 HA PRO 62 14.885 8.322 9.060 422 HB2 PRO 62 HB3 PRO 62 16.610 6.152 10.066 423 HB3 PRO 62 HB2 PRO 62 15.762 7.342 11.012 424 HG2 PRO 62 HG3 PRO 62 15.183 4.641 10.660 425 HG3 PRO 62 HG2 PRO 62 14.150 5.734 11.489 426 HD2 PRO 62 HD3 PRO 62 13.388 4.579 9.033 427 HD3 PRO 62 HD2 PRO 62 12.617 5.988 9.794 428 H ASP 63 H ASP 63 16.229 9.366 7.711 429 HA ASP 63 HA ASP 63 17.978 9.893 6.704 430 HB2 ASP 63 HB2 ASP 63 19.219 7.383 7.880 431 HB3 ASP 63 HB3 ASP 63 20.051 8.654 7.003 432 H GLY 64 H GLY 64 19.438 7.033 5.891 433 HA2 GLY 64 HA2 GLY 64 18.880 7.760 3.189 434 HA3 GLY 64 HA3 GLY 64 20.036 6.516 3.635 435 H LEU 65 H LEU 65 16.845 6.041 4.935 436 HA LEU 65 HA LEU 65 16.226 3.899 2.953 437 HB2 LEU 65 HB2 LEU 65 15.106 5.014 5.493 438 HB3 LEU 65 HB3 LEU 65 14.320 3.598 4.581 439 HG LEU 65 HG LEU 65 17.006 3.588 6.084 440 HD11 LEU 65 HD11 LEU 65 15.985 1.976 7.467 441 HD12 LEU 65 HD12 LEU 65 15.106 3.560 7.594 442 HD13 LEU 65 HD13 LEU 65 14.402 2.147 6.787 443 HD21 LEU 65 HD21 LEU 65 15.568 1.608 4.292 444 HD22 LEU 65 HD22 LEU 65 17.158 2.250 4.127 445 HD23 LEU 65 HD23 LEU 65 16.891 1.167 5.503 446 H VAL 66 H VAL 66 16.043 5.647 1.387 447 HA VAL 66 HA VAL 66 13.206 6.112 0.753 448 HB VAL 66 HB VAL 66 15.563 5.655 -1.042 449 HG11 VAL 66 HG11 VAL 66 13.766 5.413 -2.485 450 HG12 VAL 66 HG12 VAL 66 12.671 6.337 -1.524 451 HG13 VAL 66 HG13 VAL 66 14.002 7.029 -2.645 452 HG21 VAL 66 HG21 VAL 66 15.584 8.115 -1.411 453 HG22 VAL 66 HG22 VAL 66 14.362 8.339 -0.222 454 HG23 VAL 66 HG23 VAL 66 16.064 7.609 0.136 455 H VAL 67 H VAL 67 11.741 4.774 0.215 456 HA VAL 67 HA VAL 67 12.529 2.034 -0.377 457 HB VAL 67 HB VAL 67 10.527 2.798 1.811 458 HG11 VAL 67 HG11 VAL 67 9.599 0.874 0.891 459 HG12 VAL 67 HG12 VAL 67 11.250 -0.007 1.112 460 HG13 VAL 67 HG13 VAL 67 10.302 0.457 2.416 461 HG21 VAL 67 HG21 VAL 67 11.965 1.600 3.396 462 HG22 VAL 67 HG22 VAL 67 13.270 1.456 2.273 463 HG23 VAL 67 HG23 VAL 67 12.691 3.070 2.673 464 H ASP 68 H ASP 68 10.977 0.859 -1.612 465 HA ASP 68 HA ASP 68 8.408 2.172 -2.033 466 HB2 ASP 68 HB2 ASP 68 8.343 1.466 -4.412 467 HB3 ASP 68 HB3 ASP 68 9.177 2.957 -3.940 468 H ALA 69 H ALA 69 6.729 0.963 -2.087 469 HA ALA 69 HA ALA 69 7.049 -1.934 -1.238 470 HB1 ALA 69 HB1 ALA 69 5.076 -1.775 -0.154 471 HB2 ALA 69 HB2 ALA 69 5.697 -0.170 0.156 472 HB3 ALA 69 HB3 ALA 69 4.474 -0.413 -1.127 473 H LYS 70 H LYS 70 5.673 -3.548 -2.091 474 HA LYS 70 HA LYS 70 5.702 -3.340 -5.084 475 HB2 LYS 70 HB2 LYS 70 7.352 -4.883 -3.977 476 HB3 LYS 70 HB3 LYS 70 5.895 -5.910 -3.737 477 HG2 LYS 70 HG2 LYS 70 6.595 -4.639 -6.385 478 HG3 LYS 70 HG3 LYS 70 7.372 -6.100 -5.905 479 HD2 LYS 70 HD2 LYS 70 5.448 -7.477 -5.926 480 HD3 LYS 70 HD3 LYS 70 4.415 -6.084 -6.018 481 HE2 LYS 70 HE2 LYS 70 5.263 -5.409 -8.192 482 HE3 LYS 70 HE3 LYS 70 6.432 -6.608 -8.132 483 HZ1 LYS 70 HZ1 LYS 70 4.367 -8.199 -8.038 484 HZ2 LYS 70 HZ2 LYS 70 3.416 -6.937 -8.014 485 HZ3 LYS 70 HZ3 LYS 70 4.269 -7.301 -9.406 486 H VAL 71 H VAL 71 4.001 -2.718 -5.772 487 HA VAL 71 HA VAL 71 1.373 -3.671 -4.884 488 HB VAL 71 HB VAL 71 2.190 -2.098 -7.306 489 HG11 VAL 71 HG11 VAL 71 0.059 -1.466 -7.667 490 HG12 VAL 71 HG12 VAL 71 0.028 -3.131 -7.718 491 HG13 VAL 71 HG13 VAL 71 -0.584 -2.183 -6.237 492 HG21 VAL 71 HG21 VAL 71 0.977 -1.102 -4.650 493 HG22 VAL 71 HG22 VAL 71 2.711 -1.084 -4.952 494 HG23 VAL 71 HG23 VAL 71 1.661 -0.190 -6.013 495 H THR 72 H THR 72 0.200 -5.292 -5.530 496 HA THR 72 HA THR 72 0.630 -6.364 -8.293 497 HB THR 72 HB THR 72 0.262 -8.159 -5.942 498 HG1 THR 72 HG1 THR 72 2.213 -7.807 -5.570 499 HG21 THR 72 HG21 THR 72 1.128 -9.844 -7.336 500 HG22 THR 72 HG22 THR 72 -0.426 -9.181 -7.955 501 HG23 THR 72 HG23 THR 72 1.172 -8.815 -8.732 502 H ASP 73 H ASP 73 -1.189 -6.707 -9.314 503 HA ASP 73 HA ASP 73 -3.712 -5.667 -8.215 504 HB2 ASP 73 HB2 ASP 73 -2.891 -5.092 -10.558 505 HB3 ASP 73 HB3 ASP 73 -2.843 -6.868 -10.877 506 H ASN 74 H ASN 74 -5.590 -6.752 -7.783 507 HA ASN 74 HA ASN 74 -5.282 -9.690 -7.703 508 HB2 ASN 74 HB2 ASN 74 -7.256 -8.161 -6.147 509 HB3 ASN 74 HB3 ASN 74 -6.627 -9.676 -5.731 510 HD21 ASN 74 HD21 ASN 74 -6.717 -6.919 -4.528 511 HD22 ASN 74 HD22 ASN 74 -5.291 -6.911 -3.444 512 H ASN 75 H ASN 75 -6.676 -7.844 -9.837 513 HA ASN 75 HA ASN 75 -8.049 -8.239 -11.465 514 HB2 ASN 75 HB2 ASN 75 -8.316 -11.133 -10.655 515 HB3 ASN 75 HB3 ASN 75 -8.492 -10.411 -12.191 516 HD21 ASN 75 HD21 ASN 75 -6.374 -8.873 -12.659 517 HD22 ASN 75 HD22 ASN 75 -4.907 -9.916 -12.508 518 H ASP 76 H ASP 76 -9.152 -7.473 -8.849 519 HA ASP 76 HA ASP 76 -11.977 -8.134 -9.394 520 HB2 ASP 76 HB2 ASP 76 -12.271 -8.083 -6.811 521 HB3 ASP 76 HB3 ASP 76 -11.350 -9.481 -7.404 522 H GLY 77 H GLY 77 -9.809 -5.657 -9.081 523 HA2 GLY 77 HA2 GLY 77 -10.518 -3.261 -9.523 524 HA3 GLY 77 HA3 GLY 77 -11.736 -3.516 -8.280 525 H THR 78 H THR 78 -9.179 -5.305 -6.954 526 HA THR 78 HA THR 78 -8.088 -2.971 -5.645 527 HB THR 78 HB THR 78 -8.319 -4.166 -3.518 528 HG1 THR 78 HG1 THR 78 -8.801 -6.471 -5.246 529 HG21 THR 78 HG21 THR 78 -10.661 -5.031 -5.203 530 HG22 THR 78 HG22 THR 78 -10.381 -5.348 -3.452 531 HG23 THR 78 HG23 THR 78 -10.647 -3.704 -4.013 532 H TYR 79 H TYR 79 -5.956 -3.281 -4.536 533 HA TYR 79 HA TYR 79 -4.209 -5.145 -6.044 534 HB2 TYR 79 HB2 TYR 79 -3.785 -2.157 -5.468 535 HB3 TYR 79 HB3 TYR 79 -2.578 -3.150 -6.244 536 HD1 TYR 79 HD1 TYR 79 -2.295 -3.013 -8.459 537 HD2 TYR 79 HD2 TYR 79 -6.198 -2.107 -6.800 538 HE1 TYR 79 HE1 TYR 79 -3.240 -2.524 -10.739 539 HE2 TYR 79 HE2 TYR 79 -7.102 -1.684 -9.028 540 HH TYR 79 HH TYR 79 -6.548 -1.527 -11.251 541 H GLY 80 H GLY 80 -3.010 -6.277 -4.710 542 HA2 GLY 80 HA2 GLY 80 -2.741 -5.829 -1.884 543 HA3 GLY 80 HA3 GLY 80 -2.078 -7.132 -2.806 544 H VAL 81 H VAL 81 -0.833 -5.239 -0.897 545 HA VAL 81 HA VAL 81 1.622 -4.325 -2.374 546 HB VAL 81 HB VAL 81 0.315 -2.532 -0.266 547 HG11 VAL 81 HG11 VAL 81 2.679 -2.432 -0.629 548 HG12 VAL 81 HG12 VAL 81 2.523 -2.256 -2.310 549 HG13 VAL 81 HG13 VAL 81 1.937 -0.893 -1.210 550 HG21 VAL 81 HG21 VAL 81 -0.433 -1.079 -2.177 551 HG22 VAL 81 HG22 VAL 81 -0.199 -2.509 -3.258 552 HG23 VAL 81 HG23 VAL 81 -1.256 -2.541 -1.888 553 H VAL 82 H VAL 82 3.553 -4.942 -1.320 554 HA VAL 82 HA VAL 82 3.279 -5.663 1.529 555 HB VAL 82 HB VAL 82 3.261 -7.552 -0.091 556 HG11 VAL 82 HG11 VAL 82 5.166 -8.249 -1.469 557 HG12 VAL 82 HG12 VAL 82 4.393 -6.779 -2.069 558 HG13 VAL 82 HG13 VAL 82 5.897 -6.665 -1.101 559 HG21 VAL 82 HG21 VAL 82 4.455 -7.853 2.087 560 HG22 VAL 82 HG22 VAL 82 5.109 -8.906 0.875 561 HG23 VAL 82 HG23 VAL 82 5.994 -7.466 1.307 562 H TYR 83 H TYR 83 4.912 -5.206 2.761 563 HA TYR 83 HA TYR 83 7.410 -4.739 1.697 564 HB2 TYR 83 HB2 TYR 83 7.892 -2.401 2.291 565 HB3 TYR 83 HB3 TYR 83 6.488 -2.563 1.201 566 HD1 TYR 83 HD1 TYR 83 4.137 -2.999 2.767 567 HD2 TYR 83 HD2 TYR 83 7.653 -0.920 3.827 568 HE1 TYR 83 HE1 TYR 83 2.816 -1.567 4.337 569 HE2 TYR 83 HE2 TYR 83 6.408 0.646 5.301 570 HH TYR 83 HH TYR 83 2.832 0.277 5.842 571 H ASP 84 H ASP 84 9.005 -3.665 3.520 572 HA ASP 84 HA ASP 84 8.462 -4.701 6.004 573 HB2 ASP 84 HB2 ASP 84 10.722 -6.261 5.732 574 HB3 ASP 84 HB3 ASP 84 9.305 -6.778 4.787 575 H ALA 85 H ALA 85 9.927 -4.237 7.698 576 HA ALA 85 HA ALA 85 11.188 -1.553 7.265 577 HB1 ALA 85 HB1 ALA 85 10.762 -1.035 9.335 578 HB2 ALA 85 HB2 ALA 85 9.218 -1.593 8.626 579 HB3 ALA 85 HB3 ALA 85 10.024 -2.634 9.776 580 HA PRO 86 HA PRO 86 14.675 -3.886 9.128 581 HB2 PRO 86 HB3 PRO 86 16.857 -2.316 8.425 582 HB3 PRO 86 HB2 PRO 86 15.874 -3.178 7.105 583 HG2 PRO 86 HG3 PRO 86 15.486 -0.419 8.012 584 HG3 PRO 86 HG2 PRO 86 15.726 -1.017 6.308 585 HD2 PRO 86 HD3 PRO 86 13.302 -0.634 7.095 586 HD3 PRO 86 HD2 PRO 86 13.657 -2.050 6.173 587 H VAL 87 H VAL 87 13.198 -1.286 10.173 588 HA VAL 87 HA VAL 87 15.251 -0.776 12.368 589 HB VAL 87 HB VAL 87 14.255 1.535 12.390 590 HG11 VAL 87 HG11 VAL 87 15.808 2.213 10.521 591 HG12 VAL 87 HG12 VAL 87 16.482 1.103 11.572 592 HG13 VAL 87 HG13 VAL 87 15.860 0.577 9.986 593 HG21 VAL 87 HG21 VAL 87 13.329 0.939 9.550 594 HG22 VAL 87 HG22 VAL 87 12.181 1.012 10.859 595 HG23 VAL 87 HG23 VAL 87 13.133 2.476 10.495 596 H GLU 88 H GLU 88 14.626 -0.520 14.485 597 HA GLU 88 HA GLU 88 11.887 -0.081 15.292 598 HB2 GLU 88 HB2 GLU 88 13.645 -0.936 16.792 599 HB3 GLU 88 HB3 GLU 88 14.570 0.460 16.629 600 HG2 GLU 88 HG2 GLU 88 11.640 0.429 17.653 601 HG3 GLU 88 HG3 GLU 88 12.956 0.237 18.680 602 H GLY 89 H GLY 89 10.880 1.512 14.272 603 HA2 GLY 89 HA2 GLY 89 11.617 4.307 14.519 604 HA3 GLY 89 HA3 GLY 89 12.139 3.420 13.081 605 H ASN 90 H ASN 90 10.550 5.433 12.166 606 HA ASN 90 HA ASN 90 7.775 4.474 11.963 607 HB2 ASN 90 HB2 ASN 90 7.887 6.654 13.111 608 HB3 ASN 90 HB3 ASN 90 9.087 7.249 11.899 609 HD21 ASN 90 HD21 ASN 90 7.943 8.678 10.410 610 HD22 ASN 90 HD22 ASN 90 6.243 8.453 10.040 611 H TYR 91 H TYR 91 7.044 4.111 9.970 612 HA TYR 91 HA TYR 91 8.656 5.017 7.630 613 HB2 TYR 91 HB2 TYR 91 6.540 2.847 7.721 614 HB3 TYR 91 HB3 TYR 91 6.761 3.634 6.276 615 HD1 TYR 91 HD1 TYR 91 9.797 4.100 6.192 616 HD2 TYR 91 HD2 TYR 91 7.234 0.822 7.140 617 HE1 TYR 91 HE1 TYR 91 11.517 2.399 5.290 618 HE2 TYR 91 HE2 TYR 91 8.894 -0.781 6.457 619 HH TYR 91 HH TYR 91 11.131 -0.973 5.385 620 H ASN 92 H ASN 92 7.913 6.467 6.308 621 HA ASN 92 HA ASN 92 5.143 7.456 6.577 622 HB2 ASN 92 HB2 ASN 92 6.883 9.004 7.193 623 HB3 ASN 92 HB3 ASN 92 7.569 8.961 5.585 624 HD21 ASN 92 HD21 ASN 92 4.700 10.008 7.502 625 HD22 ASN 92 HD22 ASN 92 4.036 11.064 6.321 626 H VAL 93 H VAL 93 3.715 7.153 5.175 627 HA VAL 93 HA VAL 93 4.531 5.745 2.637 628 HB VAL 93 HB VAL 93 2.153 5.416 4.176 629 HG11 VAL 93 HG11 VAL 93 2.146 4.526 1.846 630 HG12 VAL 93 HG12 VAL 93 3.654 3.645 2.247 631 HG13 VAL 93 HG13 VAL 93 2.130 3.134 2.954 632 HG21 VAL 93 HG21 VAL 93 4.754 3.675 4.464 633 HG22 VAL 93 HG22 VAL 93 3.983 4.564 5.761 634 HG23 VAL 93 HG23 VAL 93 3.126 3.300 4.947 635 H ASN 94 H ASN 94 4.115 6.700 0.685 636 HA ASN 94 HA ASN 94 1.928 8.572 0.526 637 HB2 ASN 94 HB2 ASN 94 4.199 9.646 0.352 638 HB3 ASN 94 HB3 ASN 94 4.639 8.445 -0.790 639 HD21 ASN 94 HD21 ASN 94 4.993 9.835 -2.814 640 HD22 ASN 94 HD22 ASN 94 3.631 10.630 -3.435 641 H VAL 95 H VAL 95 0.468 7.470 -0.791 642 HA VAL 95 HA VAL 95 1.234 5.713 -3.147 643 HB VAL 95 HB VAL 95 -1.410 6.225 -1.721 644 HG11 VAL 95 HG11 VAL 95 -2.296 4.322 -3.077 645 HG12 VAL 95 HG12 VAL 95 -1.833 5.724 -3.958 646 HG13 VAL 95 HG13 VAL 95 -0.782 4.339 -4.106 647 HG21 VAL 95 HG21 VAL 95 -0.186 5.025 -0.288 648 HG22 VAL 95 HG22 VAL 95 -0.944 3.654 -1.211 649 HG23 VAL 95 HG23 VAL 95 0.763 4.308 -1.423 650 H THR 96 H THR 96 1.067 6.218 -5.031 651 HA THR 96 HA THR 96 -0.366 8.523 -5.861 652 HB THR 96 HB THR 96 1.674 9.161 -7.451 653 HG1 THR 96 HG1 THR 96 2.544 7.029 -5.859 654 HG21 THR 96 HG21 THR 96 2.962 10.207 -5.731 655 HG22 THR 96 HG22 THR 96 1.274 10.490 -5.273 656 HG23 THR 96 HG23 THR 96 2.204 9.292 -4.423 657 H LEU 97 H LEU 97 -0.591 8.897 -8.222 658 HA LEU 97 HA LEU 97 -1.233 6.304 -9.284 659 HB2 LEU 97 HB2 LEU 97 -2.959 7.657 -8.004 660 HB3 LEU 97 HB3 LEU 97 -2.488 9.110 -9.003 661 HG LEU 97 HG LEU 97 -3.414 8.247 -10.965 662 HD11 LEU 97 HD11 LEU 97 -3.977 5.631 -9.346 663 HD12 LEU 97 HD12 LEU 97 -4.816 6.088 -10.831 664 HD13 LEU 97 HD13 LEU 97 -3.166 5.646 -10.957 665 HD21 LEU 97 HD21 LEU 97 -5.697 8.103 -10.477 666 HD22 LEU 97 HD22 LEU 97 -5.284 7.811 -8.772 667 HD23 LEU 97 HD23 LEU 97 -4.832 9.342 -9.535 668 H ARG 98 H ARG 98 -0.172 5.996 -11.049 669 HA ARG 98 HA ARG 98 1.447 6.369 -12.810 670 HB2 ARG 98 HB2 ARG 98 -0.626 6.905 -13.992 671 HB3 ARG 98 HB3 ARG 98 -0.577 8.502 -13.422 672 HG2 ARG 98 HG2 ARG 98 1.577 8.808 -14.859 673 HG3 ARG 98 HG3 ARG 98 1.447 7.038 -15.221 674 HD2 ARG 98 HD2 ARG 98 0.467 8.199 -17.048 675 HD3 ARG 98 HD3 ARG 98 -0.725 7.248 -16.231 676 HE ARG 98 HE ARG 98 -1.835 9.233 -15.420 677 HH11 ARG 98 HH11 ARG 98 1.183 10.438 -17.120 678 HH12 ARG 98 HH12 ARG 98 0.414 12.039 -16.991 679 HH21 ARG 98 HH21 ARG 98 -2.464 11.125 -15.554 680 HH22 ARG 98 HH22 ARG 98 -1.607 12.376 -16.366 681 H GLY 99 H GLY 99 2.239 7.163 -10.421 682 HA2 GLY 99 HA2 GLY 99 3.573 8.592 -9.116 683 HA3 GLY 99 HA3 GLY 99 3.787 9.209 -10.796 684 H ASN 100 H ASN 100 0.784 10.111 -10.414 685 HA ASN 100 HA ASN 100 1.240 12.706 -9.281 686 HB2 ASN 100 HB2 ASN 100 -1.304 11.349 -10.331 687 HB3 ASN 100 HB3 ASN 100 -1.163 13.047 -10.070 688 HD21 ASN 100 HD21 ASN 100 -0.890 10.569 -12.440 689 HD22 ASN 100 HD22 ASN 100 -0.343 11.619 -13.702 690 HA PRO 101 HA PRO 101 -0.307 11.749 -5.362 691 HB2 PRO 101 HB3 PRO 101 -1.277 14.039 -4.295 692 HB3 PRO 101 HB2 PRO 101 0.451 13.822 -4.783 693 HG2 PRO 101 HG3 PRO 101 -1.823 15.106 -6.503 694 HG3 PRO 101 HG2 PRO 101 -0.265 15.731 -5.889 695 HD2 PRO 101 HD3 PRO 101 -0.441 14.443 -8.417 696 HD3 PRO 101 HD2 PRO 101 1.011 14.210 -7.402 697 H ILE 102 H ILE 102 -2.284 12.000 -3.779 698 HA ILE 102 HA ILE 102 -4.686 12.160 -5.021 699 HB ILE 102 HB ILE 102 -5.466 9.899 -4.443 700 HG12 ILE 102 HG12 ILE 102 -2.823 9.539 -3.188 701 HG13 ILE 102 HG13 ILE 102 -4.300 9.620 -2.330 702 HG21 ILE 102 HG21 ILE 102 -3.972 10.213 -6.549 703 HG22 ILE 102 HG22 ILE 102 -2.650 9.575 -5.664 704 HG23 ILE 102 HG23 ILE 102 -4.216 8.591 -5.908 705 HD11 ILE 102 HD11 ILE 102 -3.286 7.469 -4.091 706 HD12 ILE 102 HD12 ILE 102 -3.786 7.309 -2.454 707 HD13 ILE 102 HD13 ILE 102 -5.113 7.628 -3.712 708 H LYS 103 H LYS 103 -6.060 10.962 -2.488 709 HA LYS 103 HA LYS 103 -5.810 13.496 -0.975 710 HB2 LYS 103 HB2 LYS 103 -8.086 11.500 -1.515 711 HB3 LYS 103 HB3 LYS 103 -8.117 12.494 -0.092 712 HG2 LYS 103 HG2 LYS 103 -7.643 14.493 -1.541 713 HG3 LYS 103 HG3 LYS 103 -7.598 13.535 -2.890 714 HD2 LYS 103 HD2 LYS 103 -10.037 12.776 -2.492 715 HD3 LYS 103 HD3 LYS 103 -9.847 13.740 -0.946 716 HE2 LYS 103 HE2 LYS 103 -9.246 15.620 -2.778 717 HE3 LYS 103 HE3 LYS 103 -10.190 14.611 -3.846 718 HZ1 LYS 103 HZ1 LYS 103 -11.006 15.830 -1.200 719 HZ2 LYS 103 HZ2 LYS 103 -11.622 16.351 -2.629 720 HZ3 LYS 103 HZ3 LYS 103 -11.936 14.861 -2.110 721 H ASN 104 H ASN 104 -5.949 13.266 1.347 722 HA ASN 104 HA ASN 104 -5.344 12.483 3.484 723 HB2 ASN 104 HB2 ASN 104 -6.650 10.171 2.180 724 HB3 ASN 104 HB3 ASN 104 -6.445 10.403 3.943 725 HD21 ASN 104 HD21 ASN 104 -7.617 12.346 4.938 726 HD22 ASN 104 HD22 ASN 104 -9.168 12.746 4.148 727 H MET 105 H MET 105 -3.158 12.373 1.552 728 HA MET 105 HA MET 105 -1.676 9.994 2.561 729 HB2 MET 105 HB2 MET 105 -1.986 11.091 -0.301 730 HB3 MET 105 HB3 MET 105 -0.495 10.392 0.205 731 HG2 MET 105 HG2 MET 105 -3.170 8.950 0.562 732 HG3 MET 105 HG3 MET 105 -2.081 8.708 -0.880 733 HE1 MET 105 HE1 MET 105 -3.444 7.205 2.012 734 HE2 MET 105 HE2 MET 105 -3.155 6.342 0.509 735 HE3 MET 105 HE3 MET 105 -2.396 5.691 1.881 736 HA PRO 106 HA PRO 106 0.878 9.694 2.504 737 HB2 PRO 106 HB3 PRO 106 3.151 10.525 3.983 738 HB3 PRO 106 HB2 PRO 106 3.114 10.800 2.251 739 HG2 PRO 106 HG3 PRO 106 2.576 12.696 4.480 740 HG3 PRO 106 HG2 PRO 106 3.525 12.913 3.023 741 HD2 PRO 106 HD3 PRO 106 0.861 13.762 3.153 742 HD3 PRO 106 HD2 PRO 106 1.635 13.304 1.651 743 H ILE 107 H ILE 107 1.290 8.379 4.302 744 HA ILE 107 HA ILE 107 0.368 9.476 6.835 745 HB ILE 107 HB ILE 107 -1.029 7.285 7.303 746 HG12 ILE 107 HG12 ILE 107 -1.013 7.047 4.343 747 HG13 ILE 107 HG13 ILE 107 0.183 6.267 5.334 748 HG21 ILE 107 HG21 ILE 107 -2.160 9.414 6.853 749 HG22 ILE 107 HG22 ILE 107 -2.074 9.181 5.070 750 HG23 ILE 107 HG23 ILE 107 -2.981 8.052 6.181 751 HD11 ILE 107 HD11 ILE 107 -2.845 5.839 5.662 752 HD12 ILE 107 HD12 ILE 107 -1.744 4.940 4.674 753 HD13 ILE 107 HD13 ILE 107 -1.447 4.990 6.523 754 H ASP 108 H ASP 108 0.746 7.739 8.779 755 HA ASP 108 HA ASP 108 3.516 6.791 8.277 756 HB2 ASP 108 HB2 ASP 108 2.193 8.167 10.690 757 HB3 ASP 108 HB3 ASP 108 3.866 7.656 10.691 758 H VAL 109 H VAL 109 4.357 5.165 9.203 759 HA VAL 109 HA VAL 109 2.528 3.386 10.729 760 HB VAL 109 HB VAL 109 4.348 2.408 8.392 761 HG11 VAL 109 HG11 VAL 109 4.231 0.746 9.951 762 HG12 VAL 109 HG12 VAL 109 2.354 0.713 9.815 763 HG13 VAL 109 HG13 VAL 109 3.325 0.441 8.435 764 HG21 VAL 109 HG21 VAL 109 2.641 3.853 7.632 765 HG22 VAL 109 HG22 VAL 109 2.162 2.127 7.301 766 HG23 VAL 109 HG23 VAL 109 1.377 3.011 8.546 767 H LYS 110 H LYS 110 3.331 2.805 12.584 768 HA LYS 110 HA LYS 110 6.045 3.033 13.324 769 HB2 LYS 110 HB2 LYS 110 3.977 1.403 14.744 770 HB3 LYS 110 HB3 LYS 110 5.575 1.999 15.380 771 HG2 LYS 110 HG2 LYS 110 4.857 4.298 15.091 772 HG3 LYS 110 HG3 LYS 110 3.287 3.816 14.481 773 HD2 LYS 110 HD2 LYS 110 3.039 2.720 16.788 774 HD3 LYS 110 HD3 LYS 110 4.587 3.442 17.190 775 HE2 LYS 110 HE2 LYS 110 2.199 5.265 16.397 776 HE3 LYS 110 HE3 LYS 110 2.640 4.902 18.087 777 HZ1 LYS 110 HZ1 LYS 110 4.346 6.304 16.020 778 HZ2 LYS 110 HZ2 LYS 110 3.514 6.818 17.334 779 HZ3 LYS 110 HZ3 LYS 110 4.819 5.823 17.425 780 H CYS 111 H CYS 111 7.613 1.746 13.262 781 HA CYS 111 HA CYS 111 7.418 -1.031 12.186 782 HB2 CYS 111 HB2 CYS 111 9.599 0.872 11.650 783 HB3 CYS 111 HB3 CYS 111 9.302 -0.696 10.970 784 HG CYS 111 HG CYS 111 7.042 1.816 10.643 785 H ILE 112 H ILE 112 8.585 -2.602 13.183 786 HA ILE 112 HA ILE 112 10.884 -1.864 14.853 787 HB ILE 112 HB ILE 112 8.810 -3.757 15.816 788 HG12 ILE 112 HG12 ILE 112 10.113 -1.316 17.038 789 HG13 ILE 112 HG13 ILE 112 8.575 -1.343 16.156 790 HG21 ILE 112 HG21 ILE 112 10.992 -4.799 16.322 791 HG22 ILE 112 HG22 ILE 112 11.597 -3.276 17.103 792 HG23 ILE 112 HG23 ILE 112 10.217 -4.209 17.714 793 HD11 ILE 112 HD11 ILE 112 7.723 -3.038 17.805 794 HD12 ILE 112 HD12 ILE 112 9.043 -2.422 18.910 795 HD13 ILE 112 HD13 ILE 112 7.828 -1.338 18.241 796 H GLU 113 H GLU 113 12.527 -3.530 14.947 797 HA GLU 113 HA GLU 113 12.739 -4.580 12.245 798 HB2 GLU 113 HB2 GLU 113 15.085 -4.943 12.858 799 HB3 GLU 113 HB3 GLU 113 14.521 -3.300 12.884 800 HG2 GLU 113 HG2 GLU 113 14.192 -3.538 15.356 801 HG3 GLU 113 HG3 GLU 113 15.086 -5.035 15.353 802 H GLY 114 H GLY 114 10.992 -5.996 13.428 803 HA2 GLY 114 HA2 GLY 114 11.690 -8.323 14.866 804 HA3 GLY 114 HA3 GLY 114 10.312 -8.344 13.840
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