NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549020 | 2lm9 | 18107 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 18 1HT ASN 18 11.818 11.936 3.733 2 H2 ASN 18 2HT ASN 18 12.424 10.590 2.936 3 H3 ASN 18 3HT ASN 18 10.758 10.813 3.092 4 HA ASN 18 HA ASN 18 10.763 12.719 1.735 5 HB2 ASN 18 2HB ASN 18 13.027 13.554 2.301 6 HB3 ASN 18 1HB ASN 18 13.735 12.204 1.421 7 HD21 ASN 18 1HD2 ASN 18 14.817 13.499 -0.026 8 HD22 ASN 18 2HD2 ASN 18 14.018 14.364 -1.272 9 H THR 19 H THR 19 13.271 10.361 0.653 10 HA THR 19 HA THR 19 12.112 10.067 -1.861 11 HB THR 19 HB THR 19 13.787 8.094 -1.871 12 HG1 THR 19 1HG THR 19 15.356 8.499 -0.098 13 HG21 THR 19 3HG2 THR 19 14.223 10.348 -2.830 14 HG22 THR 19 1HG2 THR 19 15.667 9.652 -2.093 15 HG23 THR 19 2HG2 THR 19 14.753 10.895 -1.242 16 H ALA 20 H ALA 20 11.986 8.137 1.066 17 HA ALA 20 HA ALA 20 10.708 5.853 0.013 18 HB1 ALA 20 1HB ALA 20 11.909 5.868 2.129 19 HB2 ALA 20 2HB ALA 20 10.252 5.300 2.340 20 HB3 ALA 20 3HB ALA 20 10.691 6.939 2.815 21 H THR 21 H THR 21 9.445 8.780 1.585 22 HA THR 21 HA THR 21 6.816 7.878 1.588 23 HB THR 21 HB THR 21 6.456 10.413 1.840 24 HG1 THR 21 1HG THR 21 8.336 11.402 1.624 25 HG21 THR 21 3HG2 THR 21 7.841 8.708 3.921 26 HG22 THR 21 1HG2 THR 21 6.106 8.772 3.611 27 HG23 THR 21 2HG2 THR 21 6.933 10.180 4.276 28 H GLN 22 H GLN 22 8.658 9.868 -0.719 29 HA GLN 22 HA GLN 22 6.444 10.602 -2.325 30 HB2 GLN 22 2HB GLN 22 9.282 10.066 -3.234 31 HB3 GLN 22 1HB GLN 22 8.052 10.879 -4.182 32 HG2 GLN 22 2HG GLN 22 8.000 12.685 -2.524 33 HG3 GLN 22 1HG GLN 22 9.274 11.865 -1.618 34 HE21 GLN 22 1HE2 GLN 22 10.753 13.475 -1.873 35 HE22 GLN 22 2HE2 GLN 22 11.527 13.829 -3.365 36 H ARG 23 H ARG 23 8.521 7.810 -2.269 37 HA ARG 23 HA ARG 23 7.634 6.507 -4.567 38 HB2 ARG 23 2HB ARG 23 9.695 5.896 -3.400 39 HB3 ARG 23 1HB ARG 23 8.770 5.371 -2.007 40 HG2 ARG 23 2HG ARG 23 9.479 3.440 -3.220 41 HG3 ARG 23 1HG ARG 23 7.736 3.611 -3.414 42 HD2 ARG 23 2HD ARG 23 8.712 3.028 -5.544 43 HD3 ARG 23 1HD ARG 23 8.121 4.687 -5.608 44 HE ARG 23 HE ARG 23 10.895 4.436 -4.895 45 HH11 ARG 23 1HH1 ARG 23 8.620 4.847 -7.582 46 HH12 ARG 23 2HH1 ARG 23 9.812 5.404 -8.667 47 HH21 ARG 23 1HH2 ARG 23 12.502 5.188 -6.406 48 HH22 ARG 23 2HH2 ARG 23 12.027 5.625 -7.993 49 H PHE 24 H PHE 24 6.469 6.309 -1.172 50 HA PHE 24 HA PHE 24 4.448 4.512 -2.235 51 HB2 PHE 24 2HB PHE 24 5.416 4.758 0.609 52 HB3 PHE 24 1HB PHE 24 3.990 3.830 0.154 53 HD1 PHE 24 2HD PHE 24 5.145 2.790 -2.549 54 HD2 PHE 24 1HD PHE 24 6.735 2.885 1.431 55 HE1 PHE 24 2HE PHE 24 6.551 0.885 -3.064 56 HE2 PHE 24 1HE PHE 24 8.138 0.965 0.871 57 HZ PHE 24 HZ PHE 24 8.048 -0.042 -1.362 58 H HIS 25 H HIS 25 4.586 7.537 -2.037 59 HA HIS 25 HA HIS 25 2.137 8.215 -0.808 60 HB2 HIS 25 2HB HIS 25 3.784 9.965 -1.314 61 HB3 HIS 25 1HB HIS 25 3.672 9.611 -3.029 62 HD1 HIS 25 1HD HIS 25 1.335 10.899 -0.244 63 HD2 HIS 25 2HD HIS 25 1.943 11.221 -4.353 64 HE1 HIS 25 1HE HIS 25 -0.307 12.586 -1.041 65 HE2 HIS 25 2HE HIS 25 0.182 12.880 -3.494 66 H GLU 26 H GLU 26 2.946 6.588 -3.661 67 HA GLU 26 HA GLU 26 0.726 7.154 -5.317 68 HB2 GLU 26 2HB GLU 26 2.951 5.903 -5.818 69 HB3 GLU 26 1HB GLU 26 2.111 4.487 -5.206 70 HG2 GLU 26 2HG GLU 26 1.929 4.502 -7.574 71 HG3 GLU 26 1HG GLU 26 0.344 4.877 -6.891 72 H ILE 27 H ILE 27 1.361 4.683 -2.905 73 HA ILE 27 HA ILE 27 -1.210 3.465 -3.189 74 HB ILE 27 HB ILE 27 0.738 3.040 -0.873 75 HG12 ILE 27 2HG1 ILE 27 1.204 0.831 -2.044 76 HG13 ILE 27 1HG1 ILE 27 0.424 1.507 -3.462 77 HG21 ILE 27 1HG2 ILE 27 -1.604 1.398 -1.844 78 HG22 ILE 27 2HG2 ILE 27 -1.544 2.352 -0.361 79 HG23 ILE 27 3HG2 ILE 27 -0.509 0.935 -0.542 80 HD11 ILE 27 3HD1 ILE 27 2.926 2.566 -2.147 81 HD12 ILE 27 1HD1 ILE 27 2.174 3.216 -3.601 82 HD13 ILE 27 2HD1 ILE 27 2.867 1.597 -3.619 83 H GLU 28 H GLU 28 0.274 5.826 -1.179 84 HA GLU 28 HA GLU 28 -1.721 6.157 0.744 85 HB2 GLU 28 2HB GLU 28 0.531 7.121 0.873 86 HB3 GLU 28 1HB GLU 28 0.145 8.174 -0.473 87 HG2 GLU 28 2HG GLU 28 -1.354 9.442 0.836 88 HG3 GLU 28 1HG GLU 28 -1.292 8.264 2.154 89 H LYS 29 H LYS 29 -1.426 7.481 -2.500 90 HA LYS 29 HA LYS 29 -3.763 9.074 -2.495 91 HB2 LYS 29 2HB LYS 29 -2.476 7.589 -4.800 92 HB3 LYS 29 1HB LYS 29 -3.745 8.789 -4.966 93 HG2 LYS 29 2HG LYS 29 -2.272 10.504 -4.091 94 HG3 LYS 29 1HG LYS 29 -1.007 9.305 -3.829 95 HD2 LYS 29 2HD LYS 29 -0.546 10.504 -5.874 96 HD3 LYS 29 1HD LYS 29 -0.983 8.845 -6.253 97 HE2 LYS 29 2HE LYS 29 -2.035 10.393 -7.809 98 HE3 LYS 29 1HE LYS 29 -3.251 9.562 -6.851 99 HZ1 LYS 29 3HZ LYS 29 -2.261 12.331 -6.391 100 HZ2 LYS 29 1HZ LYS 29 -3.452 11.582 -5.468 101 HZ3 LYS 29 2HZ LYS 29 -3.731 11.922 -7.082 102 H PHE 30 H PHE 30 -3.179 5.698 -3.398 103 HA PHE 30 HA PHE 30 -5.831 5.036 -3.962 104 HB2 PHE 30 2HB PHE 30 -3.556 3.381 -2.971 105 HB3 PHE 30 1HB PHE 30 -5.167 2.694 -3.131 106 HD1 PHE 30 1HD PHE 30 -6.208 2.485 -5.344 107 HD2 PHE 30 2HD PHE 30 -2.198 3.829 -4.912 108 HE1 PHE 30 1HE PHE 30 -5.807 2.035 -7.728 109 HE2 PHE 30 2HE PHE 30 -1.789 3.384 -7.293 110 HZ PHE 30 HZ PHE 30 -3.595 2.486 -8.704 111 H LEU 31 H LEU 31 -4.147 5.070 -0.863 112 HA LEU 31 HA LEU 31 -6.162 3.915 0.710 113 HB2 LEU 31 2HB LEU 31 -4.222 6.103 1.457 114 HB3 LEU 31 1HB LEU 31 -5.217 5.246 2.602 115 HG LEU 31 HG LEU 31 -3.072 3.948 0.913 116 HD11 LEU 31 1HD1 LEU 31 -3.063 4.726 3.823 117 HD12 LEU 31 2HD1 LEU 31 -2.189 5.588 2.570 118 HD13 LEU 31 3HD1 LEU 31 -1.758 3.919 2.957 119 HD21 LEU 31 3HD2 LEU 31 -3.371 2.095 2.476 120 HD22 LEU 31 1HD2 LEU 31 -4.860 2.438 1.598 121 HD23 LEU 31 2HD2 LEU 31 -4.678 2.969 3.268 122 H LEU 32 H LEU 32 -5.667 7.327 -0.105 123 HA LEU 32 HA LEU 32 -7.934 8.024 1.379 124 HB2 LEU 32 2HB LEU 32 -7.668 10.328 0.466 125 HB3 LEU 32 1HB LEU 32 -6.197 9.663 1.129 126 HG LEU 32 HG LEU 32 -5.563 9.147 -1.316 127 HD11 LEU 32 1HD1 LEU 32 -7.679 11.229 -1.802 128 HD12 LEU 32 2HD1 LEU 32 -7.706 9.554 -2.354 129 HD13 LEU 32 3HD1 LEU 32 -6.490 10.669 -2.978 130 HD21 LEU 32 3HD2 LEU 32 -4.627 11.394 -1.588 131 HD22 LEU 32 1HD2 LEU 32 -4.436 10.792 0.060 132 HD23 LEU 32 2HD2 LEU 32 -5.686 11.982 -0.306 133 H HIS 33 H HIS 33 -7.390 7.287 -1.940 134 HA HIS 33 HA HIS 33 -9.915 8.004 -2.941 135 HB2 HIS 33 2HB HIS 33 -7.952 7.554 -4.395 136 HB3 HIS 33 1HB HIS 33 -8.020 5.860 -3.943 137 HD1 HIS 33 1HD HIS 33 -9.720 8.419 -6.081 138 HD2 HIS 33 2HD HIS 33 -9.964 4.349 -5.311 139 HE1 HIS 33 1HE HIS 33 -11.217 7.489 -7.861 140 HE2 HIS 33 2HE HIS 33 -11.531 5.078 -7.230 141 H ILE 34 H ILE 34 -8.690 4.895 -1.634 142 HA ILE 34 HA ILE 34 -11.045 3.512 -2.245 143 HB ILE 34 HB ILE 34 -8.683 2.837 -0.481 144 HG12 ILE 34 2HG1 ILE 34 -9.562 1.857 -3.209 145 HG13 ILE 34 1HG1 ILE 34 -8.259 2.986 -2.884 146 HG21 ILE 34 1HG2 ILE 34 -10.975 0.998 -1.206 147 HG22 ILE 34 2HG2 ILE 34 -10.640 1.638 0.401 148 HG23 ILE 34 3HG2 ILE 34 -9.498 0.531 -0.365 149 HD11 ILE 34 3HD1 ILE 34 -8.383 0.092 -2.127 150 HD12 ILE 34 1HD1 ILE 34 -7.070 1.187 -1.676 151 HD13 ILE 34 2HD1 ILE 34 -7.370 0.820 -3.375 152 H THR 35 H THR 35 -9.919 5.111 0.698 153 HA THR 35 HA THR 35 -12.015 4.211 2.359 154 HB THR 35 HB THR 35 -10.744 6.915 2.461 155 HG1 THR 35 1HG THR 35 -9.027 5.394 2.453 156 HG21 THR 35 3HG2 THR 35 -11.852 5.142 4.646 157 HG22 THR 35 1HG2 THR 35 -12.602 6.607 4.011 158 HG23 THR 35 2HG2 THR 35 -11.086 6.708 4.906 159 H HIS 36 H HIS 36 -11.709 7.078 0.263 160 HA HIS 36 HA HIS 36 -14.223 8.246 0.700 161 HB2 HIS 36 2HB HIS 36 -12.456 9.445 -0.490 162 HB3 HIS 36 1HB HIS 36 -12.454 8.242 -1.768 163 HD1 HIS 36 1HD HIS 36 -13.784 11.532 -0.982 164 HD2 HIS 36 2HD HIS 36 -15.027 8.318 -3.323 165 HE1 HIS 36 1HE HIS 36 -15.470 12.446 -2.572 166 HE2 HIS 36 2HE HIS 36 -16.392 10.443 -3.764 167 H GLU 37 H GLU 37 -13.127 5.856 -1.661 168 HA GLU 37 HA GLU 37 -15.547 5.587 -2.998 169 HB2 GLU 37 2HB GLU 37 -13.265 3.663 -2.704 170 HB3 GLU 37 1HB GLU 37 -14.640 3.372 -3.750 171 HG2 GLU 37 2HG GLU 37 -12.672 5.634 -3.956 172 HG3 GLU 37 1HG GLU 37 -12.789 4.235 -5.019 173 H VAL 38 H VAL 38 -14.379 4.085 -0.043 174 HA VAL 38 HA VAL 38 -16.352 2.106 0.121 175 HB VAL 38 HB VAL 38 -14.863 3.563 2.359 176 HG11 VAL 38 1HG1 VAL 38 -16.995 2.555 3.142 177 HG12 VAL 38 2HG1 VAL 38 -15.607 1.680 3.795 178 HG13 VAL 38 3HG1 VAL 38 -16.511 1.014 2.433 179 HG21 VAL 38 3HG2 VAL 38 -14.415 0.800 1.224 180 HG22 VAL 38 1HG2 VAL 38 -13.575 1.505 2.593 181 HG23 VAL 38 2HG2 VAL 38 -13.356 2.199 0.981 182 H ASP 39 H ASP 39 -16.108 5.393 1.331 183 HA ASP 39 HA ASP 39 -18.574 5.401 2.580 184 HB2 ASP 39 2HB ASP 39 -17.125 7.779 1.404 185 HB3 ASP 39 1HB ASP 39 -18.529 7.902 2.450 186 H ASP 40 H ASP 40 -17.566 6.335 -0.639 187 HA ASP 40 HA ASP 40 -19.961 7.375 -1.532 188 HB2 ASP 40 2HB ASP 40 -17.937 7.816 -2.749 189 HB3 ASP 40 1HB ASP 40 -17.696 6.101 -3.041 190 H LEU 41 H LEU 41 -18.666 4.091 -1.710 191 HA LEU 41 HA LEU 41 -20.925 3.311 -3.192 192 HB2 LEU 41 2HB LEU 41 -20.140 0.973 -2.900 193 HB3 LEU 41 1HB LEU 41 -18.951 2.042 -3.597 194 HG LEU 41 HG LEU 41 -18.014 2.173 -1.196 195 HD11 LEU 41 1HD1 LEU 41 -19.568 -0.374 -0.998 196 HD12 LEU 41 2HD1 LEU 41 -19.847 1.105 -0.077 197 HD13 LEU 41 3HD1 LEU 41 -18.349 0.200 0.142 198 HD21 LEU 41 3HD2 LEU 41 -16.841 1.160 -3.043 199 HD22 LEU 41 1HD2 LEU 41 -17.764 -0.328 -2.841 200 HD23 LEU 41 2HD2 LEU 41 -16.644 0.193 -1.583 201 H GLU 42 H GLU 42 -20.182 3.392 0.201 202 HA GLU 42 HA GLU 42 -22.295 1.820 1.011 203 HB2 GLU 42 2HB GLU 42 -20.980 4.085 2.510 204 HB3 GLU 42 1HB GLU 42 -22.158 2.995 3.225 205 HG2 GLU 42 2HG GLU 42 -20.667 1.103 2.707 206 HG3 GLU 42 1HG GLU 42 -19.472 2.249 2.107 207 H LYS 43 H LYS 43 -22.286 5.165 -0.074 208 HA LYS 43 HA LYS 43 -25.083 5.249 0.753 209 HB2 LYS 43 2HB LYS 43 -25.019 7.731 0.453 210 HB3 LYS 43 1HB LYS 43 -23.921 7.145 1.675 211 HG2 LYS 43 2HG LYS 43 -22.820 8.908 0.503 212 HG3 LYS 43 1HG LYS 43 -22.059 7.404 -0.017 213 HD2 LYS 43 2HD LYS 43 -23.367 7.437 -2.069 214 HD3 LYS 43 1HD LYS 43 -24.213 8.877 -1.508 215 HE2 LYS 43 2HE LYS 43 -22.200 10.183 -1.644 216 HE3 LYS 43 1HE LYS 43 -21.236 8.758 -2.005 217 HZ1 LYS 43 3HZ LYS 43 -23.379 9.860 -3.756 218 HZ2 LYS 43 1HZ LYS 43 -22.446 8.491 -4.057 219 HZ3 LYS 43 2HZ LYS 43 -21.711 10.002 -4.012 220 H THR 44 H THR 44 -23.219 4.743 -1.871 221 HA THR 44 HA THR 44 -25.099 5.757 -3.815 222 HB THR 44 HB THR 44 -22.313 4.685 -3.895 223 HG1 THR 44 1HG THR 44 -21.719 6.648 -4.221 224 HG21 THR 44 3HG2 THR 44 -23.338 3.791 -5.835 225 HG22 THR 44 1HG2 THR 44 -22.196 5.077 -6.240 226 HG23 THR 44 2HG2 THR 44 -23.953 5.407 -6.295 227 H GLY 45 H GLY 45 -23.825 2.617 -2.739 228 HA2 GLY 45 2HA GLY 45 -26.172 1.280 -3.720 229 HA3 GLY 45 1HA GLY 45 -24.743 0.930 -4.683 230 H ASN 46 H ASN 46 -22.811 0.247 -3.428 231 HA ASN 46 HA ASN 46 -21.642 -0.970 -1.866 232 HB2 ASN 46 2HB ASN 46 -22.987 0.338 -0.134 233 HB3 ASN 46 1HB ASN 46 -24.171 -0.946 -0.159 234 HD21 ASN 46 1HD2 ASN 46 -23.752 -2.834 0.990 235 HD22 ASN 46 2HD2 ASN 46 -22.395 -2.993 2.040 236 H LYS 47 H LYS 47 -23.649 -1.841 -3.869 237 HA LYS 47 HA LYS 47 -24.860 -4.319 -3.193 238 HB2 LYS 47 2HB LYS 47 -24.077 -3.249 -5.896 239 HB3 LYS 47 1HB LYS 47 -25.237 -4.523 -5.580 240 HG2 LYS 47 2HG LYS 47 -26.765 -3.005 -4.584 241 HG3 LYS 47 1HG LYS 47 -25.566 -1.712 -4.571 242 HD2 LYS 47 2HD LYS 47 -26.512 -2.989 -7.127 243 HD3 LYS 47 1HD LYS 47 -27.394 -1.662 -6.382 244 HE2 LYS 47 2HE LYS 47 -25.952 -0.761 -8.102 245 HE3 LYS 47 1HE LYS 47 -25.333 -0.268 -6.539 246 HZ1 LYS 47 3HZ LYS 47 -23.665 -0.959 -8.183 247 HZ2 LYS 47 1HZ LYS 47 -24.221 -2.523 -8.150 248 HZ3 LYS 47 2HZ LYS 47 -23.489 -1.822 -6.782 249 H ASP 48 H ASP 48 -22.025 -3.490 -5.079 250 HA ASP 48 HA ASP 48 -20.819 -6.132 -4.641 251 HB2 ASP 48 2HB ASP 48 -22.088 -6.467 -6.642 252 HB3 ASP 48 1HB ASP 48 -21.549 -4.943 -7.316 253 H GLU 49 H GLU 49 -20.632 -2.807 -5.293 254 HA GLU 49 HA GLU 49 -17.961 -2.423 -6.179 255 HB2 GLU 49 2HB GLU 49 -19.410 -0.537 -4.335 256 HB3 GLU 49 1HB GLU 49 -18.235 -0.154 -5.575 257 HG2 GLU 49 2HG GLU 49 -20.202 0.625 -6.492 258 HG3 GLU 49 1HG GLU 49 -20.090 -0.982 -7.205 259 H LYS 50 H LYS 50 -19.303 -2.934 -3.065 260 HA LYS 50 HA LYS 50 -17.177 -2.109 -1.433 261 HB2 LYS 50 2HB LYS 50 -19.543 -2.835 -0.868 262 HB3 LYS 50 1HB LYS 50 -18.989 -4.468 -1.096 263 HG2 LYS 50 2HG LYS 50 -19.012 -4.204 1.181 264 HG3 LYS 50 1HG LYS 50 -17.304 -3.924 0.796 265 HD2 LYS 50 2HD LYS 50 -17.497 -1.668 1.104 266 HD3 LYS 50 1HD LYS 50 -19.236 -1.682 0.826 267 HE2 LYS 50 2HE LYS 50 -19.430 -3.030 2.972 268 HE3 LYS 50 1HE LYS 50 -17.755 -2.586 3.286 269 HZ1 LYS 50 3HZ LYS 50 -18.374 -0.265 3.245 270 HZ2 LYS 50 1HZ LYS 50 -19.372 -1.075 4.327 271 HZ3 LYS 50 2HZ LYS 50 -19.972 -0.689 2.825 272 H ALA 51 H ALA 51 -17.974 -5.243 -2.617 273 HA ALA 51 HA ALA 51 -15.639 -6.575 -1.737 274 HB1 ALA 51 1HB ALA 51 -17.484 -7.392 -3.987 275 HB2 ALA 51 2HB ALA 51 -17.709 -7.781 -2.284 276 HB3 ALA 51 3HB ALA 51 -16.328 -8.437 -3.161 277 H ARG 52 H ARG 52 -16.515 -5.186 -4.838 278 HA ARG 52 HA ARG 52 -14.179 -5.895 -6.210 279 HB2 ARG 52 2HB ARG 52 -16.177 -5.132 -7.435 280 HB3 ARG 52 1HB ARG 52 -16.043 -3.543 -6.712 281 HG2 ARG 52 2HG ARG 52 -13.813 -4.617 -8.414 282 HG3 ARG 52 1HG ARG 52 -15.242 -3.909 -9.166 283 HD2 ARG 52 2HD ARG 52 -14.792 -1.789 -8.253 284 HD3 ARG 52 1HD ARG 52 -13.681 -2.445 -7.050 285 HE ARG 52 HE ARG 52 -12.841 -2.821 -9.769 286 HH11 ARG 52 1HH1 ARG 52 -12.920 -0.467 -7.126 287 HH12 ARG 52 2HH1 ARG 52 -11.384 0.194 -7.454 288 HH21 ARG 52 1HH2 ARG 52 -10.705 -1.856 -10.270 289 HH22 ARG 52 2HH2 ARG 52 -10.126 -0.580 -9.283 290 H LEU 53 H LEU 53 -14.934 -2.933 -4.250 291 HA LEU 53 HA LEU 53 -12.598 -1.642 -4.919 292 HB2 LEU 53 2HB LEU 53 -14.516 -0.554 -4.017 293 HB3 LEU 53 1HB LEU 53 -14.425 -1.519 -2.556 294 HG LEU 53 HG LEU 53 -12.297 -0.657 -2.163 295 HD11 LEU 53 1HD1 LEU 53 -11.683 1.597 -3.244 296 HD12 LEU 53 2HD1 LEU 53 -13.003 1.319 -4.377 297 HD13 LEU 53 3HD1 LEU 53 -11.622 0.221 -4.344 298 HD21 LEU 53 3HD2 LEU 53 -14.567 1.303 -2.209 299 HD22 LEU 53 1HD2 LEU 53 -13.099 1.546 -1.265 300 HD23 LEU 53 2HD2 LEU 53 -14.149 0.166 -0.931 301 H LEU 54 H LEU 54 -13.368 -3.955 -2.366 302 HA LEU 54 HA LEU 54 -10.925 -3.682 -1.003 303 HB2 LEU 54 2HB LEU 54 -12.788 -6.044 -1.097 304 HB3 LEU 54 1HB LEU 54 -11.451 -5.873 0.027 305 HG LEU 54 HG LEU 54 -13.910 -4.148 -0.122 306 HD11 LEU 54 1HD1 LEU 54 -14.291 -6.287 0.933 307 HD12 LEU 54 2HD1 LEU 54 -14.330 -4.989 2.127 308 HD13 LEU 54 3HD1 LEU 54 -12.910 -6.027 1.999 309 HD21 LEU 54 3HD2 LEU 54 -11.508 -3.874 1.689 310 HD22 LEU 54 1HD2 LEU 54 -12.998 -2.945 1.790 311 HD23 LEU 54 2HD2 LEU 54 -11.965 -2.761 0.394 312 H ARG 55 H ARG 55 -11.841 -5.472 -3.748 313 HA ARG 55 HA ARG 55 -9.429 -7.018 -3.811 314 HB2 ARG 55 2HB ARG 55 -11.442 -6.495 -6.001 315 HB3 ARG 55 1HB ARG 55 -10.046 -7.549 -6.192 316 HG2 ARG 55 2HG ARG 55 -12.271 -7.922 -4.197 317 HG3 ARG 55 1HG ARG 55 -12.064 -8.813 -5.704 318 HD2 ARG 55 2HD ARG 55 -10.003 -9.783 -4.920 319 HD3 ARG 55 1HD ARG 55 -10.021 -8.787 -3.468 320 HE ARG 55 HE ARG 55 -12.370 -10.232 -3.540 321 HH11 ARG 55 1HH1 ARG 55 -8.903 -10.903 -3.263 322 HH12 ARG 55 2HH1 ARG 55 -9.093 -12.237 -2.230 323 HH21 ARG 55 1HH2 ARG 55 -12.640 -12.090 -2.120 324 HH22 ARG 55 2HH2 ARG 55 -11.278 -12.919 -1.547 325 H GLU 56 H GLU 56 -10.353 -3.902 -4.956 326 HA GLU 56 HA GLU 56 -8.049 -3.520 -6.518 327 HB2 GLU 56 2HB GLU 56 -9.953 -2.109 -6.900 328 HB3 GLU 56 1HB GLU 56 -9.933 -1.544 -5.238 329 HG2 GLU 56 2HG GLU 56 -8.028 -0.275 -5.567 330 HG3 GLU 56 1HG GLU 56 -7.639 -1.087 -7.089 331 H LEU 57 H LEU 57 -8.710 -3.012 -3.070 332 HA LEU 57 HA LEU 57 -6.144 -1.856 -2.693 333 HB2 LEU 57 2HB LEU 57 -6.427 -2.047 -0.274 334 HB3 LEU 57 1HB LEU 57 -7.861 -1.374 -0.985 335 HG LEU 57 HG LEU 57 -8.844 -3.745 -0.715 336 HD11 LEU 57 1HD1 LEU 57 -7.883 -5.070 1.093 337 HD12 LEU 57 2HD1 LEU 57 -6.527 -3.947 1.207 338 HD13 LEU 57 3HD1 LEU 57 -6.747 -4.914 -0.249 339 HD21 LEU 57 3HD2 LEU 57 -8.168 -2.032 1.663 340 HD22 LEU 57 1HD2 LEU 57 -9.444 -3.245 1.600 341 HD23 LEU 57 2HD2 LEU 57 -9.535 -1.818 0.568 342 H THR 58 H THR 58 -7.356 -5.028 -2.810 343 HA THR 58 HA THR 58 -5.149 -6.385 -1.822 344 HB THR 58 HB THR 58 -7.041 -7.265 -4.031 345 HG1 THR 58 1HG THR 58 -7.956 -6.646 -1.847 346 HG21 THR 58 3HG2 THR 58 -5.037 -8.683 -3.869 347 HG22 THR 58 1HG2 THR 58 -6.477 -9.547 -3.323 348 HG23 THR 58 2HG2 THR 58 -5.337 -8.899 -2.146 349 H VAL 59 H VAL 59 -5.948 -5.182 -5.045 350 HA VAL 59 HA VAL 59 -3.573 -6.020 -6.353 351 HB VAL 59 HB VAL 59 -5.336 -3.628 -7.028 352 HG11 VAL 59 1HG1 VAL 59 -3.158 -3.512 -8.130 353 HG12 VAL 59 2HG1 VAL 59 -4.439 -3.833 -9.298 354 HG13 VAL 59 3HG1 VAL 59 -3.384 -5.141 -8.762 355 HG21 VAL 59 3HG2 VAL 59 -5.449 -6.456 -8.076 356 HG22 VAL 59 1HG2 VAL 59 -6.423 -5.106 -8.653 357 HG23 VAL 59 2HG2 VAL 59 -6.626 -5.699 -7.004 358 H SER 60 H SER 60 -4.485 -3.139 -4.585 359 HA SER 60 HA SER 60 -2.216 -1.615 -5.083 360 HB2 SER 60 2HB SER 60 -3.960 -1.552 -2.609 361 HB3 SER 60 1HB SER 60 -2.868 -0.274 -3.139 362 HG SER 60 HG SER 60 -5.097 -1.223 -4.669 363 H GLU 61 H GLU 61 -2.854 -3.761 -2.386 364 HA GLU 61 HA GLU 61 -0.291 -3.424 -1.264 365 HB2 GLU 61 2HB GLU 61 -0.621 -5.497 0.052 366 HB3 GLU 61 1HB GLU 61 -1.976 -4.398 0.185 367 HG2 GLU 61 2HG GLU 61 -3.323 -5.767 -1.168 368 HG3 GLU 61 1HG GLU 61 -1.949 -6.745 -1.678 369 H ALA 62 H ALA 62 -1.422 -5.403 -3.835 370 HA ALA 62 HA ALA 62 0.761 -7.191 -3.863 371 HB1 ALA 62 1HB ALA 62 -1.370 -7.680 -5.009 372 HB2 ALA 62 2HB ALA 62 0.029 -7.891 -6.065 373 HB3 ALA 62 3HB ALA 62 -0.979 -6.450 -6.209 374 H PHE 63 H PHE 63 0.344 -4.085 -5.565 375 HA PHE 63 HA PHE 63 2.876 -4.627 -6.790 376 HB2 PHE 63 2HB PHE 63 2.744 -2.239 -7.735 377 HB3 PHE 63 1HB PHE 63 1.577 -3.408 -8.323 378 HD1 PHE 63 2HD PHE 63 1.996 -0.656 -5.869 379 HD2 PHE 63 1HD PHE 63 -0.644 -2.952 -8.269 380 HE1 PHE 63 2HE PHE 63 0.143 0.830 -5.261 381 HE2 PHE 63 1HE PHE 63 -2.492 -1.472 -7.660 382 HZ PHE 63 HZ PHE 63 -2.113 0.369 -6.128 383 H ILE 64 H ILE 64 1.784 -2.759 -4.074 384 HA ILE 64 HA ILE 64 4.340 -1.637 -3.749 385 HB ILE 64 HB ILE 64 2.522 -0.525 -2.596 386 HG12 ILE 64 2HG1 ILE 64 4.480 -1.746 -0.703 387 HG13 ILE 64 1HG1 ILE 64 4.771 -0.350 -1.734 388 HG21 ILE 64 1HG2 ILE 64 1.437 -1.493 -0.614 389 HG22 ILE 64 2HG2 ILE 64 2.311 -3.007 -0.892 390 HG23 ILE 64 3HG2 ILE 64 1.137 -2.429 -2.080 391 HD11 ILE 64 3HD1 ILE 64 3.022 0.874 -0.455 392 HD12 ILE 64 1HD1 ILE 64 4.391 0.369 0.535 393 HD13 ILE 64 2HD1 ILE 64 2.888 -0.536 0.608 394 H GLU 65 H GLU 65 2.978 -4.697 -2.660 395 HA GLU 65 HA GLU 65 5.084 -5.347 -0.930 396 HB2 GLU 65 2HB GLU 65 2.859 -6.491 -1.033 397 HB3 GLU 65 1HB GLU 65 3.348 -7.224 -2.552 398 HG2 GLU 65 2HG GLU 65 5.080 -8.440 -1.464 399 HG3 GLU 65 1HG GLU 65 4.771 -7.600 0.058 400 H GLY 66 H GLY 66 4.596 -5.761 -4.385 401 HA2 GLY 66 2HA GLY 66 6.942 -7.212 -4.966 402 HA3 GLY 66 1HA GLY 66 6.078 -6.172 -6.094 403 H SER 67 H SER 67 6.347 -3.678 -4.790 404 HA SER 67 HA SER 67 8.980 -3.073 -5.552 405 HB2 SER 67 2HB SER 67 8.395 -0.731 -4.661 406 HB3 SER 67 1HB SER 67 7.430 -1.339 -5.998 407 HG SER 67 HG SER 67 6.508 -1.826 -3.390 408 H ARG 68 H ARG 68 7.457 -3.755 -2.519 409 HA ARG 68 HA ARG 68 9.628 -2.896 -0.984 410 HB2 ARG 68 2HB ARG 68 7.505 -4.950 -0.344 411 HB3 ARG 68 1HB ARG 68 8.744 -4.497 0.810 412 HG2 ARG 68 2HG ARG 68 7.895 -2.224 0.862 413 HG3 ARG 68 1HG ARG 68 6.696 -2.630 -0.369 414 HD2 ARG 68 2HD ARG 68 5.703 -2.668 1.876 415 HD3 ARG 68 1HD ARG 68 5.680 -4.261 1.133 416 HE ARG 68 HE ARG 68 7.896 -3.646 2.934 417 HH11 ARG 68 1HH1 ARG 68 4.840 -5.415 2.447 418 HH12 ARG 68 2HH1 ARG 68 5.019 -6.369 3.828 419 HH21 ARG 68 1HH2 ARG 68 8.132 -5.010 4.873 420 HH22 ARG 68 2HH2 ARG 68 6.923 -6.112 5.244 421 H GLY 69 H GLY 69 8.807 -5.927 -2.454 422 HA2 GLY 69 2HA GLY 69 11.019 -7.391 -1.594 423 HA3 GLY 69 1HA GLY 69 10.112 -7.662 -3.081 424 H TYR 70 H TYR 70 10.676 -4.859 -3.934 425 HA TYR 70 HA TYR 70 13.068 -5.504 -5.384 426 HB2 TYR 70 2HB TYR 70 11.346 -4.206 -6.544 427 HB3 TYR 70 1HB TYR 70 11.471 -2.921 -5.344 428 HD1 TYR 70 2HD TYR 70 13.501 -4.741 -7.898 429 HD2 TYR 70 1HD TYR 70 12.952 -1.116 -5.715 430 HE1 TYR 70 2HE TYR 70 15.290 -3.672 -9.205 431 HE2 TYR 70 1HE TYR 70 14.717 -0.067 -7.018 432 HH TYR 70 HH TYR 70 16.697 -0.755 -8.229 433 H PHE 71 H PHE 71 12.203 -3.332 -2.807 434 HA PHE 71 HA PHE 71 14.722 -2.139 -2.641 435 HB2 PHE 71 2HB PHE 71 12.535 -2.310 -0.556 436 HB3 PHE 71 1HB PHE 71 14.008 -1.363 -0.351 437 HD1 PHE 71 2HD PHE 71 14.508 0.028 -2.692 438 HD2 PHE 71 1HD PHE 71 10.708 -0.989 -1.076 439 HE1 PHE 71 2HE PHE 71 13.503 1.891 -3.917 440 HE2 PHE 71 1HE PHE 71 9.692 0.884 -2.316 441 HZ PHE 71 HZ PHE 71 11.097 2.322 -3.737 442 H GLN 72 H GLN 72 13.294 -4.901 -1.061 443 HA GLN 72 HA GLN 72 15.386 -5.609 0.618 444 HB2 GLN 72 2HB GLN 72 13.200 -6.657 0.728 445 HB3 GLN 72 1HB GLN 72 13.398 -7.308 -0.889 446 HG2 GLN 72 2HG GLN 72 13.711 -9.032 0.717 447 HG3 GLN 72 1HG GLN 72 15.233 -8.677 -0.105 448 HE21 GLN 72 1HE2 GLN 72 16.927 -7.722 1.081 449 HE22 GLN 72 2HE2 GLN 72 16.914 -7.702 2.810 450 H ARG 73 H ARG 73 14.936 -6.168 -2.853 451 HA ARG 73 HA ARG 73 17.279 -7.764 -3.121 452 HB2 ARG 73 2HB ARG 73 15.436 -6.476 -5.075 453 HB3 ARG 73 1HB ARG 73 17.037 -6.917 -5.641 454 HG2 ARG 73 2HG ARG 73 15.350 -8.619 -6.098 455 HG3 ARG 73 1HG ARG 73 16.651 -9.232 -5.057 456 HD2 ARG 73 2HD ARG 73 15.156 -8.799 -3.118 457 HD3 ARG 73 1HD ARG 73 13.892 -8.352 -4.253 458 HE ARG 73 HE ARG 73 15.101 -10.997 -4.402 459 HH11 ARG 73 1HH1 ARG 73 12.293 -8.974 -3.829 460 HH12 ARG 73 2HH1 ARG 73 11.183 -10.246 -3.587 461 HH21 ARG 73 1HH2 ARG 73 13.614 -12.804 -4.074 462 HH22 ARG 73 2HH2 ARG 73 11.980 -12.509 -3.728 463 H GLU 74 H GLU 74 16.652 -4.344 -3.602 464 HA GLU 74 HA GLU 74 19.267 -3.809 -4.397 465 HB2 GLU 74 2HB GLU 74 17.340 -1.856 -3.160 466 HB3 GLU 74 1HB GLU 74 18.877 -1.408 -3.881 467 HG2 GLU 74 2HG GLU 74 17.985 -2.637 -5.966 468 HG3 GLU 74 1HG GLU 74 16.415 -2.436 -5.193 469 H LEU 75 H LEU 75 17.925 -4.132 -1.298 470 HA LEU 75 HA LEU 75 19.946 -3.157 0.355 471 HB2 LEU 75 2HB LEU 75 17.609 -3.957 0.910 472 HB3 LEU 75 1HB LEU 75 18.189 -5.590 0.764 473 HG LEU 75 HG LEU 75 19.207 -3.649 2.855 474 HD11 LEU 75 1HD1 LEU 75 17.001 -5.699 3.010 475 HD12 LEU 75 2HD1 LEU 75 16.809 -3.948 3.127 476 HD13 LEU 75 3HD1 LEU 75 17.671 -4.832 4.385 477 HD21 LEU 75 3HD2 LEU 75 19.283 -6.670 2.696 478 HD22 LEU 75 1HD2 LEU 75 19.903 -5.681 4.021 479 HD23 LEU 75 2HD2 LEU 75 20.655 -5.591 2.429 480 H LYS 76 H LYS 76 19.825 -5.972 -1.687 481 HA LYS 76 HA LYS 76 22.201 -7.226 -0.512 482 HB2 LYS 76 2HB LYS 76 20.278 -8.184 -2.633 483 HB3 LYS 76 1HB LYS 76 21.613 -9.111 -1.985 484 HG2 LYS 76 2HG LYS 76 20.534 -9.258 0.164 485 HG3 LYS 76 1HG LYS 76 19.265 -8.147 -0.361 486 HD2 LYS 76 2HD LYS 76 18.535 -9.736 -2.059 487 HD3 LYS 76 1HD LYS 76 19.833 -10.836 -1.613 488 HE2 LYS 76 2HE LYS 76 17.641 -9.958 0.255 489 HE3 LYS 76 1HE LYS 76 17.585 -11.438 -0.697 490 HZ1 LYS 76 3HZ LYS 76 19.575 -12.199 0.448 491 HZ2 LYS 76 1HZ LYS 76 18.339 -11.867 1.528 492 HZ3 LYS 76 2HZ LYS 76 19.627 -10.792 1.380 493 H ARG 77 H ARG 77 21.419 -5.014 -2.831 494 HA ARG 77 HA ARG 77 22.606 -5.956 -5.226 495 HB2 ARG 77 2HB ARG 77 20.882 -4.209 -5.065 496 HB3 ARG 77 1HB ARG 77 22.112 -3.106 -4.411 497 HG2 ARG 77 2HG ARG 77 23.277 -3.152 -6.500 498 HG3 ARG 77 1HG ARG 77 22.190 -4.384 -7.130 499 HD2 ARG 77 2HD ARG 77 20.302 -2.781 -6.907 500 HD3 ARG 77 1HD ARG 77 21.448 -1.551 -6.369 501 HE ARG 77 HE ARG 77 22.373 -2.574 -8.764 502 HH11 ARG 77 1HH1 ARG 77 19.468 -0.674 -7.751 503 HH12 ARG 77 2HH1 ARG 77 19.395 0.116 -9.234 504 HH21 ARG 77 1HH2 ARG 77 22.160 -1.448 -10.745 505 HH22 ARG 77 2HH2 ARG 77 20.919 -0.312 -10.973 506 H THR 78 H THR 78 23.981 -4.509 -2.445 507 HA THR 78 HA THR 78 26.035 -3.856 -1.851 508 HB THR 78 HB THR 78 26.999 -4.920 -4.540 509 HG1 THR 78 1HG THR 78 26.047 -6.095 -2.272 510 HG21 THR 78 3HG2 THR 78 28.659 -3.545 -3.358 511 HG22 THR 78 1HG2 THR 78 29.134 -5.242 -3.352 512 HG23 THR 78 2HG2 THR 78 28.434 -4.521 -1.901 513 H ASP 79 H ASP 79 25.001 -2.888 -5.032 514 HA ASP 79 HA ASP 79 26.364 -0.362 -4.854 515 HB2 ASP 79 2HB ASP 79 26.009 -1.343 -7.086 516 HB3 ASP 79 1HB ASP 79 24.268 -1.299 -6.841 517 H LEU 80 H LEU 80 25.447 -0.210 -2.767 518 HA LEU 80 HA LEU 80 23.434 1.911 -2.524 519 HB2 LEU 80 2HB LEU 80 22.009 0.791 -1.057 520 HB3 LEU 80 1HB LEU 80 22.281 -0.485 -2.212 521 HG LEU 80 HG LEU 80 23.872 -0.276 0.356 522 HD11 LEU 80 1HD1 LEU 80 21.473 -0.439 0.858 523 HD12 LEU 80 2HD1 LEU 80 22.373 -1.874 1.330 524 HD13 LEU 80 3HD1 LEU 80 21.401 -1.894 -0.146 525 HD21 LEU 80 3HD2 LEU 80 23.296 -2.592 -1.480 526 HD22 LEU 80 1HD2 LEU 80 24.261 -2.649 -0.006 527 HD23 LEU 80 2HD2 LEU 80 24.818 -1.705 -1.389 528 H ASP 81 H ASP 81 23.692 2.958 -0.899 529 HA ASP 81 HA ASP 81 26.153 2.537 0.603 530 HB2 ASP 81 2HB ASP 81 26.071 4.599 -0.749 531 HB3 ASP 81 1HB ASP 81 24.520 5.009 -0.037 532 H LEU 82 H LEU 82 25.760 3.461 2.922 533 HA LEU 82 HA LEU 82 23.617 2.194 4.088 534 HB2 LEU 82 2HB LEU 82 24.102 3.553 6.148 535 HB3 LEU 82 1HB LEU 82 25.489 2.732 5.485 536 HG LEU 82 HG LEU 82 26.066 5.021 4.415 537 HD11 LEU 82 1HD1 LEU 82 25.290 6.979 5.647 538 HD12 LEU 82 2HD1 LEU 82 24.173 5.965 6.557 539 HD13 LEU 82 3HD1 LEU 82 23.969 6.157 4.815 540 HD21 LEU 82 3HD2 LEU 82 27.222 5.733 6.454 541 HD22 LEU 82 1HD2 LEU 82 27.363 3.997 6.184 542 HD23 LEU 82 2HD2 LEU 82 26.237 4.612 7.393 543 H LEU 83 H LEU 83 23.861 5.302 2.662 544 HA LEU 83 HA LEU 83 21.541 6.668 3.412 545 HB2 LEU 83 2HB LEU 83 23.521 7.265 1.840 546 HB3 LEU 83 1HB LEU 83 22.647 6.350 0.649 547 HG LEU 83 HG LEU 83 22.432 8.864 0.441 548 HD11 LEU 83 1HD1 LEU 83 19.840 7.390 0.802 549 HD12 LEU 83 2HD1 LEU 83 20.806 7.480 -0.670 550 HD13 LEU 83 3HD1 LEU 83 20.036 8.932 -0.028 551 HD21 LEU 83 3HD2 LEU 83 22.314 9.430 2.797 552 HD22 LEU 83 1HD2 LEU 83 20.759 8.610 2.936 553 HD23 LEU 83 2HD2 LEU 83 20.909 10.053 1.934 554 H GLU 84 H GLU 84 22.087 4.368 0.842 555 HA GLU 84 HA GLU 84 19.402 4.473 -0.032 556 HB2 GLU 84 2HB GLU 84 21.700 2.700 -0.793 557 HB3 GLU 84 1HB GLU 84 20.139 2.705 -1.637 558 HG2 GLU 84 2HG GLU 84 20.422 5.013 -2.227 559 HG3 GLU 84 1HG GLU 84 21.879 5.125 -1.255 560 H LYS 85 H LYS 85 21.294 2.319 1.889 561 HA LYS 85 HA LYS 85 19.402 0.319 2.346 562 HB2 LYS 85 2HB LYS 85 21.704 0.028 3.063 563 HB3 LYS 85 1HB LYS 85 21.583 1.416 4.131 564 HG2 LYS 85 2HG LYS 85 20.003 0.224 5.547 565 HG3 LYS 85 1HG LYS 85 20.053 -1.153 4.447 566 HD2 LYS 85 2HD LYS 85 22.497 -0.087 5.858 567 HD3 LYS 85 1HD LYS 85 21.469 -1.341 6.545 568 HE2 LYS 85 2HE LYS 85 22.844 -1.540 3.859 569 HE3 LYS 85 1HE LYS 85 23.473 -2.221 5.354 570 HZ1 LYS 85 3HZ LYS 85 21.644 -3.670 5.520 571 HZ2 LYS 85 1HZ LYS 85 22.249 -3.836 3.972 572 HZ3 LYS 85 2HZ LYS 85 20.802 -2.976 4.265 573 H PHE 86 H PHE 86 19.947 3.465 3.858 574 HA PHE 86 HA PHE 86 18.052 3.151 5.792 575 HB2 PHE 86 2HB PHE 86 19.749 4.895 5.967 576 HB3 PHE 86 1HB PHE 86 19.098 5.709 4.554 577 HD1 PHE 86 1HD PHE 86 18.370 4.806 8.071 578 HD2 PHE 86 2HD PHE 86 17.366 7.303 4.769 579 HE1 PHE 86 1HE PHE 86 16.946 6.175 9.541 580 HE2 PHE 86 2HE PHE 86 15.943 8.673 6.237 581 HZ PHE 86 HZ PHE 86 15.734 8.108 8.622 582 H ASN 87 H ASN 87 17.843 4.037 2.514 583 HA ASN 87 HA ASN 87 15.214 5.188 2.479 584 HB2 ASN 87 2HB ASN 87 17.021 4.177 0.287 585 HB3 ASN 87 1HB ASN 87 15.363 4.639 -0.038 586 HD21 ASN 87 1HD2 ASN 87 17.434 6.345 2.260 587 HD22 ASN 87 2HD2 ASN 87 17.554 7.767 1.288 588 H PHE 88 H PHE 88 16.624 2.029 1.966 589 HA PHE 88 HA PHE 88 14.191 0.832 1.068 590 HB2 PHE 88 2HB PHE 88 16.486 -0.648 2.363 591 HB3 PHE 88 1HB PHE 88 15.278 -1.318 1.276 592 HD1 PHE 88 1HD PHE 88 15.300 0.861 -0.791 593 HD2 PHE 88 2HD PHE 88 18.426 -1.155 1.250 594 HE1 PHE 88 1HE PHE 88 16.825 1.387 -2.620 595 HE2 PHE 88 2HE PHE 88 19.954 -0.614 -0.587 596 HZ PHE 88 HZ PHE 88 19.173 0.672 -2.476 597 H GLU 89 H GLU 89 15.926 0.986 4.103 598 HA GLU 89 HA GLU 89 14.017 -0.422 5.566 599 HB2 GLU 89 2HB GLU 89 16.209 1.486 6.237 600 HB3 GLU 89 1HB GLU 89 15.077 0.974 7.479 601 HG2 GLU 89 2HG GLU 89 16.668 -0.884 5.775 602 HG3 GLU 89 1HG GLU 89 17.149 -0.365 7.405 603 H ALA 90 H ALA 90 14.329 2.905 4.544 604 HA ALA 90 HA ALA 90 12.320 3.754 6.360 605 HB1 ALA 90 1HB ALA 90 12.220 5.862 5.085 606 HB2 ALA 90 2HB ALA 90 13.210 5.130 3.822 607 HB3 ALA 90 3HB ALA 90 13.884 5.390 5.430 608 H ALA 91 H ALA 91 12.328 2.867 2.977 609 HA ALA 91 HA ALA 91 9.558 3.331 2.537 610 HB1 ALA 91 1HB ALA 91 11.470 1.617 0.950 611 HB2 ALA 91 2HB ALA 91 11.252 3.348 0.735 612 HB3 ALA 91 3HB ALA 91 9.918 2.245 0.390 613 H LEU 92 H LEU 92 11.416 0.479 3.394 614 HA LEU 92 HA LEU 92 9.284 -1.324 3.156 615 HB2 LEU 92 2HB LEU 92 11.741 -1.447 4.907 616 HB3 LEU 92 1HB LEU 92 10.596 -2.762 4.761 617 HG LEU 92 HG LEU 92 12.250 -1.645 2.486 618 HD11 LEU 92 1HD1 LEU 92 13.502 -3.726 2.617 619 HD12 LEU 92 2HD1 LEU 92 12.564 -4.209 4.027 620 HD13 LEU 92 3HD1 LEU 92 13.635 -2.808 4.117 621 HD21 LEU 92 3HD2 LEU 92 10.151 -2.572 1.706 622 HD22 LEU 92 1HD2 LEU 92 10.432 -4.041 2.644 623 HD23 LEU 92 2HD2 LEU 92 11.487 -3.644 1.288 624 H ALA 93 H ALA 93 10.302 0.740 5.808 625 HA ALA 93 HA ALA 93 8.370 -0.311 7.597 626 HB1 ALA 93 1HB ALA 93 10.381 0.854 8.398 627 HB2 ALA 93 2HB ALA 93 8.916 1.631 9.001 628 HB3 ALA 93 3HB ALA 93 9.804 2.344 7.660 629 H THR 94 H THR 94 8.390 2.308 5.260 630 HA THR 94 HA THR 94 6.020 3.446 6.153 631 HB THR 94 HB THR 94 7.379 3.645 3.449 632 HG1 THR 94 1HG THR 94 8.059 4.468 5.789 633 HG21 THR 94 3HG2 THR 94 6.081 5.714 3.127 634 HG22 THR 94 1HG2 THR 94 5.241 5.429 4.650 635 HG23 THR 94 2HG2 THR 94 5.004 4.328 3.293 636 H GLY 95 H GLY 95 6.840 1.174 3.623 637 HA2 GLY 95 2HA GLY 95 4.271 0.889 2.536 638 HA3 GLY 95 1HA GLY 95 5.645 -0.186 2.286 639 H ASP 96 H ASP 96 6.049 -0.898 5.016 640 HA ASP 96 HA ASP 96 4.262 -3.038 5.155 641 HB2 ASP 96 2HB ASP 96 6.488 -3.210 6.075 642 HB3 ASP 96 1HB ASP 96 6.152 -1.910 7.211 643 H LEU 97 H LEU 97 4.451 -0.030 6.987 644 HA LEU 97 HA LEU 97 2.288 -0.671 8.672 645 HB2 LEU 97 2HB LEU 97 3.387 2.027 7.947 646 HB3 LEU 97 1HB LEU 97 2.134 1.773 9.142 647 HG LEU 97 HG LEU 97 4.977 0.817 9.270 648 HD11 LEU 97 1HD1 LEU 97 3.410 2.791 10.918 649 HD12 LEU 97 2HD1 LEU 97 4.702 3.164 9.773 650 HD13 LEU 97 3HD1 LEU 97 5.060 2.268 11.250 651 HD21 LEU 97 3HD2 LEU 97 3.557 -0.904 10.193 652 HD22 LEU 97 1HD2 LEU 97 2.673 0.290 11.146 653 HD23 LEU 97 2HD2 LEU 97 4.367 -0.054 11.509 654 H LEU 98 H LEU 98 2.309 1.178 5.653 655 HA LEU 98 HA LEU 98 -0.490 1.604 5.852 656 HB2 LEU 98 2HB LEU 98 -0.416 2.495 3.618 657 HB3 LEU 98 1HB LEU 98 0.943 3.109 4.541 658 HG LEU 98 HG LEU 98 2.116 1.081 3.455 659 HD11 LEU 98 1HD1 LEU 98 0.263 0.172 2.250 660 HD12 LEU 98 2HD1 LEU 98 1.409 0.807 1.065 661 HD13 LEU 98 3HD1 LEU 98 -0.046 1.716 1.463 662 HD21 LEU 98 3HD2 LEU 98 1.635 3.707 2.040 663 HD22 LEU 98 1HD2 LEU 98 2.938 2.587 1.647 664 HD23 LEU 98 2HD2 LEU 98 2.890 3.358 3.230 665 H LEU 99 H LEU 99 1.450 -1.016 4.601 666 HA LEU 99 HA LEU 99 -0.623 -2.180 3.078 667 HB2 LEU 99 2HB LEU 99 1.939 -2.610 2.956 668 HB3 LEU 99 1HB LEU 99 1.694 -3.678 4.315 669 HG LEU 99 HG LEU 99 0.307 -4.072 1.657 670 HD11 LEU 99 1HD1 LEU 99 2.019 -5.747 1.178 671 HD12 LEU 99 2HD1 LEU 99 2.889 -5.275 2.640 672 HD13 LEU 99 3HD1 LEU 99 2.711 -4.130 1.311 673 HD21 LEU 99 3HD2 LEU 99 0.875 -5.975 3.928 674 HD22 LEU 99 1HD2 LEU 99 0.028 -6.353 2.430 675 HD23 LEU 99 2HD2 LEU 99 -0.686 -5.227 3.587 676 H LYS 100 H LYS 100 0.521 -2.391 6.342 677 HA LYS 100 HA LYS 100 -1.260 -4.331 7.278 678 HB2 LYS 100 2HB LYS 100 0.257 -2.095 8.590 679 HB3 LYS 100 1HB LYS 100 -0.885 -3.061 9.505 680 HG2 LYS 100 2HG LYS 100 0.402 -5.038 9.131 681 HG3 LYS 100 1HG LYS 100 1.474 -4.181 8.016 682 HD2 LYS 100 2HD LYS 100 2.415 -2.902 9.712 683 HD3 LYS 100 1HD LYS 100 1.131 -3.289 10.870 684 HE2 LYS 100 2HE LYS 100 3.215 -4.474 11.388 685 HE3 LYS 100 1HE LYS 100 1.930 -5.599 10.958 686 HZ1 LYS 100 3HZ LYS 100 4.043 -6.171 9.909 687 HZ2 LYS 100 1HZ LYS 100 4.105 -4.667 9.182 688 HZ3 LYS 100 2HZ LYS 100 2.917 -5.747 8.722 689 H ASP 101 H ASP 101 -1.432 -0.913 6.662 690 HA ASP 101 HA ASP 101 -3.822 -0.515 8.120 691 HB2 ASP 101 2HB ASP 101 -2.224 1.314 7.661 692 HB3 ASP 101 1HB ASP 101 -2.614 1.202 5.949 693 H LEU 102 H LEU 102 -3.010 -1.091 4.764 694 HA LEU 102 HA LEU 102 -5.477 -0.962 3.506 695 HB2 LEU 102 2HB LEU 102 -3.157 -2.832 3.034 696 HB3 LEU 102 1HB LEU 102 -4.568 -2.803 2.001 697 HG LEU 102 HG LEU 102 -2.741 -0.426 2.423 698 HD11 LEU 102 1HD1 LEU 102 -2.887 -2.376 0.125 699 HD12 LEU 102 2HD1 LEU 102 -1.589 -2.323 1.312 700 HD13 LEU 102 3HD1 LEU 102 -1.845 -0.958 0.223 701 HD21 LEU 102 3HD2 LEU 102 -5.040 0.112 1.734 702 HD22 LEU 102 1HD2 LEU 102 -4.875 -0.995 0.373 703 HD23 LEU 102 2HD2 LEU 102 -3.870 0.449 0.463 704 H LYS 103 H LYS 103 -3.976 -3.739 5.116 705 HA LYS 103 HA LYS 103 -6.211 -5.420 4.716 706 HB2 LYS 103 2HB LYS 103 -4.001 -5.650 6.757 707 HB3 LYS 103 1HB LYS 103 -5.160 -6.910 6.378 708 HG2 LYS 103 2HG LYS 103 -4.303 -6.947 4.056 709 HG3 LYS 103 1HG LYS 103 -3.079 -5.768 4.532 710 HD2 LYS 103 2HD LYS 103 -2.247 -7.328 6.223 711 HD3 LYS 103 1HD LYS 103 -3.439 -8.524 5.716 712 HE2 LYS 103 2HE LYS 103 -1.178 -7.400 4.057 713 HE3 LYS 103 1HE LYS 103 -1.276 -9.024 4.732 714 HZ1 LYS 103 3HZ LYS 103 -3.269 -9.365 3.305 715 HZ2 LYS 103 1HZ LYS 103 -1.857 -9.079 2.427 716 HZ3 LYS 103 2HZ LYS 103 -2.956 -7.861 2.568 717 H ALA 104 H ALA 104 -5.348 -3.188 7.277 718 HA ALA 104 HA ALA 104 -7.189 -4.211 9.161 719 HB1 ALA 104 1HB ALA 104 -5.910 -1.490 9.013 720 HB2 ALA 104 2HB ALA 104 -5.211 -2.903 9.800 721 HB3 ALA 104 3HB ALA 104 -6.692 -2.188 10.432 722 H LEU 105 H LEU 105 -7.248 -1.582 6.811 723 HA LEU 105 HA LEU 105 -9.812 -0.778 7.587 724 HB2 LEU 105 2HB LEU 105 -9.726 0.857 5.930 725 HB3 LEU 105 1HB LEU 105 -8.033 0.588 6.258 726 HG LEU 105 HG LEU 105 -8.459 -1.135 4.211 727 HD11 LEU 105 1HD1 LEU 105 -10.727 -0.493 3.850 728 HD12 LEU 105 2HD1 LEU 105 -9.744 0.013 2.476 729 HD13 LEU 105 3HD1 LEU 105 -10.266 1.201 3.671 730 HD21 LEU 105 3HD2 LEU 105 -6.628 0.503 4.408 731 HD22 LEU 105 1HD2 LEU 105 -7.737 1.790 3.950 732 HD23 LEU 105 2HD2 LEU 105 -7.330 0.521 2.790 733 H GLN 106 H GLN 106 -8.459 -3.053 5.293 734 HA GLN 106 HA GLN 106 -10.733 -3.674 3.792 735 HB2 GLN 106 2HB GLN 106 -8.458 -4.427 3.203 736 HB3 GLN 106 1HB GLN 106 -8.435 -5.427 4.642 737 HG2 GLN 106 2HG GLN 106 -10.324 -6.724 3.728 738 HG3 GLN 106 1HG GLN 106 -10.210 -5.770 2.243 739 HE21 GLN 106 1HE2 GLN 106 -9.692 -7.624 0.996 740 HE22 GLN 106 2HE2 GLN 106 -8.144 -8.353 1.097 741 H LYS 107 H LYS 107 -9.505 -5.050 6.778 742 HA LYS 107 HA LYS 107 -11.722 -6.720 6.947 743 HB2 LYS 107 2HB LYS 107 -9.516 -6.142 8.802 744 HB3 LYS 107 1HB LYS 107 -11.015 -6.669 9.565 745 HG2 LYS 107 2HG LYS 107 -9.646 -8.597 9.147 746 HG3 LYS 107 1HG LYS 107 -11.041 -8.638 8.069 747 HD2 LYS 107 2HD LYS 107 -9.265 -9.286 6.704 748 HD3 LYS 107 1HD LYS 107 -9.449 -7.570 6.348 749 HE2 LYS 107 2HE LYS 107 -7.116 -8.045 6.603 750 HE3 LYS 107 1HE LYS 107 -7.644 -7.088 7.980 751 HZ1 LYS 107 3HZ LYS 107 -6.215 -8.906 8.653 752 HZ2 LYS 107 1HZ LYS 107 -7.248 -10.015 7.932 753 HZ3 LYS 107 2HZ LYS 107 -7.760 -9.150 9.288 754 H ARG 108 H ARG 108 -11.374 -3.431 7.920 755 HA ARG 108 HA ARG 108 -13.809 -3.351 9.414 756 HB2 ARG 108 2HB ARG 108 -12.203 -1.183 8.079 757 HB3 ARG 108 1HB ARG 108 -13.725 -0.862 8.889 758 HG2 ARG 108 2HG ARG 108 -12.729 -1.784 10.976 759 HG3 ARG 108 1HG ARG 108 -11.186 -1.904 10.123 760 HD2 ARG 108 2HD ARG 108 -12.765 0.645 10.430 761 HD3 ARG 108 1HD ARG 108 -11.452 0.172 11.497 762 HE ARG 108 HE ARG 108 -9.980 0.266 9.582 763 HH11 ARG 108 1HH1 ARG 108 -13.095 1.989 9.184 764 HH12 ARG 108 2HH1 ARG 108 -12.452 3.145 8.135 765 HH21 ARG 108 1HH2 ARG 108 -9.119 1.956 8.189 766 HH22 ARG 108 2HH2 ARG 108 -10.163 3.162 7.610 767 H VAL 109 H VAL 109 -12.998 -2.623 6.076 768 HA VAL 109 HA VAL 109 -15.611 -1.946 5.477 769 HB VAL 109 HB VAL 109 -13.397 -2.843 3.635 770 HG11 VAL 109 1HG1 VAL 109 -15.955 -1.360 2.987 771 HG12 VAL 109 2HG1 VAL 109 -15.574 -3.011 2.500 772 HG13 VAL 109 3HG1 VAL 109 -14.647 -1.658 1.850 773 HG21 VAL 109 3HG2 VAL 109 -14.316 -0.088 4.424 774 HG22 VAL 109 1HG2 VAL 109 -13.051 -0.453 3.251 775 HG23 VAL 109 2HG2 VAL 109 -12.839 -0.891 4.948 776 H GLN 110 H GLN 110 -13.803 -4.926 5.252 777 HA GLN 110 HA GLN 110 -15.547 -6.729 4.020 778 HB2 GLN 110 2HB GLN 110 -13.139 -7.044 4.637 779 HB3 GLN 110 1HB GLN 110 -13.627 -7.111 6.309 780 HG2 GLN 110 2HG GLN 110 -13.174 -9.290 5.632 781 HG3 GLN 110 1HG GLN 110 -14.924 -9.148 5.779 782 HE21 GLN 110 1HE2 GLN 110 -13.101 -7.900 3.045 783 HE22 GLN 110 2HE2 GLN 110 -13.756 -9.008 1.903 784 H ASP 111 H ASP 111 -15.337 -5.410 7.262 785 HA ASP 111 HA ASP 111 -17.048 -7.338 8.382 786 HB2 ASP 111 2HB ASP 111 -15.351 -6.319 9.795 787 HB3 ASP 111 1HB ASP 111 -16.109 -4.745 9.587 788 H SER 112 H SER 112 -17.420 -4.163 7.123 789 HA SER 112 HA SER 112 -20.023 -3.732 8.056 790 HB2 SER 112 2HB SER 112 -18.588 -2.510 5.706 791 HB3 SER 112 1HB SER 112 -20.085 -1.905 6.426 792 HG SER 112 HG SER 112 -18.589 -2.129 8.446 793 H GLU 113 H GLU 113 -18.808 -5.623 5.429 794 HA GLU 113 HA GLU 113 -21.100 -5.745 3.816 795 HB2 GLU 113 2HB GLU 113 -19.058 -7.902 4.316 796 HB3 GLU 113 1HB GLU 113 -20.202 -7.875 2.986 797 HG2 GLU 113 2HG GLU 113 -19.111 -5.798 2.206 798 HG3 GLU 113 1HG GLU 113 -17.874 -6.027 3.448 Start of MODEL 2 1 H1 ASN 18 1HT ASN 18 14.131 10.926 0.721 2 H2 ASN 18 2HT ASN 18 14.586 9.343 1.205 3 H3 ASN 18 3HT ASN 18 14.224 10.512 2.345 4 HA ASN 18 HA ASN 18 12.454 8.883 1.986 5 HB2 ASN 18 2HB ASN 18 11.937 11.821 1.511 6 HB3 ASN 18 1HB ASN 18 10.625 10.663 1.692 7 HD21 ASN 18 1HD2 ASN 18 9.899 11.578 3.566 8 HD22 ASN 18 2HD2 ASN 18 10.733 11.448 5.069 9 H THR 19 H THR 19 13.954 8.642 -0.467 10 HA THR 19 HA THR 19 12.547 9.271 -2.778 11 HB THR 19 HB THR 19 14.174 6.774 -2.380 12 HG1 THR 19 1HG THR 19 16.009 7.933 -2.166 13 HG21 THR 19 3HG2 THR 19 14.082 8.863 -4.573 14 HG22 THR 19 1HG2 THR 19 13.304 7.281 -4.627 15 HG23 THR 19 2HG2 THR 19 15.065 7.400 -4.597 16 H ALA 20 H ALA 20 12.726 6.355 -0.793 17 HA ALA 20 HA ALA 20 10.828 4.877 -2.264 18 HB1 ALA 20 1HB ALA 20 11.015 3.248 -0.562 19 HB2 ALA 20 2HB ALA 20 11.735 4.414 0.556 20 HB3 ALA 20 3HB ALA 20 12.621 3.900 -0.885 21 H THR 21 H THR 21 10.553 7.122 0.392 22 HA THR 21 HA THR 21 8.052 6.449 1.414 23 HB THR 21 HB THR 21 9.180 9.171 1.038 24 HG1 THR 21 1HG THR 21 9.750 7.618 3.334 25 HG21 THR 21 3HG2 THR 21 8.129 9.607 3.264 26 HG22 THR 21 1HG2 THR 21 7.491 7.963 3.251 27 HG23 THR 21 2HG2 THR 21 6.955 9.126 2.041 28 H GLN 22 H GLN 22 9.062 8.636 -1.211 29 HA GLN 22 HA GLN 22 6.480 9.557 -1.852 30 HB2 GLN 22 2HB GLN 22 8.950 9.432 -3.587 31 HB3 GLN 22 1HB GLN 22 7.481 10.312 -3.992 32 HG2 GLN 22 2HG GLN 22 9.297 10.833 -1.653 33 HG3 GLN 22 1HG GLN 22 9.130 11.825 -3.102 34 HE21 GLN 22 1HE2 GLN 22 8.683 12.429 -0.261 35 HE22 GLN 22 2HE2 GLN 22 7.076 13.042 -0.164 36 H ARG 23 H ARG 23 8.351 6.854 -2.877 37 HA ARG 23 HA ARG 23 6.607 6.030 -4.967 38 HB2 ARG 23 2HB ARG 23 8.624 4.366 -3.423 39 HB3 ARG 23 1HB ARG 23 7.934 3.964 -4.994 40 HG2 ARG 23 2HG ARG 23 9.010 5.951 -5.971 41 HG3 ARG 23 1HG ARG 23 9.672 6.349 -4.401 42 HD2 ARG 23 2HD ARG 23 11.410 5.337 -5.649 43 HD3 ARG 23 1HD ARG 23 10.898 4.166 -4.448 44 HE ARG 23 HE ARG 23 9.462 3.466 -6.626 45 HH11 ARG 23 1HH1 ARG 23 12.928 4.136 -6.183 46 HH12 ARG 23 2HH1 ARG 23 13.464 3.061 -7.365 47 HH21 ARG 23 1HH2 ARG 23 10.211 1.974 -8.345 48 HH22 ARG 23 2HH2 ARG 23 11.881 1.804 -8.631 49 H PHE 24 H PHE 24 6.653 5.544 -1.479 50 HA PHE 24 HA PHE 24 4.542 3.562 -1.692 51 HB2 PHE 24 2HB PHE 24 6.203 4.544 0.616 52 HB3 PHE 24 1HB PHE 24 4.674 3.733 0.933 53 HD1 PHE 24 1HD PHE 24 6.583 2.759 -1.991 54 HD2 PHE 24 2HD PHE 24 5.918 1.884 2.147 55 HE1 PHE 24 1HE PHE 24 7.641 0.591 -2.265 56 HE2 PHE 24 2HE PHE 24 6.984 -0.273 1.839 57 HZ PHE 24 HZ PHE 24 7.851 -0.938 -0.349 58 H HIS 25 H HIS 25 4.832 6.832 -1.562 59 HA HIS 25 HA HIS 25 2.432 7.477 -0.172 60 HB2 HIS 25 2HB HIS 25 4.353 9.088 -0.641 61 HB3 HIS 25 1HB HIS 25 3.801 9.149 -2.309 62 HD1 HIS 25 1HD HIS 25 2.498 11.228 -2.722 63 HD2 HIS 25 2HD HIS 25 1.959 9.819 1.150 64 HE1 HIS 25 1HE HIS 25 0.967 12.860 -1.618 65 HE2 HIS 25 2HE HIS 25 0.468 11.850 0.624 66 H GLU 26 H GLU 26 3.147 6.190 -3.212 67 HA GLU 26 HA GLU 26 0.845 6.819 -4.704 68 HB2 GLU 26 2HB GLU 26 2.580 4.344 -4.691 69 HB3 GLU 26 1HB GLU 26 1.317 4.651 -5.870 70 HG2 GLU 26 2HG GLU 26 3.757 6.352 -5.431 71 HG3 GLU 26 1HG GLU 26 3.535 5.185 -6.736 72 H ILE 27 H ILE 27 1.592 4.315 -2.366 73 HA ILE 27 HA ILE 27 -0.918 2.985 -2.638 74 HB ILE 27 HB ILE 27 1.102 2.722 -0.386 75 HG12 ILE 27 2HG1 ILE 27 2.246 2.320 -2.489 76 HG13 ILE 27 1HG1 ILE 27 1.989 0.783 -1.676 77 HG21 ILE 27 1HG2 ILE 27 0.132 0.477 -0.106 78 HG22 ILE 27 2HG2 ILE 27 -1.028 0.821 -1.387 79 HG23 ILE 27 3HG2 ILE 27 -1.083 1.737 0.120 80 HD11 ILE 27 3HD1 ILE 27 0.077 0.349 -3.149 81 HD12 ILE 27 1HD1 ILE 27 1.578 0.583 -4.052 82 HD13 ILE 27 2HD1 ILE 27 0.387 1.879 -3.974 83 H GLU 28 H GLU 28 0.486 5.376 -0.588 84 HA GLU 28 HA GLU 28 -1.430 5.573 1.439 85 HB2 GLU 28 2HB GLU 28 0.844 6.708 1.273 86 HB3 GLU 28 1HB GLU 28 0.111 7.851 0.175 87 HG2 GLU 28 2HG GLU 28 0.211 8.857 2.321 88 HG3 GLU 28 1HG GLU 28 -1.477 8.479 1.984 89 H LYS 29 H LYS 29 -1.242 7.209 -1.699 90 HA LYS 29 HA LYS 29 -3.734 8.433 -1.328 91 HB2 LYS 29 2HB LYS 29 -3.744 9.011 -3.791 92 HB3 LYS 29 1HB LYS 29 -2.404 9.626 -2.852 93 HG2 LYS 29 2HG LYS 29 -0.946 7.951 -3.785 94 HG3 LYS 29 1HG LYS 29 -2.301 7.221 -4.647 95 HD2 LYS 29 2HD LYS 29 -2.612 9.169 -5.969 96 HD3 LYS 29 1HD LYS 29 -1.425 10.085 -5.028 97 HE2 LYS 29 2HE LYS 29 -0.493 9.391 -7.152 98 HE3 LYS 29 1HE LYS 29 0.323 8.551 -5.838 99 HZ1 LYS 29 3HZ LYS 29 -1.681 7.459 -7.737 100 HZ2 LYS 29 1HZ LYS 29 -1.231 6.639 -6.331 101 HZ3 LYS 29 2HZ LYS 29 -0.081 6.989 -7.506 102 H PHE 30 H PHE 30 -2.914 5.372 -2.804 103 HA PHE 30 HA PHE 30 -5.450 4.688 -3.783 104 HB2 PHE 30 2HB PHE 30 -3.180 3.105 -2.694 105 HB3 PHE 30 1HB PHE 30 -4.735 2.304 -2.852 106 HD1 PHE 30 1HD PHE 30 -5.683 1.869 -5.033 107 HD2 PHE 30 2HD PHE 30 -1.884 3.721 -4.640 108 HE1 PHE 30 1HE PHE 30 -5.213 1.391 -7.402 109 HE2 PHE 30 2HE PHE 30 -1.396 3.251 -7.003 110 HZ PHE 30 HZ PHE 30 -3.065 2.080 -8.391 111 H LEU 31 H LEU 31 -4.110 4.392 -0.544 112 HA LEU 31 HA LEU 31 -6.243 3.052 0.653 113 HB2 LEU 31 2HB LEU 31 -3.881 3.425 1.507 114 HB3 LEU 31 1HB LEU 31 -4.370 5.032 1.964 115 HG LEU 31 HG LEU 31 -5.638 2.537 3.112 116 HD11 LEU 31 1HD1 LEU 31 -3.255 2.541 3.579 117 HD12 LEU 31 2HD1 LEU 31 -4.182 2.885 5.038 118 HD13 LEU 31 3HD1 LEU 31 -3.365 4.194 4.183 119 HD21 LEU 31 3HD2 LEU 31 -6.340 4.013 4.908 120 HD22 LEU 31 1HD2 LEU 31 -6.944 4.614 3.365 121 HD23 LEU 31 2HD2 LEU 31 -5.551 5.388 4.129 122 H LEU 32 H LEU 32 -5.628 6.546 0.361 123 HA LEU 32 HA LEU 32 -8.033 7.185 1.704 124 HB2 LEU 32 2HB LEU 32 -7.684 9.519 1.045 125 HB3 LEU 32 1HB LEU 32 -6.222 8.818 1.687 126 HG LEU 32 HG LEU 32 -5.642 8.494 -0.853 127 HD11 LEU 32 1HD1 LEU 32 -7.609 10.756 -0.991 128 HD12 LEU 32 2HD1 LEU 32 -7.732 9.187 -1.789 129 HD13 LEU 32 3HD1 LEU 32 -6.457 10.319 -2.250 130 HD21 LEU 32 3HD2 LEU 32 -4.517 10.646 -0.857 131 HD22 LEU 32 1HD2 LEU 32 -4.365 9.849 0.707 132 HD23 LEU 32 2HD2 LEU 32 -5.513 11.179 0.495 133 H HIS 33 H HIS 33 -7.216 6.672 -1.619 134 HA HIS 33 HA HIS 33 -9.543 7.539 -2.910 135 HB2 HIS 33 2HB HIS 33 -7.537 6.888 -4.166 136 HB3 HIS 33 1HB HIS 33 -7.673 5.237 -3.580 137 HD1 HIS 33 1HD HIS 33 -8.774 3.625 -5.255 138 HD2 HIS 33 2HD HIS 33 -9.899 7.606 -5.808 139 HE1 HIS 33 1HE HIS 33 -10.267 3.642 -7.196 140 HE2 HIS 33 2HE HIS 33 -11.347 5.887 -6.940 141 H ILE 34 H ILE 34 -8.728 4.479 -1.378 142 HA ILE 34 HA ILE 34 -11.074 3.133 -2.044 143 HB ILE 34 HB ILE 34 -9.047 2.713 0.147 144 HG12 ILE 34 2HG1 ILE 34 -9.495 1.321 -2.498 145 HG13 ILE 34 1HG1 ILE 34 -8.248 2.513 -2.161 146 HG21 ILE 34 1HG2 ILE 34 -9.952 0.459 0.453 147 HG22 ILE 34 2HG2 ILE 34 -11.245 0.814 -0.690 148 HG23 ILE 34 3HG2 ILE 34 -11.165 1.681 0.846 149 HD11 ILE 34 3HD1 ILE 34 -8.570 -0.122 -0.841 150 HD12 ILE 34 1HD1 ILE 34 -7.241 1.001 -0.558 151 HD13 ILE 34 2HD1 ILE 34 -7.412 0.225 -2.143 152 H THR 35 H THR 35 -10.166 4.941 0.857 153 HA THR 35 HA THR 35 -12.498 4.416 2.322 154 HB THR 35 HB THR 35 -10.854 6.923 2.407 155 HG1 THR 35 1HG THR 35 -9.356 5.254 2.742 156 HG21 THR 35 3HG2 THR 35 -11.482 6.962 4.805 157 HG22 THR 35 1HG2 THR 35 -12.449 5.506 4.560 158 HG23 THR 35 2HG2 THR 35 -12.901 7.012 3.761 159 H HIS 36 H HIS 36 -11.718 7.005 0.045 160 HA HIS 36 HA HIS 36 -14.103 8.500 0.252 161 HB2 HIS 36 2HB HIS 36 -12.063 9.328 -0.902 162 HB3 HIS 36 1HB HIS 36 -12.283 8.107 -2.145 163 HD1 HIS 36 1HD HIS 36 -14.074 8.564 -3.973 164 HD2 HIS 36 2HD HIS 36 -13.801 11.519 -1.051 165 HE1 HIS 36 1HE HIS 36 -15.352 10.523 -4.854 166 HE2 HIS 36 2HE HIS 36 -14.781 12.367 -3.245 167 H GLU 37 H GLU 37 -13.183 5.868 -1.902 168 HA GLU 37 HA GLU 37 -15.639 5.831 -3.194 169 HB2 GLU 37 2HB GLU 37 -13.207 4.322 -3.354 170 HB3 GLU 37 1HB GLU 37 -14.615 3.270 -3.473 171 HG2 GLU 37 2HG GLU 37 -14.076 3.915 -5.651 172 HG3 GLU 37 1HG GLU 37 -15.529 4.785 -5.155 173 H VAL 38 H VAL 38 -14.571 4.278 -0.282 174 HA VAL 38 HA VAL 38 -16.646 2.440 0.008 175 HB VAL 38 HB VAL 38 -15.233 3.993 2.228 176 HG11 VAL 38 1HG1 VAL 38 -16.008 2.177 3.726 177 HG12 VAL 38 2HG1 VAL 38 -16.867 1.446 2.372 178 HG13 VAL 38 3HG1 VAL 38 -17.373 3.020 2.985 179 HG21 VAL 38 3HG2 VAL 38 -14.705 1.212 1.188 180 HG22 VAL 38 1HG2 VAL 38 -13.925 1.971 2.572 181 HG23 VAL 38 2HG2 VAL 38 -13.667 2.629 0.955 182 H ASP 39 H ASP 39 -16.397 5.846 0.880 183 HA ASP 39 HA ASP 39 -18.947 5.785 1.983 184 HB2 ASP 39 2HB ASP 39 -17.465 7.620 2.597 185 HB3 ASP 39 1HB ASP 39 -17.488 8.221 0.939 186 H ASP 40 H ASP 40 -17.717 6.617 -1.192 187 HA ASP 40 HA ASP 40 -20.050 7.619 -2.294 188 HB2 ASP 40 2HB ASP 40 -17.821 7.912 -3.330 189 HB3 ASP 40 1HB ASP 40 -17.797 6.205 -3.733 190 H LEU 41 H LEU 41 -18.780 4.321 -2.135 191 HA LEU 41 HA LEU 41 -20.759 3.325 -3.857 192 HB2 LEU 41 2HB LEU 41 -20.024 1.077 -3.167 193 HB3 LEU 41 1HB LEU 41 -18.712 2.098 -3.689 194 HG LEU 41 HG LEU 41 -18.349 2.497 -1.153 195 HD11 LEU 41 1HD1 LEU 41 -19.824 -0.129 -1.007 196 HD12 LEU 41 2HD1 LEU 41 -20.362 1.406 -0.354 197 HD13 LEU 41 3HD1 LEU 41 -18.921 0.648 0.299 198 HD21 LEU 41 3HD2 LEU 41 -17.670 -0.051 -2.564 199 HD22 LEU 41 1HD2 LEU 41 -16.889 0.498 -1.075 200 HD23 LEU 41 2HD2 LEU 41 -16.748 1.451 -2.553 201 H GLU 42 H GLU 42 -20.557 3.741 -0.410 202 HA GLU 42 HA GLU 42 -22.808 2.260 0.201 203 HB2 GLU 42 2HB GLU 42 -21.650 4.675 1.592 204 HB3 GLU 42 1HB GLU 42 -22.965 3.723 2.257 205 HG2 GLU 42 2HG GLU 42 -20.283 2.558 1.570 206 HG3 GLU 42 1HG GLU 42 -20.657 3.246 3.141 207 H LYS 43 H LYS 43 -22.425 5.447 -1.167 208 HA LYS 43 HA LYS 43 -25.230 6.202 -0.745 209 HB2 LYS 43 2HB LYS 43 -23.184 7.696 -2.376 210 HB3 LYS 43 1HB LYS 43 -24.645 8.326 -1.638 211 HG2 LYS 43 2HG LYS 43 -22.153 7.426 -0.240 212 HG3 LYS 43 1HG LYS 43 -22.759 9.076 -0.396 213 HD2 LYS 43 2HD LYS 43 -24.717 8.490 0.901 214 HD3 LYS 43 1HD LYS 43 -24.141 6.820 0.961 215 HE2 LYS 43 2HE LYS 43 -23.633 8.134 3.063 216 HE3 LYS 43 1HE LYS 43 -22.236 7.420 2.265 217 HZ1 LYS 43 3HZ LYS 43 -21.530 9.468 1.474 218 HZ2 LYS 43 1HZ LYS 43 -21.991 9.777 3.035 219 HZ3 LYS 43 2HZ LYS 43 -22.998 10.263 1.785 220 H THR 44 H THR 44 -23.092 5.084 -3.104 221 HA THR 44 HA THR 44 -24.750 5.538 -5.376 222 HB THR 44 HB THR 44 -22.030 4.394 -4.844 223 HG1 THR 44 1HG THR 44 -21.305 6.315 -5.450 224 HG21 THR 44 3HG2 THR 44 -22.835 3.373 -6.853 225 HG22 THR 44 1HG2 THR 44 -21.540 4.541 -7.147 226 HG23 THR 44 2HG2 THR 44 -23.231 4.988 -7.525 227 H GLY 45 H GLY 45 -24.780 3.222 -2.996 228 HA2 GLY 45 2HA GLY 45 -26.702 1.657 -3.378 229 HA3 GLY 45 1HA GLY 45 -25.986 1.332 -4.941 230 H ASN 46 H ASN 46 -23.308 1.020 -4.099 231 HA ASN 46 HA ASN 46 -21.821 -0.525 -3.249 232 HB2 ASN 46 2HB ASN 46 -22.657 0.161 -1.028 233 HB3 ASN 46 1HB ASN 46 -24.036 -0.912 -1.183 234 HD21 ASN 46 1HD2 ASN 46 -23.592 -2.056 0.592 235 HD22 ASN 46 2HD2 ASN 46 -22.305 -3.172 0.763 236 H LYS 47 H LYS 47 -23.380 -1.231 -5.406 237 HA LYS 47 HA LYS 47 -24.607 -3.719 -4.943 238 HB2 LYS 47 2HB LYS 47 -25.267 -2.319 -6.862 239 HB3 LYS 47 1HB LYS 47 -23.698 -2.587 -7.597 240 HG2 LYS 47 2HG LYS 47 -24.222 -4.998 -7.738 241 HG3 LYS 47 1HG LYS 47 -25.828 -4.645 -7.099 242 HD2 LYS 47 2HD LYS 47 -26.217 -3.132 -9.004 243 HD3 LYS 47 1HD LYS 47 -24.645 -3.583 -9.660 244 HE2 LYS 47 2HE LYS 47 -26.377 -4.868 -10.767 245 HE3 LYS 47 1HE LYS 47 -25.394 -5.935 -9.768 246 HZ1 LYS 47 3HZ LYS 47 -27.736 -6.440 -9.504 247 HZ2 LYS 47 1HZ LYS 47 -28.064 -4.848 -9.058 248 HZ3 LYS 47 2HZ LYS 47 -27.132 -5.831 -8.070 249 H ASP 48 H ASP 48 -21.471 -3.018 -6.348 250 HA ASP 48 HA ASP 48 -20.489 -5.525 -5.228 251 HB2 ASP 48 2HB ASP 48 -19.866 -6.619 -7.204 252 HB3 ASP 48 1HB ASP 48 -21.448 -5.966 -7.595 253 H GLU 49 H GLU 49 -20.068 -2.350 -5.977 254 HA GLU 49 HA GLU 49 -17.378 -2.090 -6.761 255 HB2 GLU 49 2HB GLU 49 -19.134 -0.335 -6.920 256 HB3 GLU 49 1HB GLU 49 -19.138 -0.225 -5.168 257 HG2 GLU 49 2HG GLU 49 -17.855 1.567 -6.011 258 HG3 GLU 49 1HG GLU 49 -16.754 0.404 -5.266 259 H LYS 50 H LYS 50 -18.867 -2.420 -3.607 260 HA LYS 50 HA LYS 50 -16.594 -1.652 -2.134 261 HB2 LYS 50 2HB LYS 50 -18.845 -1.872 -1.197 262 HB3 LYS 50 1HB LYS 50 -18.777 -3.581 -1.415 263 HG2 LYS 50 2HG LYS 50 -17.494 -3.943 0.407 264 HG3 LYS 50 1HG LYS 50 -16.503 -2.509 0.117 265 HD2 LYS 50 2HD LYS 50 -17.679 -2.108 2.104 266 HD3 LYS 50 1HD LYS 50 -18.389 -1.182 0.762 267 HE2 LYS 50 2HE LYS 50 -20.187 -2.834 0.545 268 HE3 LYS 50 1HE LYS 50 -19.512 -3.749 1.891 269 HZ1 LYS 50 3HZ LYS 50 -20.677 -0.979 2.102 270 HZ2 LYS 50 1HZ LYS 50 -20.014 -1.903 3.368 271 HZ3 LYS 50 2HZ LYS 50 -21.383 -2.410 2.567 272 H ALA 51 H ALA 51 -17.759 -4.689 -2.908 273 HA ALA 51 HA ALA 51 -15.628 -6.315 -2.076 274 HB1 ALA 51 1HB ALA 51 -17.357 -6.826 -4.489 275 HB2 ALA 51 2HB ALA 51 -17.794 -7.198 -2.824 276 HB3 ALA 51 3HB ALA 51 -16.438 -8.031 -3.584 277 H ARG 52 H ARG 52 -16.075 -4.824 -5.250 278 HA ARG 52 HA ARG 52 -13.618 -5.756 -6.324 279 HB2 ARG 52 2HB ARG 52 -15.476 -3.573 -7.150 280 HB3 ARG 52 1HB ARG 52 -13.907 -3.734 -7.920 281 HG2 ARG 52 2HG ARG 52 -14.505 -6.068 -8.504 282 HG3 ARG 52 1HG ARG 52 -16.121 -5.765 -7.857 283 HD2 ARG 52 2HD ARG 52 -14.875 -4.006 -9.898 284 HD3 ARG 52 1HD ARG 52 -15.774 -5.451 -10.388 285 HE ARG 52 HE ARG 52 -17.686 -4.473 -9.284 286 HH11 ARG 52 1HH1 ARG 52 -15.033 -2.255 -10.198 287 HH12 ARG 52 2HH1 ARG 52 -16.015 -0.881 -10.239 288 HH21 ARG 52 1HH2 ARG 52 -19.039 -2.593 -9.416 289 HH22 ARG 52 2HH2 ARG 52 -18.380 -1.061 -9.837 290 H LEU 53 H LEU 53 -14.476 -2.736 -4.730 291 HA LEU 53 HA LEU 53 -12.041 -1.491 -4.919 292 HB2 LEU 53 2HB LEU 53 -14.115 -0.454 -4.267 293 HB3 LEU 53 1HB LEU 53 -14.166 -1.425 -2.808 294 HG LEU 53 HG LEU 53 -12.110 -0.543 -2.226 295 HD11 LEU 53 1HD1 LEU 53 -12.694 1.476 -4.445 296 HD12 LEU 53 2HD1 LEU 53 -11.309 0.391 -4.364 297 HD13 LEU 53 3HD1 LEU 53 -11.433 1.737 -3.245 298 HD21 LEU 53 3HD2 LEU 53 -14.451 1.330 -2.411 299 HD22 LEU 53 1HD2 LEU 53 -13.058 1.663 -1.383 300 HD23 LEU 53 2HD2 LEU 53 -14.034 0.224 -1.103 301 H LEU 54 H LEU 54 -13.219 -3.851 -2.556 302 HA LEU 54 HA LEU 54 -10.947 -3.776 -0.903 303 HB2 LEU 54 2HB LEU 54 -12.831 -6.058 -1.450 304 HB3 LEU 54 1HB LEU 54 -11.637 -6.056 -0.164 305 HG LEU 54 HG LEU 54 -14.012 -4.216 -0.408 306 HD11 LEU 54 1HD1 LEU 54 -14.808 -5.359 1.580 307 HD12 LEU 54 2HD1 LEU 54 -13.417 -6.442 1.519 308 HD13 LEU 54 3HD1 LEU 54 -14.615 -6.469 0.225 309 HD21 LEU 54 3HD2 LEU 54 -11.876 -4.362 1.725 310 HD22 LEU 54 1HD2 LEU 54 -13.364 -3.422 1.821 311 HD23 LEU 54 2HD2 LEU 54 -12.161 -3.028 0.606 312 H ARG 55 H ARG 55 -11.619 -5.346 -3.866 313 HA ARG 55 HA ARG 55 -9.277 -7.031 -3.892 314 HB2 ARG 55 2HB ARG 55 -10.880 -6.024 -6.271 315 HB3 ARG 55 1HB ARG 55 -9.683 -7.309 -6.324 316 HG2 ARG 55 2HG ARG 55 -12.259 -7.385 -4.768 317 HG3 ARG 55 1HG ARG 55 -11.984 -8.148 -6.333 318 HD2 ARG 55 2HD ARG 55 -10.343 -9.622 -5.380 319 HD3 ARG 55 1HD ARG 55 -10.407 -8.763 -3.838 320 HE ARG 55 HE ARG 55 -12.953 -9.530 -4.273 321 HH11 ARG 55 1HH1 ARG 55 -9.946 -11.376 -4.306 322 HH12 ARG 55 2HH1 ARG 55 -10.599 -12.748 -3.559 323 HH21 ARG 55 1HH2 ARG 55 -13.849 -11.389 -3.168 324 HH22 ARG 55 2HH2 ARG 55 -12.873 -12.744 -2.851 325 H GLU 56 H GLU 56 -9.967 -3.737 -4.719 326 HA GLU 56 HA GLU 56 -7.613 -3.129 -6.118 327 HB2 GLU 56 2HB GLU 56 -9.611 -1.682 -6.112 328 HB3 GLU 56 1HB GLU 56 -9.347 -1.320 -4.417 329 HG2 GLU 56 2HG GLU 56 -7.255 -0.267 -4.937 330 HG3 GLU 56 1HG GLU 56 -7.459 -0.669 -6.648 331 H LEU 57 H LEU 57 -8.431 -3.085 -2.648 332 HA LEU 57 HA LEU 57 -5.817 -2.120 -2.061 333 HB2 LEU 57 2HB LEU 57 -6.240 -2.517 0.312 334 HB3 LEU 57 1HB LEU 57 -7.536 -1.626 -0.412 335 HG LEU 57 HG LEU 57 -8.726 -3.948 -0.490 336 HD11 LEU 57 1HD1 LEU 57 -6.801 -5.270 0.127 337 HD12 LEU 57 2HD1 LEU 57 -8.079 -5.431 1.335 338 HD13 LEU 57 3HD1 LEU 57 -6.671 -4.409 1.658 339 HD21 LEU 57 3HD2 LEU 57 -9.471 -2.053 0.826 340 HD22 LEU 57 1HD2 LEU 57 -8.280 -2.429 2.072 341 HD23 LEU 57 2HD2 LEU 57 -9.608 -3.544 1.754 342 H THR 58 H THR 58 -7.211 -5.229 -2.464 343 HA THR 58 HA THR 58 -5.190 -6.746 -1.311 344 HB THR 58 HB THR 58 -6.870 -7.508 -3.722 345 HG1 THR 58 1HG THR 58 -7.617 -6.888 -1.254 346 HG21 THR 58 3HG2 THR 58 -5.022 -9.065 -3.258 347 HG22 THR 58 1HG2 THR 58 -6.589 -9.796 -2.903 348 HG23 THR 58 2HG2 THR 58 -5.572 -9.208 -1.589 349 H VAL 59 H VAL 59 -5.621 -5.617 -4.636 350 HA VAL 59 HA VAL 59 -3.155 -6.646 -5.518 351 HB VAL 59 HB VAL 59 -5.033 -6.073 -7.077 352 HG11 VAL 59 1HG1 VAL 59 -5.751 -3.975 -6.251 353 HG12 VAL 59 2HG1 VAL 59 -5.291 -3.813 -7.948 354 HG13 VAL 59 3HG1 VAL 59 -4.217 -3.225 -6.677 355 HG21 VAL 59 3HG2 VAL 59 -2.851 -6.522 -7.985 356 HG22 VAL 59 1HG2 VAL 59 -2.390 -4.836 -7.761 357 HG23 VAL 59 2HG2 VAL 59 -3.647 -5.260 -8.927 358 H SER 60 H SER 60 -4.072 -3.554 -4.112 359 HA SER 60 HA SER 60 -1.619 -2.265 -4.369 360 HB2 SER 60 2HB SER 60 -3.650 -1.959 -2.144 361 HB3 SER 60 1HB SER 60 -2.343 -0.824 -2.496 362 HG SER 60 HG SER 60 -4.639 -1.406 -4.049 363 H GLU 61 H GLU 61 -2.571 -4.662 -2.388 364 HA GLU 61 HA GLU 61 -0.497 -4.465 -0.339 365 HB2 GLU 61 2HB GLU 61 -2.037 -6.949 -1.140 366 HB3 GLU 61 1HB GLU 61 -0.989 -6.824 0.258 367 HG2 GLU 61 2HG GLU 61 -2.516 -5.197 1.243 368 HG3 GLU 61 1HG GLU 61 -3.555 -5.319 -0.180 369 H ALA 62 H ALA 62 -1.037 -6.159 -3.286 370 HA ALA 62 HA ALA 62 1.342 -7.674 -3.311 371 HB1 ALA 62 1HB ALA 62 -0.256 -6.765 -5.695 372 HB2 ALA 62 2HB ALA 62 -0.600 -8.199 -4.731 373 HB3 ALA 62 3HB ALA 62 0.901 -8.097 -5.652 374 H PHE 63 H PHE 63 0.638 -4.397 -4.393 375 HA PHE 63 HA PHE 63 3.162 -4.041 -5.705 376 HB2 PHE 63 2HB PHE 63 1.819 -1.722 -4.314 377 HB3 PHE 63 1HB PHE 63 2.798 -1.698 -5.770 378 HD1 PHE 63 2HD PHE 63 1.433 -3.862 -7.313 379 HD2 PHE 63 1HD PHE 63 -0.071 -0.694 -4.939 380 HE1 PHE 63 2HE PHE 63 -0.704 -3.986 -8.498 381 HE2 PHE 63 1HE PHE 63 -2.203 -0.813 -6.104 382 HZ PHE 63 HZ PHE 63 -2.564 -2.469 -7.776 383 H ILE 64 H ILE 64 2.031 -3.404 -2.426 384 HA ILE 64 HA ILE 64 4.436 -2.379 -1.419 385 HB ILE 64 HB ILE 64 2.155 -3.800 -0.045 386 HG12 ILE 64 2HG1 ILE 64 1.796 -1.491 -0.867 387 HG13 ILE 64 1HG1 ILE 64 1.646 -1.638 0.879 388 HG21 ILE 64 1HG2 ILE 64 4.123 -4.365 1.258 389 HG22 ILE 64 2HG2 ILE 64 3.124 -3.204 2.138 390 HG23 ILE 64 3HG2 ILE 64 4.592 -2.666 1.323 391 HD11 ILE 64 3HD1 ILE 64 2.845 0.408 0.313 392 HD12 ILE 64 1HD1 ILE 64 4.035 -0.509 -0.609 393 HD13 ILE 64 2HD1 ILE 64 3.933 -0.701 1.129 394 H GLU 65 H GLU 65 3.292 -5.719 -1.422 395 HA GLU 65 HA GLU 65 5.639 -6.692 -0.207 396 HB2 GLU 65 2HB GLU 65 3.581 -8.118 -1.879 397 HB3 GLU 65 1HB GLU 65 4.888 -8.955 -1.060 398 HG2 GLU 65 2HG GLU 65 4.036 -7.881 1.080 399 HG3 GLU 65 1HG GLU 65 2.614 -7.413 0.153 400 H GLY 66 H GLY 66 4.850 -6.097 -3.533 401 HA2 GLY 66 2HA GLY 66 7.133 -7.404 -4.625 402 HA3 GLY 66 1HA GLY 66 6.090 -6.252 -5.453 403 H SER 67 H SER 67 6.414 -4.058 -3.705 404 HA SER 67 HA SER 67 8.840 -3.071 -4.719 405 HB2 SER 67 2HB SER 67 8.194 -1.017 -3.389 406 HB3 SER 67 1HB SER 67 7.030 -1.543 -4.606 407 HG SER 67 HG SER 67 5.699 -2.200 -3.116 408 H ARG 68 H ARG 68 7.767 -4.299 -1.635 409 HA ARG 68 HA ARG 68 10.078 -3.536 -0.270 410 HB2 ARG 68 2HB ARG 68 8.221 -5.862 0.291 411 HB3 ARG 68 1HB ARG 68 9.551 -5.429 1.352 412 HG2 ARG 68 2HG ARG 68 8.534 -3.289 1.817 413 HG3 ARG 68 1HG ARG 68 7.252 -3.616 0.652 414 HD2 ARG 68 2HD ARG 68 6.428 -4.020 2.885 415 HD3 ARG 68 1HD ARG 68 6.544 -5.545 2.018 416 HE ARG 68 HE ARG 68 8.913 -5.296 3.394 417 HH11 ARG 68 1HH1 ARG 68 5.475 -5.622 4.194 418 HH12 ARG 68 2HH1 ARG 68 5.765 -6.138 5.798 419 HH21 ARG 68 1HH2 ARG 68 9.282 -6.044 5.592 420 HH22 ARG 68 2HH2 ARG 68 7.967 -6.437 6.585 421 H GLY 69 H GLY 69 9.317 -6.449 -2.037 422 HA2 GLY 69 2HA GLY 69 11.837 -7.658 -1.716 423 HA3 GLY 69 1HA GLY 69 10.697 -7.950 -3.029 424 H TYR 70 H TYR 70 10.732 -5.045 -3.573 425 HA TYR 70 HA TYR 70 12.693 -5.134 -5.673 426 HB2 TYR 70 2HB TYR 70 10.558 -3.979 -6.052 427 HB3 TYR 70 1HB TYR 70 10.877 -2.932 -4.687 428 HD1 TYR 70 2HD TYR 70 12.377 -1.019 -4.894 429 HD2 TYR 70 1HD TYR 70 11.653 -3.604 -8.207 430 HE1 TYR 70 2HE TYR 70 13.291 0.660 -6.393 431 HE2 TYR 70 1HE TYR 70 12.579 -1.897 -9.722 432 HH TYR 70 HH TYR 70 14.319 0.781 -8.592 433 H PHE 71 H PHE 71 12.179 -3.191 -2.794 434 HA PHE 71 HA PHE 71 14.583 -1.840 -3.042 435 HB2 PHE 71 2HB PHE 71 12.817 -2.165 -0.620 436 HB3 PHE 71 1HB PHE 71 14.244 -1.129 -0.662 437 HD1 PHE 71 1HD PHE 71 14.241 0.283 -3.061 438 HD2 PHE 71 2HD PHE 71 10.869 -0.941 -0.777 439 HE1 PHE 71 1HE PHE 71 12.923 2.100 -4.048 440 HE2 PHE 71 2HE PHE 71 9.552 0.875 -1.767 441 HZ PHE 71 HZ PHE 71 10.566 2.392 -3.401 442 H GLN 72 H GLN 72 13.807 -4.771 -1.272 443 HA GLN 72 HA GLN 72 16.325 -5.072 -0.063 444 HB2 GLN 72 2HB GLN 72 14.489 -7.279 -1.045 445 HB3 GLN 72 1HB GLN 72 15.811 -7.485 0.095 446 HG2 GLN 72 2HG GLN 72 14.654 -5.965 1.663 447 HG3 GLN 72 1HG GLN 72 13.313 -5.862 0.534 448 HE21 GLN 72 1HE2 GLN 72 13.636 -8.786 -0.127 449 HE22 GLN 72 2HE2 GLN 72 12.935 -9.603 1.208 450 H ARG 73 H ARG 73 15.195 -5.928 -3.312 451 HA ARG 73 HA ARG 73 17.682 -7.062 -4.096 452 HB2 ARG 73 2HB ARG 73 15.206 -6.283 -5.549 453 HB3 ARG 73 1HB ARG 73 16.681 -6.486 -6.483 454 HG2 ARG 73 2HG ARG 73 15.263 -8.470 -6.424 455 HG3 ARG 73 1HG ARG 73 16.892 -8.750 -5.766 456 HD2 ARG 73 2HD ARG 73 15.965 -8.585 -3.506 457 HD3 ARG 73 1HD ARG 73 14.371 -8.277 -4.175 458 HE ARG 73 HE ARG 73 15.823 -10.801 -4.589 459 HH11 ARG 73 1HH1 ARG 73 12.824 -9.050 -3.873 460 HH12 ARG 73 2HH1 ARG 73 11.908 -10.437 -3.486 461 HH21 ARG 73 1HH2 ARG 73 14.552 -12.741 -4.040 462 HH22 ARG 73 2HH2 ARG 73 12.916 -12.576 -3.608 463 H GLU 74 H GLU 74 16.390 -3.889 -4.181 464 HA GLU 74 HA GLU 74 18.417 -2.642 -5.724 465 HB2 GLU 74 2HB GLU 74 16.795 -1.438 -3.471 466 HB3 GLU 74 1HB GLU 74 17.813 -0.519 -4.563 467 HG2 GLU 74 2HG GLU 74 15.411 -2.141 -5.352 468 HG3 GLU 74 1HG GLU 74 15.464 -0.388 -5.175 469 H LEU 75 H LEU 75 18.293 -3.564 -2.413 470 HA LEU 75 HA LEU 75 20.585 -2.291 -1.438 471 HB2 LEU 75 2HB LEU 75 18.862 -3.445 -0.079 472 HB3 LEU 75 1HB LEU 75 19.427 -4.981 -0.687 473 HG LEU 75 HG LEU 75 21.625 -4.527 0.444 474 HD11 LEU 75 1HD1 LEU 75 21.694 -2.827 2.173 475 HD12 LEU 75 2HD1 LEU 75 20.101 -2.255 1.673 476 HD13 LEU 75 3HD1 LEU 75 21.471 -2.121 0.573 477 HD21 LEU 75 3HD2 LEU 75 19.185 -4.556 2.206 478 HD22 LEU 75 1HD2 LEU 75 20.814 -5.040 2.675 479 HD23 LEU 75 2HD2 LEU 75 19.937 -5.970 1.458 480 H LYS 76 H LYS 76 20.224 -4.888 -3.666 481 HA LYS 76 HA LYS 76 22.858 -6.030 -3.233 482 HB2 LYS 76 2HB LYS 76 20.741 -6.670 -5.289 483 HB3 LYS 76 1HB LYS 76 22.261 -7.527 -5.102 484 HG2 LYS 76 2HG LYS 76 21.600 -8.279 -2.897 485 HG3 LYS 76 1HG LYS 76 20.105 -7.349 -3.003 486 HD2 LYS 76 2HD LYS 76 19.681 -9.708 -3.499 487 HD3 LYS 76 1HD LYS 76 19.403 -8.712 -4.929 488 HE2 LYS 76 2HE LYS 76 21.604 -9.352 -5.798 489 HE3 LYS 76 1HE LYS 76 21.893 -10.331 -4.362 490 HZ1 LYS 76 3HZ LYS 76 19.734 -10.758 -6.353 491 HZ2 LYS 76 1HZ LYS 76 20.016 -11.721 -5.002 492 HZ3 LYS 76 2HZ LYS 76 21.154 -11.664 -6.230 493 H ARG 77 H ARG 77 21.677 -3.396 -4.886 494 HA ARG 77 HA ARG 77 23.171 -3.546 -7.335 495 HB2 ARG 77 2HB ARG 77 21.902 -1.210 -5.915 496 HB3 ARG 77 1HB ARG 77 22.671 -1.093 -7.489 497 HG2 ARG 77 2HG ARG 77 21.036 -2.550 -8.448 498 HG3 ARG 77 1HG ARG 77 20.350 -2.885 -6.855 499 HD2 ARG 77 2HD ARG 77 18.984 -1.280 -8.076 500 HD3 ARG 77 1HD ARG 77 19.686 -0.549 -6.642 501 HE ARG 77 HE ARG 77 21.434 0.090 -8.617 502 HH11 ARG 77 1HH1 ARG 77 17.895 0.616 -8.143 503 HH12 ARG 77 2HH1 ARG 77 17.895 1.991 -9.140 504 HH21 ARG 77 1HH2 ARG 77 21.272 1.978 -9.995 505 HH22 ARG 77 2HH2 ARG 77 19.751 2.737 -10.221 506 H THR 78 H THR 78 23.751 -2.312 -4.157 507 HA THR 78 HA THR 78 25.564 -1.569 -3.060 508 HB THR 78 HB THR 78 27.219 -2.147 -5.550 509 HG1 THR 78 1HG THR 78 27.447 -4.067 -3.745 510 HG21 THR 78 3HG2 THR 78 29.040 -2.517 -3.917 511 HG22 THR 78 1HG2 THR 78 27.937 -2.113 -2.603 512 HG23 THR 78 2HG2 THR 78 28.389 -0.883 -3.782 513 H ASP 79 H ASP 79 24.338 -0.156 -5.765 514 HA ASP 79 HA ASP 79 25.900 2.168 -6.179 515 HB2 ASP 79 2HB ASP 79 22.929 1.729 -6.573 516 HB3 ASP 79 1HB ASP 79 23.781 3.173 -7.090 517 H LEU 80 H LEU 80 23.325 1.402 -3.979 518 HA LEU 80 HA LEU 80 22.797 3.832 -2.708 519 HB2 LEU 80 2HB LEU 80 22.015 2.461 -0.937 520 HB3 LEU 80 1HB LEU 80 21.452 1.755 -2.461 521 HG LEU 80 HG LEU 80 23.976 0.755 -1.315 522 HD11 LEU 80 1HD1 LEU 80 21.312 0.113 -0.039 523 HD12 LEU 80 2HD1 LEU 80 22.629 1.032 0.678 524 HD13 LEU 80 3HD1 LEU 80 22.857 -0.672 0.301 525 HD21 LEU 80 3HD2 LEU 80 21.553 -0.582 -2.523 526 HD22 LEU 80 1HD2 LEU 80 23.009 -1.420 -1.995 527 HD23 LEU 80 2HD2 LEU 80 23.097 -0.269 -3.319 528 H ASP 81 H ASP 81 23.267 4.200 -0.763 529 HA ASP 81 HA ASP 81 25.741 3.238 0.456 530 HB2 ASP 81 2HB ASP 81 25.867 5.671 -0.575 531 HB3 ASP 81 1HB ASP 81 24.822 6.100 0.775 532 H LEU 82 H LEU 82 25.274 4.688 2.902 533 HA LEU 82 HA LEU 82 23.273 2.996 3.917 534 HB2 LEU 82 2HB LEU 82 23.552 4.104 6.088 535 HB3 LEU 82 1HB LEU 82 25.077 3.651 5.388 536 HG LEU 82 HG LEU 82 25.281 6.136 4.701 537 HD11 LEU 82 1HD1 LEU 82 22.964 6.786 5.117 538 HD12 LEU 82 2HD1 LEU 82 24.084 7.718 6.111 539 HD13 LEU 82 3HD1 LEU 82 23.158 6.403 6.828 540 HD21 LEU 82 3HD2 LEU 82 26.617 5.070 6.423 541 HD22 LEU 82 1HD2 LEU 82 25.327 5.335 7.596 542 HD23 LEU 82 2HD2 LEU 82 26.174 6.712 6.886 543 H LEU 83 H LEU 83 23.153 6.141 2.594 544 HA LEU 83 HA LEU 83 20.739 7.087 3.701 545 HB2 LEU 83 2HB LEU 83 21.955 7.572 1.010 546 HB3 LEU 83 1HB LEU 83 20.576 8.451 1.604 547 HG LEU 83 HG LEU 83 22.425 9.883 1.834 548 HD11 LEU 83 1HD1 LEU 83 22.612 10.292 4.220 549 HD12 LEU 83 2HD1 LEU 83 21.872 8.726 4.540 550 HD13 LEU 83 3HD1 LEU 83 20.957 9.981 3.701 551 HD21 LEU 83 3HD2 LEU 83 24.222 8.251 1.628 552 HD22 LEU 83 1HD2 LEU 83 23.920 7.692 3.271 553 HD23 LEU 83 2HD2 LEU 83 24.504 9.332 2.989 554 H GLU 84 H GLU 84 21.305 5.385 0.648 555 HA GLU 84 HA GLU 84 18.513 5.257 0.200 556 HB2 GLU 84 2HB GLU 84 20.672 3.683 -1.163 557 HB3 GLU 84 1HB GLU 84 18.984 3.692 -1.656 558 HG2 GLU 84 2HG GLU 84 20.799 6.054 -1.544 559 HG3 GLU 84 1HG GLU 84 20.398 5.151 -3.001 560 H LYS 85 H LYS 85 20.826 3.096 1.656 561 HA LYS 85 HA LYS 85 19.260 0.805 1.957 562 HB2 LYS 85 2HB LYS 85 21.676 1.014 2.619 563 HB3 LYS 85 1HB LYS 85 21.167 1.982 3.994 564 HG2 LYS 85 2HG LYS 85 19.907 0.067 4.874 565 HG3 LYS 85 1HG LYS 85 20.433 -0.907 3.499 566 HD2 LYS 85 2HD LYS 85 21.874 -1.474 5.283 567 HD3 LYS 85 1HD LYS 85 22.809 -0.404 4.240 568 HE2 LYS 85 2HE LYS 85 23.226 0.266 6.483 569 HE3 LYS 85 1HE LYS 85 22.169 1.483 5.784 570 HZ1 LYS 85 3HZ LYS 85 21.302 -0.743 7.548 571 HZ2 LYS 85 1HZ LYS 85 20.264 0.431 6.943 572 HZ3 LYS 85 2HZ LYS 85 21.474 0.833 8.033 573 H PHE 86 H PHE 86 19.532 3.757 3.841 574 HA PHE 86 HA PHE 86 17.817 3.080 5.825 575 HB2 PHE 86 2HB PHE 86 19.285 4.937 6.147 576 HB3 PHE 86 1HB PHE 86 18.620 5.785 4.761 577 HD1 PHE 86 1HD PHE 86 17.796 4.599 8.165 578 HD2 PHE 86 2HD PHE 86 16.871 7.301 5.019 579 HE1 PHE 86 1HE PHE 86 16.232 5.781 9.645 580 HE2 PHE 86 2HE PHE 86 15.310 8.490 6.492 581 HZ PHE 86 HZ PHE 86 14.986 7.733 8.803 582 H ASN 87 H ASN 87 17.238 4.280 2.683 583 HA ASN 87 HA ASN 87 14.517 5.110 3.025 584 HB2 ASN 87 2HB ASN 87 16.290 4.782 0.613 585 HB3 ASN 87 1HB ASN 87 14.556 4.968 0.409 586 HD21 ASN 87 1HD2 ASN 87 17.497 6.548 1.455 587 HD22 ASN 87 2HD2 ASN 87 16.883 8.140 1.402 588 H PHE 88 H PHE 88 16.204 2.243 1.953 589 HA PHE 88 HA PHE 88 13.869 0.849 1.082 590 HB2 PHE 88 2HB PHE 88 16.397 -0.426 2.139 591 HB3 PHE 88 1HB PHE 88 15.227 -1.169 1.066 592 HD1 PHE 88 2HD PHE 88 14.952 1.314 -0.761 593 HD2 PHE 88 1HD PHE 88 18.281 -0.800 0.826 594 HE1 PHE 88 2HE PHE 88 16.342 2.118 -2.605 595 HE2 PHE 88 1HE PHE 88 19.667 0.016 -1.026 596 HZ PHE 88 HZ PHE 88 18.700 1.492 -2.698 597 H GLU 89 H GLU 89 15.762 0.928 4.013 598 HA GLU 89 HA GLU 89 14.176 -0.893 5.432 599 HB2 GLU 89 2HB GLU 89 15.940 1.341 6.432 600 HB3 GLU 89 1HB GLU 89 15.305 0.034 7.421 601 HG2 GLU 89 2HG GLU 89 16.527 -1.582 6.033 602 HG3 GLU 89 1HG GLU 89 17.191 -0.242 5.102 603 H ALA 90 H ALA 90 14.052 2.529 4.779 604 HA ALA 90 HA ALA 90 12.077 3.060 6.751 605 HB1 ALA 90 1HB ALA 90 13.395 4.899 5.775 606 HB2 ALA 90 2HB ALA 90 11.669 5.197 5.592 607 HB3 ALA 90 3HB ALA 90 12.616 4.627 4.218 608 H ALA 91 H ALA 91 11.991 2.290 3.348 609 HA ALA 91 HA ALA 91 9.214 2.421 2.980 610 HB1 ALA 91 1HB ALA 91 11.190 0.732 1.487 611 HB2 ALA 91 2HB ALA 91 10.904 2.441 1.213 612 HB3 ALA 91 3HB ALA 91 9.605 1.276 0.916 613 H LEU 92 H LEU 92 11.337 -0.262 3.823 614 HA LEU 92 HA LEU 92 9.373 -2.268 3.726 615 HB2 LEU 92 2HB LEU 92 11.697 -2.158 5.661 616 HB3 LEU 92 1HB LEU 92 10.793 -3.587 5.228 617 HG LEU 92 HG LEU 92 12.663 -2.032 3.450 618 HD11 LEU 92 1HD1 LEU 92 13.806 -3.350 5.119 619 HD12 LEU 92 2HD1 LEU 92 14.030 -4.045 3.514 620 HD13 LEU 92 3HD1 LEU 92 12.893 -4.780 4.641 621 HD21 LEU 92 3HD2 LEU 92 11.039 -4.499 2.843 622 HD22 LEU 92 1HD2 LEU 92 12.311 -3.837 1.814 623 HD23 LEU 92 2HD2 LEU 92 10.847 -2.903 2.117 624 H ALA 93 H ALA 93 10.240 -0.055 6.286 625 HA ALA 93 HA ALA 93 8.424 -1.231 8.123 626 HB1 ALA 93 1HB ALA 93 8.905 0.675 9.558 627 HB2 ALA 93 2HB ALA 93 9.691 1.505 8.216 628 HB3 ALA 93 3HB ALA 93 10.402 0.034 8.881 629 H THR 94 H THR 94 8.227 1.301 5.739 630 HA THR 94 HA THR 94 5.868 2.421 6.742 631 HB THR 94 HB THR 94 7.090 2.593 3.973 632 HG1 THR 94 1HG THR 94 8.378 3.413 5.686 633 HG21 THR 94 3HG2 THR 94 5.730 4.653 3.723 634 HG22 THR 94 1HG2 THR 94 4.964 4.317 5.276 635 HG23 THR 94 2HG2 THR 94 4.716 3.223 3.915 636 H GLY 95 H GLY 95 6.697 0.079 4.257 637 HA2 GLY 95 2HA GLY 95 4.106 -0.221 3.223 638 HA3 GLY 95 1HA GLY 95 5.470 -1.305 2.980 639 H ASP 96 H ASP 96 5.902 -1.813 5.772 640 HA ASP 96 HA ASP 96 4.090 -3.986 5.946 641 HB2 ASP 96 2HB ASP 96 6.464 -4.022 6.763 642 HB3 ASP 96 1HB ASP 96 5.926 -3.062 8.144 643 H LEU 97 H LEU 97 4.374 -0.948 7.718 644 HA LEU 97 HA LEU 97 2.394 -1.621 9.650 645 HB2 LEU 97 2HB LEU 97 2.486 0.629 10.408 646 HB3 LEU 97 1HB LEU 97 4.110 0.219 9.909 647 HG LEU 97 HG LEU 97 3.142 1.378 7.650 648 HD11 LEU 97 1HD1 LEU 97 1.879 2.885 9.921 649 HD12 LEU 97 2HD1 LEU 97 1.042 2.022 8.629 650 HD13 LEU 97 3HD1 LEU 97 2.008 3.448 8.252 651 HD21 LEU 97 3HD2 LEU 97 4.422 3.297 8.248 652 HD22 LEU 97 1HD2 LEU 97 5.229 1.787 8.664 653 HD23 LEU 97 2HD2 LEU 97 4.471 2.761 9.950 654 H LEU 98 H LEU 98 2.259 0.184 6.618 655 HA LEU 98 HA LEU 98 -0.505 0.655 6.884 656 HB2 LEU 98 2HB LEU 98 -0.476 1.632 4.709 657 HB3 LEU 98 1HB LEU 98 1.001 2.104 5.516 658 HG LEU 98 HG LEU 98 1.904 0.017 4.280 659 HD11 LEU 98 1HD1 LEU 98 -0.356 0.898 2.490 660 HD12 LEU 98 2HD1 LEU 98 -0.108 -0.702 3.197 661 HD13 LEU 98 3HD1 LEU 98 0.992 -0.099 1.953 662 HD21 LEU 98 3HD2 LEU 98 2.838 2.233 4.048 663 HD22 LEU 98 1HD2 LEU 98 1.523 2.717 2.982 664 HD23 LEU 98 2HD2 LEU 98 2.696 1.511 2.445 665 H LEU 99 H LEU 99 1.386 -2.004 5.756 666 HA LEU 99 HA LEU 99 -0.545 -3.022 4.080 667 HB2 LEU 99 2HB LEU 99 1.940 -3.666 4.199 668 HB3 LEU 99 1HB LEU 99 1.515 -4.695 5.540 669 HG LEU 99 HG LEU 99 0.430 -5.048 2.731 670 HD11 LEU 99 1HD1 LEU 99 2.723 -6.430 4.106 671 HD12 LEU 99 2HD1 LEU 99 2.826 -5.340 2.725 672 HD13 LEU 99 3HD1 LEU 99 2.021 -6.902 2.558 673 HD21 LEU 99 3HD2 LEU 99 -0.152 -7.289 3.488 674 HD22 LEU 99 1HD2 LEU 99 -0.955 -6.069 4.475 675 HD23 LEU 99 2HD2 LEU 99 0.459 -6.918 5.101 676 H LYS 100 H LYS 100 0.293 -3.397 7.474 677 HA LYS 100 HA LYS 100 -1.705 -5.240 8.136 678 HB2 LYS 100 2HB LYS 100 -0.022 -3.347 9.709 679 HB3 LYS 100 1HB LYS 100 -1.501 -3.904 10.455 680 HG2 LYS 100 2HG LYS 100 0.243 -5.272 11.262 681 HG3 LYS 100 1HG LYS 100 -0.683 -6.248 10.137 682 HD2 LYS 100 2HD LYS 100 1.030 -6.009 8.457 683 HD3 LYS 100 1HD LYS 100 1.921 -4.866 9.469 684 HE2 LYS 100 2HE LYS 100 2.142 -6.637 11.201 685 HE3 LYS 100 1HE LYS 100 1.354 -7.762 10.106 686 HZ1 LYS 100 3HZ LYS 100 3.790 -7.918 10.144 687 HZ2 LYS 100 1HZ LYS 100 3.905 -6.359 9.515 688 HZ3 LYS 100 2HZ LYS 100 3.193 -7.592 8.603 689 H ASP 101 H ASP 101 -1.585 -1.796 7.674 690 HA ASP 101 HA ASP 101 -4.031 -1.271 8.999 691 HB2 ASP 101 2HB ASP 101 -2.292 0.459 8.755 692 HB3 ASP 101 1HB ASP 101 -2.535 0.435 7.010 693 H LEU 102 H LEU 102 -3.075 -1.892 5.700 694 HA LEU 102 HA LEU 102 -5.460 -1.394 4.331 695 HB2 LEU 102 2HB LEU 102 -3.337 -3.471 3.772 696 HB3 LEU 102 1HB LEU 102 -4.644 -3.087 2.683 697 HG LEU 102 HG LEU 102 -2.442 -1.185 3.506 698 HD11 LEU 102 1HD1 LEU 102 -1.628 -3.017 2.114 699 HD12 LEU 102 2HD1 LEU 102 -1.626 -1.495 1.223 700 HD13 LEU 102 3HD1 LEU 102 -2.893 -2.687 0.928 701 HD21 LEU 102 3HD2 LEU 102 -3.305 0.226 1.695 702 HD22 LEU 102 1HD2 LEU 102 -4.524 -0.016 2.949 703 HD23 LEU 102 2HD2 LEU 102 -4.617 -0.916 1.432 704 H LYS 103 H LYS 103 -4.224 -4.365 5.835 705 HA LYS 103 HA LYS 103 -6.498 -5.883 5.193 706 HB2 LYS 103 2HB LYS 103 -4.461 -6.291 7.376 707 HB3 LYS 103 1HB LYS 103 -5.672 -7.469 6.910 708 HG2 LYS 103 2HG LYS 103 -4.671 -7.493 4.623 709 HG3 LYS 103 1HG LYS 103 -3.385 -6.450 5.234 710 HD2 LYS 103 2HD LYS 103 -2.840 -8.138 6.919 711 HD3 LYS 103 1HD LYS 103 -4.086 -9.202 6.261 712 HE2 LYS 103 2HE LYS 103 -1.568 -8.254 4.869 713 HE3 LYS 103 1HE LYS 103 -1.905 -9.885 5.430 714 HZ1 LYS 103 3HZ LYS 103 -3.755 -9.958 3.768 715 HZ2 LYS 103 1HZ LYS 103 -2.248 -9.724 3.044 716 HZ3 LYS 103 2HZ LYS 103 -3.263 -8.435 3.227 717 H ALA 104 H ALA 104 -5.752 -3.800 7.914 718 HA ALA 104 HA ALA 104 -7.874 -4.672 9.585 719 HB1 ALA 104 1HB ALA 104 -7.353 -2.649 10.888 720 HB2 ALA 104 2HB ALA 104 -6.321 -2.080 9.578 721 HB3 ALA 104 3HB ALA 104 -5.888 -3.535 10.469 722 H LEU 105 H LEU 105 -7.426 -2.042 7.279 723 HA LEU 105 HA LEU 105 -9.964 -0.984 7.807 724 HB2 LEU 105 2HB LEU 105 -9.573 0.661 6.195 725 HB3 LEU 105 1HB LEU 105 -7.958 0.263 6.719 726 HG LEU 105 HG LEU 105 -8.202 -1.379 4.604 727 HD11 LEU 105 1HD1 LEU 105 -9.232 -0.172 2.746 728 HD12 LEU 105 2HD1 LEU 105 -9.849 1.023 3.884 729 HD13 LEU 105 3HD1 LEU 105 -10.391 -0.653 3.986 730 HD21 LEU 105 3HD2 LEU 105 -7.391 1.524 4.453 731 HD22 LEU 105 1HD2 LEU 105 -6.862 0.247 3.364 732 HD23 LEU 105 2HD2 LEU 105 -6.370 0.232 5.066 733 H GLN 106 H GLN 106 -8.657 -3.366 5.633 734 HA GLN 106 HA GLN 106 -10.832 -3.651 3.909 735 HB2 GLN 106 2HB GLN 106 -8.651 -4.699 3.490 736 HB3 GLN 106 1HB GLN 106 -8.881 -5.730 4.889 737 HG2 GLN 106 2HG GLN 106 -10.843 -6.724 3.801 738 HG3 GLN 106 1HG GLN 106 -10.522 -5.733 2.376 739 HE21 GLN 106 1HE2 GLN 106 -10.245 -7.583 1.096 740 HE22 GLN 106 2HE2 GLN 106 -8.823 -8.534 1.214 741 H LYS 107 H LYS 107 -10.184 -5.217 7.000 742 HA LYS 107 HA LYS 107 -12.599 -6.737 6.948 743 HB2 LYS 107 2HB LYS 107 -10.715 -5.910 9.117 744 HB3 LYS 107 1HB LYS 107 -12.313 -6.427 9.589 745 HG2 LYS 107 2HG LYS 107 -10.802 -8.252 9.842 746 HG3 LYS 107 1HG LYS 107 -11.877 -8.607 8.501 747 HD2 LYS 107 2HD LYS 107 -9.146 -7.453 8.040 748 HD3 LYS 107 1HD LYS 107 -9.355 -9.172 8.350 749 HE2 LYS 107 2HE LYS 107 -10.901 -9.277 6.405 750 HE3 LYS 107 1HE LYS 107 -10.554 -7.577 6.089 751 HZ1 LYS 107 3HZ LYS 107 -9.173 -9.089 4.732 752 HZ2 LYS 107 1HZ LYS 107 -8.540 -9.747 6.140 753 HZ3 LYS 107 2HZ LYS 107 -8.219 -8.154 5.765 754 H ARG 108 H ARG 108 -11.847 -3.525 7.947 755 HA ARG 108 HA ARG 108 -14.329 -2.995 9.224 756 HB2 ARG 108 2HB ARG 108 -12.332 -1.701 9.778 757 HB3 ARG 108 1HB ARG 108 -12.262 -1.099 8.128 758 HG2 ARG 108 2HG ARG 108 -14.419 0.012 8.447 759 HG3 ARG 108 1HG ARG 108 -14.454 -0.564 10.112 760 HD2 ARG 108 2HD ARG 108 -12.489 0.695 10.644 761 HD3 ARG 108 1HD ARG 108 -12.288 1.166 8.956 762 HE ARG 108 HE ARG 108 -14.809 1.884 10.100 763 HH11 ARG 108 1HH1 ARG 108 -11.434 2.914 9.693 764 HH12 ARG 108 2HH1 ARG 108 -11.784 4.575 9.779 765 HH21 ARG 108 1HH2 ARG 108 -15.293 4.179 10.160 766 HH22 ARG 108 2HH2 ARG 108 -14.026 5.308 10.032 767 H VAL 109 H VAL 109 -13.057 -2.344 6.009 768 HA VAL 109 HA VAL 109 -15.427 -1.129 5.209 769 HB VAL 109 HB VAL 109 -13.180 -2.263 3.523 770 HG11 VAL 109 1HG1 VAL 109 -15.254 -2.193 2.198 771 HG12 VAL 109 2HG1 VAL 109 -14.102 -0.979 1.645 772 HG13 VAL 109 3HG1 VAL 109 -15.478 -0.499 2.642 773 HG21 VAL 109 3HG2 VAL 109 -12.546 -0.393 4.930 774 HG22 VAL 109 1HG2 VAL 109 -13.890 0.561 4.303 775 HG23 VAL 109 2HG2 VAL 109 -12.565 0.092 3.236 776 H GLN 110 H GLN 110 -14.188 -4.393 5.012 777 HA GLN 110 HA GLN 110 -16.064 -5.619 3.397 778 HB2 GLN 110 2HB GLN 110 -13.969 -6.633 4.122 779 HB3 GLN 110 1HB GLN 110 -14.529 -6.630 5.779 780 HG2 GLN 110 2HG GLN 110 -14.632 -8.798 4.873 781 HG3 GLN 110 1HG GLN 110 -16.265 -8.206 5.196 782 HE21 GLN 110 1HE2 GLN 110 -13.951 -9.034 2.732 783 HE22 GLN 110 2HE2 GLN 110 -15.050 -9.103 1.412 784 H ASP 111 H ASP 111 -15.924 -5.096 6.885 785 HA ASP 111 HA ASP 111 -18.337 -6.413 7.290 786 HB2 ASP 111 2HB ASP 111 -16.587 -6.297 9.011 787 HB3 ASP 111 1HB ASP 111 -16.836 -4.564 9.148 788 H SER 112 H SER 112 -17.275 -3.087 7.458 789 HA SER 112 HA SER 112 -18.073 -1.089 7.447 790 HB2 SER 112 2HB SER 112 -19.663 -0.572 5.520 791 HB3 SER 112 1HB SER 112 -18.099 -1.296 5.156 792 HG SER 112 HG SER 112 -19.303 -3.344 5.288 793 H GLU 113 H GLU 113 -20.821 -3.149 7.690 794 HA GLU 113 HA GLU 113 -22.290 -0.921 8.911 795 HB2 GLU 113 2HB GLU 113 -23.436 -3.404 7.633 796 HB3 GLU 113 1HB GLU 113 -24.307 -1.962 8.130 797 HG2 GLU 113 2HG GLU 113 -23.309 -0.644 6.426 798 HG3 GLU 113 1HG GLU 113 -22.161 -1.918 6.031 Start of MODEL 3 1 H1 ASN 18 1HT ASN 18 12.157 9.923 3.804 2 H2 ASN 18 2HT ASN 18 12.325 11.375 4.611 3 H3 ASN 18 3HT ASN 18 13.371 11.022 3.347 4 HA ASN 18 HA ASN 18 10.433 11.452 3.247 5 HB2 ASN 18 2HB ASN 18 10.928 13.500 1.984 6 HB3 ASN 18 1HB ASN 18 11.645 13.550 3.586 7 HD21 ASN 18 1HD2 ASN 18 13.195 15.031 3.132 8 HD22 ASN 18 2HD2 ASN 18 14.495 14.773 2.032 9 H THR 19 H THR 19 13.165 10.098 1.567 10 HA THR 19 HA THR 19 12.013 10.344 -1.003 11 HB THR 19 HB THR 19 14.181 8.423 -0.145 12 HG1 THR 19 1HG THR 19 14.130 11.224 -0.188 13 HG21 THR 19 3HG2 THR 19 15.025 8.853 -2.420 14 HG22 THR 19 1HG2 THR 19 13.692 9.973 -2.709 15 HG23 THR 19 2HG2 THR 19 13.368 8.253 -2.483 16 H ALA 20 H ALA 20 12.131 7.857 1.473 17 HA ALA 20 HA ALA 20 11.085 5.728 -0.034 18 HB1 ALA 20 1HB ALA 20 11.022 6.222 2.926 19 HB2 ALA 20 2HB ALA 20 12.306 5.414 2.026 20 HB3 ALA 20 3HB ALA 20 10.703 4.684 2.139 21 H THR 21 H THR 21 9.558 8.011 2.202 22 HA THR 21 HA THR 21 6.957 6.999 1.988 23 HB THR 21 HB THR 21 7.614 9.859 2.426 24 HG1 THR 21 1HG THR 21 7.746 8.811 4.773 25 HG21 THR 21 3HG2 THR 21 5.657 7.941 3.674 26 HG22 THR 21 1HG2 THR 21 5.283 9.212 2.513 27 HG23 THR 21 2HG2 THR 21 5.822 9.637 4.144 28 H GLN 22 H GLN 22 8.814 9.329 0.113 29 HA GLN 22 HA GLN 22 6.746 10.365 -1.510 30 HB2 GLN 22 2HB GLN 22 8.996 11.385 -1.337 31 HB3 GLN 22 1HB GLN 22 9.681 9.979 -2.133 32 HG2 GLN 22 2HG GLN 22 8.349 10.517 -4.147 33 HG3 GLN 22 1HG GLN 22 7.775 11.975 -3.347 34 HE21 GLN 22 1HE2 GLN 22 11.040 10.707 -3.078 35 HE22 GLN 22 2HE2 GLN 22 11.797 12.014 -3.920 36 H ARG 23 H ARG 23 8.899 7.594 -1.784 37 HA ARG 23 HA ARG 23 8.006 6.800 -4.336 38 HB2 ARG 23 2HB ARG 23 10.185 6.101 -3.420 39 HB3 ARG 23 1HB ARG 23 9.366 5.162 -2.188 40 HG2 ARG 23 2HG ARG 23 10.191 3.692 -3.878 41 HG3 ARG 23 1HG ARG 23 8.429 3.704 -3.980 42 HD2 ARG 23 2HD ARG 23 10.361 5.195 -5.778 43 HD3 ARG 23 1HD ARG 23 9.534 3.698 -6.195 44 HE ARG 23 HE ARG 23 8.362 6.372 -5.954 45 HH11 ARG 23 1HH1 ARG 23 7.937 2.966 -6.963 46 HH12 ARG 23 2HH1 ARG 23 6.537 3.298 -7.860 47 HH21 ARG 23 1HH2 ARG 23 6.485 6.763 -7.134 48 HH22 ARG 23 2HH2 ARG 23 5.630 5.530 -7.940 49 H PHE 24 H PHE 24 6.767 6.279 -1.110 50 HA PHE 24 HA PHE 24 4.816 4.500 -2.321 51 HB2 PHE 24 2HB PHE 24 5.589 4.822 0.570 52 HB3 PHE 24 1HB PHE 24 4.022 4.137 0.151 53 HD1 PHE 24 1HD PHE 24 4.931 2.646 -2.381 54 HD2 PHE 24 2HD PHE 24 6.613 2.793 1.591 55 HE1 PHE 24 1HE PHE 24 5.917 0.459 -2.690 56 HE2 PHE 24 2HE PHE 24 7.577 0.619 1.207 57 HZ PHE 24 HZ PHE 24 7.242 -0.564 -0.905 58 H HIS 25 H HIS 25 4.962 7.457 -2.518 59 HA HIS 25 HA HIS 25 2.638 8.526 -1.308 60 HB2 HIS 25 2HB HIS 25 4.402 9.962 -2.287 61 HB3 HIS 25 1HB HIS 25 3.981 9.377 -3.888 62 HD1 HIS 25 1HD HIS 25 2.595 11.008 -5.141 63 HD2 HIS 25 2HD HIS 25 1.899 11.218 -1.054 64 HE1 HIS 25 1HE HIS 25 0.985 12.893 -4.825 65 HE2 HIS 25 2HE HIS 25 0.340 12.754 -2.424 66 H GLU 26 H GLU 26 3.104 6.649 -4.199 67 HA GLU 26 HA GLU 26 0.517 7.084 -5.228 68 HB2 GLU 26 2HB GLU 26 2.458 4.826 -5.724 69 HB3 GLU 26 1HB GLU 26 0.933 5.003 -6.577 70 HG2 GLU 26 2HG GLU 26 1.693 7.201 -7.399 71 HG3 GLU 26 1HG GLU 26 3.249 6.921 -6.619 72 H ILE 27 H ILE 27 1.815 4.889 -2.868 73 HA ILE 27 HA ILE 27 -0.556 3.267 -2.856 74 HB ILE 27 HB ILE 27 1.580 3.335 -0.703 75 HG12 ILE 27 2HG1 ILE 27 2.670 2.951 -2.873 76 HG13 ILE 27 1HG1 ILE 27 2.688 1.491 -1.895 77 HG21 ILE 27 1HG2 ILE 27 -0.455 2.156 -0.097 78 HG22 ILE 27 2HG2 ILE 27 0.851 0.992 -0.381 79 HG23 ILE 27 3HG2 ILE 27 -0.392 1.236 -1.601 80 HD11 ILE 27 3HD1 ILE 27 0.814 0.614 -3.207 81 HD12 ILE 27 1HD1 ILE 27 2.217 0.983 -4.216 82 HD13 ILE 27 2HD1 ILE 27 0.836 2.080 -4.190 83 H GLU 28 H GLU 28 0.800 5.925 -1.062 84 HA GLU 28 HA GLU 28 -0.996 6.135 1.064 85 HB2 GLU 28 2HB GLU 28 1.115 7.470 0.701 86 HB3 GLU 28 1HB GLU 28 0.236 8.420 -0.486 87 HG2 GLU 28 2HG GLU 28 0.205 9.693 1.482 88 HG3 GLU 28 1HG GLU 28 -1.397 8.971 1.370 89 H LYS 29 H LYS 29 -1.098 7.537 -2.180 90 HA LYS 29 HA LYS 29 -3.580 8.812 -1.826 91 HB2 LYS 29 2HB LYS 29 -3.705 9.193 -4.217 92 HB3 LYS 29 1HB LYS 29 -2.043 9.430 -3.711 93 HG2 LYS 29 2HG LYS 29 -1.468 7.221 -4.570 94 HG3 LYS 29 1HG LYS 29 -3.140 6.971 -5.045 95 HD2 LYS 29 2HD LYS 29 -3.010 8.794 -6.607 96 HD3 LYS 29 1HD LYS 29 -1.359 9.161 -6.105 97 HE2 LYS 29 2HE LYS 29 -0.713 6.849 -6.854 98 HE3 LYS 29 1HE LYS 29 -2.352 6.642 -7.452 99 HZ1 LYS 29 3HZ LYS 29 -1.988 8.492 -8.958 100 HZ2 LYS 29 1HZ LYS 29 -0.852 7.277 -9.221 101 HZ3 LYS 29 2HZ LYS 29 -0.417 8.689 -8.411 102 H PHE 30 H PHE 30 -2.770 5.562 -3.006 103 HA PHE 30 HA PHE 30 -5.361 4.773 -3.691 104 HB2 PHE 30 2HB PHE 30 -2.938 3.320 -2.822 105 HB3 PHE 30 1HB PHE 30 -4.469 2.468 -2.701 106 HD1 PHE 30 2HD PHE 30 -5.905 2.350 -4.794 107 HD2 PHE 30 1HD PHE 30 -1.798 3.412 -4.844 108 HE1 PHE 30 2HE PHE 30 -5.794 1.768 -7.170 109 HE2 PHE 30 1HE PHE 30 -1.669 2.830 -7.218 110 HZ PHE 30 HZ PHE 30 -3.663 2.004 -8.393 111 H LEU 31 H LEU 31 -3.717 4.615 -0.580 112 HA LEU 31 HA LEU 31 -5.742 3.250 0.779 113 HB2 LEU 31 2HB LEU 31 -3.426 3.446 1.568 114 HB3 LEU 31 1HB LEU 31 -3.644 5.162 1.810 115 HG LEU 31 HG LEU 31 -5.279 4.675 3.612 116 HD11 LEU 31 1HD1 LEU 31 -4.450 1.819 3.146 117 HD12 LEU 31 2HD1 LEU 31 -6.039 2.504 2.819 118 HD13 LEU 31 3HD1 LEU 31 -5.446 2.407 4.476 119 HD21 LEU 31 3HD2 LEU 31 -2.618 3.314 3.933 120 HD22 LEU 31 1HD2 LEU 31 -3.648 3.904 5.235 121 HD23 LEU 31 2HD2 LEU 31 -2.913 5.046 4.103 122 H LEU 32 H LEU 32 -5.123 6.734 0.568 123 HA LEU 32 HA LEU 32 -7.405 7.273 2.124 124 HB2 LEU 32 2HB LEU 32 -7.040 9.685 1.525 125 HB3 LEU 32 1HB LEU 32 -5.645 8.871 2.197 126 HG LEU 32 HG LEU 32 -4.846 8.637 -0.220 127 HD11 LEU 32 1HD1 LEU 32 -6.880 9.226 -1.365 128 HD12 LEU 32 2HD1 LEU 32 -5.608 10.387 -1.751 129 HD13 LEU 32 3HD1 LEU 32 -6.879 10.814 -0.603 130 HD21 LEU 32 3HD2 LEU 32 -3.834 10.857 -0.158 131 HD22 LEU 32 1HD2 LEU 32 -3.798 10.071 1.419 132 HD23 LEU 32 2HD2 LEU 32 -4.981 11.340 1.093 133 H HIS 33 H HIS 33 -6.849 6.999 -1.270 134 HA HIS 33 HA HIS 33 -9.238 7.995 -2.341 135 HB2 HIS 33 2HB HIS 33 -7.233 7.344 -3.651 136 HB3 HIS 33 1HB HIS 33 -7.567 5.665 -3.288 137 HD1 HIS 33 1HD HIS 33 -9.514 4.499 -4.692 138 HD2 HIS 33 2HD HIS 33 -8.817 8.500 -5.629 139 HE1 HIS 33 1HE HIS 33 -10.526 4.853 -6.893 140 HE2 HIS 33 2HE HIS 33 -9.837 7.158 -7.555 141 H ILE 34 H ILE 34 -8.328 4.681 -1.250 142 HA ILE 34 HA ILE 34 -10.701 3.485 -2.008 143 HB ILE 34 HB ILE 34 -8.506 2.708 -0.081 144 HG12 ILE 34 2HG1 ILE 34 -9.249 1.691 -2.834 145 HG13 ILE 34 1HG1 ILE 34 -7.949 2.814 -2.472 146 HG21 ILE 34 1HG2 ILE 34 -9.424 0.448 0.006 147 HG22 ILE 34 2HG2 ILE 34 -10.817 0.960 -0.936 148 HG23 ILE 34 3HG2 ILE 34 -10.565 1.610 0.685 149 HD11 ILE 34 3HD1 ILE 34 -8.147 -0.024 -1.537 150 HD12 ILE 34 1HD1 ILE 34 -6.811 1.073 -1.192 151 HD13 ILE 34 2HD1 ILE 34 -7.125 0.560 -2.854 152 H THR 35 H THR 35 -9.650 4.919 1.035 153 HA THR 35 HA THR 35 -11.828 4.093 2.595 154 HB THR 35 HB THR 35 -10.375 6.708 2.864 155 HG1 THR 35 1HG THR 35 -8.756 5.119 2.752 156 HG21 THR 35 3HG2 THR 35 -12.269 6.408 4.394 157 HG22 THR 35 1HG2 THR 35 -10.747 6.336 5.285 158 HG23 THR 35 2HG2 THR 35 -11.619 4.850 4.910 159 H HIS 36 H HIS 36 -11.410 7.130 0.720 160 HA HIS 36 HA HIS 36 -13.985 8.172 1.359 161 HB2 HIS 36 2HB HIS 36 -12.141 9.583 0.495 162 HB3 HIS 36 1HB HIS 36 -12.284 8.796 -1.074 163 HD1 HIS 36 1HD HIS 36 -14.037 9.749 -2.665 164 HD2 HIS 36 2HD HIS 36 -14.430 11.159 1.224 165 HE1 HIS 36 1HE HIS 36 -15.755 11.534 -2.772 166 HE2 HIS 36 2HE HIS 36 -16.271 11.962 -0.371 167 H GLU 37 H GLU 37 -12.762 6.075 -1.076 168 HA GLU 37 HA GLU 37 -15.020 6.049 -2.720 169 HB2 GLU 37 2HB GLU 37 -12.670 5.453 -3.348 170 HB3 GLU 37 1HB GLU 37 -12.845 3.991 -2.406 171 HG2 GLU 37 2HG GLU 37 -14.291 3.037 -3.939 172 HG3 GLU 37 1HG GLU 37 -14.676 4.597 -4.679 173 H VAL 38 H VAL 38 -14.106 4.362 0.199 174 HA VAL 38 HA VAL 38 -15.940 2.233 0.161 175 HB VAL 38 HB VAL 38 -14.721 3.767 2.492 176 HG11 VAL 38 1HG1 VAL 38 -16.809 2.654 3.192 177 HG12 VAL 38 2HG1 VAL 38 -15.402 1.894 3.928 178 HG13 VAL 38 3HG1 VAL 38 -16.203 1.129 2.550 179 HG21 VAL 38 3HG2 VAL 38 -13.260 1.860 2.717 180 HG22 VAL 38 1HG2 VAL 38 -13.123 2.573 1.114 181 HG23 VAL 38 2HG2 VAL 38 -14.038 1.079 1.339 182 H ASP 39 H ASP 39 -16.056 5.470 1.495 183 HA ASP 39 HA ASP 39 -18.706 5.232 2.304 184 HB2 ASP 39 2HB ASP 39 -17.565 7.053 3.305 185 HB3 ASP 39 1HB ASP 39 -17.094 7.716 1.741 186 H ASP 40 H ASP 40 -17.254 6.225 -0.711 187 HA ASP 40 HA ASP 40 -19.457 7.358 -1.957 188 HB2 ASP 40 2HB ASP 40 -17.118 7.630 -2.705 189 HB3 ASP 40 1HB ASP 40 -17.069 5.919 -3.108 190 H LEU 41 H LEU 41 -18.159 4.069 -1.946 191 HA LEU 41 HA LEU 41 -19.975 2.908 -3.801 192 HB2 LEU 41 2HB LEU 41 -19.040 1.534 -1.330 193 HB3 LEU 41 1HB LEU 41 -19.487 0.830 -2.860 194 HG LEU 41 HG LEU 41 -17.042 2.409 -2.272 195 HD11 LEU 41 1HD1 LEU 41 -16.002 0.136 -2.505 196 HD12 LEU 41 2HD1 LEU 41 -17.677 -0.480 -2.579 197 HD13 LEU 41 3HD1 LEU 41 -17.112 0.342 -1.139 198 HD21 LEU 41 3HD2 LEU 41 -17.882 0.915 -4.773 199 HD22 LEU 41 1HD2 LEU 41 -16.274 1.588 -4.492 200 HD23 LEU 41 2HD2 LEU 41 -17.669 2.655 -4.611 201 H GLU 42 H GLU 42 -19.907 3.371 -0.418 202 HA GLU 42 HA GLU 42 -22.024 1.765 0.314 203 HB2 GLU 42 2HB GLU 42 -20.219 2.674 1.745 204 HB3 GLU 42 1HB GLU 42 -21.079 4.202 1.761 205 HG2 GLU 42 2HG GLU 42 -22.915 3.228 2.905 206 HG3 GLU 42 1HG GLU 42 -22.226 1.610 2.727 207 H LYS 43 H LYS 43 -21.941 5.132 -0.744 208 HA LYS 43 HA LYS 43 -24.775 5.352 -0.088 209 HB2 LYS 43 2HB LYS 43 -22.890 7.523 -1.023 210 HB3 LYS 43 1HB LYS 43 -24.525 7.751 -0.419 211 HG2 LYS 43 2HG LYS 43 -22.063 6.943 1.115 212 HG3 LYS 43 1HG LYS 43 -23.124 8.328 1.381 213 HD2 LYS 43 2HD LYS 43 -24.957 6.701 1.923 214 HD3 LYS 43 1HD LYS 43 -23.754 5.428 1.812 215 HE2 LYS 43 2HE LYS 43 -23.623 7.772 3.737 216 HE3 LYS 43 1HE LYS 43 -24.204 6.175 4.168 217 HZ1 LYS 43 3HZ LYS 43 -21.375 6.828 3.342 218 HZ2 LYS 43 1HZ LYS 43 -21.937 5.299 3.833 219 HZ3 LYS 43 2HZ LYS 43 -21.933 6.566 4.884 220 H THR 44 H THR 44 -22.677 4.819 -2.581 221 HA THR 44 HA THR 44 -24.340 5.670 -4.734 222 HB THR 44 HB THR 44 -21.725 4.272 -4.397 223 HG1 THR 44 1HG THR 44 -21.242 6.201 -4.236 224 HG21 THR 44 3HG2 THR 44 -22.935 4.981 -7.057 225 HG22 THR 44 1HG2 THR 44 -22.698 3.330 -6.404 226 HG23 THR 44 2HG2 THR 44 -21.298 4.378 -6.686 227 H GLY 45 H GLY 45 -23.728 2.709 -2.933 228 HA2 GLY 45 2HA GLY 45 -26.164 1.570 -3.745 229 HA3 GLY 45 1HA GLY 45 -24.895 0.922 -4.777 230 H ASN 46 H ASN 46 -22.903 0.310 -3.489 231 HA ASN 46 HA ASN 46 -21.780 -0.851 -1.848 232 HB2 ASN 46 2HB ASN 46 -23.339 0.551 -0.234 233 HB3 ASN 46 1HB ASN 46 -24.305 -0.894 -0.185 234 HD21 ASN 46 1HD2 ASN 46 -23.656 -2.607 1.003 235 HD22 ASN 46 2HD2 ASN 46 -22.313 -2.577 2.078 236 H LYS 47 H LYS 47 -23.449 -1.811 -4.017 237 HA LYS 47 HA LYS 47 -25.021 -4.040 -3.168 238 HB2 LYS 47 2HB LYS 47 -23.940 -3.548 -5.938 239 HB3 LYS 47 1HB LYS 47 -25.343 -4.516 -5.506 240 HG2 LYS 47 2HG LYS 47 -26.530 -2.543 -4.772 241 HG3 LYS 47 1HG LYS 47 -25.117 -1.538 -5.103 242 HD2 LYS 47 2HD LYS 47 -25.279 -2.267 -7.494 243 HD3 LYS 47 1HD LYS 47 -26.805 -3.054 -7.087 244 HE2 LYS 47 2HE LYS 47 -26.199 -0.115 -6.771 245 HE3 LYS 47 1HE LYS 47 -27.147 -0.828 -8.070 246 HZ1 LYS 47 3HZ LYS 47 -28.502 0.137 -6.340 247 HZ2 LYS 47 1HZ LYS 47 -27.866 -0.894 -5.178 248 HZ3 LYS 47 2HZ LYS 47 -28.800 -1.510 -6.450 249 H ASP 48 H ASP 48 -21.966 -3.999 -4.917 250 HA ASP 48 HA ASP 48 -20.913 -6.175 -3.309 251 HB2 ASP 48 2HB ASP 48 -20.477 -7.795 -5.048 252 HB3 ASP 48 1HB ASP 48 -22.166 -7.367 -5.203 253 H GLU 49 H GLU 49 -20.662 -3.458 -4.262 254 HA GLU 49 HA GLU 49 -18.176 -3.052 -5.723 255 HB2 GLU 49 2HB GLU 49 -19.845 -1.148 -4.077 256 HB3 GLU 49 1HB GLU 49 -18.674 -0.758 -5.337 257 HG2 GLU 49 2HG GLU 49 -20.073 -1.431 -7.047 258 HG3 GLU 49 1HG GLU 49 -21.076 -2.406 -5.977 259 H LYS 50 H LYS 50 -19.209 -3.178 -2.435 260 HA LYS 50 HA LYS 50 -16.898 -2.125 -1.208 261 HB2 LYS 50 2HB LYS 50 -19.277 -3.152 -0.396 262 HB3 LYS 50 1HB LYS 50 -18.216 -4.485 0.016 263 HG2 LYS 50 2HG LYS 50 -18.354 -3.239 1.975 264 HG3 LYS 50 1HG LYS 50 -16.858 -2.676 1.230 265 HD2 LYS 50 2HD LYS 50 -17.808 -0.731 0.433 266 HD3 LYS 50 1HD LYS 50 -19.447 -1.337 0.646 267 HE2 LYS 50 2HE LYS 50 -19.051 -1.320 3.120 268 HE3 LYS 50 1HE LYS 50 -17.522 -0.495 2.829 269 HZ1 LYS 50 3HZ LYS 50 -18.752 1.349 1.828 270 HZ2 LYS 50 1HZ LYS 50 -19.416 1.051 3.362 271 HZ3 LYS 50 2HZ LYS 50 -20.183 0.461 2.007 272 H ALA 51 H ALA 51 -17.849 -5.338 -2.037 273 HA ALA 51 HA ALA 51 -15.500 -6.733 -1.383 274 HB1 ALA 51 1HB ALA 51 -17.631 -7.857 -1.829 275 HB2 ALA 51 2HB ALA 51 -16.340 -8.520 -2.829 276 HB3 ALA 51 3HB ALA 51 -17.512 -7.404 -3.529 277 H ARG 52 H ARG 52 -16.509 -5.278 -4.424 278 HA ARG 52 HA ARG 52 -14.281 -5.996 -6.008 279 HB2 ARG 52 2HB ARG 52 -15.972 -3.514 -6.227 280 HB3 ARG 52 1HB ARG 52 -14.859 -4.088 -7.451 281 HG2 ARG 52 2HG ARG 52 -16.151 -6.095 -7.682 282 HG3 ARG 52 1HG ARG 52 -17.301 -5.501 -6.470 283 HD2 ARG 52 2HD ARG 52 -17.613 -3.470 -7.936 284 HD3 ARG 52 1HD ARG 52 -16.685 -4.314 -9.175 285 HE ARG 52 HE ARG 52 -18.902 -5.805 -8.141 286 HH11 ARG 52 1HH1 ARG 52 -17.910 -3.464 -10.619 287 HH12 ARG 52 2HH1 ARG 52 -19.264 -3.749 -11.603 288 HH21 ARG 52 1HH2 ARG 52 -20.729 -6.128 -9.408 289 HH22 ARG 52 2HH2 ARG 52 -20.949 -5.313 -10.897 290 H LEU 53 H LEU 53 -14.908 -3.055 -4.053 291 HA LEU 53 HA LEU 53 -12.517 -1.834 -4.709 292 HB2 LEU 53 2HB LEU 53 -14.340 -0.622 -3.813 293 HB3 LEU 53 1HB LEU 53 -14.372 -1.621 -2.368 294 HG LEU 53 HG LEU 53 -12.222 -0.917 -1.863 295 HD11 LEU 53 1HD1 LEU 53 -12.638 1.085 -4.120 296 HD12 LEU 53 2HD1 LEU 53 -11.346 -0.110 -3.991 297 HD13 LEU 53 3HD1 LEU 53 -11.371 1.288 -2.918 298 HD21 LEU 53 3HD2 LEU 53 -14.066 0.099 -0.733 299 HD22 LEU 53 1HD2 LEU 53 -14.276 1.276 -2.024 300 HD23 LEU 53 2HD2 LEU 53 -12.854 1.355 -0.989 301 H LEU 54 H LEU 54 -13.359 -4.112 -2.172 302 HA LEU 54 HA LEU 54 -10.867 -3.994 -0.881 303 HB2 LEU 54 2HB LEU 54 -12.860 -6.257 -0.929 304 HB3 LEU 54 1HB LEU 54 -11.479 -6.166 0.152 305 HG LEU 54 HG LEU 54 -13.859 -4.328 0.094 306 HD11 LEU 54 1HD1 LEU 54 -12.900 -6.260 2.186 307 HD12 LEU 54 2HD1 LEU 54 -14.319 -6.429 1.155 308 HD13 LEU 54 3HD1 LEU 54 -14.248 -5.135 2.353 309 HD21 LEU 54 3HD2 LEU 54 -11.895 -2.983 0.556 310 HD22 LEU 54 1HD2 LEU 54 -11.353 -4.146 1.765 311 HD23 LEU 54 2HD2 LEU 54 -12.821 -3.204 2.024 312 H ARG 55 H ARG 55 -11.957 -5.681 -3.637 313 HA ARG 55 HA ARG 55 -9.704 -7.444 -3.911 314 HB2 ARG 55 2HB ARG 55 -11.544 -6.358 -6.055 315 HB3 ARG 55 1HB ARG 55 -10.357 -7.624 -6.302 316 HG2 ARG 55 2HG ARG 55 -11.578 -9.056 -4.750 317 HG3 ARG 55 1HG ARG 55 -12.783 -7.778 -4.532 318 HD2 ARG 55 2HD ARG 55 -13.239 -7.841 -6.949 319 HD3 ARG 55 1HD ARG 55 -12.081 -9.157 -7.112 320 HE ARG 55 HE ARG 55 -14.218 -9.634 -5.237 321 HH11 ARG 55 1HH1 ARG 55 -13.084 -10.016 -8.581 322 HH12 ARG 55 2HH1 ARG 55 -14.201 -11.240 -8.954 323 HH21 ARG 55 1HH2 ARG 55 -15.798 -11.293 -5.815 324 HH22 ARG 55 2HH2 ARG 55 -15.771 -11.951 -7.394 325 H GLU 56 H GLU 56 -10.469 -4.185 -4.913 326 HA GLU 56 HA GLU 56 -8.294 -3.639 -6.565 327 HB2 GLU 56 2HB GLU 56 -10.347 -2.262 -6.285 328 HB3 GLU 56 1HB GLU 56 -9.779 -1.784 -4.697 329 HG2 GLU 56 2HG GLU 56 -9.366 -0.036 -6.229 330 HG3 GLU 56 1HG GLU 56 -7.823 -0.764 -5.758 331 H LEU 57 H LEU 57 -8.662 -3.310 -3.011 332 HA LEU 57 HA LEU 57 -6.020 -2.329 -2.702 333 HB2 LEU 57 2HB LEU 57 -6.257 -2.549 -0.288 334 HB3 LEU 57 1HB LEU 57 -7.686 -1.823 -0.962 335 HG LEU 57 HG LEU 57 -8.722 -4.184 -0.740 336 HD11 LEU 57 1HD1 LEU 57 -7.814 -5.539 1.074 337 HD12 LEU 57 2HD1 LEU 57 -6.427 -4.458 1.201 338 HD13 LEU 57 3HD1 LEU 57 -6.668 -5.411 -0.263 339 HD21 LEU 57 3HD2 LEU 57 -9.328 -3.703 1.575 340 HD22 LEU 57 1HD2 LEU 57 -9.395 -2.270 0.551 341 HD23 LEU 57 2HD2 LEU 57 -8.035 -2.506 1.649 342 H THR 58 H THR 58 -7.389 -5.413 -2.881 343 HA THR 58 HA THR 58 -5.263 -6.906 -1.888 344 HB THR 58 HB THR 58 -7.255 -7.662 -4.053 345 HG1 THR 58 1HG THR 58 -8.222 -6.976 -2.046 346 HG21 THR 58 3HG2 THR 58 -5.421 -9.258 -3.946 347 HG22 THR 58 1HG2 THR 58 -6.883 -9.982 -3.287 348 HG23 THR 58 2HG2 THR 58 -5.616 -9.406 -2.197 349 H VAL 59 H VAL 59 -6.025 -5.678 -5.109 350 HA VAL 59 HA VAL 59 -3.716 -6.623 -6.458 351 HB VAL 59 HB VAL 59 -5.340 -4.117 -7.081 352 HG11 VAL 59 1HG1 VAL 59 -3.552 -5.764 -8.872 353 HG12 VAL 59 2HG1 VAL 59 -3.184 -4.166 -8.233 354 HG13 VAL 59 3HG1 VAL 59 -4.514 -4.373 -9.374 355 HG21 VAL 59 3HG2 VAL 59 -6.783 -6.078 -7.027 356 HG22 VAL 59 1HG2 VAL 59 -5.695 -6.928 -8.124 357 HG23 VAL 59 2HG2 VAL 59 -6.580 -5.508 -8.682 358 H SER 60 H SER 60 -4.482 -3.756 -4.613 359 HA SER 60 HA SER 60 -2.156 -2.329 -5.078 360 HB2 SER 60 2HB SER 60 -3.862 -2.236 -2.580 361 HB3 SER 60 1HB SER 60 -2.736 -0.992 -3.117 362 HG SER 60 HG SER 60 -4.922 -1.827 -4.749 363 H GLU 61 H GLU 61 -2.802 -4.688 -2.578 364 HA GLU 61 HA GLU 61 -0.180 -4.325 -1.548 365 HB2 GLU 61 2HB GLU 61 -0.391 -6.165 -0.046 366 HB3 GLU 61 1HB GLU 61 -1.963 -5.404 -0.099 367 HG2 GLU 61 2HG GLU 61 -2.945 -7.285 -0.807 368 HG3 GLU 61 1HG GLU 61 -1.670 -7.613 -1.985 369 H ALA 62 H ALA 62 -1.434 -6.230 -4.104 370 HA ALA 62 HA ALA 62 0.727 -8.020 -4.368 371 HB1 ALA 62 1HB ALA 62 -0.961 -6.916 -6.613 372 HB2 ALA 62 2HB ALA 62 -1.388 -8.300 -5.611 373 HB3 ALA 62 3HB ALA 62 0.020 -8.379 -6.670 374 H PHE 63 H PHE 63 0.321 -4.771 -5.773 375 HA PHE 63 HA PHE 63 2.963 -5.078 -6.810 376 HB2 PHE 63 2HB PHE 63 2.837 -2.557 -7.433 377 HB3 PHE 63 1HB PHE 63 1.854 -3.704 -8.322 378 HD1 PHE 63 1HD PHE 63 1.778 -1.233 -5.576 379 HD2 PHE 63 2HD PHE 63 -0.414 -3.445 -8.461 380 HE1 PHE 63 1HE PHE 63 -0.236 0.074 -5.061 381 HE2 PHE 63 2HE PHE 63 -2.419 -2.143 -7.948 382 HZ PHE 63 HZ PHE 63 -2.334 -0.428 -6.221 383 H ILE 64 H ILE 64 1.696 -3.771 -3.908 384 HA ILE 64 HA ILE 64 4.076 -2.468 -3.192 385 HB ILE 64 HB ILE 64 1.651 -2.473 -1.979 386 HG12 ILE 64 2HG1 ILE 64 3.543 -0.910 -1.532 387 HG13 ILE 64 1HG1 ILE 64 2.552 -1.284 -0.134 388 HG21 ILE 64 1HG2 ILE 64 3.226 -4.347 -0.220 389 HG22 ILE 64 2HG2 ILE 64 1.815 -4.786 -1.165 390 HG23 ILE 64 3HG2 ILE 64 1.661 -3.626 0.163 391 HD11 ILE 64 3HD1 ILE 64 4.930 -1.168 0.444 392 HD12 ILE 64 1HD1 ILE 64 5.283 -2.435 -0.729 393 HD13 ILE 64 2HD1 ILE 64 4.307 -2.793 0.699 394 H GLU 65 H GLU 65 3.081 -5.849 -2.964 395 HA GLU 65 HA GLU 65 5.284 -6.896 -1.543 396 HB2 GLU 65 2HB GLU 65 3.928 -8.158 -3.925 397 HB3 GLU 65 1HB GLU 65 4.965 -8.982 -2.783 398 HG2 GLU 65 2HG GLU 65 3.315 -8.568 -1.032 399 HG3 GLU 65 1HG GLU 65 2.276 -7.787 -2.230 400 H GLY 66 H GLY 66 4.807 -6.298 -4.974 401 HA2 GLY 66 2HA GLY 66 7.294 -7.165 -5.932 402 HA3 GLY 66 1HA GLY 66 6.288 -5.950 -6.711 403 H SER 67 H SER 67 6.296 -3.918 -4.939 404 HA SER 67 HA SER 67 8.787 -2.696 -5.429 405 HB2 SER 67 2HB SER 67 6.569 -1.864 -3.540 406 HB3 SER 67 1HB SER 67 7.889 -0.834 -4.092 407 HG SER 67 HG SER 67 6.342 -2.100 -6.044 408 H ARG 68 H ARG 68 7.340 -4.279 -2.656 409 HA ARG 68 HA ARG 68 9.309 -3.447 -0.886 410 HB2 ARG 68 2HB ARG 68 7.071 -4.120 -0.108 411 HB3 ARG 68 1HB ARG 68 7.396 -5.769 -0.608 412 HG2 ARG 68 2HG ARG 68 9.136 -5.950 1.074 413 HG3 ARG 68 1HG ARG 68 8.854 -4.272 1.549 414 HD2 ARG 68 2HD ARG 68 6.511 -4.886 2.094 415 HD3 ARG 68 1HD ARG 68 6.920 -6.572 1.774 416 HE ARG 68 HE ARG 68 8.790 -5.742 3.562 417 HH11 ARG 68 1HH1 ARG 68 5.226 -5.971 3.626 418 HH12 ARG 68 2HH1 ARG 68 5.199 -5.988 5.349 419 HH21 ARG 68 1HH2 ARG 68 8.625 -5.788 5.879 420 HH22 ARG 68 2HH2 ARG 68 7.077 -5.898 6.592 421 H GLY 69 H GLY 69 8.869 -6.417 -2.657 422 HA2 GLY 69 2HA GLY 69 11.177 -7.696 -1.696 423 HA3 GLY 69 1HA GLY 69 10.386 -8.015 -3.239 424 H TYR 70 H TYR 70 10.650 -5.099 -3.914 425 HA TYR 70 HA TYR 70 13.095 -5.452 -5.362 426 HB2 TYR 70 2HB TYR 70 11.071 -4.238 -6.299 427 HB3 TYR 70 1HB TYR 70 11.452 -2.913 -5.204 428 HD1 TYR 70 2HD TYR 70 12.740 -4.896 -8.033 429 HD2 TYR 70 1HD TYR 70 13.143 -1.307 -5.779 430 HE1 TYR 70 2HE TYR 70 14.312 -4.045 -9.691 431 HE2 TYR 70 1HE TYR 70 14.731 -0.441 -7.448 432 HH TYR 70 HH TYR 70 16.264 -1.321 -9.139 433 H PHE 71 H PHE 71 11.972 -3.413 -2.746 434 HA PHE 71 HA PHE 71 14.337 -1.986 -2.416 435 HB2 PHE 71 2HB PHE 71 12.210 -2.639 -0.383 436 HB3 PHE 71 1HB PHE 71 13.532 -1.535 -0.047 437 HD1 PHE 71 1HD PHE 71 13.792 0.215 -2.171 438 HD2 PHE 71 2HD PHE 71 10.237 -1.623 -0.773 439 HE1 PHE 71 1HE PHE 71 12.469 2.063 -3.113 440 HE2 PHE 71 2HE PHE 71 8.914 0.209 -1.729 441 HZ PHE 71 HZ PHE 71 10.011 2.039 -2.889 442 H GLN 72 H GLN 72 13.287 -5.013 -1.047 443 HA GLN 72 HA GLN 72 15.444 -5.485 0.701 444 HB2 GLN 72 2HB GLN 72 13.791 -7.501 -0.840 445 HB3 GLN 72 1HB GLN 72 14.767 -7.848 0.581 446 HG2 GLN 72 2HG GLN 72 13.349 -6.504 1.966 447 HG3 GLN 72 1HG GLN 72 12.451 -5.928 0.566 448 HE21 GLN 72 1HE2 GLN 72 11.428 -7.241 2.910 449 HE22 GLN 72 2HE2 GLN 72 10.670 -8.689 2.377 450 H ARG 73 H ARG 73 14.955 -6.245 -2.713 451 HA ARG 73 HA ARG 73 17.498 -7.454 -3.058 452 HB2 ARG 73 2HB ARG 73 15.321 -6.601 -4.884 453 HB3 ARG 73 1HB ARG 73 16.919 -6.836 -5.576 454 HG2 ARG 73 2HG ARG 73 15.466 -8.800 -5.725 455 HG3 ARG 73 1HG ARG 73 16.982 -9.099 -4.855 456 HD2 ARG 73 2HD ARG 73 15.693 -8.841 -2.723 457 HD3 ARG 73 1HD ARG 73 14.220 -8.708 -3.677 458 HE ARG 73 HE ARG 73 15.625 -11.041 -4.371 459 HH11 ARG 73 1HH1 ARG 73 13.508 -9.771 -1.820 460 HH12 ARG 73 2HH1 ARG 73 13.041 -11.314 -1.252 461 HH21 ARG 73 1HH2 ARG 73 14.993 -13.137 -3.574 462 HH22 ARG 73 2HH2 ARG 73 13.915 -13.284 -2.279 463 H GLU 74 H GLU 74 16.340 -4.246 -3.405 464 HA GLU 74 HA GLU 74 18.615 -3.019 -4.476 465 HB2 GLU 74 2HB GLU 74 16.501 -2.001 -2.612 466 HB3 GLU 74 1HB GLU 74 17.839 -0.983 -3.106 467 HG2 GLU 74 2HG GLU 74 15.978 -2.326 -5.038 468 HG3 GLU 74 1HG GLU 74 15.735 -0.699 -4.404 469 H LEU 75 H LEU 75 17.981 -4.068 -1.202 470 HA LEU 75 HA LEU 75 20.246 -2.905 0.007 471 HB2 LEU 75 2HB LEU 75 18.775 -5.454 0.672 472 HB3 LEU 75 1HB LEU 75 20.031 -4.769 1.682 473 HG LEU 75 HG LEU 75 17.463 -3.317 1.015 474 HD11 LEU 75 1HD1 LEU 75 18.202 -4.894 3.479 475 HD12 LEU 75 2HD1 LEU 75 17.003 -5.372 2.279 476 HD13 LEU 75 3HD1 LEU 75 16.742 -3.932 3.265 477 HD21 LEU 75 3HD2 LEU 75 18.099 -1.876 2.854 478 HD22 LEU 75 1HD2 LEU 75 19.406 -1.916 1.672 479 HD23 LEU 75 2HD2 LEU 75 19.535 -2.848 3.159 480 H LYS 76 H LYS 76 20.020 -5.390 -2.282 481 HA LYS 76 HA LYS 76 22.656 -6.488 -1.686 482 HB2 LYS 76 2HB LYS 76 20.545 -7.367 -3.648 483 HB3 LYS 76 1HB LYS 76 22.075 -8.179 -3.396 484 HG2 LYS 76 2HG LYS 76 21.436 -8.677 -1.100 485 HG3 LYS 76 1HG LYS 76 19.909 -7.829 -1.344 486 HD2 LYS 76 2HD LYS 76 19.372 -10.099 -1.611 487 HD3 LYS 76 1HD LYS 76 19.487 -9.448 -3.239 488 HE2 LYS 76 2HE LYS 76 21.704 -10.994 -1.859 489 HE3 LYS 76 1HE LYS 76 20.527 -11.727 -2.935 490 HZ1 LYS 76 3HZ LYS 76 21.417 -10.228 -4.719 491 HZ2 LYS 76 1HZ LYS 76 22.519 -11.339 -4.116 492 HZ3 LYS 76 2HZ LYS 76 22.649 -9.757 -3.653 493 H ARG 77 H ARG 77 21.399 -3.990 -3.383 494 HA ARG 77 HA ARG 77 22.139 -4.135 -6.050 495 HB2 ARG 77 2HB ARG 77 20.707 -2.379 -4.927 496 HB3 ARG 77 1HB ARG 77 22.210 -1.667 -4.352 497 HG2 ARG 77 2HG ARG 77 22.914 -1.156 -6.557 498 HG3 ARG 77 1HG ARG 77 21.543 -2.025 -7.253 499 HD2 ARG 77 2HD ARG 77 20.003 -0.451 -6.258 500 HD3 ARG 77 1HD ARG 77 21.334 0.381 -5.452 501 HE ARG 77 HE ARG 77 22.046 0.494 -8.021 502 HH11 ARG 77 1HH1 ARG 77 18.849 1.141 -6.630 503 HH12 ARG 77 2HH1 ARG 77 18.615 2.553 -7.546 504 HH21 ARG 77 1HH2 ARG 77 21.670 2.352 -9.300 505 HH22 ARG 77 2HH2 ARG 77 20.265 3.293 -9.115 506 H THR 78 H THR 78 24.196 -3.756 -3.317 507 HA THR 78 HA THR 78 26.392 -3.611 -3.040 508 HB THR 78 HB THR 78 26.700 -3.580 -6.064 509 HG1 THR 78 1HG THR 78 25.685 -5.423 -4.497 510 HG21 THR 78 3HG2 THR 78 28.731 -2.963 -4.775 511 HG22 THR 78 1HG2 THR 78 28.918 -4.522 -5.579 512 HG23 THR 78 2HG2 THR 78 28.577 -4.457 -3.851 513 H ASP 79 H ASP 79 25.151 -1.443 -5.531 514 HA ASP 79 HA ASP 79 26.786 0.661 -4.355 515 HB2 ASP 79 2HB ASP 79 26.923 0.565 -6.805 516 HB3 ASP 79 1HB ASP 79 25.173 0.760 -6.912 517 H LEU 80 H LEU 80 25.735 0.927 -2.576 518 HA LEU 80 HA LEU 80 23.596 2.870 -2.422 519 HB2 LEU 80 2HB LEU 80 22.037 1.538 -1.212 520 HB3 LEU 80 1HB LEU 80 22.432 0.516 -2.568 521 HG LEU 80 HG LEU 80 23.733 0.270 0.105 522 HD11 LEU 80 1HD1 LEU 80 21.321 -0.031 0.384 523 HD12 LEU 80 2HD1 LEU 80 22.143 -1.583 0.547 524 HD13 LEU 80 3HD1 LEU 80 21.303 -1.191 -0.949 525 HD21 LEU 80 3HD2 LEU 80 24.915 -0.842 -1.717 526 HD22 LEU 80 1HD2 LEU 80 23.442 -1.694 -2.176 527 HD23 LEU 80 2HD2 LEU 80 24.218 -2.044 -0.632 528 H ASP 81 H ASP 81 23.683 3.795 -0.561 529 HA ASP 81 HA ASP 81 25.868 2.986 1.194 530 HB2 ASP 81 2HB ASP 81 26.270 5.054 -0.352 531 HB3 ASP 81 1HB ASP 81 25.035 5.835 0.626 532 H LEU 82 H LEU 82 25.164 5.002 3.087 533 HA LEU 82 HA LEU 82 23.050 3.734 4.404 534 HB2 LEU 82 2HB LEU 82 24.184 6.488 4.870 535 HB3 LEU 82 1HB LEU 82 23.128 5.630 5.970 536 HG LEU 82 HG LEU 82 25.928 4.801 5.207 537 HD11 LEU 82 1HD1 LEU 82 25.888 6.767 6.626 538 HD12 LEU 82 2HD1 LEU 82 26.468 5.364 7.524 539 HD13 LEU 82 3HD1 LEU 82 24.820 5.944 7.761 540 HD21 LEU 82 3HD2 LEU 82 24.529 2.853 5.669 541 HD22 LEU 82 1HD2 LEU 82 23.987 3.587 7.180 542 HD23 LEU 82 2HD2 LEU 82 25.675 3.117 6.982 543 H LEU 83 H LEU 83 23.060 6.370 2.166 544 HA LEU 83 HA LEU 83 20.534 7.516 2.813 545 HB2 LEU 83 2HB LEU 83 22.441 8.472 1.372 546 HB3 LEU 83 1HB LEU 83 21.888 7.351 0.154 547 HG LEU 83 HG LEU 83 21.215 9.799 -0.158 548 HD11 LEU 83 1HD1 LEU 83 18.968 7.798 -0.094 549 HD12 LEU 83 2HD1 LEU 83 20.086 8.080 -1.429 550 HD13 LEU 83 3HD1 LEU 83 18.952 9.343 -0.947 551 HD21 LEU 83 3HD2 LEU 83 19.292 10.626 1.086 552 HD22 LEU 83 1HD2 LEU 83 20.661 10.308 2.148 553 HD23 LEU 83 2HD2 LEU 83 19.306 9.176 2.090 554 H GLU 84 H GLU 84 21.517 5.250 0.322 555 HA GLU 84 HA GLU 84 18.895 4.877 -0.585 556 HB2 GLU 84 2HB GLU 84 21.361 3.233 -0.937 557 HB3 GLU 84 1HB GLU 84 19.870 2.962 -1.849 558 HG2 GLU 84 2HG GLU 84 20.998 4.210 -3.378 559 HG3 GLU 84 1HG GLU 84 20.349 5.541 -2.428 560 H LYS 85 H LYS 85 21.014 3.130 1.553 561 HA LYS 85 HA LYS 85 19.530 0.853 2.079 562 HB2 LYS 85 2HB LYS 85 21.854 1.159 2.770 563 HB3 LYS 85 1HB LYS 85 21.376 2.460 3.842 564 HG2 LYS 85 2HG LYS 85 20.082 0.821 5.175 565 HG3 LYS 85 1HG LYS 85 20.697 -0.460 4.128 566 HD2 LYS 85 2HD LYS 85 23.004 0.137 4.764 567 HD3 LYS 85 1HD LYS 85 22.376 1.413 5.794 568 HE2 LYS 85 2HE LYS 85 21.753 -1.514 6.130 569 HE3 LYS 85 1HE LYS 85 22.995 -0.642 7.024 570 HZ1 LYS 85 3HZ LYS 85 21.296 0.782 7.948 571 HZ2 LYS 85 1HZ LYS 85 20.917 -0.824 8.282 572 HZ3 LYS 85 2HZ LYS 85 20.079 -0.024 7.079 573 H PHE 86 H PHE 86 19.487 4.089 3.527 574 HA PHE 86 HA PHE 86 17.775 3.294 5.547 575 HB2 PHE 86 2HB PHE 86 19.302 5.294 5.670 576 HB3 PHE 86 1HB PHE 86 18.216 6.134 4.581 577 HD1 PHE 86 1HD PHE 86 15.941 6.781 5.377 578 HD2 PHE 86 2HD PHE 86 18.855 5.103 7.980 579 HE1 PHE 86 1HE PHE 86 14.682 7.602 7.319 580 HE2 PHE 86 2HE PHE 86 17.595 5.920 9.923 581 HZ PHE 86 HZ PHE 86 15.504 7.165 9.594 582 H ASN 87 H ASN 87 17.366 4.422 2.416 583 HA ASN 87 HA ASN 87 14.661 5.290 2.495 584 HB2 ASN 87 2HB ASN 87 16.104 6.221 0.813 585 HB3 ASN 87 1HB ASN 87 16.571 4.624 0.252 586 HD21 ASN 87 1HD2 ASN 87 15.264 3.564 -1.215 587 HD22 ASN 87 2HD2 ASN 87 13.886 4.314 -1.938 588 H PHE 88 H PHE 88 16.361 2.306 1.681 589 HA PHE 88 HA PHE 88 14.010 1.043 0.669 590 HB2 PHE 88 2HB PHE 88 16.446 -0.382 1.741 591 HB3 PHE 88 1HB PHE 88 15.282 -1.020 0.595 592 HD1 PHE 88 1HD PHE 88 15.097 1.402 -1.204 593 HD2 PHE 88 2HD PHE 88 18.383 -0.609 0.576 594 HE1 PHE 88 1HE PHE 88 16.561 2.232 -2.976 595 HE2 PHE 88 2HE PHE 88 19.846 0.226 -1.197 596 HZ PHE 88 HZ PHE 88 18.961 1.654 -2.920 597 H GLU 89 H GLU 89 15.787 0.979 3.689 598 HA GLU 89 HA GLU 89 14.005 -0.837 4.868 599 HB2 GLU 89 2HB GLU 89 15.980 1.074 6.110 600 HB3 GLU 89 1HB GLU 89 15.172 -0.244 6.955 601 HG2 GLU 89 2HG GLU 89 16.220 -1.864 5.459 602 HG3 GLU 89 1HG GLU 89 17.022 -0.553 4.602 603 H ALA 90 H ALA 90 14.123 2.626 4.445 604 HA ALA 90 HA ALA 90 12.113 3.045 6.464 605 HB1 ALA 90 1HB ALA 90 11.861 5.338 5.627 606 HB2 ALA 90 2HB ALA 90 12.826 4.926 4.207 607 HB3 ALA 90 3HB ALA 90 13.565 4.925 5.806 608 H ALA 91 H ALA 91 12.090 2.546 3.022 609 HA ALA 91 HA ALA 91 9.299 2.920 2.727 610 HB1 ALA 91 1HB ALA 91 11.192 1.405 0.931 611 HB2 ALA 91 2HB ALA 91 10.853 3.134 0.840 612 HB3 ALA 91 3HB ALA 91 9.569 1.973 0.519 613 H LEU 92 H LEU 92 11.337 0.118 3.324 614 HA LEU 92 HA LEU 92 9.338 -1.842 3.132 615 HB2 LEU 92 2HB LEU 92 11.714 -1.775 5.008 616 HB3 LEU 92 1HB LEU 92 10.727 -3.185 4.710 617 HG LEU 92 HG LEU 92 12.461 -1.805 2.659 618 HD11 LEU 92 1HD1 LEU 92 12.851 -4.403 4.120 619 HD12 LEU 92 2HD1 LEU 92 13.785 -2.928 4.365 620 HD13 LEU 92 3HD1 LEU 92 13.876 -3.784 2.826 621 HD21 LEU 92 3HD2 LEU 92 12.006 -3.814 1.312 622 HD22 LEU 92 1HD2 LEU 92 10.555 -2.857 1.620 623 HD23 LEU 92 2HD2 LEU 92 10.851 -4.338 2.532 624 H ALA 93 H ALA 93 10.182 0.316 5.735 625 HA ALA 93 HA ALA 93 8.386 -0.873 7.572 626 HB1 ALA 93 1HB ALA 93 9.658 1.855 7.632 627 HB2 ALA 93 2HB ALA 93 10.351 0.384 8.314 628 HB3 ALA 93 3HB ALA 93 8.859 1.050 8.980 629 H THR 94 H THR 94 8.218 1.762 5.316 630 HA THR 94 HA THR 94 5.787 2.739 6.312 631 HB THR 94 HB THR 94 7.056 3.116 3.579 632 HG1 THR 94 1HG THR 94 8.381 3.905 5.228 633 HG21 THR 94 3HG2 THR 94 4.680 3.718 3.533 634 HG22 THR 94 1HG2 THR 94 5.676 5.167 3.442 635 HG23 THR 94 2HG2 THR 94 4.892 4.730 4.962 636 H GLY 95 H GLY 95 6.751 0.535 3.752 637 HA2 GLY 95 2HA GLY 95 4.239 0.101 2.585 638 HA3 GLY 95 1HA GLY 95 5.671 -0.904 2.423 639 H ASP 96 H ASP 96 5.969 -1.483 5.221 640 HA ASP 96 HA ASP 96 4.222 -3.701 5.345 641 HB2 ASP 96 2HB ASP 96 6.499 -3.655 6.381 642 HB3 ASP 96 1HB ASP 96 5.873 -2.545 7.598 643 H LEU 97 H LEU 97 4.367 -0.636 7.041 644 HA LEU 97 HA LEU 97 2.198 -1.179 8.748 645 HB2 LEU 97 2HB LEU 97 3.378 1.451 7.902 646 HB3 LEU 97 1HB LEU 97 2.170 1.267 9.159 647 HG LEU 97 HG LEU 97 4.971 0.154 9.203 648 HD11 LEU 97 1HD1 LEU 97 5.281 1.694 11.071 649 HD12 LEU 97 2HD1 LEU 97 3.658 2.331 10.807 650 HD13 LEU 97 3HD1 LEU 97 4.899 2.536 9.570 651 HD21 LEU 97 3HD2 LEU 97 2.728 -0.085 11.207 652 HD22 LEU 97 1HD2 LEU 97 4.409 -0.552 11.508 653 HD23 LEU 97 2HD2 LEU 97 3.462 -1.387 10.277 654 H LEU 98 H LEU 98 2.304 0.564 5.666 655 HA LEU 98 HA LEU 98 -0.475 1.057 5.770 656 HB2 LEU 98 2HB LEU 98 -0.323 1.702 3.402 657 HB3 LEU 98 1HB LEU 98 0.874 2.492 4.405 658 HG LEU 98 HG LEU 98 2.347 0.587 3.692 659 HD11 LEU 98 1HD1 LEU 98 1.986 -0.122 1.303 660 HD12 LEU 98 2HD1 LEU 98 0.325 0.482 1.471 661 HD13 LEU 98 3HD1 LEU 98 0.898 -0.826 2.496 662 HD21 LEU 98 3HD2 LEU 98 1.683 2.855 1.821 663 HD22 LEU 98 1HD2 LEU 98 3.163 1.900 1.720 664 HD23 LEU 98 2HD2 LEU 98 2.835 2.875 3.153 665 H LEU 99 H LEU 99 1.387 -1.691 4.754 666 HA LEU 99 HA LEU 99 -0.637 -2.901 3.199 667 HB2 LEU 99 2HB LEU 99 1.942 -3.492 3.521 668 HB3 LEU 99 1HB LEU 99 1.341 -4.494 4.815 669 HG LEU 99 HG LEU 99 0.669 -4.787 1.878 670 HD11 LEU 99 1HD1 LEU 99 2.930 -5.437 2.379 671 HD12 LEU 99 2HD1 LEU 99 1.942 -6.852 2.013 672 HD13 LEU 99 3HD1 LEU 99 2.365 -6.482 3.683 673 HD21 LEU 99 3HD2 LEU 99 -0.467 -6.841 2.475 674 HD22 LEU 99 1HD2 LEU 99 -1.207 -5.482 3.313 675 HD23 LEU 99 2HD2 LEU 99 -0.123 -6.571 4.185 676 H LYS 100 H LYS 100 0.252 -2.786 6.548 677 HA LYS 100 HA LYS 100 -1.713 -4.559 7.486 678 HB2 LYS 100 2HB LYS 100 -0.286 -2.310 8.911 679 HB3 LYS 100 1HB LYS 100 -1.258 -3.547 9.695 680 HG2 LYS 100 2HG LYS 100 0.303 -5.265 8.952 681 HG3 LYS 100 1HG LYS 100 1.238 -4.045 8.093 682 HD2 LYS 100 2HD LYS 100 2.440 -4.387 10.058 683 HD3 LYS 100 1HD LYS 100 1.539 -2.919 10.364 684 HE2 LYS 100 2HE LYS 100 0.767 -5.687 11.344 685 HE3 LYS 100 1HE LYS 100 1.544 -4.446 12.311 686 HZ1 LYS 100 3HZ LYS 100 -0.772 -4.454 12.807 687 HZ2 LYS 100 1HZ LYS 100 -1.212 -4.380 11.191 688 HZ3 LYS 100 2HZ LYS 100 -0.484 -3.062 11.918 689 H ASP 101 H ASP 101 -1.558 -1.127 6.707 690 HA ASP 101 HA ASP 101 -4.056 -0.504 7.863 691 HB2 ASP 101 2HB ASP 101 -2.472 0.933 5.738 692 HB3 ASP 101 1HB ASP 101 -4.090 1.455 6.157 693 H LEU 102 H LEU 102 -3.119 -1.599 4.696 694 HA LEU 102 HA LEU 102 -5.539 -1.426 3.333 695 HB2 LEU 102 2HB LEU 102 -3.409 -3.555 3.077 696 HB3 LEU 102 1HB LEU 102 -4.704 -3.301 1.931 697 HG LEU 102 HG LEU 102 -2.497 -1.316 2.523 698 HD11 LEU 102 1HD1 LEU 102 -2.902 -3.143 0.163 699 HD12 LEU 102 2HD1 LEU 102 -1.669 -3.329 1.408 700 HD13 LEU 102 3HD1 LEU 102 -1.632 -1.932 0.331 701 HD21 LEU 102 3HD2 LEU 102 -4.609 -1.337 0.367 702 HD22 LEU 102 1HD2 LEU 102 -3.313 -0.162 0.535 703 HD23 LEU 102 2HD2 LEU 102 -4.583 -0.246 1.757 704 H LYS 103 H LYS 103 -4.250 -4.113 5.252 705 HA LYS 103 HA LYS 103 -6.582 -5.690 4.866 706 HB2 LYS 103 2HB LYS 103 -4.300 -6.025 6.800 707 HB3 LYS 103 1HB LYS 103 -5.598 -7.196 6.595 708 HG2 LYS 103 2HG LYS 103 -4.989 -7.437 4.236 709 HG3 LYS 103 1HG LYS 103 -3.662 -6.303 4.474 710 HD2 LYS 103 2HD LYS 103 -2.634 -7.814 6.068 711 HD3 LYS 103 1HD LYS 103 -3.989 -8.940 5.905 712 HE2 LYS 103 2HE LYS 103 -3.471 -9.183 3.516 713 HE3 LYS 103 1HE LYS 103 -2.098 -8.100 3.710 714 HZ1 LYS 103 3HZ LYS 103 -2.432 -10.760 4.995 715 HZ2 LYS 103 1HZ LYS 103 -1.108 -9.726 5.236 716 HZ3 LYS 103 2HZ LYS 103 -1.404 -10.366 3.722 717 H ALA 104 H ALA 104 -5.619 -3.429 7.347 718 HA ALA 104 HA ALA 104 -7.610 -4.211 9.207 719 HB1 ALA 104 1HB ALA 104 -7.089 -2.103 10.341 720 HB2 ALA 104 2HB ALA 104 -6.132 -1.592 8.948 721 HB3 ALA 104 3HB ALA 104 -5.616 -2.969 9.913 722 H LEU 105 H LEU 105 -7.402 -1.874 6.584 723 HA LEU 105 HA LEU 105 -9.873 -0.705 7.230 724 HB2 LEU 105 2HB LEU 105 -9.631 0.691 5.392 725 HB3 LEU 105 1HB LEU 105 -7.966 0.283 5.717 726 HG LEU 105 HG LEU 105 -8.541 -1.610 3.920 727 HD11 LEU 105 1HD1 LEU 105 -10.310 0.681 3.143 728 HD12 LEU 105 2HD1 LEU 105 -10.795 -0.970 3.550 729 HD13 LEU 105 3HD1 LEU 105 -9.853 -0.661 2.092 730 HD21 LEU 105 3HD2 LEU 105 -7.844 1.209 3.158 731 HD22 LEU 105 1HD2 LEU 105 -7.439 -0.243 2.258 732 HD23 LEU 105 2HD2 LEU 105 -6.700 0.070 3.844 733 H GLN 106 H GLN 106 -8.785 -3.388 5.315 734 HA GLN 106 HA GLN 106 -11.113 -3.862 3.804 735 HB2 GLN 106 2HB GLN 106 -8.959 -4.936 3.292 736 HB3 GLN 106 1HB GLN 106 -8.992 -5.748 4.844 737 HG2 GLN 106 2HG GLN 106 -10.999 -6.973 4.136 738 HG3 GLN 106 1HG GLN 106 -10.878 -6.186 2.559 739 HE21 GLN 106 1HE2 GLN 106 -9.310 -6.834 1.137 740 HE22 GLN 106 2HE2 GLN 106 -8.360 -8.254 1.365 741 H LYS 107 H LYS 107 -10.147 -4.909 6.968 742 HA LYS 107 HA LYS 107 -12.504 -6.433 7.361 743 HB2 LYS 107 2HB LYS 107 -10.116 -5.820 8.814 744 HB3 LYS 107 1HB LYS 107 -11.507 -5.577 9.858 745 HG2 LYS 107 2HG LYS 107 -10.529 -7.813 10.001 746 HG3 LYS 107 1HG LYS 107 -12.235 -7.822 9.536 747 HD2 LYS 107 2HD LYS 107 -11.020 -9.485 8.246 748 HD3 LYS 107 1HD LYS 107 -11.499 -8.184 7.168 749 HE2 LYS 107 2HE LYS 107 -9.255 -7.264 7.236 750 HE3 LYS 107 1HE LYS 107 -8.772 -8.466 8.427 751 HZ1 LYS 107 3HZ LYS 107 -8.049 -9.121 6.207 752 HZ2 LYS 107 1HZ LYS 107 -9.639 -9.072 5.639 753 HZ3 LYS 107 2HZ LYS 107 -9.189 -10.188 6.801 754 H ARG 108 H ARG 108 -11.709 -3.088 7.970 755 HA ARG 108 HA ARG 108 -14.064 -2.479 9.458 756 HB2 ARG 108 2HB ARG 108 -12.233 -0.645 7.874 757 HB3 ARG 108 1HB ARG 108 -13.512 -0.096 8.940 758 HG2 ARG 108 2HG ARG 108 -12.348 -1.196 10.832 759 HG3 ARG 108 1HG ARG 108 -11.029 -1.601 9.734 760 HD2 ARG 108 2HD ARG 108 -11.989 1.209 10.288 761 HD3 ARG 108 1HD ARG 108 -10.634 0.448 11.107 762 HE ARG 108 HE ARG 108 -9.531 0.334 8.931 763 HH11 ARG 108 1HH1 ARG 108 -12.210 2.657 9.238 764 HH12 ARG 108 2HH1 ARG 108 -11.566 3.757 8.137 765 HH21 ARG 108 1HH2 ARG 108 -8.623 1.924 7.469 766 HH22 ARG 108 2HH2 ARG 108 -9.458 3.353 7.089 767 H VAL 109 H VAL 109 -13.133 -2.229 6.103 768 HA VAL 109 HA VAL 109 -15.511 -1.104 5.235 769 HB VAL 109 HB VAL 109 -13.295 -2.516 3.778 770 HG11 VAL 109 1HG1 VAL 109 -15.327 -2.669 2.427 771 HG12 VAL 109 2HG1 VAL 109 -14.191 -1.527 1.703 772 HG13 VAL 109 3HG1 VAL 109 -15.592 -0.933 2.596 773 HG21 VAL 109 3HG2 VAL 109 -12.667 -0.489 4.855 774 HG22 VAL 109 1HG2 VAL 109 -14.035 0.358 4.135 775 HG23 VAL 109 2HG2 VAL 109 -12.732 -0.231 3.108 776 H GLN 110 H GLN 110 -14.325 -4.406 5.398 777 HA GLN 110 HA GLN 110 -16.408 -5.765 4.214 778 HB2 GLN 110 2HB GLN 110 -14.346 -6.836 4.807 779 HB3 GLN 110 1HB GLN 110 -14.566 -6.431 6.489 780 HG2 GLN 110 2HG GLN 110 -14.853 -8.744 6.189 781 HG3 GLN 110 1HG GLN 110 -16.393 -8.029 6.620 782 HE21 GLN 110 1HE2 GLN 110 -17.214 -7.159 3.977 783 HE22 GLN 110 2HE2 GLN 110 -17.474 -8.551 3.032 784 H ASP 111 H ASP 111 -15.892 -4.521 7.405 785 HA ASP 111 HA ASP 111 -18.147 -5.488 8.641 786 HB2 ASP 111 2HB ASP 111 -16.364 -4.820 10.022 787 HB3 ASP 111 1HB ASP 111 -16.240 -3.253 9.251 788 H SER 112 H SER 112 -17.591 -2.704 6.608 789 HA SER 112 HA SER 112 -19.825 -1.204 7.506 790 HB2 SER 112 2HB SER 112 -18.171 -0.862 5.017 791 HB3 SER 112 1HB SER 112 -19.248 0.338 5.738 792 HG SER 112 HG SER 112 -17.326 -0.763 7.394 793 H GLU 113 H GLU 113 -19.485 -3.731 5.047 794 HA GLU 113 HA GLU 113 -21.874 -2.736 3.823 795 HB2 GLU 113 2HB GLU 113 -21.770 -4.558 2.172 796 HB3 GLU 113 1HB GLU 113 -20.299 -3.623 2.211 797 HG2 GLU 113 2HG GLU 113 -19.194 -5.442 3.423 798 HG3 GLU 113 1HG GLU 113 -20.712 -6.345 3.421 Start of MODEL 4 1 H1 ASN 18 1HT ASN 18 10.185 12.703 2.282 2 H2 ASN 18 2HT ASN 18 11.277 13.434 1.264 3 H3 ASN 18 3HT ASN 18 11.648 13.341 2.888 4 HA ASN 18 HA ASN 18 12.906 11.735 1.641 5 HB2 ASN 18 2HB ASN 18 10.603 10.292 2.987 6 HB3 ASN 18 1HB ASN 18 12.182 9.614 2.640 7 HD21 ASN 18 1HD2 ASN 18 10.855 9.727 5.131 8 HD22 ASN 18 2HD2 ASN 18 11.819 10.668 6.202 9 H THR 19 H THR 19 13.060 10.680 -0.222 10 HA THR 19 HA THR 19 11.021 10.889 -2.131 11 HB THR 19 HB THR 19 13.513 9.179 -2.190 12 HG1 THR 19 1HG THR 19 14.348 11.172 -3.199 13 HG21 THR 19 3HG2 THR 19 13.411 9.599 -4.618 14 HG22 THR 19 1HG2 THR 19 11.936 10.542 -4.398 15 HG23 THR 19 2HG2 THR 19 11.937 8.811 -4.063 16 H ALA 20 H ALA 20 12.122 8.359 -0.012 17 HA ALA 20 HA ALA 20 10.832 6.128 -1.131 18 HB1 ALA 20 1HB ALA 20 11.030 5.209 1.166 19 HB2 ALA 20 2HB ALA 20 11.559 6.799 1.711 20 HB3 ALA 20 3HB ALA 20 12.531 5.896 0.546 21 H THR 21 H THR 21 9.803 8.408 1.399 22 HA THR 21 HA THR 21 7.310 7.247 1.876 23 HB THR 21 HB THR 21 7.960 10.087 2.234 24 HG1 THR 21 1HG THR 21 8.898 8.263 4.199 25 HG21 THR 21 3HG2 THR 21 6.845 9.726 4.438 26 HG22 THR 21 1HG2 THR 21 6.640 8.025 4.024 27 HG23 THR 21 2HG2 THR 21 5.814 9.267 3.083 28 H GLN 22 H GLN 22 8.498 9.883 -0.192 29 HA GLN 22 HA GLN 22 6.025 10.892 -1.060 30 HB2 GLN 22 2HB GLN 22 8.297 11.997 -1.295 31 HB3 GLN 22 1HB GLN 22 8.657 10.866 -2.580 32 HG2 GLN 22 2HG GLN 22 6.353 12.811 -2.703 33 HG3 GLN 22 1HG GLN 22 7.970 13.203 -3.264 34 HE21 GLN 22 1HE2 GLN 22 5.412 13.044 -4.684 35 HE22 GLN 22 2HE2 GLN 22 5.663 11.916 -5.962 36 H ARG 23 H ARG 23 8.114 8.359 -2.272 37 HA ARG 23 HA ARG 23 6.690 7.650 -4.555 38 HB2 ARG 23 2HB ARG 23 8.969 6.903 -4.162 39 HB3 ARG 23 1HB ARG 23 8.465 5.995 -2.751 40 HG2 ARG 23 2HG ARG 23 8.890 4.538 -4.662 41 HG3 ARG 23 1HG ARG 23 7.200 4.465 -4.164 42 HD2 ARG 23 2HD ARG 23 7.395 4.544 -6.595 43 HD3 ARG 23 1HD ARG 23 6.608 5.997 -5.984 44 HE ARG 23 HE ARG 23 9.413 6.339 -6.279 45 HH11 ARG 23 1HH1 ARG 23 6.371 6.297 -8.084 46 HH12 ARG 23 2HH1 ARG 23 6.951 7.267 -9.365 47 HH21 ARG 23 1HH2 ARG 23 10.198 7.703 -8.036 48 HH22 ARG 23 2HH2 ARG 23 9.151 8.063 -9.333 49 H PHE 24 H PHE 24 6.306 6.647 -1.159 50 HA PHE 24 HA PHE 24 4.155 4.915 -2.079 51 HB2 PHE 24 2HB PHE 24 5.419 5.135 0.646 52 HB3 PHE 24 1HB PHE 24 3.985 4.165 0.332 53 HD1 PHE 24 1HD PHE 24 5.058 3.319 -2.558 54 HD2 PHE 24 2HD PHE 24 6.696 3.200 1.387 55 HE1 PHE 24 1HE PHE 24 6.449 1.430 -3.196 56 HE2 PHE 24 2HE PHE 24 8.095 1.304 0.719 57 HZ PHE 24 HZ PHE 24 7.975 0.415 -1.564 58 H HIS 25 H HIS 25 4.376 7.986 -1.375 59 HA HIS 25 HA HIS 25 1.941 8.428 0.047 60 HB2 HIS 25 2HB HIS 25 3.853 10.033 -0.045 61 HB3 HIS 25 1HB HIS 25 3.535 10.287 -1.747 62 HD1 HIS 25 1HD HIS 25 2.415 11.239 1.654 63 HD2 HIS 25 2HD HIS 25 1.309 11.968 -2.268 64 HE1 HIS 25 1HE HIS 25 0.967 13.284 1.737 65 HE2 HIS 25 2HE HIS 25 0.690 13.900 -0.649 66 H GLU 26 H GLU 26 2.851 7.775 -3.174 67 HA GLU 26 HA GLU 26 0.547 8.608 -4.598 68 HB2 GLU 26 2HB GLU 26 2.383 6.260 -5.159 69 HB3 GLU 26 1HB GLU 26 1.342 7.060 -6.326 70 HG2 GLU 26 2HG GLU 26 3.672 8.360 -4.922 71 HG3 GLU 26 1HG GLU 26 3.729 7.663 -6.537 72 H ILE 27 H ILE 27 1.536 5.635 -3.051 73 HA ILE 27 HA ILE 27 -0.841 4.177 -3.591 74 HB ILE 27 HB ILE 27 1.405 3.616 -1.600 75 HG12 ILE 27 2HG1 ILE 27 1.858 1.652 -3.129 76 HG13 ILE 27 1HG1 ILE 27 0.658 2.300 -4.228 77 HG21 ILE 27 1HG2 ILE 27 -0.639 2.656 -0.699 78 HG22 ILE 27 2HG2 ILE 27 0.434 1.377 -1.271 79 HG23 ILE 27 3HG2 ILE 27 -0.961 1.855 -2.235 80 HD11 ILE 27 3HD1 ILE 27 2.916 2.787 -4.962 81 HD12 ILE 27 1HD1 ILE 27 3.242 3.629 -3.445 82 HD13 ILE 27 2HD1 ILE 27 2.046 4.271 -4.570 83 H GLU 28 H GLU 28 0.278 6.178 -0.978 84 HA GLU 28 HA GLU 28 -1.790 5.799 0.845 85 HB2 GLU 28 2HB GLU 28 0.233 7.113 1.319 86 HB3 GLU 28 1HB GLU 28 -0.311 8.343 0.191 87 HG2 GLU 28 2HG GLU 28 -2.318 8.675 1.609 88 HG3 GLU 28 1HG GLU 28 -1.603 7.577 2.788 89 H LYS 29 H LYS 29 -1.637 7.792 -2.059 90 HA LYS 29 HA LYS 29 -4.143 9.009 -1.656 91 HB2 LYS 29 2HB LYS 29 -2.592 8.602 -4.198 92 HB3 LYS 29 1HB LYS 29 -4.095 9.517 -4.131 93 HG2 LYS 29 2HG LYS 29 -3.018 10.932 -2.371 94 HG3 LYS 29 1HG LYS 29 -1.502 10.120 -2.751 95 HD2 LYS 29 2HD LYS 29 -1.682 10.898 -5.064 96 HD3 LYS 29 1HD LYS 29 -3.201 11.705 -4.671 97 HE2 LYS 29 2HE LYS 29 -0.505 12.287 -3.477 98 HE3 LYS 29 1HE LYS 29 -1.370 13.295 -4.639 99 HZ1 LYS 29 3HZ LYS 29 -2.259 12.667 -1.873 100 HZ2 LYS 29 1HZ LYS 29 -3.115 13.602 -2.973 101 HZ3 LYS 29 2HZ LYS 29 -1.636 14.134 -2.392 102 H PHE 30 H PHE 30 -3.220 6.076 -3.352 103 HA PHE 30 HA PHE 30 -5.802 5.264 -4.153 104 HB2 PHE 30 2HB PHE 30 -3.414 3.676 -3.249 105 HB3 PHE 30 1HB PHE 30 -4.925 2.886 -3.663 106 HD1 PHE 30 2HD PHE 30 -2.134 4.902 -5.003 107 HD2 PHE 30 1HD PHE 30 -5.541 2.537 -5.903 108 HE1 PHE 30 2HE PHE 30 -1.450 4.839 -7.368 109 HE2 PHE 30 1HE PHE 30 -4.875 2.470 -8.276 110 HZ PHE 30 HZ PHE 30 -2.823 3.618 -9.009 111 H LEU 31 H LEU 31 -4.100 4.848 -1.153 112 HA LEU 31 HA LEU 31 -5.874 3.247 0.284 113 HB2 LEU 31 2HB LEU 31 -3.532 3.653 0.867 114 HB3 LEU 31 1HB LEU 31 -3.853 5.339 1.114 115 HG LEU 31 HG LEU 31 -3.360 4.105 3.170 116 HD11 LEU 31 1HD1 LEU 31 -6.139 5.222 3.141 117 HD12 LEU 31 2HD1 LEU 31 -4.639 6.109 3.404 118 HD13 LEU 31 3HD1 LEU 31 -5.166 4.901 4.575 119 HD21 LEU 31 3HD2 LEU 31 -4.281 1.972 2.615 120 HD22 LEU 31 1HD2 LEU 31 -5.913 2.641 2.613 121 HD23 LEU 31 2HD2 LEU 31 -4.991 2.569 4.116 122 H LEU 32 H LEU 32 -5.637 6.804 0.246 123 HA LEU 32 HA LEU 32 -7.874 6.987 1.936 124 HB2 LEU 32 2HB LEU 32 -7.835 9.450 1.520 125 HB3 LEU 32 1HB LEU 32 -6.334 8.783 2.103 126 HG LEU 32 HG LEU 32 -5.625 8.810 -0.378 127 HD11 LEU 32 1HD1 LEU 32 -7.850 10.830 -0.474 128 HD12 LEU 32 2HD1 LEU 32 -7.769 9.315 -1.376 129 HD13 LEU 32 3HD1 LEU 32 -6.611 10.607 -1.709 130 HD21 LEU 32 3HD2 LEU 32 -5.918 11.349 1.212 131 HD22 LEU 32 1HD2 LEU 32 -4.827 11.118 -0.154 132 HD23 LEU 32 2HD2 LEU 32 -4.602 10.180 1.320 133 H HIS 33 H HIS 33 -7.514 7.045 -1.504 134 HA HIS 33 HA HIS 33 -10.150 7.785 -2.098 135 HB2 HIS 33 2HB HIS 33 -8.585 7.897 -3.897 136 HB3 HIS 33 1HB HIS 33 -8.095 6.226 -3.674 137 HD1 HIS 33 1HD HIS 33 -8.768 5.058 -5.717 138 HD2 HIS 33 2HD HIS 33 -11.766 7.619 -4.439 139 HE1 HIS 33 1HE HIS 33 -10.711 4.632 -7.234 140 HE2 HIS 33 2HE HIS 33 -12.569 5.813 -6.135 141 H ILE 34 H ILE 34 -8.705 4.565 -1.466 142 HA ILE 34 HA ILE 34 -10.979 3.119 -2.154 143 HB ILE 34 HB ILE 34 -8.635 2.489 -0.333 144 HG12 ILE 34 2HG1 ILE 34 -9.258 1.391 -3.066 145 HG13 ILE 34 1HG1 ILE 34 -8.324 2.862 -2.824 146 HG21 ILE 34 1HG2 ILE 34 -10.761 0.584 -1.305 147 HG22 ILE 34 2HG2 ILE 34 -10.550 1.123 0.357 148 HG23 ILE 34 3HG2 ILE 34 -9.298 0.150 -0.421 149 HD11 ILE 34 3HD1 ILE 34 -7.625 0.201 -1.658 150 HD12 ILE 34 1HD1 ILE 34 -6.639 1.649 -1.640 151 HD13 ILE 34 2HD1 ILE 34 -6.954 0.819 -3.174 152 H THR 35 H THR 35 -9.906 4.419 0.955 153 HA THR 35 HA THR 35 -12.018 3.408 2.500 154 HB THR 35 HB THR 35 -10.610 6.011 2.937 155 HG1 THR 35 1HG THR 35 -8.891 4.551 2.663 156 HG21 THR 35 3HG2 THR 35 -12.400 5.481 4.522 157 HG22 THR 35 1HG2 THR 35 -10.831 5.424 5.326 158 HG23 THR 35 2HG2 THR 35 -11.644 3.925 4.873 159 H HIS 36 H HIS 36 -11.623 6.522 0.791 160 HA HIS 36 HA HIS 36 -14.121 7.631 1.551 161 HB2 HIS 36 2HB HIS 36 -12.178 8.939 0.628 162 HB3 HIS 36 1HB HIS 36 -12.553 8.277 -0.954 163 HD1 HIS 36 1HD HIS 36 -14.446 9.419 -2.288 164 HD2 HIS 36 2HD HIS 36 -14.209 10.726 1.653 165 HE1 HIS 36 1HE HIS 36 -15.955 11.373 -2.132 166 HE2 HIS 36 2HE HIS 36 -16.006 11.952 0.295 167 H GLU 37 H GLU 37 -13.128 5.521 -1.045 168 HA GLU 37 HA GLU 37 -15.415 5.673 -2.604 169 HB2 GLU 37 2HB GLU 37 -13.074 4.608 -3.030 170 HB3 GLU 37 1HB GLU 37 -13.775 3.193 -2.260 171 HG2 GLU 37 2HG GLU 37 -14.029 2.894 -4.551 172 HG3 GLU 37 1HG GLU 37 -15.621 3.353 -3.929 173 H VAL 38 H VAL 38 -14.537 3.877 0.308 174 HA VAL 38 HA VAL 38 -16.684 2.074 0.333 175 HB VAL 38 HB VAL 38 -15.101 3.225 2.678 176 HG11 VAL 38 1HG1 VAL 38 -16.750 0.682 2.518 177 HG12 VAL 38 2HG1 VAL 38 -17.264 2.154 3.321 178 HG13 VAL 38 3HG1 VAL 38 -15.867 1.258 3.933 179 HG21 VAL 38 3HG2 VAL 38 -13.824 1.168 2.600 180 HG22 VAL 38 1HG2 VAL 38 -13.654 2.071 1.097 181 HG23 VAL 38 2HG2 VAL 38 -14.704 0.646 1.166 182 H ASP 39 H ASP 39 -16.165 5.314 1.571 183 HA ASP 39 HA ASP 39 -18.597 5.708 2.832 184 HB2 ASP 39 2HB ASP 39 -16.891 7.690 1.316 185 HB3 ASP 39 1HB ASP 39 -18.363 8.182 2.127 186 H ASP 40 H ASP 40 -17.672 6.089 -0.515 187 HA ASP 40 HA ASP 40 -20.018 7.385 -1.419 188 HB2 ASP 40 2HB ASP 40 -17.739 7.643 -2.401 189 HB3 ASP 40 1HB ASP 40 -17.813 5.999 -2.959 190 H LEU 41 H LEU 41 -18.758 4.117 -1.623 191 HA LEU 41 HA LEU 41 -20.890 3.277 -3.235 192 HB2 LEU 41 2HB LEU 41 -20.047 0.963 -2.849 193 HB3 LEU 41 1HB LEU 41 -18.889 2.073 -3.531 194 HG LEU 41 HG LEU 41 -18.024 2.315 -1.134 195 HD11 LEU 41 1HD1 LEU 41 -18.270 0.322 0.277 196 HD12 LEU 41 2HD1 LEU 41 -19.523 -0.270 -0.818 197 HD13 LEU 41 3HD1 LEU 41 -19.769 1.227 0.078 198 HD21 LEU 41 3HD2 LEU 41 -16.758 1.311 -2.895 199 HD22 LEU 41 1HD2 LEU 41 -17.642 -0.202 -2.709 200 HD23 LEU 41 2HD2 LEU 41 -16.571 0.353 -1.422 201 H GLU 42 H GLU 42 -20.303 3.376 0.164 202 HA GLU 42 HA GLU 42 -22.345 1.685 0.956 203 HB2 GLU 42 2HB GLU 42 -20.690 2.467 2.549 204 HB3 GLU 42 1HB GLU 42 -21.269 4.122 2.375 205 HG2 GLU 42 2HG GLU 42 -23.456 3.403 3.178 206 HG3 GLU 42 1HG GLU 42 -22.791 1.797 3.478 207 H LYS 43 H LYS 43 -22.361 5.176 0.142 208 HA LYS 43 HA LYS 43 -25.144 5.336 0.979 209 HB2 LYS 43 2HB LYS 43 -23.497 7.439 -0.448 210 HB3 LYS 43 1HB LYS 43 -25.059 7.690 0.320 211 HG2 LYS 43 2HG LYS 43 -22.410 7.128 1.633 212 HG3 LYS 43 1HG LYS 43 -23.412 8.567 1.779 213 HD2 LYS 43 2HD LYS 43 -25.147 7.193 2.904 214 HD3 LYS 43 1HD LYS 43 -24.056 5.808 2.821 215 HE2 LYS 43 2HE LYS 43 -22.379 7.169 4.092 216 HE3 LYS 43 1HE LYS 43 -23.631 8.386 4.323 217 HZ1 LYS 43 3HZ LYS 43 -23.530 5.623 5.371 218 HZ2 LYS 43 1HZ LYS 43 -24.977 6.524 5.386 219 HZ3 LYS 43 2HZ LYS 43 -23.646 7.073 6.230 220 H THR 44 H THR 44 -23.474 4.421 -1.605 221 HA THR 44 HA THR 44 -25.430 5.025 -3.647 222 HB THR 44 HB THR 44 -22.640 3.989 -3.478 223 HG1 THR 44 1HG THR 44 -22.441 6.004 -3.392 224 HG21 THR 44 3HG2 THR 44 -24.118 4.417 -6.068 225 HG22 THR 44 1HG2 THR 44 -23.637 2.844 -5.353 226 HG23 THR 44 2HG2 THR 44 -22.394 4.025 -5.789 227 H GLY 45 H GLY 45 -24.890 2.636 -1.339 228 HA2 GLY 45 2HA GLY 45 -26.508 0.883 -1.140 229 HA3 GLY 45 1HA GLY 45 -26.492 0.724 -2.890 230 H ASN 46 H ASN 46 -23.894 0.511 -3.531 231 HA ASN 46 HA ASN 46 -22.114 -0.883 -3.694 232 HB2 ASN 46 2HB ASN 46 -21.497 -0.502 -1.388 233 HB3 ASN 46 1HB ASN 46 -22.746 -1.617 -0.834 234 HD21 ASN 46 1HD2 ASN 46 -21.473 -3.122 0.080 235 HD22 ASN 46 2HD2 ASN 46 -20.408 -4.145 -0.822 236 H LYS 47 H LYS 47 -23.687 -1.745 -5.194 237 HA LYS 47 HA LYS 47 -24.587 -4.279 -4.411 238 HB2 LYS 47 2HB LYS 47 -24.374 -3.182 -7.217 239 HB3 LYS 47 1HB LYS 47 -25.093 -4.736 -6.820 240 HG2 LYS 47 2HG LYS 47 -26.081 -2.015 -5.970 241 HG3 LYS 47 1HG LYS 47 -26.840 -3.106 -7.130 242 HD2 LYS 47 2HD LYS 47 -27.121 -4.768 -5.299 243 HD3 LYS 47 1HD LYS 47 -26.478 -3.577 -4.168 244 HE2 LYS 47 2HE LYS 47 -28.869 -3.527 -4.028 245 HE3 LYS 47 1HE LYS 47 -28.322 -2.050 -4.819 246 HZ1 LYS 47 3HZ LYS 47 -28.879 -3.060 -6.963 247 HZ2 LYS 47 1HZ LYS 47 -30.221 -2.987 -5.948 248 HZ3 LYS 47 2HZ LYS 47 -29.410 -4.447 -6.188 249 H ASP 48 H ASP 48 -21.794 -3.280 -6.149 250 HA ASP 48 HA ASP 48 -20.598 -5.899 -5.581 251 HB2 ASP 48 2HB ASP 48 -21.680 -6.187 -7.748 252 HB3 ASP 48 1HB ASP 48 -20.861 -4.769 -8.376 253 H GLU 49 H GLU 49 -20.287 -2.543 -5.956 254 HA GLU 49 HA GLU 49 -17.646 -2.223 -6.877 255 HB2 GLU 49 2HB GLU 49 -19.418 -0.489 -6.891 256 HB3 GLU 49 1HB GLU 49 -19.349 -0.452 -5.143 257 HG2 GLU 49 2HG GLU 49 -18.163 1.417 -6.120 258 HG3 GLU 49 1HG GLU 49 -17.078 0.354 -5.218 259 H LYS 50 H LYS 50 -18.915 -2.557 -3.612 260 HA LYS 50 HA LYS 50 -16.448 -1.888 -2.443 261 HB2 LYS 50 2HB LYS 50 -18.667 -2.032 -1.325 262 HB3 LYS 50 1HB LYS 50 -18.478 -3.743 -1.284 263 HG2 LYS 50 2HG LYS 50 -16.531 -3.621 0.123 264 HG3 LYS 50 1HG LYS 50 -16.460 -1.868 -0.054 265 HD2 LYS 50 2HD LYS 50 -17.495 -2.093 2.003 266 HD3 LYS 50 1HD LYS 50 -18.788 -1.915 0.798 267 HE2 LYS 50 2HE LYS 50 -19.352 -3.653 2.438 268 HE3 LYS 50 1HE LYS 50 -19.242 -4.262 0.790 269 HZ1 LYS 50 3HZ LYS 50 -18.199 -5.785 2.233 270 HZ2 LYS 50 1HZ LYS 50 -17.199 -4.596 2.940 271 HZ3 LYS 50 2HZ LYS 50 -17.030 -5.079 1.304 272 H ALA 51 H ALA 51 -17.864 -4.968 -3.027 273 HA ALA 51 HA ALA 51 -15.729 -6.619 -2.251 274 HB1 ALA 51 1HB ALA 51 -16.685 -8.372 -3.666 275 HB2 ALA 51 2HB ALA 51 -17.657 -7.162 -4.509 276 HB3 ALA 51 3HB ALA 51 -17.957 -7.502 -2.807 277 H ARG 52 H ARG 52 -16.336 -5.121 -5.373 278 HA ARG 52 HA ARG 52 -14.096 -6.209 -6.722 279 HB2 ARG 52 2HB ARG 52 -16.153 -5.125 -7.734 280 HB3 ARG 52 1HB ARG 52 -15.457 -3.580 -7.283 281 HG2 ARG 52 2HG ARG 52 -13.487 -4.119 -8.690 282 HG3 ARG 52 1HG ARG 52 -14.320 -5.583 -9.215 283 HD2 ARG 52 2HD ARG 52 -15.201 -2.738 -9.614 284 HD3 ARG 52 1HD ARG 52 -14.692 -3.878 -10.859 285 HE ARG 52 HE ARG 52 -16.828 -5.060 -9.603 286 HH11 ARG 52 1HH1 ARG 52 -16.330 -2.034 -11.384 287 HH12 ARG 52 2HH1 ARG 52 -17.941 -1.910 -11.894 288 HH21 ARG 52 1HH2 ARG 52 -18.967 -4.881 -10.210 289 HH22 ARG 52 2HH2 ARG 52 -19.530 -3.599 -11.208 290 H LEU 53 H LEU 53 -14.676 -3.090 -5.038 291 HA LEU 53 HA LEU 53 -12.231 -1.923 -5.394 292 HB2 LEU 53 2HB LEU 53 -14.112 -0.710 -4.649 293 HB3 LEU 53 1HB LEU 53 -14.320 -1.752 -3.256 294 HG LEU 53 HG LEU 53 -12.156 -1.084 -2.562 295 HD11 LEU 53 1HD1 LEU 53 -12.553 1.126 -4.615 296 HD12 LEU 53 2HD1 LEU 53 -11.226 -0.034 -4.548 297 HD13 LEU 53 3HD1 LEU 53 -11.354 1.238 -3.330 298 HD21 LEU 53 3HD2 LEU 53 -14.348 0.972 -2.585 299 HD22 LEU 53 1HD2 LEU 53 -12.953 1.071 -1.511 300 HD23 LEU 53 2HD2 LEU 53 -14.062 -0.294 -1.391 301 H LEU 54 H LEU 54 -13.344 -4.184 -2.901 302 HA LEU 54 HA LEU 54 -11.006 -4.043 -1.340 303 HB2 LEU 54 2HB LEU 54 -12.947 -6.341 -1.627 304 HB3 LEU 54 1HB LEU 54 -11.688 -6.249 -0.410 305 HG LEU 54 HG LEU 54 -14.071 -4.423 -0.658 306 HD11 LEU 54 1HD1 LEU 54 -13.347 -6.462 1.432 307 HD12 LEU 54 2HD1 LEU 54 -14.618 -6.616 0.219 308 HD13 LEU 54 3HD1 LEU 54 -14.740 -5.380 1.474 309 HD21 LEU 54 3HD2 LEU 54 -12.168 -3.135 0.128 310 HD22 LEU 54 1HD2 LEU 54 -11.793 -4.375 1.326 311 HD23 LEU 54 2HD2 LEU 54 -13.275 -3.435 1.454 312 H ARG 55 H ARG 55 -11.866 -5.914 -4.101 313 HA ARG 55 HA ARG 55 -9.474 -7.504 -4.109 314 HB2 ARG 55 2HB ARG 55 -11.516 -8.150 -5.385 315 HB3 ARG 55 1HB ARG 55 -11.234 -6.798 -6.475 316 HG2 ARG 55 2HG ARG 55 -9.094 -7.793 -7.139 317 HG3 ARG 55 1HG ARG 55 -9.403 -9.150 -6.057 318 HD2 ARG 55 2HD ARG 55 -11.462 -9.639 -7.342 319 HD3 ARG 55 1HD ARG 55 -11.024 -8.349 -8.463 320 HE ARG 55 HE ARG 55 -8.885 -10.128 -8.158 321 HH11 ARG 55 1HH1 ARG 55 -11.991 -9.827 -9.824 322 HH12 ARG 55 2HH1 ARG 55 -11.667 -11.048 -10.955 323 HH21 ARG 55 1HH2 ARG 55 -8.449 -11.833 -9.720 324 HH22 ARG 55 2HH2 ARG 55 -9.621 -12.237 -10.870 325 H GLU 56 H GLU 56 -10.403 -4.440 -5.494 326 HA GLU 56 HA GLU 56 -8.179 -3.817 -7.074 327 HB2 GLU 56 2HB GLU 56 -10.278 -2.562 -7.105 328 HB3 GLU 56 1HB GLU 56 -10.051 -2.104 -5.430 329 HG2 GLU 56 2HG GLU 56 -9.560 -0.215 -6.692 330 HG3 GLU 56 1HG GLU 56 -8.023 -0.846 -6.146 331 H LEU 57 H LEU 57 -8.860 -3.274 -3.624 332 HA LEU 57 HA LEU 57 -6.403 -1.952 -3.235 333 HB2 LEU 57 2HB LEU 57 -6.952 -1.734 -0.927 334 HB3 LEU 57 1HB LEU 57 -8.437 -1.559 -1.832 335 HG LEU 57 HG LEU 57 -8.909 -3.992 -1.164 336 HD11 LEU 57 1HD1 LEU 57 -6.806 -3.292 0.863 337 HD12 LEU 57 2HD1 LEU 57 -6.659 -4.507 -0.403 338 HD13 LEU 57 3HD1 LEU 57 -7.851 -4.719 0.887 339 HD21 LEU 57 3HD2 LEU 57 -9.819 -3.267 0.976 340 HD22 LEU 57 1HD2 LEU 57 -10.101 -2.066 -0.284 341 HD23 LEU 57 2HD2 LEU 57 -8.823 -1.815 0.905 342 H THR 58 H THR 58 -7.433 -5.227 -3.099 343 HA THR 58 HA THR 58 -5.240 -6.249 -1.721 344 HB THR 58 HB THR 58 -6.887 -7.643 -3.860 345 HG1 THR 58 1HG THR 58 -8.100 -6.748 -2.087 346 HG21 THR 58 3HG2 THR 58 -5.262 -8.771 -1.566 347 HG22 THR 58 1HG2 THR 58 -4.831 -8.867 -3.272 348 HG23 THR 58 2HG2 THR 58 -6.258 -9.713 -2.676 349 H VAL 59 H VAL 59 -5.855 -5.607 -5.128 350 HA VAL 59 HA VAL 59 -3.371 -6.483 -6.161 351 HB VAL 59 HB VAL 59 -5.207 -4.303 -7.241 352 HG11 VAL 59 1HG1 VAL 59 -2.985 -4.194 -8.229 353 HG12 VAL 59 2HG1 VAL 59 -4.161 -4.778 -9.413 354 HG13 VAL 59 3HG1 VAL 59 -3.063 -5.910 -8.627 355 HG21 VAL 59 3HG2 VAL 59 -6.131 -6.035 -8.703 356 HG22 VAL 59 1HG2 VAL 59 -6.376 -6.437 -7.004 357 HG23 VAL 59 2HG2 VAL 59 -5.105 -7.239 -7.930 358 H SER 60 H SER 60 -4.554 -3.451 -4.862 359 HA SER 60 HA SER 60 -2.315 -1.869 -5.367 360 HB2 SER 60 2HB SER 60 -4.249 -1.634 -3.045 361 HB3 SER 60 1HB SER 60 -3.176 -0.360 -3.625 362 HG SER 60 HG SER 60 -5.218 -1.580 -5.223 363 H GLU 61 H GLU 61 -3.121 -3.790 -2.576 364 HA GLU 61 HA GLU 61 -0.801 -3.384 -1.051 365 HB2 GLU 61 2HB GLU 61 -2.410 -5.953 -1.231 366 HB3 GLU 61 1HB GLU 61 -1.182 -5.624 -0.033 367 HG2 GLU 61 2HG GLU 61 -2.625 -3.698 0.730 368 HG3 GLU 61 1HG GLU 61 -3.896 -4.360 -0.306 369 H ALA 62 H ALA 62 -1.438 -5.471 -3.769 370 HA ALA 62 HA ALA 62 0.882 -7.040 -3.469 371 HB1 ALA 62 1HB ALA 62 0.385 -8.005 -5.605 372 HB2 ALA 62 2HB ALA 62 -0.720 -6.684 -5.989 373 HB3 ALA 62 3HB ALA 62 -1.117 -7.817 -4.700 374 H PHE 63 H PHE 63 0.344 -4.118 -5.464 375 HA PHE 63 HA PHE 63 2.967 -4.596 -6.529 376 HB2 PHE 63 2HB PHE 63 2.704 -2.323 -7.712 377 HB3 PHE 63 1HB PHE 63 1.648 -3.630 -8.216 378 HD1 PHE 63 1HD PHE 63 1.757 -0.691 -5.933 379 HD2 PHE 63 2HD PHE 63 -0.579 -3.257 -8.385 380 HE1 PHE 63 1HE PHE 63 -0.208 0.722 -5.542 381 HE2 PHE 63 2HE PHE 63 -2.538 -1.850 -7.998 382 HZ PHE 63 HZ PHE 63 -2.363 0.100 -6.545 383 H ILE 64 H ILE 64 1.621 -2.615 -4.045 384 HA ILE 64 HA ILE 64 4.026 -1.173 -3.701 385 HB ILE 64 HB ILE 64 1.754 -0.454 -2.825 386 HG12 ILE 64 2HG1 ILE 64 3.874 0.587 -2.086 387 HG13 ILE 64 1HG1 ILE 64 2.521 0.784 -0.981 388 HG21 ILE 64 1HG2 ILE 64 0.986 -1.202 -0.647 389 HG22 ILE 64 2HG2 ILE 64 2.262 -2.420 -0.644 390 HG23 ILE 64 3HG2 ILE 64 0.987 -2.487 -1.861 391 HD11 ILE 64 3HD1 ILE 64 4.882 -1.094 -0.632 392 HD12 ILE 64 1HD1 ILE 64 3.537 -0.948 0.496 393 HD13 ILE 64 2HD1 ILE 64 4.629 0.408 0.245 394 H GLU 65 H GLU 65 2.833 -4.255 -2.507 395 HA GLU 65 HA GLU 65 4.949 -4.731 -0.703 396 HB2 GLU 65 2HB GLU 65 2.740 -5.839 -0.679 397 HB3 GLU 65 1HB GLU 65 3.156 -6.659 -2.168 398 HG2 GLU 65 2HG GLU 65 4.944 -7.828 -1.016 399 HG3 GLU 65 1HG GLU 65 4.520 -6.987 0.483 400 H GLY 66 H GLY 66 4.437 -5.269 -4.140 401 HA2 GLY 66 2HA GLY 66 6.746 -6.814 -4.669 402 HA3 GLY 66 1HA GLY 66 5.872 -5.823 -5.835 403 H SER 67 H SER 67 6.154 -3.345 -4.507 404 HA SER 67 HA SER 67 8.747 -2.573 -5.342 405 HB2 SER 67 2HB SER 67 6.757 -1.046 -5.400 406 HB3 SER 67 1HB SER 67 6.751 -1.034 -3.638 407 HG SER 67 HG SER 67 8.849 -0.098 -3.729 408 H ARG 68 H ARG 68 7.231 -3.375 -2.321 409 HA ARG 68 HA ARG 68 9.394 -2.763 -0.679 410 HB2 ARG 68 2HB ARG 68 7.503 -3.086 0.617 411 HB3 ARG 68 1HB ARG 68 6.908 -4.346 -0.444 412 HG2 ARG 68 2HG ARG 68 8.514 -5.917 0.603 413 HG3 ARG 68 1HG ARG 68 8.979 -4.638 1.726 414 HD2 ARG 68 2HD ARG 68 6.849 -4.581 2.720 415 HD3 ARG 68 1HD ARG 68 6.112 -5.467 1.393 416 HE ARG 68 HE ARG 68 8.022 -7.119 2.512 417 HH11 ARG 68 1HH1 ARG 68 5.114 -5.517 3.719 418 HH12 ARG 68 2HH1 ARG 68 4.605 -6.842 4.669 419 HH21 ARG 68 1HH2 ARG 68 7.316 -8.933 3.839 420 HH22 ARG 68 2HH2 ARG 68 5.886 -8.788 4.769 421 H GLY 69 H GLY 69 8.527 -5.712 -2.334 422 HA2 GLY 69 2HA GLY 69 10.749 -7.226 -1.563 423 HA3 GLY 69 1HA GLY 69 9.816 -7.444 -3.041 424 H TYR 70 H TYR 70 10.412 -4.589 -3.726 425 HA TYR 70 HA TYR 70 12.713 -5.139 -5.386 426 HB2 TYR 70 2HB TYR 70 10.856 -3.667 -6.173 427 HB3 TYR 70 1HB TYR 70 11.241 -2.521 -4.904 428 HD1 TYR 70 1HD TYR 70 13.276 -1.078 -5.106 429 HD2 TYR 70 2HD TYR 70 12.144 -3.789 -8.200 430 HE1 TYR 70 1HE TYR 70 14.736 0.099 -6.676 431 HE2 TYR 70 2HE TYR 70 13.627 -2.607 -9.769 432 HH TYR 70 HH TYR 70 15.945 -0.346 -8.753 433 H PHE 71 H PHE 71 11.967 -3.112 -2.659 434 HA PHE 71 HA PHE 71 14.534 -2.032 -2.381 435 HB2 PHE 71 2HB PHE 71 12.189 -2.204 -0.511 436 HB3 PHE 71 1HB PHE 71 13.659 -1.384 -0.030 437 HD1 PHE 71 1HD PHE 71 14.517 0.221 -2.118 438 HD2 PHE 71 2HD PHE 71 10.501 -0.797 -1.191 439 HE1 PHE 71 1HE PHE 71 13.747 2.254 -3.267 440 HE2 PHE 71 2HE PHE 71 9.723 1.232 -2.345 441 HZ PHE 71 HZ PHE 71 11.342 2.757 -3.385 442 H GLN 72 H GLN 72 12.914 -4.750 -0.963 443 HA GLN 72 HA GLN 72 14.830 -5.715 0.808 444 HB2 GLN 72 2HB GLN 72 12.516 -6.537 0.553 445 HB3 GLN 72 1HB GLN 72 12.941 -7.218 -1.003 446 HG2 GLN 72 2HG GLN 72 14.525 -8.695 0.105 447 HG3 GLN 72 1HG GLN 72 13.997 -8.052 1.666 448 HE21 GLN 72 1HE2 GLN 72 13.170 -10.005 2.385 449 HE22 GLN 72 2HE2 GLN 72 11.753 -10.721 1.710 450 H ARG 73 H ARG 73 14.510 -6.200 -2.681 451 HA ARG 73 HA ARG 73 16.763 -7.920 -2.948 452 HB2 ARG 73 2HB ARG 73 14.966 -6.493 -4.821 453 HB3 ARG 73 1HB ARG 73 16.556 -6.920 -5.428 454 HG2 ARG 73 2HG ARG 73 14.842 -8.566 -5.962 455 HG3 ARG 73 1HG ARG 73 16.153 -9.240 -4.982 456 HD2 ARG 73 2HD ARG 73 14.687 -8.992 -3.003 457 HD3 ARG 73 1HD ARG 73 13.404 -8.424 -4.067 458 HE ARG 73 HE ARG 73 14.462 -10.950 -4.846 459 HH11 ARG 73 1HH1 ARG 73 12.097 -9.380 -2.716 460 HH12 ARG 73 2HH1 ARG 73 11.167 -10.782 -2.515 461 HH21 ARG 73 1HH2 ARG 73 13.200 -12.839 -4.551 462 HH22 ARG 73 2HH2 ARG 73 11.812 -12.794 -3.555 463 H GLU 74 H GLU 74 16.330 -4.488 -3.215 464 HA GLU 74 HA GLU 74 18.956 -3.974 -4.102 465 HB2 GLU 74 2HB GLU 74 17.169 -2.124 -2.515 466 HB3 GLU 74 1HB GLU 74 18.601 -1.642 -3.408 467 HG2 GLU 74 2HG GLU 74 16.101 -2.805 -4.601 468 HG3 GLU 74 1HG GLU 74 16.532 -1.102 -4.597 469 H LEU 75 H LEU 75 17.682 -4.490 -0.911 470 HA LEU 75 HA LEU 75 19.916 -3.635 0.554 471 HB2 LEU 75 2HB LEU 75 17.883 -5.765 1.181 472 HB3 LEU 75 1HB LEU 75 19.079 -5.194 2.325 473 HG LEU 75 HG LEU 75 16.917 -3.479 1.089 474 HD11 LEU 75 1HD1 LEU 75 15.981 -5.147 2.600 475 HD12 LEU 75 2HD1 LEU 75 15.918 -3.531 3.311 476 HD13 LEU 75 3HD1 LEU 75 17.143 -4.677 3.845 477 HD21 LEU 75 3HD2 LEU 75 18.856 -2.924 3.327 478 HD22 LEU 75 1HD2 LEU 75 17.580 -1.843 2.773 479 HD23 LEU 75 2HD2 LEU 75 18.937 -2.225 1.712 480 H LYS 76 H LYS 76 19.578 -6.397 -1.481 481 HA LYS 76 HA LYS 76 21.938 -7.583 -0.199 482 HB2 LYS 76 2HB LYS 76 21.298 -9.709 -1.330 483 HB3 LYS 76 1HB LYS 76 20.131 -9.157 -0.136 484 HG2 LYS 76 2HG LYS 76 18.693 -8.313 -1.867 485 HG3 LYS 76 1HG LYS 76 19.888 -8.713 -3.093 486 HD2 LYS 76 2HD LYS 76 18.550 -10.701 -1.294 487 HD3 LYS 76 1HD LYS 76 17.995 -10.300 -2.922 488 HE2 LYS 76 2HE LYS 76 20.217 -11.008 -3.800 489 HE3 LYS 76 1HE LYS 76 20.670 -11.502 -2.172 490 HZ1 LYS 76 3HZ LYS 76 19.899 -13.355 -3.511 491 HZ2 LYS 76 1HZ LYS 76 18.403 -12.597 -3.713 492 HZ3 LYS 76 2HZ LYS 76 18.880 -13.098 -2.184 493 H ARG 77 H ARG 77 21.002 -5.776 -2.731 494 HA ARG 77 HA ARG 77 22.205 -6.852 -5.011 495 HB2 ARG 77 2HB ARG 77 20.593 -4.941 -4.900 496 HB3 ARG 77 1HB ARG 77 21.914 -3.954 -4.289 497 HG2 ARG 77 2HG ARG 77 23.128 -4.211 -6.358 498 HG3 ARG 77 1HG ARG 77 21.880 -5.286 -6.985 499 HD2 ARG 77 2HD ARG 77 20.244 -3.519 -6.923 500 HD3 ARG 77 1HD ARG 77 21.383 -2.442 -6.128 501 HE ARG 77 HE ARG 77 22.482 -3.305 -8.545 502 HH11 ARG 77 1HH1 ARG 77 19.684 -1.356 -7.487 503 HH12 ARG 77 2HH1 ARG 77 19.883 -0.206 -8.710 504 HH21 ARG 77 1HH2 ARG 77 22.694 -1.702 -10.243 505 HH22 ARG 77 2HH2 ARG 77 21.604 -0.391 -10.304 506 H THR 78 H THR 78 23.532 -5.137 -2.301 507 HA THR 78 HA THR 78 25.615 -4.786 -1.549 508 HB THR 78 HB THR 78 26.711 -6.187 -4.022 509 HG1 THR 78 1HG THR 78 25.000 -7.306 -2.654 510 HG21 THR 78 3HG2 THR 78 28.548 -6.833 -2.514 511 HG22 THR 78 1HG2 THR 78 27.751 -6.002 -1.177 512 HG23 THR 78 2HG2 THR 78 28.371 -5.076 -2.539 513 H ASP 79 H ASP 79 24.390 -3.557 -4.304 514 HA ASP 79 HA ASP 79 26.473 -1.594 -4.870 515 HB2 ASP 79 2HB ASP 79 23.824 -2.238 -6.160 516 HB3 ASP 79 1HB ASP 79 24.708 -0.777 -6.552 517 H LEU 80 H LEU 80 25.329 -1.473 -2.310 518 HA LEU 80 HA LEU 80 24.112 1.208 -2.255 519 HB2 LEU 80 2HB LEU 80 22.332 0.558 -0.865 520 HB3 LEU 80 1HB LEU 80 22.273 -0.621 -2.154 521 HG LEU 80 HG LEU 80 23.603 -1.148 0.488 522 HD11 LEU 80 1HD1 LEU 80 21.569 -2.284 1.173 523 HD12 LEU 80 2HD1 LEU 80 20.787 -1.837 -0.337 524 HD13 LEU 80 3HD1 LEU 80 21.226 -0.587 0.832 525 HD21 LEU 80 3HD2 LEU 80 24.255 -2.681 -1.265 526 HD22 LEU 80 1HD2 LEU 80 22.561 -2.974 -1.675 527 HD23 LEU 80 2HD2 LEU 80 23.190 -3.498 -0.118 528 H ASP 81 H ASP 81 24.391 2.153 -0.535 529 HA ASP 81 HA ASP 81 26.419 1.154 1.317 530 HB2 ASP 81 2HB ASP 81 27.152 3.212 0.102 531 HB3 ASP 81 1HB ASP 81 25.642 4.005 0.518 532 H LEU 82 H LEU 82 25.874 2.334 3.562 533 HA LEU 82 HA LEU 82 23.348 1.576 4.359 534 HB2 LEU 82 2HB LEU 82 25.063 3.744 5.582 535 HB3 LEU 82 1HB LEU 82 23.693 2.988 6.354 536 HG LEU 82 HG LEU 82 26.300 1.636 5.657 537 HD11 LEU 82 1HD1 LEU 82 25.088 2.387 8.308 538 HD12 LEU 82 2HD1 LEU 82 26.478 3.157 7.540 539 HD13 LEU 82 3HD1 LEU 82 26.582 1.480 8.075 540 HD21 LEU 82 3HD2 LEU 82 23.835 0.538 7.020 541 HD22 LEU 82 1HD2 LEU 82 25.387 -0.294 6.890 542 HD23 LEU 82 2HD2 LEU 82 24.457 0.064 5.439 543 H LEU 83 H LEU 83 24.537 4.506 2.918 544 HA LEU 83 HA LEU 83 22.475 6.368 3.270 545 HB2 LEU 83 2HB LEU 83 24.761 6.500 2.019 546 HB3 LEU 83 1HB LEU 83 23.893 5.782 0.705 547 HG LEU 83 HG LEU 83 24.262 8.294 0.525 548 HD11 LEU 83 1HD1 LEU 83 22.613 7.235 -0.887 549 HD12 LEU 83 2HD1 LEU 83 22.062 8.830 -0.369 550 HD13 LEU 83 3HD1 LEU 83 21.402 7.383 0.388 551 HD21 LEU 83 3HD2 LEU 83 23.834 8.910 2.828 552 HD22 LEU 83 1HD2 LEU 83 22.153 8.396 2.678 553 HD23 LEU 83 2HD2 LEU 83 22.741 9.769 1.745 554 H GLU 84 H GLU 84 22.833 3.963 0.755 555 HA GLU 84 HA GLU 84 20.337 4.662 -0.365 556 HB2 GLU 84 2HB GLU 84 22.243 2.417 -0.932 557 HB3 GLU 84 1HB GLU 84 20.740 2.644 -1.846 558 HG2 GLU 84 2HG GLU 84 21.555 4.916 -2.436 559 HG3 GLU 84 1HG GLU 84 23.067 4.538 -1.623 560 H LYS 85 H LYS 85 21.517 2.220 1.753 561 HA LYS 85 HA LYS 85 19.326 0.568 2.011 562 HB2 LYS 85 2HB LYS 85 21.492 0.020 2.994 563 HB3 LYS 85 1HB LYS 85 21.369 1.414 4.052 564 HG2 LYS 85 2HG LYS 85 19.519 0.389 5.243 565 HG3 LYS 85 1HG LYS 85 19.568 -0.998 4.154 566 HD2 LYS 85 2HD LYS 85 21.859 -1.481 4.883 567 HD3 LYS 85 1HD LYS 85 21.795 -0.106 5.984 568 HE2 LYS 85 2HE LYS 85 19.939 -2.467 6.082 569 HE3 LYS 85 1HE LYS 85 21.403 -2.325 7.048 570 HZ1 LYS 85 3HZ LYS 85 20.457 -0.372 8.133 571 HZ2 LYS 85 1HZ LYS 85 19.450 -1.682 8.318 572 HZ3 LYS 85 2HZ LYS 85 19.039 -0.451 7.258 573 H PHE 86 H PHE 86 20.114 3.623 3.653 574 HA PHE 86 HA PHE 86 18.043 3.487 5.361 575 HB2 PHE 86 2HB PHE 86 19.435 5.953 4.338 576 HB3 PHE 86 1HB PHE 86 18.157 6.057 5.536 577 HD1 PHE 86 2HD PHE 86 18.633 4.003 7.419 578 HD2 PHE 86 1HD PHE 86 21.490 6.302 5.262 579 HE1 PHE 86 2HE PHE 86 20.295 3.594 9.177 580 HE2 PHE 86 1HE PHE 86 23.152 5.882 7.017 581 HZ PHE 86 HZ PHE 86 22.556 4.526 8.977 582 H ASN 87 H ASN 87 18.019 4.404 2.101 583 HA ASN 87 HA ASN 87 15.501 5.772 2.082 584 HB2 ASN 87 2HB ASN 87 17.320 4.785 -0.117 585 HB3 ASN 87 1HB ASN 87 15.730 5.447 -0.458 586 HD21 ASN 87 1HD2 ASN 87 18.991 6.198 0.683 587 HD22 ASN 87 2HD2 ASN 87 18.817 7.891 0.490 588 H PHE 88 H PHE 88 16.721 2.571 1.388 589 HA PHE 88 HA PHE 88 14.241 1.584 0.349 590 HB2 PHE 88 2HB PHE 88 16.448 -0.110 1.532 591 HB3 PHE 88 1HB PHE 88 15.297 -0.596 0.311 592 HD1 PHE 88 1HD PHE 88 15.643 1.967 -1.412 593 HD2 PHE 88 2HD PHE 88 18.350 -0.753 0.413 594 HE1 PHE 88 1HE PHE 88 17.351 2.542 -3.074 595 HE2 PHE 88 2HE PHE 88 20.045 -0.172 -1.251 596 HZ PHE 88 HZ PHE 88 19.569 1.469 -2.941 597 H GLU 89 H GLU 89 15.944 1.501 3.340 598 HA GLU 89 HA GLU 89 14.119 -0.081 4.742 599 HB2 GLU 89 2HB GLU 89 16.419 0.002 5.361 600 HB3 GLU 89 1HB GLU 89 16.388 1.742 5.491 601 HG2 GLU 89 2HG GLU 89 15.334 1.691 7.509 602 HG3 GLU 89 1HG GLU 89 14.749 0.024 7.301 603 H ALA 90 H ALA 90 14.476 3.327 4.040 604 HA ALA 90 HA ALA 90 12.557 4.146 6.000 605 HB1 ALA 90 1HB ALA 90 14.057 5.814 4.972 606 HB2 ALA 90 2HB ALA 90 12.372 6.282 4.753 607 HB3 ALA 90 3HB ALA 90 13.267 5.562 3.416 608 H ALA 91 H ALA 91 12.428 3.237 2.665 609 HA ALA 91 HA ALA 91 9.654 3.633 2.235 610 HB1 ALA 91 1HB ALA 91 11.421 3.451 0.448 611 HB2 ALA 91 2HB ALA 91 10.013 2.426 0.182 612 HB3 ALA 91 3HB ALA 91 11.511 1.738 0.816 613 H LEU 92 H LEU 92 11.537 0.826 3.215 614 HA LEU 92 HA LEU 92 9.455 -1.033 3.197 615 HB2 LEU 92 2HB LEU 92 11.837 -0.910 5.043 616 HB3 LEU 92 1HB LEU 92 10.751 -2.275 4.933 617 HG LEU 92 HG LEU 92 12.515 -1.263 2.701 618 HD11 LEU 92 1HD1 LEU 92 13.803 -2.276 4.486 619 HD12 LEU 92 2HD1 LEU 92 13.764 -3.333 3.073 620 HD13 LEU 92 3HD1 LEU 92 12.750 -3.689 4.469 621 HD21 LEU 92 3HD2 LEU 92 11.866 -3.352 1.572 622 HD22 LEU 92 1HD2 LEU 92 10.482 -2.291 1.837 623 HD23 LEU 92 2HD2 LEU 92 10.731 -3.691 2.878 624 H ALA 93 H ALA 93 10.415 1.210 5.732 625 HA ALA 93 HA ALA 93 8.500 0.227 7.580 626 HB1 ALA 93 1HB ALA 93 10.488 1.472 8.309 627 HB2 ALA 93 2HB ALA 93 9.005 2.234 8.886 628 HB3 ALA 93 3HB ALA 93 9.869 2.915 7.508 629 H THR 94 H THR 94 8.487 2.672 5.096 630 HA THR 94 HA THR 94 6.135 3.888 5.933 631 HB THR 94 HB THR 94 7.422 3.899 3.191 632 HG1 THR 94 1HG THR 94 8.833 4.828 4.623 633 HG21 THR 94 3HG2 THR 94 6.131 5.957 2.808 634 HG22 THR 94 1HG2 THR 94 5.389 5.796 4.400 635 HG23 THR 94 2HG2 THR 94 5.045 4.612 3.147 636 H GLY 95 H GLY 95 6.942 1.413 3.576 637 HA2 GLY 95 2HA GLY 95 4.385 1.076 2.475 638 HA3 GLY 95 1HA GLY 95 5.758 -0.017 2.331 639 H ASP 96 H ASP 96 6.188 -0.538 5.040 640 HA ASP 96 HA ASP 96 4.438 -2.683 5.404 641 HB2 ASP 96 2HB ASP 96 6.765 -2.411 6.374 642 HB3 ASP 96 1HB ASP 96 6.049 -1.339 7.563 643 H LEU 97 H LEU 97 4.518 0.521 6.838 644 HA LEU 97 HA LEU 97 2.406 0.118 8.653 645 HB2 LEU 97 2HB LEU 97 3.487 2.641 7.443 646 HB3 LEU 97 1HB LEU 97 2.288 2.604 8.724 647 HG LEU 97 HG LEU 97 5.067 1.474 8.912 648 HD11 LEU 97 1HD1 LEU 97 3.869 3.968 10.085 649 HD12 LEU 97 2HD1 LEU 97 5.122 3.884 8.849 650 HD13 LEU 97 3HD1 LEU 97 5.456 3.319 10.486 651 HD21 LEU 97 3HD2 LEU 97 3.519 0.217 10.260 652 HD22 LEU 97 1HD2 LEU 97 2.851 1.702 10.940 653 HD23 LEU 97 2HD2 LEU 97 4.510 1.234 11.306 654 H LEU 98 H LEU 98 2.357 1.570 5.424 655 HA LEU 98 HA LEU 98 -0.467 1.895 5.522 656 HB2 LEU 98 2HB LEU 98 -0.363 2.464 3.164 657 HB3 LEU 98 1HB LEU 98 0.917 3.274 4.041 658 HG LEU 98 HG LEU 98 2.219 1.163 3.332 659 HD11 LEU 98 1HD1 LEU 98 1.721 0.508 0.980 660 HD12 LEU 98 2HD1 LEU 98 0.225 1.438 1.080 661 HD13 LEU 98 3HD1 LEU 98 0.469 0.041 2.129 662 HD21 LEU 98 3HD2 LEU 98 3.113 2.453 1.374 663 HD22 LEU 98 1HD2 LEU 98 2.969 3.396 2.861 664 HD23 LEU 98 2HD2 LEU 98 1.768 3.575 1.583 665 H LEU 99 H LEU 99 1.624 -0.751 4.678 666 HA LEU 99 HA LEU 99 -0.291 -2.248 3.292 667 HB2 LEU 99 2HB LEU 99 2.355 -2.798 4.492 668 HB3 LEU 99 1HB LEU 99 1.322 -4.196 4.198 669 HG LEU 99 HG LEU 99 2.185 -2.195 2.096 670 HD11 LEU 99 1HD1 LEU 99 3.212 -4.975 2.680 671 HD12 LEU 99 2HD1 LEU 99 4.091 -3.473 2.967 672 HD13 LEU 99 3HD1 LEU 99 3.686 -3.956 1.322 673 HD21 LEU 99 3HD2 LEU 99 0.789 -4.864 1.931 674 HD22 LEU 99 1HD2 LEU 99 1.371 -3.938 0.550 675 HD23 LEU 99 2HD2 LEU 99 0.087 -3.289 1.558 676 H LYS 100 H LYS 100 0.630 -1.969 6.639 677 HA LYS 100 HA LYS 100 -1.194 -3.893 7.522 678 HB2 LYS 100 2HB LYS 100 0.325 -1.714 8.845 679 HB3 LYS 100 1HB LYS 100 -1.157 -2.191 9.637 680 HG2 LYS 100 2HG LYS 100 0.654 -3.337 10.661 681 HG3 LYS 100 1HG LYS 100 -0.286 -4.511 9.752 682 HD2 LYS 100 2HD LYS 100 1.365 -4.537 8.006 683 HD3 LYS 100 1HD LYS 100 2.259 -3.226 8.781 684 HE2 LYS 100 2HE LYS 100 2.620 -4.655 10.744 685 HE3 LYS 100 1HE LYS 100 1.781 -5.974 9.940 686 HZ1 LYS 100 3HZ LYS 100 4.202 -6.123 9.780 687 HZ2 LYS 100 1HZ LYS 100 4.236 -4.642 8.988 688 HZ3 LYS 100 2HZ LYS 100 3.503 -5.960 8.233 689 H ASP 101 H ASP 101 -1.386 -0.494 6.703 690 HA ASP 101 HA ASP 101 -3.876 -0.186 8.030 691 HB2 ASP 101 2HB ASP 101 -2.315 1.736 7.539 692 HB3 ASP 101 1HB ASP 101 -2.817 1.628 5.856 693 H LEU 102 H LEU 102 -2.909 -0.863 4.756 694 HA LEU 102 HA LEU 102 -5.385 -0.815 3.484 695 HB2 LEU 102 2HB LEU 102 -2.870 -2.362 2.928 696 HB3 LEU 102 1HB LEU 102 -4.290 -2.512 1.916 697 HG LEU 102 HG LEU 102 -2.908 0.138 2.382 698 HD11 LEU 102 1HD1 LEU 102 -2.557 -1.776 0.069 699 HD12 LEU 102 2HD1 LEU 102 -1.356 -1.477 1.326 700 HD13 LEU 102 3HD1 LEU 102 -1.831 -0.179 0.234 701 HD21 LEU 102 3HD2 LEU 102 -5.239 0.231 1.604 702 HD22 LEU 102 1HD2 LEU 102 -4.819 -0.841 0.265 703 HD23 LEU 102 2HD2 LEU 102 -4.111 0.769 0.359 704 H LYS 103 H LYS 103 -3.703 -3.641 5.005 705 HA LYS 103 HA LYS 103 -5.982 -5.208 4.416 706 HB2 LYS 103 2HB LYS 103 -4.871 -6.972 5.839 707 HB3 LYS 103 1HB LYS 103 -3.992 -6.403 4.432 708 HG2 LYS 103 2HG LYS 103 -2.638 -4.968 5.865 709 HG3 LYS 103 1HG LYS 103 -3.498 -5.578 7.276 710 HD2 LYS 103 2HD LYS 103 -1.327 -6.645 6.912 711 HD3 LYS 103 1HD LYS 103 -2.667 -7.793 6.890 712 HE2 LYS 103 2HE LYS 103 -0.967 -8.255 5.133 713 HE3 LYS 103 1HE LYS 103 -2.552 -7.923 4.456 714 HZ1 LYS 103 3HZ LYS 103 -0.588 -6.844 3.352 715 HZ2 LYS 103 1HZ LYS 103 -0.454 -5.833 4.693 716 HZ3 LYS 103 2HZ LYS 103 -1.855 -5.824 3.698 717 H ALA 104 H ALA 104 -5.125 -3.278 7.158 718 HA ALA 104 HA ALA 104 -6.965 -4.491 8.940 719 HB1 ALA 104 1HB ALA 104 -5.700 -1.756 8.965 720 HB2 ALA 104 2HB ALA 104 -5.105 -3.193 9.801 721 HB3 ALA 104 3HB ALA 104 -6.631 -2.451 10.286 722 H LEU 105 H LEU 105 -7.082 -1.785 6.678 723 HA LEU 105 HA LEU 105 -9.674 -1.053 7.480 724 HB2 LEU 105 2HB LEU 105 -9.645 0.639 5.875 725 HB3 LEU 105 1HB LEU 105 -7.941 0.410 6.165 726 HG LEU 105 HG LEU 105 -8.264 -1.244 4.080 727 HD11 LEU 105 1HD1 LEU 105 -9.697 -0.217 2.391 728 HD12 LEU 105 2HD1 LEU 105 -10.329 0.884 3.616 729 HD13 LEU 105 3HD1 LEU 105 -10.594 -0.854 3.768 730 HD21 LEU 105 3HD2 LEU 105 -7.917 1.730 3.849 731 HD22 LEU 105 1HD2 LEU 105 -7.387 0.532 2.674 732 HD23 LEU 105 2HD2 LEU 105 -6.646 0.592 4.281 733 H GLN 106 H GLN 106 -8.262 -3.156 5.143 734 HA GLN 106 HA GLN 106 -10.485 -3.912 3.600 735 HB2 GLN 106 2HB GLN 106 -8.187 -4.479 3.055 736 HB3 GLN 106 1HB GLN 106 -8.035 -5.378 4.547 737 HG2 GLN 106 2HG GLN 106 -9.635 -7.020 3.692 738 HG3 GLN 106 1HG GLN 106 -9.718 -6.121 2.176 739 HE21 GLN 106 1HE2 GLN 106 -6.875 -5.422 2.338 740 HE22 GLN 106 2HE2 GLN 106 -5.988 -6.773 1.813 741 H LYS 107 H LYS 107 -9.287 -5.282 6.605 742 HA LYS 107 HA LYS 107 -11.451 -7.088 6.840 743 HB2 LYS 107 2HB LYS 107 -9.725 -5.902 9.026 744 HB3 LYS 107 1HB LYS 107 -10.786 -7.288 9.207 745 HG2 LYS 107 2HG LYS 107 -8.367 -7.158 7.415 746 HG3 LYS 107 1HG LYS 107 -8.434 -7.931 8.996 747 HD2 LYS 107 2HD LYS 107 -10.149 -9.466 8.156 748 HD3 LYS 107 1HD LYS 107 -10.047 -8.713 6.562 749 HE2 LYS 107 2HE LYS 107 -7.709 -9.350 6.398 750 HE3 LYS 107 1HE LYS 107 -7.770 -10.081 7.999 751 HZ1 LYS 107 3HZ LYS 107 -9.186 -11.001 5.548 752 HZ2 LYS 107 1HZ LYS 107 -9.471 -11.651 7.078 753 HZ3 LYS 107 2HZ LYS 107 -7.963 -11.780 6.378 754 H ARG 108 H ARG 108 -11.090 -3.752 7.671 755 HA ARG 108 HA ARG 108 -13.380 -3.491 9.396 756 HB2 ARG 108 2HB ARG 108 -11.465 -1.870 9.283 757 HB3 ARG 108 1HB ARG 108 -12.042 -1.395 7.695 758 HG2 ARG 108 2HG ARG 108 -14.192 -0.704 8.773 759 HG3 ARG 108 1HG ARG 108 -13.428 -1.000 10.339 760 HD2 ARG 108 2HD ARG 108 -11.597 0.536 9.629 761 HD3 ARG 108 1HD ARG 108 -12.568 0.962 8.222 762 HE ARG 108 HE ARG 108 -13.182 1.525 11.026 763 HH11 ARG 108 1HH1 ARG 108 -14.115 2.025 7.646 764 HH12 ARG 108 2HH1 ARG 108 -14.729 3.583 7.888 765 HH21 ARG 108 1HH2 ARG 108 -14.021 3.733 11.354 766 HH22 ARG 108 2HH2 ARG 108 -14.657 4.570 10.018 767 H VAL 109 H VAL 109 -12.740 -2.762 6.028 768 HA VAL 109 HA VAL 109 -15.341 -2.022 5.461 769 HB VAL 109 HB VAL 109 -13.128 -2.851 3.537 770 HG11 VAL 109 1HG1 VAL 109 -14.395 -1.640 1.843 771 HG12 VAL 109 2HG1 VAL 109 -15.683 -1.344 3.010 772 HG13 VAL 109 3HG1 VAL 109 -15.336 -2.990 2.479 773 HG21 VAL 109 3HG2 VAL 109 -14.069 -0.138 4.442 774 HG22 VAL 109 1HG2 VAL 109 -12.783 -0.473 3.279 775 HG23 VAL 109 2HG2 VAL 109 -12.593 -0.949 4.967 776 H GLN 110 H GLN 110 -13.594 -5.048 5.144 777 HA GLN 110 HA GLN 110 -15.658 -6.545 4.012 778 HB2 GLN 110 2HB GLN 110 -13.472 -7.426 3.948 779 HB3 GLN 110 1HB GLN 110 -13.255 -7.218 5.672 780 HG2 GLN 110 2HG GLN 110 -14.499 -9.008 6.187 781 HG3 GLN 110 1HG GLN 110 -15.281 -9.131 4.592 782 HE21 GLN 110 1HE2 GLN 110 -11.878 -8.594 5.137 783 HE22 GLN 110 2HE2 GLN 110 -11.333 -10.107 4.521 784 H ASP 111 H ASP 111 -14.945 -5.558 7.268 785 HA ASP 111 HA ASP 111 -16.785 -7.285 8.477 786 HB2 ASP 111 2HB ASP 111 -14.778 -6.476 9.632 787 HB3 ASP 111 1HB ASP 111 -15.438 -4.849 9.622 788 H SER 112 H SER 112 -16.997 -4.262 6.969 789 HA SER 112 HA SER 112 -19.105 -2.994 8.257 790 HB2 SER 112 2HB SER 112 -18.522 -2.959 5.282 791 HB3 SER 112 1HB SER 112 -19.397 -1.731 6.201 792 HG SER 112 HG SER 112 -17.052 -2.105 7.386 793 H GLU 113 H GLU 113 -19.123 -5.772 6.169 794 HA GLU 113 HA GLU 113 -22.027 -5.736 5.960 795 HB2 GLU 113 2HB GLU 113 -19.932 -7.575 4.800 796 HB3 GLU 113 1HB GLU 113 -21.661 -7.758 4.550 797 HG2 GLU 113 2HG GLU 113 -21.759 -5.698 3.352 798 HG3 GLU 113 1HG GLU 113 -20.071 -5.349 3.743 Start of MODEL 5 1 H1 ASN 18 1HT ASN 18 12.754 12.626 1.871 2 H2 ASN 18 2HT ASN 18 11.374 11.897 1.221 3 H3 ASN 18 3HT ASN 18 12.479 12.609 0.204 4 HA ASN 18 HA ASN 18 14.119 10.970 0.721 5 HB2 ASN 18 2HB ASN 18 11.903 9.889 2.472 6 HB3 ASN 18 1HB ASN 18 13.221 8.885 1.893 7 HD21 ASN 18 1HD2 ASN 18 15.166 9.005 2.846 8 HD22 ASN 18 2HD2 ASN 18 15.510 9.983 4.220 9 H THR 19 H THR 19 14.295 9.363 -0.814 10 HA THR 19 HA THR 19 12.434 9.460 -2.876 11 HB THR 19 HB THR 19 14.507 7.298 -2.417 12 HG1 THR 19 1HG THR 19 15.960 8.760 -3.381 13 HG21 THR 19 3HG2 THR 19 12.987 6.968 -4.337 14 HG22 THR 19 1HG2 THR 19 14.632 7.318 -4.867 15 HG23 THR 19 2HG2 THR 19 13.400 8.578 -4.927 16 H ALA 20 H ALA 20 12.817 7.216 -0.218 17 HA ALA 20 HA ALA 20 11.226 5.090 -1.175 18 HB1 ALA 20 1HB ALA 20 11.928 5.963 1.607 19 HB2 ALA 20 2HB ALA 20 12.768 4.753 0.623 20 HB3 ALA 20 3HB ALA 20 11.127 4.455 1.208 21 H THR 21 H THR 21 10.424 7.847 0.991 22 HA THR 21 HA THR 21 7.786 6.955 1.389 23 HB THR 21 HB THR 21 7.648 9.313 2.353 24 HG1 THR 21 1HG THR 21 9.625 10.334 2.602 25 HG21 THR 21 3HG2 THR 21 8.875 8.583 4.389 26 HG22 THR 21 1HG2 THR 21 9.607 7.282 3.455 27 HG23 THR 21 2HG2 THR 21 7.866 7.295 3.730 28 H GLN 22 H GLN 22 9.378 9.305 -0.679 29 HA GLN 22 HA GLN 22 7.068 10.535 -1.704 30 HB2 GLN 22 2HB GLN 22 9.287 11.490 -2.047 31 HB3 GLN 22 1HB GLN 22 9.760 10.099 -3.007 32 HG2 GLN 22 2HG GLN 22 8.126 10.689 -4.702 33 HG3 GLN 22 1HG GLN 22 7.598 12.062 -3.731 34 HE21 GLN 22 1HE2 GLN 22 10.122 10.761 -5.721 35 HE22 GLN 22 2HE2 GLN 22 10.978 12.233 -5.945 36 H ARG 23 H ARG 23 8.904 7.704 -2.768 37 HA ARG 23 HA ARG 23 7.318 7.227 -5.042 38 HB2 ARG 23 2HB ARG 23 9.561 6.260 -4.818 39 HB3 ARG 23 1HB ARG 23 9.006 5.257 -3.483 40 HG2 ARG 23 2HG ARG 23 7.474 4.101 -4.952 41 HG3 ARG 23 1HG ARG 23 7.947 5.139 -6.291 42 HD2 ARG 23 2HD ARG 23 10.216 4.250 -6.171 43 HD3 ARG 23 1HD ARG 23 9.738 3.213 -4.822 44 HE ARG 23 HE ARG 23 7.950 2.522 -6.615 45 HH11 ARG 23 1HH1 ARG 23 11.501 2.847 -7.056 46 HH12 ARG 23 2HH1 ARG 23 11.529 1.757 -8.338 47 HH21 ARG 23 1HH2 ARG 23 8.094 0.996 -8.393 48 HH22 ARG 23 2HH2 ARG 23 9.608 0.684 -9.085 49 H PHE 24 H PHE 24 6.952 6.317 -1.670 50 HA PHE 24 HA PHE 24 4.849 4.479 -2.375 51 HB2 PHE 24 2HB PHE 24 6.077 5.247 0.260 52 HB3 PHE 24 1HB PHE 24 4.582 4.320 0.194 53 HD1 PHE 24 2HD PHE 24 6.762 3.624 -2.548 54 HD2 PHE 24 1HD PHE 24 6.025 2.630 1.537 55 HE1 PHE 24 2HE PHE 24 8.020 1.557 -2.823 56 HE2 PHE 24 1HE PHE 24 7.284 0.561 1.245 57 HZ PHE 24 HZ PHE 24 8.285 0.012 -0.927 58 H HIS 25 H HIS 25 4.928 7.693 -2.304 59 HA HIS 25 HA HIS 25 2.509 8.191 -0.896 60 HB2 HIS 25 2HB HIS 25 4.282 9.951 -1.364 61 HB3 HIS 25 1HB HIS 25 3.711 9.971 -3.029 62 HD1 HIS 25 1HD HIS 25 2.154 11.906 -3.415 63 HD2 HIS 25 2HD HIS 25 1.849 10.395 0.433 64 HE1 HIS 25 1HE HIS 25 0.471 13.342 -2.254 65 HE2 HIS 25 2HE HIS 25 0.050 12.122 -0.110 66 H GLU 26 H GLU 26 3.274 7.079 -4.066 67 HA GLU 26 HA GLU 26 0.844 7.667 -5.387 68 HB2 GLU 26 2HB GLU 26 2.794 5.388 -5.768 69 HB3 GLU 26 1HB GLU 26 1.428 5.692 -6.828 70 HG2 GLU 26 2HG GLU 26 3.673 7.617 -6.319 71 HG3 GLU 26 1HG GLU 26 3.565 6.532 -7.705 72 H ILE 27 H ILE 27 1.877 5.024 -3.349 73 HA ILE 27 HA ILE 27 -0.583 3.610 -3.678 74 HB ILE 27 HB ILE 27 1.587 3.120 -1.579 75 HG12 ILE 27 2HG1 ILE 27 2.098 1.064 -3.064 76 HG13 ILE 27 1HG1 ILE 27 1.161 1.863 -4.310 77 HG21 ILE 27 1HG2 ILE 27 -0.682 1.345 -2.468 78 HG22 ILE 27 2HG2 ILE 27 -0.582 2.222 -0.941 79 HG23 ILE 27 3HG2 ILE 27 0.561 0.923 -1.285 80 HD11 ILE 27 3HD1 ILE 27 3.535 2.167 -4.656 81 HD12 ILE 27 1HD1 ILE 27 3.697 2.881 -3.052 82 HD13 ILE 27 2HD1 ILE 27 2.771 3.714 -4.304 83 H GLU 28 H GLU 28 0.809 5.846 -1.391 84 HA GLU 28 HA GLU 28 -1.069 5.737 0.684 85 HB2 GLU 28 2HB GLU 28 1.180 6.924 0.643 86 HB3 GLU 28 1HB GLU 28 0.423 8.173 -0.319 87 HG2 GLU 28 2HG GLU 28 -0.431 7.471 2.487 88 HG3 GLU 28 1HG GLU 28 0.769 8.693 2.113 89 H LYS 29 H LYS 29 -1.002 7.760 -2.222 90 HA LYS 29 HA LYS 29 -3.500 8.941 -1.682 91 HB2 LYS 29 2HB LYS 29 -3.508 9.778 -3.983 92 HB3 LYS 29 1HB LYS 29 -1.973 10.063 -3.190 93 HG2 LYS 29 2HG LYS 29 -1.025 8.145 -4.388 94 HG3 LYS 29 1HG LYS 29 -2.557 7.928 -5.223 95 HD2 LYS 29 2HD LYS 29 -0.986 10.504 -5.363 96 HD3 LYS 29 1HD LYS 29 -0.708 9.175 -6.478 97 HE2 LYS 29 2HE LYS 29 -2.151 10.765 -7.547 98 HE3 LYS 29 1HE LYS 29 -3.100 9.338 -7.171 99 HZ1 LYS 29 3HZ LYS 29 -3.092 11.839 -5.561 100 HZ2 LYS 29 1HZ LYS 29 -4.111 10.507 -5.343 101 HZ3 LYS 29 2HZ LYS 29 -4.251 11.440 -6.715 102 H PHE 30 H PHE 30 -2.661 6.003 -3.451 103 HA PHE 30 HA PHE 30 -5.279 5.562 -4.453 104 HB2 PHE 30 2HB PHE 30 -2.983 4.364 -4.983 105 HB3 PHE 30 1HB PHE 30 -3.538 3.318 -3.664 106 HD1 PHE 30 1HD PHE 30 -5.684 2.056 -3.900 107 HD2 PHE 30 2HD PHE 30 -3.957 4.187 -7.146 108 HE1 PHE 30 1HE PHE 30 -7.120 0.828 -5.474 109 HE2 PHE 30 2HE PHE 30 -5.375 2.962 -8.718 110 HZ PHE 30 HZ PHE 30 -6.969 1.279 -7.887 111 H LEU 31 H LEU 31 -3.636 4.789 -1.470 112 HA LEU 31 HA LEU 31 -5.467 3.120 -0.213 113 HB2 LEU 31 2HB LEU 31 -3.223 3.562 0.645 114 HB3 LEU 31 1HB LEU 31 -3.639 5.232 0.940 115 HG LEU 31 HG LEU 31 -5.264 4.459 2.676 116 HD11 LEU 31 1HD1 LEU 31 -5.070 2.190 3.522 117 HD12 LEU 31 2HD1 LEU 31 -3.976 1.783 2.205 118 HD13 LEU 31 3HD1 LEU 31 -5.654 2.207 1.859 119 HD21 LEU 31 3HD2 LEU 31 -2.398 3.608 3.053 120 HD22 LEU 31 1HD2 LEU 31 -3.557 3.922 4.343 121 HD23 LEU 31 2HD2 LEU 31 -3.039 5.235 3.287 122 H LEU 32 H LEU 32 -5.292 6.685 -0.311 123 HA LEU 32 HA LEU 32 -7.578 6.879 1.265 124 HB2 LEU 32 2HB LEU 32 -7.670 9.303 0.775 125 HB3 LEU 32 1HB LEU 32 -6.094 8.794 1.305 126 HG LEU 32 HG LEU 32 -5.519 8.824 -1.234 127 HD11 LEU 32 1HD1 LEU 32 -7.932 10.617 -1.219 128 HD12 LEU 32 2HD1 LEU 32 -7.765 9.089 -2.085 129 HD13 LEU 32 3HD1 LEU 32 -6.752 10.469 -2.523 130 HD21 LEU 32 3HD2 LEU 32 -5.985 11.344 0.342 131 HD22 LEU 32 1HD2 LEU 32 -4.953 11.201 -1.081 132 HD23 LEU 32 2HD2 LEU 32 -4.551 10.316 0.388 133 H HIS 33 H HIS 33 -7.092 6.726 -2.141 134 HA HIS 33 HA HIS 33 -9.714 7.232 -2.972 135 HB2 HIS 33 2HB HIS 33 -8.156 7.066 -4.758 136 HB3 HIS 33 1HB HIS 33 -7.522 5.534 -4.171 137 HD1 HIS 33 1HD HIS 33 -8.173 3.656 -5.649 138 HD2 HIS 33 2HD HIS 33 -11.141 6.563 -5.571 139 HE1 HIS 33 1HE HIS 33 -10.051 2.734 -7.006 140 HE2 HIS 33 2HE HIS 33 -11.917 4.283 -6.541 141 H ILE 34 H ILE 34 -8.243 4.115 -1.884 142 HA ILE 34 HA ILE 34 -10.505 2.597 -2.374 143 HB ILE 34 HB ILE 34 -8.054 2.290 -0.666 144 HG12 ILE 34 2HG1 ILE 34 -7.859 2.004 -3.102 145 HG13 ILE 34 1HG1 ILE 34 -7.469 0.530 -2.228 146 HG21 ILE 34 1HG2 ILE 34 -10.233 0.230 -0.833 147 HG22 ILE 34 2HG2 ILE 34 -9.825 1.194 0.585 148 HG23 ILE 34 3HG2 ILE 34 -8.659 0.036 -0.059 149 HD11 ILE 34 3HD1 ILE 34 -9.742 -0.309 -2.730 150 HD12 ILE 34 1HD1 ILE 34 -8.777 -0.011 -4.175 151 HD13 ILE 34 2HD1 ILE 34 -10.037 1.129 -3.709 152 H THR 35 H THR 35 -9.382 4.268 0.534 153 HA THR 35 HA THR 35 -11.423 3.306 2.208 154 HB THR 35 HB THR 35 -10.090 5.952 2.415 155 HG1 THR 35 1HG THR 35 -8.350 4.483 2.221 156 HG21 THR 35 3HG2 THR 35 -11.832 5.543 4.071 157 HG22 THR 35 1HG2 THR 35 -10.258 5.536 4.868 158 HG23 THR 35 2HG2 THR 35 -11.077 4.014 4.521 159 H HIS 36 H HIS 36 -11.180 6.314 0.272 160 HA HIS 36 HA HIS 36 -13.718 7.214 1.124 161 HB2 HIS 36 2HB HIS 36 -11.852 8.693 0.227 162 HB3 HIS 36 1HB HIS 36 -12.362 8.176 -1.381 163 HD1 HIS 36 1HD HIS 36 -14.542 9.121 1.578 164 HD2 HIS 36 2HD HIS 36 -13.751 10.332 -2.321 165 HE1 HIS 36 1HE HIS 36 -16.150 10.979 1.112 166 HE2 HIS 36 2HE HIS 36 -15.879 11.425 -1.325 167 H GLU 37 H GLU 37 -12.662 5.233 -1.521 168 HA GLU 37 HA GLU 37 -14.942 5.137 -3.094 169 HB2 GLU 37 2HB GLU 37 -12.668 4.098 -3.502 170 HB3 GLU 37 1HB GLU 37 -13.098 2.871 -2.328 171 HG2 GLU 37 2HG GLU 37 -13.460 1.914 -4.408 172 HG3 GLU 37 1HG GLU 37 -15.063 2.368 -3.813 173 H VAL 38 H VAL 38 -14.018 3.598 -0.058 174 HA VAL 38 HA VAL 38 -16.130 1.752 0.160 175 HB VAL 38 HB VAL 38 -14.593 3.092 2.420 176 HG11 VAL 38 1HG1 VAL 38 -16.608 1.864 3.140 177 HG12 VAL 38 2HG1 VAL 38 -15.148 1.009 3.656 178 HG13 VAL 38 3HG1 VAL 38 -16.055 0.447 2.251 179 HG21 VAL 38 3HG2 VAL 38 -13.010 2.077 0.943 180 HG22 VAL 38 1HG2 VAL 38 -13.952 0.590 0.919 181 HG23 VAL 38 2HG2 VAL 38 -13.154 1.102 2.409 182 H ASP 39 H ASP 39 -15.579 5.006 1.322 183 HA ASP 39 HA ASP 39 -17.886 5.319 2.802 184 HB2 ASP 39 2HB ASP 39 -16.535 7.495 1.167 185 HB3 ASP 39 1HB ASP 39 -17.724 7.781 2.418 186 H ASP 40 H ASP 40 -17.179 5.834 -0.591 187 HA ASP 40 HA ASP 40 -19.530 7.177 -1.262 188 HB2 ASP 40 2HB ASP 40 -17.221 7.373 -2.311 189 HB3 ASP 40 1HB ASP 40 -17.528 5.831 -3.070 190 H LEU 41 H LEU 41 -18.322 3.872 -1.680 191 HA LEU 41 HA LEU 41 -20.646 3.192 -3.113 192 HB2 LEU 41 2HB LEU 41 -19.891 0.834 -2.979 193 HB3 LEU 41 1HB LEU 41 -18.701 1.921 -3.641 194 HG LEU 41 HG LEU 41 -17.671 1.882 -1.278 195 HD11 LEU 41 1HD1 LEU 41 -18.014 -0.149 -0.010 196 HD12 LEU 41 2HD1 LEU 41 -19.266 -0.661 -1.140 197 HD13 LEU 41 3HD1 LEU 41 -19.515 0.768 -0.138 198 HD21 LEU 41 3HD2 LEU 41 -17.584 -0.520 -3.078 199 HD22 LEU 41 1HD2 LEU 41 -16.389 -0.122 -1.843 200 HD23 LEU 41 2HD2 LEU 41 -16.618 0.946 -3.231 201 H GLU 42 H GLU 42 -19.815 3.071 0.264 202 HA GLU 42 HA GLU 42 -22.033 1.505 0.852 203 HB2 GLU 42 2HB GLU 42 -20.251 3.106 2.648 204 HB3 GLU 42 1HB GLU 42 -21.709 2.352 3.277 205 HG2 GLU 42 2HG GLU 42 -20.868 0.166 2.416 206 HG3 GLU 42 1HG GLU 42 -19.368 0.982 1.981 207 H LYS 43 H LYS 43 -21.774 4.934 0.293 208 HA LYS 43 HA LYS 43 -24.425 5.194 1.472 209 HB2 LYS 43 2HB LYS 43 -24.231 7.636 1.150 210 HB3 LYS 43 1HB LYS 43 -22.874 7.010 2.050 211 HG2 LYS 43 2HG LYS 43 -22.003 8.669 0.596 212 HG3 LYS 43 1HG LYS 43 -21.552 7.127 -0.126 213 HD2 LYS 43 2HD LYS 43 -23.392 7.315 -1.706 214 HD3 LYS 43 1HD LYS 43 -23.925 8.812 -0.956 215 HE2 LYS 43 2HE LYS 43 -21.259 8.393 -2.318 216 HE3 LYS 43 1HE LYS 43 -22.661 9.164 -3.052 217 HZ1 LYS 43 3HZ LYS 43 -22.538 10.860 -1.287 218 HZ2 LYS 43 1HZ LYS 43 -21.152 10.808 -2.242 219 HZ3 LYS 43 2HZ LYS 43 -21.135 10.140 -0.702 220 H THR 44 H THR 44 -23.059 4.425 -1.336 221 HA THR 44 HA THR 44 -25.048 5.580 -3.081 222 HB THR 44 HB THR 44 -22.404 4.268 -3.455 223 HG1 THR 44 1HG THR 44 -21.797 6.157 -3.393 224 HG21 THR 44 3HG2 THR 44 -22.499 4.805 -5.738 225 HG22 THR 44 1HG2 THR 44 -24.218 5.243 -5.631 226 HG23 THR 44 2HG2 THR 44 -23.689 3.551 -5.310 227 H GLY 45 H GLY 45 -23.689 2.320 -2.570 228 HA2 GLY 45 2HA GLY 45 -26.315 1.191 -3.125 229 HA3 GLY 45 1HA GLY 45 -25.093 0.846 -4.337 230 H ASN 46 H ASN 46 -22.911 0.191 -3.193 231 HA ASN 46 HA ASN 46 -21.653 -1.186 -1.840 232 HB2 ASN 46 2HB ASN 46 -23.031 -0.242 0.075 233 HB3 ASN 46 1HB ASN 46 -24.158 -1.566 -0.144 234 HD21 ASN 46 1HD2 ASN 46 -23.893 -2.491 1.829 235 HD22 ASN 46 2HD2 ASN 46 -22.422 -3.188 2.372 236 H LYS 47 H LYS 47 -23.912 -1.929 -3.826 237 HA LYS 47 HA LYS 47 -24.835 -4.492 -3.230 238 HB2 LYS 47 2HB LYS 47 -26.034 -2.967 -4.669 239 HB3 LYS 47 1HB LYS 47 -24.717 -2.994 -5.817 240 HG2 LYS 47 2HG LYS 47 -26.574 -4.293 -6.638 241 HG3 LYS 47 1HG LYS 47 -25.196 -5.343 -6.306 242 HD2 LYS 47 2HD LYS 47 -26.205 -6.093 -4.258 243 HD3 LYS 47 1HD LYS 47 -27.526 -4.934 -4.432 244 HE2 LYS 47 2HE LYS 47 -28.217 -7.181 -5.097 245 HE3 LYS 47 1HE LYS 47 -28.268 -6.071 -6.465 246 HZ1 LYS 47 3HZ LYS 47 -27.319 -8.174 -7.103 247 HZ2 LYS 47 1HZ LYS 47 -26.159 -8.086 -5.892 248 HZ3 LYS 47 2HZ LYS 47 -26.122 -7.014 -7.187 249 H ASP 48 H ASP 48 -22.299 -3.455 -5.461 250 HA ASP 48 HA ASP 48 -21.196 -6.184 -5.373 251 HB2 ASP 48 2HB ASP 48 -20.754 -6.249 -7.750 252 HB3 ASP 48 1HB ASP 48 -22.455 -5.869 -7.516 253 H GLU 49 H GLU 49 -20.689 -2.816 -5.469 254 HA GLU 49 HA GLU 49 -18.008 -2.881 -6.260 255 HB2 GLU 49 2HB GLU 49 -19.633 -0.647 -5.113 256 HB3 GLU 49 1HB GLU 49 -17.944 -0.484 -5.585 257 HG2 GLU 49 2HG GLU 49 -18.509 -1.268 -7.831 258 HG3 GLU 49 1HG GLU 49 -20.208 -1.319 -7.371 259 H LYS 50 H LYS 50 -19.379 -3.164 -3.173 260 HA LYS 50 HA LYS 50 -17.176 -2.523 -1.579 261 HB2 LYS 50 2HB LYS 50 -19.540 -3.219 -0.904 262 HB3 LYS 50 1HB LYS 50 -19.044 -4.862 -1.223 263 HG2 LYS 50 2HG LYS 50 -18.987 -4.532 1.143 264 HG3 LYS 50 1HG LYS 50 -17.318 -4.593 0.599 265 HD2 LYS 50 2HD LYS 50 -17.016 -2.349 0.831 266 HD3 LYS 50 1HD LYS 50 -18.750 -2.020 0.808 267 HE2 LYS 50 2HE LYS 50 -19.091 -2.916 2.953 268 HE3 LYS 50 1HE LYS 50 -17.517 -3.696 2.981 269 HZ1 LYS 50 3HZ LYS 50 -17.468 -1.824 4.381 270 HZ2 LYS 50 1HZ LYS 50 -18.074 -0.767 3.234 271 HZ3 LYS 50 2HZ LYS 50 -16.548 -1.419 3.035 272 H ALA 51 H ALA 51 -18.066 -5.429 -3.117 273 HA ALA 51 HA ALA 51 -15.776 -7.024 -2.505 274 HB1 ALA 51 1HB ALA 51 -17.892 -8.036 -3.227 275 HB2 ALA 51 2HB ALA 51 -16.551 -8.565 -4.241 276 HB3 ALA 51 3HB ALA 51 -17.675 -7.339 -4.830 277 H ARG 52 H ARG 52 -16.603 -5.104 -5.347 278 HA ARG 52 HA ARG 52 -14.266 -5.567 -6.870 279 HB2 ARG 52 2HB ARG 52 -16.268 -4.483 -7.860 280 HB3 ARG 52 1HB ARG 52 -16.036 -3.093 -6.819 281 HG2 ARG 52 2HG ARG 52 -13.897 -3.849 -8.789 282 HG3 ARG 52 1HG ARG 52 -15.333 -2.992 -9.328 283 HD2 ARG 52 2HD ARG 52 -13.493 -2.005 -7.132 284 HD3 ARG 52 1HD ARG 52 -13.365 -1.506 -8.817 285 HE ARG 52 HE ARG 52 -15.978 -1.060 -8.003 286 HH11 ARG 52 1HH1 ARG 52 -12.694 0.342 -7.263 287 HH12 ARG 52 2HH1 ARG 52 -13.337 1.824 -6.840 288 HH21 ARG 52 1HH2 ARG 52 -16.762 1.139 -7.419 289 HH22 ARG 52 2HH2 ARG 52 -15.631 2.289 -6.898 290 H LEU 53 H LEU 53 -15.001 -3.223 -4.367 291 HA LEU 53 HA LEU 53 -12.778 -1.624 -4.410 292 HB2 LEU 53 2HB LEU 53 -14.616 -1.010 -3.173 293 HB3 LEU 53 1HB LEU 53 -14.782 -2.591 -2.451 294 HG LEU 53 HG LEU 53 -12.589 -2.075 -1.379 295 HD11 LEU 53 1HD1 LEU 53 -13.526 0.707 -2.048 296 HD12 LEU 53 2HD1 LEU 53 -12.006 -0.049 -2.532 297 HD13 LEU 53 3HD1 LEU 53 -12.301 0.351 -0.836 298 HD21 LEU 53 3HD2 LEU 53 -14.750 -2.373 -0.296 299 HD22 LEU 53 1HD2 LEU 53 -15.058 -0.648 -0.424 300 HD23 LEU 53 2HD2 LEU 53 -13.712 -1.262 0.568 301 H LEU 54 H LEU 54 -13.403 -4.606 -2.558 302 HA LEU 54 HA LEU 54 -10.876 -4.477 -1.386 303 HB2 LEU 54 2HB LEU 54 -12.796 -6.764 -1.509 304 HB3 LEU 54 1HB LEU 54 -11.280 -6.825 -0.629 305 HG LEU 54 HG LEU 54 -13.651 -5.068 -0.077 306 HD11 LEU 54 1HD1 LEU 54 -13.789 -7.321 0.787 307 HD12 LEU 54 2HD1 LEU 54 -13.583 -6.154 2.096 308 HD13 LEU 54 3HD1 LEU 54 -12.215 -7.131 1.565 309 HD21 LEU 54 3HD2 LEU 54 -10.861 -4.904 1.068 310 HD22 LEU 54 1HD2 LEU 54 -12.255 -4.121 1.802 311 HD23 LEU 54 2HD2 LEU 54 -11.723 -3.631 0.215 312 H ARG 55 H ARG 55 -11.999 -6.017 -4.245 313 HA ARG 55 HA ARG 55 -9.653 -7.562 -4.677 314 HB2 ARG 55 2HB ARG 55 -11.783 -8.028 -5.831 315 HB3 ARG 55 1HB ARG 55 -11.659 -6.489 -6.669 316 HG2 ARG 55 2HG ARG 55 -9.628 -7.253 -7.780 317 HG3 ARG 55 1HG ARG 55 -9.745 -8.795 -6.936 318 HD2 ARG 55 2HD ARG 55 -11.768 -7.670 -8.860 319 HD3 ARG 55 1HD ARG 55 -10.616 -8.957 -9.208 320 HE ARG 55 HE ARG 55 -12.821 -9.146 -7.267 321 HH11 ARG 55 1HH1 ARG 55 -10.563 -10.716 -9.497 322 HH12 ARG 55 2HH1 ARG 55 -11.407 -12.200 -9.510 323 HH21 ARG 55 1HH2 ARG 55 -13.940 -11.213 -7.263 324 HH22 ARG 55 2HH2 ARG 55 -13.327 -12.487 -8.220 325 H GLU 56 H GLU 56 -10.650 -4.293 -5.428 326 HA GLU 56 HA GLU 56 -8.500 -3.703 -7.133 327 HB2 GLU 56 2HB GLU 56 -10.612 -2.526 -7.196 328 HB3 GLU 56 1HB GLU 56 -10.361 -1.949 -5.559 329 HG2 GLU 56 2HG GLU 56 -8.695 -0.501 -6.205 330 HG3 GLU 56 1HG GLU 56 -8.472 -1.299 -7.769 331 H LEU 57 H LEU 57 -8.996 -3.385 -3.642 332 HA LEU 57 HA LEU 57 -6.473 -2.126 -3.417 333 HB2 LEU 57 2HB LEU 57 -6.641 -2.256 -1.004 334 HB3 LEU 57 1HB LEU 57 -8.084 -1.571 -1.702 335 HG LEU 57 HG LEU 57 -9.152 -3.831 -1.309 336 HD11 LEU 57 1HD1 LEU 57 -6.712 -4.213 0.430 337 HD12 LEU 57 2HD1 LEU 57 -7.119 -5.163 -0.995 338 HD13 LEU 57 3HD1 LEU 57 -8.139 -5.239 0.438 339 HD21 LEU 57 3HD2 LEU 57 -9.632 -1.907 0.046 340 HD22 LEU 57 1HD2 LEU 57 -8.184 -2.192 1.012 341 HD23 LEU 57 2HD2 LEU 57 -9.521 -3.336 1.068 342 H THR 58 H THR 58 -7.560 -5.370 -3.402 343 HA THR 58 HA THR 58 -5.304 -6.578 -2.384 344 HB THR 58 HB THR 58 -7.278 -7.512 -4.484 345 HG1 THR 58 1HG THR 58 -8.422 -7.499 -2.655 346 HG21 THR 58 3HG2 THR 58 -6.534 -9.804 -3.959 347 HG22 THR 58 1HG2 THR 58 -5.279 -9.141 -2.923 348 HG23 THR 58 2HG2 THR 58 -5.224 -8.853 -4.665 349 H VAL 59 H VAL 59 -6.033 -5.468 -5.645 350 HA VAL 59 HA VAL 59 -3.605 -6.253 -6.873 351 HB VAL 59 HB VAL 59 -5.389 -3.888 -7.556 352 HG11 VAL 59 1HG1 VAL 59 -3.337 -5.317 -9.242 353 HG12 VAL 59 2HG1 VAL 59 -3.199 -3.683 -8.596 354 HG13 VAL 59 3HG1 VAL 59 -4.428 -4.052 -9.809 355 HG21 VAL 59 3HG2 VAL 59 -6.395 -5.376 -9.234 356 HG22 VAL 59 1HG2 VAL 59 -6.625 -5.982 -7.592 357 HG23 VAL 59 2HG2 VAL 59 -5.397 -6.701 -8.635 358 H SER 60 H SER 60 -4.604 -3.363 -5.146 359 HA SER 60 HA SER 60 -2.281 -1.839 -5.475 360 HB2 SER 60 2HB SER 60 -4.172 -1.816 -3.114 361 HB3 SER 60 1HB SER 60 -3.120 -0.497 -3.636 362 HG SER 60 HG SER 60 -5.501 -1.432 -4.781 363 H GLU 61 H GLU 61 -3.226 -4.091 -3.089 364 HA GLU 61 HA GLU 61 -1.140 -4.033 -1.224 365 HB2 GLU 61 2HB GLU 61 -3.462 -5.163 -1.208 366 HB3 GLU 61 1HB GLU 61 -2.710 -6.460 -2.095 367 HG2 GLU 61 2HG GLU 61 -1.886 -5.589 0.668 368 HG3 GLU 61 1HG GLU 61 -3.053 -6.854 0.339 369 H ALA 62 H ALA 62 -1.547 -5.610 -4.292 370 HA ALA 62 HA ALA 62 0.772 -7.221 -4.115 371 HB1 ALA 62 1HB ALA 62 -1.157 -7.805 -5.535 372 HB2 ALA 62 2HB ALA 62 0.376 -7.813 -6.410 373 HB3 ALA 62 3HB ALA 62 -0.741 -6.457 -6.593 374 H PHE 63 H PHE 63 0.201 -4.020 -5.620 375 HA PHE 63 HA PHE 63 2.893 -4.268 -6.553 376 HB2 PHE 63 2HB PHE 63 2.692 -1.853 -7.426 377 HB3 PHE 63 1HB PHE 63 1.747 -3.105 -8.211 378 HD1 PHE 63 2HD PHE 63 1.512 -0.521 -5.553 379 HD2 PHE 63 1HD PHE 63 -0.444 -2.764 -8.582 380 HE1 PHE 63 2HE PHE 63 -0.534 0.786 -5.200 381 HE2 PHE 63 1HE PHE 63 -2.483 -1.472 -8.236 382 HZ PHE 63 HZ PHE 63 -2.537 0.263 -6.522 383 H ILE 64 H ILE 64 1.385 -2.761 -3.869 384 HA ILE 64 HA ILE 64 3.708 -1.349 -3.146 385 HB ILE 64 HB ILE 64 1.683 -0.720 -1.969 386 HG12 ILE 64 2HG1 ILE 64 2.361 -1.025 0.435 387 HG13 ILE 64 1HG1 ILE 64 3.633 -2.070 -0.188 388 HG21 ILE 64 1HG2 ILE 64 0.553 -2.169 -0.384 389 HG22 ILE 64 2HG2 ILE 64 1.614 -3.498 -0.869 390 HG23 ILE 64 3HG2 ILE 64 0.488 -2.794 -2.030 391 HD11 ILE 64 3HD1 ILE 64 4.630 -0.241 -1.398 392 HD12 ILE 64 1HD1 ILE 64 4.469 0.201 0.301 393 HD13 ILE 64 2HD1 ILE 64 3.334 0.845 -0.890 394 H GLU 65 H GLU 65 2.711 -4.696 -2.587 395 HA GLU 65 HA GLU 65 4.883 -5.390 -0.960 396 HB2 GLU 65 2HB GLU 65 2.902 -6.846 -1.274 397 HB3 GLU 65 1HB GLU 65 3.381 -7.115 -2.944 398 HG2 GLU 65 2HG GLU 65 5.452 -8.135 -2.195 399 HG3 GLU 65 1HG GLU 65 4.973 -7.898 -0.522 400 H GLY 66 H GLY 66 4.439 -5.289 -4.446 401 HA2 GLY 66 2HA GLY 66 6.945 -6.325 -5.183 402 HA3 GLY 66 1HA GLY 66 5.923 -5.300 -6.187 403 H SER 67 H SER 67 5.929 -3.019 -4.426 404 HA SER 67 HA SER 67 8.400 -1.896 -5.203 405 HB2 SER 67 2HB SER 67 6.201 -0.772 -3.453 406 HB3 SER 67 1HB SER 67 7.545 0.140 -4.148 407 HG SER 67 HG SER 67 5.980 0.425 -5.577 408 H ARG 68 H ARG 68 7.053 -3.117 -2.194 409 HA ARG 68 HA ARG 68 9.260 -2.231 -0.677 410 HB2 ARG 68 2HB ARG 68 7.408 -4.553 -0.046 411 HB3 ARG 68 1HB ARG 68 8.545 -3.863 1.095 412 HG2 ARG 68 2HG ARG 68 7.309 -1.763 1.076 413 HG3 ARG 68 1HG ARG 68 6.185 -2.431 -0.110 414 HD2 ARG 68 2HD ARG 68 5.098 -2.649 1.975 415 HD3 ARG 68 1HD ARG 68 5.694 -4.250 1.577 416 HE ARG 68 HE ARG 68 7.332 -2.576 3.318 417 HH11 ARG 68 1HH1 ARG 68 5.279 -5.438 2.997 418 HH12 ARG 68 2HH1 ARG 68 5.555 -5.971 4.589 419 HH21 ARG 68 1HH2 ARG 68 7.625 -3.331 5.577 420 HH22 ARG 68 2HH2 ARG 68 6.889 -4.786 6.037 421 H GLY 69 H GLY 69 8.437 -5.170 -2.310 422 HA2 GLY 69 2HA GLY 69 10.753 -6.619 -1.778 423 HA3 GLY 69 1HA GLY 69 9.686 -6.839 -3.158 424 H TYR 70 H TYR 70 10.169 -3.903 -3.782 425 HA TYR 70 HA TYR 70 12.289 -4.371 -5.629 426 HB2 TYR 70 2HB TYR 70 10.418 -2.791 -6.159 427 HB3 TYR 70 1HB TYR 70 11.031 -1.704 -4.917 428 HD1 TYR 70 1HD TYR 70 11.650 -3.129 -8.232 429 HD2 TYR 70 2HD TYR 70 13.023 -0.345 -5.320 430 HE1 TYR 70 1HE TYR 70 13.150 -2.130 -9.897 431 HE2 TYR 70 2HE TYR 70 14.514 0.658 -6.978 432 HH TYR 70 HH TYR 70 14.230 0.091 -10.251 433 H PHE 71 H PHE 71 11.848 -2.418 -2.800 434 HA PHE 71 HA PHE 71 14.482 -1.583 -2.675 435 HB2 PHE 71 2HB PHE 71 12.368 -1.651 -0.528 436 HB3 PHE 71 1HB PHE 71 13.960 -0.922 -0.298 437 HD1 PHE 71 2HD PHE 71 14.676 0.686 -2.306 438 HD2 PHE 71 1HD PHE 71 10.681 -0.190 -1.174 439 HE1 PHE 71 2HE PHE 71 13.930 2.762 -3.385 440 HE2 PHE 71 1HE PHE 71 9.926 1.882 -2.270 441 HZ PHE 71 HZ PHE 71 11.548 3.363 -3.368 442 H GLN 72 H GLN 72 12.907 -4.381 -1.319 443 HA GLN 72 HA GLN 72 15.018 -5.461 0.121 444 HB2 GLN 72 2HB GLN 72 13.062 -6.962 -1.620 445 HB3 GLN 72 1HB GLN 72 14.066 -7.698 -0.385 446 HG2 GLN 72 2HG GLN 72 12.929 -6.350 1.324 447 HG3 GLN 72 1HG GLN 72 11.920 -5.638 0.071 448 HE21 GLN 72 1HE2 GLN 72 11.787 -8.297 -1.326 449 HE22 GLN 72 2HE2 GLN 72 10.645 -9.196 -0.418 450 H ARG 73 H ARG 73 14.469 -5.748 -3.450 451 HA ARG 73 HA ARG 73 16.975 -7.075 -3.656 452 HB2 ARG 73 2HB ARG 73 16.937 -6.913 -6.130 453 HB3 ARG 73 1HB ARG 73 15.471 -7.609 -5.487 454 HG2 ARG 73 2HG ARG 73 15.338 -4.727 -5.981 455 HG3 ARG 73 1HG ARG 73 15.607 -5.714 -7.417 456 HD2 ARG 73 2HD ARG 73 13.392 -6.128 -5.409 457 HD3 ARG 73 1HD ARG 73 13.242 -5.302 -6.970 458 HE ARG 73 HE ARG 73 14.096 -7.548 -7.843 459 HH11 ARG 73 1HH1 ARG 73 11.926 -7.273 -5.070 460 HH12 ARG 73 2HH1 ARG 73 10.956 -8.618 -5.497 461 HH21 ARG 73 1HH2 ARG 73 12.752 -9.419 -8.428 462 HH22 ARG 73 2HH2 ARG 73 11.444 -9.850 -7.423 463 H GLU 74 H GLU 74 16.136 -3.758 -3.722 464 HA GLU 74 HA GLU 74 18.603 -2.757 -4.613 465 HB2 GLU 74 2HB GLU 74 16.657 -1.556 -2.629 466 HB3 GLU 74 1HB GLU 74 18.016 -0.690 -3.319 467 HG2 GLU 74 2HG GLU 74 15.794 -1.871 -4.968 468 HG3 GLU 74 1HG GLU 74 15.781 -0.223 -4.357 469 H LEU 75 H LEU 75 17.673 -4.040 -1.502 470 HA LEU 75 HA LEU 75 20.005 -3.324 -0.049 471 HB2 LEU 75 2HB LEU 75 18.116 -5.660 0.235 472 HB3 LEU 75 1HB LEU 75 19.435 -5.374 1.346 473 HG LEU 75 HG LEU 75 17.200 -3.382 0.888 474 HD11 LEU 75 1HD1 LEU 75 17.523 -5.432 3.084 475 HD12 LEU 75 2HD1 LEU 75 16.327 -5.510 1.794 476 HD13 LEU 75 3HD1 LEU 75 16.259 -4.207 2.981 477 HD21 LEU 75 3HD2 LEU 75 19.359 -2.538 1.799 478 HD22 LEU 75 1HD2 LEU 75 19.204 -3.691 3.113 479 HD23 LEU 75 2HD2 LEU 75 18.017 -2.395 2.939 480 H LYS 76 H LYS 76 19.486 -5.540 -2.567 481 HA LYS 76 HA LYS 76 21.755 -7.277 -1.979 482 HB2 LYS 76 2HB LYS 76 19.564 -8.176 -2.468 483 HB3 LYS 76 1HB LYS 76 19.470 -7.234 -3.929 484 HG2 LYS 76 2HG LYS 76 21.410 -8.625 -4.762 485 HG3 LYS 76 1HG LYS 76 21.089 -9.681 -3.368 486 HD2 LYS 76 2HD LYS 76 18.726 -9.786 -4.048 487 HD3 LYS 76 1HD LYS 76 19.122 -8.840 -5.465 488 HE2 LYS 76 2HE LYS 76 19.001 -11.169 -6.085 489 HE3 LYS 76 1HE LYS 76 20.668 -10.621 -6.208 490 HZ1 LYS 76 3HZ LYS 76 19.559 -12.115 -3.898 491 HZ2 LYS 76 1HZ LYS 76 21.173 -11.693 -4.141 492 HZ3 LYS 76 2HZ LYS 76 20.437 -12.801 -5.156 493 H ARG 77 H ARG 77 21.015 -4.435 -3.523 494 HA ARG 77 HA ARG 77 21.982 -4.550 -6.174 495 HB2 ARG 77 2HB ARG 77 20.689 -2.767 -4.630 496 HB3 ARG 77 1HB ARG 77 22.290 -2.069 -4.645 497 HG2 ARG 77 2HG ARG 77 22.203 -2.123 -7.124 498 HG3 ARG 77 1HG ARG 77 20.503 -2.603 -6.992 499 HD2 ARG 77 2HD ARG 77 20.379 -0.564 -5.359 500 HD3 ARG 77 1HD ARG 77 21.815 -0.037 -6.230 501 HE ARG 77 HE ARG 77 19.123 -0.384 -7.226 502 HH11 ARG 77 1HH1 ARG 77 22.452 0.406 -8.075 503 HH12 ARG 77 2HH1 ARG 77 22.058 1.562 -9.261 504 HH21 ARG 77 1HH2 ARG 77 18.549 1.198 -8.884 505 HH22 ARG 77 2HH2 ARG 77 19.750 2.012 -9.759 506 H THR 78 H THR 78 23.529 -4.132 -3.124 507 HA THR 78 HA THR 78 25.615 -3.933 -2.391 508 HB THR 78 HB THR 78 26.558 -4.271 -5.269 509 HG1 THR 78 1HG THR 78 25.306 -6.034 -4.564 510 HG21 THR 78 3HG2 THR 78 28.300 -3.397 -3.736 511 HG22 THR 78 1HG2 THR 78 28.658 -5.053 -4.229 512 HG23 THR 78 2HG2 THR 78 27.988 -4.729 -2.628 513 H ASP 79 H ASP 79 24.862 -1.962 -5.218 514 HA ASP 79 HA ASP 79 26.463 0.231 -4.213 515 HB2 ASP 79 2HB ASP 79 24.543 0.167 -6.550 516 HB3 ASP 79 1HB ASP 79 25.480 1.571 -6.079 517 H LEU 80 H LEU 80 25.521 0.270 -2.256 518 HA LEU 80 HA LEU 80 23.619 2.391 -1.772 519 HB2 LEU 80 2HB LEU 80 22.059 1.143 -0.518 520 HB3 LEU 80 1HB LEU 80 22.194 0.167 -1.961 521 HG LEU 80 HG LEU 80 23.737 -0.462 0.571 522 HD11 LEU 80 1HD1 LEU 80 21.317 -0.469 1.045 523 HD12 LEU 80 2HD1 LEU 80 22.044 -2.069 1.132 524 HD13 LEU 80 3HD1 LEU 80 21.096 -1.619 -0.282 525 HD21 LEU 80 3HD2 LEU 80 24.555 -1.542 -1.458 526 HD22 LEU 80 1HD2 LEU 80 22.940 -2.168 -1.783 527 HD23 LEU 80 2HD2 LEU 80 23.828 -2.716 -0.361 528 H ASP 81 H ASP 81 23.898 3.031 0.204 529 HA ASP 81 HA ASP 81 26.116 1.759 1.609 530 HB2 ASP 81 2HB ASP 81 26.433 4.166 0.578 531 HB3 ASP 81 1HB ASP 81 25.374 4.672 1.887 532 H LEU 82 H LEU 82 25.695 3.094 3.957 533 HA LEU 82 HA LEU 82 23.498 1.729 5.029 534 HB2 LEU 82 2HB LEU 82 24.996 4.095 6.152 535 HB3 LEU 82 1HB LEU 82 24.008 2.980 7.076 536 HG LEU 82 HG LEU 82 26.602 2.329 5.683 537 HD11 LEU 82 1HD1 LEU 82 26.914 3.617 7.698 538 HD12 LEU 82 2HD1 LEU 82 27.458 1.955 7.929 539 HD13 LEU 82 3HD1 LEU 82 25.911 2.478 8.600 540 HD21 LEU 82 3HD2 LEU 82 24.801 0.556 7.320 541 HD22 LEU 82 1HD2 LEU 82 26.403 0.120 6.729 542 HD23 LEU 82 2HD2 LEU 82 25.098 0.418 5.585 543 H LEU 83 H LEU 83 23.911 4.848 3.662 544 HA LEU 83 HA LEU 83 21.623 6.247 4.544 545 HB2 LEU 83 2HB LEU 83 23.122 6.325 1.961 546 HB3 LEU 83 1HB LEU 83 21.871 7.468 2.342 547 HG LEU 83 HG LEU 83 23.893 8.610 2.734 548 HD11 LEU 83 1HD1 LEU 83 23.918 9.122 5.094 549 HD12 LEU 83 2HD1 LEU 83 22.939 7.697 5.422 550 HD13 LEU 83 3HD1 LEU 83 22.277 9.017 4.457 551 HD21 LEU 83 3HD2 LEU 83 25.435 6.730 2.767 552 HD22 LEU 83 1HD2 LEU 83 24.859 6.268 4.368 553 HD23 LEU 83 2HD2 LEU 83 25.720 7.791 4.144 554 H GLU 84 H GLU 84 22.098 4.370 1.606 555 HA GLU 84 HA GLU 84 19.372 4.718 0.967 556 HB2 GLU 84 2HB GLU 84 21.496 3.080 -0.335 557 HB3 GLU 84 1HB GLU 84 19.811 3.021 -0.863 558 HG2 GLU 84 2HG GLU 84 19.897 5.490 -1.135 559 HG3 GLU 84 1HG GLU 84 21.627 5.409 -0.808 560 H LYS 85 H LYS 85 21.193 2.216 2.438 561 HA LYS 85 HA LYS 85 19.233 0.247 2.578 562 HB2 LYS 85 2HB LYS 85 21.572 -0.151 3.186 563 HB3 LYS 85 1HB LYS 85 21.417 0.941 4.550 564 HG2 LYS 85 2HG LYS 85 19.823 -0.564 5.605 565 HG3 LYS 85 1HG LYS 85 19.914 -1.647 4.219 566 HD2 LYS 85 2HD LYS 85 22.259 -0.912 5.960 567 HD3 LYS 85 1HD LYS 85 21.292 -2.362 6.184 568 HE2 LYS 85 2HE LYS 85 21.903 -3.099 3.917 569 HE3 LYS 85 1HE LYS 85 22.887 -1.650 3.721 570 HZ1 LYS 85 3HZ LYS 85 23.328 -3.704 5.817 571 HZ2 LYS 85 1HZ LYS 85 24.326 -2.406 5.502 572 HZ3 LYS 85 2HZ LYS 85 24.179 -3.644 4.381 573 H PHE 86 H PHE 86 19.873 3.098 4.544 574 HA PHE 86 HA PHE 86 18.035 2.577 6.483 575 HB2 PHE 86 2HB PHE 86 19.735 4.294 6.760 576 HB3 PHE 86 1HB PHE 86 19.052 5.234 5.449 577 HD1 PHE 86 2HD PHE 86 18.623 4.174 8.929 578 HD2 PHE 86 1HD PHE 86 17.170 6.686 5.821 579 HE1 PHE 86 2HE PHE 86 17.282 5.428 10.569 580 HE2 PHE 86 1HE PHE 86 15.832 7.946 7.450 581 HZ PHE 86 HZ PHE 86 15.886 7.316 9.833 582 H ASN 87 H ASN 87 17.741 3.987 3.376 583 HA ASN 87 HA ASN 87 15.071 4.940 3.638 584 HB2 ASN 87 2HB ASN 87 16.981 4.782 1.341 585 HB3 ASN 87 1HB ASN 87 15.274 5.072 1.034 586 HD21 ASN 87 1HD2 ASN 87 18.193 6.375 2.506 587 HD22 ASN 87 2HD2 ASN 87 17.621 7.987 2.608 588 H PHE 88 H PHE 88 16.590 2.047 2.451 589 HA PHE 88 HA PHE 88 14.185 0.992 1.338 590 HB2 PHE 88 2HB PHE 88 16.533 -0.629 2.349 591 HB3 PHE 88 1HB PHE 88 15.339 -1.147 1.169 592 HD1 PHE 88 1HD PHE 88 15.311 1.524 -0.376 593 HD2 PHE 88 2HD PHE 88 18.419 -0.992 1.027 594 HE1 PHE 88 1HE PHE 88 16.799 2.411 -2.094 595 HE2 PHE 88 2HE PHE 88 19.908 -0.095 -0.697 596 HZ PHE 88 HZ PHE 88 19.118 1.608 -2.209 597 H GLU 89 H GLU 89 15.804 0.719 4.450 598 HA GLU 89 HA GLU 89 13.799 -0.934 5.524 599 HB2 GLU 89 2HB GLU 89 15.874 0.820 6.857 600 HB3 GLU 89 1HB GLU 89 14.773 -0.225 7.749 601 HG2 GLU 89 2HG GLU 89 15.656 -2.165 6.521 602 HG3 GLU 89 1HG GLU 89 16.796 -1.106 5.704 603 H ALA 90 H ALA 90 14.228 2.492 5.078 604 HA ALA 90 HA ALA 90 12.065 3.211 6.761 605 HB1 ALA 90 1HB ALA 90 13.098 4.741 4.364 606 HB2 ALA 90 2HB ALA 90 13.730 4.878 6.006 607 HB3 ALA 90 3HB ALA 90 12.083 5.401 5.648 608 H ALA 91 H ALA 91 12.332 2.474 3.351 609 HA ALA 91 HA ALA 91 9.675 2.909 2.565 610 HB1 ALA 91 1HB ALA 91 11.593 0.882 1.461 611 HB2 ALA 91 2HB ALA 91 11.613 2.579 1.031 612 HB3 ALA 91 3HB ALA 91 10.207 1.586 0.632 613 H LEU 92 H LEU 92 11.322 0.031 3.739 614 HA LEU 92 HA LEU 92 9.135 -1.693 3.550 615 HB2 LEU 92 2HB LEU 92 11.390 -1.751 5.559 616 HB3 LEU 92 1HB LEU 92 10.240 -3.053 5.319 617 HG LEU 92 HG LEU 92 12.259 -2.084 3.293 618 HD11 LEU 92 1HD1 LEU 92 12.164 -4.600 4.940 619 HD12 LEU 92 2HD1 LEU 92 13.301 -3.264 5.134 620 HD13 LEU 92 3HD1 LEU 92 13.331 -4.243 3.668 621 HD21 LEU 92 3HD2 LEU 92 10.284 -4.372 3.171 622 HD22 LEU 92 1HD2 LEU 92 11.568 -4.067 1.999 623 HD23 LEU 92 2HD2 LEU 92 10.259 -2.907 2.189 624 H ALA 93 H ALA 93 10.007 0.613 5.998 625 HA ALA 93 HA ALA 93 7.941 -0.185 7.806 626 HB1 ALA 93 1HB ALA 93 9.955 0.998 8.592 627 HB2 ALA 93 2HB ALA 93 8.479 1.859 9.027 628 HB3 ALA 93 3HB ALA 93 9.459 2.419 7.673 629 H THR 94 H THR 94 8.234 2.145 5.217 630 HA THR 94 HA THR 94 5.914 3.565 5.831 631 HB THR 94 HB THR 94 7.318 3.293 3.154 632 HG1 THR 94 1HG THR 94 8.668 4.084 4.939 633 HG21 THR 94 3HG2 THR 94 5.512 5.476 4.224 634 HG22 THR 94 1HG2 THR 94 5.065 4.301 2.988 635 HG23 THR 94 2HG2 THR 94 6.324 5.489 2.660 636 H GLY 95 H GLY 95 6.689 0.879 3.682 637 HA2 GLY 95 2HA GLY 95 4.127 0.594 2.554 638 HA3 GLY 95 1HA GLY 95 5.419 -0.606 2.555 639 H ASP 96 H ASP 96 5.748 -0.759 5.354 640 HA ASP 96 HA ASP 96 3.912 -2.773 5.975 641 HB2 ASP 96 2HB ASP 96 6.146 -2.656 6.959 642 HB3 ASP 96 1HB ASP 96 5.709 -1.173 7.799 643 H LEU 97 H LEU 97 4.154 0.554 7.091 644 HA LEU 97 HA LEU 97 1.965 0.419 8.839 645 HB2 LEU 97 2HB LEU 97 3.141 2.813 7.456 646 HB3 LEU 97 1HB LEU 97 1.956 2.887 8.748 647 HG LEU 97 HG LEU 97 4.771 1.827 8.946 648 HD11 LEU 97 1HD1 LEU 97 3.452 4.233 10.182 649 HD12 LEU 97 2HD1 LEU 97 4.621 4.247 8.860 650 HD13 LEU 97 3HD1 LEU 97 5.111 3.693 10.460 651 HD21 LEU 97 3HD2 LEU 97 3.307 0.486 10.316 652 HD22 LEU 97 1HD2 LEU 97 2.570 1.931 11.008 653 HD23 LEU 97 2HD2 LEU 97 4.264 1.552 11.347 654 H LEU 98 H LEU 98 2.100 1.573 5.477 655 HA LEU 98 HA LEU 98 -0.689 2.080 5.486 656 HB2 LEU 98 2HB LEU 98 -0.513 2.569 3.169 657 HB3 LEU 98 1HB LEU 98 0.950 3.166 3.921 658 HG LEU 98 HG LEU 98 1.780 0.791 3.226 659 HD11 LEU 98 1HD1 LEU 98 0.964 0.241 0.908 660 HD12 LEU 98 2HD1 LEU 98 -0.328 1.413 1.160 661 HD13 LEU 98 3HD1 LEU 98 -0.216 -0.008 2.192 662 HD21 LEU 98 3HD2 LEU 98 2.782 1.841 1.183 663 HD22 LEU 98 1HD2 LEU 98 2.902 2.853 2.622 664 HD23 LEU 98 2HD2 LEU 98 1.682 3.201 1.400 665 H LEU 99 H LEU 99 1.243 -0.791 4.854 666 HA LEU 99 HA LEU 99 -0.822 -2.201 3.578 667 HB2 LEU 99 2HB LEU 99 1.809 -2.925 4.693 668 HB3 LEU 99 1HB LEU 99 0.649 -4.240 4.540 669 HG LEU 99 HG LEU 99 1.596 -2.457 2.288 670 HD11 LEU 99 1HD1 LEU 99 3.359 -3.916 3.140 671 HD12 LEU 99 2HD1 LEU 99 2.812 -4.433 1.544 672 HD13 LEU 99 3HD1 LEU 99 2.286 -5.307 2.985 673 HD21 LEU 99 3HD2 LEU 99 -0.130 -4.934 2.317 674 HD22 LEU 99 1HD2 LEU 99 0.488 -4.141 0.872 675 HD23 LEU 99 2HD2 LEU 99 -0.655 -3.299 1.905 676 H LYS 100 H LYS 100 0.191 -1.835 6.833 677 HA LYS 100 HA LYS 100 -1.641 -3.650 7.870 678 HB2 LYS 100 2HB LYS 100 -0.060 -1.382 9.025 679 HB3 LYS 100 1HB LYS 100 -1.275 -2.198 9.994 680 HG2 LYS 100 2HG LYS 100 -0.121 -4.266 9.858 681 HG3 LYS 100 1HG LYS 100 0.984 -3.640 8.633 682 HD2 LYS 100 2HD LYS 100 2.068 -2.243 10.172 683 HD3 LYS 100 1HD LYS 100 0.787 -2.421 11.374 684 HE2 LYS 100 2HE LYS 100 2.836 -3.686 11.932 685 HE3 LYS 100 1HE LYS 100 1.421 -4.714 11.764 686 HZ1 LYS 100 3HZ LYS 100 3.506 -4.332 9.661 687 HZ2 LYS 100 1HZ LYS 100 2.182 -5.368 9.580 688 HZ3 LYS 100 2HZ LYS 100 3.397 -5.650 10.692 689 H ASP 101 H ASP 101 -1.743 -0.312 6.860 690 HA ASP 101 HA ASP 101 -4.218 0.233 8.181 691 HB2 ASP 101 2HB ASP 101 -2.621 2.033 7.502 692 HB3 ASP 101 1HB ASP 101 -3.031 1.710 5.821 693 H LEU 102 H LEU 102 -3.215 -0.660 4.999 694 HA LEU 102 HA LEU 102 -5.588 -0.596 3.560 695 HB2 LEU 102 2HB LEU 102 -3.208 -0.918 2.745 696 HB3 LEU 102 1HB LEU 102 -3.354 -2.587 3.236 697 HG LEU 102 HG LEU 102 -5.242 -2.838 1.614 698 HD11 LEU 102 1HD1 LEU 102 -5.387 -1.090 -0.163 699 HD12 LEU 102 2HD1 LEU 102 -4.390 -0.051 0.846 700 HD13 LEU 102 3HD1 LEU 102 -5.977 -0.569 1.411 701 HD21 LEU 102 3HD2 LEU 102 -2.603 -1.917 0.481 702 HD22 LEU 102 1HD2 LEU 102 -3.804 -2.898 -0.359 703 HD23 LEU 102 2HD2 LEU 102 -2.976 -3.544 1.056 704 H LYS 103 H LYS 103 -4.041 -3.284 5.331 705 HA LYS 103 HA LYS 103 -6.223 -5.018 4.835 706 HB2 LYS 103 2HB LYS 103 -3.897 -5.255 6.740 707 HB3 LYS 103 1HB LYS 103 -5.109 -6.511 6.518 708 HG2 LYS 103 2HG LYS 103 -4.506 -6.642 4.131 709 HG3 LYS 103 1HG LYS 103 -3.249 -5.435 4.407 710 HD2 LYS 103 2HD LYS 103 -2.098 -6.892 5.905 711 HD3 LYS 103 1HD LYS 103 -3.404 -8.078 5.848 712 HE2 LYS 103 2HE LYS 103 -1.594 -8.836 4.440 713 HE3 LYS 103 1HE LYS 103 -2.956 -8.376 3.425 714 HZ1 LYS 103 3HZ LYS 103 -1.794 -6.200 3.080 715 HZ2 LYS 103 1HZ LYS 103 -0.941 -7.514 2.452 716 HZ3 LYS 103 2HZ LYS 103 -0.454 -6.865 3.892 717 H ALA 104 H ALA 104 -5.506 -2.732 7.367 718 HA ALA 104 HA ALA 104 -7.418 -3.731 9.210 719 HB1 ALA 104 1HB ALA 104 -6.288 -0.942 8.960 720 HB2 ALA 104 2HB ALA 104 -5.584 -2.248 9.914 721 HB3 ALA 104 3HB ALA 104 -7.162 -1.589 10.348 722 H LEU 105 H LEU 105 -7.475 -1.445 6.545 723 HA LEU 105 HA LEU 105 -10.075 -0.635 7.152 724 HB2 LEU 105 2HB LEU 105 -9.983 0.822 5.365 725 HB3 LEU 105 1HB LEU 105 -8.283 0.608 5.687 726 HG LEU 105 HG LEU 105 -8.575 -1.266 3.846 727 HD11 LEU 105 1HD1 LEU 105 -10.939 -0.983 3.546 728 HD12 LEU 105 2HD1 LEU 105 -10.087 -0.543 2.068 729 HD13 LEU 105 3HD1 LEU 105 -10.719 0.718 3.128 730 HD21 LEU 105 3HD2 LEU 105 -7.750 0.327 2.211 731 HD22 LEU 105 1HD2 LEU 105 -7.038 0.678 3.785 732 HD23 LEU 105 2HD2 LEU 105 -8.365 1.668 3.175 733 H GLN 106 H GLN 106 -8.612 -3.169 5.255 734 HA GLN 106 HA GLN 106 -10.957 -4.148 3.994 735 HB2 GLN 106 2HB GLN 106 -8.656 -5.759 5.109 736 HB3 GLN 106 1HB GLN 106 -9.932 -6.411 4.107 737 HG2 GLN 106 2HG GLN 106 -9.207 -4.961 2.298 738 HG3 GLN 106 1HG GLN 106 -7.881 -4.378 3.310 739 HE21 GLN 106 1HE2 GLN 106 -9.152 -7.080 1.506 740 HE22 GLN 106 2HE2 GLN 106 -7.692 -7.993 1.510 741 H LYS 107 H LYS 107 -9.672 -4.811 7.176 742 HA LYS 107 HA LYS 107 -11.759 -6.544 7.907 743 HB2 LYS 107 2HB LYS 107 -10.126 -4.797 9.765 744 HB3 LYS 107 1HB LYS 107 -10.970 -6.281 10.187 745 HG2 LYS 107 2HG LYS 107 -8.584 -6.041 8.363 746 HG3 LYS 107 1HG LYS 107 -8.584 -6.672 10.003 747 HD2 LYS 107 2HD LYS 107 -9.929 -8.562 9.332 748 HD3 LYS 107 1HD LYS 107 -10.155 -7.877 7.719 749 HE2 LYS 107 2HE LYS 107 -7.809 -8.100 7.238 750 HE3 LYS 107 1HE LYS 107 -7.488 -8.661 8.886 751 HZ1 LYS 107 3HZ LYS 107 -7.560 -10.490 7.378 752 HZ2 LYS 107 1HZ LYS 107 -9.091 -10.072 6.817 753 HZ3 LYS 107 2HZ LYS 107 -8.888 -10.591 8.409 754 H ARG 108 H ARG 108 -11.448 -3.126 7.908 755 HA ARG 108 HA ARG 108 -13.768 -2.463 9.416 756 HB2 ARG 108 2HB ARG 108 -12.012 -0.831 9.116 757 HB3 ARG 108 1HB ARG 108 -12.128 -0.976 7.374 758 HG2 ARG 108 2HG ARG 108 -14.368 0.046 7.468 759 HG3 ARG 108 1HG ARG 108 -14.165 0.265 9.211 760 HD2 ARG 108 2HD ARG 108 -12.256 1.665 8.876 761 HD3 ARG 108 1HD ARG 108 -12.264 1.343 7.143 762 HE ARG 108 HE ARG 108 -14.715 2.462 7.869 763 HH11 ARG 108 1HH1 ARG 108 -11.330 3.412 7.701 764 HH12 ARG 108 2HH1 ARG 108 -11.634 5.052 7.362 765 HH21 ARG 108 1HH2 ARG 108 -15.175 4.699 7.370 766 HH22 ARG 108 2HH2 ARG 108 -13.908 5.803 7.145 767 H VAL 109 H VAL 109 -13.036 -2.680 5.956 768 HA VAL 109 HA VAL 109 -15.509 -2.135 4.986 769 HB VAL 109 HB VAL 109 -13.170 -3.724 3.862 770 HG11 VAL 109 1HG1 VAL 109 -15.203 -4.661 2.852 771 HG12 VAL 109 2HG1 VAL 109 -14.252 -3.731 1.690 772 HG13 VAL 109 3HG1 VAL 109 -15.698 -3.031 2.399 773 HG21 VAL 109 3HG2 VAL 109 -12.917 -1.815 2.452 774 HG22 VAL 109 1HG2 VAL 109 -12.975 -1.307 4.136 775 HG23 VAL 109 2HG2 VAL 109 -14.388 -1.089 3.099 776 H GLN 110 H GLN 110 -13.981 -5.126 5.793 777 HA GLN 110 HA GLN 110 -15.965 -6.962 5.167 778 HB2 GLN 110 2HB GLN 110 -13.696 -7.598 5.424 779 HB3 GLN 110 1HB GLN 110 -13.621 -6.911 7.032 780 HG2 GLN 110 2HG GLN 110 -14.927 -8.568 7.897 781 HG3 GLN 110 1HG GLN 110 -15.288 -9.288 6.302 782 HE21 GLN 110 1HE2 GLN 110 -14.139 -10.547 8.602 783 HE22 GLN 110 2HE2 GLN 110 -12.542 -11.052 8.173 784 H ASP 111 H ASP 111 -15.299 -5.063 8.016 785 HA ASP 111 HA ASP 111 -17.074 -6.371 9.690 786 HB2 ASP 111 2HB ASP 111 -15.297 -5.128 10.667 787 HB3 ASP 111 1HB ASP 111 -15.812 -3.649 9.870 788 H SER 112 H SER 112 -17.325 -3.508 7.669 789 HA SER 112 HA SER 112 -19.853 -2.658 8.625 790 HB2 SER 112 2HB SER 112 -18.426 -1.894 6.088 791 HB3 SER 112 1HB SER 112 -19.742 -1.012 6.860 792 HG SER 112 HG SER 112 -17.937 -1.385 8.704 793 H GLU 113 H GLU 113 -18.913 -4.945 6.143 794 HA GLU 113 HA GLU 113 -21.496 -4.688 4.932 795 HB2 GLU 113 2HB GLU 113 -20.738 -6.436 3.316 796 HB3 GLU 113 1HB GLU 113 -19.754 -4.990 3.337 797 HG2 GLU 113 2HG GLU 113 -18.074 -6.184 4.674 798 HG3 GLU 113 1HG GLU 113 -19.074 -7.639 4.597 Start of MODEL 6 1 H1 ASN 18 1HT ASN 18 11.833 13.127 3.894 2 H2 ASN 18 2HT ASN 18 10.532 13.040 2.790 3 H3 ASN 18 3HT ASN 18 12.089 13.349 2.253 4 HA ASN 18 HA ASN 18 12.855 11.245 2.738 5 HB2 ASN 18 2HB ASN 18 11.613 10.833 4.802 6 HB3 ASN 18 1HB ASN 18 10.096 10.795 3.917 7 HD21 ASN 18 1HD2 ASN 18 9.680 8.731 4.775 8 HD22 ASN 18 2HD2 ASN 18 10.483 7.327 4.218 9 H THR 19 H THR 19 13.048 10.301 0.826 10 HA THR 19 HA THR 19 11.402 10.848 -1.365 11 HB THR 19 HB THR 19 13.139 8.404 -1.112 12 HG1 THR 19 1HG THR 19 13.890 11.135 -1.346 13 HG21 THR 19 3HG2 THR 19 11.895 8.700 -3.212 14 HG22 THR 19 1HG2 THR 19 13.630 8.879 -3.467 15 HG23 THR 19 2HG2 THR 19 12.596 10.307 -3.402 16 H ALA 20 H ALA 20 11.523 8.183 0.919 17 HA ALA 20 HA ALA 20 10.092 6.236 -0.467 18 HB1 ALA 20 1HB ALA 20 11.448 5.765 1.483 19 HB2 ALA 20 2HB ALA 20 9.791 5.196 1.715 20 HB3 ALA 20 3HB ALA 20 10.331 6.678 2.493 21 H THR 21 H THR 21 8.922 8.667 1.891 22 HA THR 21 HA THR 21 6.293 7.696 1.708 23 HB THR 21 HB THR 21 5.922 9.973 2.857 24 HG1 THR 21 1HG THR 21 7.720 10.938 3.519 25 HG21 THR 21 3HG2 THR 21 5.685 7.790 3.945 26 HG22 THR 21 1HG2 THR 21 6.517 8.916 5.017 27 HG23 THR 21 2HG2 THR 21 7.431 7.686 4.140 28 H GLN 22 H GLN 22 8.099 10.246 0.082 29 HA GLN 22 HA GLN 22 5.776 11.451 -1.027 30 HB2 GLN 22 2HB GLN 22 8.623 11.509 -2.043 31 HB3 GLN 22 1HB GLN 22 7.316 12.467 -2.720 32 HG2 GLN 22 2HG GLN 22 7.026 13.446 -0.407 33 HG3 GLN 22 1HG GLN 22 8.558 12.682 0.000 34 HE21 GLN 22 1HE2 GLN 22 6.993 15.120 -1.866 35 HE22 GLN 22 2HE2 GLN 22 8.407 16.009 -2.296 36 H ARG 23 H ARG 23 7.855 8.875 -2.029 37 HA ARG 23 HA ARG 23 6.602 8.478 -4.541 38 HB2 ARG 23 2HB ARG 23 8.854 7.714 -4.235 39 HB3 ARG 23 1HB ARG 23 8.390 6.728 -2.861 40 HG2 ARG 23 2HG ARG 23 7.370 5.119 -4.230 41 HG3 ARG 23 1HG ARG 23 7.323 6.208 -5.618 42 HD2 ARG 23 2HD ARG 23 9.852 5.176 -4.339 43 HD3 ARG 23 1HD ARG 23 9.101 4.481 -5.780 44 HE ARG 23 HE ARG 23 9.314 6.835 -6.685 45 HH11 ARG 23 1HH1 ARG 23 11.737 5.408 -4.507 46 HH12 ARG 23 2HH1 ARG 23 13.022 6.302 -5.156 47 HH21 ARG 23 1HH2 ARG 23 11.095 8.100 -7.517 48 HH22 ARG 23 2HH2 ARG 23 12.662 7.864 -6.897 49 H PHE 24 H PHE 24 6.125 7.093 -1.309 50 HA PHE 24 HA PHE 24 4.022 5.408 -2.371 51 HB2 PHE 24 2HB PHE 24 5.339 5.555 0.336 52 HB3 PHE 24 1HB PHE 24 3.840 4.663 0.103 53 HD1 PHE 24 2HD PHE 24 5.759 4.470 -2.866 54 HD2 PHE 24 1HD PHE 24 5.530 2.818 1.078 55 HE1 PHE 24 2HE PHE 24 7.006 2.500 -3.606 56 HE2 PHE 24 1HE PHE 24 6.765 0.869 0.312 57 HZ PHE 24 HZ PHE 24 7.504 0.691 -2.017 58 H HIS 25 H HIS 25 4.113 8.490 -1.711 59 HA HIS 25 HA HIS 25 1.807 8.909 -0.115 60 HB2 HIS 25 2HB HIS 25 3.532 10.685 -0.617 61 HB3 HIS 25 1HB HIS 25 2.918 10.751 -2.261 62 HD1 HIS 25 1HD HIS 25 2.188 11.871 1.210 63 HD2 HIS 25 2HD HIS 25 0.392 12.054 -2.527 64 HE1 HIS 25 1HE HIS 25 0.399 13.617 1.405 65 HE2 HIS 25 2HE HIS 25 -0.906 13.309 -0.703 66 H GLU 26 H GLU 26 2.389 8.288 -3.467 67 HA GLU 26 HA GLU 26 -0.120 8.889 -4.593 68 HB2 GLU 26 2HB GLU 26 1.965 8.371 -5.856 69 HB3 GLU 26 1HB GLU 26 1.839 6.703 -5.336 70 HG2 GLU 26 2HG GLU 26 1.055 6.882 -7.583 71 HG3 GLU 26 1HG GLU 26 -0.313 6.534 -6.530 72 H ILE 27 H ILE 27 1.176 6.052 -3.049 73 HA ILE 27 HA ILE 27 -1.134 4.435 -3.517 74 HB ILE 27 HB ILE 27 1.235 3.934 -1.674 75 HG12 ILE 27 2HG1 ILE 27 0.799 3.058 -4.542 76 HG13 ILE 27 1HG1 ILE 27 1.820 4.406 -4.070 77 HG21 ILE 27 1HG2 ILE 27 0.601 1.559 -1.937 78 HG22 ILE 27 2HG2 ILE 27 -0.787 2.043 -2.914 79 HG23 ILE 27 3HG2 ILE 27 -0.710 2.492 -1.213 80 HD11 ILE 27 3HD1 ILE 27 3.268 2.861 -2.852 81 HD12 ILE 27 1HD1 ILE 27 3.121 2.437 -4.558 82 HD13 ILE 27 2HD1 ILE 27 2.231 1.518 -3.343 83 H GLU 28 H GLU 28 0.179 6.351 -0.908 84 HA GLU 28 HA GLU 28 -1.640 5.589 1.096 85 HB2 GLU 28 2HB GLU 28 0.493 6.761 1.520 86 HB3 GLU 28 1HB GLU 28 -0.167 8.195 0.757 87 HG2 GLU 28 2HG GLU 28 -1.834 8.390 2.503 88 HG3 GLU 28 1HG GLU 28 -1.229 6.915 3.261 89 H LYS 29 H LYS 29 -1.678 8.301 -1.184 90 HA LYS 29 HA LYS 29 -4.176 9.281 -0.329 91 HB2 LYS 29 2HB LYS 29 -4.243 10.631 -2.435 92 HB3 LYS 29 1HB LYS 29 -2.703 10.760 -1.608 93 HG2 LYS 29 2HG LYS 29 -2.026 10.576 -3.771 94 HG3 LYS 29 1HG LYS 29 -1.977 8.891 -3.266 95 HD2 LYS 29 2HD LYS 29 -3.116 8.588 -5.189 96 HD3 LYS 29 1HD LYS 29 -4.504 9.018 -4.187 97 HE2 LYS 29 2HE LYS 29 -4.571 10.299 -6.245 98 HE3 LYS 29 1HE LYS 29 -4.226 11.380 -4.895 99 HZ1 LYS 29 3HZ LYS 29 -2.784 11.727 -6.901 100 HZ2 LYS 29 1HZ LYS 29 -2.156 10.187 -6.635 101 HZ3 LYS 29 2HZ LYS 29 -1.903 11.395 -5.500 102 H PHE 30 H PHE 30 -3.317 6.841 -2.642 103 HA PHE 30 HA PHE 30 -5.817 6.323 -3.791 104 HB2 PHE 30 2HB PHE 30 -3.519 5.404 -4.404 105 HB3 PHE 30 1HB PHE 30 -3.758 4.331 -3.021 106 HD1 PHE 30 1HD PHE 30 -5.198 5.243 -6.314 107 HD2 PHE 30 2HD PHE 30 -4.918 2.305 -3.253 108 HE1 PHE 30 1HE PHE 30 -6.356 3.633 -7.763 109 HE2 PHE 30 2HE PHE 30 -6.082 0.689 -4.697 110 HZ PHE 30 HZ PHE 30 -6.801 1.353 -6.956 111 H LEU 31 H LEU 31 -4.234 5.072 -0.875 112 HA LEU 31 HA LEU 31 -6.217 3.297 -0.004 113 HB2 LEU 31 2HB LEU 31 -3.871 3.412 0.834 114 HB3 LEU 31 1HB LEU 31 -4.233 4.925 1.614 115 HG LEU 31 HG LEU 31 -5.570 2.325 2.419 116 HD11 LEU 31 1HD1 LEU 31 -3.153 2.083 2.635 117 HD12 LEU 31 2HD1 LEU 31 -3.910 2.218 4.223 118 HD13 LEU 31 3HD1 LEU 31 -3.072 3.604 3.522 119 HD21 LEU 31 3HD2 LEU 31 -5.944 3.499 4.542 120 HD22 LEU 31 1HD2 LEU 31 -6.675 4.383 3.203 121 HD23 LEU 31 2HD2 LEU 31 -5.151 4.936 3.896 122 H LEU 32 H LEU 32 -5.735 6.737 0.594 123 HA LEU 32 HA LEU 32 -7.883 7.092 2.348 124 HB2 LEU 32 2HB LEU 32 -6.968 9.172 0.368 125 HB3 LEU 32 1HB LEU 32 -7.736 9.453 1.915 126 HG LEU 32 HG LEU 32 -5.036 8.348 1.430 127 HD11 LEU 32 1HD1 LEU 32 -5.132 10.739 0.949 128 HD12 LEU 32 2HD1 LEU 32 -4.252 10.502 2.460 129 HD13 LEU 32 3HD1 LEU 32 -5.926 11.044 2.493 130 HD21 LEU 32 3HD2 LEU 32 -5.912 7.399 3.471 131 HD22 LEU 32 1HD2 LEU 32 -6.384 8.997 4.054 132 HD23 LEU 32 2HD2 LEU 32 -4.677 8.587 3.887 133 H HIS 33 H HIS 33 -7.503 7.372 -1.040 134 HA HIS 33 HA HIS 33 -10.112 8.075 -1.809 135 HB2 HIS 33 2HB HIS 33 -8.257 8.191 -3.416 136 HB3 HIS 33 1HB HIS 33 -8.078 6.443 -3.366 137 HD1 HIS 33 1HD HIS 33 -10.085 9.154 -4.908 138 HD2 HIS 33 2HD HIS 33 -10.056 5.019 -4.810 139 HE1 HIS 33 1HE HIS 33 -11.612 8.430 -6.761 140 HE2 HIS 33 2HE HIS 33 -11.902 5.979 -6.270 141 H ILE 34 H ILE 34 -8.724 4.874 -1.187 142 HA ILE 34 HA ILE 34 -10.952 3.344 -1.909 143 HB ILE 34 HB ILE 34 -8.758 2.832 0.124 144 HG12 ILE 34 2HG1 ILE 34 -9.199 1.727 -2.658 145 HG13 ILE 34 1HG1 ILE 34 -8.028 2.960 -2.209 146 HG21 ILE 34 1HG2 ILE 34 -10.688 1.513 0.800 147 HG22 ILE 34 2HG2 ILE 34 -9.402 0.479 0.182 148 HG23 ILE 34 3HG2 ILE 34 -10.805 0.826 -0.822 149 HD11 ILE 34 3HD1 ILE 34 -6.993 0.766 -2.488 150 HD12 ILE 34 1HD1 ILE 34 -8.063 0.120 -1.244 151 HD13 ILE 34 2HD1 ILE 34 -6.853 1.331 -0.819 152 H THR 35 H THR 35 -10.103 4.888 1.131 153 HA THR 35 HA THR 35 -12.295 3.914 2.636 154 HB THR 35 HB THR 35 -10.889 6.542 3.008 155 HG1 THR 35 1HG THR 35 -9.309 4.781 2.876 156 HG21 THR 35 3HG2 THR 35 -12.836 6.186 4.447 157 HG22 THR 35 1HG2 THR 35 -11.353 6.160 5.402 158 HG23 THR 35 2HG2 THR 35 -12.163 4.648 4.992 159 H HIS 36 H HIS 36 -11.799 6.798 0.676 160 HA HIS 36 HA HIS 36 -14.374 7.934 1.130 161 HB2 HIS 36 2HB HIS 36 -12.244 8.478 -0.918 162 HB3 HIS 36 1HB HIS 36 -13.836 9.200 -1.088 163 HD1 HIS 36 1HD HIS 36 -14.132 11.385 0.055 164 HD2 HIS 36 2HD HIS 36 -11.013 9.204 1.712 165 HE1 HIS 36 1HE HIS 36 -13.052 12.912 1.717 166 HE2 HIS 36 2HE HIS 36 -11.093 11.610 2.613 167 H GLU 37 H GLU 37 -13.123 5.656 -1.169 168 HA GLU 37 HA GLU 37 -15.245 5.540 -2.945 169 HB2 GLU 37 2HB GLU 37 -12.897 4.529 -3.060 170 HB3 GLU 37 1HB GLU 37 -13.531 3.243 -2.054 171 HG2 GLU 37 2HG GLU 37 -13.609 2.429 -4.226 172 HG3 GLU 37 1HG GLU 37 -15.266 2.907 -3.851 173 H VAL 38 H VAL 38 -14.596 3.859 0.143 174 HA VAL 38 HA VAL 38 -16.760 2.172 0.241 175 HB VAL 38 HB VAL 38 -15.244 3.594 2.473 176 HG11 VAL 38 1HG1 VAL 38 -16.157 1.864 3.981 177 HG12 VAL 38 2HG1 VAL 38 -17.124 1.219 2.652 178 HG13 VAL 38 3HG1 VAL 38 -17.450 2.837 3.275 179 HG21 VAL 38 3HG2 VAL 38 -13.838 2.111 1.160 180 HG22 VAL 38 1HG2 VAL 38 -14.992 0.793 1.380 181 HG23 VAL 38 2HG2 VAL 38 -14.122 1.436 2.767 182 H ASP 39 H ASP 39 -16.287 5.433 1.376 183 HA ASP 39 HA ASP 39 -18.769 5.805 2.463 184 HB2 ASP 39 2HB ASP 39 -17.091 7.391 2.985 185 HB3 ASP 39 1HB ASP 39 -16.796 7.750 1.292 186 H ASP 40 H ASP 40 -17.587 6.359 -0.789 187 HA ASP 40 HA ASP 40 -19.840 7.593 -1.901 188 HB2 ASP 40 2HB ASP 40 -17.557 7.631 -2.899 189 HB3 ASP 40 1HB ASP 40 -17.726 5.929 -3.264 190 H LEU 41 H LEU 41 -18.700 4.259 -1.835 191 HA LEU 41 HA LEU 41 -20.814 3.403 -3.443 192 HB2 LEU 41 2HB LEU 41 -20.090 1.077 -2.867 193 HB3 LEU 41 1HB LEU 41 -18.911 2.086 -3.661 194 HG LEU 41 HG LEU 41 -17.981 2.470 -1.313 195 HD11 LEU 41 1HD1 LEU 41 -19.582 -0.008 -0.794 196 HD12 LEU 41 2HD1 LEU 41 -19.762 1.556 -0.003 197 HD13 LEU 41 3HD1 LEU 41 -18.295 0.615 0.235 198 HD21 LEU 41 3HD2 LEU 41 -17.740 -0.176 -2.701 199 HD22 LEU 41 1HD2 LEU 41 -16.624 0.433 -1.475 200 HD23 LEU 41 2HD2 LEU 41 -16.799 1.283 -3.011 201 H GLU 42 H GLU 42 -20.403 3.659 -0.052 202 HA GLU 42 HA GLU 42 -22.589 2.208 0.705 203 HB2 GLU 42 2HB GLU 42 -21.306 4.622 1.927 204 HB3 GLU 42 1HB GLU 42 -22.673 3.818 2.690 205 HG2 GLU 42 2HG GLU 42 -20.056 2.516 2.011 206 HG3 GLU 42 1HG GLU 42 -20.488 3.136 3.597 207 H LYS 43 H LYS 43 -22.403 5.525 -0.609 208 HA LYS 43 HA LYS 43 -25.298 5.641 -0.200 209 HB2 LYS 43 2HB LYS 43 -25.197 8.065 -0.810 210 HB3 LYS 43 1HB LYS 43 -24.244 7.659 0.596 211 HG2 LYS 43 2HG LYS 43 -23.015 9.254 -0.664 212 HG3 LYS 43 1HG LYS 43 -22.207 7.708 -0.897 213 HD2 LYS 43 2HD LYS 43 -23.315 7.477 -3.078 214 HD3 LYS 43 1HD LYS 43 -24.129 9.016 -2.831 215 HE2 LYS 43 2HE LYS 43 -22.004 10.177 -2.843 216 HE3 LYS 43 1HE LYS 43 -21.135 8.646 -2.937 217 HZ1 LYS 43 3HZ LYS 43 -21.273 9.643 -5.108 218 HZ2 LYS 43 1HZ LYS 43 -22.956 9.744 -5.009 219 HZ3 LYS 43 2HZ LYS 43 -22.234 8.241 -5.074 220 H THR 44 H THR 44 -23.151 4.853 -2.496 221 HA THR 44 HA THR 44 -24.718 5.658 -4.765 222 HB THR 44 HB THR 44 -22.010 4.498 -4.362 223 HG1 THR 44 1HG THR 44 -21.280 6.329 -5.018 224 HG21 THR 44 3HG2 THR 44 -22.780 3.373 -6.271 225 HG22 THR 44 1HG2 THR 44 -21.591 4.606 -6.709 226 HG23 THR 44 2HG2 THR 44 -23.331 4.907 -7.016 227 H GLY 45 H GLY 45 -23.833 2.610 -3.169 228 HA2 GLY 45 2HA GLY 45 -26.119 1.261 -3.987 229 HA3 GLY 45 1HA GLY 45 -24.911 0.953 -5.223 230 H ASN 46 H ASN 46 -22.659 0.594 -3.947 231 HA ASN 46 HA ASN 46 -21.321 -0.854 -2.920 232 HB2 ASN 46 2HB ASN 46 -21.628 -1.419 -0.525 233 HB3 ASN 46 1HB ASN 46 -21.916 0.282 -0.812 234 HD21 ASN 46 1HD2 ASN 46 -23.372 -2.781 0.045 235 HD22 ASN 46 2HD2 ASN 46 -24.836 -2.141 0.669 236 H LYS 47 H LYS 47 -23.039 -1.877 -4.731 237 HA LYS 47 HA LYS 47 -24.501 -4.115 -3.848 238 HB2 LYS 47 2HB LYS 47 -23.398 -3.527 -6.579 239 HB3 LYS 47 1HB LYS 47 -24.660 -4.694 -6.233 240 HG2 LYS 47 2HG LYS 47 -26.136 -2.923 -5.501 241 HG3 LYS 47 1HG LYS 47 -24.851 -1.733 -5.726 242 HD2 LYS 47 2HD LYS 47 -24.763 -2.302 -8.102 243 HD3 LYS 47 1HD LYS 47 -26.087 -3.445 -7.876 244 HE2 LYS 47 2HE LYS 47 -27.539 -1.605 -7.182 245 HE3 LYS 47 1HE LYS 47 -26.206 -0.469 -7.390 246 HZ1 LYS 47 3HZ LYS 47 -27.630 -0.445 -9.326 247 HZ2 LYS 47 1HZ LYS 47 -27.439 -2.107 -9.534 248 HZ3 LYS 47 2HZ LYS 47 -26.137 -1.062 -9.730 249 H ASP 48 H ASP 48 -21.461 -3.957 -5.592 250 HA ASP 48 HA ASP 48 -20.385 -6.269 -4.162 251 HB2 ASP 48 2HB ASP 48 -21.373 -7.385 -6.069 252 HB3 ASP 48 1HB ASP 48 -20.709 -6.205 -7.183 253 H GLU 49 H GLU 49 -20.126 -3.353 -5.579 254 HA GLU 49 HA GLU 49 -17.468 -3.024 -6.376 255 HB2 GLU 49 2HB GLU 49 -18.003 -0.634 -6.080 256 HB3 GLU 49 1HB GLU 49 -19.256 -1.485 -6.974 257 HG2 GLU 49 2HG GLU 49 -20.405 -1.726 -4.684 258 HG3 GLU 49 1HG GLU 49 -19.317 -0.440 -4.177 259 H LYS 50 H LYS 50 -18.932 -2.938 -3.250 260 HA LYS 50 HA LYS 50 -16.744 -1.776 -1.922 261 HB2 LYS 50 2HB LYS 50 -19.091 -1.942 -1.118 262 HB3 LYS 50 1HB LYS 50 -18.836 -3.646 -0.862 263 HG2 LYS 50 2HG LYS 50 -17.472 -3.304 0.982 264 HG3 LYS 50 1HG LYS 50 -17.116 -1.625 0.529 265 HD2 LYS 50 2HD LYS 50 -19.197 -0.909 0.976 266 HD3 LYS 50 1HD LYS 50 -19.919 -2.535 1.110 267 HE2 LYS 50 2HE LYS 50 -18.374 -2.660 3.201 268 HE3 LYS 50 1HE LYS 50 -18.222 -0.911 2.991 269 HZ1 LYS 50 3HZ LYS 50 -20.758 -2.399 3.311 270 HZ2 LYS 50 1HZ LYS 50 -20.642 -0.741 3.040 271 HZ3 LYS 50 2HZ LYS 50 -20.074 -1.396 4.495 272 H ALA 51 H ALA 51 -17.724 -5.138 -2.303 273 HA ALA 51 HA ALA 51 -15.385 -6.236 -1.146 274 HB1 ALA 51 1HB ALA 51 -17.430 -7.562 -1.440 275 HB2 ALA 51 2HB ALA 51 -16.057 -8.351 -2.217 276 HB3 ALA 51 3HB ALA 51 -17.240 -7.476 -3.189 277 H ARG 52 H ARG 52 -16.224 -5.335 -4.424 278 HA ARG 52 HA ARG 52 -13.973 -6.265 -5.814 279 HB2 ARG 52 2HB ARG 52 -16.049 -5.410 -6.876 280 HB3 ARG 52 1HB ARG 52 -15.620 -3.793 -6.344 281 HG2 ARG 52 2HG ARG 52 -13.642 -3.835 -7.756 282 HG3 ARG 52 1HG ARG 52 -14.050 -5.466 -8.294 283 HD2 ARG 52 2HD ARG 52 -14.774 -3.906 -9.953 284 HD3 ARG 52 1HD ARG 52 -16.200 -4.584 -9.167 285 HE ARG 52 HE ARG 52 -15.167 -2.025 -8.205 286 HH11 ARG 52 1HH1 ARG 52 -17.731 -3.741 -9.933 287 HH12 ARG 52 2HH1 ARG 52 -18.733 -2.369 -10.087 288 HH21 ARG 52 1HH2 ARG 52 -16.531 -0.173 -8.435 289 HH22 ARG 52 2HH2 ARG 52 -18.050 -0.282 -9.217 290 H LEU 53 H LEU 53 -14.588 -3.154 -4.199 291 HA LEU 53 HA LEU 53 -12.211 -1.908 -4.742 292 HB2 LEU 53 2HB LEU 53 -14.080 -0.743 -3.927 293 HB3 LEU 53 1HB LEU 53 -14.189 -1.764 -2.509 294 HG LEU 53 HG LEU 53 -12.097 -0.991 -1.833 295 HD11 LEU 53 1HD1 LEU 53 -12.393 0.939 -4.155 296 HD12 LEU 53 2HD1 LEU 53 -11.027 -0.113 -3.791 297 HD13 LEU 53 3HD1 LEU 53 -11.333 1.313 -2.801 298 HD21 LEU 53 3HD2 LEU 53 -12.915 1.242 -0.993 299 HD22 LEU 53 1HD2 LEU 53 -14.042 -0.101 -0.807 300 HD23 LEU 53 2HD2 LEU 53 -14.269 1.064 -2.109 301 H LEU 54 H LEU 54 -13.064 -4.118 -2.063 302 HA LEU 54 HA LEU 54 -10.607 -3.931 -0.822 303 HB2 LEU 54 2HB LEU 54 -12.858 -5.851 -0.757 304 HB3 LEU 54 1HB LEU 54 -11.334 -6.353 -0.045 305 HG LEU 54 HG LEU 54 -11.335 -4.506 1.432 306 HD11 LEU 54 1HD1 LEU 54 -13.134 -2.913 1.658 307 HD12 LEU 54 2HD1 LEU 54 -13.923 -3.590 0.230 308 HD13 LEU 54 3HD1 LEU 54 -12.354 -2.798 0.083 309 HD21 LEU 54 3HD2 LEU 54 -12.511 -6.483 2.178 310 HD22 LEU 54 1HD2 LEU 54 -14.004 -5.878 1.464 311 HD23 LEU 54 2HD2 LEU 54 -13.278 -5.033 2.833 312 H ARG 55 H ARG 55 -11.670 -5.774 -3.438 313 HA ARG 55 HA ARG 55 -9.293 -7.366 -3.682 314 HB2 ARG 55 2HB ARG 55 -11.708 -6.950 -5.338 315 HB3 ARG 55 1HB ARG 55 -10.272 -7.420 -6.222 316 HG2 ARG 55 2HG ARG 55 -11.823 -9.294 -5.553 317 HG3 ARG 55 1HG ARG 55 -10.136 -9.504 -5.114 318 HD2 ARG 55 2HD ARG 55 -12.247 -8.502 -3.191 319 HD3 ARG 55 1HD ARG 55 -11.862 -10.213 -3.385 320 HE ARG 55 HE ARG 55 -9.469 -8.928 -2.913 321 HH11 ARG 55 1HH1 ARG 55 -12.387 -9.673 -1.073 322 HH12 ARG 55 2HH1 ARG 55 -11.676 -9.358 0.435 323 HH21 ARG 55 1HH2 ARG 55 -8.517 -8.501 -0.928 324 HH22 ARG 55 2HH2 ARG 55 -9.364 -8.615 0.547 325 H GLU 56 H GLU 56 -10.156 -4.194 -4.627 326 HA GLU 56 HA GLU 56 -8.053 -3.640 -6.444 327 HB2 GLU 56 2HB GLU 56 -10.122 -2.288 -6.215 328 HB3 GLU 56 1HB GLU 56 -9.640 -1.846 -4.592 329 HG2 GLU 56 2HG GLU 56 -9.191 -0.015 -5.960 330 HG3 GLU 56 1HG GLU 56 -7.641 -0.762 -5.579 331 H LEU 57 H LEU 57 -8.473 -3.464 -2.921 332 HA LEU 57 HA LEU 57 -5.903 -2.353 -2.584 333 HB2 LEU 57 2HB LEU 57 -6.177 -2.500 -0.163 334 HB3 LEU 57 1HB LEU 57 -7.576 -1.780 -0.904 335 HG LEU 57 HG LEU 57 -8.624 -4.142 -0.623 336 HD11 LEU 57 1HD1 LEU 57 -6.419 -4.300 1.416 337 HD12 LEU 57 2HD1 LEU 57 -6.595 -5.314 -0.014 338 HD13 LEU 57 3HD1 LEU 57 -7.792 -5.400 1.280 339 HD21 LEU 57 3HD2 LEU 57 -9.377 -2.154 0.546 340 HD22 LEU 57 1HD2 LEU 57 -8.080 -2.337 1.728 341 HD23 LEU 57 2HD2 LEU 57 -9.364 -3.543 1.632 342 H THR 58 H THR 58 -7.141 -5.553 -2.714 343 HA THR 58 HA THR 58 -4.871 -6.859 -1.834 344 HB THR 58 HB THR 58 -6.670 -7.763 -4.117 345 HG1 THR 58 1HG THR 58 -6.873 -7.747 -1.334 346 HG21 THR 58 3HG2 THR 58 -6.077 -10.027 -3.333 347 HG22 THR 58 1HG2 THR 58 -5.027 -9.326 -2.103 348 HG23 THR 58 2HG2 THR 58 -4.635 -9.127 -3.809 349 H VAL 59 H VAL 59 -5.724 -5.499 -4.977 350 HA VAL 59 HA VAL 59 -3.326 -6.165 -6.327 351 HB VAL 59 HB VAL 59 -5.144 -3.766 -6.816 352 HG11 VAL 59 1HG1 VAL 59 -4.201 -3.747 -9.085 353 HG12 VAL 59 2HG1 VAL 59 -3.110 -5.056 -8.632 354 HG13 VAL 59 3HG1 VAL 59 -2.956 -3.479 -7.861 355 HG21 VAL 59 3HG2 VAL 59 -5.142 -6.496 -8.100 356 HG22 VAL 59 1HG2 VAL 59 -6.159 -5.137 -8.586 357 HG23 VAL 59 2HG2 VAL 59 -6.362 -5.863 -6.993 358 H SER 60 H SER 60 -4.302 -3.506 -4.297 359 HA SER 60 HA SER 60 -2.070 -1.871 -4.637 360 HB2 SER 60 2HB SER 60 -3.826 -2.074 -2.186 361 HB3 SER 60 1HB SER 60 -2.784 -0.717 -2.612 362 HG SER 60 HG SER 60 -4.777 -1.573 -4.442 363 H GLU 61 H GLU 61 -2.669 -4.328 -2.224 364 HA GLU 61 HA GLU 61 -0.160 -4.025 -0.942 365 HB2 GLU 61 2HB GLU 61 -0.550 -6.131 0.203 366 HB3 GLU 61 1HB GLU 61 -2.056 -5.233 0.155 367 HG2 GLU 61 2HG GLU 61 -2.819 -6.653 -1.683 368 HG3 GLU 61 1HG GLU 61 -1.301 -7.532 -1.630 369 H ALA 62 H ALA 62 -1.189 -5.735 -3.764 370 HA ALA 62 HA ALA 62 1.009 -7.465 -4.013 371 HB1 ALA 62 1HB ALA 62 0.324 -7.793 -6.317 372 HB2 ALA 62 2HB ALA 62 -0.716 -6.369 -6.224 373 HB3 ALA 62 3HB ALA 62 -1.084 -7.794 -5.252 374 H PHE 63 H PHE 63 0.530 -4.191 -5.354 375 HA PHE 63 HA PHE 63 3.172 -4.444 -6.472 376 HB2 PHE 63 2HB PHE 63 3.012 -1.959 -7.069 377 HB3 PHE 63 1HB PHE 63 1.875 -3.033 -7.862 378 HD1 PHE 63 1HD PHE 63 2.235 -0.619 -5.081 379 HD2 PHE 63 2HD PHE 63 -0.368 -2.682 -7.716 380 HE1 PHE 63 1HE PHE 63 0.357 0.744 -4.292 381 HE2 PHE 63 2HE PHE 63 -2.239 -1.327 -6.939 382 HZ PHE 63 HZ PHE 63 -1.895 0.337 -5.211 383 H ILE 64 H ILE 64 1.844 -3.136 -3.607 384 HA ILE 64 HA ILE 64 4.154 -1.872 -2.688 385 HB ILE 64 HB ILE 64 1.776 -3.059 -1.318 386 HG12 ILE 64 2HG1 ILE 64 1.688 -0.786 -2.277 387 HG13 ILE 64 1HG1 ILE 64 1.418 -0.821 -0.535 388 HG21 ILE 64 1HG2 ILE 64 2.615 -2.464 0.892 389 HG22 ILE 64 2HG2 ILE 64 4.172 -2.041 0.185 390 HG23 ILE 64 3HG2 ILE 64 3.617 -3.712 0.138 391 HD11 ILE 64 3HD1 ILE 64 3.974 0.020 -1.930 392 HD12 ILE 64 1HD1 ILE 64 3.764 -0.092 -0.185 393 HD13 ILE 64 2HD1 ILE 64 2.827 1.064 -1.106 394 H GLU 65 H GLU 65 3.164 -5.264 -2.309 395 HA GLU 65 HA GLU 65 5.537 -5.847 -0.885 396 HB2 GLU 65 2HB GLU 65 3.373 -7.151 -0.767 397 HB3 GLU 65 1HB GLU 65 3.794 -7.847 -2.325 398 HG2 GLU 65 2HG GLU 65 5.732 -8.867 -1.433 399 HG3 GLU 65 1HG GLU 65 5.545 -7.998 0.093 400 H GLY 66 H GLY 66 4.693 -5.787 -4.247 401 HA2 GLY 66 2HA GLY 66 6.968 -7.094 -5.277 402 HA3 GLY 66 1HA GLY 66 5.987 -5.907 -6.134 403 H SER 67 H SER 67 6.337 -3.640 -4.554 404 HA SER 67 HA SER 67 8.892 -2.819 -5.402 405 HB2 SER 67 2HB SER 67 8.267 -0.696 -4.111 406 HB3 SER 67 1HB SER 67 7.200 -1.161 -5.436 407 HG SER 67 HG SER 67 5.685 -1.653 -4.095 408 H ARG 68 H ARG 68 7.502 -3.786 -2.357 409 HA ARG 68 HA ARG 68 9.739 -3.195 -0.824 410 HB2 ARG 68 2HB ARG 68 7.643 -5.322 -0.403 411 HB3 ARG 68 1HB ARG 68 8.899 -4.989 0.770 412 HG2 ARG 68 2HG ARG 68 8.036 -2.828 1.204 413 HG3 ARG 68 1HG ARG 68 6.919 -2.931 -0.165 414 HD2 ARG 68 2HD ARG 68 5.778 -3.305 1.960 415 HD3 ARG 68 1HD ARG 68 5.737 -4.745 0.952 416 HE ARG 68 HE ARG 68 7.842 -4.555 2.952 417 HH11 ARG 68 1HH1 ARG 68 4.738 -6.038 2.001 418 HH12 ARG 68 2HH1 ARG 68 4.787 -7.209 3.224 419 HH21 ARG 68 1HH2 ARG 68 7.870 -6.130 4.582 420 HH22 ARG 68 2HH2 ARG 68 6.611 -7.269 4.753 421 H GLY 69 H GLY 69 8.896 -6.065 -2.589 422 HA2 GLY 69 2HA GLY 69 11.181 -7.529 -1.900 423 HA3 GLY 69 1HA GLY 69 10.189 -7.763 -3.337 424 H TYR 70 H TYR 70 10.655 -4.886 -3.999 425 HA TYR 70 HA TYR 70 12.926 -5.338 -5.746 426 HB2 TYR 70 2HB TYR 70 10.961 -3.886 -6.412 427 HB3 TYR 70 1HB TYR 70 11.462 -2.730 -5.195 428 HD1 TYR 70 1HD TYR 70 13.503 -1.298 -5.575 429 HD2 TYR 70 2HD TYR 70 12.124 -4.090 -8.507 430 HE1 TYR 70 1HE TYR 70 14.864 -0.193 -7.275 431 HE2 TYR 70 2HE TYR 70 13.506 -2.975 -10.205 432 HH TYR 70 HH TYR 70 15.910 -0.727 -9.442 433 H PHE 71 H PHE 71 12.135 -3.259 -3.075 434 HA PHE 71 HA PHE 71 14.616 -2.079 -2.746 435 HB2 PHE 71 2HB PHE 71 12.320 -2.514 -0.874 436 HB3 PHE 71 1HB PHE 71 13.690 -1.548 -0.377 437 HD1 PHE 71 1HD PHE 71 14.337 0.021 -2.733 438 HD2 PHE 71 2HD PHE 71 10.517 -1.134 -1.261 439 HE1 PHE 71 1HE PHE 71 13.325 1.939 -3.876 440 HE2 PHE 71 2HE PHE 71 9.500 0.786 -2.410 441 HZ PHE 71 HZ PHE 71 10.899 2.323 -3.718 442 H GLN 72 H GLN 72 13.315 -5.025 -1.320 443 HA GLN 72 HA GLN 72 15.543 -5.576 0.321 444 HB2 GLN 72 2HB GLN 72 13.478 -7.410 -0.875 445 HB3 GLN 72 1HB GLN 72 14.705 -7.947 0.263 446 HG2 GLN 72 2HG GLN 72 13.837 -6.397 1.936 447 HG3 GLN 72 1HG GLN 72 12.624 -5.843 0.786 448 HE21 GLN 72 1HE2 GLN 72 13.670 -8.466 2.766 449 HE22 GLN 72 2HE2 GLN 72 12.193 -9.352 2.730 450 H ARG 73 H ARG 73 14.852 -6.426 -3.034 451 HA ARG 73 HA ARG 73 17.180 -8.044 -3.339 452 HB2 ARG 73 2HB ARG 73 15.163 -6.929 -5.223 453 HB3 ARG 73 1HB ARG 73 16.695 -7.468 -5.885 454 HG2 ARG 73 2HG ARG 73 14.946 -9.154 -6.002 455 HG3 ARG 73 1HG ARG 73 16.338 -9.692 -5.040 456 HD2 ARG 73 2HD ARG 73 15.030 -9.129 -3.004 457 HD3 ARG 73 1HD ARG 73 13.674 -8.691 -4.034 458 HE ARG 73 HE ARG 73 14.790 -11.392 -4.101 459 HH11 ARG 73 1HH1 ARG 73 12.026 -9.275 -3.626 460 HH12 ARG 73 2HH1 ARG 73 10.918 -10.503 -3.236 461 HH21 ARG 73 1HH2 ARG 73 13.275 -13.126 -3.519 462 HH22 ARG 73 2HH2 ARG 73 11.652 -12.743 -3.150 463 H GLU 74 H GLU 74 16.513 -4.714 -3.852 464 HA GLU 74 HA GLU 74 19.066 -4.106 -4.945 465 HB2 GLU 74 2HB GLU 74 17.093 -2.305 -3.537 466 HB3 GLU 74 1HB GLU 74 18.555 -1.730 -4.334 467 HG2 GLU 74 2HG GLU 74 16.290 -3.193 -5.663 468 HG3 GLU 74 1HG GLU 74 16.592 -1.458 -5.749 469 H LEU 75 H LEU 75 17.839 -4.178 -1.696 470 HA LEU 75 HA LEU 75 20.143 -3.209 -0.401 471 HB2 LEU 75 2HB LEU 75 17.934 -3.357 0.642 472 HB3 LEU 75 1HB LEU 75 18.009 -5.103 0.573 473 HG LEU 75 HG LEU 75 19.895 -5.072 2.156 474 HD11 LEU 75 1HD1 LEU 75 20.417 -3.007 3.342 475 HD12 LEU 75 2HD1 LEU 75 19.369 -2.109 2.238 476 HD13 LEU 75 3HD1 LEU 75 20.824 -2.904 1.632 477 HD21 LEU 75 3HD2 LEU 75 17.457 -3.572 3.076 478 HD22 LEU 75 1HD2 LEU 75 18.614 -4.415 4.109 479 HD23 LEU 75 2HD2 LEU 75 17.626 -5.327 2.963 480 H LYS 76 H LYS 76 19.555 -6.094 -2.033 481 HA LYS 76 HA LYS 76 21.322 -7.823 -0.580 482 HB2 LYS 76 2HB LYS 76 19.306 -8.628 -1.599 483 HB3 LYS 76 1HB LYS 76 19.752 -7.926 -3.133 484 HG2 LYS 76 2HG LYS 76 21.601 -9.572 -3.257 485 HG3 LYS 76 1HG LYS 76 20.935 -10.330 -1.796 486 HD2 LYS 76 2HD LYS 76 18.837 -10.682 -2.862 487 HD3 LYS 76 1HD LYS 76 19.358 -9.765 -4.268 488 HE2 LYS 76 2HE LYS 76 21.086 -11.484 -4.711 489 HE3 LYS 76 1HE LYS 76 20.486 -12.410 -3.335 490 HZ1 LYS 76 3HZ LYS 76 19.616 -13.199 -5.470 491 HZ2 LYS 76 1HZ LYS 76 18.869 -11.715 -5.732 492 HZ3 LYS 76 2HZ LYS 76 18.390 -12.694 -4.443 493 H ARG 77 H ARG 77 21.599 -5.384 -2.978 494 HA ARG 77 HA ARG 77 23.681 -6.492 -4.573 495 HB2 ARG 77 2HB ARG 77 22.827 -3.637 -4.231 496 HB3 ARG 77 1HB ARG 77 24.031 -4.179 -5.378 497 HG2 ARG 77 2HG ARG 77 22.297 -5.554 -6.474 498 HG3 ARG 77 1HG ARG 77 21.103 -4.865 -5.362 499 HD2 ARG 77 2HD ARG 77 21.698 -2.627 -6.107 500 HD3 ARG 77 1HD ARG 77 22.875 -3.295 -7.225 501 HE ARG 77 HE ARG 77 19.968 -3.746 -7.427 502 HH11 ARG 77 1HH1 ARG 77 23.095 -3.172 -9.000 503 HH12 ARG 77 2HH1 ARG 77 22.413 -2.945 -10.546 504 HH21 ARG 77 1HH2 ARG 77 19.077 -3.414 -9.485 505 HH22 ARG 77 2HH2 ARG 77 20.070 -3.067 -10.833 506 H THR 78 H THR 78 23.721 -4.476 -1.699 507 HA THR 78 HA THR 78 25.319 -4.116 -0.152 508 HB THR 78 HB THR 78 27.225 -5.798 -1.821 509 HG1 THR 78 1HG THR 78 25.673 -7.196 -1.354 510 HG21 THR 78 3HG2 THR 78 28.337 -6.214 0.327 511 HG22 THR 78 1HG2 THR 78 27.174 -5.168 1.140 512 HG23 THR 78 2HG2 THR 78 28.306 -4.484 -0.023 513 H ASP 79 H ASP 79 25.990 -3.257 -3.460 514 HA ASP 79 HA ASP 79 28.302 -1.638 -3.069 515 HB2 ASP 79 2HB ASP 79 27.749 -0.602 -5.253 516 HB3 ASP 79 1HB ASP 79 27.699 -2.357 -5.311 517 H LEU 80 H LEU 80 25.122 -1.175 -2.266 518 HA LEU 80 HA LEU 80 24.499 1.564 -1.998 519 HB2 LEU 80 2HB LEU 80 24.044 -0.872 -0.323 520 HB3 LEU 80 1HB LEU 80 23.311 0.680 -0.047 521 HG LEU 80 HG LEU 80 22.009 0.463 -2.067 522 HD11 LEU 80 1HD1 LEU 80 23.310 -2.251 -2.411 523 HD12 LEU 80 2HD1 LEU 80 23.541 -0.861 -3.475 524 HD13 LEU 80 3HD1 LEU 80 21.959 -1.633 -3.359 525 HD21 LEU 80 3HD2 LEU 80 21.088 -0.398 -0.045 526 HD22 LEU 80 1HD2 LEU 80 21.939 -1.927 -0.266 527 HD23 LEU 80 2HD2 LEU 80 20.653 -1.479 -1.375 528 H ASP 81 H ASP 81 24.319 2.466 -0.268 529 HA ASP 81 HA ASP 81 26.438 2.262 1.732 530 HB2 ASP 81 2HB ASP 81 26.707 4.191 -0.052 531 HB3 ASP 81 1HB ASP 81 25.361 4.930 0.805 532 H LEU 82 H LEU 82 25.492 4.000 3.517 533 HA LEU 82 HA LEU 82 23.117 2.809 4.476 534 HB2 LEU 82 2HB LEU 82 24.369 5.452 5.223 535 HB3 LEU 82 1HB LEU 82 23.086 4.669 6.115 536 HG LEU 82 HG LEU 82 25.894 3.621 5.778 537 HD11 LEU 82 1HD1 LEU 82 24.484 4.821 8.154 538 HD12 LEU 82 2HD1 LEU 82 25.778 5.568 7.216 539 HD13 LEU 82 3HD1 LEU 82 26.098 4.114 8.160 540 HD21 LEU 82 3HD2 LEU 82 24.288 1.787 5.965 541 HD22 LEU 82 1HD2 LEU 82 23.575 2.547 7.391 542 HD23 LEU 82 2HD2 LEU 82 25.227 1.943 7.447 543 H LEU 83 H LEU 83 23.773 5.485 2.489 544 HA LEU 83 HA LEU 83 21.362 6.925 2.583 545 HB2 LEU 83 2HB LEU 83 23.313 6.416 0.384 546 HB3 LEU 83 1HB LEU 83 22.006 7.537 0.190 547 HG LEU 83 HG LEU 83 23.928 8.863 0.638 548 HD11 LEU 83 1HD1 LEU 83 23.411 10.023 2.701 549 HD12 LEU 83 2HD1 LEU 83 22.380 8.682 3.195 550 HD13 LEU 83 3HD1 LEU 83 21.956 9.642 1.776 551 HD21 LEU 83 3HD2 LEU 83 25.383 8.594 2.581 552 HD22 LEU 83 1HD2 LEU 83 25.395 7.146 1.575 553 HD23 LEU 83 2HD2 LEU 83 24.472 7.171 3.077 554 H GLU 84 H GLU 84 22.353 4.403 0.449 555 HA GLU 84 HA GLU 84 19.891 4.377 -0.970 556 HB2 GLU 84 2HB GLU 84 22.093 2.327 -0.819 557 HB3 GLU 84 1HB GLU 84 20.811 2.367 -2.023 558 HG2 GLU 84 2HG GLU 84 22.983 4.405 -1.638 559 HG3 GLU 84 1HG GLU 84 22.857 3.239 -2.953 560 H LYS 85 H LYS 85 21.404 2.445 1.393 561 HA LYS 85 HA LYS 85 19.512 0.448 1.763 562 HB2 LYS 85 2HB LYS 85 21.748 0.256 2.672 563 HB3 LYS 85 1HB LYS 85 21.493 1.659 3.693 564 HG2 LYS 85 2HG LYS 85 19.798 0.407 4.964 565 HG3 LYS 85 1HG LYS 85 20.097 -1.002 3.955 566 HD2 LYS 85 2HD LYS 85 22.133 0.355 5.739 567 HD3 LYS 85 1HD LYS 85 21.276 -1.137 6.114 568 HE2 LYS 85 2HE LYS 85 22.310 -2.172 4.095 569 HE3 LYS 85 1HE LYS 85 23.236 -0.694 3.856 570 HZ1 LYS 85 3HZ LYS 85 23.368 -2.425 6.254 571 HZ2 LYS 85 1HZ LYS 85 24.293 -1.053 6.007 572 HZ3 LYS 85 2HZ LYS 85 24.531 -2.387 5.024 573 H PHE 86 H PHE 86 19.790 3.638 3.310 574 HA PHE 86 HA PHE 86 17.806 3.009 5.072 575 HB2 PHE 86 2HB PHE 86 19.426 4.746 5.609 576 HB3 PHE 86 1HB PHE 86 18.854 5.733 4.275 577 HD1 PHE 86 1HD PHE 86 17.905 4.347 7.574 578 HD2 PHE 86 2HD PHE 86 17.073 7.259 4.577 579 HE1 PHE 86 1HE PHE 86 16.353 5.482 9.108 580 HE2 PHE 86 2HE PHE 86 15.518 8.391 6.108 581 HZ PHE 86 HZ PHE 86 15.156 7.502 8.376 582 H ASN 87 H ASN 87 17.804 4.178 1.899 583 HA ASN 87 HA ASN 87 15.279 5.518 1.878 584 HB2 ASN 87 2HB ASN 87 17.293 5.946 0.350 585 HB3 ASN 87 1HB ASN 87 16.849 4.468 -0.476 586 HD21 ASN 87 1HD2 ASN 87 16.156 7.760 0.018 587 HD22 ASN 87 2HD2 ASN 87 14.906 7.950 -1.152 588 H PHE 88 H PHE 88 16.616 2.380 0.990 589 HA PHE 88 HA PHE 88 14.158 1.468 -0.196 590 HB2 PHE 88 2HB PHE 88 16.430 -0.319 0.682 591 HB3 PHE 88 1HB PHE 88 15.254 -0.628 -0.581 592 HD1 PHE 88 2HD PHE 88 15.473 2.147 -1.902 593 HD2 PHE 88 1HD PHE 88 18.298 -0.716 -0.544 594 HE1 PHE 88 2HE PHE 88 17.138 3.046 -3.460 595 HE2 PHE 88 1HE PHE 88 19.945 0.194 -2.096 596 HZ PHE 88 HZ PHE 88 19.428 2.041 -3.463 597 H GLU 89 H GLU 89 15.912 1.034 2.824 598 HA GLU 89 HA GLU 89 14.172 -0.853 3.946 599 HB2 GLU 89 2HB GLU 89 16.526 -0.320 4.643 600 HB3 GLU 89 1HB GLU 89 15.952 1.213 5.254 601 HG2 GLU 89 2HG GLU 89 16.238 -0.196 7.072 602 HG3 GLU 89 1HG GLU 89 14.496 -0.060 6.820 603 H ALA 90 H ALA 90 14.298 2.658 3.678 604 HA ALA 90 HA ALA 90 12.264 3.055 5.645 605 HB1 ALA 90 1HB ALA 90 12.992 4.926 3.386 606 HB2 ALA 90 2HB ALA 90 13.720 4.930 4.992 607 HB3 ALA 90 3HB ALA 90 12.015 5.342 4.794 608 H ALA 91 H ALA 91 12.274 2.793 2.175 609 HA ALA 91 HA ALA 91 9.503 3.264 1.862 610 HB1 ALA 91 1HB ALA 91 11.395 1.911 -0.037 611 HB2 ALA 91 2HB ALA 91 11.197 3.649 0.110 612 HB3 ALA 91 3HB ALA 91 9.843 2.651 -0.443 613 H LEU 92 H LEU 92 11.362 0.262 2.084 614 HA LEU 92 HA LEU 92 9.077 -1.222 1.473 615 HB2 LEU 92 2HB LEU 92 10.302 -3.248 2.214 616 HB3 LEU 92 1HB LEU 92 11.190 -2.275 1.075 617 HG LEU 92 HG LEU 92 12.409 -1.355 3.162 618 HD11 LEU 92 1HD1 LEU 92 12.598 -2.920 5.018 619 HD12 LEU 92 2HD1 LEU 92 11.357 -3.934 4.281 620 HD13 LEU 92 3HD1 LEU 92 10.947 -2.313 4.850 621 HD21 LEU 92 3HD2 LEU 92 12.848 -4.182 2.235 622 HD22 LEU 92 1HD2 LEU 92 14.035 -3.170 3.055 623 HD23 LEU 92 2HD2 LEU 92 13.458 -2.725 1.448 624 H ALA 93 H ALA 93 10.299 -0.003 4.514 625 HA ALA 93 HA ALA 93 8.401 -1.460 6.046 626 HB1 ALA 93 1HB ALA 93 10.484 -0.609 7.048 627 HB2 ALA 93 2HB ALA 93 9.053 -0.014 7.898 628 HB3 ALA 93 3HB ALA 93 9.916 1.037 6.773 629 H THR 94 H THR 94 8.356 1.527 4.282 630 HA THR 94 HA THR 94 6.132 2.638 5.585 631 HB THR 94 HB THR 94 7.101 3.098 2.751 632 HG1 THR 94 1HG THR 94 8.625 3.569 4.489 633 HG21 THR 94 3HG2 THR 94 5.945 5.279 2.912 634 HG22 THR 94 1HG2 THR 94 5.340 4.831 4.507 635 HG23 THR 94 2HG2 THR 94 4.815 3.934 3.082 636 H GLY 95 H GLY 95 6.713 0.651 2.778 637 HA2 GLY 95 2HA GLY 95 4.140 0.432 1.790 638 HA3 GLY 95 1HA GLY 95 5.440 -0.730 1.538 639 H ASP 96 H ASP 96 5.848 -1.557 4.200 640 HA ASP 96 HA ASP 96 3.795 -3.503 4.362 641 HB2 ASP 96 2HB ASP 96 6.022 -4.072 5.132 642 HB3 ASP 96 1HB ASP 96 5.973 -2.787 6.335 643 H LEU 97 H LEU 97 4.510 -0.584 6.162 644 HA LEU 97 HA LEU 97 2.493 -0.983 8.072 645 HB2 LEU 97 2HB LEU 97 3.812 1.587 7.223 646 HB3 LEU 97 1HB LEU 97 2.756 1.424 8.610 647 HG LEU 97 HG LEU 97 5.453 0.135 8.238 648 HD11 LEU 97 1HD1 LEU 97 4.492 2.225 10.170 649 HD12 LEU 97 2HD1 LEU 97 5.579 2.476 8.804 650 HD13 LEU 97 3HD1 LEU 97 6.090 1.482 10.169 651 HD21 LEU 97 3HD2 LEU 97 3.998 -1.418 9.370 652 HD22 LEU 97 1HD2 LEU 97 3.474 -0.165 10.497 653 HD23 LEU 97 2HD2 LEU 97 5.144 -0.739 10.527 654 H LEU 98 H LEU 98 2.425 0.849 5.032 655 HA LEU 98 HA LEU 98 -0.310 1.491 5.468 656 HB2 LEU 98 2HB LEU 98 -0.359 2.452 3.301 657 HB3 LEU 98 1HB LEU 98 1.211 2.817 3.976 658 HG LEU 98 HG LEU 98 1.780 0.592 2.698 659 HD11 LEU 98 1HD1 LEU 98 -0.364 0.188 1.727 660 HD12 LEU 98 2HD1 LEU 98 0.702 0.711 0.412 661 HD13 LEU 98 3HD1 LEU 98 -0.457 1.833 1.104 662 HD21 LEU 98 3HD2 LEU 98 2.677 2.020 0.856 663 HD22 LEU 98 1HD2 LEU 98 3.013 2.666 2.463 664 HD23 LEU 98 2HD2 LEU 98 1.720 3.361 1.485 665 H LEU 99 H LEU 99 1.335 -1.285 4.183 666 HA LEU 99 HA LEU 99 -0.752 -2.379 2.647 667 HB2 LEU 99 2HB LEU 99 1.722 -3.034 2.622 668 HB3 LEU 99 1HB LEU 99 1.437 -3.874 4.117 669 HG LEU 99 HG LEU 99 0.113 -4.615 1.495 670 HD11 LEU 99 1HD1 LEU 99 1.709 -6.471 1.429 671 HD12 LEU 99 2HD1 LEU 99 2.521 -5.818 2.851 672 HD13 LEU 99 3HD1 LEU 99 2.519 -4.909 1.342 673 HD21 LEU 99 3HD2 LEU 99 0.366 -6.131 4.095 674 HD22 LEU 99 1HD2 LEU 99 -0.356 -6.747 2.607 675 HD23 LEU 99 2HD2 LEU 99 -1.110 -5.402 3.461 676 H LYS 100 H LYS 100 0.356 -2.804 5.937 677 HA LYS 100 HA LYS 100 -1.718 -4.538 6.582 678 HB2 LYS 100 2HB LYS 100 -0.984 -4.252 8.938 679 HB3 LYS 100 1HB LYS 100 0.356 -4.598 7.860 680 HG2 LYS 100 2HG LYS 100 0.835 -2.169 7.797 681 HG3 LYS 100 1HG LYS 100 -0.407 -1.952 9.023 682 HD2 LYS 100 2HD LYS 100 2.074 -3.635 9.310 683 HD3 LYS 100 1HD LYS 100 1.873 -2.023 9.957 684 HE2 LYS 100 2HE LYS 100 0.245 -4.457 10.735 685 HE3 LYS 100 1HE LYS 100 1.483 -3.673 11.711 686 HZ1 LYS 100 3HZ LYS 100 -0.678 -2.995 12.439 687 HZ2 LYS 100 1HZ LYS 100 -1.121 -2.474 10.903 688 HZ3 LYS 100 2HZ LYS 100 0.084 -1.669 11.756 689 H ASP 101 H ASP 101 -1.330 -1.080 6.473 690 HA ASP 101 HA ASP 101 -3.571 -0.479 8.092 691 HB2 ASP 101 2HB ASP 101 -1.732 1.155 7.535 692 HB3 ASP 101 1HB ASP 101 -2.390 1.255 5.906 693 H LEU 102 H LEU 102 -3.100 -1.066 4.663 694 HA LEU 102 HA LEU 102 -5.649 -0.616 3.585 695 HB2 LEU 102 2HB LEU 102 -3.732 -2.874 2.950 696 HB3 LEU 102 1HB LEU 102 -5.128 -2.467 1.990 697 HG LEU 102 HG LEU 102 -2.765 -0.615 2.373 698 HD11 LEU 102 1HD1 LEU 102 -2.132 -2.737 1.239 699 HD12 LEU 102 2HD1 LEU 102 -2.055 -1.344 0.168 700 HD13 LEU 102 3HD1 LEU 102 -3.418 -2.454 0.068 701 HD21 LEU 102 3HD2 LEU 102 -4.877 0.475 1.719 702 HD22 LEU 102 1HD2 LEU 102 -5.013 -0.653 0.366 703 HD23 LEU 102 2HD2 LEU 102 -3.683 0.494 0.411 704 H LYS 103 H LYS 103 -4.277 -3.476 5.097 705 HA LYS 103 HA LYS 103 -6.639 -4.990 4.876 706 HB2 LYS 103 2HB LYS 103 -4.145 -5.500 6.479 707 HB3 LYS 103 1HB LYS 103 -5.486 -6.640 6.366 708 HG2 LYS 103 2HG LYS 103 -5.240 -6.695 3.944 709 HG3 LYS 103 1HG LYS 103 -3.892 -5.570 4.056 710 HD2 LYS 103 2HD LYS 103 -2.604 -7.224 5.296 711 HD3 LYS 103 1HD LYS 103 -3.971 -8.352 5.239 712 HE2 LYS 103 2HE LYS 103 -3.915 -8.325 2.815 713 HE3 LYS 103 1HE LYS 103 -2.590 -7.176 2.839 714 HZ1 LYS 103 3HZ LYS 103 -1.198 -8.920 3.863 715 HZ2 LYS 103 1HZ LYS 103 -1.845 -9.329 2.366 716 HZ3 LYS 103 2HZ LYS 103 -2.505 -10.004 3.755 717 H ALA 104 H ALA 104 -5.538 -2.806 7.307 718 HA ALA 104 HA ALA 104 -7.251 -3.721 9.365 719 HB1 ALA 104 1HB ALA 104 -6.059 -0.979 8.916 720 HB2 ALA 104 2HB ALA 104 -5.303 -2.292 9.814 721 HB3 ALA 104 3HB ALA 104 -6.786 -1.550 10.418 722 H LEU 105 H LEU 105 -7.490 -1.310 6.808 723 HA LEU 105 HA LEU 105 -10.053 -0.495 7.625 724 HB2 LEU 105 2HB LEU 105 -10.113 0.998 5.825 725 HB3 LEU 105 1HB LEU 105 -8.401 0.835 6.115 726 HG LEU 105 HG LEU 105 -8.767 -1.061 4.235 727 HD11 LEU 105 1HD1 LEU 105 -11.084 -0.635 3.904 728 HD12 LEU 105 2HD1 LEU 105 -10.184 -0.187 2.456 729 HD13 LEU 105 3HD1 LEU 105 -10.769 1.066 3.554 730 HD21 LEU 105 3HD2 LEU 105 -7.830 0.537 2.630 731 HD22 LEU 105 1HD2 LEU 105 -7.065 0.716 4.209 732 HD23 LEU 105 2HD2 LEU 105 -8.290 1.873 3.685 733 H GLN 106 H GLN 106 -8.724 -2.842 5.438 734 HA GLN 106 HA GLN 106 -11.044 -3.740 4.150 735 HB2 GLN 106 2HB GLN 106 -8.710 -4.465 3.574 736 HB3 GLN 106 1HB GLN 106 -8.688 -5.375 5.076 737 HG2 GLN 106 2HG GLN 106 -10.630 -6.670 4.255 738 HG3 GLN 106 1HG GLN 106 -10.469 -5.835 2.714 739 HE21 GLN 106 1HE2 GLN 106 -7.769 -6.892 4.687 740 HE22 GLN 106 2HE2 GLN 106 -7.228 -8.129 3.630 741 H LYS 107 H LYS 107 -9.704 -4.638 7.271 742 HA LYS 107 HA LYS 107 -11.742 -6.535 7.761 743 HB2 LYS 107 2HB LYS 107 -10.054 -5.002 9.759 744 HB3 LYS 107 1HB LYS 107 -11.078 -6.376 10.153 745 HG2 LYS 107 2HG LYS 107 -8.677 -6.418 8.332 746 HG3 LYS 107 1HG LYS 107 -8.737 -7.026 9.987 747 HD2 LYS 107 2HD LYS 107 -10.376 -8.693 9.344 748 HD3 LYS 107 1HD LYS 107 -10.424 -8.052 7.702 749 HE2 LYS 107 2HE LYS 107 -8.068 -8.625 7.425 750 HE3 LYS 107 1HE LYS 107 -8.035 -9.290 9.056 751 HZ1 LYS 107 3HZ LYS 107 -9.760 -10.270 6.847 752 HZ2 LYS 107 1HZ LYS 107 -9.657 -10.951 8.382 753 HZ3 LYS 107 2HZ LYS 107 -8.331 -10.998 7.338 754 H ARG 108 H ARG 108 -11.556 -3.086 8.273 755 HA ARG 108 HA ARG 108 -13.940 -2.834 9.799 756 HB2 ARG 108 2HB ARG 108 -12.243 -1.083 9.769 757 HB3 ARG 108 1HB ARG 108 -12.441 -0.895 8.039 758 HG2 ARG 108 2HG ARG 108 -14.704 -0.046 8.390 759 HG3 ARG 108 1HG ARG 108 -14.497 -0.234 10.136 760 HD2 ARG 108 2HD ARG 108 -12.659 1.313 10.128 761 HD3 ARG 108 1HD ARG 108 -12.730 1.447 8.373 762 HE ARG 108 HE ARG 108 -15.209 2.188 9.289 763 HH11 ARG 108 1HH1 ARG 108 -11.904 3.341 9.979 764 HH12 ARG 108 2HH1 ARG 108 -12.373 4.984 9.999 765 HH21 ARG 108 1HH2 ARG 108 -15.793 4.433 9.389 766 HH22 ARG 108 2HH2 ARG 108 -14.577 5.611 9.632 767 H VAL 109 H VAL 109 -13.177 -2.553 6.379 768 HA VAL 109 HA VAL 109 -15.797 -2.013 5.677 769 HB VAL 109 HB VAL 109 -13.564 -3.051 3.893 770 HG11 VAL 109 1HG1 VAL 109 -15.736 -3.490 2.879 771 HG12 VAL 109 2HG1 VAL 109 -14.943 -2.149 2.042 772 HG13 VAL 109 3HG1 VAL 109 -16.228 -1.832 3.199 773 HG21 VAL 109 3HG2 VAL 109 -14.639 -0.274 4.349 774 HG22 VAL 109 1HG2 VAL 109 -13.364 -0.722 3.215 775 HG23 VAL 109 2HG2 VAL 109 -13.107 -0.902 4.953 776 H GLN 110 H GLN 110 -13.978 -5.004 5.881 777 HA GLN 110 HA GLN 110 -15.888 -6.782 4.899 778 HB2 GLN 110 2HB GLN 110 -13.694 -7.078 6.910 779 HB3 GLN 110 1HB GLN 110 -14.803 -8.403 6.611 780 HG2 GLN 110 2HG GLN 110 -13.110 -7.058 4.523 781 HG3 GLN 110 1HG GLN 110 -12.707 -8.570 5.337 782 HE21 GLN 110 1HE2 GLN 110 -15.484 -9.517 5.348 783 HE22 GLN 110 2HE2 GLN 110 -15.806 -9.987 3.737 784 H ASP 111 H ASP 111 -15.464 -5.313 8.055 785 HA ASP 111 HA ASP 111 -17.514 -6.882 9.100 786 HB2 ASP 111 2HB ASP 111 -16.159 -4.478 10.287 787 HB3 ASP 111 1HB ASP 111 -17.452 -5.335 11.116 788 H SER 112 H SER 112 -17.457 -4.003 7.318 789 HA SER 112 HA SER 112 -19.981 -3.106 8.171 790 HB2 SER 112 2HB SER 112 -18.264 -1.603 7.182 791 HB3 SER 112 1HB SER 112 -18.429 -2.457 5.651 792 HG SER 112 HG SER 112 -20.686 -1.337 6.888 793 H GLU 113 H GLU 113 -18.775 -5.484 5.949 794 HA GLU 113 HA GLU 113 -21.437 -5.885 4.813 795 HB2 GLU 113 2HB GLU 113 -18.733 -6.916 3.932 796 HB3 GLU 113 1HB GLU 113 -20.261 -7.308 3.160 797 HG2 GLU 113 2HG GLU 113 -19.082 -4.563 3.379 798 HG3 GLU 113 1HG GLU 113 -18.968 -5.595 1.956 Start of MODEL 7 1 H1 ASN 18 1HT ASN 18 13.706 10.994 3.511 2 H2 ASN 18 2HT ASN 18 14.046 11.380 1.907 3 H3 ASN 18 3HT ASN 18 13.968 9.780 2.398 4 HA ASN 18 HA ASN 18 11.641 9.951 2.894 5 HB2 ASN 18 2HB ASN 18 11.901 12.799 1.878 6 HB3 ASN 18 1HB ASN 18 10.389 11.987 2.241 7 HD21 ASN 18 1HD2 ASN 18 11.601 14.389 3.330 8 HD22 ASN 18 2HD2 ASN 18 11.692 14.157 5.038 9 H THR 19 H THR 19 13.757 9.781 0.437 10 HA THR 19 HA THR 19 12.281 10.202 -1.872 11 HB THR 19 HB THR 19 14.424 8.119 -1.381 12 HG1 THR 19 1HG THR 19 15.418 10.346 -2.416 13 HG21 THR 19 3HG2 THR 19 14.980 8.520 -3.736 14 HG22 THR 19 1HG2 THR 19 13.673 9.701 -3.851 15 HG23 THR 19 2HG2 THR 19 13.303 7.999 -3.574 16 H ALA 20 H ALA 20 12.543 7.477 0.307 17 HA ALA 20 HA ALA 20 11.069 5.550 -1.142 18 HB1 ALA 20 1HB ALA 20 12.465 4.924 0.712 19 HB2 ALA 20 2HB ALA 20 10.787 4.503 1.089 20 HB3 ALA 20 3HB ALA 20 11.519 5.934 1.801 21 H THR 21 H THR 21 10.168 7.857 1.414 22 HA THR 21 HA THR 21 7.528 7.197 1.775 23 HB THR 21 HB THR 21 8.338 9.979 1.885 24 HG1 THR 21 1HG THR 21 9.588 8.046 3.597 25 HG21 THR 21 3HG2 THR 21 7.366 8.000 3.961 26 HG22 THR 21 1HG2 THR 21 6.358 9.126 3.053 27 HG23 THR 21 2HG2 THR 21 7.536 9.733 4.225 28 H GLN 22 H GLN 22 9.133 9.498 -0.357 29 HA GLN 22 HA GLN 22 6.915 10.763 -1.484 30 HB2 GLN 22 2HB GLN 22 9.205 11.615 -1.668 31 HB3 GLN 22 1HB GLN 22 9.654 10.238 -2.658 32 HG2 GLN 22 2HG GLN 22 9.341 12.258 -3.984 33 HG3 GLN 22 1HG GLN 22 8.199 10.993 -4.428 34 HE21 GLN 22 1HE2 GLN 22 7.853 13.006 -1.570 35 HE22 GLN 22 2HE2 GLN 22 6.445 13.832 -2.119 36 H ARG 23 H ARG 23 8.522 7.785 -2.339 37 HA ARG 23 HA ARG 23 7.023 7.364 -4.734 38 HB2 ARG 23 2HB ARG 23 9.263 6.406 -4.449 39 HB3 ARG 23 1HB ARG 23 8.697 5.463 -3.083 40 HG2 ARG 23 2HG ARG 23 7.254 4.163 -4.533 41 HG3 ARG 23 1HG ARG 23 7.723 5.156 -5.917 42 HD2 ARG 23 2HD ARG 23 10.049 4.419 -5.640 43 HD3 ARG 23 1HD ARG 23 9.554 3.456 -4.254 44 HE ARG 23 HE ARG 23 8.238 2.095 -5.756 45 HH11 ARG 23 1HH1 ARG 23 10.607 4.199 -7.371 46 HH12 ARG 23 2HH1 ARG 23 10.859 3.131 -8.670 47 HH21 ARG 23 1HH2 ARG 23 8.634 0.618 -7.570 48 HH22 ARG 23 2HH2 ARG 23 9.703 1.085 -8.793 49 H PHE 24 H PHE 24 6.761 6.365 -1.350 50 HA PHE 24 HA PHE 24 4.581 4.576 -2.017 51 HB2 PHE 24 2HB PHE 24 6.106 5.096 0.513 52 HB3 PHE 24 1HB PHE 24 4.554 4.264 0.579 53 HD1 PHE 24 2HD PHE 24 6.921 3.911 -2.217 54 HD2 PHE 24 1HD PHE 24 5.436 2.122 1.367 55 HE1 PHE 24 2HE PHE 24 7.980 1.804 -2.823 56 HE2 PHE 24 1HE PHE 24 6.484 0.024 0.737 57 HZ PHE 24 HZ PHE 24 7.762 -0.158 -1.338 58 H HIS 25 H HIS 25 4.838 7.734 -1.490 59 HA HIS 25 HA HIS 25 2.521 8.290 0.002 60 HB2 HIS 25 2HB HIS 25 4.273 9.955 -0.301 61 HB3 HIS 25 1HB HIS 25 3.978 9.992 -2.033 62 HD1 HIS 25 1HD HIS 25 2.872 12.132 -2.569 63 HD2 HIS 25 2HD HIS 25 1.502 10.559 1.003 64 HE1 HIS 25 1HE HIS 25 1.114 13.724 -1.768 65 HE2 HIS 25 2HE HIS 25 0.587 12.915 0.543 66 H GLU 26 H GLU 26 3.021 7.474 -3.351 67 HA GLU 26 HA GLU 26 0.431 8.316 -4.195 68 HB2 GLU 26 2HB GLU 26 2.321 6.322 -5.470 69 HB3 GLU 26 1HB GLU 26 0.860 6.959 -6.219 70 HG2 GLU 26 2HG GLU 26 3.308 8.515 -5.434 71 HG3 GLU 26 1HG GLU 26 2.778 8.127 -7.072 72 H ILE 27 H ILE 27 1.737 5.504 -2.739 73 HA ILE 27 HA ILE 27 -0.608 3.936 -3.216 74 HB ILE 27 HB ILE 27 1.848 3.384 -1.487 75 HG12 ILE 27 2HG1 ILE 27 2.307 1.593 -3.145 76 HG13 ILE 27 1HG1 ILE 27 0.869 2.052 -4.038 77 HG21 ILE 27 1HG2 ILE 27 -0.523 1.582 -1.987 78 HG22 ILE 27 2HG2 ILE 27 -0.083 2.314 -0.446 79 HG23 ILE 27 3HG2 ILE 27 0.966 1.101 -1.180 80 HD11 ILE 27 3HD1 ILE 27 3.348 3.741 -3.676 81 HD12 ILE 27 1HD1 ILE 27 1.881 4.209 -4.532 82 HD13 ILE 27 2HD1 ILE 27 2.866 2.877 -5.147 83 H GLU 28 H GLU 28 0.726 5.857 -0.643 84 HA GLU 28 HA GLU 28 -1.231 5.539 1.346 85 HB2 GLU 28 2HB GLU 28 0.832 6.816 1.673 86 HB3 GLU 28 1HB GLU 28 0.355 7.961 0.442 87 HG2 GLU 28 2HG GLU 28 0.111 8.935 2.634 88 HG3 GLU 28 1HG GLU 28 -1.462 8.747 1.874 89 H LYS 29 H LYS 29 -1.062 7.531 -1.507 90 HA LYS 29 HA LYS 29 -3.449 8.955 -1.381 91 HB2 LYS 29 2HB LYS 29 -1.653 9.490 -2.887 92 HB3 LYS 29 1HB LYS 29 -1.819 7.955 -3.714 93 HG2 LYS 29 2HG LYS 29 -4.002 8.662 -4.566 94 HG3 LYS 29 1HG LYS 29 -3.793 10.176 -3.672 95 HD2 LYS 29 2HD LYS 29 -1.930 9.224 -5.846 96 HD3 LYS 29 1HD LYS 29 -3.238 10.379 -6.094 97 HE2 LYS 29 2HE LYS 29 -2.201 11.907 -4.479 98 HE3 LYS 29 1HE LYS 29 -0.906 10.753 -4.202 99 HZ1 LYS 29 3HZ LYS 29 -0.164 11.005 -6.433 100 HZ2 LYS 29 1HZ LYS 29 -0.284 12.529 -5.732 101 HZ3 LYS 29 2HZ LYS 29 -1.460 12.015 -6.832 102 H PHE 30 H PHE 30 -2.739 5.752 -2.714 103 HA PHE 30 HA PHE 30 -5.285 5.127 -3.673 104 HB2 PHE 30 2HB PHE 30 -3.024 3.486 -2.699 105 HB3 PHE 30 1HB PHE 30 -4.587 2.718 -2.949 106 HD1 PHE 30 2HD PHE 30 -1.849 4.552 -4.655 107 HD2 PHE 30 1HD PHE 30 -5.357 2.206 -5.116 108 HE1 PHE 30 2HE PHE 30 -1.351 4.294 -7.044 109 HE2 PHE 30 1HE PHE 30 -4.875 1.942 -7.503 110 HZ PHE 30 HZ PHE 30 -2.868 2.985 -8.481 111 H LEU 31 H LEU 31 -3.921 4.667 -0.424 112 HA LEU 31 HA LEU 31 -6.131 3.326 0.676 113 HB2 LEU 31 2HB LEU 31 -3.982 4.989 1.940 114 HB3 LEU 31 1HB LEU 31 -5.335 4.440 2.904 115 HG LEU 31 HG LEU 31 -4.746 2.111 2.306 116 HD11 LEU 31 1HD1 LEU 31 -2.243 3.318 1.172 117 HD12 LEU 31 2HD1 LEU 31 -3.512 2.490 0.271 118 HD13 LEU 31 3HD1 LEU 31 -2.541 1.599 1.443 119 HD21 LEU 31 3HD2 LEU 31 -2.824 1.955 3.813 120 HD22 LEU 31 1HD2 LEU 31 -4.081 3.027 4.425 121 HD23 LEU 31 2HD2 LEU 31 -2.615 3.702 3.705 122 H LEU 32 H LEU 32 -5.474 6.711 0.382 123 HA LEU 32 HA LEU 32 -7.679 7.691 1.808 124 HB2 LEU 32 2HB LEU 32 -6.620 8.988 -0.699 125 HB3 LEU 32 1HB LEU 32 -7.366 9.772 0.674 126 HG LEU 32 HG LEU 32 -4.687 8.459 0.633 127 HD11 LEU 32 1HD1 LEU 32 -3.804 10.751 0.783 128 HD12 LEU 32 2HD1 LEU 32 -5.447 11.382 0.692 129 HD13 LEU 32 3HD1 LEU 32 -4.758 10.522 -0.683 130 HD21 LEU 32 3HD2 LEU 32 -6.023 10.075 2.812 131 HD22 LEU 32 1HD2 LEU 32 -4.356 9.500 2.845 132 HD23 LEU 32 2HD2 LEU 32 -5.689 8.345 2.854 133 H HIS 33 H HIS 33 -7.132 7.006 -1.523 134 HA HIS 33 HA HIS 33 -9.633 7.576 -2.603 135 HB2 HIS 33 2HB HIS 33 -8.067 7.423 -4.270 136 HB3 HIS 33 1HB HIS 33 -7.225 6.100 -3.496 137 HD1 HIS 33 1HD HIS 33 -10.567 6.517 -5.371 138 HD2 HIS 33 2HD HIS 33 -7.450 3.814 -4.869 139 HE1 HIS 33 1HE HIS 33 -11.053 4.623 -6.913 140 HE2 HIS 33 2HE HIS 33 -9.395 2.872 -6.265 141 H ILE 34 H ILE 34 -8.431 4.461 -1.376 142 HA ILE 34 HA ILE 34 -10.657 2.968 -2.105 143 HB ILE 34 HB ILE 34 -8.591 2.563 0.086 144 HG12 ILE 34 2HG1 ILE 34 -8.790 1.155 -2.568 145 HG13 ILE 34 1HG1 ILE 34 -7.911 2.665 -2.378 146 HG21 ILE 34 1HG2 ILE 34 -10.613 1.261 0.593 147 HG22 ILE 34 2HG2 ILE 34 -9.278 0.211 0.121 148 HG23 ILE 34 3HG2 ILE 34 -10.570 0.564 -1.028 149 HD11 ILE 34 3HD1 ILE 34 -6.399 1.651 -0.835 150 HD12 ILE 34 1HD1 ILE 34 -6.474 0.666 -2.288 151 HD13 ILE 34 2HD1 ILE 34 -7.325 0.159 -0.817 152 H THR 35 H THR 35 -9.845 4.683 0.894 153 HA THR 35 HA THR 35 -12.144 3.898 2.320 154 HB THR 35 HB THR 35 -10.701 6.498 2.610 155 HG1 THR 35 1HG THR 35 -9.076 4.923 2.746 156 HG21 THR 35 3HG2 THR 35 -11.302 6.288 4.978 157 HG22 THR 35 1HG2 THR 35 -12.111 4.757 4.631 158 HG23 THR 35 2HG2 THR 35 -12.725 6.258 3.937 159 H HIS 36 H HIS 36 -11.481 6.715 0.240 160 HA HIS 36 HA HIS 36 -13.943 8.052 0.648 161 HB2 HIS 36 2HB HIS 36 -12.132 8.101 -1.776 162 HB3 HIS 36 1HB HIS 36 -13.512 9.168 -1.552 163 HD1 HIS 36 1HD HIS 36 -10.350 9.915 -1.801 164 HD2 HIS 36 2HD HIS 36 -12.719 9.980 1.611 165 HE1 HIS 36 1HE HIS 36 -9.264 11.542 -0.261 166 HE2 HIS 36 2HE HIS 36 -10.940 11.834 1.560 167 H GLU 37 H GLU 37 -12.937 5.602 -1.635 168 HA GLU 37 HA GLU 37 -15.406 5.566 -2.915 169 HB2 GLU 37 2HB GLU 37 -12.922 4.133 -3.222 170 HB3 GLU 37 1HB GLU 37 -14.332 3.115 -3.507 171 HG2 GLU 37 2HG GLU 37 -13.706 4.076 -5.570 172 HG3 GLU 37 1HG GLU 37 -15.218 4.791 -4.994 173 H VAL 38 H VAL 38 -14.288 3.973 -0.139 174 HA VAL 38 HA VAL 38 -16.290 1.982 -0.004 175 HB VAL 38 HB VAL 38 -14.975 3.364 2.388 176 HG11 VAL 38 1HG1 VAL 38 -17.065 2.119 2.945 177 HG12 VAL 38 2HG1 VAL 38 -15.656 1.278 3.614 178 HG13 VAL 38 3HG1 VAL 38 -16.418 0.697 2.136 179 HG21 VAL 38 3HG2 VAL 38 -13.519 1.406 2.504 180 HG22 VAL 38 1HG2 VAL 38 -13.315 2.252 0.968 181 HG23 VAL 38 2HG2 VAL 38 -14.257 0.758 1.046 182 H ASP 39 H ASP 39 -16.103 5.311 1.031 183 HA ASP 39 HA ASP 39 -18.628 5.494 2.154 184 HB2 ASP 39 2HB ASP 39 -17.225 7.314 2.614 185 HB3 ASP 39 1HB ASP 39 -16.824 7.540 0.915 186 H ASP 40 H ASP 40 -17.439 6.011 -1.084 187 HA ASP 40 HA ASP 40 -19.766 7.033 -2.226 188 HB2 ASP 40 2HB ASP 40 -17.528 7.269 -3.254 189 HB3 ASP 40 1HB ASP 40 -17.520 5.539 -3.578 190 H LEU 41 H LEU 41 -18.471 3.774 -1.923 191 HA LEU 41 HA LEU 41 -20.385 2.614 -3.612 192 HB2 LEU 41 2HB LEU 41 -19.662 0.445 -2.752 193 HB3 LEU 41 1HB LEU 41 -18.336 1.436 -3.305 194 HG LEU 41 HG LEU 41 -17.982 1.948 -0.821 195 HD11 LEU 41 1HD1 LEU 41 -20.024 1.054 0.110 196 HD12 LEU 41 2HD1 LEU 41 -18.657 0.161 0.747 197 HD13 LEU 41 3HD1 LEU 41 -19.657 -0.545 -0.519 198 HD21 LEU 41 3HD2 LEU 41 -16.412 0.704 -2.087 199 HD22 LEU 41 1HD2 LEU 41 -17.441 -0.727 -2.046 200 HD23 LEU 41 2HD2 LEU 41 -16.670 -0.156 -0.566 201 H GLU 42 H GLU 42 -20.264 3.295 -0.239 202 HA GLU 42 HA GLU 42 -22.425 1.753 0.511 203 HB2 GLU 42 2HB GLU 42 -20.705 2.819 1.986 204 HB3 GLU 42 1HB GLU 42 -21.471 4.362 1.710 205 HG2 GLU 42 2HG GLU 42 -23.008 2.095 2.887 206 HG3 GLU 42 1HG GLU 42 -21.903 3.047 3.874 207 H LYS 43 H LYS 43 -22.158 4.909 -0.969 208 HA LYS 43 HA LYS 43 -25.024 5.434 -0.684 209 HB2 LYS 43 2HB LYS 43 -22.952 7.049 -2.175 210 HB3 LYS 43 1HB LYS 43 -24.550 7.583 -1.671 211 HG2 LYS 43 2HG LYS 43 -22.252 6.879 0.144 212 HG3 LYS 43 1HG LYS 43 -22.859 8.497 -0.195 213 HD2 LYS 43 2HD LYS 43 -24.670 6.402 0.897 214 HD3 LYS 43 1HD LYS 43 -23.565 7.221 1.988 215 HE2 LYS 43 2HE LYS 43 -25.751 8.324 2.036 216 HE3 LYS 43 1HE LYS 43 -24.546 9.399 1.349 217 HZ1 LYS 43 3HZ LYS 43 -26.600 7.864 -0.182 218 HZ2 LYS 43 1HZ LYS 43 -25.446 8.888 -0.871 219 HZ3 LYS 43 2HZ LYS 43 -26.604 9.502 0.148 220 H THR 44 H THR 44 -22.718 4.611 -3.048 221 HA THR 44 HA THR 44 -24.325 4.650 -5.313 222 HB THR 44 HB THR 44 -21.703 3.506 -4.489 223 HG1 THR 44 1HG THR 44 -20.864 5.255 -5.423 224 HG21 THR 44 3HG2 THR 44 -22.426 2.042 -6.220 225 HG22 THR 44 1HG2 THR 44 -21.114 3.092 -6.765 226 HG23 THR 44 2HG2 THR 44 -22.789 3.433 -7.290 227 H GLY 45 H GLY 45 -24.363 2.444 -2.675 228 HA2 GLY 45 2HA GLY 45 -26.427 1.003 -2.883 229 HA3 GLY 45 1HA GLY 45 -25.765 0.493 -4.424 230 H ASN 46 H ASN 46 -23.080 0.122 -3.596 231 HA ASN 46 HA ASN 46 -21.627 -1.271 -2.570 232 HB2 ASN 46 2HB ASN 46 -22.483 -0.438 -0.425 233 HB3 ASN 46 1HB ASN 46 -23.851 -1.526 -0.496 234 HD21 ASN 46 1HD2 ASN 46 -23.599 -3.567 0.297 235 HD22 ASN 46 2HD2 ASN 46 -22.149 -4.154 1.028 236 H LYS 47 H LYS 47 -23.666 -2.068 -4.496 237 HA LYS 47 HA LYS 47 -24.592 -4.659 -3.823 238 HB2 LYS 47 2HB LYS 47 -25.540 -4.789 -6.055 239 HB3 LYS 47 1HB LYS 47 -25.828 -3.202 -5.368 240 HG2 LYS 47 2HG LYS 47 -23.701 -2.534 -6.708 241 HG3 LYS 47 1HG LYS 47 -24.037 -4.002 -7.621 242 HD2 LYS 47 2HD LYS 47 -25.139 -2.317 -8.816 243 HD3 LYS 47 1HD LYS 47 -26.408 -3.076 -7.857 244 HE2 LYS 47 2HE LYS 47 -26.642 -0.670 -7.750 245 HE3 LYS 47 1HE LYS 47 -26.170 -1.280 -6.164 246 HZ1 LYS 47 3HZ LYS 47 -24.377 -0.019 -8.159 247 HZ2 LYS 47 1HZ LYS 47 -23.861 -0.543 -6.636 248 HZ3 LYS 47 2HZ LYS 47 -24.952 0.722 -6.787 249 H ASP 48 H ASP 48 -22.008 -3.652 -6.014 250 HA ASP 48 HA ASP 48 -20.773 -6.308 -5.637 251 HB2 ASP 48 2HB ASP 48 -21.640 -6.204 -7.903 252 HB3 ASP 48 1HB ASP 48 -20.924 -4.618 -8.141 253 H GLU 49 H GLU 49 -20.608 -3.003 -5.501 254 HA GLU 49 HA GLU 49 -18.007 -2.255 -6.153 255 HB2 GLU 49 2HB GLU 49 -19.852 -0.988 -4.140 256 HB3 GLU 49 1HB GLU 49 -18.469 -0.219 -4.894 257 HG2 GLU 49 2HG GLU 49 -20.365 0.691 -5.951 258 HG3 GLU 49 1HG GLU 49 -19.745 -0.496 -7.087 259 H LYS 50 H LYS 50 -19.295 -3.493 -3.160 260 HA LYS 50 HA LYS 50 -17.141 -2.592 -1.562 261 HB2 LYS 50 2HB LYS 50 -19.440 -3.498 -0.817 262 HB3 LYS 50 1HB LYS 50 -18.724 -5.085 -1.008 263 HG2 LYS 50 2HG LYS 50 -18.632 -4.434 1.325 264 HG3 LYS 50 1HG LYS 50 -16.993 -4.454 0.679 265 HD2 LYS 50 2HD LYS 50 -16.735 -2.262 0.873 266 HD3 LYS 50 1HD LYS 50 -18.377 -1.932 0.324 267 HE2 LYS 50 2HE LYS 50 -17.571 -2.842 3.073 268 HE3 LYS 50 1HE LYS 50 -18.046 -1.207 2.623 269 HZ1 LYS 50 3HZ LYS 50 -19.885 -2.364 3.626 270 HZ2 LYS 50 1HZ LYS 50 -19.772 -3.620 2.517 271 HZ3 LYS 50 2HZ LYS 50 -20.235 -2.099 2.002 272 H ALA 51 H ALA 51 -17.851 -5.629 -2.958 273 HA ALA 51 HA ALA 51 -15.411 -6.899 -2.185 274 HB1 ALA 51 1HB ALA 51 -17.436 -8.189 -2.706 275 HB2 ALA 51 2HB ALA 51 -16.069 -8.707 -3.695 276 HB3 ALA 51 3HB ALA 51 -17.320 -7.674 -4.388 277 H ARG 52 H ARG 52 -16.497 -5.156 -4.973 278 HA ARG 52 HA ARG 52 -14.355 -5.733 -6.691 279 HB2 ARG 52 2HB ARG 52 -16.660 -4.717 -7.214 280 HB3 ARG 52 1HB ARG 52 -15.980 -3.197 -6.673 281 HG2 ARG 52 2HG ARG 52 -15.936 -3.346 -9.081 282 HG3 ARG 52 1HG ARG 52 -14.292 -3.330 -8.441 283 HD2 ARG 52 2HD ARG 52 -14.624 -4.999 -10.246 284 HD3 ARG 52 1HD ARG 52 -14.104 -5.721 -8.724 285 HE ARG 52 HE ARG 52 -16.934 -5.742 -8.876 286 HH11 ARG 52 1HH1 ARG 52 -14.158 -7.349 -10.348 287 HH12 ARG 52 2HH1 ARG 52 -14.989 -8.783 -10.690 288 HH21 ARG 52 1HH2 ARG 52 -18.076 -7.686 -9.263 289 HH22 ARG 52 2HH2 ARG 52 -17.320 -8.989 -10.064 290 H LEU 53 H LEU 53 -14.941 -2.934 -4.435 291 HA LEU 53 HA LEU 53 -12.541 -1.707 -5.129 292 HB2 LEU 53 2HB LEU 53 -14.342 -0.460 -4.243 293 HB3 LEU 53 1HB LEU 53 -14.421 -1.471 -2.809 294 HG LEU 53 HG LEU 53 -12.206 -0.820 -2.314 295 HD11 LEU 53 1HD1 LEU 53 -11.441 0.091 -4.454 296 HD12 LEU 53 2HD1 LEU 53 -11.339 1.376 -3.255 297 HD13 LEU 53 3HD1 LEU 53 -12.680 1.347 -4.400 298 HD21 LEU 53 3HD2 LEU 53 -12.843 1.379 -1.320 299 HD22 LEU 53 1HD2 LEU 53 -14.016 0.086 -1.085 300 HD23 LEU 53 2HD2 LEU 53 -14.302 1.323 -2.309 301 H LEU 54 H LEU 54 -13.477 -4.018 -2.654 302 HA LEU 54 HA LEU 54 -11.097 -3.925 -1.190 303 HB2 LEU 54 2HB LEU 54 -13.058 -6.187 -1.523 304 HB3 LEU 54 1HB LEU 54 -11.739 -6.199 -0.366 305 HG LEU 54 HG LEU 54 -14.027 -4.244 -0.413 306 HD11 LEU 54 1HD1 LEU 54 -14.744 -6.422 0.310 307 HD12 LEU 54 2HD1 LEU 54 -14.716 -5.293 1.664 308 HD13 LEU 54 3HD1 LEU 54 -13.428 -6.491 1.484 309 HD21 LEU 54 3HD2 LEU 54 -11.653 -4.469 1.432 310 HD22 LEU 54 1HD2 LEU 54 -13.090 -3.508 1.774 311 HD23 LEU 54 2HD2 LEU 54 -12.089 -3.110 0.399 312 H ARG 55 H ARG 55 -11.910 -5.548 -4.120 313 HA ARG 55 HA ARG 55 -9.555 -7.164 -4.124 314 HB2 ARG 55 2HB ARG 55 -11.489 -7.821 -5.468 315 HB3 ARG 55 1HB ARG 55 -11.370 -6.339 -6.402 316 HG2 ARG 55 2HG ARG 55 -9.348 -7.041 -7.426 317 HG3 ARG 55 1HG ARG 55 -9.182 -8.397 -6.309 318 HD2 ARG 55 2HD ARG 55 -11.423 -8.062 -8.290 319 HD3 ARG 55 1HD ARG 55 -9.998 -9.071 -8.546 320 HE ARG 55 HE ARG 55 -11.444 -9.640 -6.125 321 HH11 ARG 55 1HH1 ARG 55 -11.175 -10.454 -9.559 322 HH12 ARG 55 2HH1 ARG 55 -11.903 -11.987 -9.379 323 HH21 ARG 55 1HH2 ARG 55 -12.401 -11.719 -5.892 324 HH22 ARG 55 2HH2 ARG 55 -12.596 -12.723 -7.267 325 H GLU 56 H GLU 56 -10.398 -3.980 -5.338 326 HA GLU 56 HA GLU 56 -7.985 -3.499 -6.645 327 HB2 GLU 56 2HB GLU 56 -9.824 -2.050 -7.100 328 HB3 GLU 56 1HB GLU 56 -9.985 -1.613 -5.405 329 HG2 GLU 56 2HG GLU 56 -8.053 -0.327 -5.439 330 HG3 GLU 56 1HG GLU 56 -7.528 -0.981 -6.995 331 H LEU 57 H LEU 57 -8.803 -3.182 -3.206 332 HA LEU 57 HA LEU 57 -6.311 -1.917 -2.698 333 HB2 LEU 57 2HB LEU 57 -6.737 -2.073 -0.320 334 HB3 LEU 57 1HB LEU 57 -8.178 -1.566 -1.152 335 HG LEU 57 HG LEU 57 -9.032 -3.946 -0.849 336 HD11 LEU 57 1HD1 LEU 57 -8.082 -5.230 1.005 337 HD12 LEU 57 2HD1 LEU 57 -6.782 -4.056 1.166 338 HD13 LEU 57 3HD1 LEU 57 -6.905 -5.042 -0.295 339 HD21 LEU 57 3HD2 LEU 57 -9.834 -2.041 0.406 340 HD22 LEU 57 1HD2 LEU 57 -8.502 -2.209 1.548 341 HD23 LEU 57 2HD2 LEU 57 -9.732 -3.465 1.441 342 H THR 58 H THR 58 -7.389 -5.139 -2.841 343 HA THR 58 HA THR 58 -5.161 -6.383 -1.774 344 HB THR 58 HB THR 58 -7.060 -7.402 -3.915 345 HG1 THR 58 1HG THR 58 -8.258 -6.858 -2.085 346 HG21 THR 58 3HG2 THR 58 -5.317 -8.922 -1.950 347 HG22 THR 58 1HG2 THR 58 -5.037 -8.807 -3.687 348 HG23 THR 58 2HG2 THR 58 -6.466 -9.642 -3.079 349 H VAL 59 H VAL 59 -5.914 -5.191 -4.987 350 HA VAL 59 HA VAL 59 -3.561 -6.099 -6.303 351 HB VAL 59 HB VAL 59 -5.276 -3.680 -7.009 352 HG11 VAL 59 1HG1 VAL 59 -3.138 -3.671 -8.141 353 HG12 VAL 59 2HG1 VAL 59 -4.442 -3.994 -9.283 354 HG13 VAL 59 3HG1 VAL 59 -3.413 -5.314 -8.721 355 HG21 VAL 59 3HG2 VAL 59 -6.653 -5.677 -6.904 356 HG22 VAL 59 1HG2 VAL 59 -5.516 -6.531 -7.945 357 HG23 VAL 59 2HG2 VAL 59 -6.436 -5.166 -8.580 358 H SER 60 H SER 60 -4.449 -3.089 -4.670 359 HA SER 60 HA SER 60 -2.046 -1.674 -5.090 360 HB2 SER 60 2HB SER 60 -3.958 -1.429 -2.745 361 HB3 SER 60 1HB SER 60 -2.829 -0.193 -3.307 362 HG SER 60 HG SER 60 -5.163 -1.158 -4.630 363 H GLU 61 H GLU 61 -3.003 -3.933 -2.986 364 HA GLU 61 HA GLU 61 -1.028 -3.841 -0.900 365 HB2 GLU 61 2HB GLU 61 -3.318 -5.000 -0.900 366 HB3 GLU 61 1HB GLU 61 -2.560 -6.268 -1.838 367 HG2 GLU 61 2HG GLU 61 -0.952 -6.534 0.069 368 HG3 GLU 61 1HG GLU 61 -2.031 -5.428 0.948 369 H ALA 62 H ALA 62 -1.447 -5.506 -3.942 370 HA ALA 62 HA ALA 62 0.916 -7.065 -3.806 371 HB1 ALA 62 1HB ALA 62 -1.033 -7.714 -5.164 372 HB2 ALA 62 2HB ALA 62 0.460 -7.671 -6.097 373 HB3 ALA 62 3HB ALA 62 -0.709 -6.356 -6.242 374 H PHE 63 H PHE 63 0.243 -3.808 -5.010 375 HA PHE 63 HA PHE 63 2.719 -3.506 -6.398 376 HB2 PHE 63 2HB PHE 63 1.619 -1.183 -4.797 377 HB3 PHE 63 1HB PHE 63 2.515 -1.133 -6.304 378 HD1 PHE 63 1HD PHE 63 0.844 -3.221 -7.766 379 HD2 PHE 63 2HD PHE 63 -0.141 0.149 -5.380 380 HE1 PHE 63 1HE PHE 63 -1.329 -3.083 -8.861 381 HE2 PHE 63 2HE PHE 63 -2.322 0.287 -6.467 382 HZ PHE 63 HZ PHE 63 -2.941 -1.370 -8.133 383 H ILE 64 H ILE 64 1.791 -3.017 -3.050 384 HA ILE 64 HA ILE 64 4.315 -2.255 -2.096 385 HB ILE 64 HB ILE 64 2.086 -3.723 -0.669 386 HG12 ILE 64 2HG1 ILE 64 1.568 -1.428 -1.350 387 HG13 ILE 64 1HG1 ILE 64 1.681 -1.571 0.400 388 HG21 ILE 64 1HG2 ILE 64 4.154 -4.292 0.471 389 HG22 ILE 64 2HG2 ILE 64 3.219 -3.166 1.460 390 HG23 ILE 64 3HG2 ILE 64 4.608 -2.590 0.544 391 HD11 ILE 64 3HD1 ILE 64 3.791 -0.399 -1.429 392 HD12 ILE 64 1HD1 ILE 64 3.953 -0.594 0.315 393 HD13 ILE 64 2HD1 ILE 64 2.738 0.489 -0.331 394 H GLU 65 H GLU 65 2.947 -5.478 -2.421 395 HA GLU 65 HA GLU 65 5.077 -6.978 -1.450 396 HB2 GLU 65 2HB GLU 65 3.205 -7.623 -3.716 397 HB3 GLU 65 1HB GLU 65 4.254 -8.794 -2.927 398 HG2 GLU 65 2HG GLU 65 2.060 -7.219 -1.613 399 HG3 GLU 65 1HG GLU 65 2.000 -8.927 -2.068 400 H GLY 66 H GLY 66 4.555 -5.822 -4.742 401 HA2 GLY 66 2HA GLY 66 6.911 -6.912 -5.859 402 HA3 GLY 66 1HA GLY 66 6.005 -5.547 -6.507 403 H SER 67 H SER 67 6.223 -3.879 -4.265 404 HA SER 67 HA SER 67 8.725 -2.701 -4.828 405 HB2 SER 67 2HB SER 67 6.732 -2.044 -2.653 406 HB3 SER 67 1HB SER 67 8.052 -1.010 -3.213 407 HG SER 67 HG SER 67 5.801 -1.888 -4.695 408 H ARG 68 H ARG 68 7.468 -4.752 -2.269 409 HA ARG 68 HA ARG 68 9.683 -4.319 -0.614 410 HB2 ARG 68 2HB ARG 68 7.836 -6.721 -0.579 411 HB3 ARG 68 1HB ARG 68 9.032 -6.376 0.650 412 HG2 ARG 68 2HG ARG 68 7.787 -4.263 1.148 413 HG3 ARG 68 1HG ARG 68 6.536 -4.812 0.032 414 HD2 ARG 68 2HD ARG 68 7.457 -6.238 2.534 415 HD3 ARG 68 1HD ARG 68 5.940 -5.371 2.335 416 HE ARG 68 HE ARG 68 5.187 -7.112 0.851 417 HH11 ARG 68 1HH1 ARG 68 8.189 -7.904 2.588 418 HH12 ARG 68 2HH1 ARG 68 8.013 -9.574 2.408 419 HH21 ARG 68 1HH2 ARG 68 4.935 -9.411 0.643 420 HH22 ARG 68 2HH2 ARG 68 6.121 -10.461 1.252 421 H GLY 69 H GLY 69 8.982 -6.670 -3.034 422 HA2 GLY 69 2HA GLY 69 11.371 -8.118 -2.736 423 HA3 GLY 69 1HA GLY 69 10.411 -8.009 -4.210 424 H TYR 70 H TYR 70 10.611 -5.080 -4.136 425 HA TYR 70 HA TYR 70 12.818 -4.925 -6.005 426 HB2 TYR 70 2HB TYR 70 10.685 -3.681 -6.309 427 HB3 TYR 70 1HB TYR 70 11.043 -2.751 -4.869 428 HD1 TYR 70 1HD TYR 70 13.024 -1.072 -4.950 429 HD2 TYR 70 2HD TYR 70 11.508 -3.072 -8.405 430 HE1 TYR 70 1HE TYR 70 14.045 0.624 -6.383 431 HE2 TYR 70 2HE TYR 70 12.556 -1.373 -9.829 432 HH TYR 70 HH TYR 70 14.838 0.823 -8.762 433 H PHE 71 H PHE 71 12.040 -3.456 -2.935 434 HA PHE 71 HA PHE 71 14.463 -2.108 -2.811 435 HB2 PHE 71 2HB PHE 71 12.309 -2.517 -0.766 436 HB3 PHE 71 1HB PHE 71 13.777 -1.612 -0.396 437 HD1 PHE 71 2HD PHE 71 14.418 0.194 -2.146 438 HD2 PHE 71 1HD PHE 71 10.506 -1.353 -1.664 439 HE1 PHE 71 2HE PHE 71 13.507 2.193 -3.255 440 HE2 PHE 71 1HE PHE 71 9.581 0.618 -2.785 441 HZ PHE 71 HZ PHE 71 11.086 2.406 -3.581 442 H GLN 72 H GLN 72 13.362 -5.106 -1.502 443 HA GLN 72 HA GLN 72 15.588 -5.743 0.046 444 HB2 GLN 72 2HB GLN 72 13.470 -7.021 0.014 445 HB3 GLN 72 1HB GLN 72 13.854 -7.586 -1.604 446 HG2 GLN 72 2HG GLN 72 15.852 -8.649 -0.750 447 HG3 GLN 72 1HG GLN 72 15.418 -8.122 0.880 448 HE21 GLN 72 1HE2 GLN 72 12.545 -8.634 0.445 449 HE22 GLN 72 2HE2 GLN 72 12.376 -10.345 0.470 450 H ARG 73 H ARG 73 15.032 -6.090 -3.474 451 HA ARG 73 HA ARG 73 17.559 -7.367 -3.961 452 HB2 ARG 73 2HB ARG 73 15.455 -6.155 -5.727 453 HB3 ARG 73 1HB ARG 73 17.054 -6.412 -6.384 454 HG2 ARG 73 2HG ARG 73 15.434 -8.182 -6.923 455 HG3 ARG 73 1HG ARG 73 16.855 -8.800 -6.068 456 HD2 ARG 73 2HD ARG 73 15.551 -8.896 -4.024 457 HD3 ARG 73 1HD ARG 73 14.178 -8.171 -4.853 458 HE ARG 73 HE ARG 73 15.086 -10.598 -6.068 459 HH11 ARG 73 1HH1 ARG 73 13.016 -9.230 -3.596 460 HH12 ARG 73 2HH1 ARG 73 11.971 -10.578 -3.468 461 HH21 ARG 73 1HH2 ARG 73 13.719 -12.434 -5.943 462 HH22 ARG 73 2HH2 ARG 73 12.382 -12.492 -4.875 463 H GLU 74 H GLU 74 16.444 -4.054 -4.220 464 HA GLU 74 HA GLU 74 18.898 -3.023 -5.090 465 HB2 GLU 74 2HB GLU 74 16.685 -1.677 -3.555 466 HB3 GLU 74 1HB GLU 74 18.082 -0.821 -4.190 467 HG2 GLU 74 2HG GLU 74 16.049 -2.343 -5.800 468 HG3 GLU 74 1HG GLU 74 16.180 -0.590 -5.665 469 H LEU 75 H LEU 75 17.855 -3.885 -1.923 470 HA LEU 75 HA LEU 75 19.864 -2.525 -0.547 471 HB2 LEU 75 2HB LEU 75 17.788 -3.438 0.449 472 HB3 LEU 75 1HB LEU 75 18.420 -5.054 0.237 473 HG LEU 75 HG LEU 75 20.171 -4.611 1.888 474 HD11 LEU 75 1HD1 LEU 75 20.214 -2.557 3.129 475 HD12 LEU 75 2HD1 LEU 75 18.892 -1.896 2.171 476 HD13 LEU 75 3HD1 LEU 75 20.467 -2.205 1.422 477 HD21 LEU 75 3HD2 LEU 75 18.753 -4.324 3.853 478 HD22 LEU 75 1HD2 LEU 75 18.019 -5.437 2.691 479 HD23 LEU 75 2HD2 LEU 75 17.439 -3.773 2.825 480 H LYS 76 H LYS 76 20.128 -5.267 -2.631 481 HA LYS 76 HA LYS 76 22.586 -6.210 -1.339 482 HB2 LYS 76 2HB LYS 76 22.441 -8.161 -2.644 483 HB3 LYS 76 1HB LYS 76 20.750 -7.767 -2.364 484 HG2 LYS 76 2HG LYS 76 20.665 -6.671 -4.572 485 HG3 LYS 76 1HG LYS 76 22.335 -7.145 -4.844 486 HD2 LYS 76 2HD LYS 76 21.600 -9.516 -4.566 487 HD3 LYS 76 1HD LYS 76 19.936 -8.917 -4.532 488 HE2 LYS 76 2HE LYS 76 21.916 -8.522 -6.769 489 HE3 LYS 76 1HE LYS 76 20.567 -9.647 -6.790 490 HZ1 LYS 76 3HZ LYS 76 19.066 -7.663 -6.613 491 HZ2 LYS 76 1HZ LYS 76 20.014 -7.672 -7.997 492 HZ3 LYS 76 2HZ LYS 76 20.426 -6.663 -6.754 493 H ARG 77 H ARG 77 21.810 -3.785 -3.397 494 HA ARG 77 HA ARG 77 22.925 -4.063 -5.878 495 HB2 ARG 77 2HB ARG 77 21.362 -2.331 -5.108 496 HB3 ARG 77 1HB ARG 77 22.677 -1.600 -4.207 497 HG2 ARG 77 2HG ARG 77 23.811 -1.000 -6.220 498 HG3 ARG 77 1HG ARG 77 22.608 -1.856 -7.194 499 HD2 ARG 77 2HD ARG 77 20.877 -0.378 -6.461 500 HD3 ARG 77 1HD ARG 77 21.968 0.409 -5.326 501 HE ARG 77 HE ARG 77 23.259 1.064 -7.359 502 HH11 ARG 77 1HH1 ARG 77 19.720 0.469 -7.584 503 HH12 ARG 77 2HH1 ARG 77 19.495 1.703 -8.708 504 HH21 ARG 77 1HH2 ARG 77 22.847 2.748 -8.931 505 HH22 ARG 77 2HH2 ARG 77 21.262 3.023 -9.486 506 H THR 78 H THR 78 24.684 -3.587 -2.958 507 HA THR 78 HA THR 78 26.869 -3.389 -2.487 508 HB THR 78 HB THR 78 27.337 -3.480 -5.490 509 HG1 THR 78 1HG THR 78 26.393 -5.361 -4.734 510 HG21 THR 78 3HG2 THR 78 29.239 -2.522 -4.266 511 HG22 THR 78 1HG2 THR 78 29.630 -4.108 -4.927 512 HG23 THR 78 2HG2 THR 78 29.268 -3.941 -3.211 513 H ASP 79 H ASP 79 25.866 -1.373 -5.196 514 HA ASP 79 HA ASP 79 27.390 0.787 -4.011 515 HB2 ASP 79 2HB ASP 79 26.904 2.164 -6.060 516 HB3 ASP 79 1HB ASP 79 27.821 0.705 -6.369 517 H LEU 80 H LEU 80 26.183 0.790 -2.254 518 HA LEU 80 HA LEU 80 24.195 2.899 -2.081 519 HB2 LEU 80 2HB LEU 80 22.447 1.590 -1.191 520 HB3 LEU 80 1HB LEU 80 22.960 0.618 -2.536 521 HG LEU 80 HG LEU 80 23.895 0.114 0.279 522 HD11 LEU 80 1HD1 LEU 80 21.467 -0.034 0.206 523 HD12 LEU 80 2HD1 LEU 80 22.202 -1.629 0.385 524 HD13 LEU 80 3HD1 LEU 80 21.580 -1.123 -1.185 525 HD21 LEU 80 3HD2 LEU 80 24.342 -2.143 -0.552 526 HD22 LEU 80 1HD2 LEU 80 25.244 -0.934 -1.462 527 HD23 LEU 80 2HD2 LEU 80 23.794 -1.662 -2.156 528 H ASP 81 H ASP 81 24.141 3.616 -0.068 529 HA ASP 81 HA ASP 81 26.030 2.404 1.804 530 HB2 ASP 81 2HB ASP 81 26.688 4.670 0.616 531 HB3 ASP 81 1HB ASP 81 25.451 5.355 1.660 532 H LEU 82 H LEU 82 25.246 4.206 3.878 533 HA LEU 82 HA LEU 82 22.927 2.948 4.798 534 HB2 LEU 82 2HB LEU 82 24.148 5.549 5.725 535 HB3 LEU 82 1HB LEU 82 22.891 4.696 6.584 536 HG LEU 82 HG LEU 82 25.713 3.741 6.130 537 HD11 LEU 82 1HD1 LEU 82 25.949 4.020 8.542 538 HD12 LEU 82 2HD1 LEU 82 24.317 4.685 8.620 539 HD13 LEU 82 3HD1 LEU 82 25.579 5.544 7.735 540 HD21 LEU 82 3HD2 LEU 82 25.132 1.902 7.656 541 HD22 LEU 82 1HD2 LEU 82 24.172 1.843 6.179 542 HD23 LEU 82 2HD2 LEU 82 23.457 2.451 7.671 543 H LEU 83 H LEU 83 23.374 5.801 2.939 544 HA LEU 83 HA LEU 83 20.906 7.113 3.411 545 HB2 LEU 83 2HB LEU 83 22.684 7.058 0.998 546 HB3 LEU 83 1HB LEU 83 21.357 8.174 1.163 547 HG LEU 83 HG LEU 83 23.301 9.432 1.604 548 HD11 LEU 83 1HD1 LEU 83 22.150 8.737 4.275 549 HD12 LEU 83 2HD1 LEU 83 21.555 9.947 3.139 550 HD13 LEU 83 3HD1 LEU 83 23.128 10.156 3.906 551 HD21 LEU 83 3HD2 LEU 83 24.912 7.629 1.935 552 HD22 LEU 83 1HD2 LEU 83 24.237 7.295 3.529 553 HD23 LEU 83 2HD2 LEU 83 25.048 8.830 3.220 554 H GLU 84 H GLU 84 21.897 4.945 0.858 555 HA GLU 84 HA GLU 84 19.348 4.897 -0.330 556 HB2 GLU 84 2HB GLU 84 21.740 3.154 -0.547 557 HB3 GLU 84 1HB GLU 84 20.304 2.824 -1.519 558 HG2 GLU 84 2HG GLU 84 21.915 3.970 -2.877 559 HG3 GLU 84 1HG GLU 84 20.634 5.120 -2.508 560 H LYS 85 H LYS 85 21.120 2.820 1.786 561 HA LYS 85 HA LYS 85 19.459 0.627 2.069 562 HB2 LYS 85 2HB LYS 85 21.736 0.718 2.946 563 HB3 LYS 85 1HB LYS 85 21.270 1.976 4.073 564 HG2 LYS 85 2HG LYS 85 19.730 0.313 5.159 565 HG3 LYS 85 1HG LYS 85 20.441 -0.921 4.124 566 HD2 LYS 85 2HD LYS 85 21.967 0.801 6.088 567 HD3 LYS 85 1HD LYS 85 21.460 -0.855 6.382 568 HE2 LYS 85 2HE LYS 85 23.315 -0.019 4.142 569 HE3 LYS 85 1HE LYS 85 23.861 -0.586 5.712 570 HZ1 LYS 85 3HZ LYS 85 22.243 -2.186 3.774 571 HZ2 LYS 85 1HZ LYS 85 22.754 -2.701 5.281 572 HZ3 LYS 85 2HZ LYS 85 23.863 -2.371 4.074 573 H PHE 86 H PHE 86 19.462 3.777 3.699 574 HA PHE 86 HA PHE 86 17.680 2.964 5.609 575 HB2 PHE 86 2HB PHE 86 19.153 4.916 5.907 576 HB3 PHE 86 1HB PHE 86 18.233 5.790 4.692 577 HD1 PHE 86 2HD PHE 86 18.087 4.319 8.060 578 HD2 PHE 86 1HD PHE 86 16.220 6.904 5.244 579 HE1 PHE 86 2HE PHE 86 16.574 5.141 9.815 580 HE2 PHE 86 1HE PHE 86 14.710 7.726 6.998 581 HZ PHE 86 HZ PHE 86 14.894 6.836 9.287 582 H ASN 87 H ASN 87 17.257 4.294 2.460 583 HA ASN 87 HA ASN 87 14.501 4.916 2.791 584 HB2 ASN 87 2HB ASN 87 16.360 5.050 0.440 585 HB3 ASN 87 1HB ASN 87 14.621 5.120 0.183 586 HD21 ASN 87 1HD2 ASN 87 17.419 6.793 1.501 587 HD22 ASN 87 2HD2 ASN 87 16.621 8.300 1.699 588 H PHE 88 H PHE 88 16.366 2.222 1.599 589 HA PHE 88 HA PHE 88 14.134 0.889 0.446 590 HB2 PHE 88 2HB PHE 88 16.581 -0.439 1.631 591 HB3 PHE 88 1HB PHE 88 15.507 -1.120 0.420 592 HD1 PHE 88 2HD PHE 88 15.362 1.586 -1.170 593 HD2 PHE 88 1HD PHE 88 18.521 -0.805 0.361 594 HE1 PHE 88 2HE PHE 88 16.867 2.508 -2.853 595 HE2 PHE 88 1HE PHE 88 20.025 0.142 -1.320 596 HZ PHE 88 HZ PHE 88 19.212 1.793 -2.880 597 H GLU 89 H GLU 89 15.714 0.790 3.592 598 HA GLU 89 HA GLU 89 13.932 -1.102 4.680 599 HB2 GLU 89 2HB GLU 89 15.584 1.006 6.073 600 HB3 GLU 89 1HB GLU 89 14.842 -0.399 6.825 601 HG2 GLU 89 2HG GLU 89 16.289 -1.858 5.469 602 HG3 GLU 89 1HG GLU 89 17.057 -0.419 4.795 603 H ALA 90 H ALA 90 13.978 2.367 4.227 604 HA ALA 90 HA ALA 90 11.883 2.919 6.074 605 HB1 ALA 90 1HB ALA 90 12.628 4.541 3.639 606 HB2 ALA 90 2HB ALA 90 13.381 4.700 5.225 607 HB3 ALA 90 3HB ALA 90 11.680 5.110 5.010 608 H ALA 91 H ALA 91 11.976 2.346 2.630 609 HA ALA 91 HA ALA 91 9.231 2.634 2.128 610 HB1 ALA 91 1HB ALA 91 10.978 2.670 0.383 611 HB2 ALA 91 2HB ALA 91 9.691 1.518 0.029 612 HB3 ALA 91 3HB ALA 91 11.243 0.954 0.655 613 H LEU 92 H LEU 92 11.194 -0.169 2.957 614 HA LEU 92 HA LEU 92 9.152 -2.081 2.747 615 HB2 LEU 92 2HB LEU 92 11.509 -2.065 4.643 616 HB3 LEU 92 1HB LEU 92 10.482 -3.448 4.351 617 HG LEU 92 HG LEU 92 12.298 -2.144 2.325 618 HD11 LEU 92 1HD1 LEU 92 13.526 -3.348 4.039 619 HD12 LEU 92 2HD1 LEU 92 13.596 -4.207 2.502 620 HD13 LEU 92 3HD1 LEU 92 12.520 -4.772 3.779 621 HD21 LEU 92 3HD2 LEU 92 10.333 -3.091 1.243 622 HD22 LEU 92 1HD2 LEU 92 10.566 -4.604 2.120 623 HD23 LEU 92 2HD2 LEU 92 11.750 -4.089 0.922 624 H ALA 93 H ALA 93 10.055 0.002 5.421 625 HA ALA 93 HA ALA 93 8.129 -1.132 7.179 626 HB1 ALA 93 1HB ALA 93 10.148 0.002 8.028 627 HB2 ALA 93 2HB ALA 93 8.673 0.725 8.671 628 HB3 ALA 93 3HB ALA 93 9.550 1.524 7.368 629 H THR 94 H THR 94 8.152 1.503 4.897 630 HA THR 94 HA THR 94 5.797 2.686 5.810 631 HB THR 94 HB THR 94 6.942 2.792 2.995 632 HG1 THR 94 1HG THR 94 8.340 3.503 4.800 633 HG21 THR 94 3HG2 THR 94 5.075 4.678 4.457 634 HG22 THR 94 1HG2 THR 94 4.620 3.604 3.134 635 HG23 THR 94 2HG2 THR 94 5.740 4.937 2.845 636 H GLY 95 H GLY 95 6.568 0.295 3.348 637 HA2 GLY 95 2HA GLY 95 3.954 -0.073 2.386 638 HA3 GLY 95 1HA GLY 95 5.297 -1.202 2.212 639 H ASP 96 H ASP 96 5.834 -1.644 4.894 640 HA ASP 96 HA ASP 96 4.093 -3.767 5.482 641 HB2 ASP 96 2HB ASP 96 6.376 -3.700 6.330 642 HB3 ASP 96 1HB ASP 96 6.014 -2.266 7.269 643 H LEU 97 H LEU 97 4.302 -0.571 6.953 644 HA LEU 97 HA LEU 97 2.243 -1.138 8.808 645 HB2 LEU 97 2HB LEU 97 2.347 1.116 9.503 646 HB3 LEU 97 1HB LEU 97 3.983 0.687 9.055 647 HG LEU 97 HG LEU 97 3.009 1.766 6.736 648 HD11 LEU 97 1HD1 LEU 97 1.959 3.890 7.293 649 HD12 LEU 97 2HD1 LEU 97 1.846 3.383 8.978 650 HD13 LEU 97 3HD1 LEU 97 0.956 2.507 7.733 651 HD21 LEU 97 3HD2 LEU 97 4.445 3.171 8.955 652 HD22 LEU 97 1HD2 LEU 97 4.347 3.674 7.250 653 HD23 LEU 97 2HD2 LEU 97 5.124 2.138 7.669 654 H LEU 98 H LEU 98 2.196 0.516 5.673 655 HA LEU 98 HA LEU 98 -0.561 1.072 5.971 656 HB2 LEU 98 2HB LEU 98 -0.548 1.973 3.776 657 HB3 LEU 98 1HB LEU 98 0.961 2.428 4.530 658 HG LEU 98 HG LEU 98 1.772 0.269 3.350 659 HD11 LEU 98 1HD1 LEU 98 -0.313 -0.399 2.347 660 HD12 LEU 98 2HD1 LEU 98 0.779 0.089 1.045 661 HD13 LEU 98 3HD1 LEU 98 -0.494 1.176 1.575 662 HD21 LEU 98 3HD2 LEU 98 2.564 1.686 1.443 663 HD22 LEU 98 1HD2 LEU 98 2.768 2.453 3.018 664 HD23 LEU 98 2HD2 LEU 98 1.438 2.939 1.967 665 H LEU 99 H LEU 99 1.265 -1.694 4.766 666 HA LEU 99 HA LEU 99 -0.836 -2.636 3.283 667 HB2 LEU 99 2HB LEU 99 1.538 -3.361 3.000 668 HB3 LEU 99 1HB LEU 99 1.425 -4.249 4.495 669 HG LEU 99 HG LEU 99 -0.237 -4.934 2.053 670 HD11 LEU 99 1HD1 LEU 99 1.399 -6.679 1.626 671 HD12 LEU 99 2HD1 LEU 99 2.422 -6.029 2.910 672 HD13 LEU 99 3HD1 LEU 99 2.086 -5.066 1.471 673 HD21 LEU 99 3HD2 LEU 99 -1.049 -5.867 4.193 674 HD22 LEU 99 1HD2 LEU 99 0.545 -6.564 4.479 675 HD23 LEU 99 2HD2 LEU 99 -0.432 -7.125 3.121 676 H LYS 100 H LYS 100 0.294 -3.057 6.518 677 HA LYS 100 HA LYS 100 -1.689 -4.879 7.290 678 HB2 LYS 100 2HB LYS 100 0.356 -3.250 8.758 679 HB3 LYS 100 1HB LYS 100 -0.846 -4.199 9.634 680 HG2 LYS 100 2HG LYS 100 0.039 -6.194 9.007 681 HG3 LYS 100 1HG LYS 100 0.599 -5.583 7.455 682 HD2 LYS 100 2HD LYS 100 2.443 -6.213 8.943 683 HD3 LYS 100 1HD LYS 100 2.474 -4.505 8.530 684 HE2 LYS 100 2HE LYS 100 1.469 -3.980 10.696 685 HE3 LYS 100 1HE LYS 100 1.460 -5.698 11.100 686 HZ1 LYS 100 3HZ LYS 100 3.384 -4.384 11.974 687 HZ2 LYS 100 1HZ LYS 100 3.899 -4.201 10.380 688 HZ3 LYS 100 2HZ LYS 100 3.837 -5.742 11.056 689 H ASP 101 H ASP 101 -1.416 -1.436 7.082 690 HA ASP 101 HA ASP 101 -3.671 -0.854 8.705 691 HB2 ASP 101 2HB ASP 101 -1.950 0.853 8.070 692 HB3 ASP 101 1HB ASP 101 -2.558 0.777 6.417 693 H LEU 102 H LEU 102 -3.153 -1.455 5.281 694 HA LEU 102 HA LEU 102 -5.699 -1.163 4.228 695 HB2 LEU 102 2HB LEU 102 -3.559 -3.188 3.556 696 HB3 LEU 102 1HB LEU 102 -5.050 -3.064 2.661 697 HG LEU 102 HG LEU 102 -3.006 -0.844 2.868 698 HD11 LEU 102 1HD1 LEU 102 -2.412 -1.456 0.579 699 HD12 LEU 102 2HD1 LEU 102 -3.556 -2.793 0.626 700 HD13 LEU 102 3HD1 LEU 102 -2.132 -2.820 1.662 701 HD21 LEU 102 3HD2 LEU 102 -5.437 -1.222 1.121 702 HD22 LEU 102 1HD2 LEU 102 -4.266 0.089 0.985 703 HD23 LEU 102 2HD2 LEU 102 -5.263 -0.051 2.432 704 H LYS 103 H LYS 103 -4.219 -3.945 5.742 705 HA LYS 103 HA LYS 103 -6.398 -5.697 5.525 706 HB2 LYS 103 2HB LYS 103 -3.797 -5.762 6.581 707 HB3 LYS 103 1HB LYS 103 -4.858 -6.205 7.908 708 HG2 LYS 103 2HG LYS 103 -4.043 -8.156 6.679 709 HG3 LYS 103 1HG LYS 103 -5.799 -8.012 6.590 710 HD2 LYS 103 2HD LYS 103 -5.640 -7.089 4.334 711 HD3 LYS 103 1HD LYS 103 -3.880 -7.085 4.447 712 HE2 LYS 103 2HE LYS 103 -3.830 -9.483 4.515 713 HE3 LYS 103 1HE LYS 103 -5.580 -9.557 4.642 714 HZ1 LYS 103 3HZ LYS 103 -4.213 -8.352 2.294 715 HZ2 LYS 103 1HZ LYS 103 -5.814 -8.779 2.458 716 HZ3 LYS 103 2HZ LYS 103 -4.653 -9.981 2.362 717 H ALA 104 H ALA 104 -5.602 -3.326 8.005 718 HA ALA 104 HA ALA 104 -7.598 -4.185 9.836 719 HB1 ALA 104 1HB ALA 104 -5.614 -2.925 10.562 720 HB2 ALA 104 2HB ALA 104 -7.107 -2.114 11.032 721 HB3 ALA 104 3HB ALA 104 -6.180 -1.524 9.653 722 H LEU 105 H LEU 105 -7.396 -1.681 7.362 723 HA LEU 105 HA LEU 105 -9.948 -0.712 7.996 724 HB2 LEU 105 2HB LEU 105 -9.755 0.843 6.247 725 HB3 LEU 105 1HB LEU 105 -8.107 0.605 6.773 726 HG LEU 105 HG LEU 105 -8.264 -1.195 4.773 727 HD11 LEU 105 1HD1 LEU 105 -10.062 1.043 3.919 728 HD12 LEU 105 2HD1 LEU 105 -10.487 -0.656 4.127 729 HD13 LEU 105 3HD1 LEU 105 -9.368 -0.180 2.852 730 HD21 LEU 105 3HD2 LEU 105 -7.058 0.437 3.399 731 HD22 LEU 105 1HD2 LEU 105 -6.508 0.511 5.073 732 HD23 LEU 105 2HD2 LEU 105 -7.615 1.735 4.450 733 H GLN 106 H GLN 106 -8.637 -3.075 5.867 734 HA GLN 106 HA GLN 106 -10.872 -3.700 4.247 735 HB2 GLN 106 2HB GLN 106 -8.330 -4.492 4.240 736 HB3 GLN 106 1HB GLN 106 -8.935 -5.761 5.272 737 HG2 GLN 106 2HG GLN 106 -9.861 -5.233 2.451 738 HG3 GLN 106 1HG GLN 106 -8.628 -6.393 2.905 739 HE21 GLN 106 1HE2 GLN 106 -11.962 -5.700 2.742 740 HE22 GLN 106 2HE2 GLN 106 -12.500 -7.290 3.138 741 H LYS 107 H LYS 107 -9.963 -4.938 7.408 742 HA LYS 107 HA LYS 107 -12.264 -6.591 7.590 743 HB2 LYS 107 2HB LYS 107 -10.598 -5.376 9.802 744 HB3 LYS 107 1HB LYS 107 -11.778 -6.664 10.022 745 HG2 LYS 107 2HG LYS 107 -9.307 -6.847 8.305 746 HG3 LYS 107 1HG LYS 107 -9.463 -7.490 9.938 747 HD2 LYS 107 2HD LYS 107 -11.164 -9.036 9.232 748 HD3 LYS 107 1HD LYS 107 -11.238 -8.304 7.629 749 HE2 LYS 107 2HE LYS 107 -9.025 -9.040 7.121 750 HE3 LYS 107 1HE LYS 107 -8.779 -9.628 8.764 751 HZ1 LYS 107 3HZ LYS 107 -9.308 -11.410 7.196 752 HZ2 LYS 107 1HZ LYS 107 -10.800 -10.704 6.859 753 HZ3 LYS 107 2HZ LYS 107 -10.474 -11.285 8.406 754 H ARG 108 H ARG 108 -11.675 -3.240 8.356 755 HA ARG 108 HA ARG 108 -14.154 -2.718 9.615 756 HB2 ARG 108 2HB ARG 108 -12.362 -1.158 9.954 757 HB3 ARG 108 1HB ARG 108 -12.147 -0.952 8.224 758 HG2 ARG 108 2HG ARG 108 -14.349 0.126 8.090 759 HG3 ARG 108 1HG ARG 108 -14.527 -0.048 9.833 760 HD2 ARG 108 2HD ARG 108 -12.682 1.393 10.236 761 HD3 ARG 108 1HD ARG 108 -12.253 1.422 8.521 762 HE ARG 108 HE ARG 108 -14.838 2.313 8.685 763 HH11 ARG 108 1HH1 ARG 108 -11.742 3.420 10.013 764 HH12 ARG 108 2HH1 ARG 108 -12.183 5.066 9.947 765 HH21 ARG 108 1HH2 ARG 108 -15.379 4.580 8.562 766 HH22 ARG 108 2HH2 ARG 108 -14.235 5.725 9.070 767 H VAL 109 H VAL 109 -13.019 -2.525 6.281 768 HA VAL 109 HA VAL 109 -15.430 -1.527 5.373 769 HB VAL 109 HB VAL 109 -13.183 -2.860 3.825 770 HG11 VAL 109 1HG1 VAL 109 -15.243 -2.955 2.520 771 HG12 VAL 109 2HG1 VAL 109 -14.156 -1.733 1.842 772 HG13 VAL 109 3HG1 VAL 109 -15.529 -1.246 2.830 773 HG21 VAL 109 3HG2 VAL 109 -12.530 -0.831 4.968 774 HG22 VAL 109 1HG2 VAL 109 -13.886 0.033 4.248 775 HG23 VAL 109 2HG2 VAL 109 -12.585 -0.573 3.223 776 H GLN 110 H GLN 110 -14.104 -4.760 5.675 777 HA GLN 110 HA GLN 110 -15.909 -6.368 4.372 778 HB2 GLN 110 2HB GLN 110 -14.453 -6.707 6.968 779 HB3 GLN 110 1HB GLN 110 -15.588 -7.924 6.428 780 HG2 GLN 110 2HG GLN 110 -13.193 -6.994 4.875 781 HG3 GLN 110 1HG GLN 110 -13.230 -8.420 5.908 782 HE21 GLN 110 1HE2 GLN 110 -15.954 -9.155 5.160 783 HE22 GLN 110 2HE2 GLN 110 -15.842 -9.782 3.568 784 H ASP 111 H ASP 111 -16.160 -4.996 7.645 785 HA ASP 111 HA ASP 111 -18.713 -6.147 7.670 786 HB2 ASP 111 2HB ASP 111 -17.275 -6.010 9.728 787 HB3 ASP 111 1HB ASP 111 -17.710 -4.304 9.823 788 H SER 112 H SER 112 -17.361 -2.909 7.865 789 HA SER 112 HA SER 112 -17.941 -0.860 7.510 790 HB2 SER 112 2HB SER 112 -19.474 -0.324 5.592 791 HB3 SER 112 1HB SER 112 -18.132 -1.402 5.222 792 HG SER 112 HG SER 112 -20.101 -2.937 5.962 793 H GLU 113 H GLU 113 -20.471 -2.776 8.550 794 HA GLU 113 HA GLU 113 -22.320 -2.499 9.739 795 HB2 GLU 113 2HB GLU 113 -21.180 0.231 10.446 796 HB3 GLU 113 1HB GLU 113 -22.604 -0.464 11.190 797 HG2 GLU 113 2HG GLU 113 -20.967 -0.884 12.765 798 HG3 GLU 113 1HG GLU 113 -21.011 -2.395 11.870 Start of MODEL 8 1 H1 ASN 18 1HT ASN 18 10.656 11.878 3.071 2 H2 ASN 18 2HT ASN 18 11.132 13.065 1.970 3 H3 ASN 18 3HT ASN 18 11.796 13.028 3.541 4 HA ASN 18 HA ASN 18 13.325 12.185 1.908 5 HB2 ASN 18 2HB ASN 18 12.239 10.055 3.790 6 HB3 ASN 18 1HB ASN 18 13.792 9.976 2.975 7 HD21 ASN 18 1HD2 ASN 18 14.935 9.903 4.942 8 HD22 ASN 18 2HD2 ASN 18 15.057 11.295 5.936 9 H THR 19 H THR 19 13.804 9.933 0.781 10 HA THR 19 HA THR 19 12.207 9.979 -1.463 11 HB THR 19 HB THR 19 13.576 7.836 -1.908 12 HG1 THR 19 1HG THR 19 14.465 7.147 -0.131 13 HG21 THR 19 3HG2 THR 19 15.596 9.191 -2.303 14 HG22 THR 19 1HG2 THR 19 14.945 10.460 -1.268 15 HG23 THR 19 2HG2 THR 19 14.147 10.074 -2.789 16 H ALA 20 H ALA 20 12.433 7.496 1.069 17 HA ALA 20 HA ALA 20 10.857 5.525 -0.068 18 HB1 ALA 20 1HB ALA 20 10.651 4.607 2.155 19 HB2 ALA 20 2HB ALA 20 11.147 6.150 2.849 20 HB3 ALA 20 3HB ALA 20 12.281 5.216 1.874 21 H THR 21 H THR 21 9.764 8.113 2.153 22 HA THR 21 HA THR 21 7.114 7.138 2.223 23 HB THR 21 HB THR 21 6.795 9.451 3.277 24 HG1 THR 21 1HG THR 21 8.778 10.328 3.990 25 HG21 THR 21 3HG2 THR 21 8.684 7.419 4.502 26 HG22 THR 21 1HG2 THR 21 6.923 7.365 4.572 27 HG23 THR 21 2HG2 THR 21 7.797 8.648 5.405 28 H GLN 22 H GLN 22 8.829 9.621 0.451 29 HA GLN 22 HA GLN 22 6.514 10.770 -0.728 30 HB2 GLN 22 2HB GLN 22 9.418 10.861 -1.521 31 HB3 GLN 22 1HB GLN 22 8.145 11.788 -2.315 32 HG2 GLN 22 2HG GLN 22 7.700 13.045 -0.375 33 HG3 GLN 22 1HG GLN 22 8.651 11.960 0.633 34 HE21 GLN 22 1HE2 GLN 22 9.725 13.053 -2.497 35 HE22 GLN 22 2HE2 GLN 22 10.994 14.050 -1.908 36 H ARG 23 H ARG 23 8.683 8.207 -1.642 37 HA ARG 23 HA ARG 23 7.589 7.694 -4.189 38 HB2 ARG 23 2HB ARG 23 9.777 6.854 -3.496 39 HB3 ARG 23 1HB ARG 23 9.029 5.882 -2.249 40 HG2 ARG 23 2HG ARG 23 9.678 4.465 -4.066 41 HG3 ARG 23 1HG ARG 23 7.922 4.539 -4.012 42 HD2 ARG 23 2HD ARG 23 9.617 6.217 -5.868 43 HD3 ARG 23 1HD ARG 23 8.967 4.648 -6.312 44 HE ARG 23 HE ARG 23 6.883 6.310 -5.411 45 HH11 ARG 23 1HH1 ARG 23 9.059 5.964 -8.181 46 HH12 ARG 23 2HH1 ARG 23 7.963 6.665 -9.287 47 HH21 ARG 23 1HH2 ARG 23 5.456 7.339 -6.896 48 HH22 ARG 23 2HH2 ARG 23 5.863 7.454 -8.547 49 H PHE 24 H PHE 24 6.694 6.658 -0.926 50 HA PHE 24 HA PHE 24 4.629 4.978 -2.090 51 HB2 PHE 24 2HB PHE 24 5.742 5.136 0.709 52 HB3 PHE 24 1HB PHE 24 4.248 4.280 0.356 53 HD1 PHE 24 1HD PHE 24 5.969 3.713 -2.544 54 HD2 PHE 24 2HD PHE 24 6.252 2.655 1.615 55 HE1 PHE 24 1HE PHE 24 7.209 1.708 -3.124 56 HE2 PHE 24 2HE PHE 24 7.493 0.673 0.989 57 HZ PHE 24 HZ PHE 24 7.978 0.180 -1.365 58 H HIS 25 H HIS 25 4.699 8.020 -1.838 59 HA HIS 25 HA HIS 25 2.390 8.508 -0.249 60 HB2 HIS 25 2HB HIS 25 3.998 10.350 -0.781 61 HB3 HIS 25 1HB HIS 25 3.502 10.259 -2.466 62 HD1 HIS 25 1HD HIS 25 2.502 11.763 0.805 63 HD2 HIS 25 2HD HIS 25 0.828 11.227 -2.962 64 HE1 HIS 25 1HE HIS 25 0.531 13.264 0.730 65 HE2 HIS 25 2HE HIS 25 -0.642 12.618 -1.372 66 H GLU 26 H GLU 26 3.000 7.582 -3.503 67 HA GLU 26 HA GLU 26 0.492 8.135 -4.607 68 HB2 GLU 26 2HB GLU 26 2.588 6.104 -5.368 69 HB3 GLU 26 1HB GLU 26 1.108 6.315 -6.286 70 HG2 GLU 26 2HG GLU 26 2.947 7.506 -7.337 71 HG3 GLU 26 1HG GLU 26 1.732 8.639 -6.762 72 H ILE 27 H ILE 27 1.676 5.309 -2.903 73 HA ILE 27 HA ILE 27 -0.840 4.033 -3.285 74 HB ILE 27 HB ILE 27 1.078 2.558 -3.142 75 HG12 ILE 27 2HG1 ILE 27 0.330 0.949 -1.419 76 HG13 ILE 27 1HG1 ILE 27 -0.662 2.208 -0.690 77 HG21 ILE 27 1HG2 ILE 27 2.389 2.253 -1.110 78 HG22 ILE 27 2HG2 ILE 27 1.507 3.583 -0.358 79 HG23 ILE 27 3HG2 ILE 27 2.531 3.886 -1.758 80 HD11 ILE 27 3HD1 ILE 27 -2.005 0.708 -2.037 81 HD12 ILE 27 1HD1 ILE 27 -1.008 1.063 -3.451 82 HD13 ILE 27 2HD1 ILE 27 -1.989 2.333 -2.727 83 H GLU 28 H GLU 28 0.634 5.973 -0.743 84 HA GLU 28 HA GLU 28 -1.362 5.361 1.139 85 HB2 GLU 28 2HB GLU 28 -0.354 6.974 2.574 86 HB3 GLU 28 1HB GLU 28 0.952 6.407 1.570 87 HG2 GLU 28 2HG GLU 28 1.349 8.677 1.672 88 HG3 GLU 28 1HG GLU 28 0.470 8.502 0.150 89 H LYS 29 H LYS 29 -1.133 7.873 -1.320 90 HA LYS 29 HA LYS 29 -3.546 9.192 -0.636 91 HB2 LYS 29 2HB LYS 29 -3.413 10.331 -2.758 92 HB3 LYS 29 1HB LYS 29 -1.768 10.167 -2.165 93 HG2 LYS 29 2HG LYS 29 -1.554 8.162 -3.681 94 HG3 LYS 29 1HG LYS 29 -3.107 8.615 -4.366 95 HD2 LYS 29 2HD LYS 29 -0.595 10.275 -4.353 96 HD3 LYS 29 1HD LYS 29 -1.248 9.416 -5.732 97 HE2 LYS 29 2HE LYS 29 -2.598 11.717 -4.304 98 HE3 LYS 29 1HE LYS 29 -1.770 11.814 -5.849 99 HZ1 LYS 29 3HZ LYS 29 -3.433 10.275 -6.778 100 HZ2 LYS 29 1HZ LYS 29 -4.134 11.665 -6.152 101 HZ3 LYS 29 2HZ LYS 29 -4.236 10.246 -5.294 102 H PHE 30 H PHE 30 -2.798 6.452 -2.678 103 HA PHE 30 HA PHE 30 -5.336 6.126 -3.840 104 HB2 PHE 30 2HB PHE 30 -3.140 5.089 -4.534 105 HB3 PHE 30 1HB PHE 30 -3.383 4.019 -3.143 106 HD1 PHE 30 1HD PHE 30 -5.063 5.111 -6.265 107 HD2 PHE 30 2HD PHE 30 -4.534 2.028 -3.393 108 HE1 PHE 30 1HE PHE 30 -6.446 3.601 -7.631 109 HE2 PHE 30 2HE PHE 30 -5.913 0.526 -4.751 110 HZ PHE 30 HZ PHE 30 -6.871 1.311 -6.864 111 H LEU 31 H LEU 31 -3.845 4.920 -0.899 112 HA LEU 31 HA LEU 31 -5.872 3.183 -0.070 113 HB2 LEU 31 2HB LEU 31 -3.575 3.258 0.849 114 HB3 LEU 31 1HB LEU 31 -3.909 4.814 1.562 115 HG LEU 31 HG LEU 31 -5.442 2.354 2.412 116 HD11 LEU 31 1HD1 LEU 31 -3.074 1.839 2.612 117 HD12 LEU 31 2HD1 LEU 31 -3.788 2.101 4.205 118 HD13 LEU 31 3HD1 LEU 31 -2.801 3.361 3.458 119 HD21 LEU 31 3HD2 LEU 31 -5.672 3.608 4.504 120 HD22 LEU 31 1HD2 LEU 31 -6.290 4.551 3.146 121 HD23 LEU 31 2HD2 LEU 31 -4.710 4.925 3.835 122 H LEU 32 H LEU 32 -5.425 6.647 0.336 123 HA LEU 32 HA LEU 32 -7.629 7.097 1.996 124 HB2 LEU 32 2HB LEU 32 -6.642 8.999 -0.122 125 HB3 LEU 32 1HB LEU 32 -7.533 9.414 1.328 126 HG LEU 32 HG LEU 32 -4.808 8.295 1.188 127 HD11 LEU 32 1HD1 LEU 32 -4.895 10.613 0.388 128 HD12 LEU 32 2HD1 LEU 32 -4.090 10.570 1.957 129 HD13 LEU 32 3HD1 LEU 32 -5.766 11.104 1.841 130 HD21 LEU 32 3HD2 LEU 32 -4.695 8.902 3.632 131 HD22 LEU 32 1HD2 LEU 32 -5.835 7.610 3.242 132 HD23 LEU 32 2HD2 LEU 32 -6.423 9.238 3.550 133 H HIS 33 H HIS 33 -7.127 7.179 -1.390 134 HA HIS 33 HA HIS 33 -9.754 7.732 -2.234 135 HB2 HIS 33 2HB HIS 33 -7.890 7.853 -3.850 136 HB3 HIS 33 1HB HIS 33 -7.701 6.102 -3.779 137 HD1 HIS 33 1HD HIS 33 -9.899 8.770 -5.201 138 HD2 HIS 33 2HD HIS 33 -9.598 4.637 -5.276 139 HE1 HIS 33 1HE HIS 33 -11.558 7.999 -6.926 140 HE2 HIS 33 2HE HIS 33 -11.617 5.507 -6.587 141 H ILE 34 H ILE 34 -8.277 4.586 -1.474 142 HA ILE 34 HA ILE 34 -10.437 2.991 -2.257 143 HB ILE 34 HB ILE 34 -8.313 2.580 -0.128 144 HG12 ILE 34 2HG1 ILE 34 -7.521 2.591 -2.465 145 HG13 ILE 34 1HG1 ILE 34 -7.279 1.039 -1.678 146 HG21 ILE 34 1HG2 ILE 34 -10.220 1.276 0.572 147 HG22 ILE 34 2HG2 ILE 34 -8.909 0.235 0.026 148 HG23 ILE 34 3HG2 ILE 34 -10.305 0.510 -1.016 149 HD11 ILE 34 3HD1 ILE 34 -9.464 1.715 -3.640 150 HD12 ILE 34 1HD1 ILE 34 -9.260 0.174 -2.809 151 HD13 ILE 34 2HD1 ILE 34 -8.031 0.731 -3.948 152 H THR 35 H THR 35 -9.697 4.529 0.840 153 HA THR 35 HA THR 35 -11.940 3.585 2.251 154 HB THR 35 HB THR 35 -10.584 6.233 2.601 155 HG1 THR 35 1HG THR 35 -8.967 4.551 2.673 156 HG21 THR 35 3HG2 THR 35 -11.994 4.444 4.588 157 HG22 THR 35 1HG2 THR 35 -12.608 5.964 3.933 158 HG23 THR 35 2HG2 THR 35 -11.185 5.966 4.971 159 H HIS 36 H HIS 36 -11.452 6.531 0.344 160 HA HIS 36 HA HIS 36 -14.100 7.421 0.834 161 HB2 HIS 36 2HB HIS 36 -12.069 8.469 -1.123 162 HB3 HIS 36 1HB HIS 36 -13.662 9.196 -0.887 163 HD1 HIS 36 1HD HIS 36 -13.888 9.017 2.168 164 HD2 HIS 36 2HD HIS 36 -10.444 10.254 0.174 165 HE1 HIS 36 1HE HIS 36 -12.564 10.350 3.849 166 HE2 HIS 36 2HE HIS 36 -10.466 11.057 2.628 167 H GLU 37 H GLU 37 -12.712 5.496 -1.667 168 HA GLU 37 HA GLU 37 -14.840 5.433 -3.436 169 HB2 GLU 37 2HB GLU 37 -12.436 4.456 -3.581 170 HB3 GLU 37 1HB GLU 37 -13.098 3.085 -2.709 171 HG2 GLU 37 2HG GLU 37 -13.070 2.547 -4.998 172 HG3 GLU 37 1HG GLU 37 -14.758 2.836 -4.542 173 H VAL 38 H VAL 38 -14.193 3.896 -0.317 174 HA VAL 38 HA VAL 38 -16.265 1.976 -0.254 175 HB VAL 38 HB VAL 38 -15.136 3.570 2.090 176 HG11 VAL 38 1HG1 VAL 38 -15.922 1.683 3.488 177 HG12 VAL 38 2HG1 VAL 38 -16.593 0.919 2.049 178 HG13 VAL 38 3HG1 VAL 38 -17.256 2.451 2.619 179 HG21 VAL 38 3HG2 VAL 38 -13.365 2.356 0.954 180 HG22 VAL 38 1HG2 VAL 38 -14.287 0.861 1.107 181 HG23 VAL 38 2HG2 VAL 38 -13.692 1.682 2.552 182 H ASP 39 H ASP 39 -15.934 5.248 0.894 183 HA ASP 39 HA ASP 39 -18.407 5.637 1.965 184 HB2 ASP 39 2HB ASP 39 -16.738 7.693 0.505 185 HB3 ASP 39 1HB ASP 39 -18.106 8.080 1.528 186 H ASP 40 H ASP 40 -17.292 5.959 -1.305 187 HA ASP 40 HA ASP 40 -19.609 7.225 -2.288 188 HB2 ASP 40 2HB ASP 40 -17.340 7.606 -3.210 189 HB3 ASP 40 1HB ASP 40 -17.296 5.949 -3.750 190 H LEU 41 H LEU 41 -18.289 3.959 -2.394 191 HA LEU 41 HA LEU 41 -20.400 3.102 -4.048 192 HB2 LEU 41 2HB LEU 41 -19.587 0.818 -3.666 193 HB3 LEU 41 1HB LEU 41 -18.323 1.906 -4.167 194 HG LEU 41 HG LEU 41 -17.756 2.014 -1.641 195 HD11 LEU 41 1HD1 LEU 41 -18.226 -0.018 -0.423 196 HD12 LEU 41 2HD1 LEU 41 -19.270 -0.574 -1.731 197 HD13 LEU 41 3HD1 LEU 41 -19.702 0.868 -0.802 198 HD21 LEU 41 3HD2 LEU 41 -17.215 -0.458 -3.261 199 HD22 LEU 41 1HD2 LEU 41 -16.310 0.072 -1.850 200 HD23 LEU 41 2HD2 LEU 41 -16.301 1.054 -3.317 201 H GLU 42 H GLU 42 -19.885 3.315 -0.655 202 HA GLU 42 HA GLU 42 -21.856 1.638 0.300 203 HB2 GLU 42 2HB GLU 42 -19.924 3.104 1.415 204 HB3 GLU 42 1HB GLU 42 -21.281 4.173 1.731 205 HG2 GLU 42 2HG GLU 42 -20.984 2.827 3.629 206 HG3 GLU 42 1HG GLU 42 -22.434 2.246 2.792 207 H LYS 43 H LYS 43 -21.950 5.075 -0.688 208 HA LYS 43 HA LYS 43 -24.751 5.322 0.072 209 HB2 LYS 43 2HB LYS 43 -24.539 7.691 -0.661 210 HB3 LYS 43 1HB LYS 43 -23.278 7.243 0.472 211 HG2 LYS 43 2HG LYS 43 -22.135 8.510 -1.095 212 HG3 LYS 43 1HG LYS 43 -21.833 6.868 -1.648 213 HD2 LYS 43 2HD LYS 43 -23.792 7.174 -3.224 214 HD3 LYS 43 1HD LYS 43 -23.778 8.879 -2.782 215 HE2 LYS 43 2HE LYS 43 -21.513 7.335 -4.041 216 HE3 LYS 43 1HE LYS 43 -22.554 8.487 -4.858 217 HZ1 LYS 43 3HZ LYS 43 -20.803 9.208 -2.574 218 HZ2 LYS 43 1HZ LYS 43 -21.598 10.265 -3.622 219 HZ3 LYS 43 2HZ LYS 43 -20.319 9.280 -4.172 220 H THR 44 H THR 44 -23.023 4.303 -2.464 221 HA THR 44 HA THR 44 -24.790 4.989 -4.590 222 HB THR 44 HB THR 44 -22.215 3.686 -4.157 223 HG1 THR 44 1HG THR 44 -21.556 5.411 -4.875 224 HG21 THR 44 3HG2 THR 44 -23.555 3.474 -6.837 225 HG22 THR 44 1HG2 THR 44 -23.217 2.141 -5.687 226 HG23 THR 44 2HG2 THR 44 -21.878 3.063 -6.370 227 H GLY 45 H GLY 45 -24.107 2.186 -2.583 228 HA2 GLY 45 2HA GLY 45 -26.481 1.058 -2.373 229 HA3 GLY 45 1HA GLY 45 -26.100 0.626 -4.036 230 H ASN 46 H ASN 46 -23.494 0.137 -3.960 231 HA ASN 46 HA ASN 46 -21.905 -1.351 -3.486 232 HB2 ASN 46 2HB ASN 46 -21.799 -0.449 -1.230 233 HB3 ASN 46 1HB ASN 46 -23.198 -1.401 -0.744 234 HD21 ASN 46 1HD2 ASN 46 -22.069 -2.408 0.870 235 HD22 ASN 46 2HD2 ASN 46 -20.901 -3.633 0.570 236 H LYS 47 H LYS 47 -23.433 -2.350 -5.100 237 HA LYS 47 HA LYS 47 -24.688 -4.717 -4.126 238 HB2 LYS 47 2HB LYS 47 -25.602 -3.720 -6.151 239 HB3 LYS 47 1HB LYS 47 -24.070 -3.949 -6.984 240 HG2 LYS 47 2HG LYS 47 -24.326 -6.359 -6.847 241 HG3 LYS 47 1HG LYS 47 -25.813 -6.152 -5.926 242 HD2 LYS 47 2HD LYS 47 -26.884 -5.102 -7.823 243 HD3 LYS 47 1HD LYS 47 -25.382 -5.201 -8.747 244 HE2 LYS 47 2HE LYS 47 -26.947 -6.992 -9.354 245 HE3 LYS 47 1HE LYS 47 -25.450 -7.615 -8.673 246 HZ1 LYS 47 3HZ LYS 47 -26.591 -7.988 -6.565 247 HZ2 LYS 47 1HZ LYS 47 -27.392 -8.767 -7.806 248 HZ3 LYS 47 2HZ LYS 47 -28.017 -7.347 -7.178 249 H ASP 48 H ASP 48 -21.719 -4.138 -5.918 250 HA ASP 48 HA ASP 48 -20.635 -6.619 -4.738 251 HB2 ASP 48 2HB ASP 48 -20.133 -5.797 -7.618 252 HB3 ASP 48 1HB ASP 48 -19.502 -7.219 -6.821 253 H GLU 49 H GLU 49 -20.496 -3.451 -5.029 254 HA GLU 49 HA GLU 49 -17.884 -2.845 -5.929 255 HB2 GLU 49 2HB GLU 49 -19.782 -1.212 -4.250 256 HB3 GLU 49 1HB GLU 49 -18.302 -0.611 -4.974 257 HG2 GLU 49 2HG GLU 49 -20.113 0.150 -6.304 258 HG3 GLU 49 1HG GLU 49 -19.283 -1.108 -7.213 259 H LYS 50 H LYS 50 -19.166 -3.459 -2.741 260 HA LYS 50 HA LYS 50 -16.921 -2.630 -1.306 261 HB2 LYS 50 2HB LYS 50 -19.220 -3.366 -0.425 262 HB3 LYS 50 1HB LYS 50 -18.662 -4.992 -0.638 263 HG2 LYS 50 2HG LYS 50 -18.443 -4.311 1.681 264 HG3 LYS 50 1HG LYS 50 -16.852 -4.634 0.989 265 HD2 LYS 50 2HD LYS 50 -16.776 -2.678 2.297 266 HD3 LYS 50 1HD LYS 50 -16.600 -2.236 0.591 267 HE2 LYS 50 2HE LYS 50 -18.008 -0.638 1.666 268 HE3 LYS 50 1HE LYS 50 -19.028 -1.630 0.628 269 HZ1 LYS 50 3HZ LYS 50 -19.959 -1.138 2.767 270 HZ2 LYS 50 1HZ LYS 50 -18.715 -1.957 3.549 271 HZ3 LYS 50 2HZ LYS 50 -19.802 -2.822 2.575 272 H ALA 51 H ALA 51 -17.850 -5.714 -2.496 273 HA ALA 51 HA ALA 51 -15.544 -7.169 -1.766 274 HB1 ALA 51 1HB ALA 51 -17.640 -8.276 -2.402 275 HB2 ALA 51 2HB ALA 51 -16.285 -8.868 -3.368 276 HB3 ALA 51 3HB ALA 51 -17.426 -7.718 -4.061 277 H ARG 52 H ARG 52 -16.423 -5.558 -4.769 278 HA ARG 52 HA ARG 52 -14.077 -6.129 -6.198 279 HB2 ARG 52 2HB ARG 52 -15.874 -5.269 -7.491 280 HB3 ARG 52 1HB ARG 52 -16.090 -3.892 -6.421 281 HG2 ARG 52 2HG ARG 52 -15.125 -3.169 -8.518 282 HG3 ARG 52 1HG ARG 52 -13.970 -2.950 -7.211 283 HD2 ARG 52 2HD ARG 52 -13.070 -5.270 -7.953 284 HD3 ARG 52 1HD ARG 52 -13.948 -4.940 -9.451 285 HE ARG 52 HE ARG 52 -12.041 -2.992 -8.388 286 HH11 ARG 52 1HH1 ARG 52 -12.986 -5.134 -11.039 287 HH12 ARG 52 2HH1 ARG 52 -11.746 -4.609 -12.070 288 HH21 ARG 52 1HH2 ARG 52 -10.321 -2.300 -9.770 289 HH22 ARG 52 2HH2 ARG 52 -10.188 -2.979 -11.338 290 H LEU 53 H LEU 53 -14.828 -3.339 -4.101 291 HA LEU 53 HA LEU 53 -12.451 -2.042 -4.582 292 HB2 LEU 53 2HB LEU 53 -14.355 -0.958 -3.702 293 HB3 LEU 53 1HB LEU 53 -14.372 -2.023 -2.303 294 HG LEU 53 HG LEU 53 -12.177 -1.284 -1.832 295 HD11 LEU 53 1HD1 LEU 53 -11.561 1.058 -2.679 296 HD12 LEU 53 2HD1 LEU 53 -12.895 0.888 -3.821 297 HD13 LEU 53 3HD1 LEU 53 -11.516 -0.208 -3.906 298 HD21 LEU 53 3HD2 LEU 53 -14.365 0.747 -1.665 299 HD22 LEU 53 1HD2 LEU 53 -12.906 0.768 -0.686 300 HD23 LEU 53 2HD2 LEU 53 -14.044 -0.578 -0.540 301 H LEU 54 H LEU 54 -13.382 -4.436 -2.149 302 HA LEU 54 HA LEU 54 -10.958 -4.136 -0.768 303 HB2 LEU 54 2HB LEU 54 -12.954 -6.382 -0.661 304 HB3 LEU 54 1HB LEU 54 -11.610 -6.183 0.456 305 HG LEU 54 HG LEU 54 -13.947 -4.319 0.100 306 HD11 LEU 54 1HD1 LEU 54 -14.536 -6.237 1.364 307 HD12 LEU 54 2HD1 LEU 54 -14.411 -4.840 2.435 308 HD13 LEU 54 3HD1 LEU 54 -13.125 -6.045 2.397 309 HD21 LEU 54 3HD2 LEU 54 -12.927 -3.049 2.005 310 HD22 LEU 54 1HD2 LEU 54 -12.032 -2.936 0.492 311 HD23 LEU 54 2HD2 LEU 54 -11.460 -3.992 1.767 312 H ARG 55 H ARG 55 -11.972 -6.137 -3.362 313 HA ARG 55 HA ARG 55 -9.593 -7.737 -3.389 314 HB2 ARG 55 2HB ARG 55 -11.534 -7.156 -5.641 315 HB3 ARG 55 1HB ARG 55 -10.260 -8.369 -5.708 316 HG2 ARG 55 2HG ARG 55 -11.303 -9.605 -3.903 317 HG3 ARG 55 1HG ARG 55 -12.539 -8.359 -3.741 318 HD2 ARG 55 2HD ARG 55 -13.158 -8.823 -6.131 319 HD3 ARG 55 1HD ARG 55 -12.084 -10.223 -6.051 320 HE ARG 55 HE ARG 55 -13.836 -10.327 -3.891 321 HH11 ARG 55 1HH1 ARG 55 -13.880 -10.708 -7.407 322 HH12 ARG 55 2HH1 ARG 55 -15.272 -11.694 -7.437 323 HH21 ARG 55 1HH2 ARG 55 -15.795 -11.666 -3.934 324 HH22 ARG 55 2HH2 ARG 55 -16.366 -12.265 -5.407 325 H GLU 56 H GLU 56 -10.539 -4.670 -4.708 326 HA GLU 56 HA GLU 56 -8.442 -4.096 -6.451 327 HB2 GLU 56 2HB GLU 56 -10.560 -2.815 -6.167 328 HB3 GLU 56 1HB GLU 56 -9.977 -2.252 -4.611 329 HG2 GLU 56 2HG GLU 56 -9.629 -0.501 -6.081 330 HG3 GLU 56 1HG GLU 56 -8.058 -1.242 -5.845 331 H LEU 57 H LEU 57 -8.828 -3.572 -2.930 332 HA LEU 57 HA LEU 57 -6.255 -2.434 -2.739 333 HB2 LEU 57 2HB LEU 57 -6.475 -2.424 -0.321 334 HB3 LEU 57 1HB LEU 57 -7.858 -1.684 -1.092 335 HG LEU 57 HG LEU 57 -9.042 -3.926 -0.596 336 HD11 LEU 57 1HD1 LEU 57 -7.057 -5.242 -0.029 337 HD12 LEU 57 2HD1 LEU 57 -8.197 -5.180 1.311 338 HD13 LEU 57 3HD1 LEU 57 -6.746 -4.181 1.348 339 HD21 LEU 57 3HD2 LEU 57 -8.199 -2.077 1.620 340 HD22 LEU 57 1HD2 LEU 57 -9.564 -3.190 1.682 341 HD23 LEU 57 2HD2 LEU 57 -9.569 -1.862 0.526 342 H THR 58 H THR 58 -7.476 -5.592 -2.521 343 HA THR 58 HA THR 58 -5.252 -6.803 -1.382 344 HB THR 58 HB THR 58 -7.197 -7.926 -3.432 345 HG1 THR 58 1HG THR 58 -8.151 -7.116 -1.467 346 HG21 THR 58 3HG2 THR 58 -5.187 -9.329 -3.183 347 HG22 THR 58 1HG2 THR 58 -6.613 -10.129 -2.520 348 HG23 THR 58 2HG2 THR 58 -5.446 -9.373 -1.435 349 H VAL 59 H VAL 59 -6.042 -5.955 -4.712 350 HA VAL 59 HA VAL 59 -3.624 -6.853 -5.894 351 HB VAL 59 HB VAL 59 -5.476 -4.615 -6.818 352 HG11 VAL 59 1HG1 VAL 59 -3.388 -6.154 -8.371 353 HG12 VAL 59 2HG1 VAL 59 -3.279 -4.465 -7.883 354 HG13 VAL 59 3HG1 VAL 59 -4.505 -4.968 -9.047 355 HG21 VAL 59 3HG2 VAL 59 -5.395 -7.530 -7.584 356 HG22 VAL 59 1HG2 VAL 59 -6.421 -6.308 -8.329 357 HG23 VAL 59 2HG2 VAL 59 -6.646 -6.737 -6.632 358 H SER 60 H SER 60 -4.647 -3.894 -4.370 359 HA SER 60 HA SER 60 -2.426 -2.323 -4.982 360 HB2 SER 60 2HB SER 60 -4.239 -2.075 -2.579 361 HB3 SER 60 1HB SER 60 -3.195 -0.814 -3.235 362 HG SER 60 HG SER 60 -5.382 -2.040 -4.613 363 H GLU 61 H GLU 61 -3.051 -4.255 -2.158 364 HA GLU 61 HA GLU 61 -0.600 -3.687 -0.876 365 HB2 GLU 61 2HB GLU 61 -0.996 -5.600 0.591 366 HB3 GLU 61 1HB GLU 61 -2.517 -4.757 0.344 367 HG2 GLU 61 2HG GLU 61 -3.170 -6.461 -1.280 368 HG3 GLU 61 1HG GLU 61 -1.637 -7.281 -1.030 369 H ALA 62 H ALA 62 -1.528 -5.931 -3.363 370 HA ALA 62 HA ALA 62 0.808 -7.493 -3.297 371 HB1 ALA 62 1HB ALA 62 -0.994 -7.047 -5.663 372 HB2 ALA 62 2HB ALA 62 -1.270 -8.239 -4.393 373 HB3 ALA 62 3HB ALA 62 0.143 -8.376 -5.439 374 H PHE 63 H PHE 63 0.081 -4.543 -5.188 375 HA PHE 63 HA PHE 63 2.672 -4.919 -6.376 376 HB2 PHE 63 2HB PHE 63 2.341 -2.660 -7.531 377 HB3 PHE 63 1HB PHE 63 1.251 -3.957 -7.985 378 HD1 PHE 63 1HD PHE 63 1.511 -1.037 -5.715 379 HD2 PHE 63 2HD PHE 63 -0.973 -3.589 -8.018 380 HE1 PHE 63 1HE PHE 63 -0.413 0.378 -5.206 381 HE2 PHE 63 2HE PHE 63 -2.898 -2.181 -7.513 382 HZ PHE 63 HZ PHE 63 -2.631 -0.246 -6.069 383 H ILE 64 H ILE 64 1.437 -3.088 -3.762 384 HA ILE 64 HA ILE 64 3.765 -1.525 -3.469 385 HB ILE 64 HB ILE 64 1.397 -1.228 -2.327 386 HG12 ILE 64 2HG1 ILE 64 3.348 0.295 -2.047 387 HG13 ILE 64 1HG1 ILE 64 2.267 0.247 -0.673 388 HG21 ILE 64 1HG2 ILE 64 1.359 -3.354 -1.149 389 HG22 ILE 64 2HG2 ILE 64 1.203 -1.993 -0.036 390 HG23 ILE 64 3HG2 ILE 64 2.739 -2.848 -0.176 391 HD11 ILE 64 3HD1 ILE 64 4.957 -1.102 -0.891 392 HD12 ILE 64 1HD1 ILE 64 3.886 -1.192 0.506 393 HD13 ILE 64 2HD1 ILE 64 4.590 0.351 0.037 394 H GLU 65 H GLU 65 2.876 -4.767 -2.448 395 HA GLU 65 HA GLU 65 5.196 -5.244 -0.928 396 HB2 GLU 65 2HB GLU 65 3.185 -6.672 -0.846 397 HB3 GLU 65 1HB GLU 65 3.502 -7.193 -2.496 398 HG2 GLU 65 2HG GLU 65 5.616 -8.130 -1.793 399 HG3 GLU 65 1HG GLU 65 5.294 -7.640 -0.134 400 H GLY 66 H GLY 66 4.438 -5.411 -4.332 401 HA2 GLY 66 2HA GLY 66 6.793 -6.680 -5.242 402 HA3 GLY 66 1HA GLY 66 5.725 -5.665 -6.203 403 H SER 67 H SER 67 5.981 -3.218 -4.797 404 HA SER 67 HA SER 67 8.437 -2.357 -5.864 405 HB2 SER 67 2HB SER 67 7.764 -0.163 -4.772 406 HB3 SER 67 1HB SER 67 6.602 -0.824 -5.922 407 HG SER 67 HG SER 67 6.103 -0.106 -3.518 408 H ARG 68 H ARG 68 7.288 -3.229 -2.689 409 HA ARG 68 HA ARG 68 9.640 -2.407 -1.388 410 HB2 ARG 68 2HB ARG 68 7.709 -4.565 -0.546 411 HB3 ARG 68 1HB ARG 68 9.046 -4.037 0.446 412 HG2 ARG 68 2HG ARG 68 8.010 -1.767 0.494 413 HG3 ARG 68 1HG ARG 68 6.629 -2.450 -0.369 414 HD2 ARG 68 2HD ARG 68 7.660 -3.332 2.329 415 HD3 ARG 68 1HD ARG 68 6.180 -2.425 2.027 416 HE ARG 68 HE ARG 68 5.610 -4.495 0.629 417 HH11 ARG 68 1HH1 ARG 68 7.362 -4.545 3.767 418 HH12 ARG 68 2HH1 ARG 68 6.769 -6.056 4.202 419 HH21 ARG 68 1HH2 ARG 68 4.809 -6.699 1.357 420 HH22 ARG 68 2HH2 ARG 68 5.354 -7.257 2.868 421 H GLY 69 H GLY 69 8.664 -5.384 -2.842 422 HA2 GLY 69 2HA GLY 69 10.924 -6.914 -2.245 423 HA3 GLY 69 1HA GLY 69 9.869 -7.125 -3.644 424 H TYR 70 H TYR 70 10.392 -4.320 -4.442 425 HA TYR 70 HA TYR 70 12.582 -4.916 -6.199 426 HB2 TYR 70 2HB TYR 70 10.739 -3.496 -7.006 427 HB3 TYR 70 1HB TYR 70 11.076 -2.313 -5.746 428 HD1 TYR 70 1HD TYR 70 12.366 -3.831 -8.854 429 HD2 TYR 70 2HD TYR 70 12.812 -0.678 -6.024 430 HE1 TYR 70 1HE TYR 70 13.954 -2.712 -10.347 431 HE2 TYR 70 2HE TYR 70 14.390 0.445 -7.517 432 HH TYR 70 HH TYR 70 15.977 -0.323 -9.300 433 H PHE 71 H PHE 71 11.991 -2.758 -3.515 434 HA PHE 71 HA PHE 71 14.539 -1.677 -3.361 435 HB2 PHE 71 2HB PHE 71 12.455 -2.035 -1.207 436 HB3 PHE 71 1HB PHE 71 13.951 -1.140 -0.958 437 HD1 PHE 71 1HD PHE 71 14.304 0.408 -3.331 438 HD2 PHE 71 2HD PHE 71 10.692 -0.543 -1.286 439 HE1 PHE 71 1HE PHE 71 13.262 2.428 -4.249 440 HE2 PHE 71 2HE PHE 71 9.645 1.479 -2.220 441 HZ PHE 71 HZ PHE 71 10.933 2.963 -3.697 442 H GLN 72 H GLN 72 13.170 -4.557 -1.961 443 HA GLN 72 HA GLN 72 15.324 -5.327 -0.354 444 HB2 GLN 72 2HB GLN 72 13.223 -6.976 -1.769 445 HB3 GLN 72 1HB GLN 72 14.328 -7.600 -0.551 446 HG2 GLN 72 2HG GLN 72 13.366 -6.213 1.147 447 HG3 GLN 72 1HG GLN 72 12.417 -5.331 -0.043 448 HE21 GLN 72 1HE2 GLN 72 12.764 -8.780 -0.169 449 HE22 GLN 72 2HE2 GLN 72 11.154 -9.176 0.275 450 H ARG 73 H ARG 73 14.675 -5.822 -3.805 451 HA ARG 73 HA ARG 73 16.976 -7.504 -4.221 452 HB2 ARG 73 2HB ARG 73 15.708 -5.840 -6.403 453 HB3 ARG 73 1HB ARG 73 16.626 -7.317 -6.580 454 HG2 ARG 73 2HG ARG 73 13.795 -6.953 -5.671 455 HG3 ARG 73 1HG ARG 73 14.404 -7.890 -7.026 456 HD2 ARG 73 2HD ARG 73 14.754 -8.513 -4.101 457 HD3 ARG 73 1HD ARG 73 13.625 -9.302 -5.187 458 HE ARG 73 HE ARG 73 16.254 -9.554 -6.182 459 HH11 ARG 73 1HH1 ARG 73 14.114 -10.838 -3.656 460 HH12 ARG 73 2HH1 ARG 73 14.938 -12.308 -3.479 461 HH21 ARG 73 1HH2 ARG 73 17.382 -11.629 -5.958 462 HH22 ARG 73 2HH2 ARG 73 16.832 -12.757 -4.811 463 H GLU 74 H GLU 74 16.389 -4.078 -4.491 464 HA GLU 74 HA GLU 74 18.916 -3.446 -5.592 465 HB2 GLU 74 2HB GLU 74 17.020 -1.689 -4.022 466 HB3 GLU 74 1HB GLU 74 18.385 -1.111 -4.967 467 HG2 GLU 74 2HG GLU 74 16.043 -2.624 -6.108 468 HG3 GLU 74 1HG GLU 74 16.179 -0.873 -6.091 469 H LEU 75 H LEU 75 17.756 -3.881 -2.378 470 HA LEU 75 HA LEU 75 19.856 -2.885 -0.794 471 HB2 LEU 75 2HB LEU 75 17.516 -3.793 -0.192 472 HB3 LEU 75 1HB LEU 75 18.228 -5.377 -0.270 473 HG LEU 75 HG LEU 75 19.101 -3.236 1.693 474 HD11 LEU 75 1HD1 LEU 75 17.763 -4.438 3.325 475 HD12 LEU 75 2HD1 LEU 75 17.187 -5.528 2.064 476 HD13 LEU 75 3HD1 LEU 75 16.760 -3.817 2.015 477 HD21 LEU 75 3HD2 LEU 75 20.075 -5.082 2.936 478 HD22 LEU 75 1HD2 LEU 75 20.761 -5.009 1.318 479 HD23 LEU 75 2HD2 LEU 75 19.545 -6.233 1.703 480 H LYS 76 H LYS 76 19.634 -5.558 -2.859 481 HA LYS 76 HA LYS 76 21.821 -6.994 -1.626 482 HB2 LYS 76 2HB LYS 76 20.186 -7.664 -4.077 483 HB3 LYS 76 1HB LYS 76 21.380 -8.715 -3.323 484 HG2 LYS 76 2HG LYS 76 20.040 -8.862 -1.319 485 HG3 LYS 76 1HG LYS 76 18.891 -7.698 -1.973 486 HD2 LYS 76 2HD LYS 76 18.377 -9.267 -3.802 487 HD3 LYS 76 1HD LYS 76 19.490 -10.432 -3.091 488 HE2 LYS 76 2HE LYS 76 17.048 -9.311 -1.716 489 HE3 LYS 76 1HE LYS 76 17.122 -10.878 -2.516 490 HZ1 LYS 76 3HZ LYS 76 18.856 -11.527 -0.932 491 HZ2 LYS 76 1HZ LYS 76 17.430 -11.084 -0.143 492 HZ3 LYS 76 2HZ LYS 76 18.724 -10.030 -0.167 493 H ARG 77 H ARG 77 21.552 -4.450 -3.776 494 HA ARG 77 HA ARG 77 23.582 -5.125 -5.671 495 HB2 ARG 77 2HB ARG 77 22.649 -2.412 -4.727 496 HB3 ARG 77 1HB ARG 77 23.829 -2.651 -5.991 497 HG2 ARG 77 2HG ARG 77 22.091 -3.796 -7.325 498 HG3 ARG 77 1HG ARG 77 20.920 -3.406 -6.051 499 HD2 ARG 77 2HD ARG 77 21.448 -1.032 -6.294 500 HD3 ARG 77 1HD ARG 77 22.599 -1.400 -7.565 501 HE ARG 77 HE ARG 77 19.724 -1.981 -7.813 502 HH11 ARG 77 1HH1 ARG 77 22.718 -0.783 -9.280 503 HH12 ARG 77 2HH1 ARG 77 21.969 0.010 -10.571 504 HH21 ARG 77 1HH2 ARG 77 18.669 -0.866 -9.548 505 HH22 ARG 77 2HH2 ARG 77 19.575 -0.058 -10.768 506 H THR 78 H THR 78 23.582 -3.086 -2.748 507 HA THR 78 HA THR 78 25.109 -2.615 -1.215 508 HB THR 78 HB THR 78 26.969 -4.527 -2.627 509 HG1 THR 78 1HG THR 78 25.511 -5.955 -1.975 510 HG21 THR 78 3HG2 THR 78 26.903 -3.591 0.261 511 HG22 THR 78 1HG2 THR 78 28.122 -3.161 -0.936 512 HG23 THR 78 2HG2 THR 78 27.993 -4.826 -0.362 513 H ASP 79 H ASP 79 25.193 -1.881 -4.258 514 HA ASP 79 HA ASP 79 27.679 -0.534 -4.734 515 HB2 ASP 79 2HB ASP 79 24.977 -0.189 -6.033 516 HB3 ASP 79 1HB ASP 79 26.394 0.731 -6.521 517 H LEU 80 H LEU 80 24.789 0.357 -3.042 518 HA LEU 80 HA LEU 80 25.442 3.166 -3.002 519 HB2 LEU 80 2HB LEU 80 23.079 1.543 -2.259 520 HB3 LEU 80 1HB LEU 80 23.179 3.273 -1.966 521 HG LEU 80 HG LEU 80 23.528 3.448 -4.396 522 HD11 LEU 80 1HD1 LEU 80 23.865 1.098 -4.978 523 HD12 LEU 80 2HD1 LEU 80 22.404 1.650 -5.810 524 HD13 LEU 80 3HD1 LEU 80 22.276 0.678 -4.339 525 HD21 LEU 80 3HD2 LEU 80 21.126 3.517 -4.904 526 HD22 LEU 80 1HD2 LEU 80 21.485 4.194 -3.314 527 HD23 LEU 80 2HD2 LEU 80 20.805 2.556 -3.476 528 H ASP 81 H ASP 81 24.461 3.903 -0.881 529 HA ASP 81 HA ASP 81 26.338 2.894 1.171 530 HB2 ASP 81 2HB ASP 81 26.671 5.193 -0.031 531 HB3 ASP 81 1HB ASP 81 25.210 5.649 0.817 532 H LEU 82 H LEU 82 25.325 4.491 3.216 533 HA LEU 82 HA LEU 82 23.349 2.791 4.032 534 HB2 LEU 82 2HB LEU 82 22.965 4.295 5.992 535 HB3 LEU 82 1HB LEU 82 24.642 3.883 5.751 536 HG LEU 82 HG LEU 82 24.873 6.197 4.650 537 HD11 LEU 82 1HD1 LEU 82 23.293 7.904 5.372 538 HD12 LEU 82 2HD1 LEU 82 22.274 6.665 6.103 539 HD13 LEU 82 3HD1 LEU 82 22.506 6.695 4.355 540 HD21 LEU 82 3HD2 LEU 82 24.267 5.937 7.583 541 HD22 LEU 82 1HD2 LEU 82 25.126 7.282 6.829 542 HD23 LEU 82 2HD2 LEU 82 25.817 5.660 6.790 543 H LEU 83 H LEU 83 23.251 5.569 2.233 544 HA LEU 83 HA LEU 83 20.593 6.341 2.401 545 HB2 LEU 83 2HB LEU 83 22.434 6.340 0.011 546 HB3 LEU 83 1HB LEU 83 20.860 7.086 -0.008 547 HG LEU 83 HG LEU 83 22.370 8.844 0.259 548 HD11 LEU 83 1HD1 LEU 83 21.905 9.795 2.447 549 HD12 LEU 83 2HD1 LEU 83 21.339 8.219 2.993 550 HD13 LEU 83 3HD1 LEU 83 20.477 9.061 1.705 551 HD21 LEU 83 3HD2 LEU 83 23.745 7.307 2.464 552 HD22 LEU 83 1HD2 LEU 83 24.133 8.950 1.959 553 HD23 LEU 83 2HD2 LEU 83 24.378 7.610 0.843 554 H GLU 84 H GLU 84 21.992 3.619 0.634 555 HA GLU 84 HA GLU 84 19.468 3.120 -0.555 556 HB2 GLU 84 2HB GLU 84 20.256 0.900 -1.242 557 HB3 GLU 84 1HB GLU 84 21.416 2.149 -1.653 558 HG2 GLU 84 2HG GLU 84 22.931 1.376 -0.016 559 HG3 GLU 84 1HG GLU 84 21.691 0.453 0.806 560 H LYS 85 H LYS 85 21.243 1.760 2.002 561 HA LYS 85 HA LYS 85 19.385 -0.176 2.854 562 HB2 LYS 85 2HB LYS 85 21.748 1.045 4.107 563 HB3 LYS 85 1HB LYS 85 20.552 0.434 5.235 564 HG2 LYS 85 2HG LYS 85 22.251 -1.230 4.768 565 HG3 LYS 85 1HG LYS 85 20.665 -1.753 4.208 566 HD2 LYS 85 2HD LYS 85 21.272 -1.037 1.943 567 HD3 LYS 85 1HD LYS 85 22.908 -0.652 2.517 568 HE2 LYS 85 2HE LYS 85 23.115 -2.969 3.253 569 HE3 LYS 85 1HE LYS 85 21.501 -3.276 2.601 570 HZ1 LYS 85 3HZ LYS 85 23.063 -3.992 0.928 571 HZ2 LYS 85 1HZ LYS 85 23.930 -2.538 1.057 572 HZ3 LYS 85 2HZ LYS 85 22.399 -2.537 0.393 573 H PHE 86 H PHE 86 19.721 3.129 3.834 574 HA PHE 86 HA PHE 86 17.821 2.807 5.761 575 HB2 PHE 86 2HB PHE 86 19.319 4.648 6.073 576 HB3 PHE 86 1HB PHE 86 18.808 5.397 4.562 577 HD1 PHE 86 2HD PHE 86 17.481 4.366 7.888 578 HD2 PHE 86 1HD PHE 86 17.150 7.045 4.597 579 HE1 PHE 86 2HE PHE 86 15.754 5.629 9.097 580 HE2 PHE 86 1HE PHE 86 15.414 8.308 5.796 581 HZ PHE 86 HZ PHE 86 14.714 7.600 8.049 582 H ASN 87 H ASN 87 17.619 3.480 2.457 583 HA ASN 87 HA ASN 87 15.062 4.768 2.403 584 HB2 ASN 87 2HB ASN 87 16.854 5.097 0.645 585 HB3 ASN 87 1HB ASN 87 16.542 3.451 0.111 586 HD21 ASN 87 1HD2 ASN 87 15.865 4.103 -1.932 587 HD22 ASN 87 2HD2 ASN 87 14.362 4.922 -2.194 588 H PHE 88 H PHE 88 16.409 1.563 1.998 589 HA PHE 88 HA PHE 88 13.918 0.480 1.072 590 HB2 PHE 88 2HB PHE 88 16.172 -1.169 2.177 591 HB3 PHE 88 1HB PHE 88 14.922 -1.663 1.046 592 HD1 PHE 88 2HD PHE 88 15.038 0.650 -0.853 593 HD2 PHE 88 1HD PHE 88 18.059 -1.616 1.058 594 HE1 PHE 88 2HE PHE 88 16.602 1.245 -2.637 595 HE2 PHE 88 1HE PHE 88 19.618 -1.007 -0.703 596 HZ PHE 88 HZ PHE 88 18.938 0.415 -2.493 597 H GLU 89 H GLU 89 15.734 0.500 4.113 598 HA GLU 89 HA GLU 89 13.759 -1.074 5.351 599 HB2 GLU 89 2HB GLU 89 14.745 -0.458 7.505 600 HB3 GLU 89 1HB GLU 89 15.989 -0.956 6.379 601 HG2 GLU 89 2HG GLU 89 16.660 1.293 6.043 602 HG3 GLU 89 1HG GLU 89 15.315 1.906 7.012 603 H ALA 90 H ALA 90 14.154 2.323 4.662 604 HA ALA 90 HA ALA 90 12.079 3.053 6.487 605 HB1 ALA 90 1HB ALA 90 13.673 4.748 5.693 606 HB2 ALA 90 2HB ALA 90 12.007 5.243 5.379 607 HB3 ALA 90 3HB ALA 90 13.004 4.608 4.069 608 H ALA 91 H ALA 91 12.145 2.347 3.047 609 HA ALA 91 HA ALA 91 9.376 2.793 2.615 610 HB1 ALA 91 1HB ALA 91 11.298 1.120 1.004 611 HB2 ALA 91 2HB ALA 91 11.035 2.853 0.801 612 HB3 ALA 91 3HB ALA 91 9.729 1.718 0.466 613 H LEU 92 H LEU 92 11.237 -0.031 3.517 614 HA LEU 92 HA LEU 92 9.133 -1.874 3.240 615 HB2 LEU 92 2HB LEU 92 11.505 -1.912 5.107 616 HB3 LEU 92 1HB LEU 92 10.397 -3.250 4.945 617 HG LEU 92 HG LEU 92 12.219 -2.175 2.796 618 HD11 LEU 92 1HD1 LEU 92 12.312 -4.734 4.381 619 HD12 LEU 92 2HD1 LEU 92 13.416 -3.365 4.531 620 HD13 LEU 92 3HD1 LEU 92 13.380 -4.309 3.041 621 HD21 LEU 92 3HD2 LEU 92 10.320 -4.516 2.756 622 HD22 LEU 92 1HD2 LEU 92 11.503 -4.131 1.503 623 HD23 LEU 92 2HD2 LEU 92 10.178 -3.019 1.828 624 H ALA 93 H ALA 93 10.034 0.273 5.825 625 HA ALA 93 HA ALA 93 8.095 -0.793 7.631 626 HB1 ALA 93 1HB ALA 93 10.092 0.396 8.459 627 HB2 ALA 93 2HB ALA 93 8.601 1.137 9.040 628 HB3 ALA 93 3HB ALA 93 9.498 1.878 7.716 629 H THR 94 H THR 94 8.238 1.913 5.429 630 HA THR 94 HA THR 94 5.818 3.012 6.200 631 HB THR 94 HB THR 94 7.203 3.189 3.510 632 HG1 THR 94 1HG THR 94 8.558 3.939 5.157 633 HG21 THR 94 3HG2 THR 94 5.997 5.330 3.268 634 HG22 THR 94 1HG2 THR 94 5.169 5.034 4.797 635 HG23 THR 94 2HG2 THR 94 4.869 3.983 3.411 636 H GLY 95 H GLY 95 6.737 0.731 3.685 637 HA2 GLY 95 2HA GLY 95 4.203 0.471 2.506 638 HA3 GLY 95 1HA GLY 95 5.584 -0.581 2.277 639 H ASP 96 H ASP 96 5.892 -1.406 5.002 640 HA ASP 96 HA ASP 96 3.953 -3.480 5.015 641 HB2 ASP 96 2HB ASP 96 6.221 -3.856 5.869 642 HB3 ASP 96 1HB ASP 96 5.951 -2.676 7.141 643 H LEU 97 H LEU 97 4.401 -0.561 6.918 644 HA LEU 97 HA LEU 97 2.236 -1.082 8.656 645 HB2 LEU 97 2HB LEU 97 3.548 1.531 7.952 646 HB3 LEU 97 1HB LEU 97 2.320 1.359 9.190 647 HG LEU 97 HG LEU 97 5.058 0.097 9.197 648 HD11 LEU 97 1HD1 LEU 97 5.093 2.474 9.681 649 HD12 LEU 97 2HD1 LEU 97 5.455 1.532 11.126 650 HD13 LEU 97 3HD1 LEU 97 3.859 2.256 10.923 651 HD21 LEU 97 3HD2 LEU 97 3.453 -1.410 10.203 652 HD22 LEU 97 1HD2 LEU 97 2.811 -0.107 11.202 653 HD23 LEU 97 2HD2 LEU 97 4.459 -0.685 11.457 654 H LEU 98 H LEU 98 2.375 0.771 5.631 655 HA LEU 98 HA LEU 98 -0.399 1.349 5.817 656 HB2 LEU 98 2HB LEU 98 -0.290 2.189 3.552 657 HB3 LEU 98 1HB LEU 98 1.099 2.755 4.452 658 HG LEU 98 HG LEU 98 2.191 0.663 3.408 659 HD11 LEU 98 1HD1 LEU 98 1.494 0.239 1.097 660 HD12 LEU 98 2HD1 LEU 98 0.122 1.323 1.315 661 HD13 LEU 98 3HD1 LEU 98 0.226 -0.170 2.250 662 HD21 LEU 98 3HD2 LEU 98 3.035 2.101 1.536 663 HD22 LEU 98 1HD2 LEU 98 3.045 2.892 3.113 664 HD23 LEU 98 2HD2 LEU 98 1.780 3.270 1.946 665 H LEU 99 H LEU 99 1.411 -1.399 4.661 666 HA LEU 99 HA LEU 99 -0.642 -2.520 3.069 667 HB2 LEU 99 2HB LEU 99 1.862 -3.127 3.088 668 HB3 LEU 99 1HB LEU 99 1.538 -4.041 4.535 669 HG LEU 99 HG LEU 99 0.257 -4.635 1.857 670 HD11 LEU 99 1HD1 LEU 99 2.663 -4.870 1.680 671 HD12 LEU 99 2HD1 LEU 99 1.879 -6.449 1.656 672 HD13 LEU 99 3HD1 LEU 99 2.685 -5.888 3.121 673 HD21 LEU 99 3HD2 LEU 99 -0.205 -6.835 2.824 674 HD22 LEU 99 1HD2 LEU 99 -0.949 -5.563 3.793 675 HD23 LEU 99 2HD2 LEU 99 0.540 -6.336 4.343 676 H LYS 100 H LYS 100 0.381 -2.776 6.374 677 HA LYS 100 HA LYS 100 -1.573 -4.532 7.274 678 HB2 LYS 100 2HB LYS 100 -0.041 -2.338 8.647 679 HB3 LYS 100 1HB LYS 100 -1.170 -3.381 9.493 680 HG2 LYS 100 2HG LYS 100 0.170 -5.311 9.017 681 HG3 LYS 100 1HG LYS 100 1.233 -4.361 7.980 682 HD2 LYS 100 2HD LYS 100 2.193 -4.781 10.228 683 HD3 LYS 100 1HD LYS 100 2.012 -3.075 9.851 684 HE2 LYS 100 2HE LYS 100 1.334 -3.622 12.178 685 HE3 LYS 100 1HE LYS 100 0.031 -2.915 11.234 686 HZ1 LYS 100 3HZ LYS 100 -0.899 -5.132 10.935 687 HZ2 LYS 100 1HZ LYS 100 -0.714 -4.786 12.567 688 HZ3 LYS 100 2HZ LYS 100 0.373 -5.817 11.796 689 H ASP 101 H ASP 101 -1.485 -1.100 6.598 690 HA ASP 101 HA ASP 101 -3.871 -0.585 8.004 691 HB2 ASP 101 2HB ASP 101 -2.107 1.151 7.564 692 HB3 ASP 101 1HB ASP 101 -2.633 1.187 5.888 693 H LEU 102 H LEU 102 -3.118 -1.276 4.629 694 HA LEU 102 HA LEU 102 -5.703 -1.035 3.515 695 HB2 LEU 102 2HB LEU 102 -3.487 -2.976 2.829 696 HB3 LEU 102 1HB LEU 102 -5.046 -3.131 2.080 697 HG LEU 102 HG LEU 102 -3.753 -2.103 0.491 698 HD11 LEU 102 1HD1 LEU 102 -4.542 0.065 0.081 699 HD12 LEU 102 2HD1 LEU 102 -5.051 0.250 1.758 700 HD13 LEU 102 3HD1 LEU 102 -5.845 -0.942 0.723 701 HD21 LEU 102 3HD2 LEU 102 -2.312 -0.134 0.849 702 HD22 LEU 102 1HD2 LEU 102 -1.786 -1.588 1.696 703 HD23 LEU 102 2HD2 LEU 102 -2.600 -0.302 2.584 704 H LYS 103 H LYS 103 -4.216 -3.708 5.208 705 HA LYS 103 HA LYS 103 -6.405 -5.490 4.979 706 HB2 LYS 103 2HB LYS 103 -4.192 -5.482 7.030 707 HB3 LYS 103 1HB LYS 103 -5.260 -6.829 6.658 708 HG2 LYS 103 2HG LYS 103 -4.358 -6.965 4.415 709 HG3 LYS 103 1HG LYS 103 -3.336 -5.563 4.721 710 HD2 LYS 103 2HD LYS 103 -1.990 -7.534 4.942 711 HD3 LYS 103 1HD LYS 103 -2.233 -6.849 6.543 712 HE2 LYS 103 2HE LYS 103 -3.944 -8.485 7.038 713 HE3 LYS 103 1HE LYS 103 -3.840 -9.132 5.403 714 HZ1 LYS 103 3HZ LYS 103 -2.633 -10.488 6.950 715 HZ2 LYS 103 1HZ LYS 103 -1.671 -9.187 7.430 716 HZ3 LYS 103 2HZ LYS 103 -1.571 -9.795 5.856 717 H ALA 104 H ALA 104 -5.432 -3.214 7.489 718 HA ALA 104 HA ALA 104 -7.383 -4.026 9.366 719 HB1 ALA 104 1HB ALA 104 -6.740 -2.017 10.577 720 HB2 ALA 104 2HB ALA 104 -5.857 -1.446 9.159 721 HB3 ALA 104 3HB ALA 104 -5.315 -2.894 10.008 722 H LEU 105 H LEU 105 -7.205 -1.498 6.908 723 HA LEU 105 HA LEU 105 -9.626 -0.380 7.741 724 HB2 LEU 105 2HB LEU 105 -9.493 1.145 5.967 725 HB3 LEU 105 1HB LEU 105 -7.818 0.778 6.285 726 HG LEU 105 HG LEU 105 -8.340 -1.015 4.347 727 HD11 LEU 105 1HD1 LEU 105 -10.118 1.306 3.696 728 HD12 LEU 105 2HD1 LEU 105 -10.595 -0.368 3.992 729 HD13 LEU 105 3HD1 LEU 105 -9.634 0.034 2.571 730 HD21 LEU 105 3HD2 LEU 105 -6.492 0.628 4.402 731 HD22 LEU 105 1HD2 LEU 105 -7.609 1.871 3.859 732 HD23 LEU 105 2HD2 LEU 105 -7.225 0.513 2.799 733 H GLN 106 H GLN 106 -8.658 -2.874 5.497 734 HA GLN 106 HA GLN 106 -11.119 -3.305 4.264 735 HB2 GLN 106 2HB GLN 106 -9.082 -4.345 3.414 736 HB3 GLN 106 1HB GLN 106 -8.919 -5.269 4.896 737 HG2 GLN 106 2HG GLN 106 -10.911 -6.503 4.416 738 HG3 GLN 106 1HG GLN 106 -11.221 -5.519 2.992 739 HE21 GLN 106 1HE2 GLN 106 -8.048 -6.629 3.868 740 HE22 GLN 106 2HE2 GLN 106 -7.866 -7.750 2.571 741 H LYS 107 H LYS 107 -9.940 -4.467 7.357 742 HA LYS 107 HA LYS 107 -12.227 -6.127 7.788 743 HB2 LYS 107 2HB LYS 107 -10.435 -4.805 9.856 744 HB3 LYS 107 1HB LYS 107 -11.579 -6.093 10.179 745 HG2 LYS 107 2HG LYS 107 -9.137 -6.332 8.421 746 HG3 LYS 107 1HG LYS 107 -9.259 -6.886 10.088 747 HD2 LYS 107 2HD LYS 107 -11.047 -8.448 9.427 748 HD3 LYS 107 1HD LYS 107 -10.904 -7.891 7.758 749 HE2 LYS 107 2HE LYS 107 -8.596 -8.670 7.675 750 HE3 LYS 107 1HE LYS 107 -8.698 -9.178 9.358 751 HZ1 LYS 107 3HZ LYS 107 -10.274 -10.303 7.105 752 HZ2 LYS 107 1HZ LYS 107 -10.388 -10.805 8.709 753 HZ3 LYS 107 2HZ LYS 107 -8.969 -11.036 7.831 754 H ARG 108 H ARG 108 -11.515 -2.766 8.407 755 HA ARG 108 HA ARG 108 -13.912 -2.148 9.805 756 HB2 ARG 108 2HB ARG 108 -12.057 -0.429 8.172 757 HB3 ARG 108 1HB ARG 108 -13.380 0.190 9.141 758 HG2 ARG 108 2HG ARG 108 -12.304 -0.671 11.162 759 HG3 ARG 108 1HG ARG 108 -10.982 -1.303 10.175 760 HD2 ARG 108 2HD ARG 108 -10.501 0.911 11.239 761 HD3 ARG 108 1HD ARG 108 -10.345 0.893 9.481 762 HE ARG 108 HE ARG 108 -12.959 1.652 10.280 763 HH11 ARG 108 1HH1 ARG 108 -9.694 2.993 10.102 764 HH12 ARG 108 2HH1 ARG 108 -10.218 4.572 9.771 765 HH21 ARG 108 1HH2 ARG 108 -13.665 3.782 9.788 766 HH22 ARG 108 2HH2 ARG 108 -12.531 5.029 9.553 767 H VAL 109 H VAL 109 -12.943 -2.045 6.429 768 HA VAL 109 HA VAL 109 -15.333 -0.981 5.595 769 HB VAL 109 HB VAL 109 -13.049 -2.280 4.048 770 HG11 VAL 109 1HG1 VAL 109 -14.050 -1.258 2.068 771 HG12 VAL 109 2HG1 VAL 109 -15.526 -0.958 3.002 772 HG13 VAL 109 3HG1 VAL 109 -14.952 -2.611 2.726 773 HG21 VAL 109 3HG2 VAL 109 -12.629 0.015 3.397 774 HG22 VAL 109 1HG2 VAL 109 -12.568 -0.190 5.149 775 HG23 VAL 109 2HG2 VAL 109 -13.981 0.546 4.398 776 H GLN 110 H GLN 110 -14.175 -4.272 5.900 777 HA GLN 110 HA GLN 110 -16.356 -5.665 4.853 778 HB2 GLN 110 2HB GLN 110 -14.292 -6.298 6.908 779 HB3 GLN 110 1HB GLN 110 -15.652 -7.386 6.709 780 HG2 GLN 110 2HG GLN 110 -13.784 -6.584 4.493 781 HG3 GLN 110 1HG GLN 110 -13.584 -8.031 5.476 782 HE21 GLN 110 1HE2 GLN 110 -16.475 -8.585 5.611 783 HE22 GLN 110 2HE2 GLN 110 -16.912 -9.153 4.053 784 H ASP 111 H ASP 111 -15.697 -4.194 7.924 785 HA ASP 111 HA ASP 111 -17.821 -5.254 9.354 786 HB2 ASP 111 2HB ASP 111 -15.904 -4.278 10.486 787 HB3 ASP 111 1HB ASP 111 -16.281 -2.698 9.821 788 H SER 112 H SER 112 -17.432 -2.441 7.403 789 HA SER 112 HA SER 112 -19.820 -1.095 7.940 790 HB2 SER 112 2HB SER 112 -17.802 -0.120 6.793 791 HB3 SER 112 1HB SER 112 -18.230 -1.039 5.353 792 HG SER 112 HG SER 112 -19.490 0.570 4.858 793 H GLU 113 H GLU 113 -19.172 -3.913 6.013 794 HA GLU 113 HA GLU 113 -20.463 -5.449 5.047 795 HB2 GLU 113 2HB GLU 113 -22.814 -3.846 6.069 796 HB3 GLU 113 1HB GLU 113 -22.924 -5.439 5.328 797 HG2 GLU 113 2HG GLU 113 -21.605 -6.369 7.144 798 HG3 GLU 113 1HG GLU 113 -21.480 -4.771 7.878 Start of MODEL 9 1 H1 ASN 18 1HT ASN 18 11.087 10.761 4.398 2 H2 ASN 18 2HT ASN 18 11.179 12.265 5.108 3 H3 ASN 18 3HT ASN 18 12.323 11.828 3.957 4 HA ASN 18 HA ASN 18 9.432 12.181 3.537 5 HB2 ASN 18 2HB ASN 18 10.080 14.157 2.126 6 HB3 ASN 18 1HB ASN 18 10.391 14.360 3.840 7 HD21 ASN 18 1HD2 ASN 18 11.890 16.014 3.365 8 HD22 ASN 18 2HD2 ASN 18 13.460 15.641 2.750 9 H THR 19 H THR 19 12.356 10.738 2.204 10 HA THR 19 HA THR 19 11.447 10.918 -0.466 11 HB THR 19 HB THR 19 13.869 10.651 0.026 12 HG1 THR 19 1HG THR 19 13.846 9.971 -1.930 13 HG21 THR 19 3HG2 THR 19 13.689 8.975 1.874 14 HG22 THR 19 1HG2 THR 19 14.807 8.459 0.607 15 HG23 THR 19 2HG2 THR 19 13.188 7.778 0.689 16 H ALA 20 H ALA 20 11.211 8.363 1.944 17 HA ALA 20 HA ALA 20 10.177 6.425 0.188 18 HB1 ALA 20 1HB ALA 20 9.629 5.184 2.182 19 HB2 ALA 20 2HB ALA 20 9.958 6.612 3.159 20 HB3 ALA 20 3HB ALA 20 11.264 5.840 2.257 21 H THR 21 H THR 21 8.708 8.784 2.363 22 HA THR 21 HA THR 21 6.099 7.839 2.006 23 HB THR 21 HB THR 21 5.641 10.217 2.835 24 HG1 THR 21 1HG THR 21 7.347 11.365 3.321 25 HG21 THR 21 3HG2 THR 21 6.185 9.518 5.149 26 HG22 THR 21 1HG2 THR 21 7.197 8.228 4.502 27 HG23 THR 21 2HG2 THR 21 5.458 8.207 4.221 28 H GLN 22 H GLN 22 8.109 10.203 0.366 29 HA GLN 22 HA GLN 22 6.063 11.288 -1.245 30 HB2 GLN 22 2HB GLN 22 8.243 12.395 -0.885 31 HB3 GLN 22 1HB GLN 22 9.036 11.122 -1.794 32 HG2 GLN 22 2HG GLN 22 8.758 13.127 -3.143 33 HG3 GLN 22 1HG GLN 22 7.823 11.782 -3.798 34 HE21 GLN 22 1HE2 GLN 22 5.607 11.858 -3.711 35 HE22 GLN 22 2HE2 GLN 22 4.728 13.296 -3.354 36 H ARG 23 H ARG 23 8.276 8.561 -1.660 37 HA ARG 23 HA ARG 23 7.370 8.048 -4.339 38 HB2 ARG 23 2HB ARG 23 8.822 6.098 -4.341 39 HB3 ARG 23 1HB ARG 23 9.683 7.453 -3.637 40 HG2 ARG 23 2HG ARG 23 9.120 6.536 -1.387 41 HG3 ARG 23 1HG ARG 23 8.454 5.125 -2.197 42 HD2 ARG 23 2HD ARG 23 11.324 6.052 -2.421 43 HD3 ARG 23 1HD ARG 23 10.752 4.720 -1.426 44 HE ARG 23 HE ARG 23 9.890 4.260 -4.016 45 HH11 ARG 23 1HH1 ARG 23 13.022 4.332 -2.254 46 HH12 ARG 23 2HH1 ARG 23 13.763 3.272 -3.345 47 HH21 ARG 23 1HH2 ARG 23 10.938 2.811 -5.442 48 HH22 ARG 23 2HH2 ARG 23 12.570 2.371 -5.181 49 H PHE 24 H PHE 24 6.191 7.220 -1.216 50 HA PHE 24 HA PHE 24 4.482 5.221 -2.491 51 HB2 PHE 24 2HB PHE 24 5.341 5.475 0.400 52 HB3 PHE 24 1HB PHE 24 3.950 4.508 -0.061 53 HD1 PHE 24 1HD PHE 24 6.095 4.107 -2.743 54 HD2 PHE 24 2HD PHE 24 5.810 2.976 1.380 55 HE1 PHE 24 1HE PHE 24 7.536 2.179 -3.153 56 HE2 PHE 24 2HE PHE 24 7.246 1.077 0.937 57 HZ PHE 24 HZ PHE 24 8.116 0.664 -1.326 58 H HIS 25 H HIS 25 4.336 8.238 -2.234 59 HA HIS 25 HA HIS 25 2.023 8.747 -0.645 60 HB2 HIS 25 2HB HIS 25 3.707 10.511 -1.217 61 HB3 HIS 25 1HB HIS 25 3.123 10.473 -2.878 62 HD1 HIS 25 1HD HIS 25 1.473 12.256 -3.354 63 HD2 HIS 25 2HD HIS 25 1.399 11.113 0.634 64 HE1 HIS 25 1HE HIS 25 -0.235 13.719 -2.267 65 HE2 HIS 25 2HE HIS 25 -0.037 13.183 0.190 66 H GLU 26 H GLU 26 2.566 7.813 -3.920 67 HA GLU 26 HA GLU 26 0.038 8.259 -5.026 68 HB2 GLU 26 2HB GLU 26 2.003 7.612 -6.320 69 HB3 GLU 26 1HB GLU 26 2.054 6.064 -5.504 70 HG2 GLU 26 2HG GLU 26 0.020 5.381 -6.558 71 HG3 GLU 26 1HG GLU 26 -0.194 6.979 -7.280 72 H ILE 27 H ILE 27 1.351 5.632 -3.117 73 HA ILE 27 HA ILE 27 -0.944 3.987 -3.269 74 HB ILE 27 HB ILE 27 1.356 3.875 -1.271 75 HG12 ILE 27 2HG1 ILE 27 1.885 1.735 -2.705 76 HG13 ILE 27 1HG1 ILE 27 0.860 2.513 -3.896 77 HG21 ILE 27 1HG2 ILE 27 0.615 1.586 -0.784 78 HG22 ILE 27 2HG2 ILE 27 -0.796 1.833 -1.813 79 HG23 ILE 27 3HG2 ILE 27 -0.602 2.785 -0.341 80 HD11 ILE 27 3HD1 ILE 27 2.383 4.418 -3.975 81 HD12 ILE 27 1HD1 ILE 27 3.192 2.895 -4.358 82 HD13 ILE 27 2HD1 ILE 27 3.398 3.616 -2.768 83 H GLU 28 H GLU 28 0.168 6.469 -1.084 84 HA GLU 28 HA GLU 28 -1.772 6.149 0.906 85 HB2 GLU 28 2HB GLU 28 0.208 7.662 1.087 86 HB3 GLU 28 1HB GLU 28 -0.579 8.765 -0.035 87 HG2 GLU 28 2HG GLU 28 -2.444 9.000 1.557 88 HG3 GLU 28 1HG GLU 28 -1.568 7.980 2.693 89 H LYS 29 H LYS 29 -1.890 7.814 -2.192 90 HA LYS 29 HA LYS 29 -4.477 8.890 -1.852 91 HB2 LYS 29 2HB LYS 29 -2.909 8.282 -4.334 92 HB3 LYS 29 1HB LYS 29 -4.578 8.822 -4.430 93 HG2 LYS 29 2HG LYS 29 -3.891 10.837 -3.106 94 HG3 LYS 29 1HG LYS 29 -2.218 10.309 -3.311 95 HD2 LYS 29 2HD LYS 29 -2.390 10.451 -5.689 96 HD3 LYS 29 1HD LYS 29 -4.125 10.744 -5.598 97 HE2 LYS 29 2HE LYS 29 -3.688 12.860 -4.440 98 HE3 LYS 29 1HE LYS 29 -1.958 12.583 -4.583 99 HZ1 LYS 29 3HZ LYS 29 -2.186 12.638 -6.991 100 HZ2 LYS 29 1HZ LYS 29 -2.784 14.048 -6.292 101 HZ3 LYS 29 2HZ LYS 29 -3.857 12.871 -6.847 102 H PHE 30 H PHE 30 -3.354 5.813 -3.090 103 HA PHE 30 HA PHE 30 -5.863 4.810 -3.834 104 HB2 PHE 30 2HB PHE 30 -3.358 3.473 -2.928 105 HB3 PHE 30 1HB PHE 30 -4.826 2.536 -3.188 106 HD1 PHE 30 1HD PHE 30 -2.278 4.638 -4.844 107 HD2 PHE 30 2HD PHE 30 -5.605 2.051 -5.373 108 HE1 PHE 30 1HE PHE 30 -1.788 4.500 -7.250 109 HE2 PHE 30 2HE PHE 30 -5.123 1.911 -7.773 110 HZ PHE 30 HZ PHE 30 -3.213 3.140 -8.715 111 H LEU 31 H LEU 31 -4.231 4.793 -0.721 112 HA LEU 31 HA LEU 31 -6.022 3.190 0.740 113 HB2 LEU 31 2HB LEU 31 -4.585 5.648 1.765 114 HB3 LEU 31 1HB LEU 31 -5.239 4.360 2.742 115 HG LEU 31 HG LEU 31 -2.902 4.080 0.848 116 HD11 LEU 31 1HD1 LEU 31 -2.974 4.251 3.859 117 HD12 LEU 31 2HD1 LEU 31 -2.427 5.531 2.783 118 HD13 LEU 31 3HD1 LEU 31 -1.540 4.008 2.862 119 HD21 LEU 31 3HD2 LEU 31 -2.567 1.948 1.967 120 HD22 LEU 31 1HD2 LEU 31 -4.141 2.010 1.178 121 HD23 LEU 31 2HD2 LEU 31 -4.023 2.214 2.927 122 H LEU 32 H LEU 32 -6.016 6.687 0.231 123 HA LEU 32 HA LEU 32 -8.391 7.000 1.693 124 HB2 LEU 32 2HB LEU 32 -8.407 9.363 0.989 125 HB3 LEU 32 1HB LEU 32 -6.855 8.870 1.612 126 HG LEU 32 HG LEU 32 -6.240 8.597 -0.909 127 HD11 LEU 32 1HD1 LEU 32 -7.333 10.219 -2.377 128 HD12 LEU 32 2HD1 LEU 32 -8.521 10.552 -1.119 129 HD13 LEU 32 3HD1 LEU 32 -8.433 8.947 -1.850 130 HD21 LEU 32 3HD2 LEU 32 -5.481 10.934 -0.971 131 HD22 LEU 32 1HD2 LEU 32 -5.168 10.167 0.586 132 HD23 LEU 32 2HD2 LEU 32 -6.514 11.291 0.410 133 H HIS 33 H HIS 33 -7.689 6.506 -1.631 134 HA HIS 33 HA HIS 33 -10.244 7.079 -2.636 135 HB2 HIS 33 2HB HIS 33 -8.223 6.848 -4.087 136 HB3 HIS 33 1HB HIS 33 -8.231 5.117 -3.764 137 HD1 HIS 33 1HD HIS 33 -9.328 3.788 -5.620 138 HD2 HIS 33 2HD HIS 33 -10.886 7.641 -5.277 139 HE1 HIS 33 1HE HIS 33 -11.071 3.967 -7.346 140 HE2 HIS 33 2HE HIS 33 -12.236 6.110 -6.814 141 H ILE 34 H ILE 34 -8.814 4.081 -1.278 142 HA ILE 34 HA ILE 34 -10.937 2.404 -1.931 143 HB ILE 34 HB ILE 34 -8.994 2.284 0.398 144 HG12 ILE 34 2HG1 ILE 34 -7.831 2.268 -1.724 145 HG13 ILE 34 1HG1 ILE 34 -7.742 0.677 -0.985 146 HG21 ILE 34 1HG2 ILE 34 -10.724 0.122 -0.754 147 HG22 ILE 34 2HG2 ILE 34 -10.904 0.866 0.841 148 HG23 ILE 34 3HG2 ILE 34 -9.475 -0.106 0.465 149 HD11 ILE 34 3HD1 ILE 34 -9.547 -0.072 -2.479 150 HD12 ILE 34 1HD1 ILE 34 -8.113 0.483 -3.341 151 HD13 ILE 34 2HD1 ILE 34 -9.534 1.520 -3.246 152 H THR 35 H THR 35 -10.284 4.356 0.990 153 HA THR 35 HA THR 35 -12.556 3.647 2.477 154 HB THR 35 HB THR 35 -11.358 6.389 2.374 155 HG1 THR 35 1HG THR 35 -10.279 3.957 3.361 156 HG21 THR 35 3HG2 THR 35 -13.295 6.127 3.837 157 HG22 THR 35 1HG2 THR 35 -11.836 6.394 4.795 158 HG23 THR 35 2HG2 THR 35 -12.511 4.770 4.654 159 H HIS 36 H HIS 36 -12.003 6.136 0.052 160 HA HIS 36 HA HIS 36 -14.425 7.524 0.155 161 HB2 HIS 36 2HB HIS 36 -12.511 8.419 -1.016 162 HB3 HIS 36 1HB HIS 36 -12.498 7.058 -2.124 163 HD1 HIS 36 1HD HIS 36 -13.992 7.205 -4.204 164 HD2 HIS 36 2HD HIS 36 -14.625 10.283 -1.457 165 HE1 HIS 36 1HE HIS 36 -15.392 8.878 -5.376 166 HE2 HIS 36 2HE HIS 36 -15.687 10.771 -3.764 167 H GLU 37 H GLU 37 -13.485 4.762 -1.861 168 HA GLU 37 HA GLU 37 -15.910 4.605 -3.263 169 HB2 GLU 37 2HB GLU 37 -14.053 2.303 -2.652 170 HB3 GLU 37 1HB GLU 37 -15.226 2.390 -3.955 171 HG2 GLU 37 2HG GLU 37 -12.690 3.979 -3.674 172 HG3 GLU 37 1HG GLU 37 -13.029 2.709 -4.838 173 H VAL 38 H VAL 38 -14.887 3.400 -0.136 174 HA VAL 38 HA VAL 38 -16.970 1.530 0.227 175 HB VAL 38 HB VAL 38 -15.443 3.068 2.368 176 HG11 VAL 38 1HG1 VAL 38 -16.087 1.193 3.844 177 HG12 VAL 38 2HG1 VAL 38 -16.974 0.476 2.500 178 HG13 VAL 38 3HG1 VAL 38 -17.515 2.007 3.185 179 HG21 VAL 38 3HG2 VAL 38 -14.012 1.114 2.565 180 HG22 VAL 38 1HG2 VAL 38 -13.927 1.795 0.944 181 HG23 VAL 38 2HG2 VAL 38 -14.873 0.333 1.238 182 H ASP 39 H ASP 39 -16.517 4.872 1.194 183 HA ASP 39 HA ASP 39 -18.960 5.014 2.519 184 HB2 ASP 39 2HB ASP 39 -17.064 6.611 2.847 185 HB3 ASP 39 1HB ASP 39 -17.463 7.341 1.298 186 H ASP 40 H ASP 40 -17.942 5.688 -0.758 187 HA ASP 40 HA ASP 40 -20.264 6.891 -1.690 188 HB2 ASP 40 2HB ASP 40 -18.248 7.080 -2.981 189 HB3 ASP 40 1HB ASP 40 -18.159 5.334 -3.178 190 H LEU 41 H LEU 41 -19.262 3.497 -1.659 191 HA LEU 41 HA LEU 41 -21.585 2.705 -3.040 192 HB2 LEU 41 2HB LEU 41 -20.990 0.437 -2.503 193 HB3 LEU 41 1HB LEU 41 -19.611 1.322 -3.095 194 HG LEU 41 HG LEU 41 -19.051 1.596 -0.562 195 HD11 LEU 41 1HD1 LEU 41 -21.130 0.605 0.279 196 HD12 LEU 41 2HD1 LEU 41 -19.698 -0.251 0.820 197 HD13 LEU 41 3HD1 LEU 41 -20.690 -0.933 -0.471 198 HD21 LEU 41 3HD2 LEU 41 -17.733 0.471 -2.206 199 HD22 LEU 41 1HD2 LEU 41 -18.721 -0.976 -2.035 200 HD23 LEU 41 2HD2 LEU 41 -17.745 -0.402 -0.677 201 H GLU 42 H GLU 42 -20.792 3.164 0.304 202 HA GLU 42 HA GLU 42 -22.951 1.909 1.432 203 HB2 GLU 42 2HB GLU 42 -21.499 4.391 2.352 204 HB3 GLU 42 1HB GLU 42 -22.709 3.570 3.319 205 HG2 GLU 42 2HG GLU 42 -20.110 2.356 2.384 206 HG3 GLU 42 1HG GLU 42 -20.387 3.051 3.976 207 H LYS 43 H LYS 43 -22.740 5.015 -0.261 208 HA LYS 43 HA LYS 43 -25.556 5.342 0.415 209 HB2 LYS 43 2HB LYS 43 -25.433 7.743 -0.085 210 HB3 LYS 43 1HB LYS 43 -24.319 7.272 1.168 211 HG2 LYS 43 2HG LYS 43 -23.187 8.892 -0.115 212 HG3 LYS 43 1HG LYS 43 -22.502 7.358 -0.643 213 HD2 LYS 43 2HD LYS 43 -23.681 7.410 -2.678 214 HD3 LYS 43 1HD LYS 43 -24.800 8.637 -2.092 215 HE2 LYS 43 2HE LYS 43 -23.234 9.578 -3.697 216 HE3 LYS 43 1HE LYS 43 -23.003 10.297 -2.112 217 HZ1 LYS 43 3HZ LYS 43 -21.028 8.876 -1.834 218 HZ2 LYS 43 1HZ LYS 43 -20.955 9.845 -3.208 219 HZ3 LYS 43 2HZ LYS 43 -21.282 8.222 -3.389 220 H THR 44 H THR 44 -23.723 4.282 -2.038 221 HA THR 44 HA THR 44 -25.514 5.257 -4.102 222 HB THR 44 HB THR 44 -22.671 4.345 -4.092 223 HG1 THR 44 1HG THR 44 -22.208 6.359 -4.439 224 HG21 THR 44 3HG2 THR 44 -23.630 3.401 -6.037 225 HG22 THR 44 1HG2 THR 44 -22.572 4.758 -6.432 226 HG23 THR 44 2HG2 THR 44 -24.347 4.977 -6.500 227 H GLY 45 H GLY 45 -24.043 2.257 -2.887 228 HA2 GLY 45 2HA GLY 45 -26.169 0.706 -3.991 229 HA3 GLY 45 1HA GLY 45 -24.683 0.529 -4.913 230 H ASN 46 H ASN 46 -22.891 -0.327 -3.976 231 HA ASN 46 HA ASN 46 -21.578 -1.448 -2.344 232 HB2 ASN 46 2HB ASN 46 -22.325 -2.439 -0.374 233 HB3 ASN 46 1HB ASN 46 -23.619 -1.272 -0.600 234 HD21 ASN 46 1HD2 ASN 46 -22.756 -4.615 -0.507 235 HD22 ASN 46 2HD2 ASN 46 -24.330 -5.277 -0.616 236 H LYS 47 H LYS 47 -23.426 -2.258 -4.772 237 HA LYS 47 HA LYS 47 -23.754 -5.043 -4.407 238 HB2 LYS 47 2HB LYS 47 -23.978 -3.492 -6.962 239 HB3 LYS 47 1HB LYS 47 -24.537 -5.145 -6.736 240 HG2 LYS 47 2HG LYS 47 -25.585 -2.653 -5.387 241 HG3 LYS 47 1HG LYS 47 -26.415 -3.636 -6.586 242 HD2 LYS 47 2HD LYS 47 -25.642 -4.548 -3.800 243 HD3 LYS 47 1HD LYS 47 -27.242 -4.027 -4.299 244 HE2 LYS 47 2HE LYS 47 -25.764 -6.388 -5.463 245 HE3 LYS 47 1HE LYS 47 -26.993 -6.496 -4.209 246 HZ1 LYS 47 3HZ LYS 47 -27.969 -6.946 -6.338 247 HZ2 LYS 47 1HZ LYS 47 -27.401 -5.503 -6.986 248 HZ3 LYS 47 2HZ LYS 47 -28.570 -5.497 -5.774 249 H ASP 48 H ASP 48 -21.377 -3.442 -6.493 250 HA ASP 48 HA ASP 48 -19.857 -5.960 -6.236 251 HB2 ASP 48 2HB ASP 48 -18.972 -5.811 -8.457 252 HB3 ASP 48 1HB ASP 48 -20.693 -5.505 -8.614 253 H GLU 49 H GLU 49 -20.027 -2.866 -5.517 254 HA GLU 49 HA GLU 49 -17.449 -1.724 -6.043 255 HB2 GLU 49 2HB GLU 49 -19.626 -0.922 -4.136 256 HB3 GLU 49 1HB GLU 49 -18.350 0.103 -4.788 257 HG2 GLU 49 2HG GLU 49 -19.336 0.269 -6.845 258 HG3 GLU 49 1HG GLU 49 -20.167 -1.277 -6.689 259 H LYS 50 H LYS 50 -18.810 -3.377 -3.273 260 HA LYS 50 HA LYS 50 -16.789 -2.478 -1.451 261 HB2 LYS 50 2HB LYS 50 -19.191 -3.573 -1.031 262 HB3 LYS 50 1HB LYS 50 -18.287 -5.067 -1.114 263 HG2 LYS 50 2HG LYS 50 -18.655 -4.413 1.201 264 HG3 LYS 50 1HG LYS 50 -16.934 -4.333 0.825 265 HD2 LYS 50 2HD LYS 50 -16.884 -2.065 0.828 266 HD3 LYS 50 1HD LYS 50 -18.588 -1.943 0.394 267 HE2 LYS 50 2HE LYS 50 -17.631 -2.874 3.111 268 HE3 LYS 50 1HE LYS 50 -18.024 -1.192 2.758 269 HZ1 LYS 50 3HZ LYS 50 -19.881 -3.526 2.822 270 HZ2 LYS 50 1HZ LYS 50 -20.272 -2.070 2.050 271 HZ3 LYS 50 2HZ LYS 50 -19.966 -2.044 3.655 272 H ALA 51 H ALA 51 -17.373 -5.308 -3.213 273 HA ALA 51 HA ALA 51 -14.974 -6.715 -2.555 274 HB1 ALA 51 1HB ALA 51 -16.758 -7.055 -4.969 275 HB2 ALA 51 2HB ALA 51 -16.971 -7.856 -3.414 276 HB3 ALA 51 3HB ALA 51 -15.553 -8.212 -4.399 277 H ARG 52 H ARG 52 -15.920 -4.557 -5.096 278 HA ARG 52 HA ARG 52 -13.742 -4.754 -6.837 279 HB2 ARG 52 2HB ARG 52 -15.970 -3.741 -7.261 280 HB3 ARG 52 1HB ARG 52 -15.495 -2.397 -6.249 281 HG2 ARG 52 2HG ARG 52 -13.830 -1.732 -7.845 282 HG3 ARG 52 1HG ARG 52 -14.172 -3.167 -8.831 283 HD2 ARG 52 2HD ARG 52 -16.514 -2.442 -9.020 284 HD3 ARG 52 1HD ARG 52 -16.114 -0.973 -8.144 285 HE ARG 52 HE ARG 52 -14.506 -0.601 -10.062 286 HH11 ARG 52 1HH1 ARG 52 -17.617 -2.344 -10.431 287 HH12 ARG 52 2HH1 ARG 52 -17.879 -1.777 -12.014 288 HH21 ARG 52 1HH2 ARG 52 -14.922 0.179 -12.237 289 HH22 ARG 52 2HH2 ARG 52 -16.330 -0.322 -13.071 290 H LEU 53 H LEU 53 -14.403 -2.391 -4.190 291 HA LEU 53 HA LEU 53 -11.862 -1.140 -4.529 292 HB2 LEU 53 2HB LEU 53 -12.288 0.008 -2.439 293 HB3 LEU 53 1HB LEU 53 -13.752 -0.050 -3.404 294 HG LEU 53 HG LEU 53 -14.092 -2.211 -2.019 295 HD11 LEU 53 1HD1 LEU 53 -13.543 -1.867 0.366 296 HD12 LEU 53 2HD1 LEU 53 -12.639 -0.424 -0.071 297 HD13 LEU 53 3HD1 LEU 53 -12.101 -2.007 -0.645 298 HD21 LEU 53 3HD2 LEU 53 -14.798 0.566 -1.156 299 HD22 LEU 53 1HD2 LEU 53 -15.556 -0.890 -0.518 300 HD23 LEU 53 2HD2 LEU 53 -15.707 -0.499 -2.229 301 H LEU 54 H LEU 54 -12.909 -3.902 -2.628 302 HA LEU 54 HA LEU 54 -10.577 -4.151 -1.094 303 HB2 LEU 54 2HB LEU 54 -12.520 -6.262 -2.006 304 HB3 LEU 54 1HB LEU 54 -11.212 -6.569 -0.882 305 HG LEU 54 HG LEU 54 -13.560 -4.736 -0.442 306 HD11 LEU 54 1HD1 LEU 54 -14.107 -7.086 -0.266 307 HD12 LEU 54 2HD1 LEU 54 -14.134 -6.306 1.317 308 HD13 LEU 54 3HD1 LEU 54 -12.771 -7.328 0.862 309 HD21 LEU 54 3HD2 LEU 54 -12.594 -4.552 1.882 310 HD22 LEU 54 1HD2 LEU 54 -11.666 -3.738 0.616 311 HD23 LEU 54 2HD2 LEU 54 -11.132 -5.291 1.221 312 H ARG 55 H ARG 55 -11.387 -5.110 -4.296 313 HA ARG 55 HA ARG 55 -9.062 -6.671 -4.778 314 HB2 ARG 55 2HB ARG 55 -11.013 -6.925 -6.207 315 HB3 ARG 55 1HB ARG 55 -10.969 -5.220 -6.630 316 HG2 ARG 55 2HG ARG 55 -8.725 -5.628 -7.661 317 HG3 ARG 55 1HG ARG 55 -9.001 -7.351 -7.413 318 HD2 ARG 55 2HD ARG 55 -10.941 -7.294 -8.823 319 HD3 ARG 55 1HD ARG 55 -10.840 -5.535 -8.952 320 HE ARG 55 HE ARG 55 -8.599 -7.147 -9.847 321 HH11 ARG 55 1HH1 ARG 55 -11.393 -5.135 -10.750 322 HH12 ARG 55 2HH1 ARG 55 -10.787 -4.769 -12.291 323 HH21 ARG 55 1HH2 ARG 55 -7.815 -6.652 -11.999 324 HH22 ARG 55 2HH2 ARG 55 -8.722 -5.645 -13.017 325 H GLU 56 H GLU 56 -9.937 -3.249 -4.960 326 HA GLU 56 HA GLU 56 -7.587 -2.625 -6.419 327 HB2 GLU 56 2HB GLU 56 -9.591 -1.212 -6.574 328 HB3 GLU 56 1HB GLU 56 -9.407 -0.765 -4.880 329 HG2 GLU 56 2HG GLU 56 -7.377 0.313 -5.302 330 HG3 GLU 56 1HG GLU 56 -7.335 -0.282 -6.971 331 H LEU 57 H LEU 57 -8.392 -2.724 -2.997 332 HA LEU 57 HA LEU 57 -5.907 -1.574 -2.281 333 HB2 LEU 57 2HB LEU 57 -6.399 -2.156 0.046 334 HB3 LEU 57 1HB LEU 57 -7.796 -1.455 -0.708 335 HG LEU 57 HG LEU 57 -8.650 -3.870 -0.917 336 HD11 LEU 57 1HD1 LEU 57 -6.562 -5.035 -0.412 337 HD12 LEU 57 2HD1 LEU 57 -7.817 -5.436 0.760 338 HD13 LEU 57 3HD1 LEU 57 -6.536 -4.305 1.195 339 HD21 LEU 57 3HD2 LEU 57 -8.333 -2.516 1.751 340 HD22 LEU 57 1HD2 LEU 57 -9.490 -3.800 1.395 341 HD23 LEU 57 2HD2 LEU 57 -9.617 -2.255 0.566 342 H THR 58 H THR 58 -7.014 -4.796 -2.882 343 HA THR 58 HA THR 58 -4.803 -6.175 -2.104 344 HB THR 58 HB THR 58 -6.780 -6.769 -4.320 345 HG1 THR 58 1HG THR 58 -7.811 -6.761 -2.367 346 HG21 THR 58 3HG2 THR 58 -4.814 -8.652 -2.980 347 HG22 THR 58 1HG2 THR 58 -4.729 -8.107 -4.655 348 HG23 THR 58 2HG2 THR 58 -6.065 -9.129 -4.124 349 H VAL 59 H VAL 59 -5.518 -4.498 -5.127 350 HA VAL 59 HA VAL 59 -3.103 -5.218 -6.442 351 HB VAL 59 HB VAL 59 -4.928 -2.834 -6.974 352 HG11 VAL 59 1HG1 VAL 59 -2.819 -4.067 -8.756 353 HG12 VAL 59 2HG1 VAL 59 -2.681 -2.522 -7.923 354 HG13 VAL 59 3HG1 VAL 59 -3.894 -2.733 -9.189 355 HG21 VAL 59 3HG2 VAL 59 -4.810 -5.550 -8.284 356 HG22 VAL 59 1HG2 VAL 59 -5.840 -4.211 -8.789 357 HG23 VAL 59 2HG2 VAL 59 -6.085 -4.964 -7.215 358 H SER 60 H SER 60 -4.074 -2.486 -4.433 359 HA SER 60 HA SER 60 -1.711 -0.975 -4.598 360 HB2 SER 60 2HB SER 60 -3.576 -1.258 -2.220 361 HB3 SER 60 1HB SER 60 -2.461 0.078 -2.510 362 HG SER 60 HG SER 60 -4.701 -0.615 -4.162 363 H GLU 61 H GLU 61 -2.704 -3.485 -2.537 364 HA GLU 61 HA GLU 61 -0.496 -3.806 -0.850 365 HB2 GLU 61 2HB GLU 61 -2.739 -4.708 -0.445 366 HB3 GLU 61 1HB GLU 61 -2.600 -5.734 -1.852 367 HG2 GLU 61 2HG GLU 61 -0.890 -6.989 -0.796 368 HG3 GLU 61 1HG GLU 61 -0.977 -5.933 0.644 369 H ALA 62 H ALA 62 -1.194 -4.926 -4.097 370 HA ALA 62 HA ALA 62 0.873 -6.878 -4.233 371 HB1 ALA 62 1HB ALA 62 0.332 -7.091 -6.582 372 HB2 ALA 62 2HB ALA 62 -0.611 -5.601 -6.520 373 HB3 ALA 62 3HB ALA 62 -1.155 -7.025 -5.630 374 H PHE 63 H PHE 63 0.647 -3.546 -5.498 375 HA PHE 63 HA PHE 63 3.314 -3.859 -6.391 376 HB2 PHE 63 2HB PHE 63 3.292 -1.254 -6.768 377 HB3 PHE 63 1HB PHE 63 2.432 -2.331 -7.842 378 HD1 PHE 63 1HD PHE 63 1.922 -0.249 -4.810 379 HD2 PHE 63 2HD PHE 63 0.280 -1.903 -8.359 380 HE1 PHE 63 1HE PHE 63 -0.159 1.018 -4.459 381 HE2 PHE 63 2HE PHE 63 -1.783 -0.633 -8.008 382 HZ PHE 63 HZ PHE 63 -1.998 0.796 -6.035 383 H ILE 64 H ILE 64 2.062 -2.641 -3.438 384 HA ILE 64 HA ILE 64 4.573 -1.694 -2.549 385 HB ILE 64 HB ILE 64 2.112 -2.613 -1.069 386 HG12 ILE 64 2HG1 ILE 64 2.208 -0.414 -2.223 387 HG13 ILE 64 1HG1 ILE 64 1.887 -0.276 -0.504 388 HG21 ILE 64 1HG2 ILE 64 3.980 -3.314 0.343 389 HG22 ILE 64 2HG2 ILE 64 3.144 -1.937 1.064 390 HG23 ILE 64 3HG2 ILE 64 4.682 -1.700 0.241 391 HD11 ILE 64 3HD1 ILE 64 4.275 0.315 -0.147 392 HD12 ILE 64 1HD1 ILE 64 3.448 1.444 -1.211 393 HD13 ILE 64 2HD1 ILE 64 4.534 0.239 -1.885 394 H GLU 65 H GLU 65 3.096 -4.895 -2.385 395 HA GLU 65 HA GLU 65 5.227 -6.200 -1.157 396 HB2 GLU 65 2HB GLU 65 3.043 -7.242 -1.500 397 HB3 GLU 65 1HB GLU 65 3.256 -7.170 -3.241 398 HG2 GLU 65 2HG GLU 65 3.616 -9.401 -2.485 399 HG3 GLU 65 1HG GLU 65 5.136 -8.697 -3.044 400 H GLY 66 H GLY 66 4.594 -5.485 -4.551 401 HA2 GLY 66 2HA GLY 66 6.833 -6.732 -5.675 402 HA3 GLY 66 1HA GLY 66 5.954 -5.385 -6.390 403 H SER 67 H SER 67 6.451 -3.394 -4.476 404 HA SER 67 HA SER 67 9.049 -2.687 -5.292 405 HB2 SER 67 2HB SER 67 8.596 -0.633 -3.848 406 HB3 SER 67 1HB SER 67 7.501 -0.898 -5.202 407 HG SER 67 HG SER 67 5.942 -1.447 -3.885 408 H ARG 68 H ARG 68 7.665 -3.856 -2.255 409 HA ARG 68 HA ARG 68 10.124 -3.389 -1.003 410 HB2 ARG 68 2HB ARG 68 9.391 -4.661 0.954 411 HB3 ARG 68 1HB ARG 68 8.109 -3.594 0.416 412 HG2 ARG 68 2HG ARG 68 6.977 -5.457 -0.620 413 HG3 ARG 68 1HG ARG 68 8.282 -6.543 -0.142 414 HD2 ARG 68 2HD ARG 68 7.819 -6.029 2.222 415 HD3 ARG 68 1HD ARG 68 6.486 -4.988 1.718 416 HE ARG 68 HE ARG 68 6.140 -7.508 0.580 417 HH11 ARG 68 1HH1 ARG 68 6.127 -6.147 3.889 418 HH12 ARG 68 2HH1 ARG 68 4.923 -7.200 4.444 419 HH21 ARG 68 1HH2 ARG 68 4.520 -8.952 1.381 420 HH22 ARG 68 2HH2 ARG 68 3.973 -8.836 3.002 421 H GLY 69 H GLY 69 8.854 -6.055 -2.736 422 HA2 GLY 69 2HA GLY 69 10.972 -7.840 -2.235 423 HA3 GLY 69 1HA GLY 69 9.915 -7.850 -3.650 424 H TYR 70 H TYR 70 10.624 -5.019 -4.202 425 HA TYR 70 HA TYR 70 12.827 -5.570 -5.937 426 HB2 TYR 70 2HB TYR 70 10.970 -3.990 -6.554 427 HB3 TYR 70 1HB TYR 70 11.552 -2.882 -5.319 428 HD1 TYR 70 2HD TYR 70 12.604 -4.643 -8.401 429 HD2 TYR 70 1HD TYR 70 13.199 -1.262 -5.885 430 HE1 TYR 70 2HE TYR 70 14.144 -3.690 -10.050 431 HE2 TYR 70 1HE TYR 70 14.753 -0.313 -7.541 432 HH TYR 70 HH TYR 70 15.005 -1.530 -10.689 433 H PHE 71 H PHE 71 12.299 -3.843 -2.955 434 HA PHE 71 HA PHE 71 14.879 -2.781 -2.717 435 HB2 PHE 71 2HB PHE 71 13.005 -3.534 -0.474 436 HB3 PHE 71 1HB PHE 71 14.395 -2.470 -0.335 437 HD1 PHE 71 1HD PHE 71 14.067 -0.856 -2.823 438 HD2 PHE 71 2HD PHE 71 11.231 -2.174 0.052 439 HE1 PHE 71 1HE PHE 71 12.605 1.020 -3.413 440 HE2 PHE 71 2HE PHE 71 9.763 -0.316 -0.538 441 HZ PHE 71 HZ PHE 71 10.445 1.291 -2.281 442 H GLN 72 H GLN 72 13.454 -5.791 -1.622 443 HA GLN 72 HA GLN 72 15.633 -6.893 -0.284 444 HB2 GLN 72 2HB GLN 72 13.568 -8.278 -2.004 445 HB3 GLN 72 1HB GLN 72 14.687 -9.112 -0.940 446 HG2 GLN 72 2HG GLN 72 12.584 -7.138 -0.080 447 HG3 GLN 72 1HG GLN 72 12.476 -8.893 0.053 448 HE21 GLN 72 1HE2 GLN 72 13.731 -9.945 1.571 449 HE22 GLN 72 2HE2 GLN 72 14.518 -9.126 2.867 450 H ARG 73 H ARG 73 14.844 -6.887 -3.711 451 HA ARG 73 HA ARG 73 17.057 -8.364 -4.627 452 HB2 ARG 73 2HB ARG 73 15.109 -6.499 -5.875 453 HB3 ARG 73 1HB ARG 73 16.599 -6.773 -6.743 454 HG2 ARG 73 2HG ARG 73 14.685 -8.179 -7.492 455 HG3 ARG 73 1HG ARG 73 16.101 -9.100 -7.014 456 HD2 ARG 73 2HD ARG 73 13.803 -8.595 -5.149 457 HD3 ARG 73 1HD ARG 73 13.799 -9.960 -6.273 458 HE ARG 73 HE ARG 73 16.173 -10.112 -4.969 459 HH11 ARG 73 1HH1 ARG 73 12.774 -10.164 -3.952 460 HH12 ARG 73 2HH1 ARG 73 13.082 -11.016 -2.508 461 HH21 ARG 73 1HH2 ARG 73 16.573 -11.308 -2.978 462 HH22 ARG 73 2HH2 ARG 73 15.276 -11.675 -1.944 463 H GLU 74 H GLU 74 16.603 -4.915 -4.147 464 HA GLU 74 HA GLU 74 19.183 -4.221 -5.075 465 HB2 GLU 74 2HB GLU 74 17.351 -2.644 -3.274 466 HB3 GLU 74 1HB GLU 74 18.797 -2.013 -4.044 467 HG2 GLU 74 2HG GLU 74 17.765 -2.564 -6.247 468 HG3 GLU 74 1HG GLU 74 16.285 -2.961 -5.373 469 H LEU 75 H LEU 75 18.009 -5.154 -1.977 470 HA LEU 75 HA LEU 75 20.379 -4.461 -0.565 471 HB2 LEU 75 2HB LEU 75 18.198 -6.451 0.102 472 HB3 LEU 75 1HB LEU 75 19.484 -5.996 1.201 473 HG LEU 75 HG LEU 75 17.384 -4.100 0.125 474 HD11 LEU 75 1HD1 LEU 75 16.388 -5.713 1.642 475 HD12 LEU 75 2HD1 LEU 75 16.477 -4.104 2.369 476 HD13 LEU 75 3HD1 LEU 75 17.628 -5.349 2.852 477 HD21 LEU 75 3HD2 LEU 75 19.554 -3.733 2.183 478 HD22 LEU 75 1HD2 LEU 75 18.223 -2.606 1.901 479 HD23 LEU 75 2HD2 LEU 75 19.390 -2.917 0.624 480 H LYS 76 H LYS 76 19.609 -6.933 -2.758 481 HA LYS 76 HA LYS 76 21.654 -8.725 -1.710 482 HB2 LYS 76 2HB LYS 76 19.800 -9.058 -4.071 483 HB3 LYS 76 1HB LYS 76 20.999 -10.238 -3.573 484 HG2 LYS 76 2HG LYS 76 18.693 -9.305 -1.870 485 HG3 LYS 76 1HG LYS 76 18.694 -10.777 -2.830 486 HD2 LYS 76 2HD LYS 76 20.800 -10.280 -0.730 487 HD3 LYS 76 1HD LYS 76 19.228 -10.926 -0.303 488 HE2 LYS 76 2HE LYS 76 20.805 -12.740 -0.552 489 HE3 LYS 76 1HE LYS 76 19.604 -12.826 -1.827 490 HZ1 LYS 76 3HZ LYS 76 21.238 -11.975 -3.387 491 HZ2 LYS 76 1HZ LYS 76 21.824 -13.313 -2.591 492 HZ3 LYS 76 2HZ LYS 76 22.398 -11.809 -2.157 493 H ARG 77 H ARG 77 21.400 -6.183 -3.837 494 HA ARG 77 HA ARG 77 23.365 -6.917 -5.747 495 HB2 ARG 77 2HB ARG 77 22.494 -4.154 -4.849 496 HB3 ARG 77 1HB ARG 77 23.498 -4.479 -6.259 497 HG2 ARG 77 2HG ARG 77 21.668 -5.727 -7.292 498 HG3 ARG 77 1HG ARG 77 20.671 -5.459 -5.869 499 HD2 ARG 77 2HD ARG 77 20.788 -3.022 -6.276 500 HD3 ARG 77 1HD ARG 77 21.745 -3.324 -7.725 501 HE ARG 77 HE ARG 77 19.452 -4.814 -8.016 502 HH11 ARG 77 1HH1 ARG 77 20.190 -1.356 -7.682 503 HH12 ARG 77 2HH1 ARG 77 18.795 -0.834 -8.495 504 HH21 ARG 77 1HH2 ARG 77 17.552 -4.095 -9.158 505 HH22 ARG 77 2HH2 ARG 77 17.239 -2.443 -9.392 506 H THR 78 H THR 78 23.501 -5.870 -2.520 507 HA THR 78 HA THR 78 25.092 -5.964 -0.970 508 HB THR 78 HB THR 78 27.062 -6.839 -3.088 509 HG1 THR 78 1HG THR 78 24.950 -8.049 -2.791 510 HG21 THR 78 3HG2 THR 78 28.070 -6.249 -0.927 511 HG22 THR 78 1HG2 THR 78 28.137 -7.993 -1.178 512 HG23 THR 78 2HG2 THR 78 26.928 -7.305 -0.095 513 H ASP 79 H ASP 79 25.959 -4.201 -3.872 514 HA ASP 79 HA ASP 79 28.047 -2.636 -2.892 515 HB2 ASP 79 2HB ASP 79 25.974 -1.941 -4.984 516 HB3 ASP 79 1HB ASP 79 27.409 -0.977 -4.668 517 H LEU 80 H LEU 80 24.847 -1.182 -3.447 518 HA LEU 80 HA LEU 80 23.624 0.307 -2.351 519 HB2 LEU 80 2HB LEU 80 24.752 -1.145 0.022 520 HB3 LEU 80 1HB LEU 80 23.576 0.136 0.159 521 HG LEU 80 HG LEU 80 22.050 -1.298 -1.279 522 HD11 LEU 80 1HD1 LEU 80 23.687 -2.822 -2.190 523 HD12 LEU 80 2HD1 LEU 80 22.439 -3.689 -1.293 524 HD13 LEU 80 3HD1 LEU 80 24.028 -3.438 -0.573 525 HD21 LEU 80 3HD2 LEU 80 22.884 -2.222 1.457 526 HD22 LEU 80 1HD2 LEU 80 21.404 -2.716 0.637 527 HD23 LEU 80 2HD2 LEU 80 21.654 -1.024 1.053 528 H ASP 81 H ASP 81 23.480 1.874 -0.872 529 HA ASP 81 HA ASP 81 25.912 3.263 -0.030 530 HB2 ASP 81 2HB ASP 81 24.898 4.507 -1.978 531 HB3 ASP 81 1HB ASP 81 23.386 4.596 -1.086 532 H LEU 82 H LEU 82 25.529 4.355 2.035 533 HA LEU 82 HA LEU 82 23.816 2.907 3.728 534 HB2 LEU 82 2HB LEU 82 25.122 5.592 4.191 535 HB3 LEU 82 1HB LEU 82 24.345 4.645 5.436 536 HG LEU 82 HG LEU 82 26.841 3.896 3.914 537 HD11 LEU 82 1HD1 LEU 82 27.941 4.124 6.075 538 HD12 LEU 82 2HD1 LEU 82 26.415 4.627 6.803 539 HD13 LEU 82 3HD1 LEU 82 27.182 5.637 5.578 540 HD21 LEU 82 3HD2 LEU 82 25.554 1.886 4.399 541 HD22 LEU 82 1HD2 LEU 82 25.371 2.387 6.081 542 HD23 LEU 82 2HD2 LEU 82 26.964 1.976 5.452 543 H LEU 83 H LEU 83 23.423 5.992 2.108 544 HA LEU 83 HA LEU 83 20.992 6.724 3.368 545 HB2 LEU 83 2HB LEU 83 22.458 8.326 2.227 546 HB3 LEU 83 1HB LEU 83 22.107 7.514 0.708 547 HG LEU 83 HG LEU 83 19.747 8.157 0.932 548 HD11 LEU 83 1HD1 LEU 83 20.681 9.727 3.326 549 HD12 LEU 83 2HD1 LEU 83 19.594 8.334 3.346 550 HD13 LEU 83 3HD1 LEU 83 19.092 9.831 2.570 551 HD21 LEU 83 3HD2 LEU 83 21.681 10.440 1.103 552 HD22 LEU 83 1HD2 LEU 83 20.044 10.498 0.441 553 HD23 LEU 83 2HD2 LEU 83 21.277 9.504 -0.349 554 H GLU 84 H GLU 84 21.842 4.987 0.462 555 HA GLU 84 HA GLU 84 19.197 4.815 -0.493 556 HB2 GLU 84 2HB GLU 84 21.620 3.149 -1.140 557 HB3 GLU 84 1HB GLU 84 20.061 2.937 -1.927 558 HG2 GLU 84 2HG GLU 84 21.727 5.442 -1.951 559 HG3 GLU 84 1HG GLU 84 21.512 4.312 -3.293 560 H LYS 85 H LYS 85 21.160 2.681 1.497 561 HA LYS 85 HA LYS 85 19.273 0.622 1.790 562 HB2 LYS 85 2HB LYS 85 21.647 0.473 2.580 563 HB3 LYS 85 1HB LYS 85 21.250 1.613 3.854 564 HG2 LYS 85 2HG LYS 85 19.644 0.010 4.803 565 HG3 LYS 85 1HG LYS 85 20.041 -1.138 3.526 566 HD2 LYS 85 2HD LYS 85 21.243 -1.755 5.520 567 HD3 LYS 85 1HD LYS 85 22.395 -1.137 4.340 568 HE2 LYS 85 2HE LYS 85 22.950 -0.233 6.502 569 HE3 LYS 85 1HE LYS 85 22.325 1.063 5.495 570 HZ1 LYS 85 3HZ LYS 85 21.318 1.278 7.635 571 HZ2 LYS 85 1HZ LYS 85 20.969 -0.356 7.705 572 HZ3 LYS 85 2HZ LYS 85 20.092 0.609 6.694 573 H PHE 86 H PHE 86 19.796 3.653 3.429 574 HA PHE 86 HA PHE 86 17.916 3.375 5.385 575 HB2 PHE 86 2HB PHE 86 19.579 5.116 5.560 576 HB3 PHE 86 1HB PHE 86 19.010 5.873 4.085 577 HD1 PHE 86 2HD PHE 86 18.200 5.233 7.631 578 HD2 PHE 86 1HD PHE 86 17.253 7.458 4.129 579 HE1 PHE 86 2HE PHE 86 16.759 6.718 8.965 580 HE2 PHE 86 1HE PHE 86 15.819 8.948 5.454 581 HZ PHE 86 HZ PHE 86 15.567 8.579 7.875 582 H ASN 87 H ASN 87 17.611 4.288 2.110 583 HA ASN 87 HA ASN 87 14.972 5.382 2.154 584 HB2 ASN 87 2HB ASN 87 16.696 6.008 0.462 585 HB3 ASN 87 1HB ASN 87 16.663 4.374 -0.159 586 HD21 ASN 87 1HD2 ASN 87 16.164 6.950 -1.450 587 HD22 ASN 87 2HD2 ASN 87 14.614 6.824 -2.181 588 H PHE 88 H PHE 88 16.474 2.255 1.427 589 HA PHE 88 HA PHE 88 14.083 1.028 0.510 590 HB2 PHE 88 2HB PHE 88 16.402 -0.427 1.782 591 HB3 PHE 88 1HB PHE 88 15.242 -1.073 0.636 592 HD1 PHE 88 1HD PHE 88 15.311 1.182 -1.372 593 HD2 PHE 88 2HD PHE 88 18.379 -0.870 0.726 594 HE1 PHE 88 1HE PHE 88 16.909 1.764 -3.133 595 HE2 PHE 88 2HE PHE 88 19.979 -0.290 -1.027 596 HZ PHE 88 HZ PHE 88 19.260 1.045 -2.924 597 H GLU 89 H GLU 89 15.815 1.148 3.575 598 HA GLU 89 HA GLU 89 13.947 -0.441 4.953 599 HB2 GLU 89 2HB GLU 89 15.915 1.601 5.944 600 HB3 GLU 89 1HB GLU 89 14.988 0.528 6.980 601 HG2 GLU 89 2HG GLU 89 16.070 -1.397 5.858 602 HG3 GLU 89 1HG GLU 89 17.076 -0.251 4.966 603 H ALA 90 H ALA 90 14.202 2.922 4.102 604 HA ALA 90 HA ALA 90 12.245 3.763 6.003 605 HB1 ALA 90 1HB ALA 90 13.032 5.107 3.414 606 HB2 ALA 90 2HB ALA 90 13.745 5.420 4.997 607 HB3 ALA 90 3HB ALA 90 12.063 5.848 4.683 608 H ALA 91 H ALA 91 12.167 2.868 2.638 609 HA ALA 91 HA ALA 91 9.394 3.238 2.303 610 HB1 ALA 91 1HB ALA 91 11.009 3.319 0.471 611 HB2 ALA 91 2HB ALA 91 9.714 2.156 0.170 612 HB3 ALA 91 3HB ALA 91 11.311 1.598 0.677 613 H LEU 92 H LEU 92 11.347 0.452 3.199 614 HA LEU 92 HA LEU 92 9.310 -1.469 3.146 615 HB2 LEU 92 2HB LEU 92 11.644 -1.226 5.059 616 HB3 LEU 92 1HB LEU 92 10.592 -2.622 4.987 617 HG LEU 92 HG LEU 92 12.375 -1.681 2.731 618 HD11 LEU 92 1HD1 LEU 92 13.669 -2.517 4.630 619 HD12 LEU 92 2HD1 LEU 92 13.739 -3.629 3.263 620 HD13 LEU 92 3HD1 LEU 92 12.702 -3.992 4.640 621 HD21 LEU 92 3HD2 LEU 92 10.394 -2.874 1.951 622 HD22 LEU 92 1HD2 LEU 92 10.741 -4.194 3.066 623 HD23 LEU 92 2HD2 LEU 92 11.846 -3.851 1.735 624 H ALA 93 H ALA 93 10.175 0.874 5.610 625 HA ALA 93 HA ALA 93 8.187 -0.033 7.434 626 HB1 ALA 93 1HB ALA 93 8.768 1.922 8.762 627 HB2 ALA 93 2HB ALA 93 9.688 2.585 7.412 628 HB3 ALA 93 3HB ALA 93 10.229 1.106 8.205 629 H THR 94 H THR 94 8.214 2.196 4.781 630 HA THR 94 HA THR 94 5.893 3.537 5.700 631 HB THR 94 HB THR 94 7.107 3.523 2.907 632 HG1 THR 94 1HG THR 94 8.480 4.283 4.724 633 HG21 THR 94 3HG2 THR 94 5.254 5.509 4.252 634 HG22 THR 94 1HG2 THR 94 4.785 4.377 2.984 635 HG23 THR 94 2HG2 THR 94 5.933 5.670 2.635 636 H GLY 95 H GLY 95 6.726 0.921 3.486 637 HA2 GLY 95 2HA GLY 95 4.167 0.442 2.460 638 HA3 GLY 95 1HA GLY 95 5.540 -0.662 2.462 639 H ASP 96 H ASP 96 6.041 -0.810 5.163 640 HA ASP 96 HA ASP 96 4.302 -2.799 6.037 641 HB2 ASP 96 2HB ASP 96 6.575 -2.525 6.920 642 HB3 ASP 96 1HB ASP 96 6.108 -1.008 7.673 643 H LEU 97 H LEU 97 4.457 0.597 6.986 644 HA LEU 97 HA LEU 97 2.298 0.455 8.776 645 HB2 LEU 97 2HB LEU 97 3.387 2.848 7.317 646 HB3 LEU 97 1HB LEU 97 2.201 2.930 8.606 647 HG LEU 97 HG LEU 97 5.046 1.972 8.832 648 HD11 LEU 97 1HD1 LEU 97 3.651 4.377 9.981 649 HD12 LEU 97 2HD1 LEU 97 4.848 4.379 8.683 650 HD13 LEU 97 3HD1 LEU 97 5.314 3.895 10.311 651 HD21 LEU 97 3HD2 LEU 97 3.638 0.624 10.258 652 HD22 LEU 97 1HD2 LEU 97 2.865 2.068 10.916 653 HD23 LEU 97 2HD2 LEU 97 4.572 1.751 11.245 654 H LEU 98 H LEU 98 2.329 1.443 5.378 655 HA LEU 98 HA LEU 98 -0.479 1.824 5.406 656 HB2 LEU 98 2HB LEU 98 -0.372 2.037 2.976 657 HB3 LEU 98 1HB LEU 98 0.848 3.015 3.764 658 HG LEU 98 HG LEU 98 2.293 0.966 3.383 659 HD11 LEU 98 1HD1 LEU 98 0.558 -0.465 2.458 660 HD12 LEU 98 2HD1 LEU 98 1.898 -0.260 1.362 661 HD13 LEU 98 3HD1 LEU 98 0.379 0.614 1.065 662 HD21 LEU 98 3HD2 LEU 98 1.625 2.945 1.203 663 HD22 LEU 98 1HD2 LEU 98 3.071 1.937 1.204 664 HD23 LEU 98 2HD2 LEU 98 2.830 3.127 2.479 665 H LEU 99 H LEU 99 1.511 -0.983 4.947 666 HA LEU 99 HA LEU 99 -0.492 -2.575 3.789 667 HB2 LEU 99 2HB LEU 99 2.107 -3.077 5.109 668 HB3 LEU 99 1HB LEU 99 1.017 -4.460 4.997 669 HG LEU 99 HG LEU 99 2.114 -2.834 2.668 670 HD11 LEU 99 1HD1 LEU 99 2.833 -5.571 3.676 671 HD12 LEU 99 2HD1 LEU 99 3.834 -4.121 3.801 672 HD13 LEU 99 3HD1 LEU 99 3.454 -4.800 2.219 673 HD21 LEU 99 3HD2 LEU 99 -0.084 -3.830 2.179 674 HD22 LEU 99 1HD2 LEU 99 0.519 -5.396 2.721 675 HD23 LEU 99 2HD2 LEU 99 1.207 -4.632 1.291 676 H LYS 100 H LYS 100 0.473 -1.843 7.029 677 HA LYS 100 HA LYS 100 -1.469 -3.461 8.219 678 HB2 LYS 100 2HB LYS 100 0.202 -1.180 9.181 679 HB3 LYS 100 1HB LYS 100 -1.193 -1.639 10.132 680 HG2 LYS 100 2HG LYS 100 0.866 -2.628 10.981 681 HG3 LYS 100 1HG LYS 100 -0.270 -3.861 10.458 682 HD2 LYS 100 2HD LYS 100 1.001 -4.272 8.481 683 HD3 LYS 100 1HD LYS 100 2.016 -2.864 8.781 684 HE2 LYS 100 2HE LYS 100 3.145 -4.967 9.364 685 HE3 LYS 100 1HE LYS 100 2.950 -3.900 10.748 686 HZ1 LYS 100 3HZ LYS 100 2.464 -6.231 11.227 687 HZ2 LYS 100 1HZ LYS 100 1.184 -6.207 10.141 688 HZ3 LYS 100 2HZ LYS 100 1.134 -5.246 11.528 689 H ASP 101 H ASP 101 -1.403 -0.247 6.832 690 HA ASP 101 HA ASP 101 -3.814 0.672 7.968 691 HB2 ASP 101 2HB ASP 101 -2.015 2.064 6.791 692 HB3 ASP 101 1HB ASP 101 -2.692 1.497 5.272 693 H LEU 102 H LEU 102 -2.986 -0.869 4.924 694 HA LEU 102 HA LEU 102 -5.458 -0.987 3.624 695 HB2 LEU 102 2HB LEU 102 -3.046 -2.780 3.480 696 HB3 LEU 102 1HB LEU 102 -4.436 -2.982 2.441 697 HG LEU 102 HG LEU 102 -2.829 -0.425 2.508 698 HD11 LEU 102 1HD1 LEU 102 -1.362 -2.279 1.878 699 HD12 LEU 102 2HD1 LEU 102 -1.736 -1.272 0.478 700 HD13 LEU 102 3HD1 LEU 102 -2.547 -2.824 0.691 701 HD21 LEU 102 3HD2 LEU 102 -3.863 -0.038 0.383 702 HD22 LEU 102 1HD2 LEU 102 -5.131 -0.369 1.566 703 HD23 LEU 102 2HD2 LEU 102 -4.614 -1.622 0.417 704 H LYS 103 H LYS 103 -3.853 -3.400 5.641 705 HA LYS 103 HA LYS 103 -5.945 -5.277 5.334 706 HB2 LYS 103 2HB LYS 103 -3.682 -5.185 7.319 707 HB3 LYS 103 1HB LYS 103 -4.739 -6.571 7.057 708 HG2 LYS 103 2HG LYS 103 -3.967 -6.780 4.771 709 HG3 LYS 103 1HG LYS 103 -2.983 -5.328 4.946 710 HD2 LYS 103 2HD LYS 103 -1.669 -6.425 6.666 711 HD3 LYS 103 1HD LYS 103 -2.658 -7.876 6.506 712 HE2 LYS 103 2HE LYS 103 -0.911 -6.652 4.364 713 HE3 LYS 103 1HE LYS 103 -0.537 -8.099 5.292 714 HZ1 LYS 103 3HZ LYS 103 -2.584 -7.770 3.162 715 HZ2 LYS 103 1HZ LYS 103 -2.655 -9.053 4.293 716 HZ3 LYS 103 2HZ LYS 103 -1.330 -8.857 3.313 717 H ALA 104 H ALA 104 -5.260 -2.835 7.772 718 HA ALA 104 HA ALA 104 -7.206 -3.782 9.610 719 HB1 ALA 104 1HB ALA 104 -5.336 -2.365 10.298 720 HB2 ALA 104 2HB ALA 104 -6.891 -1.659 10.740 721 HB3 ALA 104 3HB ALA 104 -6.000 -1.032 9.352 722 H LEU 105 H LEU 105 -7.192 -1.490 6.941 723 HA LEU 105 HA LEU 105 -9.760 -0.552 7.573 724 HB2 LEU 105 2HB LEU 105 -9.587 0.912 5.782 725 HB3 LEU 105 1HB LEU 105 -7.905 0.626 6.141 726 HG LEU 105 HG LEU 105 -8.261 -1.238 4.264 727 HD11 LEU 105 1HD1 LEU 105 -10.249 0.879 3.525 728 HD12 LEU 105 2HD1 LEU 105 -10.585 -0.799 3.946 729 HD13 LEU 105 3HD1 LEU 105 -9.682 -0.428 2.480 730 HD21 LEU 105 3HD2 LEU 105 -7.312 0.344 2.654 731 HD22 LEU 105 1HD2 LEU 105 -6.582 0.580 4.242 732 HD23 LEU 105 2HD2 LEU 105 -7.821 1.694 3.670 733 H GLN 106 H GLN 106 -8.401 -3.101 5.652 734 HA GLN 106 HA GLN 106 -10.732 -3.908 4.205 735 HB2 GLN 106 2HB GLN 106 -8.255 -4.476 3.764 736 HB3 GLN 106 1HB GLN 106 -8.346 -5.541 5.141 737 HG2 GLN 106 2HG GLN 106 -10.063 -5.865 2.711 738 HG3 GLN 106 1HG GLN 106 -8.456 -6.569 2.839 739 HE21 GLN 106 1HE2 GLN 106 -10.941 -7.902 2.426 740 HE22 GLN 106 2HE2 GLN 106 -11.179 -8.962 3.769 741 H LYS 107 H LYS 107 -9.463 -4.699 7.321 742 HA LYS 107 HA LYS 107 -11.556 -6.517 7.915 743 HB2 LYS 107 2HB LYS 107 -9.200 -5.533 9.177 744 HB3 LYS 107 1HB LYS 107 -10.543 -5.264 10.272 745 HG2 LYS 107 2HG LYS 107 -9.422 -7.383 10.670 746 HG3 LYS 107 1HG LYS 107 -11.120 -7.599 10.220 747 HD2 LYS 107 2HD LYS 107 -9.768 -9.264 9.098 748 HD3 LYS 107 1HD LYS 107 -10.359 -8.132 7.892 749 HE2 LYS 107 2HE LYS 107 -8.162 -6.954 8.018 750 HE3 LYS 107 1HE LYS 107 -7.618 -8.216 9.128 751 HZ1 LYS 107 3HZ LYS 107 -8.019 -9.846 7.345 752 HZ2 LYS 107 1HZ LYS 107 -6.904 -8.670 6.863 753 HZ3 LYS 107 2HZ LYS 107 -8.487 -8.594 6.327 754 H ARG 108 H ARG 108 -11.248 -3.027 8.198 755 HA ARG 108 HA ARG 108 -13.699 -2.718 9.586 756 HB2 ARG 108 2HB ARG 108 -11.962 -0.804 8.044 757 HB3 ARG 108 1HB ARG 108 -13.570 -0.326 8.559 758 HG2 ARG 108 2HG ARG 108 -12.944 -0.794 10.889 759 HG3 ARG 108 1HG ARG 108 -11.320 -1.219 10.351 760 HD2 ARG 108 2HD ARG 108 -12.525 1.452 9.698 761 HD3 ARG 108 1HD ARG 108 -11.741 1.167 11.246 762 HE ARG 108 HE ARG 108 -9.737 0.561 9.924 763 HH11 ARG 108 1HH1 ARG 108 -12.125 2.649 8.274 764 HH12 ARG 108 2HH1 ARG 108 -10.931 3.581 7.517 765 HH21 ARG 108 1HH2 ARG 108 -8.154 1.942 8.864 766 HH22 ARG 108 2HH2 ARG 108 -8.708 3.188 7.852 767 H VAL 109 H VAL 109 -12.782 -2.698 6.185 768 HA VAL 109 HA VAL 109 -15.299 -2.129 5.244 769 HB VAL 109 HB VAL 109 -13.060 -3.669 3.890 770 HG11 VAL 109 1HG1 VAL 109 -14.203 -3.218 1.771 771 HG12 VAL 109 2HG1 VAL 109 -15.533 -2.466 2.648 772 HG13 VAL 109 3HG1 VAL 109 -15.219 -4.192 2.833 773 HG21 VAL 109 3HG2 VAL 109 -12.550 -1.364 4.492 774 HG22 VAL 109 1HG2 VAL 109 -13.978 -0.818 3.622 775 HG23 VAL 109 2HG2 VAL 109 -12.641 -1.563 2.739 776 H GLN 110 H GLN 110 -13.730 -5.187 5.979 777 HA GLN 110 HA GLN 110 -15.882 -6.858 5.247 778 HB2 GLN 110 2HB GLN 110 -13.729 -7.314 7.281 779 HB3 GLN 110 1HB GLN 110 -14.927 -8.532 6.868 780 HG2 GLN 110 2HG GLN 110 -14.136 -8.378 4.515 781 HG3 GLN 110 1HG GLN 110 -12.847 -7.321 5.082 782 HE21 GLN 110 1HE2 GLN 110 -12.636 -8.875 7.631 783 HE22 GLN 110 2HE2 GLN 110 -11.761 -10.288 7.185 784 H ASP 111 H ASP 111 -15.199 -5.043 8.098 785 HA ASP 111 HA ASP 111 -17.102 -6.303 9.667 786 HB2 ASP 111 2HB ASP 111 -15.330 -5.157 10.785 787 HB3 ASP 111 1HB ASP 111 -15.755 -3.637 10.008 788 H SER 112 H SER 112 -17.126 -3.355 7.753 789 HA SER 112 HA SER 112 -19.699 -2.436 8.464 790 HB2 SER 112 2HB SER 112 -18.214 -2.011 5.868 791 HB3 SER 112 1HB SER 112 -19.484 -0.982 6.536 792 HG SER 112 HG SER 112 -17.725 -1.144 8.434 793 H GLU 113 H GLU 113 -18.459 -4.679 6.145 794 HA GLU 113 HA GLU 113 -19.283 -6.373 5.019 795 HB2 GLU 113 2HB GLU 113 -20.345 -6.860 7.206 796 HB3 GLU 113 1HB GLU 113 -21.776 -5.995 6.673 797 HG2 GLU 113 2HG GLU 113 -22.134 -7.589 4.930 798 HG3 GLU 113 1HG GLU 113 -20.617 -8.398 5.356 Start of MODEL 10 1 H1 ASN 18 1HT ASN 18 8.818 12.009 3.661 2 H2 ASN 18 2HT ASN 18 9.197 13.526 3.053 3 H3 ASN 18 3HT ASN 18 9.517 13.179 4.678 4 HA ASN 18 HA ASN 18 11.484 13.180 3.271 5 HB2 ASN 18 2HB ASN 18 12.379 10.930 3.918 6 HB3 ASN 18 1HB ASN 18 11.558 11.721 5.252 7 HD21 ASN 18 1HD2 ASN 18 11.269 9.721 6.290 8 HD22 ASN 18 2HD2 ASN 18 10.068 8.594 5.763 9 H THR 19 H THR 19 12.724 11.466 1.775 10 HA THR 19 HA THR 19 11.364 11.626 -0.664 11 HB THR 19 HB THR 19 13.821 9.986 0.016 12 HG1 THR 19 1HG THR 19 13.439 12.714 -0.716 13 HG21 THR 19 3HG2 THR 19 14.412 10.345 -2.352 14 HG22 THR 19 1HG2 THR 19 12.907 11.232 -2.601 15 HG23 THR 19 2HG2 THR 19 12.864 9.510 -2.228 16 H ALA 20 H ALA 20 11.429 9.133 1.754 17 HA ALA 20 HA ALA 20 10.683 6.951 0.114 18 HB1 ALA 20 1HB ALA 20 10.105 5.845 2.212 19 HB2 ALA 20 2HB ALA 20 10.254 7.383 3.064 20 HB3 ALA 20 3HB ALA 20 11.673 6.644 2.320 21 H THR 21 H THR 21 8.815 9.283 2.059 22 HA THR 21 HA THR 21 6.327 8.130 1.369 23 HB THR 21 HB THR 21 5.402 10.265 2.247 24 HG1 THR 21 1HG THR 21 6.817 11.866 2.283 25 HG21 THR 21 3HG2 THR 21 6.107 9.827 4.587 26 HG22 THR 21 1HG2 THR 21 7.383 8.786 3.962 27 HG23 THR 21 2HG2 THR 21 5.690 8.357 3.701 28 H GLN 22 H GLN 22 8.361 10.543 -0.011 29 HA GLN 22 HA GLN 22 6.503 11.494 -1.901 30 HB2 GLN 22 2HB GLN 22 9.521 11.540 -1.879 31 HB3 GLN 22 1HB GLN 22 8.568 12.266 -3.169 32 HG2 GLN 22 2HG GLN 22 8.347 13.001 -0.255 33 HG3 GLN 22 1HG GLN 22 9.263 13.905 -1.462 34 HE21 GLN 22 1HE2 GLN 22 6.886 14.671 0.169 35 HE22 GLN 22 2HE2 GLN 22 5.715 15.182 -0.995 36 H ARG 23 H ARG 23 8.730 8.809 -1.879 37 HA ARG 23 HA ARG 23 8.129 7.996 -4.529 38 HB2 ARG 23 2HB ARG 23 10.192 7.286 -3.404 39 HB3 ARG 23 1HB ARG 23 9.258 6.428 -2.199 40 HG2 ARG 23 2HG ARG 23 10.280 4.900 -3.820 41 HG3 ARG 23 1HG ARG 23 8.526 4.814 -3.879 42 HD2 ARG 23 2HD ARG 23 10.104 6.533 -5.789 43 HD3 ARG 23 1HD ARG 23 9.800 4.829 -6.113 44 HE ARG 23 HE ARG 23 7.353 5.585 -5.733 45 HH11 ARG 23 1HH1 ARG 23 9.806 7.529 -7.410 46 HH12 ARG 23 2HH1 ARG 23 8.704 8.255 -8.477 47 HH21 ARG 23 1HH2 ARG 23 5.822 6.571 -7.197 48 HH22 ARG 23 2HH2 ARG 23 6.383 7.647 -8.388 49 H PHE 24 H PHE 24 6.866 6.951 -1.301 50 HA PHE 24 HA PHE 24 4.869 5.457 -2.786 51 HB2 PHE 24 2HB PHE 24 5.565 5.400 0.156 52 HB3 PHE 24 1HB PHE 24 4.089 4.670 -0.459 53 HD1 PHE 24 1HD PHE 24 4.974 3.437 -2.946 54 HD2 PHE 24 2HD PHE 24 6.957 3.583 0.848 55 HE1 PHE 24 1HE PHE 24 6.167 1.369 -3.477 56 HE2 PHE 24 2HE PHE 24 8.141 1.535 0.285 57 HZ PHE 24 HZ PHE 24 7.748 0.413 -1.869 58 H HIS 25 H HIS 25 3.791 7.045 -3.644 59 HA HIS 25 HA HIS 25 2.100 8.563 -1.782 60 HB2 HIS 25 2HB HIS 25 2.237 10.615 -3.101 61 HB3 HIS 25 1HB HIS 25 3.830 10.116 -2.571 62 HD1 HIS 25 1HD HIS 25 2.817 11.944 -5.091 63 HD2 HIS 25 2HD HIS 25 4.568 8.185 -5.196 64 HE1 HIS 25 1HE HIS 25 3.896 11.758 -7.362 65 HE2 HIS 25 2HE HIS 25 4.572 9.359 -7.493 66 H GLU 26 H GLU 26 2.355 6.891 -4.784 67 HA GLU 26 HA GLU 26 -0.252 7.621 -5.684 68 HB2 GLU 26 2HB GLU 26 0.041 5.744 -7.346 69 HB3 GLU 26 1HB GLU 26 1.284 6.966 -7.428 70 HG2 GLU 26 2HG GLU 26 1.607 4.288 -6.059 71 HG3 GLU 26 1HG GLU 26 2.097 4.621 -7.716 72 H ILE 27 H ILE 27 1.225 5.030 -3.967 73 HA ILE 27 HA ILE 27 -1.140 3.517 -3.666 74 HB ILE 27 HB ILE 27 1.037 2.453 -3.412 75 HG12 ILE 27 2HG1 ILE 27 0.692 1.228 -1.279 76 HG13 ILE 27 1HG1 ILE 27 -0.528 2.423 -0.843 77 HG21 ILE 27 1HG2 ILE 27 2.484 2.828 -1.476 78 HG22 ILE 27 2HG2 ILE 27 1.438 4.152 -0.967 79 HG23 ILE 27 3HG2 ILE 27 2.324 4.266 -2.486 80 HD11 ILE 27 3HD1 ILE 27 -0.647 0.602 -3.223 81 HD12 ILE 27 1HD1 ILE 27 -1.883 1.757 -2.724 82 HD13 ILE 27 2HD1 ILE 27 -1.509 0.367 -1.699 83 H GLU 28 H GLU 28 0.313 6.136 -1.906 84 HA GLU 28 HA GLU 28 -1.194 6.061 0.475 85 HB2 GLU 28 2HB GLU 28 0.889 7.373 0.135 86 HB3 GLU 28 1HB GLU 28 0.018 8.421 -0.970 87 HG2 GLU 28 2HG GLU 28 0.217 9.531 1.120 88 HG3 GLU 28 1HG GLU 28 -1.467 9.061 0.907 89 H LYS 29 H LYS 29 -1.644 7.865 -2.537 90 HA LYS 29 HA LYS 29 -4.059 9.048 -1.693 91 HB2 LYS 29 2HB LYS 29 -4.468 9.727 -3.999 92 HB3 LYS 29 1HB LYS 29 -2.790 10.007 -3.567 93 HG2 LYS 29 2HG LYS 29 -2.101 8.065 -4.797 94 HG3 LYS 29 1HG LYS 29 -3.777 7.642 -5.132 95 HD2 LYS 29 2HD LYS 29 -2.762 8.667 -7.058 96 HD3 LYS 29 1HD LYS 29 -4.029 9.712 -6.421 97 HE2 LYS 29 2HE LYS 29 -2.327 11.078 -5.296 98 HE3 LYS 29 1HE LYS 29 -1.061 10.035 -5.952 99 HZ1 LYS 29 3HZ LYS 29 -1.322 12.039 -7.258 100 HZ2 LYS 29 1HZ LYS 29 -2.952 11.695 -7.511 101 HZ3 LYS 29 2HZ LYS 29 -1.779 10.693 -8.174 102 H PHE 30 H PHE 30 -3.369 6.034 -3.358 103 HA PHE 30 HA PHE 30 -5.968 5.294 -4.021 104 HB2 PHE 30 2HB PHE 30 -3.454 3.870 -3.531 105 HB3 PHE 30 1HB PHE 30 -4.921 2.936 -3.261 106 HD1 PHE 30 1HD PHE 30 -2.954 4.751 -5.789 107 HD2 PHE 30 2HD PHE 30 -6.321 2.266 -5.052 108 HE1 PHE 30 1HE PHE 30 -3.173 4.337 -8.202 109 HE2 PHE 30 2HE PHE 30 -6.550 1.849 -7.454 110 HZ PHE 30 HZ PHE 30 -4.972 2.880 -9.035 111 H LEU 31 H LEU 31 -4.169 4.891 -1.034 112 HA LEU 31 HA LEU 31 -6.025 3.365 0.398 113 HB2 LEU 31 2HB LEU 31 -3.618 3.869 0.980 114 HB3 LEU 31 1HB LEU 31 -4.095 5.491 1.390 115 HG LEU 31 HG LEU 31 -3.622 4.149 3.348 116 HD11 LEU 31 1HD1 LEU 31 -6.539 4.814 3.202 117 HD12 LEU 31 2HD1 LEU 31 -5.225 5.887 3.683 118 HD13 LEU 31 3HD1 LEU 31 -5.627 4.486 4.676 119 HD21 LEU 31 3HD2 LEU 31 -5.015 2.269 3.999 120 HD22 LEU 31 1HD2 LEU 31 -4.133 1.972 2.504 121 HD23 LEU 31 2HD2 LEU 31 -5.854 2.364 2.451 122 H LEU 32 H LEU 32 -5.637 6.833 0.118 123 HA LEU 32 HA LEU 32 -7.687 7.584 1.858 124 HB2 LEU 32 2HB LEU 32 -6.918 9.159 -0.588 125 HB3 LEU 32 1HB LEU 32 -7.523 9.776 0.938 126 HG LEU 32 HG LEU 32 -4.894 8.487 0.465 127 HD11 LEU 32 1HD1 LEU 32 -3.936 10.752 0.855 128 HD12 LEU 32 2HD1 LEU 32 -5.565 11.394 1.005 129 HD13 LEU 32 3HD1 LEU 32 -5.021 10.732 -0.535 130 HD21 LEU 32 3HD2 LEU 32 -5.977 9.775 2.979 131 HD22 LEU 32 1HD2 LEU 32 -4.306 9.249 2.765 132 HD23 LEU 32 2HD2 LEU 32 -5.611 8.066 2.734 133 H HIS 33 H HIS 33 -7.583 7.118 -1.548 134 HA HIS 33 HA HIS 33 -10.317 7.767 -2.067 135 HB2 HIS 33 2HB HIS 33 -8.285 6.387 -3.789 136 HB3 HIS 33 1HB HIS 33 -9.957 6.592 -4.318 137 HD1 HIS 33 1HD HIS 33 -10.573 8.821 -5.233 138 HD2 HIS 33 2HD HIS 33 -6.997 8.863 -3.189 139 HE1 HIS 33 1HE HIS 33 -9.748 11.156 -5.373 140 HE2 HIS 33 2HE HIS 33 -8.008 11.047 -3.534 141 H ILE 34 H ILE 34 -8.740 4.834 -1.436 142 HA ILE 34 HA ILE 34 -10.912 3.095 -1.987 143 HB ILE 34 HB ILE 34 -8.602 2.729 -0.040 144 HG12 ILE 34 2HG1 ILE 34 -9.116 1.377 -2.697 145 HG13 ILE 34 1HG1 ILE 34 -8.105 2.804 -2.488 146 HG21 ILE 34 1HG2 ILE 34 -10.462 1.369 0.758 147 HG22 ILE 34 2HG2 ILE 34 -9.181 0.352 0.101 148 HG23 ILE 34 3HG2 ILE 34 -10.641 0.644 -0.839 149 HD11 ILE 34 3HD1 ILE 34 -6.575 1.567 -1.119 150 HD12 ILE 34 1HD1 ILE 34 -6.822 0.714 -2.640 151 HD13 ILE 34 2HD1 ILE 34 -7.616 0.153 -1.159 152 H THR 35 H THR 35 -9.958 4.715 0.980 153 HA THR 35 HA THR 35 -11.949 3.705 2.686 154 HB THR 35 HB THR 35 -10.831 6.464 2.753 155 HG1 THR 35 1HG THR 35 -8.997 4.994 2.617 156 HG21 THR 35 3HG2 THR 35 -11.012 6.192 5.196 157 HG22 THR 35 1HG2 THR 35 -11.667 4.574 4.934 158 HG23 THR 35 2HG2 THR 35 -12.561 5.986 4.369 159 H HIS 36 H HIS 36 -11.866 6.629 0.665 160 HA HIS 36 HA HIS 36 -14.441 7.570 1.403 161 HB2 HIS 36 2HB HIS 36 -12.580 8.278 -0.832 162 HB3 HIS 36 1HB HIS 36 -14.201 8.956 -0.768 163 HD1 HIS 36 1HD HIS 36 -10.820 9.225 0.778 164 HD2 HIS 36 2HD HIS 36 -14.640 10.751 1.379 165 HE1 HIS 36 1HE HIS 36 -10.538 11.192 2.293 166 HE2 HIS 36 2HE HIS 36 -12.867 11.914 2.842 167 H GLU 37 H GLU 37 -13.290 5.555 -1.248 168 HA GLU 37 HA GLU 37 -15.586 5.425 -2.747 169 HB2 GLU 37 2HB GLU 37 -13.242 4.540 -3.235 170 HB3 GLU 37 1HB GLU 37 -13.674 3.154 -2.248 171 HG2 GLU 37 2HG GLU 37 -14.036 2.496 -4.463 172 HG3 GLU 37 1HG GLU 37 -15.636 2.851 -3.797 173 H VAL 38 H VAL 38 -14.533 3.591 0.120 174 HA VAL 38 HA VAL 38 -16.549 1.711 0.277 175 HB VAL 38 HB VAL 38 -14.930 3.079 2.470 176 HG11 VAL 38 1HG1 VAL 38 -16.627 0.562 2.630 177 HG12 VAL 38 2HG1 VAL 38 -17.025 2.106 3.376 178 HG13 VAL 38 3HG1 VAL 38 -15.613 1.200 3.926 179 HG21 VAL 38 3HG2 VAL 38 -13.666 1.013 2.543 180 HG22 VAL 38 1HG2 VAL 38 -13.564 1.759 0.946 181 HG23 VAL 38 2HG2 VAL 38 -14.615 0.356 1.219 182 H ASP 39 H ASP 39 -16.243 4.911 1.658 183 HA ASP 39 HA ASP 39 -18.623 4.678 3.037 184 HB2 ASP 39 2HB ASP 39 -16.867 6.307 3.646 185 HB3 ASP 39 1HB ASP 39 -17.279 7.252 2.220 186 H ASP 40 H ASP 40 -17.822 5.996 -0.106 187 HA ASP 40 HA ASP 40 -20.310 7.124 -0.701 188 HB2 ASP 40 2HB ASP 40 -18.362 7.890 -1.868 189 HB3 ASP 40 1HB ASP 40 -17.987 6.279 -2.438 190 H LEU 41 H LEU 41 -18.841 3.968 -1.299 191 HA LEU 41 HA LEU 41 -20.987 3.220 -2.919 192 HB2 LEU 41 2HB LEU 41 -20.084 0.902 -2.796 193 HB3 LEU 41 1HB LEU 41 -18.972 2.098 -3.401 194 HG LEU 41 HG LEU 41 -18.035 2.111 -1.022 195 HD11 LEU 41 1HD1 LEU 41 -19.545 -0.451 -0.968 196 HD12 LEU 41 2HD1 LEU 41 -19.665 0.908 0.156 197 HD13 LEU 41 3HD1 LEU 41 -18.196 -0.069 0.102 198 HD21 LEU 41 3HD2 LEU 41 -16.810 1.302 -2.919 199 HD22 LEU 41 1HD2 LEU 41 -17.641 -0.249 -2.831 200 HD23 LEU 41 2HD2 LEU 41 -16.548 0.243 -1.536 201 H GLU 42 H GLU 42 -20.355 2.984 0.492 202 HA GLU 42 HA GLU 42 -22.374 1.181 1.053 203 HB2 GLU 42 2HB GLU 42 -21.278 3.362 2.807 204 HB3 GLU 42 1HB GLU 42 -22.407 2.137 3.360 205 HG2 GLU 42 2HG GLU 42 -20.769 0.400 2.800 206 HG3 GLU 42 1HG GLU 42 -19.636 1.658 2.302 207 H LYS 43 H LYS 43 -22.482 4.662 0.571 208 HA LYS 43 HA LYS 43 -25.282 4.650 1.339 209 HB2 LYS 43 2HB LYS 43 -25.253 7.124 0.922 210 HB3 LYS 43 1HB LYS 43 -24.096 6.581 2.106 211 HG2 LYS 43 2HG LYS 43 -23.019 8.262 0.841 212 HG3 LYS 43 1HG LYS 43 -22.333 6.735 0.311 213 HD2 LYS 43 2HD LYS 43 -22.723 8.204 -1.584 214 HD3 LYS 43 1HD LYS 43 -23.786 6.803 -1.680 215 HE2 LYS 43 2HE LYS 43 -25.635 8.139 -0.809 216 HE3 LYS 43 1HE LYS 43 -24.570 9.537 -0.660 217 HZ1 LYS 43 3HZ LYS 43 -25.279 8.152 -3.179 218 HZ2 LYS 43 1HZ LYS 43 -24.254 9.480 -3.043 219 HZ3 LYS 43 2HZ LYS 43 -25.893 9.637 -2.663 220 H THR 44 H THR 44 -23.571 4.048 -1.281 221 HA THR 44 HA THR 44 -25.445 4.924 -3.289 222 HB THR 44 HB THR 44 -22.733 3.841 -3.117 223 HG1 THR 44 1HG THR 44 -22.393 5.781 -3.218 224 HG21 THR 44 3HG2 THR 44 -24.152 4.054 -5.765 225 HG22 THR 44 1HG2 THR 44 -23.606 2.567 -4.929 226 HG23 THR 44 2HG2 THR 44 -22.414 3.766 -5.442 227 H GLY 45 H GLY 45 -24.293 1.894 -1.873 228 HA2 GLY 45 2HA GLY 45 -26.590 0.452 -2.086 229 HA3 GLY 45 1HA GLY 45 -25.810 0.218 -3.651 230 H ASN 46 H ASN 46 -23.287 0.041 -3.153 231 HA ASN 46 HA ASN 46 -21.478 -0.974 -2.333 232 HB2 ASN 46 2HB ASN 46 -21.181 -1.220 -0.056 233 HB3 ASN 46 1HB ASN 46 -22.712 -0.377 -0.027 234 HD21 ASN 46 1HD2 ASN 46 -21.536 -1.979 1.994 235 HD22 ASN 46 2HD2 ASN 46 -22.571 -3.301 2.326 236 H LYS 47 H LYS 47 -23.687 -2.256 -3.804 237 HA LYS 47 HA LYS 47 -23.986 -4.944 -3.060 238 HB2 LYS 47 2HB LYS 47 -24.229 -3.810 -5.838 239 HB3 LYS 47 1HB LYS 47 -24.954 -5.290 -5.234 240 HG2 LYS 47 2HG LYS 47 -26.409 -4.020 -3.768 241 HG3 LYS 47 1HG LYS 47 -25.615 -2.519 -4.242 242 HD2 LYS 47 2HD LYS 47 -27.667 -2.696 -5.449 243 HD3 LYS 47 1HD LYS 47 -26.346 -2.943 -6.581 244 HE2 LYS 47 2HE LYS 47 -28.090 -4.544 -7.043 245 HE3 LYS 47 1HE LYS 47 -26.698 -5.396 -6.393 246 HZ1 LYS 47 3HZ LYS 47 -29.146 -4.657 -4.871 247 HZ2 LYS 47 1HZ LYS 47 -27.816 -5.488 -4.237 248 HZ3 LYS 47 2HZ LYS 47 -28.741 -6.193 -5.431 249 H ASP 48 H ASP 48 -21.982 -3.510 -5.585 250 HA ASP 48 HA ASP 48 -20.325 -5.938 -5.531 251 HB2 ASP 48 2HB ASP 48 -21.571 -5.978 -7.592 252 HB3 ASP 48 1HB ASP 48 -21.121 -4.317 -7.953 253 H GLU 49 H GLU 49 -20.417 -2.500 -5.604 254 HA GLU 49 HA GLU 49 -17.773 -1.880 -6.528 255 HB2 GLU 49 2HB GLU 49 -19.133 -0.298 -4.373 256 HB3 GLU 49 1HB GLU 49 -18.083 0.272 -5.648 257 HG2 GLU 49 2HG GLU 49 -20.944 -0.594 -5.909 258 HG3 GLU 49 1HG GLU 49 -20.332 1.051 -5.956 259 H LYS 50 H LYS 50 -19.002 -2.721 -3.426 260 HA LYS 50 HA LYS 50 -16.680 -1.971 -2.007 261 HB2 LYS 50 2HB LYS 50 -18.931 -2.212 -1.068 262 HB3 LYS 50 1HB LYS 50 -18.813 -3.934 -1.303 263 HG2 LYS 50 2HG LYS 50 -17.435 -4.238 0.449 264 HG3 LYS 50 1HG LYS 50 -16.722 -2.623 0.317 265 HD2 LYS 50 2HD LYS 50 -18.480 -1.588 1.268 266 HD3 LYS 50 1HD LYS 50 -19.605 -2.938 0.958 267 HE2 LYS 50 2HE LYS 50 -17.324 -2.870 2.938 268 HE3 LYS 50 1HE LYS 50 -19.030 -2.718 3.337 269 HZ1 LYS 50 3HZ LYS 50 -18.046 -4.958 3.635 270 HZ2 LYS 50 1HZ LYS 50 -17.947 -5.108 1.955 271 HZ3 LYS 50 2HZ LYS 50 -19.451 -4.888 2.683 272 H ALA 51 H ALA 51 -17.870 -5.083 -3.050 273 HA ALA 51 HA ALA 51 -15.612 -6.561 -2.261 274 HB1 ALA 51 1HB ALA 51 -16.444 -8.329 -3.743 275 HB2 ALA 51 2HB ALA 51 -17.551 -7.178 -4.493 276 HB3 ALA 51 3HB ALA 51 -17.757 -7.623 -2.799 277 H ARG 52 H ARG 52 -16.385 -4.875 -5.248 278 HA ARG 52 HA ARG 52 -14.146 -5.794 -6.723 279 HB2 ARG 52 2HB ARG 52 -16.212 -4.854 -7.728 280 HB3 ARG 52 1HB ARG 52 -15.758 -3.273 -7.113 281 HG2 ARG 52 2HG ARG 52 -13.746 -3.305 -8.481 282 HG3 ARG 52 1HG ARG 52 -14.184 -4.900 -9.093 283 HD2 ARG 52 2HD ARG 52 -15.755 -2.358 -9.437 284 HD3 ARG 52 1HD ARG 52 -14.802 -3.173 -10.676 285 HE ARG 52 HE ARG 52 -17.139 -4.453 -9.413 286 HH11 ARG 52 1HH1 ARG 52 -15.391 -3.497 -12.334 287 HH12 ARG 52 2HH1 ARG 52 -16.530 -4.171 -13.392 288 HH21 ARG 52 1HH2 ARG 52 -18.617 -5.354 -10.761 289 HH22 ARG 52 2HH2 ARG 52 -18.441 -5.330 -12.470 290 H LEU 53 H LEU 53 -14.749 -2.833 -4.790 291 HA LEU 53 HA LEU 53 -12.315 -1.617 -5.212 292 HB2 LEU 53 2HB LEU 53 -14.114 -0.413 -4.301 293 HB3 LEU 53 1HB LEU 53 -14.341 -1.581 -3.016 294 HG LEU 53 HG LEU 53 -12.184 -1.027 -2.221 295 HD11 LEU 53 1HD1 LEU 53 -11.238 1.262 -2.820 296 HD12 LEU 53 2HD1 LEU 53 -12.393 1.315 -4.151 297 HD13 LEU 53 3HD1 LEU 53 -11.147 0.072 -4.112 298 HD21 LEU 53 3HD2 LEU 53 -12.916 1.101 -1.096 299 HD22 LEU 53 1HD2 LEU 53 -14.080 -0.226 -1.072 300 HD23 LEU 53 2HD2 LEU 53 -14.287 1.101 -2.208 301 H LEU 54 H LEU 54 -13.331 -4.038 -2.840 302 HA LEU 54 HA LEU 54 -10.904 -3.993 -1.439 303 HB2 LEU 54 2HB LEU 54 -12.899 -6.251 -1.640 304 HB3 LEU 54 1HB LEU 54 -11.552 -6.214 -0.517 305 HG LEU 54 HG LEU 54 -13.944 -4.386 -0.548 306 HD11 LEU 54 1HD1 LEU 54 -14.352 -5.281 1.676 307 HD12 LEU 54 2HD1 LEU 54 -12.985 -6.381 1.475 308 HD13 LEU 54 3HD1 LEU 54 -14.397 -6.519 0.422 309 HD21 LEU 54 3HD2 LEU 54 -12.951 -3.338 1.480 310 HD22 LEU 54 1HD2 LEU 54 -12.020 -3.020 0.020 311 HD23 LEU 54 2HD2 LEU 54 -11.468 -4.228 1.170 312 H ARG 55 H ARG 55 -11.877 -5.620 -4.307 313 HA ARG 55 HA ARG 55 -9.546 -7.263 -4.530 314 HB2 ARG 55 2HB ARG 55 -11.521 -7.795 -5.895 315 HB3 ARG 55 1HB ARG 55 -11.411 -6.235 -6.702 316 HG2 ARG 55 2HG ARG 55 -9.217 -6.896 -7.617 317 HG3 ARG 55 1HG ARG 55 -9.405 -8.469 -6.853 318 HD2 ARG 55 2HD ARG 55 -11.297 -7.330 -8.894 319 HD3 ARG 55 1HD ARG 55 -9.970 -8.419 -9.270 320 HE ARG 55 HE ARG 55 -12.030 -9.251 -7.366 321 HH11 ARG 55 1HH1 ARG 55 -10.421 -9.689 -10.478 322 HH12 ARG 55 2HH1 ARG 55 -11.212 -11.135 -10.867 323 HH21 ARG 55 1HH2 ARG 55 -13.121 -11.240 -7.873 324 HH22 ARG 55 2HH2 ARG 55 -12.787 -12.075 -9.311 325 H GLU 56 H GLU 56 -10.381 -3.992 -5.415 326 HA GLU 56 HA GLU 56 -8.056 -3.411 -6.839 327 HB2 GLU 56 2HB GLU 56 -9.946 -1.980 -7.136 328 HB3 GLU 56 1HB GLU 56 -10.028 -1.631 -5.416 329 HG2 GLU 56 2HG GLU 56 -8.115 -0.298 -5.486 330 HG3 GLU 56 1HG GLU 56 -7.683 -0.855 -7.109 331 H LEU 57 H LEU 57 -8.794 -3.163 -3.349 332 HA LEU 57 HA LEU 57 -6.267 -1.999 -2.884 333 HB2 LEU 57 2HB LEU 57 -6.590 -2.257 -0.496 334 HB3 LEU 57 1HB LEU 57 -8.077 -1.736 -1.226 335 HG LEU 57 HG LEU 57 -8.884 -4.143 -0.995 336 HD11 LEU 57 1HD1 LEU 57 -6.714 -5.220 -0.610 337 HD12 LEU 57 2HD1 LEU 57 -7.816 -5.488 0.742 338 HD13 LEU 57 3HD1 LEU 57 -6.524 -4.304 0.885 339 HD21 LEU 57 3HD2 LEU 57 -9.450 -3.789 1.354 340 HD22 LEU 57 1HD2 LEU 57 -9.652 -2.321 0.397 341 HD23 LEU 57 2HD2 LEU 57 -8.244 -2.507 1.442 342 H THR 58 H THR 58 -7.370 -5.157 -3.247 343 HA THR 58 HA THR 58 -5.136 -6.488 -2.289 344 HB THR 58 HB THR 58 -7.057 -7.387 -4.462 345 HG1 THR 58 1HG THR 58 -8.121 -6.874 -2.495 346 HG21 THR 58 3HG2 THR 58 -5.260 -9.011 -2.633 347 HG22 THR 58 1HG2 THR 58 -5.016 -8.775 -4.364 348 HG23 THR 58 2HG2 THR 58 -6.421 -9.669 -3.787 349 H VAL 59 H VAL 59 -5.872 -5.088 -5.457 350 HA VAL 59 HA VAL 59 -3.411 -6.027 -6.563 351 HB VAL 59 HB VAL 59 -5.394 -5.506 -8.069 352 HG11 VAL 59 1HG1 VAL 59 -5.785 -3.261 -8.864 353 HG12 VAL 59 2HG1 VAL 59 -4.597 -2.644 -7.720 354 HG13 VAL 59 3HG1 VAL 59 -6.081 -3.383 -7.124 355 HG21 VAL 59 3HG2 VAL 59 -2.788 -4.182 -8.778 356 HG22 VAL 59 1HG2 VAL 59 -4.064 -4.598 -9.925 357 HG23 VAL 59 2HG2 VAL 59 -3.226 -5.872 -9.038 358 H SER 60 H SER 60 -4.449 -3.024 -5.027 359 HA SER 60 HA SER 60 -2.092 -1.665 -5.575 360 HB2 SER 60 2HB SER 60 -2.709 -0.194 -3.609 361 HB3 SER 60 1HB SER 60 -3.929 -0.327 -4.871 362 HG SER 60 HG SER 60 -4.161 -2.172 -2.805 363 H GLU 61 H GLU 61 -2.866 -3.766 -2.940 364 HA GLU 61 HA GLU 61 -0.374 -3.375 -1.656 365 HB2 GLU 61 2HB GLU 61 -0.870 -5.347 -0.279 366 HB3 GLU 61 1HB GLU 61 -2.279 -4.314 -0.392 367 HG2 GLU 61 2HG GLU 61 -3.186 -5.821 -2.116 368 HG3 GLU 61 1HG GLU 61 -1.798 -6.875 -1.871 369 H ALA 62 H ALA 62 -1.473 -5.407 -4.247 370 HA ALA 62 HA ALA 62 0.681 -7.184 -4.302 371 HB1 ALA 62 1HB ALA 62 0.023 -7.741 -6.563 372 HB2 ALA 62 2HB ALA 62 -0.913 -6.253 -6.677 373 HB3 ALA 62 3HB ALA 62 -1.426 -7.522 -5.578 374 H PHE 63 H PHE 63 0.375 -4.013 -5.911 375 HA PHE 63 HA PHE 63 3.020 -4.493 -6.925 376 HB2 PHE 63 2HB PHE 63 3.005 -2.060 -7.729 377 HB3 PHE 63 1HB PHE 63 1.850 -3.155 -8.469 378 HD1 PHE 63 1HD PHE 63 2.210 -0.539 -5.873 379 HD2 PHE 63 2HD PHE 63 -0.366 -2.664 -8.491 380 HE1 PHE 63 1HE PHE 63 0.367 0.980 -5.300 381 HE2 PHE 63 2HE PHE 63 -2.198 -1.161 -7.927 382 HZ PHE 63 HZ PHE 63 -1.851 0.609 -6.307 383 H ILE 64 H ILE 64 1.735 -2.914 -4.148 384 HA ILE 64 HA ILE 64 4.147 -1.604 -3.522 385 HB ILE 64 HB ILE 64 1.665 -1.326 -2.503 386 HG12 ILE 64 2HG1 ILE 64 3.537 0.247 -2.112 387 HG13 ILE 64 1HG1 ILE 64 2.523 0.038 -0.696 388 HG21 ILE 64 1HG2 ILE 64 1.603 -3.487 -1.389 389 HG22 ILE 64 2HG2 ILE 64 1.441 -2.158 -0.237 390 HG23 ILE 64 3HG2 ILE 64 2.978 -3.011 -0.392 391 HD11 ILE 64 3HD1 ILE 64 4.211 -1.410 0.290 392 HD12 ILE 64 1HD1 ILE 64 4.875 0.171 -0.114 393 HD13 ILE 64 2HD1 ILE 64 5.219 -1.218 -1.146 394 H GLU 65 H GLU 65 2.925 -4.852 -2.824 395 HA GLU 65 HA GLU 65 5.102 -5.641 -1.204 396 HB2 GLU 65 2HB GLU 65 3.025 -7.126 -2.755 397 HB3 GLU 65 1HB GLU 65 4.358 -8.001 -2.013 398 HG2 GLU 65 2HG GLU 65 2.554 -6.144 -0.491 399 HG3 GLU 65 1HG GLU 65 2.245 -7.870 -0.675 400 H GLY 66 H GLY 66 4.574 -5.728 -4.672 401 HA2 GLY 66 2HA GLY 66 6.920 -7.154 -5.334 402 HA3 GLY 66 1HA GLY 66 6.060 -6.040 -6.394 403 H SER 67 H SER 67 6.267 -3.769 -4.728 404 HA SER 67 HA SER 67 8.807 -2.837 -5.523 405 HB2 SER 67 2HB SER 67 6.648 -1.484 -5.341 406 HB3 SER 67 1HB SER 67 6.890 -1.504 -3.600 407 HG SER 67 HG SER 67 9.168 -0.709 -4.480 408 H ARG 68 H ARG 68 7.358 -3.949 -2.518 409 HA ARG 68 HA ARG 68 9.622 -3.282 -0.983 410 HB2 ARG 68 2HB ARG 68 7.434 -5.269 -0.320 411 HB3 ARG 68 1HB ARG 68 8.675 -4.749 0.810 412 HG2 ARG 68 2HG ARG 68 7.833 -2.471 0.717 413 HG3 ARG 68 1HG ARG 68 6.628 -2.958 -0.474 414 HD2 ARG 68 2HD ARG 68 5.574 -2.842 1.675 415 HD3 ARG 68 1HD ARG 68 5.688 -4.532 1.193 416 HE ARG 68 HE ARG 68 7.707 -3.384 2.977 417 HH11 ARG 68 1HH1 ARG 68 5.197 -5.844 2.390 418 HH12 ARG 68 2HH1 ARG 68 5.340 -6.547 3.922 419 HH21 ARG 68 1HH2 ARG 68 7.909 -4.388 5.106 420 HH22 ARG 68 2HH2 ARG 68 6.916 -5.682 5.509 421 H GLY 69 H GLY 69 8.657 -6.157 -2.658 422 HA2 GLY 69 2HA GLY 69 10.820 -7.775 -1.882 423 HA3 GLY 69 1HA GLY 69 9.921 -7.920 -3.396 424 H TYR 70 H TYR 70 10.533 -5.084 -4.032 425 HA TYR 70 HA TYR 70 12.951 -5.569 -5.486 426 HB2 TYR 70 2HB TYR 70 11.273 -4.084 -6.498 427 HB3 TYR 70 1HB TYR 70 11.388 -2.985 -5.122 428 HD1 TYR 70 1HD TYR 70 13.136 -4.262 -8.084 429 HD2 TYR 70 2HD TYR 70 13.203 -1.395 -4.951 430 HE1 TYR 70 1HE TYR 70 14.967 -3.092 -9.203 431 HE2 TYR 70 2HE TYR 70 15.035 -0.207 -6.071 432 HH TYR 70 HH TYR 70 16.879 -0.913 -7.670 433 H PHE 71 H PHE 71 12.005 -3.530 -2.832 434 HA PHE 71 HA PHE 71 14.502 -2.492 -2.352 435 HB2 PHE 71 2HB PHE 71 12.160 -2.816 -0.500 436 HB3 PHE 71 1HB PHE 71 13.643 -2.018 0.011 437 HD1 PHE 71 1HD PHE 71 14.502 -0.308 -1.969 438 HD2 PHE 71 2HD PHE 71 10.474 -1.351 -1.092 439 HE1 PHE 71 1HE PHE 71 13.744 1.782 -3.007 440 HE2 PHE 71 2HE PHE 71 9.711 0.745 -2.134 441 HZ PHE 71 HZ PHE 71 11.343 2.310 -3.089 442 H GLN 72 H GLN 72 13.122 -5.501 -1.281 443 HA GLN 72 HA GLN 72 15.135 -6.089 0.613 444 HB2 GLN 72 2HB GLN 72 13.309 -7.934 -0.923 445 HB3 GLN 72 1HB GLN 72 14.394 -8.471 0.351 446 HG2 GLN 72 2HG GLN 72 12.127 -6.515 0.642 447 HG3 GLN 72 1HG GLN 72 12.132 -8.193 1.173 448 HE21 GLN 72 1HE2 GLN 72 14.893 -8.085 2.171 449 HE22 GLN 72 2HE2 GLN 72 14.833 -7.142 3.609 450 H ARG 73 H ARG 73 14.806 -6.888 -2.818 451 HA ARG 73 HA ARG 73 17.234 -8.390 -2.854 452 HB2 ARG 73 2HB ARG 73 16.952 -8.539 -5.250 453 HB3 ARG 73 1HB ARG 73 15.398 -8.782 -4.481 454 HG2 ARG 73 2HG ARG 73 15.293 -6.132 -4.963 455 HG3 ARG 73 1HG ARG 73 16.312 -6.667 -6.298 456 HD2 ARG 73 2HD ARG 73 13.605 -7.679 -5.541 457 HD3 ARG 73 1HD ARG 73 13.988 -6.707 -6.956 458 HE ARG 73 HE ARG 73 15.508 -9.108 -6.918 459 HH11 ARG 73 1HH1 ARG 73 12.286 -7.872 -7.835 460 HH12 ARG 73 2HH1 ARG 73 11.958 -9.195 -8.842 461 HH21 ARG 73 1HH2 ARG 73 15.011 -10.875 -8.273 462 HH22 ARG 73 2HH2 ARG 73 13.505 -10.951 -9.083 463 H GLU 74 H GLU 74 16.403 -5.068 -3.432 464 HA GLU 74 HA GLU 74 18.874 -4.194 -4.464 465 HB2 GLU 74 2HB GLU 74 16.638 -3.056 -4.659 466 HB3 GLU 74 1HB GLU 74 16.742 -2.679 -2.950 467 HG2 GLU 74 2HG GLU 74 17.314 -0.758 -4.149 468 HG3 GLU 74 1HG GLU 74 18.793 -1.404 -3.432 469 H LEU 75 H LEU 75 17.610 -4.722 -1.290 470 HA LEU 75 HA LEU 75 19.672 -3.421 0.147 471 HB2 LEU 75 2HB LEU 75 17.394 -4.017 1.022 472 HB3 LEU 75 1HB LEU 75 17.888 -5.693 1.035 473 HG LEU 75 HG LEU 75 19.614 -5.151 2.716 474 HD11 LEU 75 1HD1 LEU 75 18.345 -2.417 2.693 475 HD12 LEU 75 2HD1 LEU 75 19.966 -2.808 2.117 476 HD13 LEU 75 3HD1 LEU 75 19.569 -2.986 3.823 477 HD21 LEU 75 3HD2 LEU 75 18.089 -4.772 4.579 478 HD22 LEU 75 1HD2 LEU 75 17.421 -5.941 3.437 479 HD23 LEU 75 2HD2 LEU 75 16.827 -4.276 3.452 480 H LYS 76 H LYS 76 19.576 -6.252 -1.652 481 HA LYS 76 HA LYS 76 21.774 -7.593 -0.250 482 HB2 LYS 76 2HB LYS 76 19.965 -8.587 -2.454 483 HB3 LYS 76 1HB LYS 76 21.168 -9.547 -1.599 484 HG2 LYS 76 2HG LYS 76 19.940 -9.298 0.466 485 HG3 LYS 76 1HG LYS 76 18.769 -8.254 -0.336 486 HD2 LYS 76 2HD LYS 76 18.150 -10.088 -1.818 487 HD3 LYS 76 1HD LYS 76 19.308 -11.142 -1.006 488 HE2 LYS 76 2HE LYS 76 18.081 -10.835 1.100 489 HE3 LYS 76 1HE LYS 76 16.912 -9.822 0.257 490 HZ1 LYS 76 3HZ LYS 76 17.454 -12.677 -0.360 491 HZ2 LYS 76 1HZ LYS 76 16.303 -11.700 -1.101 492 HZ3 LYS 76 2HZ LYS 76 16.148 -12.102 0.519 493 H ARG 77 H ARG 77 21.245 -5.462 -2.605 494 HA ARG 77 HA ARG 77 22.425 -6.184 -4.982 495 HB2 ARG 77 2HB ARG 77 21.084 -4.206 -4.676 496 HB3 ARG 77 1HB ARG 77 22.297 -3.506 -3.630 497 HG2 ARG 77 2HG ARG 77 22.264 -2.483 -5.843 498 HG3 ARG 77 1HG ARG 77 23.808 -3.267 -5.492 499 HD2 ARG 77 2HD ARG 77 23.281 -5.090 -6.778 500 HD3 ARG 77 1HD ARG 77 21.597 -4.581 -7.026 501 HE ARG 77 HE ARG 77 23.407 -2.630 -7.982 502 HH11 ARG 77 1HH1 ARG 77 22.188 -5.830 -8.886 503 HH12 ARG 77 2HH1 ARG 77 22.398 -5.614 -10.554 504 HH21 ARG 77 1HH2 ARG 77 23.764 -2.342 -10.263 505 HH22 ARG 77 2HH2 ARG 77 23.322 -3.557 -11.368 506 H THR 78 H THR 78 24.087 -5.351 -2.019 507 HA THR 78 HA THR 78 26.239 -5.159 -1.414 508 HB THR 78 HB THR 78 26.913 -6.177 -4.199 509 HG1 THR 78 1HG THR 78 25.685 -7.375 -2.204 510 HG21 THR 78 3HG2 THR 78 28.849 -5.151 -3.064 511 HG22 THR 78 1HG2 THR 78 29.041 -6.900 -3.184 512 HG23 THR 78 2HG2 THR 78 28.560 -6.167 -1.652 513 H ASP 79 H ASP 79 25.518 -3.875 -4.567 514 HA ASP 79 HA ASP 79 27.266 -1.601 -4.209 515 HB2 ASP 79 2HB ASP 79 27.053 -2.559 -6.459 516 HB3 ASP 79 1HB ASP 79 25.321 -2.298 -6.436 517 H LEU 80 H LEU 80 26.098 -1.283 -2.222 518 HA LEU 80 HA LEU 80 24.390 1.076 -2.249 519 HB2 LEU 80 2HB LEU 80 22.517 0.175 -1.188 520 HB3 LEU 80 1HB LEU 80 22.843 -1.073 -2.353 521 HG LEU 80 HG LEU 80 23.849 -1.269 0.484 522 HD11 LEU 80 1HD1 LEU 80 21.277 -2.314 -0.657 523 HD12 LEU 80 2HD1 LEU 80 21.439 -1.038 0.565 524 HD13 LEU 80 3HD1 LEU 80 21.922 -2.691 0.939 525 HD21 LEU 80 3HD2 LEU 80 23.306 -3.347 -1.623 526 HD22 LEU 80 1HD2 LEU 80 23.891 -3.653 0.011 527 HD23 LEU 80 2HD2 LEU 80 24.894 -2.756 -1.129 528 H ASP 81 H ASP 81 24.440 2.026 -0.382 529 HA ASP 81 HA ASP 81 26.326 0.938 1.565 530 HB2 ASP 81 2HB ASP 81 25.905 3.800 0.696 531 HB3 ASP 81 1HB ASP 81 26.731 3.382 2.184 532 H LEU 82 H LEU 82 25.894 2.477 3.644 533 HA LEU 82 HA LEU 82 23.412 1.720 4.554 534 HB2 LEU 82 2HB LEU 82 23.830 3.179 6.539 535 HB3 LEU 82 1HB LEU 82 25.116 2.057 6.175 536 HG LEU 82 HG LEU 82 26.238 4.062 5.011 537 HD11 LEU 82 1HD1 LEU 82 25.705 6.247 5.944 538 HD12 LEU 82 2HD1 LEU 82 24.335 5.546 6.803 539 HD13 LEU 82 3HD1 LEU 82 24.343 5.578 5.040 540 HD21 LEU 82 3HD2 LEU 82 27.083 3.005 7.008 541 HD22 LEU 82 1HD2 LEU 82 25.962 3.940 8.000 542 HD23 LEU 82 2HD2 LEU 82 27.258 4.754 7.115 543 H LEU 83 H LEU 83 24.302 4.539 2.881 544 HA LEU 83 HA LEU 83 22.093 6.243 3.235 545 HB2 LEU 83 2HB LEU 83 23.633 5.560 0.736 546 HB3 LEU 83 1HB LEU 83 22.491 6.868 0.804 547 HG LEU 83 HG LEU 83 24.611 7.873 0.921 548 HD11 LEU 83 1HD1 LEU 83 23.607 7.742 3.736 549 HD12 LEU 83 2HD1 LEU 83 23.072 8.847 2.471 550 HD13 LEU 83 3HD1 LEU 83 24.723 8.944 3.089 551 HD21 LEU 83 3HD2 LEU 83 26.367 7.256 2.494 552 HD22 LEU 83 1HD2 LEU 83 25.943 5.913 1.428 553 HD23 LEU 83 2HD2 LEU 83 25.358 5.940 3.096 554 H GLU 84 H GLU 84 22.580 3.626 1.033 555 HA GLU 84 HA GLU 84 20.066 3.844 -0.219 556 HB2 GLU 84 2HB GLU 84 22.142 1.718 -0.096 557 HB3 GLU 84 1HB GLU 84 20.724 1.618 -1.144 558 HG2 GLU 84 2HG GLU 84 22.873 3.726 -1.218 559 HG3 GLU 84 1HG GLU 84 22.680 2.400 -2.366 560 H LYS 85 H LYS 85 21.460 1.769 2.177 561 HA LYS 85 HA LYS 85 19.333 0.053 2.718 562 HB2 LYS 85 2HB LYS 85 21.389 1.171 4.629 563 HB3 LYS 85 1HB LYS 85 20.299 -0.148 5.007 564 HG2 LYS 85 2HG LYS 85 21.324 -1.548 3.354 565 HG3 LYS 85 1HG LYS 85 22.313 -0.207 2.779 566 HD2 LYS 85 2HD LYS 85 23.602 -1.695 4.174 567 HD3 LYS 85 1HD LYS 85 23.484 -0.129 4.939 568 HE2 LYS 85 2HE LYS 85 23.214 -1.823 6.623 569 HE3 LYS 85 1HE LYS 85 21.669 -1.032 6.386 570 HZ1 LYS 85 3HZ LYS 85 20.884 -2.885 5.149 571 HZ2 LYS 85 1HZ LYS 85 21.553 -3.438 6.581 572 HZ3 LYS 85 2HZ LYS 85 22.414 -3.639 5.150 573 H PHE 86 H PHE 86 20.124 3.262 3.949 574 HA PHE 86 HA PHE 86 18.109 3.273 5.793 575 HB2 PHE 86 2HB PHE 86 19.921 4.812 6.076 576 HB3 PHE 86 1HB PHE 86 19.601 5.566 4.524 577 HD1 PHE 86 2HD PHE 86 18.159 5.076 7.909 578 HD2 PHE 86 1HD PHE 86 18.261 7.470 4.395 579 HE1 PHE 86 2HE PHE 86 16.775 6.776 9.032 580 HE2 PHE 86 1HE PHE 86 16.881 9.175 5.505 581 HZ PHE 86 HZ PHE 86 16.136 8.830 7.829 582 H ASN 87 H ASN 87 18.146 4.043 2.467 583 HA ASN 87 HA ASN 87 15.725 5.541 2.316 584 HB2 ASN 87 2HB ASN 87 17.508 5.915 0.690 585 HB3 ASN 87 1HB ASN 87 17.429 4.235 0.181 586 HD21 ASN 87 1HD2 ASN 87 15.912 7.338 0.047 587 HD22 ASN 87 2HD2 ASN 87 14.819 6.961 -1.246 588 H PHE 88 H PHE 88 16.766 2.244 1.754 589 HA PHE 88 HA PHE 88 14.229 1.389 0.720 590 HB2 PHE 88 2HB PHE 88 16.267 -0.465 1.946 591 HB3 PHE 88 1HB PHE 88 15.073 -0.840 0.717 592 HD1 PHE 88 1HD PHE 88 15.650 1.611 -1.050 593 HD2 PHE 88 2HD PHE 88 18.132 -1.262 0.864 594 HE1 PHE 88 1HE PHE 88 17.417 2.041 -2.693 595 HE2 PHE 88 2HE PHE 88 19.883 -0.829 -0.775 596 HZ PHE 88 HZ PHE 88 19.556 0.822 -2.501 597 H GLU 89 H GLU 89 15.915 1.349 3.797 598 HA GLU 89 HA GLU 89 13.997 -0.101 5.230 599 HB2 GLU 89 2HB GLU 89 16.299 0.325 5.999 600 HB3 GLU 89 1HB GLU 89 15.943 2.040 6.102 601 HG2 GLU 89 2HG GLU 89 15.873 1.170 8.269 602 HG3 GLU 89 1HG GLU 89 14.219 1.505 7.776 603 H ALA 90 H ALA 90 14.440 3.245 4.280 604 HA ALA 90 HA ALA 90 12.386 4.209 6.007 605 HB1 ALA 90 1HB ALA 90 14.082 5.740 5.111 606 HB2 ALA 90 2HB ALA 90 12.455 6.305 4.724 607 HB3 ALA 90 3HB ALA 90 13.431 5.514 3.486 608 H ALA 91 H ALA 91 12.484 3.302 2.644 609 HA ALA 91 HA ALA 91 9.758 3.849 2.065 610 HB1 ALA 91 1HB ALA 91 11.531 3.747 0.366 611 HB2 ALA 91 2HB ALA 91 10.194 2.657 -0.017 612 HB3 ALA 91 3HB ALA 91 11.701 2.023 0.659 613 H LEU 92 H LEU 92 11.443 0.959 3.131 614 HA LEU 92 HA LEU 92 9.307 -0.823 2.877 615 HB2 LEU 92 2HB LEU 92 11.612 -0.818 4.814 616 HB3 LEU 92 1HB LEU 92 10.427 -2.100 4.750 617 HG LEU 92 HG LEU 92 12.251 -1.335 2.467 618 HD11 LEU 92 1HD1 LEU 92 13.437 -3.406 3.002 619 HD12 LEU 92 2HD1 LEU 92 12.410 -3.627 4.417 620 HD13 LEU 92 3HD1 LEU 92 13.511 -2.253 4.335 621 HD21 LEU 92 3HD2 LEU 92 10.183 -2.352 1.685 622 HD22 LEU 92 1HD2 LEU 92 10.368 -3.663 2.854 623 HD23 LEU 92 2HD2 LEU 92 11.513 -3.497 1.530 624 H ALA 93 H ALA 93 10.181 1.348 5.506 625 HA ALA 93 HA ALA 93 8.122 0.392 7.195 626 HB1 ALA 93 1HB ALA 93 9.527 3.053 7.296 627 HB2 ALA 93 2HB ALA 93 10.096 1.574 8.066 628 HB3 ALA 93 3HB ALA 93 8.590 2.319 8.598 629 H THR 94 H THR 94 8.346 2.856 4.794 630 HA THR 94 HA THR 94 5.983 4.169 5.418 631 HB THR 94 HB THR 94 7.388 3.945 2.742 632 HG1 THR 94 1HG THR 94 8.768 4.816 4.331 633 HG21 THR 94 3HG2 THR 94 6.293 6.092 2.226 634 HG22 THR 94 1HG2 THR 94 5.439 6.025 3.769 635 HG23 THR 94 2HG2 THR 94 5.099 4.827 2.519 636 H GLY 95 H GLY 95 6.829 1.677 3.083 637 HA2 GLY 95 2HA GLY 95 4.280 1.251 1.992 638 HA3 GLY 95 1HA GLY 95 5.644 0.141 1.924 639 H ASP 96 H ASP 96 6.043 -0.339 4.612 640 HA ASP 96 HA ASP 96 4.223 -2.407 5.082 641 HB2 ASP 96 2HB ASP 96 6.513 -2.345 6.027 642 HB3 ASP 96 1HB ASP 96 6.010 -1.050 7.107 643 H LEU 97 H LEU 97 4.389 0.847 6.448 644 HA LEU 97 HA LEU 97 2.422 0.337 8.383 645 HB2 LEU 97 2HB LEU 97 2.398 2.641 8.922 646 HB3 LEU 97 1HB LEU 97 4.044 2.252 8.496 647 HG LEU 97 HG LEU 97 3.081 3.165 6.126 648 HD11 LEU 97 1HD1 LEU 97 1.865 5.229 6.547 649 HD12 LEU 97 2HD1 LEU 97 1.726 4.800 8.252 650 HD13 LEU 97 3HD1 LEU 97 0.941 3.804 7.025 651 HD21 LEU 97 3HD2 LEU 97 4.286 5.146 6.566 652 HD22 LEU 97 1HD2 LEU 97 5.117 3.713 7.174 653 HD23 LEU 97 2HD2 LEU 97 4.283 4.795 8.321 654 H LEU 98 H LEU 98 2.165 1.862 5.205 655 HA LEU 98 HA LEU 98 -0.649 2.182 5.464 656 HB2 LEU 98 2HB LEU 98 -0.634 2.747 3.086 657 HB3 LEU 98 1HB LEU 98 0.596 3.623 3.974 658 HG LEU 98 HG LEU 98 2.033 1.627 3.250 659 HD11 LEU 98 1HD1 LEU 98 0.419 0.333 2.075 660 HD12 LEU 98 2HD1 LEU 98 1.573 0.939 0.885 661 HD13 LEU 98 3HD1 LEU 98 -0.012 1.697 1.042 662 HD21 LEU 98 3HD2 LEU 98 1.402 3.982 1.467 663 HD22 LEU 98 1HD2 LEU 98 2.830 2.964 1.280 664 HD23 LEU 98 2HD2 LEU 98 2.608 3.908 2.751 665 H LEU 99 H LEU 99 1.418 -0.409 4.475 666 HA LEU 99 HA LEU 99 -0.467 -1.715 2.988 667 HB2 LEU 99 2HB LEU 99 1.969 -2.167 2.850 668 HB3 LEU 99 1HB LEU 99 1.911 -2.918 4.422 669 HG LEU 99 HG LEU 99 0.462 -4.052 2.013 670 HD11 LEU 99 1HD1 LEU 99 2.358 -5.559 1.789 671 HD12 LEU 99 2HD1 LEU 99 3.191 -4.717 3.092 672 HD13 LEU 99 3HD1 LEU 99 2.863 -3.883 1.574 673 HD21 LEU 99 3HD2 LEU 99 -0.239 -4.816 4.285 674 HD22 LEU 99 1HD2 LEU 99 1.406 -5.378 4.559 675 HD23 LEU 99 2HD2 LEU 99 0.416 -6.099 3.277 676 H LYS 100 H LYS 100 0.564 -1.805 6.286 677 HA LYS 100 HA LYS 100 -1.213 -3.787 7.119 678 HB2 LYS 100 2HB LYS 100 0.618 -1.886 8.498 679 HB3 LYS 100 1HB LYS 100 -0.664 -2.615 9.454 680 HG2 LYS 100 2HG LYS 100 1.509 -3.830 9.590 681 HG3 LYS 100 1HG LYS 100 0.176 -4.823 9.014 682 HD2 LYS 100 2HD LYS 100 0.974 -4.518 6.702 683 HD3 LYS 100 1HD LYS 100 2.306 -3.537 7.303 684 HE2 LYS 100 2HE LYS 100 1.827 -6.406 8.094 685 HE3 LYS 100 1HE LYS 100 2.901 -5.909 6.788 686 HZ1 LYS 100 3HZ LYS 100 4.049 -6.317 8.909 687 HZ2 LYS 100 1HZ LYS 100 3.192 -5.041 9.603 688 HZ3 LYS 100 2HZ LYS 100 4.267 -4.753 8.334 689 H ASP 101 H ASP 101 -1.413 -0.331 6.648 690 HA ASP 101 HA ASP 101 -3.846 -0.148 8.104 691 HB2 ASP 101 2HB ASP 101 -2.416 1.851 7.635 692 HB3 ASP 101 1HB ASP 101 -2.879 1.743 5.940 693 H LEU 102 H LEU 102 -3.009 -0.766 4.754 694 HA LEU 102 HA LEU 102 -5.501 -0.874 3.500 695 HB2 LEU 102 2HB LEU 102 -3.097 -2.670 3.109 696 HB3 LEU 102 1HB LEU 102 -4.505 -2.729 2.080 697 HG LEU 102 HG LEU 102 -2.743 -0.277 2.351 698 HD11 LEU 102 1HD1 LEU 102 -1.737 -0.957 0.255 699 HD12 LEU 102 2HD1 LEU 102 -2.789 -2.360 0.174 700 HD13 LEU 102 3HD1 LEU 102 -1.539 -2.283 1.409 701 HD21 LEU 102 3HD2 LEU 102 -5.035 0.143 1.537 702 HD22 LEU 102 1HD2 LEU 102 -4.793 -1.093 0.298 703 HD23 LEU 102 2HD2 LEU 102 -3.827 0.372 0.267 704 H LYS 103 H LYS 103 -3.785 -3.439 5.232 705 HA LYS 103 HA LYS 103 -5.834 -5.379 5.027 706 HB2 LYS 103 2HB LYS 103 -3.415 -5.112 6.732 707 HB3 LYS 103 1HB LYS 103 -4.652 -6.221 7.271 708 HG2 LYS 103 2HG LYS 103 -2.949 -7.436 6.090 709 HG3 LYS 103 1HG LYS 103 -4.428 -7.466 5.152 710 HD2 LYS 103 2HD LYS 103 -2.277 -5.455 4.583 711 HD3 LYS 103 1HD LYS 103 -2.153 -7.097 3.963 712 HE2 LYS 103 2HE LYS 103 -4.399 -5.149 3.415 713 HE3 LYS 103 1HE LYS 103 -3.090 -5.550 2.311 714 HZ1 LYS 103 3HZ LYS 103 -5.432 -7.241 3.041 715 HZ2 LYS 103 1HZ LYS 103 -3.951 -7.940 2.514 716 HZ3 LYS 103 2HZ LYS 103 -4.705 -6.839 1.567 717 H ALA 104 H ALA 104 -5.231 -2.876 7.421 718 HA ALA 104 HA ALA 104 -7.099 -3.882 9.280 719 HB1 ALA 104 1HB ALA 104 -5.251 -2.408 9.946 720 HB2 ALA 104 2HB ALA 104 -6.816 -1.736 10.414 721 HB3 ALA 104 3HB ALA 104 -5.965 -1.097 9.008 722 H LEU 105 H LEU 105 -7.219 -1.478 6.702 723 HA LEU 105 HA LEU 105 -9.806 -0.690 7.424 724 HB2 LEU 105 2HB LEU 105 -9.767 0.814 5.663 725 HB3 LEU 105 1HB LEU 105 -8.060 0.589 5.958 726 HG LEU 105 HG LEU 105 -8.432 -1.270 4.071 727 HD11 LEU 105 1HD1 LEU 105 -10.462 0.837 3.404 728 HD12 LEU 105 2HD1 LEU 105 -10.760 -0.868 3.747 729 HD13 LEU 105 3HD1 LEU 105 -9.870 -0.403 2.296 730 HD21 LEU 105 3HD2 LEU 105 -8.040 1.654 3.497 731 HD22 LEU 105 1HD2 LEU 105 -7.528 0.321 2.470 732 HD23 LEU 105 2HD2 LEU 105 -6.784 0.564 4.059 733 H GLN 106 H GLN 106 -8.410 -3.038 5.260 734 HA GLN 106 HA GLN 106 -10.705 -3.826 3.849 735 HB2 GLN 106 2HB GLN 106 -8.460 -4.511 3.158 736 HB3 GLN 106 1HB GLN 106 -8.248 -5.382 4.662 737 HG2 GLN 106 2HG GLN 106 -10.007 -6.923 4.035 738 HG3 GLN 106 1HG GLN 106 -10.241 -6.053 2.518 739 HE21 GLN 106 1HE2 GLN 106 -9.741 -7.902 1.321 740 HE22 GLN 106 2HE2 GLN 106 -8.117 -8.441 1.129 741 H LYS 107 H LYS 107 -9.424 -4.986 6.877 742 HA LYS 107 HA LYS 107 -11.485 -6.882 7.124 743 HB2 LYS 107 2HB LYS 107 -9.601 -5.734 9.177 744 HB3 LYS 107 1HB LYS 107 -10.669 -7.115 9.464 745 HG2 LYS 107 2HG LYS 107 -9.630 -8.366 7.710 746 HG3 LYS 107 1HG LYS 107 -8.632 -6.991 7.258 747 HD2 LYS 107 2HD LYS 107 -7.501 -7.141 9.430 748 HD3 LYS 107 1HD LYS 107 -8.498 -8.542 9.842 749 HE2 LYS 107 2HE LYS 107 -6.601 -8.340 7.504 750 HE3 LYS 107 1HE LYS 107 -6.310 -9.243 8.993 751 HZ1 LYS 107 3HZ LYS 107 -8.420 -9.816 6.955 752 HZ2 LYS 107 1HZ LYS 107 -8.258 -10.627 8.423 753 HZ3 LYS 107 2HZ LYS 107 -7.053 -10.744 7.282 754 H ARG 108 H ARG 108 -11.195 -3.593 7.991 755 HA ARG 108 HA ARG 108 -13.559 -3.390 9.588 756 HB2 ARG 108 2HB ARG 108 -11.976 -1.321 8.080 757 HB3 ARG 108 1HB ARG 108 -13.364 -0.939 9.082 758 HG2 ARG 108 2HG ARG 108 -12.214 -1.727 11.049 759 HG3 ARG 108 1HG ARG 108 -10.846 -2.259 10.068 760 HD2 ARG 108 2HD ARG 108 -10.392 -0.107 11.143 761 HD3 ARG 108 1HD ARG 108 -10.418 0.035 9.388 762 HE ARG 108 HE ARG 108 -12.918 0.612 10.699 763 HH11 ARG 108 1HH1 ARG 108 -9.909 2.004 9.438 764 HH12 ARG 108 2HH1 ARG 108 -10.521 3.589 9.377 765 HH21 ARG 108 1HH2 ARG 108 -13.730 2.731 10.585 766 HH22 ARG 108 2HH2 ARG 108 -12.751 4.031 10.044 767 H VAL 109 H VAL 109 -12.813 -2.835 6.207 768 HA VAL 109 HA VAL 109 -15.409 -2.060 5.570 769 HB VAL 109 HB VAL 109 -13.199 -3.090 3.749 770 HG11 VAL 109 1HG1 VAL 109 -14.442 -2.039 1.909 771 HG12 VAL 109 2HG1 VAL 109 -15.752 -1.669 3.018 772 HG13 VAL 109 3HG1 VAL 109 -15.362 -3.356 2.639 773 HG21 VAL 109 3HG2 VAL 109 -12.684 -1.056 4.955 774 HG22 VAL 109 1HG2 VAL 109 -14.168 -0.316 4.355 775 HG23 VAL 109 2HG2 VAL 109 -12.878 -0.755 3.228 776 H GLN 110 H GLN 110 -13.714 -5.110 5.492 777 HA GLN 110 HA GLN 110 -15.602 -6.802 4.353 778 HB2 GLN 110 2HB GLN 110 -13.267 -7.392 4.923 779 HB3 GLN 110 1HB GLN 110 -13.663 -7.270 6.627 780 HG2 GLN 110 2HG GLN 110 -13.557 -9.522 5.984 781 HG3 GLN 110 1HG GLN 110 -15.228 -9.105 6.377 782 HE21 GLN 110 1HE2 GLN 110 -16.141 -10.707 5.135 783 HE22 GLN 110 2HE2 GLN 110 -16.097 -10.723 3.406 784 H ASP 111 H ASP 111 -15.026 -5.735 7.641 785 HA ASP 111 HA ASP 111 -16.972 -7.117 8.928 786 HB2 ASP 111 2HB ASP 111 -15.206 -6.192 10.193 787 HB3 ASP 111 1HB ASP 111 -15.551 -4.567 9.625 788 H SER 112 H SER 112 -17.053 -3.865 7.512 789 HA SER 112 HA SER 112 -19.465 -2.944 8.474 790 HB2 SER 112 2HB SER 112 -18.179 -2.404 5.797 791 HB3 SER 112 1HB SER 112 -19.447 -1.426 6.537 792 HG SER 112 HG SER 112 -17.865 -0.410 7.351 793 H GLU 113 H GLU 113 -18.836 -5.203 5.909 794 HA GLU 113 HA GLU 113 -20.086 -6.415 4.507 795 HB2 GLU 113 2HB GLU 113 -22.220 -5.981 6.585 796 HB3 GLU 113 1HB GLU 113 -22.375 -7.101 5.239 797 HG2 GLU 113 2HG GLU 113 -20.429 -8.336 6.055 798 HG3 GLU 113 1HG GLU 113 -20.290 -7.210 7.402 Start of MODEL 11 1 H1 ASN 18 1HT ASN 18 12.988 10.889 3.651 2 H2 ASN 18 2HT ASN 18 11.775 9.847 4.164 3 H3 ASN 18 3HT ASN 18 12.061 11.254 5.030 4 HA ASN 18 HA ASN 18 10.078 11.444 3.785 5 HB2 ASN 18 2HB ASN 18 11.488 13.463 4.073 6 HB3 ASN 18 1HB ASN 18 12.276 13.112 2.540 7 HD21 ASN 18 1HD2 ASN 18 11.581 15.123 1.735 8 HD22 ASN 18 2HD2 ASN 18 9.948 15.359 1.238 9 H THR 19 H THR 19 12.826 10.655 1.575 10 HA THR 19 HA THR 19 11.269 10.538 -0.712 11 HB THR 19 HB THR 19 13.772 8.940 -0.134 12 HG1 THR 19 1HG THR 19 13.796 11.504 -1.287 13 HG21 THR 19 3HG2 THR 19 12.625 10.168 -2.658 14 HG22 THR 19 1HG2 THR 19 12.681 8.447 -2.290 15 HG23 THR 19 2HG2 THR 19 14.180 9.346 -2.560 16 H ALA 20 H ALA 20 11.640 8.248 1.884 17 HA ALA 20 HA ALA 20 10.725 5.944 0.523 18 HB1 ALA 20 1HB ALA 20 11.917 5.830 2.654 19 HB2 ALA 20 2HB ALA 20 10.355 5.014 2.745 20 HB3 ALA 20 3HB ALA 20 10.558 6.609 3.463 21 H THR 21 H THR 21 9.039 8.388 2.532 22 HA THR 21 HA THR 21 6.523 7.204 2.138 23 HB THR 21 HB THR 21 5.784 9.597 2.925 24 HG1 THR 21 1HG THR 21 7.359 10.891 3.286 25 HG21 THR 21 3HG2 THR 21 5.626 7.594 4.314 26 HG22 THR 21 1HG2 THR 21 6.221 8.950 5.270 27 HG23 THR 21 2HG2 THR 21 7.342 7.711 4.702 28 H GLN 22 H GLN 22 8.341 9.677 0.450 29 HA GLN 22 HA GLN 22 6.355 10.685 -1.248 30 HB2 GLN 22 2HB GLN 22 9.264 10.144 -1.824 31 HB3 GLN 22 1HB GLN 22 8.193 11.024 -2.898 32 HG2 GLN 22 2HG GLN 22 7.934 12.781 -1.298 33 HG3 GLN 22 1HG GLN 22 8.837 11.865 -0.090 34 HE21 GLN 22 1HE2 GLN 22 9.785 11.891 -3.453 35 HE22 GLN 22 2HE2 GLN 22 11.215 12.822 -3.228 36 H ARG 23 H ARG 23 8.376 7.835 -1.587 37 HA ARG 23 HA ARG 23 7.241 7.158 -4.111 38 HB2 ARG 23 2HB ARG 23 9.157 5.679 -2.319 39 HB3 ARG 23 1HB ARG 23 8.577 5.018 -3.844 40 HG2 ARG 23 2HG ARG 23 9.499 6.948 -5.039 41 HG3 ARG 23 1HG ARG 23 10.056 7.620 -3.514 42 HD2 ARG 23 2HD ARG 23 10.945 4.945 -4.580 43 HD3 ARG 23 1HD ARG 23 11.810 6.450 -4.877 44 HE ARG 23 HE ARG 23 11.323 5.999 -2.117 45 HH11 ARG 23 1HH1 ARG 23 13.495 5.029 -4.783 46 HH12 ARG 23 2HH1 ARG 23 14.852 4.810 -3.801 47 HH21 ARG 23 1HH2 ARG 23 13.281 5.600 -0.732 48 HH22 ARG 23 2HH2 ARG 23 14.722 5.127 -1.509 49 H PHE 24 H PHE 24 6.477 6.319 -0.812 50 HA PHE 24 HA PHE 24 4.650 4.288 -1.819 51 HB2 PHE 24 2HB PHE 24 5.703 4.837 0.944 52 HB3 PHE 24 1HB PHE 24 4.261 3.854 0.712 53 HD1 PHE 24 2HD PHE 24 6.514 3.511 -2.021 54 HD2 PHE 24 1HD PHE 24 5.808 2.134 1.957 55 HE1 PHE 24 2HE PHE 24 7.859 1.545 -2.465 56 HE2 PHE 24 1HE PHE 24 7.160 0.155 1.490 57 HZ PHE 24 HZ PHE 24 8.187 -0.153 -0.710 58 H HIS 25 H HIS 25 4.573 7.406 -1.438 59 HA HIS 25 HA HIS 25 2.132 7.992 -0.172 60 HB2 HIS 25 2HB HIS 25 3.895 9.649 -0.730 61 HB3 HIS 25 1HB HIS 25 3.506 9.465 -2.429 62 HD1 HIS 25 1HD HIS 25 2.050 11.229 -3.281 63 HD2 HIS 25 2HD HIS 25 1.483 10.614 0.774 64 HE1 HIS 25 1HE HIS 25 0.437 13.010 -2.544 65 HE2 HIS 25 2HE HIS 25 0.550 12.847 -0.051 66 H GLU 26 H GLU 26 2.935 6.752 -3.252 67 HA GLU 26 HA GLU 26 0.543 7.279 -4.635 68 HB2 GLU 26 2HB GLU 26 2.578 6.609 -5.766 69 HB3 GLU 26 1HB GLU 26 2.555 5.057 -4.949 70 HG2 GLU 26 2HG GLU 26 0.634 4.359 -6.153 71 HG3 GLU 26 1HG GLU 26 0.388 5.979 -6.810 72 H ILE 27 H ILE 27 1.584 4.639 -2.567 73 HA ILE 27 HA ILE 27 -0.806 3.153 -2.977 74 HB ILE 27 HB ILE 27 1.252 2.805 -0.745 75 HG12 ILE 27 2HG1 ILE 27 1.873 0.702 -2.110 76 HG13 ILE 27 1HG1 ILE 27 0.960 1.417 -3.424 77 HG21 ILE 27 1HG2 ILE 27 0.246 0.592 -0.405 78 HG22 ILE 27 2HG2 ILE 27 -0.948 0.946 -1.650 79 HG23 ILE 27 3HG2 ILE 27 -0.930 1.879 -0.154 80 HD11 ILE 27 3HD1 ILE 27 2.516 3.312 -3.455 81 HD12 ILE 27 1HD1 ILE 27 3.343 1.769 -3.692 82 HD13 ILE 27 2HD1 ILE 27 3.418 2.576 -2.129 83 H GLU 28 H GLU 28 0.346 5.505 -0.676 84 HA GLU 28 HA GLU 28 -1.765 5.438 1.164 85 HB2 GLU 28 2HB GLU 28 0.281 6.786 1.514 86 HB3 GLU 28 1HB GLU 28 -0.186 7.835 0.192 87 HG2 GLU 28 2HG GLU 28 -2.147 8.572 1.431 88 HG3 GLU 28 1HG GLU 28 -1.739 7.481 2.747 89 H LYS 29 H LYS 29 -1.411 7.119 -1.908 90 HA LYS 29 HA LYS 29 -3.878 8.417 -1.941 91 HB2 LYS 29 2HB LYS 29 -2.117 7.468 -4.172 92 HB3 LYS 29 1HB LYS 29 -3.690 8.181 -4.504 93 HG2 LYS 29 2HG LYS 29 -3.014 10.190 -3.309 94 HG3 LYS 29 1HG LYS 29 -1.416 9.490 -3.037 95 HD2 LYS 29 2HD LYS 29 -0.969 9.464 -5.391 96 HD3 LYS 29 1HD LYS 29 -2.636 9.903 -5.757 97 HE2 LYS 29 2HE LYS 29 -0.675 11.633 -4.254 98 HE3 LYS 29 1HE LYS 29 -1.090 11.813 -5.959 99 HZ1 LYS 29 3HZ LYS 29 -3.008 12.101 -3.684 100 HZ2 LYS 29 1HZ LYS 29 -3.379 12.262 -5.322 101 HZ3 LYS 29 2HZ LYS 29 -2.344 13.353 -4.569 102 H PHE 30 H PHE 30 -2.981 5.228 -3.123 103 HA PHE 30 HA PHE 30 -5.508 4.481 -4.044 104 HB2 PHE 30 2HB PHE 30 -3.142 2.970 -3.114 105 HB3 PHE 30 1HB PHE 30 -4.657 2.102 -3.360 106 HD1 PHE 30 2HD PHE 30 -2.033 4.088 -5.024 107 HD2 PHE 30 1HD PHE 30 -5.490 1.674 -5.539 108 HE1 PHE 30 2HE PHE 30 -1.588 3.988 -7.441 109 HE2 PHE 30 1HE PHE 30 -5.060 1.570 -7.967 110 HZ PHE 30 HZ PHE 30 -3.104 2.726 -8.917 111 H LEU 31 H LEU 31 -4.115 4.123 -0.834 112 HA LEU 31 HA LEU 31 -6.319 2.754 0.254 113 HB2 LEU 31 2HB LEU 31 -4.410 4.600 1.695 114 HB3 LEU 31 1HB LEU 31 -5.476 3.437 2.452 115 HG LEU 31 HG LEU 31 -3.111 2.816 0.690 116 HD11 LEU 31 1HD1 LEU 31 -2.160 1.866 2.734 117 HD12 LEU 31 2HD1 LEU 31 -3.556 2.447 3.645 118 HD13 LEU 31 3HD1 LEU 31 -2.461 3.596 2.875 119 HD21 LEU 31 3HD2 LEU 31 -3.521 0.474 1.270 120 HD22 LEU 31 1HD2 LEU 31 -4.878 1.156 0.377 121 HD23 LEU 31 2HD2 LEU 31 -4.988 0.937 2.125 122 H LEU 32 H LEU 32 -5.610 6.232 0.146 123 HA LEU 32 HA LEU 32 -8.008 6.763 1.466 124 HB2 LEU 32 2HB LEU 32 -7.699 9.170 0.930 125 HB3 LEU 32 1HB LEU 32 -6.316 8.433 1.692 126 HG LEU 32 HG LEU 32 -5.368 8.268 -0.695 127 HD11 LEU 32 1HD1 LEU 32 -6.104 10.027 -2.231 128 HD12 LEU 32 2HD1 LEU 32 -7.437 10.415 -1.143 129 HD13 LEU 32 3HD1 LEU 32 -7.374 8.838 -1.933 130 HD21 LEU 32 3HD2 LEU 32 -4.434 9.692 1.020 131 HD22 LEU 32 1HD2 LEU 32 -5.657 10.922 0.697 132 HD23 LEU 32 2HD2 LEU 32 -4.449 10.539 -0.527 133 H HIS 33 H HIS 33 -7.271 6.460 -1.920 134 HA HIS 33 HA HIS 33 -9.729 7.369 -2.984 135 HB2 HIS 33 2HB HIS 33 -8.011 5.086 -3.963 136 HB3 HIS 33 1HB HIS 33 -9.444 5.647 -4.798 137 HD1 HIS 33 1HD HIS 33 -9.075 8.548 -5.034 138 HD2 HIS 33 2HD HIS 33 -5.936 5.883 -5.333 139 HE1 HIS 33 1HE HIS 33 -7.310 9.732 -6.303 140 HE2 HIS 33 2HE HIS 33 -5.709 7.852 -6.833 141 H ILE 34 H ILE 34 -8.659 4.203 -2.029 142 HA ILE 34 HA ILE 34 -11.083 2.926 -2.555 143 HB ILE 34 HB ILE 34 -8.801 2.104 -0.739 144 HG12 ILE 34 2HG1 ILE 34 -9.594 1.270 -3.544 145 HG13 ILE 34 1HG1 ILE 34 -8.320 2.406 -3.140 146 HG21 ILE 34 1HG2 ILE 34 -9.708 -0.173 -0.791 147 HG22 ILE 34 2HG2 ILE 34 -11.113 0.394 -1.688 148 HG23 ILE 34 3HG2 ILE 34 -10.853 0.933 -0.030 149 HD11 ILE 34 3HD1 ILE 34 -7.363 0.300 -3.695 150 HD12 ILE 34 1HD1 ILE 34 -8.409 -0.521 -2.537 151 HD13 ILE 34 2HD1 ILE 34 -7.150 0.572 -1.961 152 H THR 35 H THR 35 -9.926 4.364 0.439 153 HA THR 35 HA THR 35 -12.103 3.665 2.093 154 HB THR 35 HB THR 35 -10.531 6.212 2.095 155 HG1 THR 35 1HG THR 35 -9.106 4.389 2.206 156 HG21 THR 35 3HG2 THR 35 -12.456 6.265 3.609 157 HG22 THR 35 1HG2 THR 35 -10.946 6.264 4.523 158 HG23 THR 35 2HG2 THR 35 -11.884 4.784 4.386 159 H HIS 36 H HIS 36 -11.562 6.481 -0.021 160 HA HIS 36 HA HIS 36 -13.968 7.868 0.465 161 HB2 HIS 36 2HB HIS 36 -12.002 8.952 -0.487 162 HB3 HIS 36 1HB HIS 36 -12.050 7.885 -1.875 163 HD1 HIS 36 1HD HIS 36 -13.621 8.494 -3.778 164 HD2 HIS 36 2HD HIS 36 -13.880 11.080 -0.541 165 HE1 HIS 36 1HE HIS 36 -14.837 10.511 -4.622 166 HE2 HIS 36 2HE HIS 36 -14.734 12.146 -2.747 167 H GLU 37 H GLU 37 -13.046 5.436 -1.858 168 HA GLU 37 HA GLU 37 -15.443 5.475 -3.321 169 HB2 GLU 37 2HB GLU 37 -13.023 3.795 -3.263 170 HB3 GLU 37 1HB GLU 37 -14.470 3.067 -3.938 171 HG2 GLU 37 2HG GLU 37 -13.133 4.042 -5.672 172 HG3 GLU 37 1HG GLU 37 -14.673 4.887 -5.497 173 H VAL 38 H VAL 38 -14.365 3.578 -0.572 174 HA VAL 38 HA VAL 38 -16.510 1.830 -0.364 175 HB VAL 38 HB VAL 38 -14.891 3.192 1.814 176 HG11 VAL 38 1HG1 VAL 38 -15.746 1.390 3.328 177 HG12 VAL 38 2HG1 VAL 38 -16.745 0.779 2.012 178 HG13 VAL 38 3HG1 VAL 38 -17.087 2.361 2.709 179 HG21 VAL 38 3HG2 VAL 38 -13.770 1.028 1.972 180 HG22 VAL 38 1HG2 VAL 38 -13.595 1.757 0.375 181 HG23 VAL 38 2HG2 VAL 38 -14.741 0.437 0.632 182 H ASP 39 H ASP 39 -16.047 5.114 0.690 183 HA ASP 39 HA ASP 39 -18.488 5.391 1.927 184 HB2 ASP 39 2HB ASP 39 -16.788 6.996 2.411 185 HB3 ASP 39 1HB ASP 39 -16.639 7.436 0.716 186 H ASP 40 H ASP 40 -17.410 5.990 -1.360 187 HA ASP 40 HA ASP 40 -19.728 7.173 -2.364 188 HB2 ASP 40 2HB ASP 40 -17.542 7.238 -3.540 189 HB3 ASP 40 1HB ASP 40 -17.705 5.524 -3.885 190 H LEU 41 H LEU 41 -18.616 3.827 -2.312 191 HA LEU 41 HA LEU 41 -20.872 2.915 -3.685 192 HB2 LEU 41 2HB LEU 41 -20.157 0.622 -3.101 193 HB3 LEU 41 1HB LEU 41 -18.943 1.575 -3.905 194 HG LEU 41 HG LEU 41 -18.032 1.993 -1.554 195 HD11 LEU 41 1HD1 LEU 41 -19.860 1.062 -0.274 196 HD12 LEU 41 2HD1 LEU 41 -18.370 0.175 0.030 197 HD13 LEU 41 3HD1 LEU 41 -19.607 -0.516 -1.020 198 HD21 LEU 41 3HD2 LEU 41 -16.700 -0.068 -1.717 199 HD22 LEU 41 1HD2 LEU 41 -16.860 0.803 -3.245 200 HD23 LEU 41 2HD2 LEU 41 -17.830 -0.636 -2.954 201 H GLU 42 H GLU 42 -20.199 3.359 -0.335 202 HA GLU 42 HA GLU 42 -22.396 2.074 0.638 203 HB2 GLU 42 2HB GLU 42 -20.685 4.274 1.632 204 HB3 GLU 42 1HB GLU 42 -22.255 4.089 2.402 205 HG2 GLU 42 2HG GLU 42 -20.369 1.779 2.106 206 HG3 GLU 42 1HG GLU 42 -20.274 2.899 3.466 207 H LYS 43 H LYS 43 -22.195 5.163 -1.045 208 HA LYS 43 HA LYS 43 -25.061 5.372 -0.558 209 HB2 LYS 43 2HB LYS 43 -25.006 7.738 -1.266 210 HB3 LYS 43 1HB LYS 43 -24.003 7.420 0.124 211 HG2 LYS 43 2HG LYS 43 -22.886 9.020 -1.215 212 HG3 LYS 43 1HG LYS 43 -22.018 7.503 -1.435 213 HD2 LYS 43 2HD LYS 43 -22.814 7.243 -3.622 214 HD3 LYS 43 1HD LYS 43 -24.172 8.331 -3.358 215 HE2 LYS 43 2HE LYS 43 -22.475 9.357 -4.793 216 HE3 LYS 43 1HE LYS 43 -22.654 10.239 -3.286 217 HZ1 LYS 43 3HZ LYS 43 -20.632 8.987 -2.501 218 HZ2 LYS 43 1HZ LYS 43 -20.387 10.082 -3.749 219 HZ3 LYS 43 2HZ LYS 43 -20.414 8.480 -4.128 220 H THR 44 H THR 44 -23.010 4.352 -2.818 221 HA THR 44 HA THR 44 -24.689 4.957 -5.110 222 HB THR 44 HB THR 44 -21.923 3.897 -4.786 223 HG1 THR 44 1HG THR 44 -21.248 5.808 -5.440 224 HG21 THR 44 3HG2 THR 44 -23.338 4.475 -7.357 225 HG22 THR 44 1HG2 THR 44 -22.857 2.882 -6.701 226 HG23 THR 44 2HG2 THR 44 -21.608 4.083 -7.106 227 H GLY 45 H GLY 45 -22.909 2.049 -4.045 228 HA2 GLY 45 2HA GLY 45 -25.108 0.278 -4.338 229 HA3 GLY 45 1HA GLY 45 -24.114 0.259 -5.791 230 H ASN 46 H ASN 46 -23.926 -0.024 -2.322 231 HA ASN 46 HA ASN 46 -21.290 -0.884 -2.174 232 HB2 ASN 46 2HB ASN 46 -21.704 -1.392 0.184 233 HB3 ASN 46 1HB ASN 46 -22.368 0.152 -0.271 234 HD21 ASN 46 1HD2 ASN 46 -23.627 0.015 1.672 235 HD22 ASN 46 2HD2 ASN 46 -25.075 -0.916 1.720 236 H LYS 47 H LYS 47 -24.178 -2.732 -2.671 237 HA LYS 47 HA LYS 47 -23.289 -5.008 -1.453 238 HB2 LYS 47 2HB LYS 47 -25.122 -6.239 -2.306 239 HB3 LYS 47 1HB LYS 47 -25.672 -4.598 -2.071 240 HG2 LYS 47 2HG LYS 47 -24.871 -5.718 -4.759 241 HG3 LYS 47 1HG LYS 47 -26.510 -5.764 -4.132 242 HD2 LYS 47 2HD LYS 47 -26.534 -3.327 -4.052 243 HD3 LYS 47 1HD LYS 47 -24.887 -3.279 -4.707 244 HE2 LYS 47 2HE LYS 47 -25.655 -4.357 -6.739 245 HE3 LYS 47 1HE LYS 47 -27.273 -4.534 -6.068 246 HZ1 LYS 47 3HZ LYS 47 -27.458 -2.113 -6.021 247 HZ2 LYS 47 1HZ LYS 47 -27.182 -2.688 -7.564 248 HZ3 LYS 47 2HZ LYS 47 -25.936 -1.946 -6.727 249 H ASP 48 H ASP 48 -22.560 -3.933 -4.599 250 HA ASP 48 HA ASP 48 -21.447 -6.565 -5.317 251 HB2 ASP 48 2HB ASP 48 -23.243 -5.634 -6.780 252 HB3 ASP 48 1HB ASP 48 -22.198 -4.268 -7.135 253 H GLU 49 H GLU 49 -20.921 -3.113 -5.353 254 HA GLU 49 HA GLU 49 -18.345 -3.146 -6.594 255 HB2 GLU 49 2HB GLU 49 -20.145 -1.354 -6.650 256 HB3 GLU 49 1HB GLU 49 -19.614 -0.940 -5.034 257 HG2 GLU 49 2HG GLU 49 -17.464 -0.332 -5.810 258 HG3 GLU 49 1HG GLU 49 -17.796 -0.986 -7.418 259 H LYS 50 H LYS 50 -19.343 -3.148 -3.229 260 HA LYS 50 HA LYS 50 -16.841 -2.264 -2.282 261 HB2 LYS 50 2HB LYS 50 -19.141 -2.579 -1.017 262 HB3 LYS 50 1HB LYS 50 -18.511 -4.176 -0.672 263 HG2 LYS 50 2HG LYS 50 -17.012 -1.638 0.061 264 HG3 LYS 50 1HG LYS 50 -18.120 -2.434 1.148 265 HD2 LYS 50 2HD LYS 50 -16.024 -4.050 -0.085 266 HD3 LYS 50 1HD LYS 50 -15.538 -2.810 1.068 267 HE2 LYS 50 2HE LYS 50 -15.883 -4.897 2.305 268 HE3 LYS 50 1HE LYS 50 -17.164 -3.784 2.713 269 HZ1 LYS 50 3HZ LYS 50 -18.170 -5.827 2.418 270 HZ2 LYS 50 1HZ LYS 50 -17.361 -6.210 0.990 271 HZ3 LYS 50 2HZ LYS 50 -18.587 -5.051 1.032 272 H ALA 51 H ALA 51 -17.997 -5.490 -3.012 273 HA ALA 51 HA ALA 51 -15.670 -6.846 -2.117 274 HB1 ALA 51 1HB ALA 51 -16.477 -8.739 -3.451 275 HB2 ALA 51 2HB ALA 51 -17.663 -7.682 -4.226 276 HB3 ALA 51 3HB ALA 51 -17.773 -8.020 -2.499 277 H ARG 52 H ARG 52 -16.616 -5.546 -5.238 278 HA ARG 52 HA ARG 52 -14.426 -6.380 -6.818 279 HB2 ARG 52 2HB ARG 52 -16.542 -5.381 -7.672 280 HB3 ARG 52 1HB ARG 52 -16.059 -3.842 -6.994 281 HG2 ARG 52 2HG ARG 52 -15.421 -3.528 -9.147 282 HG3 ARG 52 1HG ARG 52 -13.941 -4.214 -8.482 283 HD2 ARG 52 2HD ARG 52 -16.071 -5.686 -10.011 284 HD3 ARG 52 1HD ARG 52 -14.511 -5.186 -10.646 285 HE ARG 52 HE ARG 52 -14.705 -7.124 -8.431 286 HH11 ARG 52 1HH1 ARG 52 -13.507 -6.316 -11.679 287 HH12 ARG 52 2HH1 ARG 52 -12.786 -7.825 -11.941 288 HH21 ARG 52 1HH2 ARG 52 -13.740 -9.187 -8.799 289 HH22 ARG 52 2HH2 ARG 52 -12.939 -9.546 -10.256 290 H LEU 53 H LEU 53 -15.045 -3.333 -5.105 291 HA LEU 53 HA LEU 53 -12.620 -2.140 -5.548 292 HB2 LEU 53 2HB LEU 53 -14.544 -0.943 -4.817 293 HB3 LEU 53 1HB LEU 53 -14.625 -1.883 -3.336 294 HG LEU 53 HG LEU 53 -12.453 -1.133 -2.846 295 HD11 LEU 53 1HD1 LEU 53 -11.673 -0.221 -4.964 296 HD12 LEU 53 2HD1 LEU 53 -11.725 1.130 -3.833 297 HD13 LEU 53 3HD1 LEU 53 -13.012 0.924 -5.017 298 HD21 LEU 53 3HD2 LEU 53 -14.663 0.898 -2.881 299 HD22 LEU 53 1HD2 LEU 53 -13.202 1.093 -1.917 300 HD23 LEU 53 2HD2 LEU 53 -14.273 -0.270 -1.617 301 H LEU 54 H LEU 54 -13.601 -4.437 -3.028 302 HA LEU 54 HA LEU 54 -11.256 -4.155 -1.523 303 HB2 LEU 54 2HB LEU 54 -13.067 -6.545 -1.726 304 HB3 LEU 54 1HB LEU 54 -11.689 -6.470 -0.652 305 HG LEU 54 HG LEU 54 -14.211 -4.864 -0.537 306 HD11 LEU 54 1HD1 LEU 54 -14.343 -7.059 0.427 307 HD12 LEU 54 2HD1 LEU 54 -14.321 -5.853 1.723 308 HD13 LEU 54 3HD1 LEU 54 -12.872 -6.773 1.352 309 HD21 LEU 54 3HD2 LEU 54 -11.682 -4.458 1.073 310 HD22 LEU 54 1HD2 LEU 54 -13.234 -3.702 1.418 311 HD23 LEU 54 2HD2 LEU 54 -12.387 -3.309 -0.063 312 H ARG 55 H ARG 55 -11.938 -5.970 -4.355 313 HA ARG 55 HA ARG 55 -9.477 -7.463 -4.257 314 HB2 ARG 55 2HB ARG 55 -11.348 -8.165 -5.748 315 HB3 ARG 55 1HB ARG 55 -11.071 -6.728 -6.730 316 HG2 ARG 55 2HG ARG 55 -8.740 -7.517 -7.107 317 HG3 ARG 55 1HG ARG 55 -9.175 -9.017 -6.296 318 HD2 ARG 55 2HD ARG 55 -10.900 -9.403 -7.977 319 HD3 ARG 55 1HD ARG 55 -10.432 -7.909 -8.789 320 HE ARG 55 HE ARG 55 -8.396 -9.926 -8.341 321 HH11 ARG 55 1HH1 ARG 55 -10.329 -8.079 -10.632 322 HH12 ARG 55 2HH1 ARG 55 -9.743 -8.828 -12.023 323 HH21 ARG 55 1HH2 ARG 55 -7.416 -10.902 -10.251 324 HH22 ARG 55 2HH2 ARG 55 -7.960 -10.477 -11.797 325 H GLU 56 H GLU 56 -10.470 -4.354 -5.413 326 HA GLU 56 HA GLU 56 -8.108 -3.695 -6.764 327 HB2 GLU 56 2HB GLU 56 -10.301 -2.532 -6.995 328 HB3 GLU 56 1HB GLU 56 -10.043 -1.819 -5.411 329 HG2 GLU 56 2HG GLU 56 -8.069 -0.697 -6.220 330 HG3 GLU 56 1HG GLU 56 -8.295 -1.437 -7.807 331 H LEU 57 H LEU 57 -8.973 -3.581 -3.322 332 HA LEU 57 HA LEU 57 -6.532 -2.226 -2.819 333 HB2 LEU 57 2HB LEU 57 -6.823 -2.564 -0.389 334 HB3 LEU 57 1HB LEU 57 -8.194 -1.794 -1.109 335 HG LEU 57 HG LEU 57 -9.375 -4.030 -0.952 336 HD11 LEU 57 1HD1 LEU 57 -8.510 -5.634 0.651 337 HD12 LEU 57 2HD1 LEU 57 -7.054 -4.660 0.848 338 HD13 LEU 57 3HD1 LEU 57 -7.388 -5.435 -0.702 339 HD21 LEU 57 3HD2 LEU 57 -8.433 -2.617 1.529 340 HD22 LEU 57 1HD2 LEU 57 -9.805 -3.721 1.455 341 HD23 LEU 57 2HD2 LEU 57 -9.841 -2.216 0.544 342 H THR 58 H THR 58 -7.447 -5.525 -3.084 343 HA THR 58 HA THR 58 -5.141 -6.621 -2.033 344 HB THR 58 HB THR 58 -6.717 -7.723 -4.375 345 HG1 THR 58 1HG THR 58 -7.194 -8.130 -1.589 346 HG21 THR 58 3HG2 THR 58 -4.657 -8.942 -3.846 347 HG22 THR 58 1HG2 THR 58 -6.073 -9.891 -3.399 348 HG23 THR 58 2HG2 THR 58 -5.146 -9.053 -2.154 349 H VAL 59 H VAL 59 -5.821 -5.315 -5.246 350 HA VAL 59 HA VAL 59 -3.234 -6.012 -6.185 351 HB VAL 59 HB VAL 59 -5.139 -5.538 -7.786 352 HG11 VAL 59 1HG1 VAL 59 -5.588 -3.274 -8.535 353 HG12 VAL 59 2HG1 VAL 59 -4.562 -2.654 -7.242 354 HG13 VAL 59 3HG1 VAL 59 -6.039 -3.527 -6.847 355 HG21 VAL 59 3HG2 VAL 59 -2.907 -5.751 -8.645 356 HG22 VAL 59 1HG2 VAL 59 -2.576 -4.054 -8.290 357 HG23 VAL 59 2HG2 VAL 59 -3.755 -4.483 -9.530 358 H SER 60 H SER 60 -4.536 -3.176 -4.598 359 HA SER 60 HA SER 60 -2.248 -1.550 -4.711 360 HB2 SER 60 2HB SER 60 -4.320 -1.714 -2.498 361 HB3 SER 60 1HB SER 60 -3.236 -0.354 -2.795 362 HG SER 60 HG SER 60 -5.377 -1.265 -4.457 363 H GLU 61 H GLU 61 -3.060 -4.121 -2.904 364 HA GLU 61 HA GLU 61 -1.145 -4.101 -0.742 365 HB2 GLU 61 2HB GLU 61 -3.219 -5.437 -0.713 366 HB3 GLU 61 1HB GLU 61 -2.652 -6.354 -2.090 367 HG2 GLU 61 2HG GLU 61 -2.369 -7.740 -0.283 368 HG3 GLU 61 1HG GLU 61 -0.761 -7.090 -0.617 369 H ALA 62 H ALA 62 -1.373 -5.447 -3.947 370 HA ALA 62 HA ALA 62 1.117 -6.780 -3.954 371 HB1 ALA 62 1HB ALA 62 0.796 -7.047 -6.359 372 HB2 ALA 62 2HB ALA 62 -0.526 -5.880 -6.319 373 HB3 ALA 62 3HB ALA 62 -0.687 -7.423 -5.483 374 H PHE 63 H PHE 63 0.188 -3.467 -4.715 375 HA PHE 63 HA PHE 63 2.667 -2.788 -5.946 376 HB2 PHE 63 2HB PHE 63 1.217 -0.786 -4.200 377 HB3 PHE 63 1HB PHE 63 2.218 -0.459 -5.601 378 HD1 PHE 63 2HD PHE 63 0.942 -2.550 -7.429 379 HD2 PHE 63 1HD PHE 63 -0.656 0.377 -4.803 380 HE1 PHE 63 2HE PHE 63 -1.162 -2.582 -8.670 381 HE2 PHE 63 1HE PHE 63 -2.756 0.338 -6.036 382 HZ PHE 63 HZ PHE 63 -3.043 -1.176 -7.880 383 H ILE 64 H ILE 64 1.589 -2.686 -2.584 384 HA ILE 64 HA ILE 64 4.102 -1.881 -1.592 385 HB ILE 64 HB ILE 64 1.784 -3.258 -0.251 386 HG12 ILE 64 2HG1 ILE 64 1.648 -0.862 -0.714 387 HG13 ILE 64 1HG1 ILE 64 1.635 -1.216 1.016 388 HG21 ILE 64 1HG2 ILE 64 3.723 -4.229 0.839 389 HG22 ILE 64 2HG2 ILE 64 2.919 -3.086 1.920 390 HG23 ILE 64 3HG2 ILE 64 4.408 -2.624 1.095 391 HD11 ILE 64 3HD1 ILE 64 4.006 -0.534 1.170 392 HD12 ILE 64 1HD1 ILE 64 3.008 0.763 0.533 393 HD13 ILE 64 2HD1 ILE 64 4.023 -0.170 -0.548 394 H GLU 65 H GLU 65 2.790 -5.138 -1.911 395 HA GLU 65 HA GLU 65 5.024 -6.567 -1.030 396 HB2 GLU 65 2HB GLU 65 3.021 -7.220 -3.182 397 HB3 GLU 65 1HB GLU 65 4.253 -8.351 -2.660 398 HG2 GLU 65 2HG GLU 65 2.182 -7.156 -0.832 399 HG3 GLU 65 1HG GLU 65 2.002 -8.706 -1.655 400 H GLY 66 H GLY 66 4.346 -5.404 -4.317 401 HA2 GLY 66 2HA GLY 66 6.685 -6.469 -5.481 402 HA3 GLY 66 1HA GLY 66 5.690 -5.179 -6.150 403 H SER 67 H SER 67 5.986 -3.365 -4.004 404 HA SER 67 HA SER 67 8.464 -2.232 -4.789 405 HB2 SER 67 2HB SER 67 6.531 -1.357 -2.636 406 HB3 SER 67 1HB SER 67 7.859 -0.396 -3.292 407 HG SER 67 HG SER 67 5.478 -1.239 -4.517 408 H ARG 68 H ARG 68 7.317 -4.040 -2.004 409 HA ARG 68 HA ARG 68 9.630 -3.430 -0.525 410 HB2 ARG 68 2HB ARG 68 7.672 -5.696 -0.085 411 HB3 ARG 68 1HB ARG 68 8.987 -5.306 1.014 412 HG2 ARG 68 2HG ARG 68 7.976 -3.074 1.360 413 HG3 ARG 68 1HG ARG 68 6.623 -3.568 0.341 414 HD2 ARG 68 2HD ARG 68 6.002 -3.854 2.651 415 HD3 ARG 68 1HD ARG 68 6.194 -5.443 1.914 416 HE ARG 68 HE ARG 68 8.618 -4.998 2.954 417 HH11 ARG 68 1HH1 ARG 68 5.372 -5.050 4.372 418 HH12 ARG 68 2HH1 ARG 68 5.918 -5.233 5.978 419 HH21 ARG 68 1HH2 ARG 68 9.366 -5.252 5.141 420 HH22 ARG 68 2HH2 ARG 68 8.261 -5.341 6.418 421 H GLY 69 H GLY 69 8.726 -6.123 -2.533 422 HA2 GLY 69 2HA GLY 69 11.123 -7.541 -2.212 423 HA3 GLY 69 1HA GLY 69 10.059 -7.615 -3.619 424 H TYR 70 H TYR 70 10.305 -4.661 -3.923 425 HA TYR 70 HA TYR 70 12.348 -4.747 -5.926 426 HB2 TYR 70 2HB TYR 70 10.344 -3.329 -6.231 427 HB3 TYR 70 1HB TYR 70 10.776 -2.404 -4.807 428 HD1 TYR 70 1HD TYR 70 12.634 -0.765 -4.896 429 HD2 TYR 70 2HD TYR 70 11.430 -2.941 -8.354 430 HE1 TYR 70 1HE TYR 70 13.851 0.816 -6.306 431 HE2 TYR 70 2HE TYR 70 12.666 -1.357 -9.771 432 HH TYR 70 HH TYR 70 13.429 1.029 -9.598 433 H PHE 71 H PHE 71 11.944 -3.025 -2.918 434 HA PHE 71 HA PHE 71 14.472 -1.955 -2.985 435 HB2 PHE 71 2HB PHE 71 12.595 -2.319 -0.658 436 HB3 PHE 71 1HB PHE 71 14.141 -1.477 -0.526 437 HD1 PHE 71 1HD PHE 71 14.489 0.258 -2.588 438 HD2 PHE 71 2HD PHE 71 10.773 -0.933 -0.918 439 HE1 PHE 71 1HE PHE 71 13.467 2.328 -3.419 440 HE2 PHE 71 2HE PHE 71 9.744 1.136 -1.749 441 HZ PHE 71 HZ PHE 71 11.082 2.767 -3.001 442 H GLN 72 H GLN 72 13.298 -4.948 -1.627 443 HA GLN 72 HA GLN 72 15.613 -5.773 -0.370 444 HB2 GLN 72 2HB GLN 72 13.507 -7.401 -1.779 445 HB3 GLN 72 1HB GLN 72 14.823 -8.127 -0.868 446 HG2 GLN 72 2HG GLN 72 12.842 -6.182 0.298 447 HG3 GLN 72 1HG GLN 72 12.665 -7.933 0.367 448 HE21 GLN 72 1HE2 GLN 72 12.694 -7.892 2.591 449 HE22 GLN 72 2HE2 GLN 72 14.132 -7.631 3.516 450 H ARG 73 H ARG 73 14.797 -6.320 -3.877 451 HA ARG 73 HA ARG 73 17.419 -7.403 -4.114 452 HB2 ARG 73 2HB ARG 73 17.248 -7.673 -6.514 453 HB3 ARG 73 1HB ARG 73 15.776 -8.232 -5.769 454 HG2 ARG 73 2HG ARG 73 15.997 -5.515 -7.019 455 HG3 ARG 73 1HG ARG 73 15.618 -6.949 -7.966 456 HD2 ARG 73 2HD ARG 73 14.091 -5.833 -5.649 457 HD3 ARG 73 1HD ARG 73 13.618 -5.764 -7.341 458 HE ARG 73 HE ARG 73 13.855 -8.281 -5.815 459 HH11 ARG 73 1HH1 ARG 73 12.120 -6.291 -8.194 460 HH12 ARG 73 2HH1 ARG 73 10.828 -7.379 -8.355 461 HH21 ARG 73 1HH2 ARG 73 12.058 -9.743 -6.014 462 HH22 ARG 73 2HH2 ARG 73 10.779 -9.380 -7.075 463 H GLU 74 H GLU 74 16.240 -4.206 -4.462 464 HA GLU 74 HA GLU 74 18.522 -3.173 -5.690 465 HB2 GLU 74 2HB GLU 74 16.614 -1.795 -3.807 466 HB3 GLU 74 1HB GLU 74 17.850 -0.970 -4.747 467 HG2 GLU 74 2HG GLU 74 15.479 -2.486 -5.798 468 HG3 GLU 74 1HG GLU 74 15.759 -0.748 -5.873 469 H LEU 75 H LEU 75 17.849 -4.015 -2.417 470 HA LEU 75 HA LEU 75 20.080 -2.780 -1.237 471 HB2 LEU 75 2HB LEU 75 17.994 -3.559 -0.072 472 HB3 LEU 75 1HB LEU 75 18.512 -5.204 -0.296 473 HG LEU 75 HG LEU 75 20.133 -3.260 1.362 474 HD11 LEU 75 1HD1 LEU 75 17.852 -3.270 2.241 475 HD12 LEU 75 2HD1 LEU 75 18.948 -4.130 3.323 476 HD13 LEU 75 3HD1 LEU 75 17.866 -5.035 2.267 477 HD21 LEU 75 3HD2 LEU 75 19.841 -6.268 1.436 478 HD22 LEU 75 1HD2 LEU 75 20.894 -5.302 2.471 479 HD23 LEU 75 2HD2 LEU 75 21.202 -5.390 0.737 480 H LYS 76 H LYS 76 19.766 -5.411 -3.276 481 HA LYS 76 HA LYS 76 22.204 -6.751 -2.411 482 HB2 LYS 76 2HB LYS 76 20.176 -7.591 -4.484 483 HB3 LYS 76 1HB LYS 76 21.537 -8.549 -3.911 484 HG2 LYS 76 2HG LYS 76 20.588 -8.655 -1.694 485 HG3 LYS 76 1HG LYS 76 19.273 -7.590 -2.178 486 HD2 LYS 76 2HD LYS 76 18.475 -9.859 -2.151 487 HD3 LYS 76 1HD LYS 76 18.553 -9.297 -3.816 488 HE2 LYS 76 2HE LYS 76 20.627 -10.487 -4.169 489 HE3 LYS 76 1HE LYS 76 20.665 -10.971 -2.474 490 HZ1 LYS 76 3HZ LYS 76 18.715 -12.278 -2.802 491 HZ2 LYS 76 1HZ LYS 76 19.856 -12.716 -3.951 492 HZ3 LYS 76 2HZ LYS 76 18.546 -11.757 -4.402 493 H ARG 77 H ARG 77 21.351 -4.315 -4.462 494 HA ARG 77 HA ARG 77 22.718 -4.857 -6.884 495 HB2 ARG 77 2HB ARG 77 22.100 -2.236 -5.549 496 HB3 ARG 77 1HB ARG 77 22.751 -2.371 -7.169 497 HG2 ARG 77 2HG ARG 77 20.207 -3.610 -6.270 498 HG3 ARG 77 1HG ARG 77 20.270 -2.006 -7.031 499 HD2 ARG 77 2HD ARG 77 21.285 -3.103 -9.011 500 HD3 ARG 77 1HD ARG 77 21.098 -4.659 -8.198 501 HE ARG 77 HE ARG 77 18.624 -3.365 -8.244 502 HH11 ARG 77 1HH1 ARG 77 20.889 -4.773 -10.553 503 HH12 ARG 77 2HH1 ARG 77 19.680 -5.299 -11.630 504 HH21 ARG 77 1HH2 ARG 77 17.034 -4.002 -9.636 505 HH22 ARG 77 2HH2 ARG 77 17.359 -4.806 -11.102 506 H THR 78 H THR 78 23.888 -3.862 -3.800 507 HA THR 78 HA THR 78 25.911 -3.487 -2.931 508 HB THR 78 HB THR 78 27.144 -4.153 -5.643 509 HG1 THR 78 1HG THR 78 26.263 -6.062 -5.243 510 HG21 THR 78 3HG2 THR 78 29.086 -4.864 -4.297 511 HG22 THR 78 1HG2 THR 78 28.232 -4.417 -2.822 512 HG23 THR 78 2HG2 THR 78 28.704 -3.173 -3.977 513 H ASP 79 H ASP 79 24.736 -1.757 -5.541 514 HA ASP 79 HA ASP 79 26.684 0.323 -5.771 515 HB2 ASP 79 2HB ASP 79 25.016 -0.137 -7.540 516 HB3 ASP 79 1HB ASP 79 23.736 0.404 -6.459 517 H LEU 80 H LEU 80 23.949 -0.249 -3.710 518 HA LEU 80 HA LEU 80 23.393 2.284 -2.605 519 HB2 LEU 80 2HB LEU 80 22.210 1.091 -0.990 520 HB3 LEU 80 1HB LEU 80 22.043 0.115 -2.435 521 HG LEU 80 HG LEU 80 24.091 -0.482 -0.315 522 HD11 LEU 80 1HD1 LEU 80 22.537 -2.047 0.673 523 HD12 LEU 80 2HD1 LEU 80 21.337 -1.632 -0.542 524 HD13 LEU 80 3HD1 LEU 80 21.806 -0.433 0.652 525 HD21 LEU 80 3HD2 LEU 80 23.936 -2.760 -1.218 526 HD22 LEU 80 1HD2 LEU 80 24.429 -1.598 -2.451 527 HD23 LEU 80 2HD2 LEU 80 22.771 -2.196 -2.413 528 H ASP 81 H ASP 81 23.794 2.977 -0.926 529 HA ASP 81 HA ASP 81 26.315 2.402 0.458 530 HB2 ASP 81 2HB ASP 81 26.268 4.597 -0.824 531 HB3 ASP 81 1HB ASP 81 24.892 5.084 0.152 532 H LEU 82 H LEU 82 25.907 3.463 2.861 533 HA LEU 82 HA LEU 82 23.818 2.005 4.003 534 HB2 LEU 82 2HB LEU 82 25.281 4.397 5.137 535 HB3 LEU 82 1HB LEU 82 24.233 3.341 6.060 536 HG LEU 82 HG LEU 82 26.855 2.562 4.780 537 HD11 LEU 82 1HD1 LEU 82 26.055 2.872 7.662 538 HD12 LEU 82 2HD1 LEU 82 27.121 3.943 6.756 539 HD13 LEU 82 3HD1 LEU 82 27.610 2.282 7.084 540 HD21 LEU 82 3HD2 LEU 82 24.921 0.921 6.423 541 HD22 LEU 82 1HD2 LEU 82 26.544 0.419 5.948 542 HD23 LEU 82 2HD2 LEU 82 25.314 0.686 4.718 543 H LEU 83 H LEU 83 24.003 5.160 2.732 544 HA LEU 83 HA LEU 83 21.677 6.455 3.614 545 HB2 LEU 83 2HB LEU 83 22.936 6.347 0.954 546 HB3 LEU 83 1HB LEU 83 21.829 7.598 1.488 547 HG LEU 83 HG LEU 83 24.576 7.057 2.612 548 HD11 LEU 83 1HD1 LEU 83 23.414 9.248 0.997 549 HD12 LEU 83 2HD1 LEU 83 24.448 7.936 0.421 550 HD13 LEU 83 3HD1 LEU 83 25.111 9.154 1.549 551 HD21 LEU 83 3HD2 LEU 83 23.052 7.884 4.347 552 HD22 LEU 83 1HD2 LEU 83 22.570 9.211 3.288 553 HD23 LEU 83 2HD2 LEU 83 24.223 9.117 3.891 554 H GLU 84 H GLU 84 22.203 4.468 0.751 555 HA GLU 84 HA GLU 84 19.490 4.694 -0.069 556 HB2 GLU 84 2HB GLU 84 21.745 2.960 -1.014 557 HB3 GLU 84 1HB GLU 84 20.127 2.859 -1.723 558 HG2 GLU 84 2HG GLU 84 21.951 5.252 -1.672 559 HG3 GLU 84 1HG GLU 84 21.555 4.252 -3.071 560 H LYS 85 H LYS 85 21.414 2.346 1.548 561 HA LYS 85 HA LYS 85 19.612 0.275 1.875 562 HB2 LYS 85 2HB LYS 85 22.004 0.139 2.467 563 HB3 LYS 85 1HB LYS 85 21.745 1.340 3.708 564 HG2 LYS 85 2HG LYS 85 20.365 -0.193 4.958 565 HG3 LYS 85 1HG LYS 85 20.536 -1.404 3.687 566 HD2 LYS 85 2HD LYS 85 22.892 -1.563 4.048 567 HD3 LYS 85 1HD LYS 85 22.865 -0.190 5.153 568 HE2 LYS 85 2HE LYS 85 21.443 -2.796 5.608 569 HE3 LYS 85 1HE LYS 85 23.018 -2.381 6.285 570 HZ1 LYS 85 3HZ LYS 85 21.912 -0.459 7.378 571 HZ2 LYS 85 1HZ LYS 85 21.353 -1.967 7.894 572 HZ3 LYS 85 2HZ LYS 85 20.414 -1.052 6.849 573 H PHE 86 H PHE 86 20.082 3.327 3.585 574 HA PHE 86 HA PHE 86 18.388 2.650 5.669 575 HB2 PHE 86 2HB PHE 86 20.064 4.406 5.946 576 HB3 PHE 86 1HB PHE 86 19.264 5.390 4.731 577 HD1 PHE 86 2HD PHE 86 18.915 3.979 8.127 578 HD2 PHE 86 1HD PHE 86 17.496 6.850 5.325 579 HE1 PHE 86 2HE PHE 86 17.598 5.055 9.905 580 HE2 PHE 86 1HE PHE 86 16.180 7.934 7.096 581 HZ PHE 86 HZ PHE 86 16.228 7.036 9.389 582 H ASN 87 H ASN 87 17.879 4.062 2.604 583 HA ASN 87 HA ASN 87 15.231 4.984 3.073 584 HB2 ASN 87 2HB ASN 87 16.939 4.813 0.617 585 HB3 ASN 87 1HB ASN 87 15.214 5.125 0.480 586 HD21 ASN 87 1HD2 ASN 87 18.283 6.385 1.633 587 HD22 ASN 87 2HD2 ASN 87 17.765 7.997 1.803 588 H PHE 88 H PHE 88 16.713 2.087 1.801 589 HA PHE 88 HA PHE 88 14.304 0.945 0.830 590 HB2 PHE 88 2HB PHE 88 16.692 -0.558 1.916 591 HB3 PHE 88 1HB PHE 88 15.484 -1.208 0.831 592 HD1 PHE 88 2HD PHE 88 15.411 1.347 -0.940 593 HD2 PHE 88 1HD PHE 88 18.543 -1.086 0.584 594 HE1 PHE 88 2HE PHE 88 16.862 2.082 -2.764 595 HE2 PHE 88 1HE PHE 88 19.996 -0.335 -1.242 596 HZ PHE 88 HZ PHE 88 19.165 1.251 -2.876 597 H GLU 89 H GLU 89 16.085 0.652 3.851 598 HA GLU 89 HA GLU 89 14.162 -0.988 5.055 599 HB2 GLU 89 2HB GLU 89 16.269 0.792 6.297 600 HB3 GLU 89 1HB GLU 89 15.334 -0.420 7.163 601 HG2 GLU 89 2HG GLU 89 16.270 -2.162 5.692 602 HG3 GLU 89 1HG GLU 89 17.256 -0.934 4.904 603 H ALA 90 H ALA 90 14.565 2.440 4.618 604 HA ALA 90 HA ALA 90 12.646 3.150 6.587 605 HB1 ALA 90 1HB ALA 90 12.544 5.365 5.532 606 HB2 ALA 90 2HB ALA 90 13.390 4.730 4.124 607 HB3 ALA 90 3HB ALA 90 14.219 4.822 5.679 608 H ALA 91 H ALA 91 12.447 2.563 3.143 609 HA ALA 91 HA ALA 91 9.683 3.100 2.902 610 HB1 ALA 91 1HB ALA 91 9.892 2.149 0.684 611 HB2 ALA 91 2HB ALA 91 11.457 1.451 1.120 612 HB3 ALA 91 3HB ALA 91 11.276 3.196 1.029 613 H LEU 92 H LEU 92 11.490 0.117 3.420 614 HA LEU 92 HA LEU 92 9.311 -1.644 3.204 615 HB2 LEU 92 2HB LEU 92 11.692 -1.906 5.053 616 HB3 LEU 92 1HB LEU 92 10.598 -3.201 4.626 617 HG LEU 92 HG LEU 92 12.534 -1.805 2.783 618 HD11 LEU 92 1HD1 LEU 92 12.510 -4.604 3.887 619 HD12 LEU 92 2HD1 LEU 92 13.612 -3.309 4.345 620 HD13 LEU 92 3HD1 LEU 92 13.659 -3.970 2.712 621 HD21 LEU 92 3HD2 LEU 92 11.871 -3.501 1.126 622 HD22 LEU 92 1HD2 LEU 92 10.537 -2.429 1.556 623 HD23 LEU 92 2HD2 LEU 92 10.608 -4.057 2.225 624 H ALA 93 H ALA 93 10.474 0.251 5.906 625 HA ALA 93 HA ALA 93 8.683 -0.836 7.796 626 HB1 ALA 93 1HB ALA 93 10.775 0.246 8.440 627 HB2 ALA 93 2HB ALA 93 9.395 1.058 9.193 628 HB3 ALA 93 3HB ALA 93 10.186 1.769 7.788 629 H THR 94 H THR 94 8.550 1.791 5.515 630 HA THR 94 HA THR 94 6.347 3.072 6.685 631 HB THR 94 HB THR 94 7.470 3.238 3.873 632 HG1 THR 94 1HG THR 94 8.885 3.864 5.587 633 HG21 THR 94 3HG2 THR 94 6.297 5.393 3.710 634 HG22 THR 94 1HG2 THR 94 5.597 5.137 5.310 635 HG23 THR 94 2HG2 THR 94 5.151 4.077 3.972 636 H GLY 95 H GLY 95 6.908 0.827 4.036 637 HA2 GLY 95 2HA GLY 95 4.270 0.631 3.134 638 HA3 GLY 95 1HA GLY 95 5.575 -0.508 2.816 639 H ASP 96 H ASP 96 6.128 -1.089 5.550 640 HA ASP 96 HA ASP 96 4.324 -3.214 5.909 641 HB2 ASP 96 2HB ASP 96 6.681 -3.150 6.756 642 HB3 ASP 96 1HB ASP 96 6.128 -2.055 8.025 643 H LEU 97 H LEU 97 4.581 -0.074 7.472 644 HA LEU 97 HA LEU 97 2.591 -0.558 9.419 645 HB2 LEU 97 2HB LEU 97 3.522 2.056 8.253 646 HB3 LEU 97 1HB LEU 97 2.501 1.899 9.669 647 HG LEU 97 HG LEU 97 5.347 0.965 9.400 648 HD11 LEU 97 1HD1 LEU 97 4.103 3.157 11.037 649 HD12 LEU 97 2HD1 LEU 97 5.149 3.363 9.631 650 HD13 LEU 97 3HD1 LEU 97 5.788 2.646 11.112 651 HD21 LEU 97 3HD2 LEU 97 3.404 0.719 11.687 652 HD22 LEU 97 1HD2 LEU 97 5.141 0.389 11.792 653 HD23 LEU 97 2HD2 LEU 97 4.113 -0.583 10.740 654 H LEU 98 H LEU 98 2.407 1.077 6.313 655 HA LEU 98 HA LEU 98 -0.387 1.398 6.586 656 HB2 LEU 98 2HB LEU 98 -0.405 2.256 4.354 657 HB3 LEU 98 1HB LEU 98 1.009 2.879 5.176 658 HG LEU 98 HG LEU 98 2.024 0.730 4.081 659 HD11 LEU 98 1HD1 LEU 98 1.236 0.585 1.716 660 HD12 LEU 98 2HD1 LEU 98 -0.117 1.621 2.154 661 HD13 LEU 98 3HD1 LEU 98 0.059 0.031 2.907 662 HD21 LEU 98 3HD2 LEU 98 2.928 2.218 2.281 663 HD22 LEU 98 1HD2 LEU 98 2.998 2.931 3.893 664 HD23 LEU 98 2HD2 LEU 98 1.744 3.432 2.759 665 H LEU 99 H LEU 99 1.617 -1.210 5.478 666 HA LEU 99 HA LEU 99 -0.240 -2.636 3.933 667 HB2 LEU 99 2HB LEU 99 2.230 -3.065 4.027 668 HB3 LEU 99 1HB LEU 99 2.049 -3.645 5.652 669 HG LEU 99 HG LEU 99 0.834 -5.084 3.262 670 HD11 LEU 99 1HD1 LEU 99 3.492 -5.517 4.618 671 HD12 LEU 99 2HD1 LEU 99 3.261 -4.869 2.997 672 HD13 LEU 99 3HD1 LEU 99 2.794 -6.530 3.355 673 HD21 LEU 99 3HD2 LEU 99 0.842 -6.998 4.769 674 HD22 LEU 99 1HD2 LEU 99 -0.059 -5.675 5.513 675 HD23 LEU 99 2HD2 LEU 99 1.590 -6.033 6.035 676 H LYS 100 H LYS 100 0.581 -2.596 7.350 677 HA LYS 100 HA LYS 100 -1.321 -4.517 8.006 678 HB2 LYS 100 2HB LYS 100 0.396 -2.672 9.582 679 HB3 LYS 100 1HB LYS 100 -1.025 -3.309 10.385 680 HG2 LYS 100 2HG LYS 100 0.902 -4.652 10.933 681 HG3 LYS 100 1HG LYS 100 -0.223 -5.594 9.972 682 HD2 LYS 100 2HD LYS 100 1.182 -5.326 8.011 683 HD3 LYS 100 1HD LYS 100 2.280 -4.266 8.904 684 HE2 LYS 100 2HE LYS 100 2.787 -6.103 10.451 685 HE3 LYS 100 1HE LYS 100 1.685 -7.151 9.564 686 HZ1 LYS 100 3HZ LYS 100 4.035 -7.496 9.046 687 HZ2 LYS 100 1HZ LYS 100 4.177 -5.947 8.437 688 HZ3 LYS 100 2HZ LYS 100 3.187 -7.074 7.665 689 H ASP 101 H ASP 101 -1.328 -1.058 7.602 690 HA ASP 101 HA ASP 101 -3.820 -0.733 8.957 691 HB2 ASP 101 2HB ASP 101 -2.216 1.143 8.798 692 HB3 ASP 101 1HB ASP 101 -2.480 1.198 7.061 693 H LEU 102 H LEU 102 -2.814 -1.298 5.726 694 HA LEU 102 HA LEU 102 -5.135 -0.816 4.259 695 HB2 LEU 102 2HB LEU 102 -2.815 -1.303 3.395 696 HB3 LEU 102 1HB LEU 102 -3.034 -2.969 3.844 697 HG LEU 102 HG LEU 102 -4.722 -1.583 1.734 698 HD11 LEU 102 1HD1 LEU 102 -2.371 -1.538 1.080 699 HD12 LEU 102 2HD1 LEU 102 -3.277 -2.685 0.096 700 HD13 LEU 102 3HD1 LEU 102 -2.245 -3.269 1.400 701 HD21 LEU 102 3HD2 LEU 102 -5.163 -3.880 0.976 702 HD22 LEU 102 1HD2 LEU 102 -5.717 -3.640 2.635 703 HD23 LEU 102 2HD2 LEU 102 -4.215 -4.505 2.325 704 H LYS 103 H LYS 103 -3.955 -3.704 5.882 705 HA LYS 103 HA LYS 103 -6.277 -5.231 5.360 706 HB2 LYS 103 2HB LYS 103 -4.070 -5.580 7.370 707 HB3 LYS 103 1HB LYS 103 -5.375 -6.742 7.163 708 HG2 LYS 103 2HG LYS 103 -4.719 -7.119 4.864 709 HG3 LYS 103 1HG LYS 103 -3.464 -5.886 5.002 710 HD2 LYS 103 2HD LYS 103 -2.277 -7.198 6.623 711 HD3 LYS 103 1HD LYS 103 -3.587 -8.380 6.687 712 HE2 LYS 103 2HE LYS 103 -1.700 -9.173 5.327 713 HE3 LYS 103 1HE LYS 103 -3.179 -9.002 4.389 714 HZ1 LYS 103 3HZ LYS 103 -1.151 -8.170 3.278 715 HZ2 LYS 103 1HZ LYS 103 -1.007 -6.942 4.393 716 HZ3 LYS 103 2HZ LYS 103 -2.320 -7.020 3.345 717 H ALA 104 H ALA 104 -5.437 -3.040 7.980 718 HA ALA 104 HA ALA 104 -7.497 -3.898 9.734 719 HB1 ALA 104 1HB ALA 104 -5.472 -2.740 10.530 720 HB2 ALA 104 2HB ALA 104 -6.947 -1.923 11.038 721 HB3 ALA 104 3HB ALA 104 -5.997 -1.276 9.697 722 H LEU 105 H LEU 105 -7.165 -1.304 7.374 723 HA LEU 105 HA LEU 105 -9.646 -0.185 7.996 724 HB2 LEU 105 2HB LEU 105 -9.315 1.365 6.256 725 HB3 LEU 105 1HB LEU 105 -7.694 0.952 6.763 726 HG LEU 105 HG LEU 105 -8.039 -0.808 4.758 727 HD11 LEU 105 1HD1 LEU 105 -10.208 -0.062 4.136 728 HD12 LEU 105 2HD1 LEU 105 -9.064 0.308 2.846 729 HD13 LEU 105 3HD1 LEU 105 -9.631 1.590 3.916 730 HD21 LEU 105 3HD2 LEU 105 -6.146 0.745 5.073 731 HD22 LEU 105 1HD2 LEU 105 -7.128 2.051 4.418 732 HD23 LEU 105 2HD2 LEU 105 -6.677 0.693 3.385 733 H GLN 106 H GLN 106 -8.469 -2.600 5.829 734 HA GLN 106 HA GLN 106 -10.736 -3.087 4.249 735 HB2 GLN 106 2HB GLN 106 -8.522 -4.036 3.825 736 HB3 GLN 106 1HB GLN 106 -8.615 -4.941 5.322 737 HG2 GLN 106 2HG GLN 106 -10.528 -6.184 4.374 738 HG3 GLN 106 1HG GLN 106 -10.255 -5.347 2.843 739 HE21 GLN 106 1HE2 GLN 106 -7.315 -5.359 3.300 740 HE22 GLN 106 2HE2 GLN 106 -6.812 -6.961 2.934 741 H LYS 107 H LYS 107 -9.896 -4.274 7.445 742 HA LYS 107 HA LYS 107 -12.238 -5.864 7.645 743 HB2 LYS 107 2HB LYS 107 -10.551 -4.685 9.868 744 HB3 LYS 107 1HB LYS 107 -11.768 -5.935 10.069 745 HG2 LYS 107 2HG LYS 107 -9.234 -6.190 8.453 746 HG3 LYS 107 1HG LYS 107 -9.516 -6.863 10.057 747 HD2 LYS 107 2HD LYS 107 -11.287 -8.292 9.165 748 HD3 LYS 107 1HD LYS 107 -11.084 -7.571 7.567 749 HE2 LYS 107 2HE LYS 107 -8.833 -8.422 7.429 750 HE3 LYS 107 1HE LYS 107 -8.945 -9.100 9.052 751 HZ1 LYS 107 3HZ LYS 107 -10.586 -9.906 6.716 752 HZ2 LYS 107 1HZ LYS 107 -10.699 -10.558 8.258 753 HZ3 LYS 107 2HZ LYS 107 -9.297 -10.779 7.339 754 H ARG 108 H ARG 108 -11.540 -2.549 8.258 755 HA ARG 108 HA ARG 108 -13.954 -1.894 9.660 756 HB2 ARG 108 2HB ARG 108 -11.806 -0.559 9.747 757 HB3 ARG 108 1HB ARG 108 -12.125 -0.053 8.099 758 HG2 ARG 108 2HG ARG 108 -14.143 1.093 8.823 759 HG3 ARG 108 1HG ARG 108 -13.887 0.536 10.473 760 HD2 ARG 108 2HD ARG 108 -13.074 2.797 10.317 761 HD3 ARG 108 1HD ARG 108 -11.699 1.709 10.470 762 HE ARG 108 HE ARG 108 -12.411 2.357 7.770 763 HH11 ARG 108 1HH1 ARG 108 -10.331 3.219 10.508 764 HH12 ARG 108 2HH1 ARG 108 -9.302 4.231 9.616 765 HH21 ARG 108 1HH2 ARG 108 -11.047 3.706 6.538 766 HH22 ARG 108 2HH2 ARG 108 -9.725 4.545 7.231 767 H VAL 109 H VAL 109 -12.872 -1.669 6.313 768 HA VAL 109 HA VAL 109 -15.172 -0.599 5.278 769 HB VAL 109 HB VAL 109 -12.914 -2.228 4.116 770 HG11 VAL 109 1HG1 VAL 109 -13.706 -1.578 1.910 771 HG12 VAL 109 2HG1 VAL 109 -15.129 -0.831 2.660 772 HG13 VAL 109 3HG1 VAL 109 -14.867 -2.574 2.795 773 HG21 VAL 109 3HG2 VAL 109 -12.256 -0.066 3.165 774 HG22 VAL 109 1HG2 VAL 109 -12.321 -0.040 4.929 775 HG23 VAL 109 2HG2 VAL 109 -13.622 0.689 3.997 776 H GLN 110 H GLN 110 -13.997 -3.866 5.708 777 HA GLN 110 HA GLN 110 -16.054 -5.357 4.557 778 HB2 GLN 110 2HB GLN 110 -13.808 -6.156 5.288 779 HB3 GLN 110 1HB GLN 110 -14.343 -5.997 6.951 780 HG2 GLN 110 2HG GLN 110 -14.429 -8.237 6.299 781 HG3 GLN 110 1HG GLN 110 -16.075 -7.625 6.525 782 HE21 GLN 110 1HE2 GLN 110 -13.723 -8.694 4.203 783 HE22 GLN 110 2HE2 GLN 110 -14.804 -8.905 2.883 784 H ASP 111 H ASP 111 -15.687 -3.798 7.642 785 HA ASP 111 HA ASP 111 -17.803 -5.128 8.883 786 HB2 ASP 111 2HB ASP 111 -15.977 -4.176 10.176 787 HB3 ASP 111 1HB ASP 111 -16.433 -2.559 9.660 788 H SER 112 H SER 112 -17.504 -2.206 6.984 789 HA SER 112 HA SER 112 -20.007 -1.076 7.758 790 HB2 SER 112 2HB SER 112 -18.228 -0.489 5.379 791 HB3 SER 112 1HB SER 112 -19.556 0.520 5.956 792 HG SER 112 HG SER 112 -18.019 0.057 8.022 793 H GLU 113 H GLU 113 -18.926 -3.398 5.431 794 HA GLU 113 HA GLU 113 -21.618 -3.619 4.378 795 HB2 GLU 113 2HB GLU 113 -20.074 -2.086 2.991 796 HB3 GLU 113 1HB GLU 113 -19.162 -3.540 2.650 797 HG2 GLU 113 2HG GLU 113 -22.042 -3.116 1.956 798 HG3 GLU 113 1HG GLU 113 -20.657 -2.816 0.894 Start of MODEL 12 1 H1 ASN 18 1HT ASN 18 14.311 12.544 0.973 2 H2 ASN 18 2HT ASN 18 12.757 11.884 1.029 3 H3 ASN 18 3HT ASN 18 13.215 12.832 -0.275 4 HA ASN 18 HA ASN 18 14.776 11.261 -1.011 5 HB2 ASN 18 2HB ASN 18 13.889 9.637 1.379 6 HB3 ASN 18 1HB ASN 18 14.846 8.998 0.049 7 HD21 ASN 18 1HD2 ASN 18 17.018 9.679 -0.183 8 HD22 ASN 18 2HD2 ASN 18 17.830 10.462 1.123 9 H THR 19 H THR 19 14.245 9.502 -2.315 10 HA THR 19 HA THR 19 11.767 9.863 -3.493 11 HB THR 19 HB THR 19 13.726 9.295 -4.776 12 HG1 THR 19 1HG THR 19 12.511 8.362 -6.140 13 HG21 THR 19 3HG2 THR 19 13.665 6.604 -3.402 14 HG22 THR 19 1HG2 THR 19 14.861 7.869 -3.137 15 HG23 THR 19 2HG2 THR 19 14.762 7.075 -4.703 16 H ALA 20 H ALA 20 12.793 7.416 -1.162 17 HA ALA 20 HA ALA 20 10.924 5.427 -1.751 18 HB1 ALA 20 1HB ALA 20 12.153 6.079 0.903 19 HB2 ALA 20 2HB ALA 20 12.873 5.076 -0.361 20 HB3 ALA 20 3HB ALA 20 11.394 4.556 0.452 21 H THR 21 H THR 21 10.623 8.105 0.619 22 HA THR 21 HA THR 21 8.168 7.100 1.582 23 HB THR 21 HB THR 21 8.130 9.394 2.679 24 HG1 THR 21 1HG THR 21 10.145 10.445 2.652 25 HG21 THR 21 3HG2 THR 21 8.774 7.350 3.859 26 HG22 THR 21 1HG2 THR 21 9.830 8.675 4.341 27 HG23 THR 21 2HG2 THR 21 10.405 7.457 3.200 28 H GLN 22 H GLN 22 9.102 9.624 -0.644 29 HA GLN 22 HA GLN 22 6.517 10.724 -0.934 30 HB2 GLN 22 2HB GLN 22 7.380 11.900 -2.892 31 HB3 GLN 22 1HB GLN 22 8.535 11.981 -1.575 32 HG2 GLN 22 2HG GLN 22 9.751 10.089 -2.651 33 HG3 GLN 22 1HG GLN 22 8.666 10.250 -4.024 34 HE21 GLN 22 1HE2 GLN 22 10.287 10.766 -5.426 35 HE22 GLN 22 2HE2 GLN 22 11.140 12.259 -5.384 36 H ARG 23 H ARG 23 8.187 8.094 -2.544 37 HA ARG 23 HA ARG 23 6.165 7.764 -4.529 38 HB2 ARG 23 2HB ARG 23 8.571 7.137 -4.860 39 HB3 ARG 23 1HB ARG 23 8.345 5.817 -3.729 40 HG2 ARG 23 2HG ARG 23 6.860 4.691 -5.204 41 HG3 ARG 23 1HG ARG 23 6.735 6.102 -6.254 42 HD2 ARG 23 2HD ARG 23 8.187 4.530 -7.321 43 HD3 ARG 23 1HD ARG 23 9.169 5.866 -6.745 44 HE ARG 23 HE ARG 23 8.963 3.237 -5.457 45 HH11 ARG 23 1HH1 ARG 23 10.878 6.194 -6.033 46 HH12 ARG 23 2HH1 ARG 23 12.355 5.497 -5.652 47 HH21 ARG 23 1HH2 ARG 23 11.097 2.266 -4.979 48 HH22 ARG 23 2HH2 ARG 23 12.501 3.243 -5.053 49 H PHE 24 H PHE 24 6.660 6.577 -1.259 50 HA PHE 24 HA PHE 24 4.614 4.588 -1.627 51 HB2 PHE 24 2HB PHE 24 6.425 5.305 0.646 52 HB3 PHE 24 1HB PHE 24 4.935 4.437 1.005 53 HD1 PHE 24 2HD PHE 24 6.814 3.961 -2.127 54 HD2 PHE 24 1HD PHE 24 6.023 2.386 1.773 55 HE1 PHE 24 2HE PHE 24 7.824 1.822 -2.775 56 HE2 PHE 24 1HE PHE 24 7.015 0.272 1.101 57 HZ PHE 24 HZ PHE 24 7.914 -0.031 -1.155 58 H HIS 25 H HIS 25 4.712 7.806 -1.076 59 HA HIS 25 HA HIS 25 2.364 8.085 0.527 60 HB2 HIS 25 2HB HIS 25 4.186 9.852 0.189 61 HB3 HIS 25 1HB HIS 25 3.505 10.128 -1.405 62 HD1 HIS 25 1HD HIS 25 3.150 11.088 2.130 63 HD2 HIS 25 2HD HIS 25 0.826 11.283 -1.306 64 HE1 HIS 25 1HE HIS 25 1.356 12.733 2.626 65 HE2 HIS 25 2HE HIS 25 -0.150 12.668 0.643 66 H GLU 26 H GLU 26 3.020 7.322 -2.720 67 HA GLU 26 HA GLU 26 0.680 8.101 -4.074 68 HB2 GLU 26 2HB GLU 26 2.702 7.324 -5.201 69 HB3 GLU 26 1HB GLU 26 2.536 5.744 -4.461 70 HG2 GLU 26 2HG GLU 26 1.846 5.586 -6.721 71 HG3 GLU 26 1HG GLU 26 0.411 5.455 -5.707 72 H ILE 27 H ILE 27 1.523 5.229 -2.229 73 HA ILE 27 HA ILE 27 -1.001 3.981 -2.711 74 HB ILE 27 HB ILE 27 1.080 3.207 -0.608 75 HG12 ILE 27 2HG1 ILE 27 1.502 1.251 -2.244 76 HG13 ILE 27 1HG1 ILE 27 0.646 2.217 -3.433 77 HG21 ILE 27 1HG2 ILE 27 -1.295 1.673 -1.667 78 HG22 ILE 27 2HG2 ILE 27 -1.116 2.338 -0.045 79 HG23 ILE 27 3HG2 ILE 27 -0.069 1.021 -0.585 80 HD11 ILE 27 3HD1 ILE 27 3.196 2.997 -2.033 81 HD12 ILE 27 1HD1 ILE 27 2.357 3.953 -3.254 82 HD13 ILE 27 2HD1 ILE 27 3.062 2.394 -3.684 83 H GLU 28 H GLU 28 0.424 5.961 -0.270 84 HA GLU 28 HA GLU 28 -1.487 5.754 1.779 85 HB2 GLU 28 2HB GLU 28 0.841 6.839 1.818 86 HB3 GLU 28 1HB GLU 28 0.133 8.203 1.011 87 HG2 GLU 28 2HG GLU 28 -0.662 7.248 3.766 88 HG3 GLU 28 1HG GLU 28 0.494 8.526 3.440 89 H LYS 29 H LYS 29 -1.275 8.046 -0.911 90 HA LYS 29 HA LYS 29 -3.725 9.299 -0.330 91 HB2 LYS 29 2HB LYS 29 -3.670 10.279 -2.602 92 HB3 LYS 29 1HB LYS 29 -2.167 10.499 -1.724 93 HG2 LYS 29 2HG LYS 29 -1.086 8.811 -3.004 94 HG3 LYS 29 1HG LYS 29 -2.605 8.349 -3.763 95 HD2 LYS 29 2HD LYS 29 -1.282 11.047 -4.072 96 HD3 LYS 29 1HD LYS 29 -1.142 9.723 -5.230 97 HE2 LYS 29 2HE LYS 29 -3.623 9.754 -5.468 98 HE3 LYS 29 1HE LYS 29 -3.667 11.171 -4.423 99 HZ1 LYS 29 3HZ LYS 29 -3.745 11.772 -6.737 100 HZ2 LYS 29 1HZ LYS 29 -2.284 10.989 -7.033 101 HZ3 LYS 29 2HZ LYS 29 -2.324 12.360 -6.057 102 H PHE 30 H PHE 30 -2.964 6.505 -2.311 103 HA PHE 30 HA PHE 30 -5.519 6.243 -3.506 104 HB2 PHE 30 2HB PHE 30 -3.402 4.962 -4.143 105 HB3 PHE 30 1HB PHE 30 -3.727 4.014 -2.687 106 HD1 PHE 30 1HD PHE 30 -5.148 4.901 -5.996 107 HD2 PHE 30 2HD PHE 30 -5.271 2.239 -2.677 108 HE1 PHE 30 1HE PHE 30 -6.683 3.425 -7.232 109 HE2 PHE 30 2HE PHE 30 -6.797 0.766 -3.915 110 HZ PHE 30 HZ PHE 30 -7.507 1.359 -6.190 111 H LEU 31 H LEU 31 -4.102 5.069 -0.517 112 HA LEU 31 HA LEU 31 -6.130 3.359 0.322 113 HB2 LEU 31 2HB LEU 31 -3.723 3.631 1.113 114 HB3 LEU 31 1HB LEU 31 -4.271 4.989 2.053 115 HG LEU 31 HG LEU 31 -5.291 2.173 2.458 116 HD11 LEU 31 1HD1 LEU 31 -2.858 2.319 2.765 117 HD12 LEU 31 2HD1 LEU 31 -3.707 2.001 4.265 118 HD13 LEU 31 3HD1 LEU 31 -3.094 3.623 3.931 119 HD21 LEU 31 3HD2 LEU 31 -5.968 3.000 4.648 120 HD22 LEU 31 1HD2 LEU 31 -6.714 3.976 3.385 121 HD23 LEU 31 2HD2 LEU 31 -5.318 4.594 4.272 122 H LEU 32 H LEU 32 -5.600 6.826 0.911 123 HA LEU 32 HA LEU 32 -7.883 6.932 2.501 124 HB2 LEU 32 2HB LEU 32 -7.671 9.455 2.433 125 HB3 LEU 32 1HB LEU 32 -6.283 8.586 3.036 126 HG LEU 32 HG LEU 32 -5.325 8.879 0.686 127 HD11 LEU 32 1HD1 LEU 32 -7.393 11.063 0.606 128 HD12 LEU 32 2HD1 LEU 32 -7.333 9.647 -0.441 129 HD13 LEU 32 3HD1 LEU 32 -6.056 10.863 -0.529 130 HD21 LEU 32 3HD2 LEU 32 -5.658 11.219 2.545 131 HD22 LEU 32 1HD2 LEU 32 -4.450 11.095 1.266 132 HD23 LEU 32 2HD2 LEU 32 -4.415 9.965 2.618 133 H HIS 33 H HIS 33 -7.365 7.356 -0.869 134 HA HIS 33 HA HIS 33 -9.901 8.533 -1.364 135 HB2 HIS 33 2HB HIS 33 -8.017 8.847 -2.959 136 HB3 HIS 33 1HB HIS 33 -8.059 7.127 -3.332 137 HD1 HIS 33 1HD HIS 33 -9.769 10.336 -4.104 138 HD2 HIS 33 2HD HIS 33 -10.311 6.305 -4.860 139 HE1 HIS 33 1HE HIS 33 -11.584 10.213 -5.832 140 HE2 HIS 33 2HE HIS 33 -12.165 7.759 -5.746 141 H ILE 34 H ILE 34 -8.645 5.190 -1.280 142 HA ILE 34 HA ILE 34 -10.943 4.149 -2.438 143 HB ILE 34 HB ILE 34 -8.624 3.044 -2.337 144 HG12 ILE 34 2HG1 ILE 34 -11.015 1.454 -1.506 145 HG13 ILE 34 1HG1 ILE 34 -10.640 1.982 -3.146 146 HG21 ILE 34 1HG2 ILE 34 -9.593 2.189 0.394 147 HG22 ILE 34 2HG2 ILE 34 -8.245 3.277 0.082 148 HG23 ILE 34 3HG2 ILE 34 -8.153 1.589 -0.431 149 HD11 ILE 34 3HD1 ILE 34 -8.982 0.091 -1.488 150 HD12 ILE 34 1HD1 ILE 34 -8.626 0.605 -3.137 151 HD13 ILE 34 2HD1 ILE 34 -10.056 -0.373 -2.810 152 H THR 35 H THR 35 -10.046 4.962 0.849 153 HA THR 35 HA THR 35 -12.233 3.725 2.114 154 HB THR 35 HB THR 35 -10.808 6.270 2.879 155 HG1 THR 35 1HG THR 35 -9.256 4.638 2.870 156 HG21 THR 35 3HG2 THR 35 -12.414 4.338 4.569 157 HG22 THR 35 1HG2 THR 35 -12.901 5.972 4.126 158 HG23 THR 35 2HG2 THR 35 -11.520 5.723 5.194 159 H HIS 36 H HIS 36 -11.862 6.882 0.533 160 HA HIS 36 HA HIS 36 -14.485 7.808 1.066 161 HB2 HIS 36 2HB HIS 36 -12.745 9.346 0.204 162 HB3 HIS 36 1HB HIS 36 -12.721 8.469 -1.317 163 HD1 HIS 36 1HD HIS 36 -14.793 10.963 0.621 164 HD2 HIS 36 2HD HIS 36 -14.824 9.069 -3.085 165 HE1 HIS 36 1HE HIS 36 -16.516 12.158 -0.737 166 HE2 HIS 36 2HE HIS 36 -16.727 10.792 -2.820 167 H GLU 37 H GLU 37 -13.207 5.738 -1.480 168 HA GLU 37 HA GLU 37 -15.497 5.534 -3.092 169 HB2 GLU 37 2HB GLU 37 -13.518 3.320 -2.505 170 HB3 GLU 37 1HB GLU 37 -14.565 3.442 -3.905 171 HG2 GLU 37 2HG GLU 37 -12.340 5.358 -3.262 172 HG3 GLU 37 1HG GLU 37 -12.188 3.979 -4.347 173 H VAL 38 H VAL 38 -14.546 3.966 -0.100 174 HA VAL 38 HA VAL 38 -16.455 1.888 -0.034 175 HB VAL 38 HB VAL 38 -15.145 3.337 2.298 176 HG11 VAL 38 1HG1 VAL 38 -16.371 0.589 2.120 177 HG12 VAL 38 2HG1 VAL 38 -17.081 1.985 2.930 178 HG13 VAL 38 3HG1 VAL 38 -15.587 1.270 3.546 179 HG21 VAL 38 3HG2 VAL 38 -13.489 1.576 2.289 180 HG22 VAL 38 1HG2 VAL 38 -13.495 2.432 0.751 181 HG23 VAL 38 2HG2 VAL 38 -14.246 0.839 0.881 182 H ASP 39 H ASP 39 -16.317 5.123 1.223 183 HA ASP 39 HA ASP 39 -18.764 5.170 2.522 184 HB2 ASP 39 2HB ASP 39 -17.103 6.871 2.966 185 HB3 ASP 39 1HB ASP 39 -17.180 7.432 1.303 186 H ASP 40 H ASP 40 -17.759 5.924 -0.735 187 HA ASP 40 HA ASP 40 -20.072 7.111 -1.603 188 HB2 ASP 40 2HB ASP 40 -17.842 7.177 -2.776 189 HB3 ASP 40 1HB ASP 40 -18.135 5.534 -3.303 190 H LEU 41 H LEU 41 -18.947 3.786 -1.617 191 HA LEU 41 HA LEU 41 -21.078 2.645 -3.119 192 HB2 LEU 41 2HB LEU 41 -19.673 1.263 -0.885 193 HB3 LEU 41 1HB LEU 41 -20.408 0.587 -2.317 194 HG LEU 41 HG LEU 41 -17.981 2.244 -2.204 195 HD11 LEU 41 1HD1 LEU 41 -17.687 0.082 -1.192 196 HD12 LEU 41 2HD1 LEU 41 -16.861 0.091 -2.751 197 HD13 LEU 41 3HD1 LEU 41 -18.423 -0.717 -2.569 198 HD21 LEU 41 3HD2 LEU 41 -17.652 1.548 -4.571 199 HD22 LEU 41 1HD2 LEU 41 -19.100 2.529 -4.340 200 HD23 LEU 41 2HD2 LEU 41 -19.242 0.783 -4.535 201 H GLU 42 H GLU 42 -20.480 3.300 0.179 202 HA GLU 42 HA GLU 42 -22.595 1.910 1.304 203 HB2 GLU 42 2HB GLU 42 -20.731 2.810 2.630 204 HB3 GLU 42 1HB GLU 42 -21.317 4.444 2.352 205 HG2 GLU 42 2HG GLU 42 -23.338 3.943 3.549 206 HG3 GLU 42 1HG GLU 42 -22.802 2.282 3.795 207 H LYS 43 H LYS 43 -22.557 5.053 -0.293 208 HA LYS 43 HA LYS 43 -25.414 5.166 0.288 209 HB2 LYS 43 2HB LYS 43 -25.367 7.593 -0.365 210 HB3 LYS 43 1HB LYS 43 -24.420 7.208 1.052 211 HG2 LYS 43 2HG LYS 43 -23.166 8.788 -0.170 212 HG3 LYS 43 1HG LYS 43 -22.383 7.238 -0.472 213 HD2 LYS 43 2HD LYS 43 -23.581 7.101 -2.626 214 HD3 LYS 43 1HD LYS 43 -24.295 8.681 -2.309 215 HE2 LYS 43 2HE LYS 43 -22.104 9.711 -2.311 216 HE3 LYS 43 1HE LYS 43 -21.338 8.138 -2.494 217 HZ1 LYS 43 3HZ LYS 43 -23.038 9.527 -4.482 218 HZ2 LYS 43 1HZ LYS 43 -22.544 7.909 -4.600 219 HZ3 LYS 43 2HZ LYS 43 -21.396 9.139 -4.598 220 H THR 44 H THR 44 -23.356 4.296 -2.063 221 HA THR 44 HA THR 44 -25.150 4.900 -4.290 222 HB THR 44 HB THR 44 -22.301 4.060 -4.221 223 HG1 THR 44 1HG THR 44 -21.771 6.084 -4.544 224 HG21 THR 44 3HG2 THR 44 -23.215 3.328 -6.178 225 HG22 THR 44 1HG2 THR 44 -22.228 4.757 -6.530 226 HG23 THR 44 2HG2 THR 44 -24.020 4.900 -6.491 227 H GLY 45 H GLY 45 -22.715 2.341 -3.918 228 HA2 GLY 45 2HA GLY 45 -24.670 0.255 -4.302 229 HA3 GLY 45 1HA GLY 45 -23.527 0.511 -5.604 230 H ASN 46 H ASN 46 -23.924 -0.459 -2.417 231 HA ASN 46 HA ASN 46 -21.098 -1.180 -2.077 232 HB2 ASN 46 2HB ASN 46 -21.568 -1.604 0.220 233 HB3 ASN 46 1HB ASN 46 -22.439 -0.138 -0.212 234 HD21 ASN 46 1HD2 ASN 46 -22.698 -3.384 0.890 235 HD22 ASN 46 2HD2 ASN 46 -24.388 -3.413 1.130 236 H LYS 47 H LYS 47 -23.767 -2.679 -3.332 237 HA LYS 47 HA LYS 47 -23.773 -5.139 -1.994 238 HB2 LYS 47 2HB LYS 47 -24.784 -4.545 -4.763 239 HB3 LYS 47 1HB LYS 47 -25.148 -5.997 -3.840 240 HG2 LYS 47 2HG LYS 47 -25.892 -3.176 -3.084 241 HG3 LYS 47 1HG LYS 47 -26.989 -4.417 -3.684 242 HD2 LYS 47 2HD LYS 47 -26.529 -5.778 -1.683 243 HD3 LYS 47 1HD LYS 47 -25.416 -4.542 -1.100 244 HE2 LYS 47 2HE LYS 47 -28.368 -4.167 -1.567 245 HE3 LYS 47 1HE LYS 47 -27.592 -4.407 -0.006 246 HZ1 LYS 47 3HZ LYS 47 -26.339 -2.273 -0.448 247 HZ2 LYS 47 1HZ LYS 47 -27.998 -2.095 -0.325 248 HZ3 LYS 47 2HZ LYS 47 -27.294 -2.069 -1.817 249 H ASP 48 H ASP 48 -22.083 -4.382 -4.972 250 HA ASP 48 HA ASP 48 -20.602 -6.887 -4.500 251 HB2 ASP 48 2HB ASP 48 -21.999 -7.221 -6.454 252 HB3 ASP 48 1HB ASP 48 -21.373 -5.750 -7.192 253 H GLU 49 H GLU 49 -20.525 -3.637 -5.423 254 HA GLU 49 HA GLU 49 -17.829 -3.346 -6.208 255 HB2 GLU 49 2HB GLU 49 -19.833 -1.356 -5.164 256 HB3 GLU 49 1HB GLU 49 -18.277 -0.942 -5.894 257 HG2 GLU 49 2HG GLU 49 -18.906 -1.874 -7.982 258 HG3 GLU 49 1HG GLU 49 -20.360 -2.584 -7.303 259 H LYS 50 H LYS 50 -19.256 -3.442 -3.094 260 HA LYS 50 HA LYS 50 -17.190 -2.340 -1.603 261 HB2 LYS 50 2HB LYS 50 -19.539 -3.404 -0.999 262 HB3 LYS 50 1HB LYS 50 -18.571 -4.839 -0.738 263 HG2 LYS 50 2HG LYS 50 -18.962 -3.736 1.343 264 HG3 LYS 50 1HG LYS 50 -17.250 -3.593 0.920 265 HD2 LYS 50 2HD LYS 50 -17.496 -1.396 0.210 266 HD3 LYS 50 1HD LYS 50 -19.258 -1.489 0.215 267 HE2 LYS 50 2HE LYS 50 -17.507 -1.691 2.673 268 HE3 LYS 50 1HE LYS 50 -18.307 -0.211 2.140 269 HZ1 LYS 50 3HZ LYS 50 -19.365 -1.630 3.903 270 HZ2 LYS 50 1HZ LYS 50 -19.852 -2.682 2.687 271 HZ3 LYS 50 2HZ LYS 50 -20.396 -1.093 2.681 272 H ALA 51 H ALA 51 -17.738 -5.628 -2.601 273 HA ALA 51 HA ALA 51 -15.302 -6.738 -1.712 274 HB1 ALA 51 1HB ALA 51 -17.108 -7.695 -3.940 275 HB2 ALA 51 2HB ALA 51 -17.269 -8.117 -2.235 276 HB3 ALA 51 3HB ALA 51 -15.859 -8.654 -3.145 277 H ARG 52 H ARG 52 -16.316 -5.346 -4.762 278 HA ARG 52 HA ARG 52 -14.028 -5.860 -6.308 279 HB2 ARG 52 2HB ARG 52 -16.178 -4.951 -7.204 280 HB3 ARG 52 1HB ARG 52 -15.757 -3.400 -6.486 281 HG2 ARG 52 2HG ARG 52 -13.597 -3.571 -7.872 282 HG3 ARG 52 1HG ARG 52 -14.460 -4.802 -8.794 283 HD2 ARG 52 2HD ARG 52 -14.780 -2.709 -9.905 284 HD3 ARG 52 1HD ARG 52 -16.300 -3.135 -9.116 285 HE ARG 52 HE ARG 52 -14.469 -1.402 -7.666 286 HH11 ARG 52 1HH1 ARG 52 -17.374 -1.578 -9.681 287 HH12 ARG 52 2HH1 ARG 52 -18.028 -0.121 -9.090 288 HH21 ARG 52 1HH2 ARG 52 -15.322 0.609 -6.945 289 HH22 ARG 52 2HH2 ARG 52 -16.797 1.184 -7.546 290 H LEU 53 H LEU 53 -14.809 -3.044 -4.214 291 HA LEU 53 HA LEU 53 -12.416 -1.652 -4.842 292 HB2 LEU 53 2HB LEU 53 -12.965 -0.095 -3.224 293 HB3 LEU 53 1HB LEU 53 -14.533 -0.819 -3.497 294 HG LEU 53 HG LEU 53 -13.692 -2.358 -1.493 295 HD11 LEU 53 1HD1 LEU 53 -12.441 0.307 -0.887 296 HD12 LEU 53 2HD1 LEU 53 -11.558 -1.183 -1.224 297 HD13 LEU 53 3HD1 LEU 53 -12.560 -1.055 0.226 298 HD21 LEU 53 3HD2 LEU 53 -14.910 0.357 -1.176 299 HD22 LEU 53 1HD2 LEU 53 -14.997 -0.948 0.006 300 HD23 LEU 53 2HD2 LEU 53 -15.750 -1.138 -1.579 301 H LEU 54 H LEU 54 -13.122 -4.104 -2.421 302 HA LEU 54 HA LEU 54 -10.607 -3.858 -1.200 303 HB2 LEU 54 2HB LEU 54 -12.514 -6.180 -1.198 304 HB3 LEU 54 1HB LEU 54 -11.073 -6.090 -0.193 305 HG LEU 54 HG LEU 54 -13.438 -4.230 -0.090 306 HD11 LEU 54 1HD1 LEU 54 -13.913 -6.349 0.921 307 HD12 LEU 54 2HD1 LEU 54 -13.740 -5.109 2.162 308 HD13 LEU 54 3HD1 LEU 54 -12.438 -6.267 1.885 309 HD21 LEU 54 3HD2 LEU 54 -11.413 -2.949 0.334 310 HD22 LEU 54 1HD2 LEU 54 -10.850 -4.161 1.474 311 HD23 LEU 54 2HD2 LEU 54 -12.267 -3.176 1.827 312 H ARG 55 H ARG 55 -11.726 -5.720 -3.857 313 HA ARG 55 HA ARG 55 -9.401 -7.176 -4.424 314 HB2 ARG 55 2HB ARG 55 -11.453 -7.646 -5.569 315 HB3 ARG 55 1HB ARG 55 -11.561 -6.002 -6.166 316 HG2 ARG 55 2HG ARG 55 -9.585 -6.426 -7.581 317 HG3 ARG 55 1HG ARG 55 -9.587 -8.104 -7.019 318 HD2 ARG 55 2HD ARG 55 -11.771 -8.465 -7.926 319 HD3 ARG 55 1HD ARG 55 -11.925 -6.760 -8.346 320 HE ARG 55 HE ARG 55 -9.695 -7.619 -9.636 321 HH11 ARG 55 1HH1 ARG 55 -13.107 -8.547 -9.638 322 HH12 ARG 55 2HH1 ARG 55 -13.104 -9.081 -11.262 323 HH21 ARG 55 1HH2 ARG 55 -9.701 -8.281 -11.848 324 HH22 ARG 55 2HH2 ARG 55 -11.122 -8.867 -12.579 325 H GLU 56 H GLU 56 -10.275 -3.799 -4.994 326 HA GLU 56 HA GLU 56 -8.122 -3.187 -6.748 327 HB2 GLU 56 2HB GLU 56 -9.725 -1.362 -4.941 328 HB3 GLU 56 1HB GLU 56 -8.625 -0.813 -6.192 329 HG2 GLU 56 2HG GLU 56 -11.035 -2.532 -6.731 330 HG3 GLU 56 1HG GLU 56 -11.043 -0.771 -6.767 331 H LEU 57 H LEU 57 -8.525 -3.118 -3.242 332 HA LEU 57 HA LEU 57 -5.943 -2.014 -2.981 333 HB2 LEU 57 2HB LEU 57 -6.075 -2.216 -0.551 334 HB3 LEU 57 1HB LEU 57 -7.458 -1.394 -1.213 335 HG LEU 57 HG LEU 57 -8.715 -3.594 -0.874 336 HD11 LEU 57 1HD1 LEU 57 -6.772 -5.044 -0.585 337 HD12 LEU 57 2HD1 LEU 57 -7.836 -5.092 0.822 338 HD13 LEU 57 3HD1 LEU 57 -6.334 -4.168 0.881 339 HD21 LEU 57 3HD2 LEU 57 -9.047 -1.641 0.492 340 HD22 LEU 57 1HD2 LEU 57 -7.637 -2.060 1.466 341 HD23 LEU 57 2HD2 LEU 57 -9.061 -3.094 1.494 342 H THR 58 H THR 58 -7.185 -5.183 -3.146 343 HA THR 58 HA THR 58 -4.967 -6.569 -2.266 344 HB THR 58 HB THR 58 -6.820 -7.253 -4.572 345 HG1 THR 58 1HG THR 58 -6.998 -7.457 -1.793 346 HG21 THR 58 3HG2 THR 58 -5.031 -9.043 -2.908 347 HG22 THR 58 1HG2 THR 58 -4.808 -8.644 -4.608 348 HG23 THR 58 2HG2 THR 58 -6.199 -9.605 -4.105 349 H VAL 59 H VAL 59 -5.728 -5.158 -5.415 350 HA VAL 59 HA VAL 59 -3.323 -5.904 -6.735 351 HB VAL 59 HB VAL 59 -5.041 -3.457 -7.283 352 HG11 VAL 59 1HG1 VAL 59 -3.118 -4.922 -9.087 353 HG12 VAL 59 2HG1 VAL 59 -2.862 -3.335 -8.364 354 HG13 VAL 59 3HG1 VAL 59 -4.138 -3.561 -9.562 355 HG21 VAL 59 3HG2 VAL 59 -6.173 -4.818 -8.988 356 HG22 VAL 59 1HG2 VAL 59 -6.397 -5.482 -7.371 357 HG23 VAL 59 2HG2 VAL 59 -5.241 -6.224 -8.476 358 H SER 60 H SER 60 -4.291 -3.128 -4.855 359 HA SER 60 HA SER 60 -2.026 -1.541 -5.223 360 HB2 SER 60 2HB SER 60 -3.851 -1.577 -2.825 361 HB3 SER 60 1HB SER 60 -2.811 -0.244 -3.336 362 HG SER 60 HG SER 60 -5.118 -1.271 -4.620 363 H GLU 61 H GLU 61 -2.765 -3.816 -2.706 364 HA GLU 61 HA GLU 61 -0.334 -3.391 -1.388 365 HB2 GLU 61 2HB GLU 61 -0.733 -5.395 -0.050 366 HB3 GLU 61 1HB GLU 61 -2.177 -4.408 -0.136 367 HG2 GLU 61 2HG GLU 61 -3.176 -5.905 -1.683 368 HG3 GLU 61 1HG GLU 61 -1.683 -6.840 -1.817 369 H ALA 62 H ALA 62 -1.263 -5.353 -4.058 370 HA ALA 62 HA ALA 62 0.930 -7.108 -3.970 371 HB1 ALA 62 1HB ALA 62 0.373 -7.729 -6.248 372 HB2 ALA 62 2HB ALA 62 -0.650 -6.300 -6.410 373 HB3 ALA 62 3HB ALA 62 -1.102 -7.586 -5.291 374 H PHE 63 H PHE 63 0.558 -3.967 -5.622 375 HA PHE 63 HA PHE 63 3.238 -4.368 -6.575 376 HB2 PHE 63 2HB PHE 63 3.137 -1.954 -7.440 377 HB3 PHE 63 1HB PHE 63 2.051 -3.113 -8.177 378 HD1 PHE 63 2HD PHE 63 2.216 -0.451 -5.601 379 HD2 PHE 63 1HD PHE 63 -0.184 -2.704 -8.279 380 HE1 PHE 63 2HE PHE 63 0.291 0.981 -5.089 381 HE2 PHE 63 1HE PHE 63 -2.097 -1.283 -7.776 382 HZ PHE 63 HZ PHE 63 -1.879 0.515 -6.159 383 H ILE 64 H ILE 64 1.823 -2.771 -3.880 384 HA ILE 64 HA ILE 64 4.195 -1.398 -3.192 385 HB ILE 64 HB ILE 64 1.752 -0.991 -2.281 386 HG12 ILE 64 2HG1 ILE 64 3.806 0.246 -1.590 387 HG13 ILE 64 1HG1 ILE 64 2.514 0.210 -0.399 388 HG21 ILE 64 1HG2 ILE 64 2.669 -2.870 -0.125 389 HG22 ILE 64 2HG2 ILE 64 1.547 -3.300 -1.385 390 HG23 ILE 64 3HG2 ILE 64 1.114 -2.026 -0.222 391 HD11 ILE 64 3HD1 ILE 64 5.029 -1.459 -0.361 392 HD12 ILE 64 1HD1 ILE 64 3.745 -1.521 0.845 393 HD13 ILE 64 2HD1 ILE 64 4.703 -0.053 0.647 394 H GLU 65 H GLU 65 2.958 -4.630 -2.430 395 HA GLU 65 HA GLU 65 5.046 -5.368 -0.706 396 HB2 GLU 65 2HB GLU 65 2.878 -6.543 -0.890 397 HB3 GLU 65 1HB GLU 65 3.318 -7.069 -2.505 398 HG2 GLU 65 2HG GLU 65 3.643 -8.836 -0.960 399 HG3 GLU 65 1HG GLU 65 5.205 -8.277 -1.573 400 H GLY 66 H GLY 66 4.526 -5.647 -4.182 401 HA2 GLY 66 2HA GLY 66 6.858 -7.030 -4.857 402 HA3 GLY 66 1HA GLY 66 5.981 -5.937 -5.928 403 H SER 67 H SER 67 6.278 -3.628 -4.270 404 HA SER 67 HA SER 67 8.790 -2.716 -5.150 405 HB2 SER 67 2HB SER 67 6.821 -1.485 -3.210 406 HB3 SER 67 1HB SER 67 8.212 -0.648 -3.893 407 HG SER 67 HG SER 67 6.012 -1.748 -5.325 408 H ARG 68 H ARG 68 7.535 -3.926 -2.110 409 HA ARG 68 HA ARG 68 9.899 -3.238 -0.759 410 HB2 ARG 68 2HB ARG 68 7.829 -5.252 0.106 411 HB3 ARG 68 1HB ARG 68 9.138 -4.668 1.124 412 HG2 ARG 68 2HG ARG 68 8.150 -2.357 0.799 413 HG3 ARG 68 1HG ARG 68 6.748 -3.171 0.103 414 HD2 ARG 68 2HD ARG 68 7.861 -3.515 2.881 415 HD3 ARG 68 1HD ARG 68 6.334 -2.768 2.431 416 HE ARG 68 HE ARG 68 6.226 -5.367 1.464 417 HH11 ARG 68 1HH1 ARG 68 6.660 -3.889 4.663 418 HH12 ARG 68 2HH1 ARG 68 5.868 -5.175 5.459 419 HH21 ARG 68 1HH2 ARG 68 5.224 -7.048 2.547 420 HH22 ARG 68 2HH2 ARG 68 5.011 -7.024 4.245 421 H GLY 69 H GLY 69 8.829 -6.111 -2.336 422 HA2 GLY 69 2HA GLY 69 11.058 -7.710 -1.719 423 HA3 GLY 69 1HA GLY 69 10.054 -7.875 -3.160 424 H TYR 70 H TYR 70 10.575 -5.093 -3.848 425 HA TYR 70 HA TYR 70 12.759 -5.486 -5.653 426 HB2 TYR 70 2HB TYR 70 10.893 -4.163 -6.385 427 HB3 TYR 70 1HB TYR 70 10.937 -3.184 -4.941 428 HD1 TYR 70 2HD TYR 70 12.569 -1.346 -4.751 429 HD2 TYR 70 1HD TYR 70 12.240 -3.648 -8.319 430 HE1 TYR 70 2HE TYR 70 13.715 0.424 -5.981 431 HE2 TYR 70 1HE TYR 70 13.386 -1.856 -9.567 432 HH TYR 70 HH TYR 70 13.754 0.555 -9.357 433 H PHE 71 H PHE 71 12.136 -3.535 -2.810 434 HA PHE 71 HA PHE 71 14.681 -2.417 -2.669 435 HB2 PHE 71 2HB PHE 71 12.613 -2.748 -0.499 436 HB3 PHE 71 1HB PHE 71 14.111 -1.845 -0.297 437 HD1 PHE 71 1HD PHE 71 14.476 -0.268 -2.569 438 HD2 PHE 71 2HD PHE 71 10.809 -1.352 -0.726 439 HE1 PHE 71 1HE PHE 71 13.425 1.740 -3.495 440 HE2 PHE 71 2HE PHE 71 9.755 0.656 -1.664 441 HZ PHE 71 HZ PHE 71 11.057 2.199 -3.038 442 H GLN 72 H GLN 72 13.340 -5.316 -1.228 443 HA GLN 72 HA GLN 72 15.529 -6.060 0.330 444 HB2 GLN 72 2HB GLN 72 13.509 -7.753 -1.138 445 HB3 GLN 72 1HB GLN 72 14.691 -8.420 -0.020 446 HG2 GLN 72 2HG GLN 72 13.755 -7.123 1.801 447 HG3 GLN 72 1HG GLN 72 12.642 -6.332 0.690 448 HE21 GLN 72 1HE2 GLN 72 10.873 -7.033 1.885 449 HE22 GLN 72 2HE2 GLN 72 10.340 -8.667 1.841 450 H ARG 73 H ARG 73 14.963 -6.526 -3.118 451 HA ARG 73 HA ARG 73 17.435 -7.911 -3.609 452 HB2 ARG 73 2HB ARG 73 15.482 -6.480 -5.401 453 HB3 ARG 73 1HB ARG 73 17.052 -6.943 -6.020 454 HG2 ARG 73 2HG ARG 73 15.274 -8.486 -6.627 455 HG3 ARG 73 1HG ARG 73 16.518 -9.299 -5.657 456 HD2 ARG 73 2HD ARG 73 15.004 -9.027 -3.712 457 HD3 ARG 73 1HD ARG 73 13.820 -8.303 -4.784 458 HE ARG 73 HE ARG 73 14.603 -10.814 -5.769 459 HH11 ARG 73 1HH1 ARG 73 12.600 -9.319 -3.292 460 HH12 ARG 73 2HH1 ARG 73 11.578 -10.651 -3.064 461 HH21 ARG 73 1HH2 ARG 73 13.190 -12.667 -5.515 462 HH22 ARG 73 2HH2 ARG 73 11.924 -12.617 -4.383 463 H GLU 74 H GLU 74 16.484 -4.539 -3.781 464 HA GLU 74 HA GLU 74 18.928 -3.553 -4.741 465 HB2 GLU 74 2HB GLU 74 16.888 -2.129 -3.029 466 HB3 GLU 74 1HB GLU 74 18.219 -1.344 -3.858 467 HG2 GLU 74 2HG GLU 74 15.921 -2.792 -5.149 468 HG3 GLU 74 1HG GLU 74 16.154 -1.046 -5.071 469 H LEU 75 H LEU 75 17.973 -4.383 -1.527 470 HA LEU 75 HA LEU 75 20.115 -3.133 -0.197 471 HB2 LEU 75 2HB LEU 75 18.066 -3.936 0.914 472 HB3 LEU 75 1HB LEU 75 18.537 -5.586 0.588 473 HG LEU 75 HG LEU 75 20.446 -5.358 2.117 474 HD11 LEU 75 1HD1 LEU 75 20.897 -2.972 1.817 475 HD12 LEU 75 2HD1 LEU 75 20.669 -3.370 3.519 476 HD13 LEU 75 3HD1 LEU 75 19.374 -2.584 2.619 477 HD21 LEU 75 3HD2 LEU 75 17.859 -4.427 3.327 478 HD22 LEU 75 1HD2 LEU 75 19.197 -5.192 4.177 479 HD23 LEU 75 2HD2 LEU 75 18.272 -6.108 2.976 480 H LYS 76 H LYS 76 20.011 -5.855 -2.248 481 HA LYS 76 HA LYS 76 22.529 -6.938 -1.248 482 HB2 LYS 76 2HB LYS 76 20.532 -8.043 -3.224 483 HB3 LYS 76 1HB LYS 76 22.036 -8.840 -2.776 484 HG2 LYS 76 2HG LYS 76 21.299 -9.063 -0.499 485 HG3 LYS 76 1HG LYS 76 19.840 -8.134 -0.844 486 HD2 LYS 76 2HD LYS 76 19.090 -9.852 -2.380 487 HD3 LYS 76 1HD LYS 76 20.566 -10.780 -2.098 488 HE2 LYS 76 2HE LYS 76 18.684 -11.664 -0.790 489 HE3 LYS 76 1HE LYS 76 19.964 -11.046 0.251 490 HZ1 LYS 76 3HZ LYS 76 17.440 -9.615 -0.415 491 HZ2 LYS 76 1HZ LYS 76 18.667 -9.034 0.588 492 HZ3 LYS 76 2HZ LYS 76 17.788 -10.389 1.029 493 H ARG 77 H ARG 77 21.527 -4.697 -3.343 494 HA ARG 77 HA ARG 77 22.618 -5.114 -5.862 495 HB2 ARG 77 2HB ARG 77 21.060 -3.301 -5.249 496 HB3 ARG 77 1HB ARG 77 22.354 -2.546 -4.336 497 HG2 ARG 77 2HG ARG 77 23.542 -1.988 -6.288 498 HG3 ARG 77 1HG ARG 77 22.457 -2.933 -7.315 499 HD2 ARG 77 2HD ARG 77 20.606 -1.471 -6.756 500 HD3 ARG 77 1HD ARG 77 21.611 -0.580 -5.621 501 HE ARG 77 HE ARG 77 22.974 0.001 -7.692 502 HH11 ARG 77 1HH1 ARG 77 19.439 -0.445 -7.733 503 HH12 ARG 77 2HH1 ARG 77 19.205 0.610 -9.034 504 HH21 ARG 77 1HH2 ARG 77 22.624 1.478 -9.429 505 HH22 ARG 77 2HH2 ARG 77 21.055 1.728 -10.043 506 H THR 78 H THR 78 24.335 -4.272 -2.927 507 HA THR 78 HA THR 78 26.463 -3.856 -2.381 508 HB THR 78 HB THR 78 27.193 -4.658 -5.224 509 HG1 THR 78 1HG THR 78 26.187 -6.033 -3.132 510 HG21 THR 78 3HG2 THR 78 28.820 -4.717 -2.671 511 HG22 THR 78 1HG2 THR 78 29.015 -3.525 -3.957 512 HG23 THR 78 2HG2 THR 78 29.376 -5.223 -4.265 513 H ASP 79 H ASP 79 25.512 -2.492 -5.410 514 HA ASP 79 HA ASP 79 26.986 -0.047 -4.993 515 HB2 ASP 79 2HB ASP 79 26.809 -0.661 -7.278 516 HB3 ASP 79 1HB ASP 79 25.116 -1.071 -7.144 517 H LEU 80 H LEU 80 25.963 0.052 -2.847 518 HA LEU 80 HA LEU 80 23.926 2.109 -2.679 519 HB2 LEU 80 2HB LEU 80 22.289 0.903 -1.520 520 HB3 LEU 80 1HB LEU 80 22.698 -0.207 -2.795 521 HG LEU 80 HG LEU 80 23.983 -0.457 -0.075 522 HD11 LEU 80 1HD1 LEU 80 22.296 -2.106 0.467 523 HD12 LEU 80 2HD1 LEU 80 21.428 -1.689 -1.013 524 HD13 LEU 80 3HD1 LEU 80 21.613 -0.489 0.287 525 HD21 LEU 80 3HD2 LEU 80 23.423 -2.420 -2.276 526 HD22 LEU 80 1HD2 LEU 80 24.187 -2.790 -0.733 527 HD23 LEU 80 2HD2 LEU 80 24.988 -1.714 -1.877 528 H ASP 81 H ASP 81 23.865 2.877 -0.648 529 HA ASP 81 HA ASP 81 25.889 1.870 1.186 530 HB2 ASP 81 2HB ASP 81 25.386 4.781 0.497 531 HB3 ASP 81 1HB ASP 81 26.341 4.254 1.873 532 H LEU 82 H LEU 82 25.386 3.429 3.290 533 HA LEU 82 HA LEU 82 23.029 2.488 4.307 534 HB2 LEU 82 2HB LEU 82 23.363 4.167 6.168 535 HB3 LEU 82 1HB LEU 82 24.712 3.103 5.856 536 HG LEU 82 HG LEU 82 25.706 5.086 4.529 537 HD11 LEU 82 1HD1 LEU 82 23.669 6.587 6.147 538 HD12 LEU 82 2HD1 LEU 82 23.707 6.451 4.391 539 HD13 LEU 82 3HD1 LEU 82 25.004 7.298 5.239 540 HD21 LEU 82 3HD2 LEU 82 26.575 4.301 6.652 541 HD22 LEU 82 1HD2 LEU 82 25.380 5.272 7.507 542 HD23 LEU 82 2HD2 LEU 82 26.638 6.063 6.558 543 H LEU 83 H LEU 83 23.572 5.330 2.478 544 HA LEU 83 HA LEU 83 21.232 6.812 2.926 545 HB2 LEU 83 2HB LEU 83 23.335 7.354 1.534 546 HB3 LEU 83 1HB LEU 83 22.609 6.387 0.277 547 HG LEU 83 HG LEU 83 22.402 8.854 -0.060 548 HD11 LEU 83 1HD1 LEU 83 20.041 8.930 -0.670 549 HD12 LEU 83 2HD1 LEU 83 19.763 7.448 0.242 550 HD13 LEU 83 3HD1 LEU 83 20.811 7.427 -1.178 551 HD21 LEU 83 3HD2 LEU 83 20.586 8.748 2.338 552 HD22 LEU 83 1HD2 LEU 83 20.833 10.135 1.283 553 HD23 LEU 83 2HD2 LEU 83 22.168 9.524 2.261 554 H GLU 84 H GLU 84 21.909 4.246 0.651 555 HA GLU 84 HA GLU 84 19.320 4.237 -0.474 556 HB2 GLU 84 2HB GLU 84 21.602 2.338 -0.535 557 HB3 GLU 84 1HB GLU 84 20.112 2.039 -1.444 558 HG2 GLU 84 2HG GLU 84 21.971 4.392 -1.753 559 HG3 GLU 84 1HG GLU 84 21.828 3.030 -2.866 560 H LYS 85 H LYS 85 20.979 2.373 1.970 561 HA LYS 85 HA LYS 85 19.049 0.446 2.549 562 HB2 LYS 85 2HB LYS 85 20.897 1.876 4.445 563 HB3 LYS 85 1HB LYS 85 19.897 0.508 4.880 564 HG2 LYS 85 2HG LYS 85 21.111 -0.862 3.264 565 HG3 LYS 85 1HG LYS 85 22.126 0.528 2.882 566 HD2 LYS 85 2HD LYS 85 23.298 -0.890 4.430 567 HD3 LYS 85 1HD LYS 85 22.870 0.602 5.240 568 HE2 LYS 85 2HE LYS 85 21.180 -1.891 5.512 569 HE3 LYS 85 1HE LYS 85 22.573 -1.618 6.539 570 HZ1 LYS 85 3HZ LYS 85 21.449 0.469 7.317 571 HZ2 LYS 85 1HZ LYS 85 20.626 -0.918 7.702 572 HZ3 LYS 85 2HZ LYS 85 20.042 0.058 6.505 573 H PHE 86 H PHE 86 19.499 3.741 3.661 574 HA PHE 86 HA PHE 86 17.566 3.715 5.555 575 HB2 PHE 86 2HB PHE 86 19.211 5.487 5.488 576 HB3 PHE 86 1HB PHE 86 18.638 6.022 3.920 577 HD1 PHE 86 1HD PHE 86 17.982 6.011 7.523 578 HD2 PHE 86 2HD PHE 86 16.701 7.448 3.727 579 HE1 PHE 86 1HE PHE 86 16.541 7.657 8.632 580 HE2 PHE 86 2HE PHE 86 15.251 9.092 4.835 581 HZ PHE 86 HZ PHE 86 15.170 9.197 7.292 582 H ASN 87 H ASN 87 17.297 4.093 2.207 583 HA ASN 87 HA ASN 87 14.614 5.095 2.120 584 HB2 ASN 87 2HB ASN 87 16.510 4.080 0.018 585 HB3 ASN 87 1HB ASN 87 14.815 4.315 -0.364 586 HD21 ASN 87 1HD2 ASN 87 17.853 5.883 0.409 587 HD22 ASN 87 2HD2 ASN 87 17.335 7.450 -0.055 588 H PHE 88 H PHE 88 16.240 2.016 1.853 589 HA PHE 88 HA PHE 88 13.906 0.580 1.068 590 HB2 PHE 88 2HB PHE 88 16.296 -0.629 2.450 591 HB3 PHE 88 1HB PHE 88 15.171 -1.444 1.380 592 HD1 PHE 88 1HD PHE 88 15.167 0.794 -0.749 593 HD2 PHE 88 2HD PHE 88 18.232 -1.236 1.361 594 HE1 PHE 88 1HE PHE 88 16.735 1.282 -2.568 595 HE2 PHE 88 2HE PHE 88 19.789 -0.749 -0.443 596 HZ PHE 88 HZ PHE 88 19.064 0.527 -2.377 597 H GLU 89 H GLU 89 15.645 1.015 4.109 598 HA GLU 89 HA GLU 89 13.738 -0.517 5.457 599 HB2 GLU 89 2HB GLU 89 14.831 0.352 7.547 600 HB3 GLU 89 1HB GLU 89 15.906 -0.475 6.440 601 HG2 GLU 89 2HG GLU 89 16.502 1.865 5.607 602 HG3 GLU 89 1HG GLU 89 15.734 2.433 7.089 603 H ALA 90 H ALA 90 13.993 2.799 4.497 604 HA ALA 90 HA ALA 90 11.959 3.677 6.310 605 HB1 ALA 90 1HB ALA 90 12.583 4.858 3.593 606 HB2 ALA 90 2HB ALA 90 13.350 5.338 5.099 607 HB3 ALA 90 3HB ALA 90 11.628 5.630 4.856 608 H ALA 91 H ALA 91 11.943 2.486 3.024 609 HA ALA 91 HA ALA 91 9.147 2.743 2.638 610 HB1 ALA 91 1HB ALA 91 9.513 1.520 0.594 611 HB2 ALA 91 2HB ALA 91 11.129 1.066 1.128 612 HB3 ALA 91 3HB ALA 91 10.752 2.754 0.795 613 H LEU 92 H LEU 92 11.185 0.128 3.767 614 HA LEU 92 HA LEU 92 9.158 -1.830 3.599 615 HB2 LEU 92 2HB LEU 92 11.507 -1.717 5.498 616 HB3 LEU 92 1HB LEU 92 10.500 -3.124 5.237 617 HG LEU 92 HG LEU 92 12.302 -1.856 3.177 618 HD11 LEU 92 1HD1 LEU 92 13.671 -3.854 3.464 619 HD12 LEU 92 2HD1 LEU 92 12.619 -4.382 4.777 620 HD13 LEU 92 3HD1 LEU 92 13.568 -2.905 4.947 621 HD21 LEU 92 3HD2 LEU 92 10.382 -2.943 2.146 622 HD22 LEU 92 1HD2 LEU 92 10.695 -4.406 3.080 623 HD23 LEU 92 2HD2 LEU 92 11.851 -3.871 1.862 624 H ALA 93 H ALA 93 10.072 0.426 6.126 625 HA ALA 93 HA ALA 93 8.131 -0.569 7.957 626 HB1 ALA 93 1HB ALA 93 8.708 1.368 9.329 627 HB2 ALA 93 2HB ALA 93 9.603 2.067 7.979 628 HB3 ALA 93 3HB ALA 93 10.167 0.579 8.734 629 H THR 94 H THR 94 8.282 2.075 5.672 630 HA THR 94 HA THR 94 5.843 3.168 6.427 631 HB THR 94 HB THR 94 7.246 3.415 3.747 632 HG1 THR 94 1HG THR 94 8.551 4.167 5.358 633 HG21 THR 94 3HG2 THR 94 5.976 5.512 3.506 634 HG22 THR 94 1HG2 THR 94 5.144 5.192 5.028 635 HG23 THR 94 2HG2 THR 94 4.881 4.138 3.639 636 H GLY 95 H GLY 95 6.748 0.765 4.021 637 HA2 GLY 95 2HA GLY 95 4.205 0.464 2.871 638 HA3 GLY 95 1HA GLY 95 5.533 -0.692 2.805 639 H ASP 96 H ASP 96 5.847 -1.003 5.567 640 HA ASP 96 HA ASP 96 4.030 -3.068 6.082 641 HB2 ASP 96 2HB ASP 96 6.191 -3.161 7.088 642 HB3 ASP 96 1HB ASP 96 5.960 -1.602 7.866 643 H LEU 97 H LEU 97 4.145 0.209 7.376 644 HA LEU 97 HA LEU 97 1.986 -0.211 9.167 645 HB2 LEU 97 2HB LEU 97 1.973 2.159 9.551 646 HB3 LEU 97 1HB LEU 97 3.624 1.593 9.473 647 HG LEU 97 HG LEU 97 3.235 2.388 6.917 648 HD11 LEU 97 1HD1 LEU 97 1.644 4.302 8.587 649 HD12 LEU 97 2HD1 LEU 97 1.045 3.275 7.284 650 HD13 LEU 97 3HD1 LEU 97 2.177 4.580 6.928 651 HD21 LEU 97 3HD2 LEU 97 4.488 4.307 7.460 652 HD22 LEU 97 1HD2 LEU 97 5.069 2.855 8.286 653 HD23 LEU 97 2HD2 LEU 97 4.134 4.076 9.200 654 H LEU 98 H LEU 98 2.119 1.200 5.908 655 HA LEU 98 HA LEU 98 -0.654 1.748 5.911 656 HB2 LEU 98 2HB LEU 98 -0.427 2.293 3.559 657 HB3 LEU 98 1HB LEU 98 0.879 3.011 4.479 658 HG LEU 98 HG LEU 98 2.085 0.847 3.797 659 HD11 LEU 98 1HD1 LEU 98 0.305 -0.245 2.609 660 HD12 LEU 98 2HD1 LEU 98 1.586 0.141 1.461 661 HD13 LEU 98 3HD1 LEU 98 0.126 1.133 1.520 662 HD21 LEU 98 3HD2 LEU 98 3.043 2.044 1.801 663 HD22 LEU 98 1HD2 LEU 98 2.929 3.035 3.256 664 HD23 LEU 98 2HD2 LEU 98 1.746 3.224 1.964 665 H LEU 99 H LEU 99 1.282 -1.048 5.168 666 HA LEU 99 HA LEU 99 -0.628 -2.202 3.616 667 HB2 LEU 99 2HB LEU 99 1.847 -2.849 3.810 668 HB3 LEU 99 1HB LEU 99 1.401 -3.777 5.218 669 HG LEU 99 HG LEU 99 0.346 -4.338 2.428 670 HD11 LEU 99 1HD1 LEU 99 2.754 -4.586 2.510 671 HD12 LEU 99 2HD1 LEU 99 1.943 -6.135 2.338 672 HD13 LEU 99 3HD1 LEU 99 2.603 -5.658 3.905 673 HD21 LEU 99 3HD2 LEU 99 0.354 -6.035 4.936 674 HD22 LEU 99 1HD2 LEU 99 -0.259 -6.522 3.354 675 HD23 LEU 99 2HD2 LEU 99 -1.061 -5.233 4.254 676 H LYS 100 H LYS 100 0.160 -2.166 6.980 677 HA LYS 100 HA LYS 100 -1.758 -3.940 7.956 678 HB2 LYS 100 2HB LYS 100 -0.053 -1.804 9.124 679 HB3 LYS 100 1HB LYS 100 -1.485 -2.242 10.036 680 HG2 LYS 100 2HG LYS 100 0.588 -3.426 10.751 681 HG3 LYS 100 1HG LYS 100 -0.732 -4.490 10.291 682 HD2 LYS 100 2HD LYS 100 0.319 -4.913 8.146 683 HD3 LYS 100 1HD LYS 100 1.589 -3.748 8.512 684 HE2 LYS 100 2HE LYS 100 1.054 -6.210 10.160 685 HE3 LYS 100 1HE LYS 100 2.215 -6.142 8.836 686 HZ1 LYS 100 3HZ LYS 100 3.201 -5.810 11.035 687 HZ2 LYS 100 1HZ LYS 100 2.350 -4.361 11.213 688 HZ3 LYS 100 2HZ LYS 100 3.486 -4.547 9.969 689 H ASP 101 H ASP 101 -1.796 -0.580 6.968 690 HA ASP 101 HA ASP 101 -4.351 -0.120 8.073 691 HB2 ASP 101 2HB ASP 101 -2.593 1.469 6.313 692 HB3 ASP 101 1HB ASP 101 -4.320 1.751 6.126 693 H LEU 102 H LEU 102 -3.241 -0.969 4.858 694 HA LEU 102 HA LEU 102 -5.653 -1.050 3.445 695 HB2 LEU 102 2HB LEU 102 -3.264 -2.893 3.219 696 HB3 LEU 102 1HB LEU 102 -4.557 -2.810 2.046 697 HG LEU 102 HG LEU 102 -2.698 -0.505 2.684 698 HD11 LEU 102 1HD1 LEU 102 -1.502 -2.407 1.666 699 HD12 LEU 102 2HD1 LEU 102 -1.614 -1.025 0.579 700 HD13 LEU 102 3HD1 LEU 102 -2.677 -2.412 0.348 701 HD21 LEU 102 3HD2 LEU 102 -3.583 0.448 0.632 702 HD22 LEU 102 1HD2 LEU 102 -4.896 0.156 1.778 703 HD23 LEU 102 2HD2 LEU 102 -4.633 -0.943 0.415 704 H LYS 103 H LYS 103 -4.053 -3.541 5.345 705 HA LYS 103 HA LYS 103 -5.900 -5.587 5.075 706 HB2 LYS 103 2HB LYS 103 -3.572 -5.724 5.809 707 HB3 LYS 103 1HB LYS 103 -3.988 -4.855 7.266 708 HG2 LYS 103 2HG LYS 103 -5.362 -6.717 7.989 709 HG3 LYS 103 1HG LYS 103 -4.949 -7.592 6.502 710 HD2 LYS 103 2HD LYS 103 -2.579 -7.343 7.056 711 HD3 LYS 103 1HD LYS 103 -3.030 -6.588 8.576 712 HE2 LYS 103 2HE LYS 103 -2.496 -8.955 8.928 713 HE3 LYS 103 1HE LYS 103 -4.194 -8.634 9.261 714 HZ1 LYS 103 3HZ LYS 103 -4.768 -9.541 7.108 715 HZ2 LYS 103 1HZ LYS 103 -3.872 -10.658 7.985 716 HZ3 LYS 103 2HZ LYS 103 -3.154 -9.778 6.727 717 H ALA 104 H ALA 104 -5.582 -3.071 7.621 718 HA ALA 104 HA ALA 104 -7.651 -4.123 9.221 719 HB1 ALA 104 1HB ALA 104 -7.483 -2.037 10.478 720 HB2 ALA 104 2HB ALA 104 -6.509 -1.330 9.191 721 HB3 ALA 104 3HB ALA 104 -5.879 -2.682 10.129 722 H LEU 105 H LEU 105 -7.521 -1.687 6.685 723 HA LEU 105 HA LEU 105 -10.128 -0.860 7.203 724 HB2 LEU 105 2HB LEU 105 -9.921 0.706 5.507 725 HB3 LEU 105 1HB LEU 105 -8.254 0.461 5.955 726 HG LEU 105 HG LEU 105 -8.486 -1.324 3.964 727 HD11 LEU 105 1HD1 LEU 105 -9.698 -0.272 2.106 728 HD12 LEU 105 2HD1 LEU 105 -10.354 0.915 3.235 729 HD13 LEU 105 3HD1 LEU 105 -10.742 -0.797 3.424 730 HD21 LEU 105 3HD2 LEU 105 -7.338 0.292 2.561 731 HD22 LEU 105 1HD2 LEU 105 -6.765 0.428 4.222 732 HD23 LEU 105 2HD2 LEU 105 -7.905 1.613 3.583 733 H GLN 106 H GLN 106 -8.624 -3.304 5.172 734 HA GLN 106 HA GLN 106 -10.870 -3.935 3.593 735 HB2 GLN 106 2HB GLN 106 -8.566 -4.753 3.113 736 HB3 GLN 106 1HB GLN 106 -8.615 -5.711 4.580 737 HG2 GLN 106 2HG GLN 106 -10.393 -7.067 3.657 738 HG3 GLN 106 1HG GLN 106 -10.404 -6.073 2.200 739 HE21 GLN 106 1HE2 GLN 106 -9.910 -7.805 0.846 740 HE22 GLN 106 2HE2 GLN 106 -8.372 -8.537 0.803 741 H LYS 107 H LYS 107 -9.936 -5.107 6.751 742 HA LYS 107 HA LYS 107 -12.279 -6.678 6.857 743 HB2 LYS 107 2HB LYS 107 -10.274 -5.940 8.917 744 HB3 LYS 107 1HB LYS 107 -11.845 -6.487 9.476 745 HG2 LYS 107 2HG LYS 107 -10.456 -8.396 9.436 746 HG3 LYS 107 1HG LYS 107 -11.529 -8.536 8.050 747 HD2 LYS 107 2HD LYS 107 -9.386 -9.208 7.318 748 HD3 LYS 107 1HD LYS 107 -9.632 -7.586 6.669 749 HE2 LYS 107 2HE LYS 107 -7.373 -7.874 7.580 750 HE3 LYS 107 1HE LYS 107 -8.275 -6.642 8.449 751 HZ1 LYS 107 3HZ LYS 107 -7.858 -9.443 9.378 752 HZ2 LYS 107 1HZ LYS 107 -8.696 -8.231 10.206 753 HZ3 LYS 107 2HZ LYS 107 -7.058 -8.075 9.947 754 H ARG 108 H ARG 108 -11.711 -3.343 7.598 755 HA ARG 108 HA ARG 108 -14.126 -2.891 9.052 756 HB2 ARG 108 2HB ARG 108 -12.171 -1.360 9.161 757 HB3 ARG 108 1HB ARG 108 -12.433 -0.933 7.476 758 HG2 ARG 108 2HG ARG 108 -14.628 0.012 8.068 759 HG3 ARG 108 1HG ARG 108 -14.328 -0.388 9.760 760 HD2 ARG 108 2HD ARG 108 -13.789 1.933 9.432 761 HD3 ARG 108 1HD ARG 108 -12.297 1.034 9.675 762 HE ARG 108 HE ARG 108 -13.176 1.606 6.953 763 HH11 ARG 108 1HH1 ARG 108 -10.895 2.270 9.582 764 HH12 ARG 108 2HH1 ARG 108 -9.746 3.044 8.599 765 HH21 ARG 108 1HH2 ARG 108 -11.602 2.705 5.589 766 HH22 ARG 108 2HH2 ARG 108 -10.155 3.296 6.276 767 H VAL 109 H VAL 109 -13.142 -2.554 5.698 768 HA VAL 109 HA VAL 109 -15.555 -1.571 4.751 769 HB VAL 109 HB VAL 109 -13.372 -3.115 3.376 770 HG11 VAL 109 1HG1 VAL 109 -15.523 -3.295 2.133 771 HG12 VAL 109 2HG1 VAL 109 -14.287 -2.407 1.257 772 HG13 VAL 109 3HG1 VAL 109 -15.593 -1.528 2.062 773 HG21 VAL 109 3HG2 VAL 109 -12.720 -0.976 4.273 774 HG22 VAL 109 1HG2 VAL 109 -14.052 -0.195 3.427 775 HG23 VAL 109 2HG2 VAL 109 -12.738 -0.924 2.506 776 H GLN 110 H GLN 110 -14.194 -4.816 4.925 777 HA GLN 110 HA GLN 110 -16.350 -6.259 3.936 778 HB2 GLN 110 2HB GLN 110 -14.223 -7.297 4.216 779 HB3 GLN 110 1HB GLN 110 -14.171 -6.874 5.910 780 HG2 GLN 110 2HG GLN 110 -14.476 -9.200 5.759 781 HG3 GLN 110 1HG GLN 110 -15.979 -8.497 6.319 782 HE21 GLN 110 1HE2 GLN 110 -17.001 -7.748 3.653 783 HE22 GLN 110 2HE2 GLN 110 -17.357 -9.220 2.871 784 H ASP 111 H ASP 111 -15.684 -4.830 7.000 785 HA ASP 111 HA ASP 111 -17.527 -6.192 8.556 786 HB2 ASP 111 2HB ASP 111 -15.564 -5.025 9.456 787 HB3 ASP 111 1HB ASP 111 -16.295 -3.490 9.039 788 H SER 112 H SER 112 -17.778 -3.225 6.549 789 HA SER 112 HA SER 112 -20.228 -2.515 7.854 790 HB2 SER 112 2HB SER 112 -20.196 -0.664 6.107 791 HB3 SER 112 1HB SER 112 -18.859 -0.658 7.256 792 HG SER 112 HG SER 112 -17.625 -0.761 5.654 793 H GLU 113 H GLU 113 -19.055 -4.177 5.142 794 HA GLU 113 HA GLU 113 -19.948 -5.508 3.586 795 HB2 GLU 113 2HB GLU 113 -20.976 -6.432 5.715 796 HB3 GLU 113 1HB GLU 113 -22.431 -5.541 5.299 797 HG2 GLU 113 2HG GLU 113 -22.802 -7.701 4.546 798 HG3 GLU 113 1HG GLU 113 -22.365 -6.744 3.114 Start of MODEL 13 1 H1 ASN 18 1HT ASN 18 14.591 10.011 0.328 2 H2 ASN 18 2HT ASN 18 14.404 10.983 1.665 3 H3 ASN 18 3HT ASN 18 14.046 11.587 0.116 4 HA ASN 18 HA ASN 18 12.663 9.360 1.479 5 HB2 ASN 18 2HB ASN 18 10.713 10.900 1.677 6 HB3 ASN 18 1HB ASN 18 12.093 11.421 2.630 7 HD21 ASN 18 1HD2 ASN 18 10.031 12.144 -0.087 8 HD22 ASN 18 2HD2 ASN 18 10.637 13.739 -0.353 9 H THR 19 H THR 19 13.802 9.523 -1.303 10 HA THR 19 HA THR 19 11.713 10.001 -3.093 11 HB THR 19 HB THR 19 14.042 9.966 -3.884 12 HG1 THR 19 1HG THR 19 13.741 8.812 -5.748 13 HG21 THR 19 3HG2 THR 19 14.015 6.983 -3.349 14 HG22 THR 19 1HG2 THR 19 14.936 8.172 -2.427 15 HG23 THR 19 2HG2 THR 19 15.322 7.880 -4.122 16 H ALA 20 H ALA 20 12.732 7.058 -1.448 17 HA ALA 20 HA ALA 20 10.903 5.367 -2.791 18 HB1 ALA 20 1HB ALA 20 12.225 4.959 -0.114 19 HB2 ALA 20 2HB ALA 20 12.926 4.542 -1.677 20 HB3 ALA 20 3HB ALA 20 11.479 3.711 -1.113 21 H THR 21 H THR 21 10.744 7.215 0.215 22 HA THR 21 HA THR 21 8.305 6.294 1.204 23 HB THR 21 HB THR 21 9.251 9.109 1.415 24 HG1 THR 21 1HG THR 21 10.444 7.559 3.264 25 HG21 THR 21 3HG2 THR 21 8.164 7.126 3.437 26 HG22 THR 21 1HG2 THR 21 7.250 8.424 2.671 27 HG23 THR 21 2HG2 THR 21 8.571 8.807 3.776 28 H GLN 22 H GLN 22 9.220 8.919 -0.978 29 HA GLN 22 HA GLN 22 6.710 10.108 -1.375 30 HB2 GLN 22 2HB GLN 22 8.875 11.153 -1.944 31 HB3 GLN 22 1HB GLN 22 9.109 9.968 -3.213 32 HG2 GLN 22 2HG GLN 22 8.407 12.112 -4.108 33 HG3 GLN 22 1HG GLN 22 7.202 10.869 -4.418 34 HE21 GLN 22 1HE2 GLN 22 5.224 11.036 -3.491 35 HE22 GLN 22 2HE2 GLN 22 4.677 12.440 -2.648 36 H ARG 23 H ARG 23 8.415 7.510 -2.960 37 HA ARG 23 HA ARG 23 6.609 7.058 -5.069 38 HB2 ARG 23 2HB ARG 23 9.013 6.217 -4.780 39 HB3 ARG 23 1HB ARG 23 8.334 4.977 -3.738 40 HG2 ARG 23 2HG ARG 23 6.935 4.222 -5.597 41 HG3 ARG 23 1HG ARG 23 7.713 5.412 -6.646 42 HD2 ARG 23 2HD ARG 23 9.903 4.333 -6.018 43 HD3 ARG 23 1HD ARG 23 8.964 3.037 -5.282 44 HE ARG 23 HE ARG 23 9.045 3.741 -8.121 45 HH11 ARG 23 1HH1 ARG 23 8.046 1.403 -5.650 46 HH12 ARG 23 2HH1 ARG 23 7.867 0.118 -6.759 47 HH21 ARG 23 1HH2 ARG 23 8.791 2.012 -9.591 48 HH22 ARG 23 2HH2 ARG 23 8.275 0.471 -9.064 49 H PHE 24 H PHE 24 6.700 6.061 -1.702 50 HA PHE 24 HA PHE 24 4.562 4.184 -2.076 51 HB2 PHE 24 2HB PHE 24 6.286 4.919 0.248 52 HB3 PHE 24 1HB PHE 24 4.722 4.180 0.569 53 HD1 PHE 24 1HD PHE 24 6.694 3.372 -2.420 54 HD2 PHE 24 2HD PHE 24 5.659 2.147 1.536 55 HE1 PHE 24 1HE PHE 24 7.613 1.146 -2.860 56 HE2 PHE 24 2HE PHE 24 6.579 -0.072 1.078 57 HZ PHE 24 HZ PHE 24 7.548 -0.583 -1.107 58 H HIS 25 H HIS 25 4.694 7.451 -1.789 59 HA HIS 25 HA HIS 25 2.336 7.759 -0.217 60 HB2 HIS 25 2HB HIS 25 4.050 9.631 -0.612 61 HB3 HIS 25 1HB HIS 25 3.344 9.807 -2.216 62 HD1 HIS 25 1HD HIS 25 2.725 10.574 1.378 63 HD2 HIS 25 2HD HIS 25 0.701 10.931 -2.232 64 HE1 HIS 25 1HE HIS 25 0.760 12.030 1.850 65 HE2 HIS 25 2HE HIS 25 -0.231 12.483 -0.408 66 H GLU 26 H GLU 26 2.983 6.891 -3.455 67 HA GLU 26 HA GLU 26 0.405 7.455 -4.516 68 HB2 GLU 26 2HB GLU 26 2.708 5.740 -5.347 69 HB3 GLU 26 1HB GLU 26 1.154 5.551 -6.152 70 HG2 GLU 26 2HG GLU 26 2.509 8.204 -5.880 71 HG3 GLU 26 1HG GLU 26 2.818 7.122 -7.238 72 H ILE 27 H ILE 27 1.771 4.878 -2.653 73 HA ILE 27 HA ILE 27 -0.464 3.112 -3.064 74 HB ILE 27 HB ILE 27 1.514 2.917 -0.772 75 HG12 ILE 27 2HG1 ILE 27 2.861 3.196 -2.801 76 HG13 ILE 27 1HG1 ILE 27 2.978 1.536 -2.232 77 HG21 ILE 27 1HG2 ILE 27 -0.034 0.851 -2.341 78 HG22 ILE 27 2HG2 ILE 27 -0.394 1.402 -0.704 79 HG23 ILE 27 3HG2 ILE 27 1.081 0.493 -1.028 80 HD11 ILE 27 3HD1 ILE 27 1.274 2.522 -4.512 81 HD12 ILE 27 1HD1 ILE 27 1.418 0.847 -3.974 82 HD13 ILE 27 2HD1 ILE 27 2.815 1.677 -4.666 83 H GLU 28 H GLU 28 0.691 5.385 -0.685 84 HA GLU 28 HA GLU 28 -1.306 5.299 1.272 85 HB2 GLU 28 2HB GLU 28 0.796 6.593 1.406 86 HB3 GLU 28 1HB GLU 28 0.237 7.638 0.129 87 HG2 GLU 28 2HG GLU 28 -0.010 8.815 2.175 88 HG3 GLU 28 1HG GLU 28 -1.621 8.375 1.621 89 H LYS 29 H LYS 29 -1.087 6.947 -1.816 90 HA LYS 29 HA LYS 29 -3.491 8.375 -1.734 91 HB2 LYS 29 2HB LYS 29 -1.459 8.753 -3.206 92 HB3 LYS 29 1HB LYS 29 -1.995 7.408 -4.182 93 HG2 LYS 29 2HG LYS 29 -3.660 9.888 -3.751 94 HG3 LYS 29 1HG LYS 29 -2.460 9.718 -5.029 95 HD2 LYS 29 2HD LYS 29 -4.810 7.874 -4.661 96 HD3 LYS 29 1HD LYS 29 -4.802 9.258 -5.753 97 HE2 LYS 29 2HE LYS 29 -3.013 6.821 -5.887 98 HE3 LYS 29 1HE LYS 29 -4.317 7.247 -6.986 99 HZ1 LYS 29 3HZ LYS 29 -2.325 7.876 -8.045 100 HZ2 LYS 29 1HZ LYS 29 -1.703 8.681 -6.706 101 HZ3 LYS 29 2HZ LYS 29 -3.022 9.292 -7.538 102 H PHE 30 H PHE 30 -2.672 5.155 -3.006 103 HA PHE 30 HA PHE 30 -5.236 4.440 -3.942 104 HB2 PHE 30 2HB PHE 30 -2.837 2.966 -3.085 105 HB3 PHE 30 1HB PHE 30 -4.360 2.093 -2.989 106 HD1 PHE 30 2HD PHE 30 -2.016 3.787 -5.286 107 HD2 PHE 30 1HD PHE 30 -5.476 1.340 -4.935 108 HE1 PHE 30 2HE PHE 30 -1.904 3.272 -7.689 109 HE2 PHE 30 1HE PHE 30 -5.367 0.822 -7.330 110 HZ PHE 30 HZ PHE 30 -3.581 1.789 -8.712 111 H LEU 31 H LEU 31 -3.740 4.193 -0.804 112 HA LEU 31 HA LEU 31 -5.787 2.847 0.522 113 HB2 LEU 31 2HB LEU 31 -3.452 3.139 1.289 114 HB3 LEU 31 1HB LEU 31 -3.774 4.823 1.598 115 HG LEU 31 HG LEU 31 -5.340 4.182 3.399 116 HD11 LEU 31 1HD1 LEU 31 -6.074 2.052 2.483 117 HD12 LEU 31 2HD1 LEU 31 -5.425 1.859 4.112 118 HD13 LEU 31 3HD1 LEU 31 -4.453 1.396 2.716 119 HD21 LEU 31 3HD2 LEU 31 -2.626 2.890 3.563 120 HD22 LEU 31 1HD2 LEU 31 -3.660 3.293 4.933 121 HD23 LEU 31 2HD2 LEU 31 -2.993 4.577 3.922 122 H LEU 32 H LEU 32 -5.292 6.294 -0.114 123 HA LEU 32 HA LEU 32 -7.481 7.328 1.357 124 HB2 LEU 32 2HB LEU 32 -6.481 8.377 -1.294 125 HB3 LEU 32 1HB LEU 32 -7.401 9.268 -0.103 126 HG LEU 32 HG LEU 32 -4.682 8.192 0.293 127 HD11 LEU 32 1HD1 LEU 32 -4.748 9.962 -1.478 128 HD12 LEU 32 2HD1 LEU 32 -3.912 10.546 -0.046 129 HD13 LEU 32 3HD1 LEU 32 -5.577 11.037 -0.351 130 HD21 LEU 32 3HD2 LEU 32 -5.954 8.578 2.352 131 HD22 LEU 32 1HD2 LEU 32 -6.245 10.239 1.864 132 HD23 LEU 32 2HD2 LEU 32 -4.602 9.705 2.238 133 H HIS 33 H HIS 33 -6.988 6.322 -1.852 134 HA HIS 33 HA HIS 33 -9.526 6.780 -2.989 135 HB2 HIS 33 2HB HIS 33 -7.513 6.208 -4.347 136 HB3 HIS 33 1HB HIS 33 -7.615 4.554 -3.764 137 HD1 HIS 33 1HD HIS 33 -8.933 2.939 -5.322 138 HD2 HIS 33 2HD HIS 33 -9.944 6.968 -5.847 139 HE1 HIS 33 1HE HIS 33 -10.479 2.998 -7.201 140 HE2 HIS 33 2HE HIS 33 -10.783 5.440 -7.715 141 H ILE 34 H ILE 34 -8.290 3.819 -1.441 142 HA ILE 34 HA ILE 34 -10.572 2.300 -1.833 143 HB ILE 34 HB ILE 34 -8.460 2.139 0.346 144 HG12 ILE 34 2HG1 ILE 34 -8.694 0.490 -2.177 145 HG13 ILE 34 1HG1 ILE 34 -7.706 1.940 -2.050 146 HG21 ILE 34 1HG2 ILE 34 -9.152 -0.190 0.655 147 HG22 ILE 34 2HG2 ILE 34 -10.459 0.040 -0.501 148 HG23 ILE 34 3HG2 ILE 34 -10.472 0.920 1.028 149 HD11 ILE 34 3HD1 ILE 34 -7.388 -0.500 -0.332 150 HD12 ILE 34 1HD1 ILE 34 -6.337 0.906 -0.374 151 HD13 ILE 34 2HD1 ILE 34 -6.432 -0.160 -1.780 152 H THR 35 H THR 35 -9.609 4.325 0.904 153 HA THR 35 HA THR 35 -11.895 3.781 2.442 154 HB THR 35 HB THR 35 -10.232 6.272 2.472 155 HG1 THR 35 1HG THR 35 -8.693 4.721 2.844 156 HG21 THR 35 3HG2 THR 35 -11.768 4.849 4.656 157 HG22 THR 35 1HG2 THR 35 -12.239 6.357 3.872 158 HG23 THR 35 2HG2 THR 35 -10.788 6.302 4.872 159 H HIS 36 H HIS 36 -11.184 6.271 0.022 160 HA HIS 36 HA HIS 36 -13.551 7.764 0.322 161 HB2 HIS 36 2HB HIS 36 -11.629 7.491 -1.959 162 HB3 HIS 36 1HB HIS 36 -13.141 8.358 -2.175 163 HD1 HIS 36 1HD HIS 36 -9.805 9.126 -1.644 164 HD2 HIS 36 2HD HIS 36 -13.308 10.322 0.237 165 HE1 HIS 36 1HE HIS 36 -9.256 11.281 -0.517 166 HE2 HIS 36 2HE HIS 36 -11.348 11.904 0.745 167 H GLU 37 H GLU 37 -12.863 4.911 -1.568 168 HA GLU 37 HA GLU 37 -15.360 4.924 -2.871 169 HB2 GLU 37 2HB GLU 37 -13.423 2.674 -2.414 170 HB3 GLU 37 1HB GLU 37 -14.826 2.572 -3.474 171 HG2 GLU 37 2HG GLU 37 -12.442 4.385 -3.790 172 HG3 GLU 37 1HG GLU 37 -12.816 2.961 -4.756 173 H VAL 38 H VAL 38 -14.203 3.310 0.102 174 HA VAL 38 HA VAL 38 -16.558 2.086 0.754 175 HB VAL 38 HB VAL 38 -14.643 3.368 2.725 176 HG11 VAL 38 1HG1 VAL 38 -15.470 1.558 4.237 177 HG12 VAL 38 2HG1 VAL 38 -16.493 0.975 2.922 178 HG13 VAL 38 3HG1 VAL 38 -16.820 2.548 3.648 179 HG21 VAL 38 3HG2 VAL 38 -13.504 1.198 2.807 180 HG22 VAL 38 1HG2 VAL 38 -13.407 1.922 1.202 181 HG23 VAL 38 2HG2 VAL 38 -14.543 0.607 1.514 182 H ASP 39 H ASP 39 -15.440 5.339 1.286 183 HA ASP 39 HA ASP 39 -17.618 6.127 2.756 184 HB2 ASP 39 2HB ASP 39 -15.639 7.488 2.776 185 HB3 ASP 39 1HB ASP 39 -15.746 7.752 1.047 186 H ASP 40 H ASP 40 -16.957 6.218 -0.694 187 HA ASP 40 HA ASP 40 -19.297 7.537 -1.404 188 HB2 ASP 40 2HB ASP 40 -17.210 7.417 -2.811 189 HB3 ASP 40 1HB ASP 40 -17.666 5.778 -3.219 190 H LEU 41 H LEU 41 -18.543 4.186 -0.858 191 HA LEU 41 HA LEU 41 -20.930 3.341 -2.073 192 HB2 LEU 41 2HB LEU 41 -20.532 1.150 -1.089 193 HB3 LEU 41 1HB LEU 41 -19.142 1.764 -1.932 194 HG LEU 41 HG LEU 41 -18.478 2.451 0.523 195 HD11 LEU 41 1HD1 LEU 41 -20.495 1.614 1.577 196 HD12 LEU 41 2HD1 LEU 41 -19.087 0.687 2.098 197 HD13 LEU 41 3HD1 LEU 41 -20.198 0.008 0.905 198 HD21 LEU 41 3HD2 LEU 41 -17.144 1.184 -0.993 199 HD22 LEU 41 1HD2 LEU 41 -18.195 -0.212 -0.797 200 HD23 LEU 41 2HD2 LEU 41 -17.215 0.329 0.557 201 H GLU 42 H GLU 42 -20.081 4.350 1.125 202 HA GLU 42 HA GLU 42 -22.418 3.561 2.376 203 HB2 GLU 42 2HB GLU 42 -20.670 5.940 2.977 204 HB3 GLU 42 1HB GLU 42 -21.958 5.370 4.022 205 HG2 GLU 42 2HG GLU 42 -20.755 3.232 4.261 206 HG3 GLU 42 1HG GLU 42 -19.444 3.902 3.289 207 H LYS 43 H LYS 43 -21.689 6.295 0.293 208 HA LYS 43 HA LYS 43 -24.237 7.555 0.969 209 HB2 LYS 43 2HB LYS 43 -23.346 9.427 -0.451 210 HB3 LYS 43 1HB LYS 43 -22.390 9.081 0.987 211 HG2 LYS 43 2HG LYS 43 -20.850 7.779 -0.328 212 HG3 LYS 43 1HG LYS 43 -21.774 8.094 -1.791 213 HD2 LYS 43 2HD LYS 43 -20.409 10.211 -0.122 214 HD3 LYS 43 1HD LYS 43 -19.710 9.382 -1.513 215 HE2 LYS 43 2HE LYS 43 -22.259 10.941 -1.684 216 HE3 LYS 43 1HE LYS 43 -20.674 11.639 -2.013 217 HZ1 LYS 43 3HZ LYS 43 -21.559 10.929 -4.083 218 HZ2 LYS 43 1HZ LYS 43 -22.006 9.415 -3.484 219 HZ3 LYS 43 2HZ LYS 43 -20.394 9.784 -3.680 220 H THR 44 H THR 44 -22.784 5.560 -1.409 221 HA THR 44 HA THR 44 -24.834 6.171 -3.383 222 HB THR 44 HB THR 44 -21.927 6.640 -3.726 223 HG1 THR 44 1HG THR 44 -24.145 8.290 -3.364 224 HG21 THR 44 3HG2 THR 44 -24.146 6.987 -5.709 225 HG22 THR 44 1HG2 THR 44 -22.840 5.769 -5.667 226 HG23 THR 44 2HG2 THR 44 -22.420 7.474 -5.892 227 H GLY 45 H GLY 45 -21.564 4.814 -3.598 228 HA2 GLY 45 2HA GLY 45 -22.670 2.790 -5.415 229 HA3 GLY 45 1HA GLY 45 -20.992 3.279 -5.332 230 H ASN 46 H ASN 46 -23.382 1.799 -3.243 231 HA ASN 46 HA ASN 46 -21.296 -0.120 -2.453 232 HB2 ASN 46 2HB ASN 46 -22.608 -0.720 -0.496 233 HB3 ASN 46 1HB ASN 46 -22.473 1.026 -0.573 234 HD21 ASN 46 1HD2 ASN 46 -24.337 -0.756 0.735 235 HD22 ASN 46 2HD2 ASN 46 -25.929 -0.259 0.262 236 H LYS 47 H LYS 47 -22.919 -0.137 -4.921 237 HA LYS 47 HA LYS 47 -24.816 -2.266 -4.800 238 HB2 LYS 47 2HB LYS 47 -23.315 -1.157 -7.163 239 HB3 LYS 47 1HB LYS 47 -24.760 -2.152 -7.243 240 HG2 LYS 47 2HG LYS 47 -26.089 -0.423 -6.266 241 HG3 LYS 47 1HG LYS 47 -24.660 0.551 -5.926 242 HD2 LYS 47 2HD LYS 47 -25.651 -0.205 -8.677 243 HD3 LYS 47 1HD LYS 47 -25.894 1.359 -7.903 244 HE2 LYS 47 2HE LYS 47 -23.390 1.582 -7.761 245 HE3 LYS 47 1HE LYS 47 -23.261 0.113 -8.720 246 HZ1 LYS 47 3HZ LYS 47 -23.071 2.066 -10.096 247 HZ2 LYS 47 1HZ LYS 47 -24.563 2.632 -9.574 248 HZ3 LYS 47 2HZ LYS 47 -24.469 1.236 -10.507 249 H ASP 48 H ASP 48 -21.554 -2.007 -5.994 250 HA ASP 48 HA ASP 48 -21.036 -4.880 -5.574 251 HB2 ASP 48 2HB ASP 48 -21.945 -4.758 -7.864 252 HB3 ASP 48 1HB ASP 48 -20.750 -3.544 -8.281 253 H GLU 49 H GLU 49 -20.116 -1.685 -5.837 254 HA GLU 49 HA GLU 49 -17.414 -1.721 -6.434 255 HB2 GLU 49 2HB GLU 49 -19.059 0.209 -4.833 256 HB3 GLU 49 1HB GLU 49 -17.434 0.506 -5.402 257 HG2 GLU 49 2HG GLU 49 -19.057 1.657 -6.774 258 HG3 GLU 49 1HG GLU 49 -18.238 0.420 -7.718 259 H LYS 50 H LYS 50 -19.067 -2.211 -3.378 260 HA LYS 50 HA LYS 50 -16.835 -1.605 -1.766 261 HB2 LYS 50 2HB LYS 50 -19.364 -1.862 -1.106 262 HB3 LYS 50 1HB LYS 50 -19.033 -3.563 -1.054 263 HG2 LYS 50 2HG LYS 50 -17.543 -1.582 0.716 264 HG3 LYS 50 1HG LYS 50 -18.993 -2.432 1.210 265 HD2 LYS 50 2HD LYS 50 -16.431 -3.551 0.328 266 HD3 LYS 50 1HD LYS 50 -16.932 -3.250 1.990 267 HE2 LYS 50 2HE LYS 50 -18.309 -5.183 0.067 268 HE3 LYS 50 1HE LYS 50 -17.331 -5.655 1.451 269 HZ1 LYS 50 3HZ LYS 50 -19.697 -5.758 1.946 270 HZ2 LYS 50 1HZ LYS 50 -19.889 -4.121 1.613 271 HZ3 LYS 50 2HZ LYS 50 -18.954 -4.641 2.926 272 H ALA 51 H ALA 51 -18.140 -4.588 -2.923 273 HA ALA 51 HA ALA 51 -16.072 -6.281 -1.947 274 HB1 ALA 51 1HB ALA 51 -17.943 -6.782 -4.267 275 HB2 ALA 51 2HB ALA 51 -18.311 -7.110 -2.577 276 HB3 ALA 51 3HB ALA 51 -17.029 -8.006 -3.383 277 H ARG 52 H ARG 52 -16.637 -4.721 -5.035 278 HA ARG 52 HA ARG 52 -14.477 -5.748 -6.490 279 HB2 ARG 52 2HB ARG 52 -16.407 -4.485 -7.405 280 HB3 ARG 52 1HB ARG 52 -15.731 -3.023 -6.706 281 HG2 ARG 52 2HG ARG 52 -13.740 -3.279 -8.104 282 HG3 ARG 52 1HG ARG 52 -14.455 -4.721 -8.831 283 HD2 ARG 52 2HD ARG 52 -15.566 -1.923 -8.929 284 HD3 ARG 52 1HD ARG 52 -14.822 -2.808 -10.262 285 HE ARG 52 HE ARG 52 -17.074 -4.157 -9.108 286 HH11 ARG 52 1HH1 ARG 52 -16.125 -1.737 -11.531 287 HH12 ARG 52 2HH1 ARG 52 -17.607 -1.896 -12.381 288 HH21 ARG 52 1HH2 ARG 52 -18.960 -4.320 -10.227 289 HH22 ARG 52 2HH2 ARG 52 -19.274 -3.398 -11.652 290 H LEU 53 H LEU 53 -14.737 -2.857 -4.373 291 HA LEU 53 HA LEU 53 -12.236 -1.836 -4.827 292 HB2 LEU 53 2HB LEU 53 -13.966 -0.589 -3.838 293 HB3 LEU 53 1HB LEU 53 -14.162 -1.764 -2.548 294 HG LEU 53 HG LEU 53 -11.929 -1.320 -1.905 295 HD11 LEU 53 1HD1 LEU 53 -11.207 -0.215 -4.045 296 HD12 LEU 53 2HD1 LEU 53 -10.760 0.661 -2.618 297 HD13 LEU 53 3HD1 LEU 53 -12.146 1.216 -3.584 298 HD21 LEU 53 3HD2 LEU 53 -13.688 -0.480 -0.601 299 HD22 LEU 53 1HD2 LEU 53 -13.987 0.847 -1.725 300 HD23 LEU 53 2HD2 LEU 53 -12.526 0.838 -0.743 301 H LEU 54 H LEU 54 -13.433 -4.244 -2.560 302 HA LEU 54 HA LEU 54 -11.067 -4.521 -1.091 303 HB2 LEU 54 2HB LEU 54 -13.240 -6.546 -1.594 304 HB3 LEU 54 1HB LEU 54 -11.980 -6.705 -0.380 305 HG LEU 54 HG LEU 54 -14.106 -4.574 -0.457 306 HD11 LEU 54 1HD1 LEU 54 -14.984 -6.704 0.214 307 HD12 LEU 54 2HD1 LEU 54 -14.907 -5.600 1.587 308 HD13 LEU 54 3HD1 LEU 54 -13.704 -6.879 1.416 309 HD21 LEU 54 3HD2 LEU 54 -12.078 -3.621 0.442 310 HD22 LEU 54 1HD2 LEU 54 -11.861 -5.014 1.506 311 HD23 LEU 54 2HD2 LEU 54 -13.214 -3.914 1.747 312 H ARG 55 H ARG 55 -12.073 -5.844 -4.114 313 HA ARG 55 HA ARG 55 -9.852 -7.679 -4.432 314 HB2 ARG 55 2HB ARG 55 -11.446 -6.279 -6.608 315 HB3 ARG 55 1HB ARG 55 -10.386 -7.653 -6.835 316 HG2 ARG 55 2HG ARG 55 -12.962 -7.668 -5.276 317 HG3 ARG 55 1HG ARG 55 -12.756 -8.250 -6.924 318 HD2 ARG 55 2HD ARG 55 -11.084 -9.894 -6.050 319 HD3 ARG 55 1HD ARG 55 -11.499 -9.351 -4.421 320 HE ARG 55 HE ARG 55 -13.792 -10.092 -5.912 321 HH11 ARG 55 1HH1 ARG 55 -11.158 -11.484 -4.008 322 HH12 ARG 55 2HH1 ARG 55 -12.018 -12.903 -3.600 323 HH21 ARG 55 1HH2 ARG 55 -14.964 -11.987 -5.325 324 HH22 ARG 55 2HH2 ARG 55 -14.248 -13.192 -4.345 325 H GLU 56 H GLU 56 -10.425 -4.279 -5.179 326 HA GLU 56 HA GLU 56 -8.045 -3.814 -6.568 327 HB2 GLU 56 2HB GLU 56 -9.798 -2.156 -6.706 328 HB3 GLU 56 1HB GLU 56 -9.775 -1.912 -4.964 329 HG2 GLU 56 2HG GLU 56 -7.648 -0.933 -5.037 330 HG3 GLU 56 1HG GLU 56 -7.437 -1.326 -6.747 331 H LEU 57 H LEU 57 -8.753 -3.814 -3.122 332 HA LEU 57 HA LEU 57 -6.161 -2.850 -2.583 333 HB2 LEU 57 2HB LEU 57 -6.579 -3.149 -0.197 334 HB3 LEU 57 1HB LEU 57 -7.882 -2.310 -0.989 335 HG LEU 57 HG LEU 57 -9.105 -4.552 -0.946 336 HD11 LEU 57 1HD1 LEU 57 -8.437 -6.067 0.862 337 HD12 LEU 57 2HD1 LEU 57 -7.004 -5.093 1.144 338 HD13 LEU 57 3HD1 LEU 57 -7.187 -5.952 -0.379 339 HD21 LEU 57 3HD2 LEU 57 -9.685 -2.611 0.389 340 HD22 LEU 57 1HD2 LEU 57 -8.491 -3.075 1.599 341 HD23 LEU 57 2HD2 LEU 57 -9.901 -4.099 1.300 342 H THR 58 H THR 58 -7.516 -6.005 -2.984 343 HA THR 58 HA THR 58 -5.389 -7.436 -2.023 344 HB THR 58 HB THR 58 -7.092 -8.109 -4.453 345 HG1 THR 58 1HG THR 58 -7.442 -8.361 -1.665 346 HG21 THR 58 3HG2 THR 58 -5.107 -9.564 -4.228 347 HG22 THR 58 1HG2 THR 58 -6.588 -10.456 -3.880 348 HG23 THR 58 2HG2 THR 58 -5.555 -9.910 -2.561 349 H VAL 59 H VAL 59 -5.974 -5.872 -5.119 350 HA VAL 59 HA VAL 59 -3.570 -6.590 -6.443 351 HB VAL 59 HB VAL 59 -5.193 -4.055 -6.861 352 HG11 VAL 59 1HG1 VAL 59 -4.300 -4.100 -9.140 353 HG12 VAL 59 2HG1 VAL 59 -3.363 -5.535 -8.737 354 HG13 VAL 59 3HG1 VAL 59 -3.012 -4.005 -7.937 355 HG21 VAL 59 3HG2 VAL 59 -6.390 -5.254 -8.623 356 HG22 VAL 59 1HG2 VAL 59 -6.655 -5.992 -7.045 357 HG23 VAL 59 2HG2 VAL 59 -5.541 -6.736 -8.196 358 H SER 60 H SER 60 -4.540 -3.923 -4.395 359 HA SER 60 HA SER 60 -2.273 -2.333 -4.651 360 HB2 SER 60 2HB SER 60 -4.453 -1.566 -3.672 361 HB3 SER 60 1HB SER 60 -4.087 -2.505 -2.228 362 HG SER 60 HG SER 60 -3.462 -0.063 -2.616 363 H GLU 61 H GLU 61 -3.017 -4.729 -2.235 364 HA GLU 61 HA GLU 61 -0.549 -4.466 -0.953 365 HB2 GLU 61 2HB GLU 61 -0.969 -6.609 0.191 366 HB3 GLU 61 1HB GLU 61 -2.340 -5.528 0.262 367 HG2 GLU 61 2HG GLU 61 -3.415 -6.816 -1.519 368 HG3 GLU 61 1HG GLU 61 -2.041 -7.925 -1.521 369 H ALA 62 H ALA 62 -1.518 -6.224 -3.747 370 HA ALA 62 HA ALA 62 0.743 -7.918 -3.901 371 HB1 ALA 62 1HB ALA 62 -1.367 -8.319 -5.148 372 HB2 ALA 62 2HB ALA 62 0.084 -8.418 -6.146 373 HB3 ALA 62 3HB ALA 62 -0.933 -6.980 -6.211 374 H PHE 63 H PHE 63 0.207 -4.668 -5.299 375 HA PHE 63 HA PHE 63 2.780 -4.979 -6.523 376 HB2 PHE 63 2HB PHE 63 2.545 -2.524 -7.264 377 HB3 PHE 63 1HB PHE 63 1.472 -3.709 -7.979 378 HD1 PHE 63 1HD PHE 63 1.612 -1.260 -5.180 379 HD2 PHE 63 2HD PHE 63 -0.730 -3.268 -8.089 380 HE1 PHE 63 1HE PHE 63 -0.352 0.078 -4.536 381 HE2 PHE 63 2HE PHE 63 -2.681 -1.933 -7.449 382 HZ PHE 63 HZ PHE 63 -2.488 -0.310 -5.645 383 H ILE 64 H ILE 64 1.578 -3.488 -3.659 384 HA ILE 64 HA ILE 64 4.043 -2.217 -3.224 385 HB ILE 64 HB ILE 64 2.055 -1.421 -1.956 386 HG12 ILE 64 2HG1 ILE 64 4.298 -2.451 -0.262 387 HG13 ILE 64 1HG1 ILE 64 4.332 -0.986 -1.236 388 HG21 ILE 64 1HG2 ILE 64 1.237 -2.666 -0.019 389 HG22 ILE 64 2HG2 ILE 64 2.351 -3.987 -0.392 390 HG23 ILE 64 3HG2 ILE 64 1.046 -3.591 -1.514 391 HD11 ILE 64 3HD1 ILE 64 2.608 0.000 0.182 392 HD12 ILE 64 1HD1 ILE 64 4.007 -0.499 1.119 393 HD13 ILE 64 2HD1 ILE 64 2.545 -1.482 1.145 394 H GLU 65 H GLU 65 2.884 -5.466 -2.510 395 HA GLU 65 HA GLU 65 5.050 -6.282 -0.973 396 HB2 GLU 65 2HB GLU 65 3.074 -7.688 -1.239 397 HB3 GLU 65 1HB GLU 65 3.406 -7.872 -2.956 398 HG2 GLU 65 2HG GLU 65 5.389 -9.080 -2.513 399 HG3 GLU 65 1HG GLU 65 5.260 -8.776 -0.786 400 H GLY 66 H GLY 66 4.607 -6.226 -4.480 401 HA2 GLY 66 2HA GLY 66 7.127 -7.251 -5.193 402 HA3 GLY 66 1HA GLY 66 6.141 -6.196 -6.202 403 H SER 67 H SER 67 6.101 -4.019 -4.295 404 HA SER 67 HA SER 67 8.450 -2.682 -5.137 405 HB2 SER 67 2HB SER 67 6.395 -1.856 -3.073 406 HB3 SER 67 1HB SER 67 7.590 -0.801 -3.824 407 HG SER 67 HG SER 67 5.586 -2.221 -5.279 408 H ARG 68 H ARG 68 7.319 -3.992 -2.061 409 HA ARG 68 HA ARG 68 9.671 -3.148 -0.799 410 HB2 ARG 68 2HB ARG 68 8.981 -4.500 1.219 411 HB3 ARG 68 1HB ARG 68 7.786 -3.340 0.677 412 HG2 ARG 68 2HG ARG 68 6.548 -5.102 -0.413 413 HG3 ARG 68 1HG ARG 68 7.745 -6.291 0.102 414 HD2 ARG 68 2HD ARG 68 6.066 -4.587 1.955 415 HD3 ARG 68 1HD ARG 68 5.708 -6.255 1.535 416 HE ARG 68 HE ARG 68 8.218 -6.400 2.482 417 HH11 ARG 68 1HH1 ARG 68 5.252 -4.995 3.877 418 HH12 ARG 68 2HH1 ARG 68 5.743 -5.351 5.489 419 HH21 ARG 68 1HH2 ARG 68 8.748 -6.906 4.747 420 HH22 ARG 68 2HH2 ARG 68 7.670 -6.410 5.974 421 H GLY 69 H GLY 69 8.794 -6.106 -2.318 422 HA2 GLY 69 2HA GLY 69 11.073 -7.573 -1.596 423 HA3 GLY 69 1HA GLY 69 10.131 -7.789 -3.071 424 H TYR 70 H TYR 70 10.523 -4.972 -3.829 425 HA TYR 70 HA TYR 70 12.874 -5.355 -5.420 426 HB2 TYR 70 2HB TYR 70 11.027 -4.045 -6.355 427 HB3 TYR 70 1HB TYR 70 11.117 -2.901 -5.024 428 HD1 TYR 70 2HD TYR 70 13.002 -4.184 -7.965 429 HD2 TYR 70 1HD TYR 70 12.523 -0.993 -5.179 430 HE1 TYR 70 2HE TYR 70 14.576 -2.810 -9.261 431 HE2 TYR 70 1HE TYR 70 14.084 0.376 -6.467 432 HH TYR 70 HH TYR 70 15.974 -0.036 -7.995 433 H PHE 71 H PHE 71 12.010 -3.512 -2.615 434 HA PHE 71 HA PHE 71 14.452 -2.205 -2.365 435 HB2 PHE 71 2HB PHE 71 12.362 -2.787 -0.290 436 HB3 PHE 71 1HB PHE 71 13.793 -1.812 0.040 437 HD1 PHE 71 2HD PHE 71 14.101 -0.208 -2.348 438 HD2 PHE 71 1HD PHE 71 10.544 -1.369 -0.334 439 HE1 PHE 71 2HE PHE 71 12.949 1.730 -3.290 440 HE2 PHE 71 1HE PHE 71 9.387 0.569 -1.286 441 HZ PHE 71 HZ PHE 71 10.582 2.123 -2.759 442 H GLN 72 H GLN 72 13.361 -5.290 -1.143 443 HA GLN 72 HA GLN 72 15.602 -5.948 0.395 444 HB2 GLN 72 2HB GLN 72 13.988 -7.808 -1.366 445 HB3 GLN 72 1HB GLN 72 15.082 -8.299 -0.081 446 HG2 GLN 72 2HG GLN 72 12.538 -6.734 0.231 447 HG3 GLN 72 1HG GLN 72 12.800 -8.424 0.668 448 HE21 GLN 72 1HE2 GLN 72 11.965 -6.188 2.281 449 HE22 GLN 72 2HE2 GLN 72 13.108 -6.055 3.579 450 H ARG 73 H ARG 73 15.047 -6.276 -3.064 451 HA ARG 73 HA ARG 73 17.595 -7.367 -3.693 452 HB2 ARG 73 2HB ARG 73 15.579 -5.873 -5.360 453 HB3 ARG 73 1HB ARG 73 17.152 -6.268 -6.017 454 HG2 ARG 73 2HG ARG 73 15.469 -7.839 -6.723 455 HG3 ARG 73 1HG ARG 73 16.674 -8.662 -5.731 456 HD2 ARG 73 2HD ARG 73 15.094 -8.500 -3.834 457 HD3 ARG 73 1HD ARG 73 13.920 -7.757 -4.912 458 HE ARG 73 HE ARG 73 14.962 -10.486 -5.213 459 HH11 ARG 73 1HH1 ARG 73 12.318 -8.159 -5.610 460 HH12 ARG 73 2HH1 ARG 73 11.137 -9.306 -5.995 461 HH21 ARG 73 1HH2 ARG 73 13.335 -12.096 -5.752 462 HH22 ARG 73 2HH2 ARG 73 11.735 -11.639 -6.094 463 H GLU 74 H GLU 74 16.458 -4.062 -3.524 464 HA GLU 74 HA GLU 74 18.847 -2.867 -4.380 465 HB2 GLU 74 2HB GLU 74 16.683 -1.704 -2.630 466 HB3 GLU 74 1HB GLU 74 17.976 -0.774 -3.371 467 HG2 GLU 74 2HG GLU 74 15.913 -2.357 -4.881 468 HG3 GLU 74 1HG GLU 74 15.826 -0.629 -4.578 469 H LEU 75 H LEU 75 17.830 -3.913 -1.245 470 HA LEU 75 HA LEU 75 19.952 -2.752 0.230 471 HB2 LEU 75 2HB LEU 75 18.203 -5.141 0.804 472 HB3 LEU 75 1HB LEU 75 19.372 -4.507 1.940 473 HG LEU 75 HG LEU 75 17.029 -2.913 0.879 474 HD11 LEU 75 1HD1 LEU 75 16.016 -3.289 3.062 475 HD12 LEU 75 2HD1 LEU 75 17.347 -4.358 3.507 476 HD13 LEU 75 3HD1 LEU 75 16.245 -4.815 2.206 477 HD21 LEU 75 3HD2 LEU 75 17.548 -1.403 2.704 478 HD22 LEU 75 1HD2 LEU 75 18.957 -1.587 1.660 479 HD23 LEU 75 2HD2 LEU 75 18.890 -2.433 3.206 480 H LYS 76 H LYS 76 19.893 -5.298 -1.984 481 HA LYS 76 HA LYS 76 22.271 -6.557 -0.829 482 HB2 LYS 76 2HB LYS 76 20.371 -7.474 -2.981 483 HB3 LYS 76 1HB LYS 76 21.766 -8.388 -2.433 484 HG2 LYS 76 2HG LYS 76 20.808 -8.613 -0.226 485 HG3 LYS 76 1HG LYS 76 19.468 -7.556 -0.668 486 HD2 LYS 76 2HD LYS 76 18.729 -9.859 -0.732 487 HD3 LYS 76 1HD LYS 76 18.769 -9.207 -2.363 488 HE2 LYS 76 2HE LYS 76 19.677 -11.461 -2.337 489 HE3 LYS 76 1HE LYS 76 20.929 -10.301 -2.742 490 HZ1 LYS 76 3HZ LYS 76 21.699 -11.958 -1.146 491 HZ2 LYS 76 1HZ LYS 76 20.520 -11.468 -0.039 492 HZ3 LYS 76 2HZ LYS 76 21.766 -10.422 -0.511 493 H ARG 77 H ARG 77 21.437 -4.272 -3.020 494 HA ARG 77 HA ARG 77 22.881 -4.785 -5.377 495 HB2 ARG 77 2HB ARG 77 21.989 -2.247 -4.075 496 HB3 ARG 77 1HB ARG 77 22.812 -2.279 -5.625 497 HG2 ARG 77 2HG ARG 77 20.360 -3.886 -5.133 498 HG3 ARG 77 1HG ARG 77 20.287 -2.177 -5.608 499 HD2 ARG 77 2HD ARG 77 21.738 -4.332 -7.091 500 HD3 ARG 77 1HD ARG 77 20.119 -3.741 -7.501 501 HE ARG 77 HE ARG 77 22.666 -2.370 -7.846 502 HH11 ARG 77 1HH1 ARG 77 19.113 -1.944 -7.754 503 HH12 ARG 77 2HH1 ARG 77 19.102 -0.784 -8.981 504 HH21 ARG 77 1HH2 ARG 77 22.604 -0.697 -9.540 505 HH22 ARG 77 2HH2 ARG 77 21.103 -0.044 -9.988 506 H THR 78 H THR 78 23.867 -3.167 -2.430 507 HA THR 78 HA THR 78 25.816 -2.353 -1.638 508 HB THR 78 HB THR 78 27.280 -3.374 -4.119 509 HG1 THR 78 1HG THR 78 26.369 -5.204 -3.367 510 HG21 THR 78 3HG2 THR 78 28.196 -3.012 -1.252 511 HG22 THR 78 1HG2 THR 78 28.551 -1.904 -2.575 512 HG23 THR 78 2HG2 THR 78 29.204 -3.541 -2.597 513 H ASP 79 H ASP 79 24.323 -1.490 -4.414 514 HA ASP 79 HA ASP 79 25.834 0.825 -5.243 515 HB2 ASP 79 2HB ASP 79 22.983 -0.038 -5.790 516 HB3 ASP 79 1HB ASP 79 23.676 1.440 -6.432 517 H LEU 80 H LEU 80 23.802 0.094 -2.732 518 HA LEU 80 HA LEU 80 22.845 2.796 -2.185 519 HB2 LEU 80 2HB LEU 80 21.425 1.779 -0.640 520 HB3 LEU 80 1HB LEU 80 21.453 0.619 -1.950 521 HG LEU 80 HG LEU 80 23.075 0.412 0.566 522 HD11 LEU 80 1HD1 LEU 80 20.697 0.325 1.067 523 HD12 LEU 80 2HD1 LEU 80 21.416 -1.275 1.274 524 HD13 LEU 80 3HD1 LEU 80 20.475 -0.904 -0.174 525 HD21 LEU 80 3HD2 LEU 80 23.264 -1.994 -0.043 526 HD22 LEU 80 1HD2 LEU 80 24.029 -0.927 -1.218 527 HD23 LEU 80 2HD2 LEU 80 22.454 -1.639 -1.566 528 H ASP 81 H ASP 81 23.402 3.763 -0.620 529 HA ASP 81 HA ASP 81 25.625 2.849 1.055 530 HB2 ASP 81 2HB ASP 81 25.965 4.921 -0.529 531 HB3 ASP 81 1HB ASP 81 24.899 5.763 0.594 532 H LEU 82 H LEU 82 25.142 4.901 2.995 533 HA LEU 82 HA LEU 82 22.972 3.734 4.384 534 HB2 LEU 82 2HB LEU 82 24.361 6.360 4.915 535 HB3 LEU 82 1HB LEU 82 23.288 5.536 6.027 536 HG LEU 82 HG LEU 82 25.975 4.528 5.104 537 HD11 LEU 82 1HD1 LEU 82 25.057 5.644 7.745 538 HD12 LEU 82 2HD1 LEU 82 26.162 6.415 6.604 539 HD13 LEU 82 3HD1 LEU 82 26.636 4.929 7.427 540 HD21 LEU 82 3HD2 LEU 82 24.022 3.383 7.101 541 HD22 LEU 82 1HD2 LEU 82 25.658 2.792 6.803 542 HD23 LEU 82 2HD2 LEU 82 24.444 2.690 5.533 543 H LEU 83 H LEU 83 23.234 6.367 2.244 544 HA LEU 83 HA LEU 83 20.868 7.797 2.921 545 HB2 LEU 83 2HB LEU 83 22.377 7.545 0.359 546 HB3 LEU 83 1HB LEU 83 21.094 8.698 0.599 547 HG LEU 83 HG LEU 83 23.095 9.940 0.768 548 HD11 LEU 83 1HD1 LEU 83 23.157 10.792 3.033 549 HD12 LEU 83 2HD1 LEU 83 22.203 9.414 3.575 550 HD13 LEU 83 3HD1 LEU 83 21.512 10.574 2.440 551 HD21 LEU 83 3HD2 LEU 83 24.172 7.911 2.725 552 HD22 LEU 83 1HD2 LEU 83 24.982 9.393 2.218 553 HD23 LEU 83 2HD2 LEU 83 24.690 8.104 1.047 554 H GLU 84 H GLU 84 21.556 5.476 0.372 555 HA GLU 84 HA GLU 84 18.889 5.473 -0.522 556 HB2 GLU 84 2HB GLU 84 21.179 3.605 -0.982 557 HB3 GLU 84 1HB GLU 84 19.613 3.365 -1.760 558 HG2 GLU 84 2HG GLU 84 21.105 4.381 -3.320 559 HG3 GLU 84 1HG GLU 84 19.953 5.617 -2.818 560 H LYS 85 H LYS 85 20.750 3.426 1.625 561 HA LYS 85 HA LYS 85 18.887 1.409 2.064 562 HB2 LYS 85 2HB LYS 85 21.243 1.241 2.772 563 HB3 LYS 85 1HB LYS 85 20.979 2.516 3.942 564 HG2 LYS 85 2HG LYS 85 19.531 1.126 5.257 565 HG3 LYS 85 1HG LYS 85 19.538 -0.131 4.024 566 HD2 LYS 85 2HD LYS 85 21.993 0.788 5.534 567 HD3 LYS 85 1HD LYS 85 21.019 -0.612 5.986 568 HE2 LYS 85 2HE LYS 85 21.483 -1.609 3.772 569 HE3 LYS 85 1HE LYS 85 22.500 -0.231 3.373 570 HZ1 LYS 85 3HZ LYS 85 23.765 -2.128 4.098 571 HZ2 LYS 85 1HZ LYS 85 23.000 -2.145 5.591 572 HZ3 LYS 85 2HZ LYS 85 23.992 -0.847 5.156 573 H PHE 86 H PHE 86 19.272 4.602 3.507 574 HA PHE 86 HA PHE 86 17.524 4.132 5.563 575 HB2 PHE 86 2HB PHE 86 19.120 5.963 5.640 576 HB3 PHE 86 1HB PHE 86 18.341 6.744 4.275 577 HD1 PHE 86 2HD PHE 86 17.768 5.685 7.767 578 HD2 PHE 86 1HD PHE 86 16.687 8.345 4.641 579 HE1 PHE 86 2HE PHE 86 16.374 6.951 9.342 580 HE2 PHE 86 1HE PHE 86 15.296 9.625 6.208 581 HZ PHE 86 HZ PHE 86 15.135 8.929 8.562 582 H ASN 87 H ASN 87 17.069 5.009 2.321 583 HA ASN 87 HA ASN 87 14.404 6.007 2.471 584 HB2 ASN 87 2HB ASN 87 16.333 5.422 0.267 585 HB3 ASN 87 1HB ASN 87 14.624 5.554 -0.120 586 HD21 ASN 87 1HD2 ASN 87 17.450 7.292 1.060 587 HD22 ASN 87 2HD2 ASN 87 16.788 8.854 0.830 588 H PHE 88 H PHE 88 16.008 2.998 1.696 589 HA PHE 88 HA PHE 88 13.638 1.710 0.787 590 HB2 PHE 88 2HB PHE 88 16.057 0.303 1.914 591 HB3 PHE 88 1HB PHE 88 14.864 -0.348 0.799 592 HD1 PHE 88 1HD PHE 88 14.750 2.024 -1.095 593 HD2 PHE 88 2HD PHE 88 17.969 -0.059 0.727 594 HE1 PHE 88 1HE PHE 88 16.236 2.726 -2.909 595 HE2 PHE 88 2HE PHE 88 19.444 0.643 -1.083 596 HZ PHE 88 HZ PHE 88 18.608 2.043 -2.849 597 H GLU 89 H GLU 89 15.423 1.828 3.845 598 HA GLU 89 HA GLU 89 13.603 0.105 5.119 599 HB2 GLU 89 2HB GLU 89 15.457 2.160 6.308 600 HB3 GLU 89 1HB GLU 89 14.590 0.933 7.221 601 HG2 GLU 89 2HG GLU 89 15.805 -0.763 5.772 602 HG3 GLU 89 1HG GLU 89 16.826 0.580 5.263 603 H ALA 90 H ALA 90 13.751 3.513 4.416 604 HA ALA 90 HA ALA 90 11.743 4.235 6.307 605 HB1 ALA 90 1HB ALA 90 11.450 6.320 5.037 606 HB2 ALA 90 2HB ALA 90 12.384 5.641 3.704 607 HB3 ALA 90 3HB ALA 90 13.162 5.953 5.256 608 H ALA 91 H ALA 91 11.669 3.300 2.960 609 HA ALA 91 HA ALA 91 8.857 3.512 2.659 610 HB1 ALA 91 1HB ALA 91 9.218 2.407 0.520 611 HB2 ALA 91 2HB ALA 91 10.869 2.000 1.017 612 HB3 ALA 91 3HB ALA 91 10.412 3.680 0.792 613 H LEU 92 H LEU 92 11.015 0.846 3.458 614 HA LEU 92 HA LEU 92 9.119 -1.212 3.343 615 HB2 LEU 92 2HB LEU 92 11.511 -0.941 5.170 616 HB3 LEU 92 1HB LEU 92 10.539 -2.388 5.062 617 HG LEU 92 HG LEU 92 12.170 -1.217 2.803 618 HD11 LEU 92 1HD1 LEU 92 12.668 -3.621 4.551 619 HD12 LEU 92 2HD1 LEU 92 13.585 -2.113 4.569 620 HD13 LEU 92 3HD1 LEU 92 13.624 -3.154 3.145 621 HD21 LEU 92 3HD2 LEU 92 10.236 -2.424 1.972 622 HD22 LEU 92 1HD2 LEU 92 10.615 -3.794 3.020 623 HD23 LEU 92 2HD2 LEU 92 11.698 -3.370 1.701 624 H ALA 93 H ALA 93 9.903 0.996 5.956 625 HA ALA 93 HA ALA 93 8.147 -0.231 7.803 626 HB1 ALA 93 1HB ALA 93 8.521 1.769 9.171 627 HB2 ALA 93 2HB ALA 93 9.284 2.566 7.796 628 HB3 ALA 93 3HB ALA 93 10.043 1.152 8.526 629 H THR 94 H THR 94 7.878 2.366 5.486 630 HA THR 94 HA THR 94 5.427 3.323 6.381 631 HB THR 94 HB THR 94 6.685 3.530 3.631 632 HG1 THR 94 1HG THR 94 8.001 4.493 5.153 633 HG21 THR 94 3HG2 THR 94 5.252 5.523 3.331 634 HG22 THR 94 1HG2 THR 94 4.488 5.201 4.888 635 HG23 THR 94 2HG2 THR 94 4.282 4.067 3.553 636 H GLY 95 H GLY 95 6.449 1.017 3.954 637 HA2 GLY 95 2HA GLY 95 3.930 0.474 2.873 638 HA3 GLY 95 1HA GLY 95 5.402 -0.481 2.682 639 H ASP 96 H ASP 96 5.842 -1.072 5.400 640 HA ASP 96 HA ASP 96 4.230 -3.371 5.556 641 HB2 ASP 96 2HB ASP 96 6.581 -2.995 6.552 642 HB3 ASP 96 1HB ASP 96 5.735 -2.253 7.908 643 H LEU 97 H LEU 97 4.172 -0.328 7.332 644 HA LEU 97 HA LEU 97 2.123 -1.086 9.118 645 HB2 LEU 97 2HB LEU 97 2.026 1.142 9.848 646 HB3 LEU 97 1HB LEU 97 3.686 0.916 9.348 647 HG LEU 97 HG LEU 97 2.574 1.937 7.087 648 HD11 LEU 97 1HD1 LEU 97 1.229 3.873 7.701 649 HD12 LEU 97 2HD1 LEU 97 1.174 3.304 9.367 650 HD13 LEU 97 3HD1 LEU 97 0.427 2.350 8.085 651 HD21 LEU 97 3HD2 LEU 97 4.606 2.560 8.087 652 HD22 LEU 97 1HD2 LEU 97 3.773 3.468 9.363 653 HD23 LEU 97 2HD2 LEU 97 3.640 3.978 7.654 654 H LEU 98 H LEU 98 1.978 0.614 5.980 655 HA LEU 98 HA LEU 98 -0.837 0.850 6.145 656 HB2 LEU 98 2HB LEU 98 -0.812 1.800 3.985 657 HB3 LEU 98 1HB LEU 98 0.649 2.353 4.766 658 HG LEU 98 HG LEU 98 1.635 0.268 3.544 659 HD11 LEU 98 1HD1 LEU 98 -0.667 1.046 1.746 660 HD12 LEU 98 2HD1 LEU 98 -0.419 -0.507 2.542 661 HD13 LEU 98 3HD1 LEU 98 0.680 0.011 1.265 662 HD21 LEU 98 3HD2 LEU 98 2.333 1.777 1.689 663 HD22 LEU 98 1HD2 LEU 98 2.470 2.532 3.275 664 HD23 LEU 98 2HD2 LEU 98 1.115 2.936 2.221 665 H LEU 99 H LEU 99 1.317 -1.644 5.092 666 HA LEU 99 HA LEU 99 -0.532 -2.913 3.497 667 HB2 LEU 99 2HB LEU 99 1.935 -3.321 3.396 668 HB3 LEU 99 1HB LEU 99 1.845 -4.153 4.926 669 HG LEU 99 HG LEU 99 0.467 -5.179 2.427 670 HD11 LEU 99 1HD1 LEU 99 3.209 -5.848 3.484 671 HD12 LEU 99 2HD1 LEU 99 2.851 -4.972 1.994 672 HD13 LEU 99 3HD1 LEU 99 2.390 -6.664 2.154 673 HD21 LEU 99 3HD2 LEU 99 1.336 -6.570 4.973 674 HD22 LEU 99 1HD2 LEU 99 0.546 -7.330 3.593 675 HD23 LEU 99 2HD2 LEU 99 -0.322 -6.139 4.562 676 H LYS 100 H LYS 100 0.401 -3.057 6.822 677 HA LYS 100 HA LYS 100 -1.311 -5.076 7.723 678 HB2 LYS 100 2HB LYS 100 -0.135 -2.676 9.143 679 HB3 LYS 100 1HB LYS 100 -0.997 -3.969 9.959 680 HG2 LYS 100 2HG LYS 100 0.696 -5.537 9.479 681 HG3 LYS 100 1HG LYS 100 1.444 -4.477 8.289 682 HD2 LYS 100 2HD LYS 100 2.761 -4.518 10.345 683 HD3 LYS 100 1HD LYS 100 2.085 -2.924 10.070 684 HE2 LYS 100 2HE LYS 100 0.333 -3.375 11.710 685 HE3 LYS 100 1HE LYS 100 0.980 -4.997 11.960 686 HZ1 LYS 100 3HZ LYS 100 1.687 -3.379 13.649 687 HZ2 LYS 100 1HZ LYS 100 2.475 -2.484 12.477 688 HZ3 LYS 100 2HZ LYS 100 3.007 -4.040 12.838 689 H ASP 101 H ASP 101 -1.631 -1.688 7.015 690 HA ASP 101 HA ASP 101 -4.106 -1.386 8.354 691 HB2 ASP 101 2HB ASP 101 -2.535 0.511 7.880 692 HB3 ASP 101 1HB ASP 101 -2.965 0.372 6.179 693 H LEU 102 H LEU 102 -3.092 -2.102 5.079 694 HA LEU 102 HA LEU 102 -5.532 -2.040 3.740 695 HB2 LEU 102 2HB LEU 102 -3.176 -3.869 3.316 696 HB3 LEU 102 1HB LEU 102 -4.534 -3.754 2.215 697 HG LEU 102 HG LEU 102 -2.615 -1.509 2.859 698 HD11 LEU 102 1HD1 LEU 102 -1.770 -1.871 0.598 699 HD12 LEU 102 2HD1 LEU 102 -2.859 -3.243 0.404 700 HD13 LEU 102 3HD1 LEU 102 -1.558 -3.313 1.590 701 HD21 LEU 102 3HD2 LEU 102 -3.681 -0.378 0.967 702 HD22 LEU 102 1HD2 LEU 102 -4.839 -0.697 2.257 703 HD23 LEU 102 2HD2 LEU 102 -4.826 -1.709 0.815 704 H LYS 103 H LYS 103 -4.023 -4.771 5.469 705 HA LYS 103 HA LYS 103 -6.332 -6.317 4.968 706 HB2 LYS 103 2HB LYS 103 -5.390 -8.006 6.577 707 HB3 LYS 103 1HB LYS 103 -4.395 -7.622 5.195 708 HG2 LYS 103 2HG LYS 103 -3.047 -6.140 6.666 709 HG3 LYS 103 1HG LYS 103 -4.001 -6.722 8.036 710 HD2 LYS 103 2HD LYS 103 -3.325 -9.002 7.584 711 HD3 LYS 103 1HD LYS 103 -2.451 -8.487 6.145 712 HE2 LYS 103 2HE LYS 103 -0.896 -8.860 7.917 713 HE3 LYS 103 1HE LYS 103 -0.966 -7.137 7.584 714 HZ1 LYS 103 3HZ LYS 103 -2.306 -8.545 9.829 715 HZ2 LYS 103 1HZ LYS 103 -2.417 -6.891 9.577 716 HZ3 LYS 103 2HZ LYS 103 -0.943 -7.600 9.952 717 H ALA 104 H ALA 104 -5.445 -4.266 7.610 718 HA ALA 104 HA ALA 104 -7.468 -5.228 9.344 719 HB1 ALA 104 1HB ALA 104 -6.989 -3.213 10.649 720 HB2 ALA 104 2HB ALA 104 -5.997 -2.606 9.319 721 HB3 ALA 104 3HB ALA 104 -5.511 -4.059 10.190 722 H LEU 105 H LEU 105 -7.268 -2.686 6.909 723 HA LEU 105 HA LEU 105 -9.717 -1.553 7.644 724 HB2 LEU 105 2HB LEU 105 -9.450 0.001 5.954 725 HB3 LEU 105 1HB LEU 105 -7.796 -0.466 6.252 726 HG LEU 105 HG LEU 105 -8.385 -2.168 4.273 727 HD11 LEU 105 1HD1 LEU 105 -10.646 -1.428 3.980 728 HD12 LEU 105 2HD1 LEU 105 -9.690 -1.069 2.546 729 HD13 LEU 105 3HD1 LEU 105 -10.103 0.223 3.676 730 HD21 LEU 105 3HD2 LEU 105 -6.539 -0.521 4.403 731 HD22 LEU 105 1HD2 LEU 105 -7.645 0.703 3.810 732 HD23 LEU 105 2HD2 LEU 105 -7.222 -0.675 2.782 733 H GLN 106 H GLN 106 -8.694 -3.984 5.319 734 HA GLN 106 HA GLN 106 -11.209 -4.083 4.064 735 HB2 GLN 106 2HB GLN 106 -10.556 -6.151 2.995 736 HB3 GLN 106 1HB GLN 106 -9.182 -5.061 3.000 737 HG2 GLN 106 2HG GLN 106 -8.266 -6.263 4.910 738 HG3 GLN 106 1HG GLN 106 -9.638 -7.365 4.842 739 HE21 GLN 106 1HE2 GLN 106 -6.683 -6.402 3.285 740 HE22 GLN 106 2HE2 GLN 106 -6.611 -7.721 2.185 741 H LYS 107 H LYS 107 -9.969 -5.629 6.910 742 HA LYS 107 HA LYS 107 -12.252 -7.257 7.275 743 HB2 LYS 107 2HB LYS 107 -10.299 -6.137 9.292 744 HB3 LYS 107 1HB LYS 107 -11.476 -7.406 9.633 745 HG2 LYS 107 2HG LYS 107 -10.439 -8.903 8.118 746 HG3 LYS 107 1HG LYS 107 -9.415 -7.627 7.467 747 HD2 LYS 107 2HD LYS 107 -8.327 -7.455 9.681 748 HD3 LYS 107 1HD LYS 107 -9.307 -8.824 10.220 749 HE2 LYS 107 2HE LYS 107 -7.500 -8.910 7.824 750 HE3 LYS 107 1HE LYS 107 -6.978 -9.406 9.440 751 HZ1 LYS 107 3HZ LYS 107 -9.155 -10.654 7.806 752 HZ2 LYS 107 1HZ LYS 107 -8.756 -11.098 9.393 753 HZ3 LYS 107 2HZ LYS 107 -7.644 -11.296 8.173 754 H ARG 108 H ARG 108 -11.558 -3.901 8.081 755 HA ARG 108 HA ARG 108 -13.916 -3.449 9.602 756 HB2 ARG 108 2HB ARG 108 -11.990 -1.605 8.172 757 HB3 ARG 108 1HB ARG 108 -13.446 -0.988 8.931 758 HG2 ARG 108 2HG ARG 108 -12.682 -1.821 11.099 759 HG3 ARG 108 1HG ARG 108 -11.231 -2.473 10.336 760 HD2 ARG 108 2HD ARG 108 -11.880 0.444 10.053 761 HD3 ARG 108 1HD ARG 108 -11.156 -0.143 11.543 762 HE ARG 108 HE ARG 108 -9.317 -0.990 10.166 763 HH11 ARG 108 1HH1 ARG 108 -11.263 1.632 8.748 764 HH12 ARG 108 2HH1 ARG 108 -9.982 2.340 7.905 765 HH21 ARG 108 1HH2 ARG 108 -7.494 0.063 9.014 766 HH22 ARG 108 2HH2 ARG 108 -7.802 1.438 8.072 767 H VAL 109 H VAL 109 -13.054 -2.972 6.210 768 HA VAL 109 HA VAL 109 -15.494 -2.008 5.483 769 HB VAL 109 HB VAL 109 -13.226 -3.183 3.854 770 HG11 VAL 109 1HG1 VAL 109 -15.161 -3.312 2.517 771 HG12 VAL 109 2HG1 VAL 109 -14.224 -1.912 1.968 772 HG13 VAL 109 3HG1 VAL 109 -15.671 -1.684 2.960 773 HG21 VAL 109 3HG2 VAL 109 -12.713 -0.843 3.405 774 HG22 VAL 109 1HG2 VAL 109 -12.654 -1.217 5.128 775 HG23 VAL 109 2HG2 VAL 109 -14.039 -0.357 4.461 776 H GLN 110 H GLN 110 -14.202 -5.311 5.557 777 HA GLN 110 HA GLN 110 -16.323 -6.702 4.361 778 HB2 GLN 110 2HB GLN 110 -14.370 -7.439 6.532 779 HB3 GLN 110 1HB GLN 110 -15.671 -8.525 6.106 780 HG2 GLN 110 2HG GLN 110 -13.538 -7.557 4.213 781 HG3 GLN 110 1HG GLN 110 -13.509 -9.095 5.066 782 HE21 GLN 110 1HE2 GLN 110 -13.442 -8.720 2.258 783 HE22 GLN 110 2HE2 GLN 110 -14.832 -9.487 1.603 784 H ASP 111 H ASP 111 -15.765 -5.459 7.593 785 HA ASP 111 HA ASP 111 -17.993 -6.703 8.698 786 HB2 ASP 111 2HB ASP 111 -16.163 -6.099 10.151 787 HB3 ASP 111 1HB ASP 111 -16.377 -4.395 9.774 788 H SER 112 H SER 112 -17.479 -3.688 7.142 789 HA SER 112 HA SER 112 -19.586 -2.119 8.042 790 HB2 SER 112 2HB SER 112 -18.502 -2.211 5.221 791 HB3 SER 112 1HB SER 112 -19.322 -0.854 5.992 792 HG SER 112 HG SER 112 -17.172 -1.753 7.439 793 H GLU 113 H GLU 113 -19.566 -4.631 5.530 794 HA GLU 113 HA GLU 113 -22.451 -4.825 5.659 795 HB2 GLU 113 2HB GLU 113 -20.996 -4.715 3.018 796 HB3 GLU 113 1HB GLU 113 -22.716 -4.858 3.276 797 HG2 GLU 113 2HG GLU 113 -22.840 -2.570 3.997 798 HG3 GLU 113 1HG GLU 113 -21.079 -2.421 3.908 Start of MODEL 14 1 H1 ASN 18 1HT ASN 18 13.023 12.899 4.304 2 H2 ASN 18 2HT ASN 18 11.986 13.229 5.597 3 H3 ASN 18 3HT ASN 18 11.631 13.815 4.070 4 HA ASN 18 HA ASN 18 11.812 10.973 4.779 5 HB2 ASN 18 2HB ASN 18 9.367 12.711 4.396 6 HB3 ASN 18 1HB ASN 18 9.326 10.959 4.499 7 HD21 ASN 18 1HD2 ASN 18 8.064 10.953 6.344 8 HD22 ASN 18 2HD2 ASN 18 8.666 11.447 7.874 9 H THR 19 H THR 19 12.985 10.441 2.949 10 HA THR 19 HA THR 19 12.142 11.313 0.355 11 HB THR 19 HB THR 19 13.921 9.574 -0.349 12 HG1 THR 19 1HG THR 19 15.169 8.756 1.228 13 HG21 THR 19 3HG2 THR 19 14.738 11.893 1.404 14 HG22 THR 19 1HG2 THR 19 14.313 12.014 -0.306 15 HG23 THR 19 2HG2 THR 19 15.743 11.108 0.193 16 H ALA 20 H ALA 20 11.850 8.409 2.274 17 HA ALA 20 HA ALA 20 11.036 6.700 0.171 18 HB1 ALA 20 1HB ALA 20 10.488 5.130 1.898 19 HB2 ALA 20 2HB ALA 20 10.603 6.398 3.117 20 HB3 ALA 20 3HB ALA 20 12.041 5.896 2.224 21 H THR 21 H THR 21 9.243 8.470 2.665 22 HA THR 21 HA THR 21 6.721 7.464 1.955 23 HB THR 21 HB THR 21 5.868 9.455 3.214 24 HG1 THR 21 1HG THR 21 7.163 11.077 3.404 25 HG21 THR 21 3HG2 THR 21 8.148 7.964 4.522 26 HG22 THR 21 1HG2 THR 21 6.480 7.403 4.416 27 HG23 THR 21 2HG2 THR 21 6.871 8.838 5.365 28 H GLN 22 H GLN 22 8.692 10.045 0.788 29 HA GLN 22 HA GLN 22 6.806 11.457 -0.733 30 HB2 GLN 22 2HB GLN 22 8.992 12.388 -0.147 31 HB3 GLN 22 1HB GLN 22 9.800 11.159 -1.089 32 HG2 GLN 22 2HG GLN 22 7.919 12.880 -2.577 33 HG3 GLN 22 1HG GLN 22 9.351 13.674 -1.939 34 HE21 GLN 22 1HE2 GLN 22 10.175 14.056 -3.981 35 HE22 GLN 22 2HE2 GLN 22 10.869 12.824 -4.948 36 H ARG 23 H ARG 23 8.721 8.623 -1.436 37 HA ARG 23 HA ARG 23 7.863 8.496 -4.182 38 HB2 ARG 23 2HB ARG 23 10.068 7.666 -3.293 39 HB3 ARG 23 1HB ARG 23 9.185 6.349 -2.538 40 HG2 ARG 23 2HG ARG 23 8.467 5.549 -4.707 41 HG3 ARG 23 1HG ARG 23 9.266 6.913 -5.496 42 HD2 ARG 23 2HD ARG 23 10.573 4.715 -3.909 43 HD3 ARG 23 1HD ARG 23 10.694 4.978 -5.655 44 HE ARG 23 HE ARG 23 11.532 7.297 -4.396 45 HH11 ARG 23 1HH1 ARG 23 12.677 4.003 -4.887 46 HH12 ARG 23 2HH1 ARG 23 14.295 4.367 -4.459 47 HH21 ARG 23 1HH2 ARG 23 13.725 7.781 -3.829 48 HH22 ARG 23 2HH2 ARG 23 14.902 6.553 -3.857 49 H PHE 24 H PHE 24 6.765 7.336 -1.136 50 HA PHE 24 HA PHE 24 4.871 5.542 -2.427 51 HB2 PHE 24 2HB PHE 24 5.819 5.760 0.419 52 HB3 PHE 24 1HB PHE 24 4.304 4.947 0.054 53 HD1 PHE 24 1HD PHE 24 6.536 4.475 -2.655 54 HD2 PHE 24 2HD PHE 24 5.759 3.042 1.326 55 HE1 PHE 24 1HE PHE 24 7.720 2.392 -3.149 56 HE2 PHE 24 2HE PHE 24 6.934 1.000 0.791 57 HZ PHE 24 HZ PHE 24 7.917 0.651 -1.423 58 H HIS 25 H HIS 25 4.760 8.618 -2.172 59 HA HIS 25 HA HIS 25 2.438 9.192 -0.653 60 HB2 HIS 25 2HB HIS 25 3.681 10.715 -2.946 61 HB3 HIS 25 1HB HIS 25 2.157 11.219 -2.241 62 HD1 HIS 25 1HD HIS 25 4.963 12.782 -2.234 63 HD2 HIS 25 2HD HIS 25 3.211 10.722 0.906 64 HE1 HIS 25 1HE HIS 25 5.882 13.835 -0.167 65 HE2 HIS 25 2HE HIS 25 4.670 12.720 1.723 66 H GLU 26 H GLU 26 2.824 8.216 -3.990 67 HA GLU 26 HA GLU 26 0.145 8.537 -4.768 68 HB2 GLU 26 2HB GLU 26 1.920 8.172 -6.423 69 HB3 GLU 26 1HB GLU 26 2.172 6.545 -5.817 70 HG2 GLU 26 2HG GLU 26 -0.051 5.891 -6.530 71 HG3 GLU 26 1HG GLU 26 -0.388 7.535 -7.055 72 H ILE 27 H ILE 27 1.753 5.988 -3.059 73 HA ILE 27 HA ILE 27 -0.459 4.197 -3.364 74 HB ILE 27 HB ILE 27 1.940 3.932 -1.494 75 HG12 ILE 27 2HG1 ILE 27 2.563 2.038 -3.116 76 HG13 ILE 27 1HG1 ILE 27 1.366 2.707 -4.209 77 HG21 ILE 27 1HG2 ILE 27 1.236 1.552 -1.309 78 HG22 ILE 27 2HG2 ILE 27 -0.248 1.972 -2.171 79 HG23 ILE 27 3HG2 ILE 27 0.096 2.695 -0.605 80 HD11 ILE 27 3HD1 ILE 27 2.666 4.803 -4.288 81 HD12 ILE 27 1HD1 ILE 27 3.585 3.399 -4.841 82 HD13 ILE 27 2HD1 ILE 27 3.865 4.048 -3.231 83 H GLU 28 H GLU 28 0.683 6.448 -0.952 84 HA GLU 28 HA GLU 28 -1.278 5.809 0.979 85 HB2 GLU 28 2HB GLU 28 0.724 7.127 1.569 86 HB3 GLU 28 1HB GLU 28 0.178 8.435 0.535 87 HG2 GLU 28 2HG GLU 28 -1.757 8.793 1.964 88 HG3 GLU 28 1HG GLU 28 -1.280 7.438 2.978 89 H LYS 29 H LYS 29 -1.247 7.930 -1.810 90 HA LYS 29 HA LYS 29 -3.764 9.131 -1.432 91 HB2 LYS 29 2HB LYS 29 -2.375 8.424 -4.025 92 HB3 LYS 29 1HB LYS 29 -3.789 9.462 -3.892 93 HG2 LYS 29 2HG LYS 29 -2.547 11.070 -2.611 94 HG3 LYS 29 1HG LYS 29 -1.139 10.009 -2.603 95 HD2 LYS 29 2HD LYS 29 -1.022 10.172 -5.063 96 HD3 LYS 29 1HD LYS 29 -2.405 11.264 -5.032 97 HE2 LYS 29 2HE LYS 29 -1.171 12.858 -3.712 98 HE3 LYS 29 1HE LYS 29 0.202 11.756 -3.617 99 HZ1 LYS 29 3HZ LYS 29 0.496 11.951 -5.974 100 HZ2 LYS 29 1HZ LYS 29 0.502 13.483 -5.272 101 HZ3 LYS 29 2HZ LYS 29 -0.864 12.944 -6.112 102 H PHE 30 H PHE 30 -2.837 6.106 -2.994 103 HA PHE 30 HA PHE 30 -5.357 5.223 -3.798 104 HB2 PHE 30 2HB PHE 30 -2.840 3.870 -3.087 105 HB3 PHE 30 1HB PHE 30 -4.304 2.897 -3.075 106 HD1 PHE 30 1HD PHE 30 -2.375 5.227 -5.255 107 HD2 PHE 30 2HD PHE 30 -5.101 1.968 -5.036 108 HE1 PHE 30 1HE PHE 30 -2.245 4.960 -7.702 109 HE2 PHE 30 2HE PHE 30 -4.980 1.693 -7.478 110 HZ PHE 30 HZ PHE 30 -3.551 3.188 -8.815 111 H LEU 31 H LEU 31 -3.724 4.885 -0.739 112 HA LEU 31 HA LEU 31 -5.558 3.302 0.648 113 HB2 LEU 31 2HB LEU 31 -3.303 3.839 1.431 114 HB3 LEU 31 1HB LEU 31 -3.751 5.516 1.617 115 HG LEU 31 HG LEU 31 -5.293 4.878 3.442 116 HD11 LEU 31 1HD1 LEU 31 -4.090 2.146 3.059 117 HD12 LEU 31 2HD1 LEU 31 -5.771 2.598 2.761 118 HD13 LEU 31 3HD1 LEU 31 -5.121 2.641 4.399 119 HD21 LEU 31 3HD2 LEU 31 -2.433 3.975 3.748 120 HD22 LEU 31 1HD2 LEU 31 -3.534 4.360 5.073 121 HD23 LEU 31 2HD2 LEU 31 -3.040 5.621 3.945 122 H LEU 32 H LEU 32 -5.344 6.817 0.346 123 HA LEU 32 HA LEU 32 -7.609 7.445 1.903 124 HB2 LEU 32 2HB LEU 32 -6.654 9.063 -0.454 125 HB3 LEU 32 1HB LEU 32 -7.507 9.647 0.958 126 HG LEU 32 HG LEU 32 -4.742 8.581 0.857 127 HD11 LEU 32 1HD1 LEU 32 -4.916 10.780 -0.199 128 HD12 LEU 32 2HD1 LEU 32 -4.062 10.938 1.337 129 HD13 LEU 32 3HD1 LEU 32 -5.752 11.421 1.217 130 HD21 LEU 32 3HD2 LEU 32 -5.703 8.114 3.026 131 HD22 LEU 32 1HD2 LEU 32 -6.251 9.784 3.187 132 HD23 LEU 32 2HD2 LEU 32 -4.528 9.415 3.198 133 H HIS 33 H HIS 33 -7.034 6.977 -1.436 134 HA HIS 33 HA HIS 33 -9.545 7.475 -2.557 135 HB2 HIS 33 2HB HIS 33 -7.894 7.283 -4.184 136 HB3 HIS 33 1HB HIS 33 -7.155 5.902 -3.397 137 HD1 HIS 33 1HD HIS 33 -10.145 6.715 -5.619 138 HD2 HIS 33 2HD HIS 33 -7.758 3.496 -4.530 139 HE1 HIS 33 1HE HIS 33 -10.894 4.807 -7.037 140 HE2 HIS 33 2HE HIS 33 -9.637 2.811 -6.096 141 H ILE 34 H ILE 34 -8.302 4.379 -1.263 142 HA ILE 34 HA ILE 34 -10.547 2.890 -1.966 143 HB ILE 34 HB ILE 34 -8.452 2.497 0.196 144 HG12 ILE 34 2HG1 ILE 34 -8.754 1.093 -2.455 145 HG13 ILE 34 1HG1 ILE 34 -7.789 2.546 -2.239 146 HG21 ILE 34 1HG2 ILE 34 -10.478 1.236 0.789 147 HG22 ILE 34 2HG2 ILE 34 -9.163 0.161 0.315 148 HG23 ILE 34 3HG2 ILE 34 -10.481 0.491 -0.811 149 HD11 ILE 34 3HD1 ILE 34 -6.338 1.404 -0.714 150 HD12 ILE 34 1HD1 ILE 34 -6.466 0.483 -2.205 151 HD13 ILE 34 2HD1 ILE 34 -7.348 -0.032 -0.759 152 H THR 35 H THR 35 -9.714 4.613 1.037 153 HA THR 35 HA THR 35 -12.022 3.913 2.465 154 HB THR 35 HB THR 35 -10.536 6.508 2.689 155 HG1 THR 35 1HG THR 35 -8.814 5.203 2.955 156 HG21 THR 35 3HG2 THR 35 -11.827 4.707 4.751 157 HG22 THR 35 1HG2 THR 35 -12.464 6.246 4.170 158 HG23 THR 35 2HG2 THR 35 -10.970 6.204 5.112 159 H HIS 36 H HIS 36 -11.363 6.703 0.345 160 HA HIS 36 HA HIS 36 -13.844 8.050 0.605 161 HB2 HIS 36 2HB HIS 36 -11.775 8.024 -1.586 162 HB3 HIS 36 1HB HIS 36 -13.298 8.850 -1.829 163 HD1 HIS 36 1HD HIS 36 -13.359 11.214 -1.109 164 HD2 HIS 36 2HD HIS 36 -10.247 9.147 0.690 165 HE1 HIS 36 1HE HIS 36 -12.008 12.946 0.100 166 HE2 HIS 36 2HE HIS 36 -10.432 11.596 1.473 167 H GLU 37 H GLU 37 -12.740 5.547 -1.618 168 HA GLU 37 HA GLU 37 -14.989 5.383 -3.208 169 HB2 GLU 37 2HB GLU 37 -12.608 4.444 -3.503 170 HB3 GLU 37 1HB GLU 37 -13.170 3.088 -2.540 171 HG2 GLU 37 2HG GLU 37 -13.331 2.520 -4.836 172 HG3 GLU 37 1HG GLU 37 -14.971 2.746 -4.200 173 H VAL 38 H VAL 38 -14.234 4.042 -0.039 174 HA VAL 38 HA VAL 38 -16.211 2.040 0.067 175 HB VAL 38 HB VAL 38 -14.953 3.653 2.331 176 HG11 VAL 38 1HG1 VAL 38 -16.593 1.120 2.442 177 HG12 VAL 38 2HG1 VAL 38 -17.116 2.703 3.017 178 HG13 VAL 38 3HG1 VAL 38 -15.786 1.861 3.824 179 HG21 VAL 38 3HG2 VAL 38 -14.382 0.844 1.404 180 HG22 VAL 38 1HG2 VAL 38 -13.646 1.648 2.785 181 HG23 VAL 38 2HG2 VAL 38 -13.340 2.251 1.153 182 H ASP 39 H ASP 39 -16.107 5.406 1.030 183 HA ASP 39 HA ASP 39 -18.723 5.470 1.978 184 HB2 ASP 39 2HB ASP 39 -17.171 7.312 2.478 185 HB3 ASP 39 1HB ASP 39 -17.177 7.790 0.783 186 H ASP 40 H ASP 40 -17.325 6.126 -1.173 187 HA ASP 40 HA ASP 40 -19.628 7.065 -2.423 188 HB2 ASP 40 2HB ASP 40 -17.359 7.435 -3.305 189 HB3 ASP 40 1HB ASP 40 -17.249 5.728 -3.699 190 H LEU 41 H LEU 41 -18.265 3.817 -2.208 191 HA LEU 41 HA LEU 41 -20.173 2.827 -3.986 192 HB2 LEU 41 2HB LEU 41 -19.470 0.563 -3.256 193 HB3 LEU 41 1HB LEU 41 -18.178 1.583 -3.830 194 HG LEU 41 HG LEU 41 -17.713 2.009 -1.333 195 HD11 LEU 41 1HD1 LEU 41 -18.302 0.220 0.161 196 HD12 LEU 41 2HD1 LEU 41 -19.230 -0.565 -1.117 197 HD13 LEU 41 3HD1 LEU 41 -19.752 0.996 -0.481 198 HD21 LEU 41 3HD2 LEU 41 -17.181 -0.624 -2.656 199 HD22 LEU 41 1HD2 LEU 41 -16.328 -0.005 -1.240 200 HD23 LEU 41 2HD2 LEU 41 -16.225 0.850 -2.774 201 H GLU 42 H GLU 42 -20.194 3.241 -0.530 202 HA GLU 42 HA GLU 42 -22.490 1.704 -0.290 203 HB2 GLU 42 2HB GLU 42 -21.155 3.565 1.605 204 HB3 GLU 42 1HB GLU 42 -22.771 2.968 1.967 205 HG2 GLU 42 2HG GLU 42 -21.939 0.665 1.724 206 HG3 GLU 42 1HG GLU 42 -20.319 1.307 1.468 207 H LYS 43 H LYS 43 -22.062 4.977 -1.235 208 HA LYS 43 HA LYS 43 -24.934 5.114 -1.067 209 HB2 LYS 43 2HB LYS 43 -24.744 7.621 -1.622 210 HB3 LYS 43 1HB LYS 43 -24.359 7.079 -0.014 211 HG2 LYS 43 2HG LYS 43 -22.831 8.801 -0.651 212 HG3 LYS 43 1HG LYS 43 -21.944 7.291 -0.580 213 HD2 LYS 43 2HD LYS 43 -21.670 7.206 -2.883 214 HD3 LYS 43 1HD LYS 43 -23.064 8.240 -3.178 215 HE2 LYS 43 2HE LYS 43 -20.914 9.397 -3.624 216 HE3 LYS 43 1HE LYS 43 -21.878 10.191 -2.394 217 HZ1 LYS 43 3HZ LYS 43 -19.670 10.209 -1.636 218 HZ2 LYS 43 1HZ LYS 43 -19.366 8.616 -1.995 219 HZ3 LYS 43 2HZ LYS 43 -20.334 9.018 -0.704 220 H THR 44 H THR 44 -22.679 4.452 -3.176 221 HA THR 44 HA THR 44 -24.110 5.113 -5.571 222 HB THR 44 HB THR 44 -21.529 3.843 -4.833 223 HG1 THR 44 1HG THR 44 -20.631 5.585 -5.672 224 HG21 THR 44 3HG2 THR 44 -22.542 3.992 -7.656 225 HG22 THR 44 1HG2 THR 44 -22.245 2.529 -6.680 226 HG23 THR 44 2HG2 THR 44 -20.891 3.590 -7.103 227 H GLY 45 H GLY 45 -23.649 2.263 -3.519 228 HA2 GLY 45 2HA GLY 45 -25.958 0.957 -4.186 229 HA3 GLY 45 1HA GLY 45 -24.819 0.428 -5.410 230 H ASN 46 H ASN 46 -22.683 -0.284 -4.449 231 HA ASN 46 HA ASN 46 -21.362 -1.566 -3.272 232 HB2 ASN 46 2HB ASN 46 -21.300 -1.659 -0.849 233 HB3 ASN 46 1HB ASN 46 -21.660 -0.029 -1.350 234 HD21 ASN 46 1HD2 ASN 46 -22.824 -2.875 0.270 235 HD22 ASN 46 2HD2 ASN 46 -24.156 -2.132 1.064 236 H LYS 47 H LYS 47 -23.416 -2.686 -4.670 237 HA LYS 47 HA LYS 47 -24.449 -4.900 -3.247 238 HB2 LYS 47 2HB LYS 47 -24.133 -4.561 -6.243 239 HB3 LYS 47 1HB LYS 47 -24.948 -5.924 -5.504 240 HG2 LYS 47 2HG LYS 47 -26.657 -4.492 -6.226 241 HG3 LYS 47 1HG LYS 47 -26.551 -4.243 -4.491 242 HD2 LYS 47 2HD LYS 47 -26.810 -2.103 -5.411 243 HD3 LYS 47 1HD LYS 47 -25.101 -2.200 -5.029 244 HE2 LYS 47 2HE LYS 47 -26.401 -2.489 -7.754 245 HE3 LYS 47 1HE LYS 47 -25.467 -1.132 -7.172 246 HZ1 LYS 47 3HZ LYS 47 -23.472 -2.729 -7.104 247 HZ2 LYS 47 1HZ LYS 47 -24.122 -2.431 -8.635 248 HZ3 LYS 47 2HZ LYS 47 -24.488 -3.839 -7.892 249 H ASP 48 H ASP 48 -21.854 -4.484 -5.587 250 HA ASP 48 HA ASP 48 -20.493 -6.802 -4.394 251 HB2 ASP 48 2HB ASP 48 -19.741 -7.601 -6.485 252 HB3 ASP 48 1HB ASP 48 -21.405 -7.131 -6.810 253 H GLU 49 H GLU 49 -20.538 -3.569 -5.212 254 HA GLU 49 HA GLU 49 -17.881 -3.005 -5.901 255 HB2 GLU 49 2HB GLU 49 -19.806 -1.141 -4.508 256 HB3 GLU 49 1HB GLU 49 -18.401 -0.697 -5.452 257 HG2 GLU 49 2HG GLU 49 -20.048 -0.255 -6.963 258 HG3 GLU 49 1HG GLU 49 -19.715 -1.928 -7.385 259 H LYS 50 H LYS 50 -19.365 -3.408 -2.830 260 HA LYS 50 HA LYS 50 -17.359 -2.191 -1.256 261 HB2 LYS 50 2HB LYS 50 -19.683 -2.856 -0.530 262 HB3 LYS 50 1HB LYS 50 -19.189 -4.523 -0.624 263 HG2 LYS 50 2HG LYS 50 -19.239 -3.980 1.640 264 HG3 LYS 50 1HG LYS 50 -17.532 -4.001 1.206 265 HD2 LYS 50 2HD LYS 50 -17.402 -1.680 1.188 266 HD3 LYS 50 1HD LYS 50 -19.160 -1.496 1.201 267 HE2 LYS 50 2HE LYS 50 -19.278 -2.432 3.451 268 HE3 LYS 50 1HE LYS 50 -17.542 -2.694 3.473 269 HZ1 LYS 50 3HZ LYS 50 -17.285 -0.223 3.371 270 HZ2 LYS 50 1HZ LYS 50 -18.093 -0.739 4.727 271 HZ3 LYS 50 2HZ LYS 50 -18.956 -0.043 3.517 272 H ALA 51 H ALA 51 -17.948 -5.492 -2.096 273 HA ALA 51 HA ALA 51 -15.489 -6.559 -1.132 274 HB1 ALA 51 1HB ALA 51 -17.472 -7.951 -1.466 275 HB2 ALA 51 2HB ALA 51 -16.087 -8.587 -2.357 276 HB3 ALA 51 3HB ALA 51 -17.353 -7.700 -3.207 277 H ARG 52 H ARG 52 -16.567 -5.418 -4.259 278 HA ARG 52 HA ARG 52 -14.397 -6.159 -5.862 279 HB2 ARG 52 2HB ARG 52 -16.674 -5.143 -6.547 280 HB3 ARG 52 1HB ARG 52 -15.929 -3.592 -6.189 281 HG2 ARG 52 2HG ARG 52 -14.106 -4.295 -7.824 282 HG3 ARG 52 1HG ARG 52 -15.220 -5.552 -8.333 283 HD2 ARG 52 2HD ARG 52 -15.722 -2.583 -8.392 284 HD3 ARG 52 1HD ARG 52 -15.418 -3.618 -9.778 285 HE ARG 52 HE ARG 52 -17.691 -4.591 -8.433 286 HH11 ARG 52 1HH1 ARG 52 -16.692 -1.827 -10.406 287 HH12 ARG 52 2HH1 ARG 52 -18.284 -1.441 -10.892 288 HH21 ARG 52 1HH2 ARG 52 -19.850 -4.045 -9.093 289 HH22 ARG 52 2HH2 ARG 52 -20.093 -2.718 -10.140 290 H LEU 53 H LEU 53 -14.954 -3.199 -3.825 291 HA LEU 53 HA LEU 53 -12.580 -1.989 -4.619 292 HB2 LEU 53 2HB LEU 53 -14.315 -0.688 -3.701 293 HB3 LEU 53 1HB LEU 53 -14.393 -1.690 -2.261 294 HG LEU 53 HG LEU 53 -12.185 -1.079 -1.756 295 HD11 LEU 53 1HD1 LEU 53 -11.300 -0.299 -3.866 296 HD12 LEU 53 2HD1 LEU 53 -11.244 1.082 -2.768 297 HD13 LEU 53 3HD1 LEU 53 -12.526 0.958 -3.974 298 HD21 LEU 53 3HD2 LEU 53 -14.188 1.146 -1.864 299 HD22 LEU 53 1HD2 LEU 53 -12.731 1.192 -0.873 300 HD23 LEU 53 2HD2 LEU 53 -13.951 -0.048 -0.586 301 H LEU 54 H LEU 54 -13.423 -4.221 -2.013 302 HA LEU 54 HA LEU 54 -10.934 -4.055 -0.719 303 HB2 LEU 54 2HB LEU 54 -12.882 -6.346 -0.811 304 HB3 LEU 54 1HB LEU 54 -11.464 -6.309 0.218 305 HG LEU 54 HG LEU 54 -13.812 -4.435 0.344 306 HD11 LEU 54 1HD1 LEU 54 -14.162 -5.437 2.541 307 HD12 LEU 54 2HD1 LEU 54 -12.816 -6.540 2.255 308 HD13 LEU 54 3HD1 LEU 54 -14.269 -6.637 1.253 309 HD21 LEU 54 3HD2 LEU 54 -11.785 -3.199 0.857 310 HD22 LEU 54 1HD2 LEU 54 -11.255 -4.478 1.952 311 HD23 LEU 54 2HD2 LEU 54 -12.677 -3.511 2.326 312 H ARG 55 H ARG 55 -11.945 -5.828 -3.466 313 HA ARG 55 HA ARG 55 -9.606 -7.457 -3.680 314 HB2 ARG 55 2HB ARG 55 -11.893 -7.841 -4.791 315 HB3 ARG 55 1HB ARG 55 -11.457 -6.588 -5.929 316 HG2 ARG 55 2HG ARG 55 -9.868 -9.131 -5.570 317 HG3 ARG 55 1HG ARG 55 -11.188 -8.970 -6.716 318 HD2 ARG 55 2HD ARG 55 -9.969 -7.165 -7.840 319 HD3 ARG 55 1HD ARG 55 -8.652 -7.338 -6.679 320 HE ARG 55 HE ARG 55 -8.855 -9.797 -7.647 321 HH11 ARG 55 1HH1 ARG 55 -8.738 -6.693 -9.326 322 HH12 ARG 55 2HH1 ARG 55 -7.914 -7.279 -10.690 323 HH21 ARG 55 1HH2 ARG 55 -7.731 -10.639 -9.539 324 HH22 ARG 55 2HH2 ARG 55 -7.308 -9.588 -10.808 325 H GLU 56 H GLU 56 -10.548 -4.259 -4.760 326 HA GLU 56 HA GLU 56 -8.310 -3.698 -6.358 327 HB2 GLU 56 2HB GLU 56 -10.335 -2.374 -6.510 328 HB3 GLU 56 1HB GLU 56 -10.184 -1.887 -4.834 329 HG2 GLU 56 2HG GLU 56 -8.363 -0.517 -5.286 330 HG3 GLU 56 1HG GLU 56 -8.143 -1.195 -6.911 331 H LEU 57 H LEU 57 -8.825 -3.522 -2.874 332 HA LEU 57 HA LEU 57 -6.335 -2.208 -2.562 333 HB2 LEU 57 2HB LEU 57 -6.586 -2.223 -0.178 334 HB3 LEU 57 1HB LEU 57 -8.120 -1.820 -0.893 335 HG LEU 57 HG LEU 57 -8.850 -4.194 -0.359 336 HD11 LEU 57 1HD1 LEU 57 -6.365 -4.085 1.336 337 HD12 LEU 57 2HD1 LEU 57 -6.623 -5.151 -0.042 338 HD13 LEU 57 3HD1 LEU 57 -7.623 -5.321 1.413 339 HD21 LEU 57 3HD2 LEU 57 -9.272 -3.628 1.974 340 HD22 LEU 57 1HD2 LEU 57 -9.558 -2.251 0.907 341 HD23 LEU 57 2HD2 LEU 57 -8.082 -2.329 1.869 342 H THR 58 H THR 58 -7.363 -5.491 -2.696 343 HA THR 58 HA THR 58 -5.077 -6.724 -1.758 344 HB THR 58 HB THR 58 -6.696 -7.653 -4.156 345 HG1 THR 58 1HG THR 58 -7.250 -7.866 -1.379 346 HG21 THR 58 3HG2 THR 58 -6.211 -9.888 -3.276 347 HG22 THR 58 1HG2 THR 58 -5.344 -9.174 -1.914 348 HG23 THR 58 2HG2 THR 58 -4.710 -9.001 -3.545 349 H VAL 59 H VAL 59 -5.902 -5.279 -4.850 350 HA VAL 59 HA VAL 59 -3.473 -5.862 -6.205 351 HB VAL 59 HB VAL 59 -5.405 -3.558 -6.676 352 HG11 VAL 59 1HG1 VAL 59 -3.231 -3.182 -7.741 353 HG12 VAL 59 2HG1 VAL 59 -4.502 -3.478 -8.926 354 HG13 VAL 59 3HG1 VAL 59 -3.351 -4.754 -8.538 355 HG21 VAL 59 3HG2 VAL 59 -5.295 -6.281 -7.973 356 HG22 VAL 59 1HG2 VAL 59 -6.386 -4.968 -8.413 357 HG23 VAL 59 2HG2 VAL 59 -6.518 -5.727 -6.827 358 H SER 60 H SER 60 -4.558 -3.218 -4.167 359 HA SER 60 HA SER 60 -2.365 -1.514 -4.535 360 HB2 SER 60 2HB SER 60 -4.149 -1.729 -2.099 361 HB3 SER 60 1HB SER 60 -3.111 -0.361 -2.500 362 HG SER 60 HG SER 60 -5.121 -1.270 -4.298 363 H GLU 61 H GLU 61 -2.932 -3.874 -2.035 364 HA GLU 61 HA GLU 61 -0.391 -3.538 -0.864 365 HB2 GLU 61 2HB GLU 61 -0.785 -5.714 0.309 366 HB3 GLU 61 1HB GLU 61 -2.094 -4.561 0.493 367 HG2 GLU 61 2HG GLU 61 -3.352 -5.752 -1.229 368 HG3 GLU 61 1HG GLU 61 -2.050 -6.931 -1.346 369 H ALA 62 H ALA 62 -1.480 -5.365 -3.583 370 HA ALA 62 HA ALA 62 0.716 -7.082 -3.864 371 HB1 ALA 62 1HB ALA 62 -1.375 -7.355 -5.129 372 HB2 ALA 62 2HB ALA 62 0.043 -7.377 -6.178 373 HB3 ALA 62 3HB ALA 62 -0.966 -5.935 -6.084 374 H PHE 63 H PHE 63 0.278 -3.762 -5.143 375 HA PHE 63 HA PHE 63 2.921 -3.992 -6.172 376 HB2 PHE 63 2HB PHE 63 2.832 -1.442 -6.606 377 HB3 PHE 63 1HB PHE 63 1.787 -2.486 -7.548 378 HD1 PHE 63 1HD PHE 63 1.884 -0.169 -4.680 379 HD2 PHE 63 2HD PHE 63 -0.476 -2.221 -7.544 380 HE1 PHE 63 1HE PHE 63 -0.073 1.150 -4.023 381 HE2 PHE 63 2HE PHE 63 -2.424 -0.910 -6.893 382 HZ PHE 63 HZ PHE 63 -2.235 0.733 -5.116 383 H ILE 64 H ILE 64 1.673 -2.826 -3.195 384 HA ILE 64 HA ILE 64 4.129 -1.816 -2.277 385 HB ILE 64 HB ILE 64 1.784 -2.999 -0.803 386 HG12 ILE 64 2HG1 ILE 64 1.667 -0.690 -1.632 387 HG13 ILE 64 1HG1 ILE 64 1.585 -0.787 0.130 388 HG21 ILE 64 1HG2 ILE 64 2.837 -2.517 1.364 389 HG22 ILE 64 2HG2 ILE 64 4.347 -2.146 0.538 390 HG23 ILE 64 3HG2 ILE 64 3.701 -3.783 0.484 391 HD11 ILE 64 3HD1 ILE 64 3.008 1.092 -0.499 392 HD12 ILE 64 1HD1 ILE 64 4.008 0.043 -1.503 393 HD13 ILE 64 2HD1 ILE 64 3.986 -0.151 0.238 394 H GLU 65 H GLU 65 2.951 -5.147 -2.261 395 HA GLU 65 HA GLU 65 5.254 -6.256 -1.116 396 HB2 GLU 65 2HB GLU 65 3.200 -7.553 -1.376 397 HB3 GLU 65 1HB GLU 65 3.338 -7.463 -3.129 398 HG2 GLU 65 2HG GLU 65 5.325 -8.782 -3.092 399 HG3 GLU 65 1HG GLU 65 5.343 -8.776 -1.332 400 H GLY 66 H GLY 66 4.449 -5.468 -4.438 401 HA2 GLY 66 2HA GLY 66 6.716 -6.481 -5.738 402 HA3 GLY 66 1HA GLY 66 5.736 -5.135 -6.291 403 H SER 67 H SER 67 6.143 -3.252 -4.369 404 HA SER 67 HA SER 67 8.688 -2.316 -5.109 405 HB2 SER 67 2HB SER 67 8.043 -0.410 -3.507 406 HB3 SER 67 1HB SER 67 7.045 -0.643 -4.935 407 HG SER 67 HG SER 67 5.472 -1.470 -3.753 408 H ARG 68 H ARG 68 7.367 -3.821 -2.233 409 HA ARG 68 HA ARG 68 9.651 -3.269 -0.727 410 HB2 ARG 68 2HB ARG 68 7.615 -5.466 -0.280 411 HB3 ARG 68 1HB ARG 68 8.935 -5.146 0.833 412 HG2 ARG 68 2HG ARG 68 8.038 -2.907 1.235 413 HG3 ARG 68 1HG ARG 68 6.710 -3.246 0.121 414 HD2 ARG 68 2HD ARG 68 5.931 -3.576 2.371 415 HD3 ARG 68 1HD ARG 68 6.044 -5.144 1.581 416 HE ARG 68 HE ARG 68 8.435 -4.853 2.852 417 HH11 ARG 68 1HH1 ARG 68 5.061 -5.072 3.854 418 HH12 ARG 68 2HH1 ARG 68 5.409 -5.329 5.509 419 HH21 ARG 68 1HH2 ARG 68 8.920 -5.372 5.047 420 HH22 ARG 68 2HH2 ARG 68 7.675 -5.587 6.199 421 H GLY 69 H GLY 69 8.781 -6.088 -2.591 422 HA2 GLY 69 2HA GLY 69 11.153 -7.489 -2.119 423 HA3 GLY 69 1HA GLY 69 10.132 -7.657 -3.546 424 H TYR 70 H TYR 70 10.441 -4.726 -4.032 425 HA TYR 70 HA TYR 70 12.568 -4.959 -5.976 426 HB2 TYR 70 2HB TYR 70 10.544 -3.594 -6.385 427 HB3 TYR 70 1HB TYR 70 10.980 -2.558 -5.043 428 HD1 TYR 70 2HD TYR 70 12.844 -0.912 -5.286 429 HD2 TYR 70 1HD TYR 70 11.594 -3.380 -8.533 430 HE1 TYR 70 2HE TYR 70 13.971 0.582 -6.849 431 HE2 TYR 70 1HE TYR 70 12.726 -1.870 -10.103 432 HH TYR 70 HH TYR 70 13.320 0.579 -10.063 433 H PHE 71 H PHE 71 12.023 -3.074 -3.101 434 HA PHE 71 HA PHE 71 14.576 -1.991 -3.092 435 HB2 PHE 71 2HB PHE 71 12.507 -2.143 -0.913 436 HB3 PHE 71 1HB PHE 71 14.036 -1.282 -0.722 437 HD1 PHE 71 1HD PHE 71 14.518 0.206 -2.995 438 HD2 PHE 71 2HD PHE 71 10.729 -0.740 -1.318 439 HE1 PHE 71 1HE PHE 71 13.553 2.183 -4.078 440 HE2 PHE 71 2HE PHE 71 9.755 1.241 -2.409 441 HZ PHE 71 HZ PHE 71 11.168 2.701 -3.788 442 H GLN 72 H GLN 72 13.252 -4.870 -1.617 443 HA GLN 72 HA GLN 72 15.537 -5.456 -0.096 444 HB2 GLN 72 2HB GLN 72 13.380 -7.312 -1.098 445 HB3 GLN 72 1HB GLN 72 14.656 -7.794 0.014 446 HG2 GLN 72 2HG GLN 72 13.872 -6.065 1.601 447 HG3 GLN 72 1HG GLN 72 12.556 -5.696 0.492 448 HE21 GLN 72 1HE2 GLN 72 13.828 -7.935 2.780 449 HE22 GLN 72 2HE2 GLN 72 12.399 -8.901 2.909 450 H ARG 73 H ARG 73 14.727 -6.156 -3.430 451 HA ARG 73 HA ARG 73 16.944 -7.814 -3.992 452 HB2 ARG 73 2HB ARG 73 15.341 -5.927 -5.692 453 HB3 ARG 73 1HB ARG 73 16.651 -6.895 -6.345 454 HG2 ARG 73 2HG ARG 73 15.439 -8.786 -6.315 455 HG3 ARG 73 1HG ARG 73 14.638 -8.368 -4.798 456 HD2 ARG 73 2HD ARG 73 13.030 -8.374 -6.585 457 HD3 ARG 73 1HD ARG 73 13.340 -6.761 -5.913 458 HE ARG 73 HE ARG 73 14.964 -7.159 -8.171 459 HH11 ARG 73 1HH1 ARG 73 11.527 -6.690 -7.442 460 HH12 ARG 73 2HH1 ARG 73 11.205 -5.829 -8.880 461 HH21 ARG 73 1HH2 ARG 73 14.484 -6.014 -10.169 462 HH22 ARG 73 2HH2 ARG 73 12.884 -5.475 -10.454 463 H GLU 74 H GLU 74 16.503 -4.326 -4.088 464 HA GLU 74 HA GLU 74 19.113 -3.724 -4.932 465 HB2 GLU 74 2HB GLU 74 17.221 -2.022 -3.288 466 HB3 GLU 74 1HB GLU 74 18.701 -1.441 -4.027 467 HG2 GLU 74 2HG GLU 74 16.330 -2.540 -5.525 468 HG3 GLU 74 1HG GLU 74 16.695 -0.832 -5.306 469 H LEU 75 H LEU 75 17.789 -4.483 -1.863 470 HA LEU 75 HA LEU 75 20.019 -3.704 -0.259 471 HB2 LEU 75 2HB LEU 75 17.848 -5.726 0.243 472 HB3 LEU 75 1HB LEU 75 19.129 -5.439 1.394 473 HG LEU 75 HG LEU 75 17.156 -3.328 0.488 474 HD11 LEU 75 1HD1 LEU 75 17.285 -4.928 3.048 475 HD12 LEU 75 2HD1 LEU 75 16.076 -5.133 1.787 476 HD13 LEU 75 3HD1 LEU 75 16.154 -3.624 2.697 477 HD21 LEU 75 3HD2 LEU 75 19.345 -2.460 1.242 478 HD22 LEU 75 1HD2 LEU 75 19.167 -3.364 2.740 479 HD23 LEU 75 2HD2 LEU 75 18.051 -2.054 2.370 480 H LYS 76 H LYS 76 19.661 -6.248 -2.463 481 HA LYS 76 HA LYS 76 21.914 -7.699 -1.277 482 HB2 LYS 76 2HB LYS 76 19.828 -8.637 -3.231 483 HB3 LYS 76 1HB LYS 76 21.148 -9.611 -2.594 484 HG2 LYS 76 2HG LYS 76 20.244 -9.458 -0.373 485 HG3 LYS 76 1HG LYS 76 18.977 -8.364 -0.932 486 HD2 LYS 76 2HD LYS 76 18.143 -10.089 -2.397 487 HD3 LYS 76 1HD LYS 76 19.368 -11.219 -1.806 488 HE2 LYS 76 2HE LYS 76 17.215 -11.597 -0.691 489 HE3 LYS 76 1HE LYS 76 18.430 -11.035 0.454 490 HZ1 LYS 76 3HZ LYS 76 16.217 -9.968 0.656 491 HZ2 LYS 76 1HZ LYS 76 16.445 -9.254 -0.842 492 HZ3 LYS 76 2HZ LYS 76 17.457 -8.860 0.454 493 H ARG 77 H ARG 77 21.118 -5.543 -3.596 494 HA ARG 77 HA ARG 77 22.281 -6.454 -5.990 495 HB2 ARG 77 2HB ARG 77 20.719 -4.497 -5.692 496 HB3 ARG 77 1HB ARG 77 22.110 -3.627 -5.021 497 HG2 ARG 77 2HG ARG 77 23.271 -3.747 -7.100 498 HG3 ARG 77 1HG ARG 77 21.998 -4.745 -7.801 499 HD2 ARG 77 2HD ARG 77 20.427 -2.969 -7.691 500 HD3 ARG 77 1HD ARG 77 21.515 -1.989 -6.709 501 HE ARG 77 HE ARG 77 22.690 -2.679 -9.175 502 HH11 ARG 77 1HH1 ARG 77 20.134 -0.560 -7.896 503 HH12 ARG 77 2HH1 ARG 77 20.571 0.756 -8.890 504 HH21 ARG 77 1HH2 ARG 77 23.214 -0.880 -10.581 505 HH22 ARG 77 2HH2 ARG 77 22.316 0.556 -10.454 506 H THR 78 H THR 78 23.611 -5.029 -3.161 507 HA THR 78 HA THR 78 25.670 -4.633 -2.415 508 HB THR 78 HB THR 78 26.771 -5.656 -5.081 509 HG1 THR 78 1HG THR 78 25.578 -6.949 -3.036 510 HG21 THR 78 3HG2 THR 78 28.845 -6.040 -3.816 511 HG22 THR 78 1HG2 THR 78 28.081 -5.391 -2.365 512 HG23 THR 78 2HG2 THR 78 28.392 -4.335 -3.742 513 H ASP 79 H ASP 79 24.550 -3.346 -5.390 514 HA ASP 79 HA ASP 79 26.172 -0.947 -5.222 515 HB2 ASP 79 2HB ASP 79 23.811 -1.592 -7.009 516 HB3 ASP 79 1HB ASP 79 24.668 -0.065 -7.020 517 H LEU 80 H LEU 80 25.404 -0.806 -3.014 518 HA LEU 80 HA LEU 80 23.630 1.497 -2.713 519 HB2 LEU 80 2HB LEU 80 22.085 0.538 -1.260 520 HB3 LEU 80 1HB LEU 80 22.101 -0.596 -2.586 521 HG LEU 80 HG LEU 80 23.590 -0.960 -0.002 522 HD11 LEU 80 1HD1 LEU 80 20.974 -2.113 -0.933 523 HD12 LEU 80 2HD1 LEU 80 21.179 -0.921 0.350 524 HD13 LEU 80 3HD1 LEU 80 21.798 -2.566 0.562 525 HD21 LEU 80 3HD2 LEU 80 24.532 -2.277 -1.829 526 HD22 LEU 80 1HD2 LEU 80 22.937 -2.937 -2.190 527 HD23 LEU 80 2HD2 LEU 80 23.725 -3.324 -0.663 528 H ASP 81 H ASP 81 23.828 2.430 -1.049 529 HA ASP 81 HA ASP 81 26.212 1.878 0.551 530 HB2 ASP 81 2HB ASP 81 26.376 3.850 -0.957 531 HB3 ASP 81 1HB ASP 81 24.895 4.489 -0.274 532 H LEU 82 H LEU 82 25.811 3.023 2.810 533 HA LEU 82 HA LEU 82 23.489 2.020 3.942 534 HB2 LEU 82 2HB LEU 82 24.034 3.379 5.952 535 HB3 LEU 82 1HB LEU 82 25.390 2.455 5.368 536 HG LEU 82 HG LEU 82 26.136 4.682 4.256 537 HD11 LEU 82 1HD1 LEU 82 24.257 5.766 6.347 538 HD12 LEU 82 2HD1 LEU 82 24.112 5.966 4.601 539 HD13 LEU 82 3HD1 LEU 82 25.465 6.701 5.468 540 HD21 LEU 82 3HD2 LEU 82 26.216 4.297 7.238 541 HD22 LEU 82 1HD2 LEU 82 27.284 5.351 6.313 542 HD23 LEU 82 2HD2 LEU 82 27.328 3.605 6.058 543 H LEU 83 H LEU 83 24.142 4.968 2.395 544 HA LEU 83 HA LEU 83 21.972 6.638 2.998 545 HB2 LEU 83 2HB LEU 83 24.094 6.978 1.545 546 HB3 LEU 83 1HB LEU 83 23.235 6.070 0.338 547 HG LEU 83 HG LEU 83 23.309 8.607 0.019 548 HD11 LEU 83 1HD1 LEU 83 21.010 8.821 -0.769 549 HD12 LEU 83 2HD1 LEU 83 20.582 7.334 0.075 550 HD13 LEU 83 3HD1 LEU 83 21.738 7.291 -1.259 551 HD21 LEU 83 3HD2 LEU 83 22.914 9.246 2.319 552 HD22 LEU 83 1HD2 LEU 83 21.302 8.537 2.247 553 HD23 LEU 83 2HD2 LEU 83 21.687 9.935 1.251 554 H GLU 84 H GLU 84 22.333 4.226 0.547 555 HA GLU 84 HA GLU 84 19.738 4.617 -0.494 556 HB2 GLU 84 2HB GLU 84 21.832 2.532 -1.015 557 HB3 GLU 84 1HB GLU 84 20.357 2.738 -1.973 558 HG2 GLU 84 2HG GLU 84 21.021 4.966 -2.586 559 HG3 GLU 84 1HG GLU 84 22.432 4.864 -1.541 560 H LYS 85 H LYS 85 21.318 2.306 1.528 561 HA LYS 85 HA LYS 85 19.308 0.437 1.934 562 HB2 LYS 85 2HB LYS 85 21.267 1.499 3.954 563 HB3 LYS 85 1HB LYS 85 20.236 0.106 4.191 564 HG2 LYS 85 2HG LYS 85 21.410 -1.025 2.366 565 HG3 LYS 85 1HG LYS 85 22.496 0.375 2.234 566 HD2 LYS 85 2HD LYS 85 23.155 0.077 4.569 567 HD3 LYS 85 1HD LYS 85 22.042 -1.273 4.710 568 HE2 LYS 85 2HE LYS 85 23.328 -2.477 3.004 569 HE3 LYS 85 1HE LYS 85 24.461 -1.125 2.947 570 HZ1 LYS 85 3HZ LYS 85 23.844 -2.704 5.376 571 HZ2 LYS 85 1HZ LYS 85 24.980 -1.488 5.274 572 HZ3 LYS 85 2HZ LYS 85 25.229 -2.944 4.461 573 H PHE 86 H PHE 86 19.893 3.600 3.433 574 HA PHE 86 HA PHE 86 17.982 3.196 5.333 575 HB2 PHE 86 2HB PHE 86 19.701 4.941 5.572 576 HB3 PHE 86 1HB PHE 86 18.919 5.882 4.307 577 HD1 PHE 86 2HD PHE 86 18.214 4.331 7.608 578 HD2 PHE 86 1HD PHE 86 17.354 7.497 4.906 579 HE1 PHE 86 2HE PHE 86 16.778 5.373 9.302 580 HE2 PHE 86 1HE PHE 86 15.907 8.547 6.599 581 HZ PHE 86 HZ PHE 86 15.623 7.483 8.803 582 H ASN 87 H ASN 87 17.721 4.198 2.126 583 HA ASN 87 HA ASN 87 15.095 5.373 2.221 584 HB2 ASN 87 2HB ASN 87 16.822 4.502 -0.117 585 HB3 ASN 87 1HB ASN 87 15.217 5.184 -0.312 586 HD21 ASN 87 1HD2 ASN 87 17.788 6.170 -1.291 587 HD22 ASN 87 2HD2 ASN 87 17.942 7.756 -0.657 588 H PHE 88 H PHE 88 16.577 2.302 1.464 589 HA PHE 88 HA PHE 88 14.212 1.100 0.440 590 HB2 PHE 88 2HB PHE 88 16.574 -0.314 1.655 591 HB3 PHE 88 1HB PHE 88 15.421 -1.029 0.554 592 HD1 PHE 88 1HD PHE 88 15.381 1.451 -1.333 593 HD2 PHE 88 2HD PHE 88 18.461 -0.856 0.446 594 HE1 PHE 88 1HE PHE 88 16.915 2.122 -3.117 595 HE2 PHE 88 2HE PHE 88 19.990 -0.186 -1.332 596 HZ PHE 88 HZ PHE 88 19.241 1.317 -3.064 597 H GLU 89 H GLU 89 15.900 0.963 3.559 598 HA GLU 89 HA GLU 89 13.926 -0.702 4.662 599 HB2 GLU 89 2HB GLU 89 14.898 -0.220 6.844 600 HB3 GLU 89 1HB GLU 89 16.170 -0.563 5.688 601 HG2 GLU 89 2HG GLU 89 16.739 1.730 5.538 602 HG3 GLU 89 1HG GLU 89 15.337 2.207 6.496 603 H ALA 90 H ALA 90 14.280 2.737 4.171 604 HA ALA 90 HA ALA 90 12.230 3.301 6.099 605 HB1 ALA 90 1HB ALA 90 12.131 5.581 5.182 606 HB2 ALA 90 2HB ALA 90 13.149 5.069 3.833 607 HB3 ALA 90 3HB ALA 90 13.794 5.072 5.471 608 H ALA 91 H ALA 91 12.259 2.754 2.659 609 HA ALA 91 HA ALA 91 9.496 3.301 2.266 610 HB1 ALA 91 1HB ALA 91 9.806 2.318 0.065 611 HB2 ALA 91 2HB ALA 91 11.361 1.649 0.567 612 HB3 ALA 91 3HB ALA 91 11.155 3.395 0.440 613 H LEU 92 H LEU 92 11.326 0.378 2.924 614 HA LEU 92 HA LEU 92 9.224 -1.449 2.588 615 HB2 LEU 92 2HB LEU 92 11.507 -1.617 4.568 616 HB3 LEU 92 1HB LEU 92 10.496 -2.957 4.071 617 HG LEU 92 HG LEU 92 12.410 -1.437 2.305 618 HD11 LEU 92 1HD1 LEU 92 12.604 -4.244 3.352 619 HD12 LEU 92 2HD1 LEU 92 13.528 -2.865 3.940 620 HD13 LEU 92 3HD1 LEU 92 13.745 -3.433 2.283 621 HD21 LEU 92 3HD2 LEU 92 10.635 -3.789 1.720 622 HD22 LEU 92 1HD2 LEU 92 11.950 -3.237 0.685 623 HD23 LEU 92 2HD2 LEU 92 10.577 -2.182 0.995 624 H ALA 93 H ALA 93 10.156 0.497 5.348 625 HA ALA 93 HA ALA 93 8.164 -0.623 7.040 626 HB1 ALA 93 1HB ALA 93 9.691 1.959 7.347 627 HB2 ALA 93 2HB ALA 93 10.210 0.384 7.952 628 HB3 ALA 93 3HB ALA 93 8.761 1.146 8.605 629 H THR 94 H THR 94 8.264 2.026 4.809 630 HA THR 94 HA THR 94 5.948 3.220 5.852 631 HB THR 94 HB THR 94 7.274 3.568 3.148 632 HG1 THR 94 1HG THR 94 8.649 4.231 4.779 633 HG21 THR 94 3HG2 THR 94 4.911 4.340 3.141 634 HG22 THR 94 1HG2 THR 94 6.038 5.692 3.018 635 HG23 THR 94 2HG2 THR 94 5.248 5.339 4.554 636 H GLY 95 H GLY 95 6.700 0.967 3.262 637 HA2 GLY 95 2HA GLY 95 4.093 0.773 2.195 638 HA3 GLY 95 1HA GLY 95 5.399 -0.391 1.980 639 H ASP 96 H ASP 96 5.838 -0.966 4.693 640 HA ASP 96 HA ASP 96 3.957 -3.009 5.111 641 HB2 ASP 96 2HB ASP 96 6.276 -3.030 6.020 642 HB3 ASP 96 1HB ASP 96 5.793 -1.799 7.185 643 H LEU 97 H LEU 97 4.405 0.095 6.709 644 HA LEU 97 HA LEU 97 2.356 -0.224 8.583 645 HB2 LEU 97 2HB LEU 97 3.505 2.317 7.462 646 HB3 LEU 97 1HB LEU 97 2.438 2.228 8.851 647 HG LEU 97 HG LEU 97 5.206 1.073 8.637 648 HD11 LEU 97 1HD1 LEU 97 5.177 3.476 8.918 649 HD12 LEU 97 2HD1 LEU 97 5.775 2.675 10.364 650 HD13 LEU 97 3HD1 LEU 97 4.135 3.319 10.332 651 HD21 LEU 97 3HD2 LEU 97 4.884 0.460 11.033 652 HD22 LEU 97 1HD2 LEU 97 3.832 -0.416 9.915 653 HD23 LEU 97 2HD2 LEU 97 3.180 0.915 10.854 654 H LEU 98 H LEU 98 2.223 1.360 5.419 655 HA LEU 98 HA LEU 98 -0.536 1.921 5.782 656 HB2 LEU 98 2HB LEU 98 -0.583 2.711 3.531 657 HB3 LEU 98 1HB LEU 98 0.924 3.232 4.256 658 HG LEU 98 HG LEU 98 1.748 1.014 3.167 659 HD11 LEU 98 1HD1 LEU 98 -0.294 0.283 2.192 660 HD12 LEU 98 2HD1 LEU 98 0.747 0.803 0.858 661 HD13 LEU 98 3HD1 LEU 98 -0.555 1.841 1.413 662 HD21 LEU 98 3HD2 LEU 98 2.758 3.178 2.775 663 HD22 LEU 98 1HD2 LEU 98 1.439 3.642 1.700 664 HD23 LEU 98 2HD2 LEU 98 2.550 2.365 1.224 665 H LEU 99 H LEU 99 1.210 -0.889 4.624 666 HA LEU 99 HA LEU 99 -0.960 -2.081 3.275 667 HB2 LEU 99 2HB LEU 99 1.500 -2.753 3.075 668 HB3 LEU 99 1HB LEU 99 1.345 -3.512 4.636 669 HG LEU 99 HG LEU 99 -0.222 -4.398 2.186 670 HD11 LEU 99 1HD1 LEU 99 2.150 -4.647 1.775 671 HD12 LEU 99 2HD1 LEU 99 1.396 -6.223 2.026 672 HD13 LEU 99 3HD1 LEU 99 2.346 -5.482 3.314 673 HD21 LEU 99 3HD2 LEU 99 -0.545 -6.481 3.435 674 HD22 LEU 99 1HD2 LEU 99 -1.196 -5.115 4.343 675 HD23 LEU 99 2HD2 LEU 99 0.355 -5.820 4.800 676 H LYS 100 H LYS 100 0.236 -2.088 6.512 677 HA LYS 100 HA LYS 100 -1.697 -3.839 7.495 678 HB2 LYS 100 2HB LYS 100 0.314 -2.031 8.761 679 HB3 LYS 100 1HB LYS 100 -1.004 -2.620 9.756 680 HG2 LYS 100 2HG LYS 100 1.041 -3.984 9.970 681 HG3 LYS 100 1HG LYS 100 -0.334 -4.909 9.379 682 HD2 LYS 100 2HD LYS 100 0.554 -4.789 7.111 683 HD3 LYS 100 1HD LYS 100 1.886 -3.782 7.670 684 HE2 LYS 100 2HE LYS 100 1.348 -6.599 8.590 685 HE3 LYS 100 1HE LYS 100 2.510 -6.161 7.344 686 HZ1 LYS 100 3HZ LYS 100 3.635 -6.442 9.433 687 HZ2 LYS 100 1HZ LYS 100 2.636 -5.311 10.204 688 HZ3 LYS 100 2HZ LYS 100 3.684 -4.829 8.968 689 H ASP 101 H ASP 101 -1.586 -0.414 6.846 690 HA ASP 101 HA ASP 101 -3.896 0.166 8.384 691 HB2 ASP 101 2HB ASP 101 -2.282 1.936 7.562 692 HB3 ASP 101 1HB ASP 101 -2.959 1.718 5.951 693 H LEU 102 H LEU 102 -3.292 -0.670 5.029 694 HA LEU 102 HA LEU 102 -5.852 -0.692 3.918 695 HB2 LEU 102 2HB LEU 102 -3.584 -2.640 3.446 696 HB3 LEU 102 1HB LEU 102 -5.023 -2.557 2.463 697 HG LEU 102 HG LEU 102 -2.992 -0.326 2.711 698 HD11 LEU 102 1HD1 LEU 102 -3.419 -2.349 0.511 699 HD12 LEU 102 2HD1 LEU 102 -2.057 -2.341 1.619 700 HD13 LEU 102 3HD1 LEU 102 -2.277 -1.011 0.481 701 HD21 LEU 102 3HD2 LEU 102 -5.237 0.442 2.100 702 HD22 LEU 102 1HD2 LEU 102 -5.290 -0.760 0.809 703 HD23 LEU 102 2HD2 LEU 102 -4.121 0.551 0.735 704 H LYS 103 H LYS 103 -4.109 -3.249 5.638 705 HA LYS 103 HA LYS 103 -6.013 -5.223 5.593 706 HB2 LYS 103 2HB LYS 103 -3.599 -5.351 6.138 707 HB3 LYS 103 1HB LYS 103 -3.939 -4.576 7.665 708 HG2 LYS 103 2HG LYS 103 -5.260 -6.502 8.351 709 HG3 LYS 103 1HG LYS 103 -4.930 -7.278 6.795 710 HD2 LYS 103 2HD LYS 103 -2.546 -7.091 7.206 711 HD3 LYS 103 1HD LYS 103 -2.865 -6.356 8.766 712 HE2 LYS 103 2HE LYS 103 -2.335 -8.707 9.110 713 HE3 LYS 103 1HE LYS 103 -4.039 -8.447 9.471 714 HZ1 LYS 103 3HZ LYS 103 -2.917 -9.619 6.992 715 HZ2 LYS 103 1HZ LYS 103 -4.566 -9.354 7.266 716 HZ3 LYS 103 2HZ LYS 103 -3.711 -10.439 8.213 717 H ALA 104 H ALA 104 -5.566 -2.526 7.874 718 HA ALA 104 HA ALA 104 -7.443 -3.509 9.773 719 HB1 ALA 104 1HB ALA 104 -6.384 -0.706 9.391 720 HB2 ALA 104 2HB ALA 104 -5.653 -1.951 10.404 721 HB3 ALA 104 3HB ALA 104 -7.240 -1.304 10.812 722 H LEU 105 H LEU 105 -7.562 -1.249 7.084 723 HA LEU 105 HA LEU 105 -10.197 -0.476 7.677 724 HB2 LEU 105 2HB LEU 105 -10.121 0.981 5.865 725 HB3 LEU 105 1HB LEU 105 -8.425 0.810 6.235 726 HG LEU 105 HG LEU 105 -8.670 -1.109 4.396 727 HD11 LEU 105 1HD1 LEU 105 -10.716 0.931 3.576 728 HD12 LEU 105 2HD1 LEU 105 -11.003 -0.758 3.986 729 HD13 LEU 105 3HD1 LEU 105 -10.068 -0.351 2.547 730 HD21 LEU 105 3HD2 LEU 105 -7.720 0.466 2.793 731 HD22 LEU 105 1HD2 LEU 105 -7.059 0.775 4.397 732 HD23 LEU 105 2HD2 LEU 105 -8.322 1.820 3.747 733 H GLN 106 H GLN 106 -8.657 -2.926 5.768 734 HA GLN 106 HA GLN 106 -10.778 -3.904 4.223 735 HB2 GLN 106 2HB GLN 106 -8.398 -4.614 4.044 736 HB3 GLN 106 1HB GLN 106 -8.554 -5.407 5.598 737 HG2 GLN 106 2HG GLN 106 -10.442 -6.741 4.488 738 HG3 GLN 106 1HG GLN 106 -9.743 -6.165 2.970 739 HE21 GLN 106 1HE2 GLN 106 -7.629 -6.823 2.435 740 HE22 GLN 106 2HE2 GLN 106 -6.872 -8.159 3.202 741 H LYS 107 H LYS 107 -9.818 -4.739 7.506 742 HA LYS 107 HA LYS 107 -12.074 -6.492 7.718 743 HB2 LYS 107 2HB LYS 107 -10.228 -5.419 9.833 744 HB3 LYS 107 1HB LYS 107 -11.659 -6.352 10.239 745 HG2 LYS 107 2HG LYS 107 -9.826 -7.844 10.288 746 HG3 LYS 107 1HG LYS 107 -10.734 -8.213 8.830 747 HD2 LYS 107 2HD LYS 107 -9.114 -6.892 7.533 748 HD3 LYS 107 1HD LYS 107 -8.206 -6.587 9.011 749 HE2 LYS 107 2HE LYS 107 -7.145 -8.363 7.845 750 HE3 LYS 107 1HE LYS 107 -7.922 -9.044 9.266 751 HZ1 LYS 107 3HZ LYS 107 -8.897 -9.146 6.472 752 HZ2 LYS 107 1HZ LYS 107 -9.795 -9.731 7.777 753 HZ3 LYS 107 2HZ LYS 107 -8.311 -10.436 7.378 754 H ARG 108 H ARG 108 -11.693 -3.109 8.398 755 HA ARG 108 HA ARG 108 -14.167 -2.805 9.746 756 HB2 ARG 108 2HB ARG 108 -12.591 -0.939 9.704 757 HB3 ARG 108 1HB ARG 108 -12.655 -0.887 7.942 758 HG2 ARG 108 2HG ARG 108 -15.111 -0.379 8.146 759 HG3 ARG 108 1HG ARG 108 -14.848 -0.204 9.876 760 HD2 ARG 108 2HD ARG 108 -13.401 1.673 9.529 761 HD3 ARG 108 1HD ARG 108 -13.411 1.415 7.779 762 HE ARG 108 HE ARG 108 -15.933 1.944 9.166 763 HH11 ARG 108 1HH1 ARG 108 -13.418 3.211 7.024 764 HH12 ARG 108 2HH1 ARG 108 -14.446 4.305 6.230 765 HH21 ARG 108 1HH2 ARG 108 -17.336 3.448 8.085 766 HH22 ARG 108 2HH2 ARG 108 -16.748 4.461 6.858 767 H VAL 109 H VAL 109 -13.187 -2.566 6.386 768 HA VAL 109 HA VAL 109 -15.726 -1.994 5.491 769 HB VAL 109 HB VAL 109 -13.260 -2.876 4.013 770 HG11 VAL 109 1HG1 VAL 109 -15.277 -3.438 2.656 771 HG12 VAL 109 2HG1 VAL 109 -14.345 -2.126 1.938 772 HG13 VAL 109 3HG1 VAL 109 -15.819 -1.769 2.830 773 HG21 VAL 109 3HG2 VAL 109 -13.111 -0.739 5.111 774 HG22 VAL 109 1HG2 VAL 109 -14.609 -0.209 4.343 775 HG23 VAL 109 2HG2 VAL 109 -13.174 -0.518 3.363 776 H GLN 110 H GLN 110 -13.949 -5.102 5.570 777 HA GLN 110 HA GLN 110 -15.985 -6.461 4.255 778 HB2 GLN 110 2HB GLN 110 -15.032 -8.623 5.102 779 HB3 GLN 110 1HB GLN 110 -13.903 -7.607 4.230 780 HG2 GLN 110 2HG GLN 110 -12.909 -6.908 6.183 781 HG3 GLN 110 1HG GLN 110 -14.070 -7.743 7.231 782 HE21 GLN 110 1HE2 GLN 110 -14.032 -10.140 5.474 783 HE22 GLN 110 2HE2 GLN 110 -12.530 -10.905 5.775 784 H ASP 111 H ASP 111 -15.572 -5.594 7.527 785 HA ASP 111 HA ASP 111 -17.494 -7.407 8.445 786 HB2 ASP 111 2HB ASP 111 -15.769 -6.698 9.954 787 HB3 ASP 111 1HB ASP 111 -16.276 -5.023 9.819 788 H SER 112 H SER 112 -17.618 -4.161 7.193 789 HA SER 112 HA SER 112 -19.961 -3.226 8.455 790 HB2 SER 112 2HB SER 112 -18.972 -2.514 5.695 791 HB3 SER 112 1HB SER 112 -20.064 -1.559 6.688 792 HG SER 112 HG SER 112 -17.723 -2.142 7.984 793 H GLU 113 H GLU 113 -19.586 -4.990 5.341 794 HA GLU 113 HA GLU 113 -22.499 -5.217 5.211 795 HB2 GLU 113 2HB GLU 113 -20.585 -4.769 2.915 796 HB3 GLU 113 1HB GLU 113 -22.294 -5.114 2.738 797 HG2 GLU 113 2HG GLU 113 -21.173 -2.676 4.111 798 HG3 GLU 113 1HG GLU 113 -21.721 -2.722 2.435 Start of MODEL 15 1 H1 ASN 18 1HT ASN 18 8.179 13.159 2.257 2 H2 ASN 18 2HT ASN 18 8.429 13.298 3.928 3 H3 ASN 18 3HT ASN 18 8.049 11.806 3.217 4 HA ASN 18 HA ASN 18 10.482 13.316 2.560 5 HB2 ASN 18 2HB ASN 18 10.462 12.387 4.957 6 HB3 ASN 18 1HB ASN 18 10.247 10.793 4.258 7 HD21 ASN 18 1HD2 ASN 18 12.195 10.133 5.252 8 HD22 ASN 18 2HD2 ASN 18 13.727 10.591 4.637 9 H THR 19 H THR 19 12.027 11.256 1.767 10 HA THR 19 HA THR 19 11.043 10.711 -0.763 11 HB THR 19 HB THR 19 13.110 9.204 -0.810 12 HG1 THR 19 1HG THR 19 14.356 10.095 1.243 13 HG21 THR 19 3HG2 THR 19 13.131 11.575 -1.526 14 HG22 THR 19 1HG2 THR 19 14.635 11.127 -0.719 15 HG23 THR 19 2HG2 THR 19 13.415 12.059 0.146 16 H ALA 20 H ALA 20 11.215 8.667 2.132 17 HA ALA 20 HA ALA 20 10.461 6.223 0.962 18 HB1 ALA 20 1HB ALA 20 9.820 5.540 3.231 19 HB2 ALA 20 2HB ALA 20 9.898 7.221 3.747 20 HB3 ALA 20 3HB ALA 20 11.365 6.392 3.226 21 H THR 21 H THR 21 8.444 8.750 2.471 22 HA THR 21 HA THR 21 6.045 7.433 1.920 23 HB THR 21 HB THR 21 5.270 9.930 2.285 24 HG1 THR 21 1HG THR 21 7.185 10.219 4.093 25 HG21 THR 21 3HG2 THR 21 5.223 9.414 4.721 26 HG22 THR 21 1HG2 THR 21 6.337 8.081 4.420 27 HG23 THR 21 2HG2 THR 21 4.717 8.042 3.729 28 H GLN 22 H GLN 22 8.012 9.676 0.121 29 HA GLN 22 HA GLN 22 6.195 10.281 -1.948 30 HB2 GLN 22 2HB GLN 22 9.205 10.029 -1.965 31 HB3 GLN 22 1HB GLN 22 8.286 10.533 -3.371 32 HG2 GLN 22 2HG GLN 22 8.275 11.957 -0.727 33 HG3 GLN 22 1HG GLN 22 9.295 12.391 -2.097 34 HE21 GLN 22 1HE2 GLN 22 8.336 13.212 -3.942 35 HE22 GLN 22 2HE2 GLN 22 6.772 13.922 -3.917 36 H ARG 23 H ARG 23 8.410 7.599 -1.436 37 HA ARG 23 HA ARG 23 8.074 6.292 -3.896 38 HB2 ARG 23 2HB ARG 23 8.666 5.106 -1.185 39 HB3 ARG 23 1HB ARG 23 8.761 4.225 -2.693 40 HG2 ARG 23 2HG ARG 23 10.441 6.607 -1.951 41 HG3 ARG 23 1HG ARG 23 10.934 4.918 -1.841 42 HD2 ARG 23 2HD ARG 23 10.555 4.716 -4.294 43 HD3 ARG 23 1HD ARG 23 10.237 6.449 -4.346 44 HE ARG 23 HE ARG 23 12.703 5.734 -3.099 45 HH11 ARG 23 1HH1 ARG 23 11.208 6.498 -6.229 46 HH12 ARG 23 2HH1 ARG 23 12.667 6.939 -6.971 47 HH21 ARG 23 1HH2 ARG 23 14.714 6.348 -4.142 48 HH22 ARG 23 2HH2 ARG 23 14.694 6.842 -5.771 49 H PHE 24 H PHE 24 6.238 6.073 -0.857 50 HA PHE 24 HA PHE 24 4.512 4.274 -2.345 51 HB2 PHE 24 2HB PHE 24 4.912 4.459 0.618 52 HB3 PHE 24 1HB PHE 24 3.585 3.545 -0.105 53 HD1 PHE 24 1HD PHE 24 4.586 2.245 -2.362 54 HD2 PHE 24 2HD PHE 24 6.639 2.999 1.304 55 HE1 PHE 24 1HE PHE 24 6.060 0.358 -2.804 56 HE2 PHE 24 2HE PHE 24 8.111 1.100 0.844 57 HZ PHE 24 HZ PHE 24 7.827 -0.225 -1.206 58 H HIS 25 H HIS 25 4.465 7.221 -2.341 59 HA HIS 25 HA HIS 25 1.979 8.008 -1.290 60 HB2 HIS 25 2HB HIS 25 3.592 9.712 -1.881 61 HB3 HIS 25 1HB HIS 25 3.602 9.188 -3.557 62 HD1 HIS 25 1HD HIS 25 1.088 10.710 -1.072 63 HD2 HIS 25 2HD HIS 25 1.962 10.655 -5.146 64 HE1 HIS 25 1HE HIS 25 -0.481 12.329 -2.124 65 HE2 HIS 25 2HE HIS 25 0.288 12.505 -4.495 66 H GLU 26 H GLU 26 2.840 6.328 -4.182 67 HA GLU 26 HA GLU 26 0.462 6.611 -5.618 68 HB2 GLU 26 2HB GLU 26 1.108 4.451 -6.725 69 HB3 GLU 26 1HB GLU 26 2.371 5.668 -6.733 70 HG2 GLU 26 2HG GLU 26 3.482 4.519 -4.872 71 HG3 GLU 26 1HG GLU 26 2.202 3.310 -4.868 72 H ILE 27 H ILE 27 1.343 4.391 -3.054 73 HA ILE 27 HA ILE 27 -1.114 2.905 -3.278 74 HB ILE 27 HB ILE 27 0.664 2.913 -0.832 75 HG12 ILE 27 2HG1 ILE 27 2.144 2.618 -2.786 76 HG13 ILE 27 1HG1 ILE 27 2.027 1.139 -1.852 77 HG21 ILE 27 1HG2 ILE 27 -1.050 0.796 -2.145 78 HG22 ILE 27 2HG2 ILE 27 -1.463 1.707 -0.693 79 HG23 ILE 27 3HG2 ILE 27 -0.112 0.575 -0.670 80 HD11 ILE 27 3HD1 ILE 27 0.567 1.723 -4.412 81 HD12 ILE 27 1HD1 ILE 27 0.488 0.217 -3.497 82 HD13 ILE 27 2HD1 ILE 27 2.011 0.729 -4.240 83 H GLU 28 H GLU 28 0.233 5.464 -1.378 84 HA GLU 28 HA GLU 28 -1.725 5.819 0.569 85 HB2 GLU 28 2HB GLU 28 0.484 6.887 0.587 86 HB3 GLU 28 1HB GLU 28 0.026 7.830 -0.820 87 HG2 GLU 28 2HG GLU 28 -1.634 9.012 0.494 88 HG3 GLU 28 1HG GLU 28 -1.206 8.050 1.913 89 H LYS 29 H LYS 29 -1.448 7.274 -2.649 90 HA LYS 29 HA LYS 29 -3.846 8.751 -2.425 91 HB2 LYS 29 2HB LYS 29 -3.737 9.181 -4.825 92 HB3 LYS 29 1HB LYS 29 -2.161 9.407 -4.093 93 HG2 LYS 29 2HG LYS 29 -1.471 7.210 -4.931 94 HG3 LYS 29 1HG LYS 29 -3.052 7.010 -5.680 95 HD2 LYS 29 2HD LYS 29 -1.076 9.196 -6.328 96 HD3 LYS 29 1HD LYS 29 -1.324 7.738 -7.282 97 HE2 LYS 29 2HE LYS 29 -3.661 8.412 -7.677 98 HE3 LYS 29 1HE LYS 29 -3.383 9.879 -6.740 99 HZ1 LYS 29 3HZ LYS 29 -1.663 10.493 -8.358 100 HZ2 LYS 29 1HZ LYS 29 -3.188 10.351 -9.073 101 HZ3 LYS 29 2HZ LYS 29 -2.050 9.130 -9.269 102 H PHE 30 H PHE 30 -3.176 5.509 -3.659 103 HA PHE 30 HA PHE 30 -5.805 5.047 -4.534 104 HB2 PHE 30 2HB PHE 30 -3.514 3.300 -3.883 105 HB3 PHE 30 1HB PHE 30 -5.118 2.569 -3.938 106 HD1 PHE 30 1HD PHE 30 -2.647 4.466 -5.942 107 HD2 PHE 30 2HD PHE 30 -6.204 2.144 -5.977 108 HE1 PHE 30 1HE PHE 30 -2.551 4.370 -8.393 109 HE2 PHE 30 2HE PHE 30 -6.118 2.038 -8.434 110 HZ PHE 30 HZ PHE 30 -4.291 3.155 -9.647 111 H LEU 31 H LEU 31 -4.257 4.424 -1.418 112 HA LEU 31 HA LEU 31 -6.438 3.179 -0.209 113 HB2 LEU 31 2HB LEU 31 -4.329 4.928 1.055 114 HB3 LEU 31 1HB LEU 31 -5.472 3.959 1.956 115 HG LEU 31 HG LEU 31 -3.310 2.925 0.124 116 HD11 LEU 31 1HD1 LEU 31 -3.608 2.836 3.117 117 HD12 LEU 31 2HD1 LEU 31 -2.437 3.791 2.205 118 HD13 LEU 31 3HD1 LEU 31 -2.346 2.029 2.188 119 HD21 LEU 31 3HD2 LEU 31 -3.959 0.703 0.968 120 HD22 LEU 31 1HD2 LEU 31 -5.251 1.458 0.034 121 HD23 LEU 31 2HD2 LEU 31 -5.332 1.433 1.795 122 H LEU 32 H LEU 32 -5.624 6.626 -0.357 123 HA LEU 32 HA LEU 32 -7.877 7.280 1.160 124 HB2 LEU 32 2HB LEU 32 -7.493 9.647 0.594 125 HB3 LEU 32 1HB LEU 32 -6.036 8.852 1.126 126 HG LEU 32 HG LEU 32 -5.543 8.645 -1.424 127 HD11 LEU 32 1HD1 LEU 32 -6.394 10.500 -2.765 128 HD12 LEU 32 2HD1 LEU 32 -7.469 10.960 -1.446 129 HD13 LEU 32 3HD1 LEU 32 -7.683 9.409 -2.257 130 HD21 LEU 32 3HD2 LEU 32 -5.348 11.258 0.058 131 HD22 LEU 32 1HD2 LEU 32 -4.420 10.834 -1.379 132 HD23 LEU 32 2HD2 LEU 32 -4.193 9.927 0.115 133 H HIS 33 H HIS 33 -7.429 6.920 -2.285 134 HA HIS 33 HA HIS 33 -9.969 7.984 -2.940 135 HB2 HIS 33 2HB HIS 33 -8.148 7.657 -4.666 136 HB3 HIS 33 1HB HIS 33 -8.436 5.920 -4.566 137 HD1 HIS 33 1HD HIS 33 -9.776 9.026 -6.066 138 HD2 HIS 33 2HD HIS 33 -10.970 5.090 -5.624 139 HE1 HIS 33 1HE HIS 33 -11.831 8.777 -7.497 140 HE2 HIS 33 2HE HIS 33 -12.727 6.568 -6.694 141 H ILE 34 H ILE 34 -8.836 4.706 -2.268 142 HA ILE 34 HA ILE 34 -11.288 3.448 -2.738 143 HB ILE 34 HB ILE 34 -8.870 2.607 -1.124 144 HG12 ILE 34 2HG1 ILE 34 -9.924 1.752 -3.834 145 HG13 ILE 34 1HG1 ILE 34 -8.581 2.847 -3.548 146 HG21 ILE 34 1HG2 ILE 34 -11.282 0.896 -1.777 147 HG22 ILE 34 2HG2 ILE 34 -10.795 1.435 -0.173 148 HG23 ILE 34 3HG2 ILE 34 -9.771 0.319 -1.073 149 HD11 ILE 34 3HD1 ILE 34 -7.777 0.668 -4.168 150 HD12 ILE 34 1HD1 ILE 34 -8.708 -0.069 -2.864 151 HD13 ILE 34 2HD1 ILE 34 -7.352 0.999 -2.487 152 H THR 35 H THR 35 -9.981 4.916 0.175 153 HA THR 35 HA THR 35 -12.051 4.106 1.915 154 HB THR 35 HB THR 35 -10.566 6.713 1.981 155 HG1 THR 35 1HG THR 35 -9.009 5.045 1.901 156 HG21 THR 35 3HG2 THR 35 -11.765 5.034 4.189 157 HG22 THR 35 1HG2 THR 35 -12.381 6.578 3.597 158 HG23 THR 35 2HG2 THR 35 -10.833 6.510 4.441 159 H HIS 36 H HIS 36 -11.689 6.865 -0.264 160 HA HIS 36 HA HIS 36 -14.187 8.047 0.346 161 HB2 HIS 36 2HB HIS 36 -12.369 8.376 -2.048 162 HB3 HIS 36 1HB HIS 36 -13.887 9.248 -1.876 163 HD1 HIS 36 1HD HIS 36 -10.749 10.313 -1.772 164 HD2 HIS 36 2HD HIS 36 -13.550 10.089 1.272 165 HE1 HIS 36 1HE HIS 36 -10.068 12.056 -0.106 166 HE2 HIS 36 2HE HIS 36 -12.072 12.148 1.435 167 H GLU 37 H GLU 37 -13.200 5.581 -1.893 168 HA GLU 37 HA GLU 37 -15.649 5.288 -3.230 169 HB2 GLU 37 2HB GLU 37 -13.540 3.218 -2.635 170 HB3 GLU 37 1HB GLU 37 -14.888 2.969 -3.728 171 HG2 GLU 37 2HG GLU 37 -12.720 5.019 -4.057 172 HG3 GLU 37 1HG GLU 37 -12.808 3.472 -4.893 173 H VAL 38 H VAL 38 -14.546 4.099 -0.098 174 HA VAL 38 HA VAL 38 -16.732 2.459 0.376 175 HB VAL 38 HB VAL 38 -15.070 3.957 2.453 176 HG11 VAL 38 1HG1 VAL 38 -16.714 1.409 2.635 177 HG12 VAL 38 2HG1 VAL 38 -17.201 2.960 3.318 178 HG13 VAL 38 3HG1 VAL 38 -15.789 2.107 3.962 179 HG21 VAL 38 3HG2 VAL 38 -13.636 2.604 1.017 180 HG22 VAL 38 1HG2 VAL 38 -14.659 1.193 1.307 181 HG23 VAL 38 2HG2 VAL 38 -13.750 1.909 2.636 182 H ASP 39 H ASP 39 -16.113 5.870 0.831 183 HA ASP 39 HA ASP 39 -18.611 6.386 1.975 184 HB2 ASP 39 2HB ASP 39 -16.735 8.247 0.505 185 HB3 ASP 39 1HB ASP 39 -18.250 8.805 1.202 186 H ASP 40 H ASP 40 -17.468 6.166 -1.312 187 HA ASP 40 HA ASP 40 -19.655 7.156 -2.707 188 HB2 ASP 40 2HB ASP 40 -17.374 6.574 -3.656 189 HB3 ASP 40 1HB ASP 40 -17.846 4.885 -3.571 190 H LEU 41 H LEU 41 -18.873 3.994 -1.405 191 HA LEU 41 HA LEU 41 -21.174 2.799 -2.508 192 HB2 LEU 41 2HB LEU 41 -20.693 0.847 -1.099 193 HB3 LEU 41 1HB LEU 41 -19.347 1.320 -2.131 194 HG LEU 41 HG LEU 41 -18.700 2.482 0.196 195 HD11 LEU 41 1HD1 LEU 41 -20.597 1.657 1.424 196 HD12 LEU 41 2HD1 LEU 41 -19.132 0.842 1.995 197 HD13 LEU 41 3HD1 LEU 41 -20.241 0.008 0.913 198 HD21 LEU 41 3HD2 LEU 41 -17.240 1.124 -1.129 199 HD22 LEU 41 1HD2 LEU 41 -18.157 -0.322 -0.723 200 HD23 LEU 41 2HD2 LEU 41 -17.243 0.501 0.526 201 H GLU 42 H GLU 42 -20.474 4.331 0.467 202 HA GLU 42 HA GLU 42 -22.863 3.647 1.684 203 HB2 GLU 42 2HB GLU 42 -21.014 4.592 2.934 204 HB3 GLU 42 1HB GLU 42 -21.130 6.094 2.038 205 HG2 GLU 42 2HG GLU 42 -22.027 6.241 4.305 206 HG3 GLU 42 1HG GLU 42 -23.220 6.599 3.048 207 H LYS 43 H LYS 43 -22.194 5.913 -0.911 208 HA LYS 43 HA LYS 43 -24.941 6.848 -0.637 209 HB2 LYS 43 2HB LYS 43 -24.365 8.780 -2.119 210 HB3 LYS 43 1HB LYS 43 -23.456 8.735 -0.629 211 HG2 LYS 43 2HG LYS 43 -21.841 9.358 -2.147 212 HG3 LYS 43 1HG LYS 43 -21.622 7.611 -2.108 213 HD2 LYS 43 2HD LYS 43 -23.011 7.417 -4.136 214 HD3 LYS 43 1HD LYS 43 -23.172 9.173 -4.181 215 HE2 LYS 43 2HE LYS 43 -20.612 7.582 -4.474 216 HE3 LYS 43 1HE LYS 43 -21.468 8.440 -5.741 217 HZ1 LYS 43 3HZ LYS 43 -19.576 9.694 -4.988 218 HZ2 LYS 43 1HZ LYS 43 -20.125 9.739 -3.400 219 HZ3 LYS 43 2HZ LYS 43 -20.971 10.535 -4.607 220 H THR 44 H THR 44 -23.238 4.638 -2.384 221 HA THR 44 HA THR 44 -24.909 4.802 -4.750 222 HB THR 44 HB THR 44 -22.193 3.735 -4.090 223 HG1 THR 44 1HG THR 44 -21.447 5.279 -5.272 224 HG21 THR 44 3HG2 THR 44 -23.637 3.372 -6.692 225 HG22 THR 44 1HG2 THR 44 -23.225 2.119 -5.489 226 HG23 THR 44 2HG2 THR 44 -21.929 3.008 -6.302 227 H GLY 45 H GLY 45 -23.688 2.688 -2.205 228 HA2 GLY 45 2HA GLY 45 -25.202 0.963 -1.385 229 HA3 GLY 45 1HA GLY 45 -25.482 0.572 -3.090 230 H ASN 46 H ASN 46 -23.789 -0.099 -4.330 231 HA ASN 46 HA ASN 46 -22.084 -1.600 -4.885 232 HB2 ASN 46 2HB ASN 46 -20.830 0.115 -2.809 233 HB3 ASN 46 1HB ASN 46 -19.884 -1.060 -3.689 234 HD21 ASN 46 1HD2 ASN 46 -21.483 -0.455 -6.218 235 HD22 ASN 46 2HD2 ASN 46 -20.887 1.054 -6.747 236 H LYS 47 H LYS 47 -23.876 -2.869 -3.468 237 HA LYS 47 HA LYS 47 -22.988 -3.883 -1.057 238 HB2 LYS 47 2HB LYS 47 -25.350 -3.994 -1.874 239 HB3 LYS 47 1HB LYS 47 -24.866 -5.287 -2.958 240 HG2 LYS 47 2HG LYS 47 -24.245 -6.670 -1.060 241 HG3 LYS 47 1HG LYS 47 -24.684 -5.372 0.045 242 HD2 LYS 47 2HD LYS 47 -27.004 -5.483 -0.824 243 HD3 LYS 47 1HD LYS 47 -26.525 -6.863 -1.816 244 HE2 LYS 47 2HE LYS 47 -25.854 -8.064 0.225 245 HE3 LYS 47 1HE LYS 47 -26.412 -6.701 1.193 246 HZ1 LYS 47 3HZ LYS 47 -28.082 -8.422 -0.560 247 HZ2 LYS 47 1HZ LYS 47 -28.659 -7.091 0.297 248 HZ3 LYS 47 2HZ LYS 47 -28.066 -8.429 1.110 249 H ASP 48 H ASP 48 -22.489 -4.975 -4.337 250 HA ASP 48 HA ASP 48 -20.759 -7.145 -3.346 251 HB2 ASP 48 2HB ASP 48 -20.910 -8.225 -5.492 252 HB3 ASP 48 1HB ASP 48 -22.544 -7.798 -5.009 253 H GLU 49 H GLU 49 -20.849 -4.199 -5.069 254 HA GLU 49 HA GLU 49 -18.291 -4.227 -6.379 255 HB2 GLU 49 2HB GLU 49 -20.371 -2.787 -6.784 256 HB3 GLU 49 1HB GLU 49 -19.838 -1.853 -5.404 257 HG2 GLU 49 2HG GLU 49 -19.025 -0.713 -7.216 258 HG3 GLU 49 1HG GLU 49 -17.635 -1.662 -6.658 259 H LYS 50 H LYS 50 -19.352 -3.231 -3.193 260 HA LYS 50 HA LYS 50 -17.013 -1.997 -2.373 261 HB2 LYS 50 2HB LYS 50 -18.998 -2.052 -1.010 262 HB3 LYS 50 1HB LYS 50 -18.891 -3.785 -0.878 263 HG2 LYS 50 2HG LYS 50 -17.070 -3.724 0.543 264 HG3 LYS 50 1HG LYS 50 -16.689 -2.049 0.132 265 HD2 LYS 50 2HD LYS 50 -17.657 -2.079 2.280 266 HD3 LYS 50 1HD LYS 50 -18.752 -1.360 1.102 267 HE2 LYS 50 2HE LYS 50 -19.986 -2.831 2.670 268 HE3 LYS 50 1HE LYS 50 -20.066 -3.422 1.011 269 HZ1 LYS 50 3HZ LYS 50 -19.635 -5.156 2.649 270 HZ2 LYS 50 1HZ LYS 50 -18.178 -4.445 3.076 271 HZ3 LYS 50 2HZ LYS 50 -18.421 -5.081 1.526 272 H ALA 51 H ALA 51 -17.822 -5.334 -1.973 273 HA ALA 51 HA ALA 51 -15.319 -6.355 -1.224 274 HB1 ALA 51 1HB ALA 51 -17.318 -7.800 -2.955 275 HB2 ALA 51 2HB ALA 51 -17.328 -7.728 -1.188 276 HB3 ALA 51 3HB ALA 51 -16.015 -8.547 -2.030 277 H ARG 52 H ARG 52 -16.475 -5.772 -4.502 278 HA ARG 52 HA ARG 52 -14.157 -6.808 -5.806 279 HB2 ARG 52 2HB ARG 52 -16.276 -6.472 -7.027 280 HB3 ARG 52 1HB ARG 52 -16.136 -4.739 -6.795 281 HG2 ARG 52 2HG ARG 52 -14.174 -4.666 -8.216 282 HG3 ARG 52 1HG ARG 52 -14.195 -6.422 -8.375 283 HD2 ARG 52 2HD ARG 52 -16.429 -4.596 -9.259 284 HD3 ARG 52 1HD ARG 52 -15.181 -5.225 -10.329 285 HE ARG 52 HE ARG 52 -16.029 -7.394 -10.009 286 HH11 ARG 52 1HH1 ARG 52 -18.158 -4.860 -8.710 287 HH12 ARG 52 2HH1 ARG 52 -19.536 -5.882 -8.599 288 HH21 ARG 52 1HH2 ARG 52 -17.948 -8.733 -9.997 289 HH22 ARG 52 2HH2 ARG 52 -19.430 -8.101 -9.434 290 H LEU 53 H LEU 53 -15.087 -3.565 -4.717 291 HA LEU 53 HA LEU 53 -12.834 -2.163 -5.445 292 HB2 LEU 53 2HB LEU 53 -14.762 -1.059 -4.642 293 HB3 LEU 53 1HB LEU 53 -14.777 -2.006 -3.167 294 HG LEU 53 HG LEU 53 -12.685 -1.044 -2.625 295 HD11 LEU 53 1HD1 LEU 53 -13.354 0.903 -4.858 296 HD12 LEU 53 2HD1 LEU 53 -11.918 -0.113 -4.730 297 HD13 LEU 53 3HD1 LEU 53 -12.138 1.251 -3.635 298 HD21 LEU 53 3HD2 LEU 53 -13.664 1.090 -1.732 299 HD22 LEU 53 1HD2 LEU 53 -14.650 -0.348 -1.473 300 HD23 LEU 53 2HD2 LEU 53 -15.066 0.789 -2.756 301 H LEU 54 H LEU 54 -13.455 -4.233 -2.668 302 HA LEU 54 HA LEU 54 -11.041 -3.736 -1.349 303 HB2 LEU 54 2HB LEU 54 -12.825 -6.161 -1.217 304 HB3 LEU 54 1HB LEU 54 -11.478 -5.870 -0.129 305 HG LEU 54 HG LEU 54 -13.911 -4.107 -0.398 306 HD11 LEU 54 1HD1 LEU 54 -13.072 -5.966 1.801 307 HD12 LEU 54 2HD1 LEU 54 -14.422 -6.212 0.699 308 HD13 LEU 54 3HD1 LEU 54 -14.449 -4.872 1.846 309 HD21 LEU 54 3HD2 LEU 54 -11.562 -3.949 1.479 310 HD22 LEU 54 1HD2 LEU 54 -13.012 -2.952 1.542 311 HD23 LEU 54 2HD2 LEU 54 -11.931 -2.821 0.167 312 H ARG 55 H ARG 55 -11.862 -5.867 -3.912 313 HA ARG 55 HA ARG 55 -9.366 -7.286 -3.895 314 HB2 ARG 55 2HB ARG 55 -11.344 -6.919 -6.153 315 HB3 ARG 55 1HB ARG 55 -9.943 -7.974 -6.220 316 HG2 ARG 55 2HG ARG 55 -12.337 -8.249 -4.410 317 HG3 ARG 55 1HG ARG 55 -11.916 -9.280 -5.777 318 HD2 ARG 55 2HD ARG 55 -10.385 -8.984 -3.189 319 HD3 ARG 55 1HD ARG 55 -11.307 -10.386 -3.710 320 HE ARG 55 HE ARG 55 -9.440 -9.962 -5.676 321 HH11 ARG 55 1HH1 ARG 55 -9.324 -10.670 -2.220 322 HH12 ARG 55 2HH1 ARG 55 -7.844 -11.501 -2.279 323 HH21 ARG 55 1HH2 ARG 55 -7.363 -11.017 -5.766 324 HH22 ARG 55 2HH2 ARG 55 -6.657 -11.653 -4.359 325 H GLU 56 H GLU 56 -10.489 -4.306 -5.194 326 HA GLU 56 HA GLU 56 -8.255 -3.834 -6.832 327 HB2 GLU 56 2HB GLU 56 -10.377 -2.667 -7.157 328 HB3 GLU 56 1HB GLU 56 -10.201 -1.888 -5.593 329 HG2 GLU 56 2HG GLU 56 -8.335 -0.659 -6.327 330 HG3 GLU 56 1HG GLU 56 -8.266 -1.569 -7.840 331 H LEU 57 H LEU 57 -8.900 -3.235 -3.393 332 HA LEU 57 HA LEU 57 -6.423 -1.881 -3.192 333 HB2 LEU 57 2HB LEU 57 -6.579 -1.982 -0.724 334 HB3 LEU 57 1HB LEU 57 -8.000 -1.301 -1.447 335 HG LEU 57 HG LEU 57 -9.089 -3.581 -1.051 336 HD11 LEU 57 1HD1 LEU 57 -6.707 -3.874 0.753 337 HD12 LEU 57 2HD1 LEU 57 -7.083 -4.879 -0.650 338 HD13 LEU 57 3HD1 LEU 57 -8.143 -4.892 0.764 339 HD21 LEU 57 3HD2 LEU 57 -9.624 -1.608 0.229 340 HD22 LEU 57 1HD2 LEU 57 -8.222 -1.875 1.265 341 HD23 LEU 57 2HD2 LEU 57 -9.558 -3.021 1.279 342 H THR 58 H THR 58 -7.359 -5.152 -3.060 343 HA THR 58 HA THR 58 -5.005 -6.239 -2.189 344 HB THR 58 HB THR 58 -6.860 -7.387 -4.294 345 HG1 THR 58 1HG THR 58 -6.905 -7.365 -1.465 346 HG21 THR 58 3HG2 THR 58 -5.027 -8.738 -2.297 347 HG22 THR 58 1HG2 THR 58 -4.736 -8.609 -4.030 348 HG23 THR 58 2HG2 THR 58 -6.103 -9.552 -3.434 349 H VAL 59 H VAL 59 -5.885 -5.002 -5.397 350 HA VAL 59 HA VAL 59 -3.407 -5.923 -6.469 351 HB VAL 59 HB VAL 59 -5.352 -5.461 -8.019 352 HG11 VAL 59 1HG1 VAL 59 -5.716 -3.232 -8.910 353 HG12 VAL 59 2HG1 VAL 59 -4.606 -2.577 -7.703 354 HG13 VAL 59 3HG1 VAL 59 -6.111 -3.333 -7.193 355 HG21 VAL 59 3HG2 VAL 59 -2.765 -4.119 -8.715 356 HG22 VAL 59 1HG2 VAL 59 -3.999 -4.605 -9.878 357 HG23 VAL 59 2HG2 VAL 59 -3.159 -5.829 -8.923 358 H SER 60 H SER 60 -4.398 -2.802 -5.064 359 HA SER 60 HA SER 60 -1.906 -1.579 -5.480 360 HB2 SER 60 2HB SER 60 -2.584 -0.071 -3.505 361 HB3 SER 60 1HB SER 60 -3.677 -0.098 -4.882 362 HG SER 60 HG SER 60 -4.137 -1.900 -2.756 363 H GLU 61 H GLU 61 -2.946 -3.790 -3.424 364 HA GLU 61 HA GLU 61 -1.014 -3.772 -1.284 365 HB2 GLU 61 2HB GLU 61 -3.215 -4.964 -1.216 366 HB3 GLU 61 1HB GLU 61 -2.593 -6.100 -2.396 367 HG2 GLU 61 2HG GLU 61 -0.748 -6.521 -0.690 368 HG3 GLU 61 1HG GLU 61 -1.851 -5.700 0.424 369 H ALA 62 H ALA 62 -1.353 -5.403 -4.365 370 HA ALA 62 HA ALA 62 0.997 -6.942 -4.250 371 HB1 ALA 62 1HB ALA 62 -0.473 -5.968 -6.698 372 HB2 ALA 62 2HB ALA 62 -0.835 -7.444 -5.802 373 HB3 ALA 62 3HB ALA 62 0.707 -7.279 -6.643 374 H PHE 63 H PHE 63 0.359 -3.673 -5.435 375 HA PHE 63 HA PHE 63 2.916 -3.265 -6.608 376 HB2 PHE 63 2HB PHE 63 1.545 -0.998 -5.169 377 HB3 PHE 63 1HB PHE 63 2.550 -0.907 -6.607 378 HD1 PHE 63 2HD PHE 63 1.067 -3.163 -8.109 379 HD2 PHE 63 1HD PHE 63 -0.229 0.233 -5.924 380 HE1 PHE 63 2HE PHE 63 -1.056 -3.193 -9.320 381 HE2 PHE 63 1HE PHE 63 -2.355 0.204 -7.121 382 HZ PHE 63 HZ PHE 63 -2.803 -1.529 -8.735 383 H ILE 64 H ILE 64 1.780 -2.738 -3.298 384 HA ILE 64 HA ILE 64 4.185 -1.803 -2.189 385 HB ILE 64 HB ILE 64 1.881 -3.321 -0.971 386 HG12 ILE 64 2HG1 ILE 64 1.675 -0.873 -1.346 387 HG13 ILE 64 1HG1 ILE 64 1.553 -1.323 0.354 388 HG21 ILE 64 1HG2 ILE 64 3.781 -4.253 0.206 389 HG22 ILE 64 2HG2 ILE 64 2.881 -3.181 1.279 390 HG23 ILE 64 3HG2 ILE 64 4.393 -2.636 0.556 391 HD11 ILE 64 3HD1 ILE 64 3.862 -0.616 0.722 392 HD12 ILE 64 1HD1 ILE 64 2.888 0.694 0.085 393 HD13 ILE 64 2HD1 ILE 64 4.005 -0.156 -0.965 394 H GLU 65 H GLU 65 3.045 -5.120 -2.578 395 HA GLU 65 HA GLU 65 5.226 -6.243 -1.258 396 HB2 GLU 65 2HB GLU 65 2.989 -7.284 -1.626 397 HB3 GLU 65 1HB GLU 65 3.467 -7.585 -3.294 398 HG2 GLU 65 2HG GLU 65 3.803 -9.535 -1.945 399 HG3 GLU 65 1HG GLU 65 5.348 -8.871 -2.519 400 H GLY 66 H GLY 66 4.612 -5.663 -4.697 401 HA2 GLY 66 2HA GLY 66 6.949 -6.902 -5.684 402 HA3 GLY 66 1HA GLY 66 6.068 -5.606 -6.491 403 H SER 67 H SER 67 6.313 -3.682 -4.472 404 HA SER 67 HA SER 67 8.842 -2.617 -5.121 405 HB2 SER 67 2HB SER 67 6.788 -1.697 -3.115 406 HB3 SER 67 1HB SER 67 8.167 -0.746 -3.672 407 HG SER 67 HG SER 67 5.880 -1.589 -5.087 408 H ARG 68 H ARG 68 7.525 -4.351 -2.373 409 HA ARG 68 HA ARG 68 9.760 -3.801 -0.786 410 HB2 ARG 68 2HB ARG 68 7.797 -6.099 -0.460 411 HB3 ARG 68 1HB ARG 68 9.058 -5.722 0.702 412 HG2 ARG 68 2HG ARG 68 7.987 -3.423 0.885 413 HG3 ARG 68 1HG ARG 68 6.626 -4.113 0.007 414 HD2 ARG 68 2HD ARG 68 7.725 -5.172 2.614 415 HD3 ARG 68 1HD ARG 68 6.338 -4.110 2.472 416 HE ARG 68 HE ARG 68 6.080 -6.595 0.995 417 HH11 ARG 68 1HH1 ARG 68 5.736 -5.102 4.194 418 HH12 ARG 68 2HH1 ARG 68 4.527 -6.106 4.753 419 HH21 ARG 68 1HH2 ARG 68 4.375 -8.039 1.713 420 HH22 ARG 68 2HH2 ARG 68 3.678 -7.845 3.247 421 H GLY 69 H GLY 69 9.030 -6.316 -3.003 422 HA2 GLY 69 2HA GLY 69 11.395 -7.801 -2.597 423 HA3 GLY 69 1HA GLY 69 10.438 -7.783 -4.075 424 H TYR 70 H TYR 70 10.701 -4.834 -4.193 425 HA TYR 70 HA TYR 70 12.921 -4.757 -6.001 426 HB2 TYR 70 2HB TYR 70 10.974 -3.284 -6.319 427 HB3 TYR 70 1HB TYR 70 11.282 -2.510 -4.779 428 HD1 TYR 70 1HD TYR 70 13.150 -0.829 -4.564 429 HD2 TYR 70 2HD TYR 70 12.245 -2.732 -8.289 430 HE1 TYR 70 1HE TYR 70 14.428 0.864 -5.735 431 HE2 TYR 70 2HE TYR 70 13.557 -1.017 -9.461 432 HH TYR 70 HH TYR 70 14.334 1.198 -9.134 433 H PHE 71 H PHE 71 12.301 -3.497 -2.815 434 HA PHE 71 HA PHE 71 14.815 -2.377 -2.542 435 HB2 PHE 71 2HB PHE 71 12.819 -3.113 -0.415 436 HB3 PHE 71 1HB PHE 71 14.305 -2.227 -0.082 437 HD1 PHE 71 2HD PHE 71 14.639 -0.233 -1.949 438 HD2 PHE 71 1HD PHE 71 10.939 -1.776 -0.535 439 HE1 PHE 71 2HE PHE 71 13.529 1.853 -2.603 440 HE2 PHE 71 1HE PHE 71 9.820 0.314 -1.190 441 HZ PHE 71 HZ PHE 71 11.113 2.131 -2.226 442 H GLN 72 H GLN 72 13.583 -5.536 -1.673 443 HA GLN 72 HA GLN 72 15.795 -6.570 -0.334 444 HB2 GLN 72 2HB GLN 72 13.976 -7.998 -2.285 445 HB3 GLN 72 1HB GLN 72 15.091 -8.798 -1.193 446 HG2 GLN 72 2HG GLN 72 12.782 -7.071 -0.324 447 HG3 GLN 72 1HG GLN 72 12.735 -8.826 -0.447 448 HE21 GLN 72 1HE2 GLN 72 12.290 -9.092 1.684 449 HE22 GLN 72 2HE2 GLN 72 13.418 -8.825 2.957 450 H ARG 73 H ARG 73 15.207 -6.265 -3.802 451 HA ARG 73 HA ARG 73 17.635 -7.517 -4.634 452 HB2 ARG 73 2HB ARG 73 15.668 -5.734 -6.049 453 HB3 ARG 73 1HB ARG 73 17.213 -6.102 -6.791 454 HG2 ARG 73 2HG ARG 73 15.431 -7.503 -7.615 455 HG3 ARG 73 1HG ARG 73 16.664 -8.477 -6.782 456 HD2 ARG 73 2HD ARG 73 15.182 -8.472 -4.812 457 HD3 ARG 73 1HD ARG 73 13.988 -7.584 -5.741 458 HE ARG 73 HE ARG 73 14.881 -10.322 -6.270 459 HH11 ARG 73 1HH1 ARG 73 12.495 -7.774 -6.712 460 HH12 ARG 73 2HH1 ARG 73 11.234 -8.807 -7.174 461 HH21 ARG 73 1HH2 ARG 73 13.175 -11.758 -6.901 462 HH22 ARG 73 2HH2 ARG 73 11.630 -11.138 -7.318 463 H GLU 74 H GLU 74 16.727 -4.241 -3.917 464 HA GLU 74 HA GLU 74 19.100 -3.042 -4.776 465 HB2 GLU 74 2HB GLU 74 17.126 -2.086 -2.714 466 HB3 GLU 74 1HB GLU 74 18.453 -1.109 -3.330 467 HG2 GLU 74 2HG GLU 74 16.204 -2.256 -4.969 468 HG3 GLU 74 1HG GLU 74 16.351 -0.579 -4.447 469 H LEU 75 H LEU 75 18.350 -4.612 -1.744 470 HA LEU 75 HA LEU 75 20.768 -3.791 -0.496 471 HB2 LEU 75 2HB LEU 75 18.802 -5.964 0.092 472 HB3 LEU 75 1HB LEU 75 20.373 -6.039 0.854 473 HG LEU 75 HG LEU 75 19.936 -3.797 1.867 474 HD11 LEU 75 1HD1 LEU 75 17.687 -2.909 1.930 475 HD12 LEU 75 2HD1 LEU 75 17.156 -4.152 0.795 476 HD13 LEU 75 3HD1 LEU 75 18.321 -2.932 0.283 477 HD21 LEU 75 3HD2 LEU 75 18.368 -4.591 3.556 478 HD22 LEU 75 1HD2 LEU 75 19.554 -5.827 3.134 479 HD23 LEU 75 2HD2 LEU 75 17.910 -5.931 2.505 480 H LYS 76 H LYS 76 20.185 -5.910 -3.010 481 HA LYS 76 HA LYS 76 22.686 -7.381 -2.603 482 HB2 LYS 76 2HB LYS 76 20.466 -7.811 -4.612 483 HB3 LYS 76 1HB LYS 76 21.879 -8.837 -4.413 484 HG2 LYS 76 2HG LYS 76 21.140 -9.515 -2.226 485 HG3 LYS 76 1HG LYS 76 19.796 -8.374 -2.286 486 HD2 LYS 76 2HD LYS 76 18.877 -9.581 -4.216 487 HD3 LYS 76 1HD LYS 76 20.207 -10.729 -4.131 488 HE2 LYS 76 2HE LYS 76 18.199 -10.258 -1.921 489 HE3 LYS 76 1HE LYS 76 18.107 -11.568 -3.094 490 HZ1 LYS 76 3HZ LYS 76 19.058 -12.323 -1.056 491 HZ2 LYS 76 1HZ LYS 76 20.273 -11.150 -1.122 492 HZ3 LYS 76 2HZ LYS 76 20.225 -12.375 -2.276 493 H ARG 77 H ARG 77 21.538 -4.665 -4.005 494 HA ARG 77 HA ARG 77 22.536 -4.603 -6.649 495 HB2 ARG 77 2HB ARG 77 20.820 -3.065 -5.739 496 HB3 ARG 77 1HB ARG 77 22.081 -2.344 -4.732 497 HG2 ARG 77 2HG ARG 77 23.224 -1.526 -6.671 498 HG3 ARG 77 1HG ARG 77 22.041 -2.302 -7.725 499 HD2 ARG 77 2HD ARG 77 20.280 -0.906 -6.896 500 HD3 ARG 77 1HD ARG 77 21.327 -0.247 -5.643 501 HE ARG 77 HE ARG 77 22.558 0.330 -8.015 502 HH11 ARG 77 1HH1 ARG 77 19.291 0.977 -6.777 503 HH12 ARG 77 2HH1 ARG 77 19.237 2.565 -7.371 504 HH21 ARG 77 1HH2 ARG 77 22.476 2.584 -8.794 505 HH22 ARG 77 2HH2 ARG 77 21.085 3.507 -8.484 506 H THR 78 H THR 78 23.962 -3.906 -3.562 507 HA THR 78 HA THR 78 26.045 -3.497 -2.856 508 HB THR 78 HB THR 78 26.972 -3.662 -5.757 509 HG1 THR 78 1HG THR 78 26.877 -5.640 -3.720 510 HG21 THR 78 3HG2 THR 78 28.633 -2.612 -4.243 511 HG22 THR 78 1HG2 THR 78 29.179 -4.194 -4.797 512 HG23 THR 78 2HG2 THR 78 28.526 -4.007 -3.170 513 H ASP 79 H ASP 79 24.677 -1.600 -5.405 514 HA ASP 79 HA ASP 79 26.221 0.759 -4.763 515 HB2 ASP 79 2HB ASP 79 23.700 0.543 -6.448 516 HB3 ASP 79 1HB ASP 79 24.667 1.985 -6.262 517 H LEU 80 H LEU 80 25.444 0.074 -2.474 518 HA LEU 80 HA LEU 80 23.770 2.261 -1.517 519 HB2 LEU 80 2HB LEU 80 22.188 0.979 -0.359 520 HB3 LEU 80 1HB LEU 80 22.207 0.218 -1.935 521 HG LEU 80 HG LEU 80 23.724 -0.816 0.445 522 HD11 LEU 80 1HD1 LEU 80 21.929 -2.452 0.728 523 HD12 LEU 80 2HD1 LEU 80 21.042 -1.711 -0.601 524 HD13 LEU 80 3HD1 LEU 80 21.302 -0.811 0.894 525 HD21 LEU 80 3HD2 LEU 80 23.772 -2.941 -0.800 526 HD22 LEU 80 1HD2 LEU 80 24.559 -1.642 -1.696 527 HD23 LEU 80 2HD2 LEU 80 22.933 -2.166 -2.143 528 H ASP 81 H ASP 81 24.179 2.711 0.430 529 HA ASP 81 HA ASP 81 26.125 1.130 1.915 530 HB2 ASP 81 2HB ASP 81 27.206 3.243 0.939 531 HB3 ASP 81 1HB ASP 81 26.036 4.187 1.850 532 H LEU 82 H LEU 82 25.839 2.701 4.282 533 HA LEU 82 HA LEU 82 23.474 1.553 5.258 534 HB2 LEU 82 2HB LEU 82 25.059 3.825 6.451 535 HB3 LEU 82 1HB LEU 82 23.881 2.851 7.291 536 HG LEU 82 HG LEU 82 26.498 1.826 6.194 537 HD11 LEU 82 1HD1 LEU 82 27.172 1.683 8.537 538 HD12 LEU 82 2HD1 LEU 82 25.653 2.440 9.022 539 HD13 LEU 82 3HD1 LEU 82 26.827 3.346 8.066 540 HD21 LEU 82 3HD2 LEU 82 25.967 -0.179 7.512 541 HD22 LEU 82 1HD2 LEU 82 24.778 0.106 6.240 542 HD23 LEU 82 2HD2 LEU 82 24.394 0.513 7.912 543 H LEU 83 H LEU 83 24.096 4.647 3.903 544 HA LEU 83 HA LEU 83 21.839 6.118 4.799 545 HB2 LEU 83 2HB LEU 83 23.282 6.107 2.225 546 HB3 LEU 83 1HB LEU 83 22.199 7.374 2.746 547 HG LEU 83 HG LEU 83 24.803 6.645 4.076 548 HD11 LEU 83 1HD1 LEU 83 25.018 7.530 1.909 549 HD12 LEU 83 2HD1 LEU 83 25.489 8.792 3.093 550 HD13 LEU 83 3HD1 LEU 83 23.893 8.828 2.285 551 HD21 LEU 83 3HD2 LEU 83 23.161 7.571 5.648 552 HD22 LEU 83 1HD2 LEU 83 22.872 8.920 4.550 553 HD23 LEU 83 2HD2 LEU 83 24.446 8.733 5.315 554 H GLU 84 H GLU 84 22.448 4.316 1.871 555 HA GLU 84 HA GLU 84 19.885 4.907 0.850 556 HB2 GLU 84 2HB GLU 84 21.960 2.964 -0.167 557 HB3 GLU 84 1HB GLU 84 20.557 3.546 -1.079 558 HG2 GLU 84 2HG GLU 84 21.422 5.865 -0.774 559 HG3 GLU 84 1HG GLU 84 22.870 5.180 -0.059 560 H LYS 85 H LYS 85 21.412 2.192 2.395 561 HA LYS 85 HA LYS 85 19.268 0.427 2.184 562 HB2 LYS 85 2HB LYS 85 21.692 -0.116 2.832 563 HB3 LYS 85 1HB LYS 85 21.311 0.511 4.419 564 HG2 LYS 85 2HG LYS 85 19.717 -1.729 3.210 565 HG3 LYS 85 1HG LYS 85 21.230 -2.047 4.044 566 HD2 LYS 85 2HD LYS 85 18.886 -0.598 5.285 567 HD3 LYS 85 1HD LYS 85 19.138 -2.340 5.411 568 HE2 LYS 85 2HE LYS 85 21.102 -0.240 6.364 569 HE3 LYS 85 1HE LYS 85 19.938 -1.072 7.389 570 HZ1 LYS 85 3HZ LYS 85 21.017 -3.178 6.824 571 HZ2 LYS 85 1HZ LYS 85 22.111 -2.125 7.527 572 HZ3 LYS 85 2HZ LYS 85 22.159 -2.379 5.883 573 H PHE 86 H PHE 86 20.071 3.054 4.415 574 HA PHE 86 HA PHE 86 18.184 2.366 6.337 575 HB2 PHE 86 2HB PHE 86 20.015 3.921 6.811 576 HB3 PHE 86 1HB PHE 86 19.361 5.076 5.664 577 HD1 PHE 86 2HD PHE 86 18.748 3.422 8.909 578 HD2 PHE 86 1HD PHE 86 17.743 6.658 6.332 579 HE1 PHE 86 2HE PHE 86 17.499 4.486 10.738 580 HE2 PHE 86 1HE PHE 86 16.493 7.727 8.158 581 HZ PHE 86 HZ PHE 86 16.372 6.645 10.363 582 H ASN 87 H ASN 87 18.026 4.106 3.390 583 HA ASN 87 HA ASN 87 15.480 5.280 3.770 584 HB2 ASN 87 2HB ASN 87 17.171 6.364 2.373 585 HB3 ASN 87 1HB ASN 87 17.156 4.991 1.273 586 HD21 ASN 87 1HD2 ASN 87 15.304 7.651 2.514 587 HD22 ASN 87 2HD2 ASN 87 14.210 7.782 1.200 588 H PHE 88 H PHE 88 16.738 2.373 2.260 589 HA PHE 88 HA PHE 88 14.244 1.606 1.073 590 HB2 PHE 88 2HB PHE 88 16.392 -0.328 1.966 591 HB3 PHE 88 1HB PHE 88 15.173 -0.578 0.728 592 HD1 PHE 88 2HD PHE 88 15.488 2.071 -0.699 593 HD2 PHE 88 1HD PHE 88 18.293 -0.754 0.782 594 HE1 PHE 88 2HE PHE 88 17.149 2.873 -2.312 595 HE2 PHE 88 1HE PHE 88 19.950 0.054 -0.821 596 HZ PHE 88 HZ PHE 88 19.396 1.860 -2.323 597 H GLU 89 H GLU 89 15.899 1.025 4.095 598 HA GLU 89 HA GLU 89 14.027 -0.704 5.260 599 HB2 GLU 89 2HB GLU 89 16.337 -0.390 6.058 600 HB3 GLU 89 1HB GLU 89 15.984 1.284 6.441 601 HG2 GLU 89 2HG GLU 89 16.068 -0.073 8.420 602 HG3 GLU 89 1HG GLU 89 14.444 0.569 8.170 603 H ALA 90 H ALA 90 14.370 2.764 4.906 604 HA ALA 90 HA ALA 90 12.268 3.374 6.717 605 HB1 ALA 90 1HB ALA 90 12.301 5.639 5.798 606 HB2 ALA 90 2HB ALA 90 13.284 5.084 4.444 607 HB3 ALA 90 3HB ALA 90 13.946 5.063 6.079 608 H ALA 91 H ALA 91 12.440 3.039 3.246 609 HA ALA 91 HA ALA 91 9.738 3.604 2.682 610 HB1 ALA 91 1HB ALA 91 10.216 2.697 0.478 611 HB2 ALA 91 2HB ALA 91 11.720 1.990 1.093 612 HB3 ALA 91 3HB ALA 91 11.536 3.735 1.027 613 H LEU 92 H LEU 92 11.435 0.580 3.261 614 HA LEU 92 HA LEU 92 9.295 -1.142 2.773 615 HB2 LEU 92 2HB LEU 92 11.697 -1.426 4.560 616 HB3 LEU 92 1HB LEU 92 10.515 -2.708 4.373 617 HG LEU 92 HG LEU 92 12.119 -1.551 2.088 618 HD11 LEU 92 1HD1 LEU 92 13.581 -2.685 3.685 619 HD12 LEU 92 2HD1 LEU 92 13.414 -3.614 2.196 620 HD13 LEU 92 3HD1 LEU 92 12.531 -4.102 3.643 621 HD21 LEU 92 3HD2 LEU 92 11.345 -3.591 0.938 622 HD22 LEU 92 1HD2 LEU 92 10.012 -2.532 1.401 623 HD23 LEU 92 2HD2 LEU 92 10.360 -3.977 2.344 624 H ALA 93 H ALA 93 10.232 0.567 5.699 625 HA ALA 93 HA ALA 93 8.197 -0.637 7.268 626 HB1 ALA 93 1HB ALA 93 10.210 0.350 8.288 627 HB2 ALA 93 2HB ALA 93 8.733 1.066 8.940 628 HB3 ALA 93 3HB ALA 93 9.688 1.947 7.749 629 H THR 94 H THR 94 8.316 2.018 5.072 630 HA THR 94 HA THR 94 6.012 3.325 6.023 631 HB THR 94 HB THR 94 7.395 3.399 3.322 632 HG1 THR 94 1HG THR 94 8.698 4.179 4.999 633 HG21 THR 94 3HG2 THR 94 5.349 5.327 4.454 634 HG22 THR 94 1HG2 THR 94 5.069 4.191 3.133 635 HG23 THR 94 2HG2 THR 94 6.217 5.516 2.931 636 H GLY 95 H GLY 95 6.754 1.111 3.389 637 HA2 GLY 95 2HA GLY 95 4.151 0.831 2.404 638 HA3 GLY 95 1HA GLY 95 5.513 -0.229 2.081 639 H ASP 96 H ASP 96 6.039 -1.111 4.688 640 HA ASP 96 HA ASP 96 4.171 -3.215 4.823 641 HB2 ASP 96 2HB ASP 96 6.480 -3.561 5.478 642 HB3 ASP 96 1HB ASP 96 6.317 -2.387 6.775 643 H LEU 97 H LEU 97 4.568 -0.316 6.786 644 HA LEU 97 HA LEU 97 2.551 -1.079 8.621 645 HB2 LEU 97 2HB LEU 97 3.676 1.650 8.026 646 HB3 LEU 97 1HB LEU 97 2.539 1.320 9.318 647 HG LEU 97 HG LEU 97 5.343 0.234 9.083 648 HD11 LEU 97 1HD1 LEU 97 4.125 2.212 10.995 649 HD12 LEU 97 2HD1 LEU 97 5.285 2.570 9.715 650 HD13 LEU 97 3HD1 LEU 97 5.763 1.571 11.088 651 HD21 LEU 97 3HD2 LEU 97 3.889 -1.426 10.088 652 HD22 LEU 97 1HD2 LEU 97 3.245 -0.219 11.200 653 HD23 LEU 97 2HD2 LEU 97 4.934 -0.721 11.319 654 H LEU 98 H LEU 98 2.434 0.971 5.725 655 HA LEU 98 HA LEU 98 -0.338 1.454 6.096 656 HB2 LEU 98 2HB LEU 98 -0.383 2.462 3.920 657 HB3 LEU 98 1HB LEU 98 1.095 2.953 4.713 658 HG LEU 98 HG LEU 98 2.023 0.897 3.448 659 HD11 LEU 98 1HD1 LEU 98 -0.245 1.749 1.653 660 HD12 LEU 98 2HD1 LEU 98 -0.030 0.177 2.419 661 HD13 LEU 98 3HD1 LEU 98 1.087 0.703 1.160 662 HD21 LEU 98 3HD2 LEU 98 2.743 2.414 1.601 663 HD22 LEU 98 1HD2 LEU 98 2.920 3.121 3.206 664 HD23 LEU 98 2HD2 LEU 98 1.567 3.594 2.178 665 H LEU 99 H LEU 99 1.483 -1.142 4.696 666 HA LEU 99 HA LEU 99 -0.510 -2.346 3.124 667 HB2 LEU 99 2HB LEU 99 1.967 -2.872 3.138 668 HB3 LEU 99 1HB LEU 99 1.749 -3.654 4.674 669 HG LEU 99 HG LEU 99 2.027 -5.192 2.719 670 HD11 LEU 99 1HD1 LEU 99 1.019 -6.044 4.735 671 HD12 LEU 99 2HD1 LEU 99 0.266 -6.762 3.309 672 HD13 LEU 99 3HD1 LEU 99 -0.567 -5.490 4.202 673 HD21 LEU 99 3HD2 LEU 99 -0.714 -4.213 1.966 674 HD22 LEU 99 1HD2 LEU 99 0.163 -5.544 1.219 675 HD23 LEU 99 2HD2 LEU 99 0.781 -3.898 1.082 676 H LYS 100 H LYS 100 0.442 -2.544 6.435 677 HA LYS 100 HA LYS 100 -1.467 -4.432 7.163 678 HB2 LYS 100 2HB LYS 100 0.324 -2.587 8.720 679 HB3 LYS 100 1HB LYS 100 -0.817 -3.669 9.523 680 HG2 LYS 100 2HG LYS 100 0.236 -5.584 8.718 681 HG3 LYS 100 1HG LYS 100 1.104 -4.691 7.478 682 HD2 LYS 100 2HD LYS 100 2.529 -3.693 9.142 683 HD3 LYS 100 1HD LYS 100 1.608 -4.464 10.448 684 HE2 LYS 100 2HE LYS 100 2.278 -6.634 9.732 685 HE3 LYS 100 1HE LYS 100 2.947 -5.994 8.235 686 HZ1 LYS 100 3HZ LYS 100 4.682 -4.983 9.402 687 HZ2 LYS 100 1HZ LYS 100 4.612 -6.578 9.893 688 HZ3 LYS 100 2HZ LYS 100 4.046 -5.366 10.931 689 H ASP 101 H ASP 101 -1.390 -0.966 6.893 690 HA ASP 101 HA ASP 101 -3.824 -0.613 8.342 691 HB2 ASP 101 2HB ASP 101 -2.229 1.239 8.121 692 HB3 ASP 101 1HB ASP 101 -2.483 1.254 6.379 693 H LEU 102 H LEU 102 -2.930 -1.089 5.062 694 HA LEU 102 HA LEU 102 -5.311 -0.695 3.685 695 HB2 LEU 102 2HB LEU 102 -3.169 -0.881 2.574 696 HB3 LEU 102 1HB LEU 102 -2.919 -2.481 3.213 697 HG LEU 102 HG LEU 102 -5.138 -1.983 1.222 698 HD11 LEU 102 1HD1 LEU 102 -3.533 -2.515 -0.553 699 HD12 LEU 102 2HD1 LEU 102 -2.224 -2.550 0.626 700 HD13 LEU 102 3HD1 LEU 102 -3.052 -1.035 0.275 701 HD21 LEU 102 3HD2 LEU 102 -5.036 -4.170 2.348 702 HD22 LEU 102 1HD2 LEU 102 -3.355 -4.349 1.840 703 HD23 LEU 102 2HD2 LEU 102 -4.636 -4.321 0.635 704 H LYS 103 H LYS 103 -3.949 -3.622 5.098 705 HA LYS 103 HA LYS 103 -6.221 -5.206 4.535 706 HB2 LYS 103 2HB LYS 103 -4.004 -5.641 6.536 707 HB3 LYS 103 1HB LYS 103 -5.218 -6.844 6.116 708 HG2 LYS 103 2HG LYS 103 -4.426 -6.844 3.802 709 HG3 LYS 103 1HG LYS 103 -3.233 -5.613 4.205 710 HD2 LYS 103 2HD LYS 103 -2.165 -7.783 4.134 711 HD3 LYS 103 1HD LYS 103 -2.190 -7.196 5.796 712 HE2 LYS 103 2HE LYS 103 -4.084 -8.632 6.296 713 HE3 LYS 103 1HE LYS 103 -4.152 -9.172 4.622 714 HZ1 LYS 103 3HZ LYS 103 -3.021 -10.786 6.003 715 HZ2 LYS 103 1HZ LYS 103 -1.910 -9.624 6.517 716 HZ3 LYS 103 2HZ LYS 103 -1.928 -10.114 4.910 717 H ALA 104 H ALA 104 -5.422 -3.061 7.156 718 HA ALA 104 HA ALA 104 -7.341 -4.041 9.000 719 HB1 ALA 104 1HB ALA 104 -6.041 -1.333 8.827 720 HB2 ALA 104 2HB ALA 104 -5.410 -2.734 9.693 721 HB3 ALA 104 3HB ALA 104 -6.915 -1.978 10.217 722 H LEU 105 H LEU 105 -7.294 -1.505 6.556 723 HA LEU 105 HA LEU 105 -9.859 -0.609 7.254 724 HB2 LEU 105 2HB LEU 105 -9.705 0.963 5.541 725 HB3 LEU 105 1HB LEU 105 -8.017 0.653 5.868 726 HG LEU 105 HG LEU 105 -8.459 -1.128 3.911 727 HD11 LEU 105 1HD1 LEU 105 -10.316 1.154 3.283 728 HD12 LEU 105 2HD1 LEU 105 -10.749 -0.535 3.550 729 HD13 LEU 105 3HD1 LEU 105 -9.798 -0.084 2.139 730 HD21 LEU 105 3HD2 LEU 105 -7.860 1.780 3.402 731 HD22 LEU 105 1HD2 LEU 105 -7.353 0.422 2.408 732 HD23 LEU 105 2HD2 LEU 105 -6.687 0.642 4.041 733 H GLN 106 H GLN 106 -8.501 -2.945 5.084 734 HA GLN 106 HA GLN 106 -10.780 -3.709 3.653 735 HB2 GLN 106 2HB GLN 106 -8.623 -4.506 2.980 736 HB3 GLN 106 1HB GLN 106 -8.362 -5.241 4.553 737 HG2 GLN 106 2HG GLN 106 -10.217 -6.790 4.089 738 HG3 GLN 106 1HG GLN 106 -10.339 -6.104 2.466 739 HE21 GLN 106 1HE2 GLN 106 -8.796 -6.585 0.979 740 HE22 GLN 106 2HE2 GLN 106 -7.574 -7.766 1.245 741 H LYS 107 H LYS 107 -9.633 -4.850 6.790 742 HA LYS 107 HA LYS 107 -11.784 -6.708 7.049 743 HB2 LYS 107 2HB LYS 107 -10.269 -5.359 9.305 744 HB3 LYS 107 1HB LYS 107 -11.217 -6.830 9.429 745 HG2 LYS 107 2HG LYS 107 -8.638 -6.479 7.910 746 HG3 LYS 107 1HG LYS 107 -8.853 -7.331 9.435 747 HD2 LYS 107 2HD LYS 107 -10.289 -8.967 8.318 748 HD3 LYS 107 1HD LYS 107 -10.099 -8.093 6.795 749 HE2 LYS 107 2HE LYS 107 -7.679 -8.490 6.881 750 HE3 LYS 107 1HE LYS 107 -7.892 -9.393 8.379 751 HZ1 LYS 107 3HZ LYS 107 -9.266 -10.974 7.161 752 HZ2 LYS 107 1HZ LYS 107 -7.730 -10.869 6.482 753 HZ3 LYS 107 2HZ LYS 107 -9.030 -10.121 5.737 754 H ARG 108 H ARG 108 -11.405 -3.351 7.766 755 HA ARG 108 HA ARG 108 -13.745 -2.989 9.305 756 HB2 ARG 108 2HB ARG 108 -11.876 -1.425 9.355 757 HB3 ARG 108 1HB ARG 108 -12.076 -1.104 7.646 758 HG2 ARG 108 2HG ARG 108 -14.197 -0.022 8.073 759 HG3 ARG 108 1HG ARG 108 -14.066 -0.397 9.794 760 HD2 ARG 108 2HD ARG 108 -12.031 0.923 9.945 761 HD3 ARG 108 1HD ARG 108 -12.104 1.268 8.220 762 HE ARG 108 HE ARG 108 -14.491 2.097 9.323 763 HH11 ARG 108 1HH1 ARG 108 -11.070 2.954 9.673 764 HH12 ARG 108 2HH1 ARG 108 -11.380 4.603 9.980 765 HH21 ARG 108 1HH2 ARG 108 -14.891 4.358 9.743 766 HH22 ARG 108 2HH2 ARG 108 -13.569 5.400 10.011 767 H VAL 109 H VAL 109 -12.955 -2.557 5.905 768 HA VAL 109 HA VAL 109 -15.550 -1.814 5.251 769 HB VAL 109 HB VAL 109 -13.272 -2.644 3.439 770 HG11 VAL 109 1HG1 VAL 109 -15.443 -2.853 2.277 771 HG12 VAL 109 2HG1 VAL 109 -14.512 -1.487 1.652 772 HG13 VAL 109 3HG1 VAL 109 -15.840 -1.207 2.768 773 HG21 VAL 109 3HG2 VAL 109 -14.310 0.063 4.242 774 HG22 VAL 109 1HG2 VAL 109 -13.013 -0.243 3.086 775 HG23 VAL 109 2HG2 VAL 109 -12.805 -0.687 4.780 776 H GLN 110 H GLN 110 -13.851 -4.911 5.126 777 HA GLN 110 HA GLN 110 -15.703 -6.524 3.816 778 HB2 GLN 110 2HB GLN 110 -13.671 -7.035 5.933 779 HB3 GLN 110 1HB GLN 110 -14.822 -8.296 5.559 780 HG2 GLN 110 2HG GLN 110 -12.933 -7.022 3.593 781 HG3 GLN 110 1HG GLN 110 -12.655 -8.541 4.428 782 HE21 GLN 110 1HE2 GLN 110 -15.513 -9.325 4.179 783 HE22 GLN 110 2HE2 GLN 110 -15.735 -9.760 2.534 784 H ASP 111 H ASP 111 -15.305 -5.608 7.148 785 HA ASP 111 HA ASP 111 -17.427 -7.110 8.078 786 HB2 ASP 111 2HB ASP 111 -15.508 -6.424 9.451 787 HB3 ASP 111 1HB ASP 111 -16.056 -4.758 9.358 788 H SER 112 H SER 112 -16.944 -3.690 7.409 789 HA SER 112 HA SER 112 -18.167 -2.181 6.381 790 HB2 SER 112 2HB SER 112 -19.053 -4.003 5.026 791 HB3 SER 112 1HB SER 112 -20.354 -4.253 6.184 792 HG SER 112 HG SER 112 -20.226 -1.659 5.384 793 H GLU 113 H GLU 113 -19.490 -3.687 9.159 794 HA GLU 113 HA GLU 113 -21.392 -1.580 9.656 795 HB2 GLU 113 2HB GLU 113 -20.531 -3.934 11.335 796 HB3 GLU 113 1HB GLU 113 -21.805 -2.805 11.778 797 HG2 GLU 113 2HG GLU 113 -21.805 -4.549 9.324 798 HG3 GLU 113 1HG GLU 113 -22.690 -4.880 10.812 Start of MODEL 16 1 H1 ASN 18 1HT ASN 18 12.286 10.794 2.380 2 H2 ASN 18 2HT ASN 18 13.342 12.035 2.714 3 H3 ASN 18 3HT ASN 18 13.609 11.032 1.369 4 HA ASN 18 HA ASN 18 11.284 12.822 1.729 5 HB2 ASN 18 2HB ASN 18 13.278 14.174 1.335 6 HB3 ASN 18 1HB ASN 18 13.734 13.171 -0.032 7 HD21 ASN 18 1HD2 ASN 18 13.719 14.837 -1.484 8 HD22 ASN 18 2HD2 ASN 18 12.291 15.620 -2.027 9 H THR 19 H THR 19 13.150 11.072 -0.808 10 HA THR 19 HA THR 19 11.070 11.127 -2.663 11 HB THR 19 HB THR 19 13.458 9.288 -2.475 12 HG1 THR 19 1HG THR 19 13.017 11.870 -3.557 13 HG21 THR 19 3HG2 THR 19 11.769 8.482 -4.096 14 HG22 THR 19 1HG2 THR 19 13.214 9.064 -4.922 15 HG23 THR 19 2HG2 THR 19 11.767 10.066 -4.868 16 H ALA 20 H ALA 20 12.153 8.510 -0.510 17 HA ALA 20 HA ALA 20 10.463 6.478 -1.423 18 HB1 ALA 20 1HB ALA 20 10.905 5.441 0.768 19 HB2 ALA 20 2HB ALA 20 11.618 6.955 1.317 20 HB3 ALA 20 3HB ALA 20 12.371 6.054 -0.000 21 H THR 21 H THR 21 10.011 8.891 1.109 22 HA THR 21 HA THR 21 7.701 7.969 2.281 23 HB THR 21 HB THR 21 8.154 10.801 1.953 24 HG1 THR 21 1HG THR 21 9.995 9.345 3.572 25 HG21 THR 21 3HG2 THR 21 8.004 10.705 4.451 26 HG22 THR 21 1HG2 THR 21 7.957 8.946 4.330 27 HG23 THR 21 2HG2 THR 21 6.641 9.907 3.654 28 H GLN 22 H GLN 22 8.207 10.501 -0.210 29 HA GLN 22 HA GLN 22 5.445 10.955 -0.545 30 HB2 GLN 22 2HB GLN 22 6.053 12.353 -2.496 31 HB3 GLN 22 1HB GLN 22 6.959 12.760 -1.054 32 HG2 GLN 22 2HG GLN 22 8.879 11.543 -1.929 33 HG3 GLN 22 1HG GLN 22 7.955 11.139 -3.377 34 HE21 GLN 22 1HE2 GLN 22 9.520 13.677 -1.601 35 HE22 GLN 22 2HE2 GLN 22 9.550 14.801 -2.904 36 H ARG 23 H ARG 23 7.721 8.917 -2.119 37 HA ARG 23 HA ARG 23 6.231 8.139 -4.350 38 HB2 ARG 23 2HB ARG 23 8.686 7.756 -3.944 39 HB3 ARG 23 1HB ARG 23 8.270 6.553 -2.753 40 HG2 ARG 23 2HG ARG 23 7.514 6.302 -5.659 41 HG3 ARG 23 1HG ARG 23 9.049 5.731 -5.019 42 HD2 ARG 23 2HD ARG 23 7.791 4.277 -3.451 43 HD3 ARG 23 1HD ARG 23 6.296 4.826 -4.193 44 HE ARG 23 HE ARG 23 8.404 3.372 -5.608 45 HH11 ARG 23 1HH1 ARG 23 4.977 4.090 -5.086 46 HH12 ARG 23 2HH1 ARG 23 4.400 2.832 -6.075 47 HH21 ARG 23 1HH2 ARG 23 7.616 1.593 -6.938 48 HH22 ARG 23 2HH2 ARG 23 5.950 1.376 -7.170 49 H PHE 24 H PHE 24 6.088 7.111 -0.940 50 HA PHE 24 HA PHE 24 3.929 5.373 -1.832 51 HB2 PHE 24 2HB PHE 24 5.565 5.163 0.680 52 HB3 PHE 24 1HB PHE 24 4.004 4.360 0.541 53 HD1 PHE 24 1HD PHE 24 4.071 3.435 -2.264 54 HD2 PHE 24 2HD PHE 24 7.131 3.401 0.715 55 HE1 PHE 24 1HE PHE 24 5.119 1.517 -3.359 56 HE2 PHE 24 2HE PHE 24 8.169 1.481 -0.402 57 HZ PHE 24 HZ PHE 24 7.176 0.540 -2.436 58 H HIS 25 H HIS 25 4.338 8.328 -0.593 59 HA HIS 25 HA HIS 25 2.130 8.673 1.111 60 HB2 HIS 25 2HB HIS 25 3.710 10.488 0.892 61 HB3 HIS 25 1HB HIS 25 3.442 10.568 -0.845 62 HD1 HIS 25 1HD HIS 25 1.617 12.133 -1.677 63 HD2 HIS 25 2HD HIS 25 1.421 11.511 2.445 64 HE1 HIS 25 1HE HIS 25 -0.050 13.739 -0.830 65 HE2 HIS 25 2HE HIS 25 -0.068 13.462 1.658 66 H GLU 26 H GLU 26 2.450 8.650 -2.367 67 HA GLU 26 HA GLU 26 -0.164 9.433 -2.935 68 HB2 GLU 26 2HB GLU 26 1.699 7.744 -4.598 69 HB3 GLU 26 1HB GLU 26 0.201 8.463 -5.179 70 HG2 GLU 26 2HG GLU 26 2.686 9.884 -4.264 71 HG3 GLU 26 1HG GLU 26 1.974 9.880 -5.878 72 H ILE 27 H ILE 27 1.156 6.414 -1.989 73 HA ILE 27 HA ILE 27 -1.220 4.964 -2.685 74 HB ILE 27 HB ILE 27 1.041 4.002 -0.904 75 HG12 ILE 27 2HG1 ILE 27 2.070 4.706 -2.975 76 HG13 ILE 27 1HG1 ILE 27 1.968 2.950 -2.993 77 HG21 ILE 27 1HG2 ILE 27 -1.021 2.658 -0.865 78 HG22 ILE 27 2HG2 ILE 27 0.311 1.775 -1.603 79 HG23 ILE 27 3HG2 ILE 27 -0.943 2.490 -2.619 80 HD11 ILE 27 3HD1 ILE 27 -0.017 3.118 -4.460 81 HD12 ILE 27 1HD1 ILE 27 1.419 3.872 -5.168 82 HD13 ILE 27 2HD1 ILE 27 0.166 4.873 -4.438 83 H GLU 28 H GLU 28 0.198 6.434 0.161 84 HA GLU 28 HA GLU 28 -1.631 5.547 2.094 85 HB2 GLU 28 2HB GLU 28 0.494 6.732 2.609 86 HB3 GLU 28 1HB GLU 28 -0.158 8.198 1.919 87 HG2 GLU 28 2HG GLU 28 -1.838 8.304 3.687 88 HG3 GLU 28 1HG GLU 28 -1.216 6.806 4.375 89 H LYS 29 H LYS 29 -1.711 8.415 0.040 90 HA LYS 29 HA LYS 29 -4.317 9.159 0.837 91 HB2 LYS 29 2HB LYS 29 -4.318 10.632 -1.286 92 HB3 LYS 29 1HB LYS 29 -3.145 10.979 -0.028 93 HG2 LYS 29 2HG LYS 29 -1.484 9.670 -1.332 94 HG3 LYS 29 1HG LYS 29 -2.658 9.579 -2.644 95 HD2 LYS 29 2HD LYS 29 -1.810 12.183 -1.427 96 HD3 LYS 29 1HD LYS 29 -0.879 11.433 -2.704 97 HE2 LYS 29 2HE LYS 29 -3.810 12.080 -2.968 98 HE3 LYS 29 1HE LYS 29 -2.518 13.177 -3.450 99 HZ1 LYS 29 3HZ LYS 29 -1.675 11.442 -4.925 100 HZ2 LYS 29 1HZ LYS 29 -3.256 11.920 -5.329 101 HZ3 LYS 29 2HZ LYS 29 -3.011 10.464 -4.526 102 H PHE 30 H PHE 30 -3.198 7.107 -1.740 103 HA PHE 30 HA PHE 30 -5.559 6.613 -3.154 104 HB2 PHE 30 2HB PHE 30 -3.154 5.797 -3.550 105 HB3 PHE 30 1HB PHE 30 -3.529 4.603 -2.313 106 HD1 PHE 30 2HD PHE 30 -4.999 2.726 -2.796 107 HD2 PHE 30 1HD PHE 30 -4.080 5.617 -5.772 108 HE1 PHE 30 2HE PHE 30 -5.838 1.197 -4.538 109 HE2 PHE 30 1HE PHE 30 -4.908 4.092 -7.516 110 HZ PHE 30 HZ PHE 30 -5.787 1.877 -6.896 111 H LEU 31 H LEU 31 -4.216 5.189 -0.235 112 HA LEU 31 HA LEU 31 -6.108 3.251 0.373 113 HB2 LEU 31 2HB LEU 31 -3.875 3.470 1.406 114 HB3 LEU 31 1HB LEU 31 -4.374 4.933 2.204 115 HG LEU 31 HG LEU 31 -5.608 2.240 2.838 116 HD11 LEU 31 1HD1 LEU 31 -3.263 3.617 4.142 117 HD12 LEU 31 2HD1 LEU 31 -3.194 2.134 3.186 118 HD13 LEU 31 3HD1 LEU 31 -4.053 2.153 4.724 119 HD21 LEU 31 3HD2 LEU 31 -6.179 3.308 4.962 120 HD22 LEU 31 1HD2 LEU 31 -6.855 4.225 3.617 121 HD23 LEU 31 2HD2 LEU 31 -5.401 4.800 4.438 122 H LEU 32 H LEU 32 -5.967 6.670 1.392 123 HA LEU 32 HA LEU 32 -8.380 6.402 2.777 124 HB2 LEU 32 2HB LEU 32 -8.470 8.848 3.082 125 HB3 LEU 32 1HB LEU 32 -6.899 8.193 3.461 126 HG LEU 32 HG LEU 32 -6.251 9.001 1.086 127 HD11 LEU 32 1HD1 LEU 32 -8.671 10.727 1.539 128 HD12 LEU 32 2HD1 LEU 32 -8.453 9.534 0.260 129 HD13 LEU 32 3HD1 LEU 32 -7.441 10.978 0.300 130 HD21 LEU 32 3HD2 LEU 32 -5.333 9.931 3.115 131 HD22 LEU 32 1HD2 LEU 32 -6.777 10.923 3.336 132 HD23 LEU 32 2HD2 LEU 32 -5.699 11.220 1.969 133 H HIS 33 H HIS 33 -7.698 7.291 -0.478 134 HA HIS 33 HA HIS 33 -10.269 8.059 -1.282 135 HB2 HIS 33 2HB HIS 33 -8.431 8.428 -2.818 136 HB3 HIS 33 1HB HIS 33 -8.031 6.716 -2.833 137 HD1 HIS 33 1HD HIS 33 -8.714 5.633 -4.959 138 HD2 HIS 33 2HD HIS 33 -11.297 8.715 -3.938 139 HE1 HIS 33 1HE HIS 33 -10.459 5.632 -6.704 140 HE2 HIS 33 2HE HIS 33 -12.196 7.085 -5.725 141 H ILE 34 H ILE 34 -8.850 4.886 -0.779 142 HA ILE 34 HA ILE 34 -10.926 3.394 -1.951 143 HB ILE 34 HB ILE 34 -8.877 2.661 0.165 144 HG12 ILE 34 2HG1 ILE 34 -9.055 1.969 -2.768 145 HG13 ILE 34 1HG1 ILE 34 -7.979 3.166 -2.056 146 HG21 ILE 34 1HG2 ILE 34 -10.803 1.209 0.469 147 HG22 ILE 34 2HG2 ILE 34 -9.441 0.309 -0.197 148 HG23 ILE 34 3HG2 ILE 34 -10.775 0.790 -1.244 149 HD11 ILE 34 3HD1 ILE 34 -6.808 1.086 -2.536 150 HD12 ILE 34 1HD1 ILE 34 -7.968 0.224 -1.525 151 HD13 ILE 34 2HD1 ILE 34 -6.871 1.387 -0.791 152 H THR 35 H THR 35 -10.302 4.473 1.368 153 HA THR 35 HA THR 35 -12.505 3.234 2.579 154 HB THR 35 HB THR 35 -11.499 5.937 3.390 155 HG1 THR 35 1HG THR 35 -10.130 3.475 3.315 156 HG21 THR 35 3HG2 THR 35 -13.311 4.884 4.713 157 HG22 THR 35 1HG2 THR 35 -11.824 5.036 5.657 158 HG23 THR 35 2HG2 THR 35 -12.279 3.480 4.970 159 H HIS 36 H HIS 36 -12.171 6.473 1.118 160 HA HIS 36 HA HIS 36 -14.825 7.344 1.601 161 HB2 HIS 36 2HB HIS 36 -12.855 8.250 -0.510 162 HB3 HIS 36 1HB HIS 36 -14.431 8.995 -0.274 163 HD1 HIS 36 1HD HIS 36 -11.136 9.723 0.427 164 HD2 HIS 36 2HD HIS 36 -14.561 9.681 2.754 165 HE1 HIS 36 1HE HIS 36 -10.616 11.150 2.425 166 HE2 HIS 36 2HE HIS 36 -12.620 10.849 3.921 167 H GLU 37 H GLU 37 -13.440 5.412 -0.961 168 HA GLU 37 HA GLU 37 -15.654 5.620 -2.659 169 HB2 GLU 37 2HB GLU 37 -13.128 4.798 -2.976 170 HB3 GLU 37 1HB GLU 37 -13.897 3.232 -2.752 171 HG2 GLU 37 2HG GLU 37 -13.751 3.739 -5.077 172 HG3 GLU 37 1HG GLU 37 -15.446 3.758 -4.558 173 H VAL 38 H VAL 38 -14.817 3.525 0.061 174 HA VAL 38 HA VAL 38 -16.795 1.587 -0.230 175 HB VAL 38 HB VAL 38 -15.500 2.731 2.274 176 HG11 VAL 38 1HG1 VAL 38 -17.591 1.556 2.817 177 HG12 VAL 38 2HG1 VAL 38 -16.196 0.639 3.383 178 HG13 VAL 38 3HG1 VAL 38 -17.042 0.144 1.915 179 HG21 VAL 38 3HG2 VAL 38 -14.042 0.805 2.176 180 HG22 VAL 38 1HG2 VAL 38 -13.918 1.755 0.701 181 HG23 VAL 38 2HG2 VAL 38 -14.840 0.246 0.706 182 H ASP 39 H ASP 39 -16.637 4.695 1.330 183 HA ASP 39 HA ASP 39 -19.198 4.638 2.406 184 HB2 ASP 39 2HB ASP 39 -17.538 7.052 1.648 185 HB3 ASP 39 1HB ASP 39 -18.989 7.119 2.639 186 H ASP 40 H ASP 40 -17.974 5.525 -0.731 187 HA ASP 40 HA ASP 40 -20.229 6.947 -1.681 188 HB2 ASP 40 2HB ASP 40 -18.032 7.324 -2.642 189 HB3 ASP 40 1HB ASP 40 -17.896 5.632 -3.091 190 H LEU 41 H LEU 41 -18.951 3.696 -2.030 191 HA LEU 41 HA LEU 41 -21.032 2.889 -3.716 192 HB2 LEU 41 2HB LEU 41 -20.193 0.577 -3.365 193 HB3 LEU 41 1HB LEU 41 -18.982 1.708 -3.904 194 HG LEU 41 HG LEU 41 -18.390 1.852 -1.390 195 HD11 LEU 41 1HD1 LEU 41 -18.667 -0.315 -0.211 196 HD12 LEU 41 2HD1 LEU 41 -19.855 -0.771 -1.445 197 HD13 LEU 41 3HD1 LEU 41 -20.142 0.619 -0.412 198 HD21 LEU 41 3HD2 LEU 41 -16.795 0.008 -1.668 199 HD22 LEU 41 1HD2 LEU 41 -16.888 1.052 -3.086 200 HD23 LEU 41 2HD2 LEU 41 -17.692 -0.520 -3.086 201 H GLU 42 H GLU 42 -20.561 2.913 -0.303 202 HA GLU 42 HA GLU 42 -22.596 1.254 0.505 203 HB2 GLU 42 2HB GLU 42 -20.751 2.273 1.887 204 HB3 GLU 42 1HB GLU 42 -21.637 3.778 1.872 205 HG2 GLU 42 2HG GLU 42 -22.625 1.212 3.097 206 HG3 GLU 42 1HG GLU 42 -21.803 2.496 3.975 207 H LYS 43 H LYS 43 -22.651 4.730 -0.381 208 HA LYS 43 HA LYS 43 -25.481 4.786 0.262 209 HB2 LYS 43 2HB LYS 43 -25.435 7.218 -0.328 210 HB3 LYS 43 1HB LYS 43 -24.349 6.784 0.965 211 HG2 LYS 43 2HG LYS 43 -23.255 8.408 -0.368 212 HG3 LYS 43 1HG LYS 43 -22.477 6.873 -0.734 213 HD2 LYS 43 2HD LYS 43 -23.737 6.711 -2.809 214 HD3 LYS 43 1HD LYS 43 -24.630 8.175 -2.405 215 HE2 LYS 43 2HE LYS 43 -21.642 8.052 -2.799 216 HE3 LYS 43 1HE LYS 43 -22.782 8.534 -4.047 217 HZ1 LYS 43 3HZ LYS 43 -23.467 10.381 -2.661 218 HZ2 LYS 43 1HZ LYS 43 -21.809 10.436 -2.917 219 HZ3 LYS 43 2HZ LYS 43 -22.403 9.925 -1.440 220 H THR 44 H THR 44 -23.670 3.974 -2.211 221 HA THR 44 HA THR 44 -25.413 4.814 -4.337 222 HB THR 44 HB THR 44 -22.746 3.592 -4.078 223 HG1 THR 44 1HG THR 44 -22.371 5.566 -4.016 224 HG21 THR 44 3HG2 THR 44 -23.685 2.512 -5.969 225 HG22 THR 44 1HG2 THR 44 -22.416 3.669 -6.385 226 HG23 THR 44 2HG2 THR 44 -24.130 4.105 -6.679 227 H GLY 45 H GLY 45 -24.273 1.716 -2.986 228 HA2 GLY 45 2HA GLY 45 -26.622 0.317 -3.301 229 HA3 GLY 45 1HA GLY 45 -25.849 0.198 -4.872 230 H ASN 46 H ASN 46 -23.164 0.125 -3.726 231 HA ASN 46 HA ASN 46 -21.552 -1.272 -3.053 232 HB2 ASN 46 2HB ASN 46 -21.670 -2.309 -0.864 233 HB3 ASN 46 1HB ASN 46 -22.529 -0.789 -0.785 234 HD21 ASN 46 1HD2 ASN 46 -23.809 -1.233 0.926 235 HD22 ASN 46 2HD2 ASN 46 -24.963 -2.498 0.992 236 H LYS 47 H LYS 47 -23.217 -2.063 -5.074 237 HA LYS 47 HA LYS 47 -24.242 -4.616 -5.017 238 HB2 LYS 47 2HB LYS 47 -24.925 -3.179 -6.708 239 HB3 LYS 47 1HB LYS 47 -23.278 -2.788 -7.156 240 HG2 LYS 47 2HG LYS 47 -23.019 -4.934 -8.218 241 HG3 LYS 47 1HG LYS 47 -24.621 -5.427 -7.666 242 HD2 LYS 47 2HD LYS 47 -24.550 -4.674 -10.052 243 HD3 LYS 47 1HD LYS 47 -25.688 -3.786 -9.045 244 HE2 LYS 47 2HE LYS 47 -24.446 -2.301 -10.575 245 HE3 LYS 47 1HE LYS 47 -24.129 -1.914 -8.891 246 HZ1 LYS 47 3HZ LYS 47 -21.962 -2.834 -9.049 247 HZ2 LYS 47 1HZ LYS 47 -22.184 -1.920 -10.424 248 HZ3 LYS 47 2HZ LYS 47 -22.291 -3.594 -10.526 249 H ASP 48 H ASP 48 -21.111 -3.665 -6.315 250 HA ASP 48 HA ASP 48 -19.964 -6.254 -5.538 251 HB2 ASP 48 2HB ASP 48 -20.740 -6.787 -7.745 252 HB3 ASP 48 1HB ASP 48 -20.094 -5.291 -8.402 253 H GLU 49 H GLU 49 -19.754 -3.014 -6.182 254 HA GLU 49 HA GLU 49 -17.089 -2.525 -6.871 255 HB2 GLU 49 2HB GLU 49 -18.199 -0.468 -5.151 256 HB3 GLU 49 1HB GLU 49 -17.712 -0.374 -6.827 257 HG2 GLU 49 2HG GLU 49 -20.400 -1.247 -5.781 258 HG3 GLU 49 1HG GLU 49 -20.016 0.284 -6.550 259 H LYS 50 H LYS 50 -18.595 -3.008 -3.798 260 HA LYS 50 HA LYS 50 -16.458 -2.087 -2.247 261 HB2 LYS 50 2HB LYS 50 -18.627 -2.291 -1.340 262 HB3 LYS 50 1HB LYS 50 -18.690 -3.999 -1.702 263 HG2 LYS 50 2HG LYS 50 -17.427 -4.558 0.120 264 HG3 LYS 50 1HG LYS 50 -16.623 -2.982 0.176 265 HD2 LYS 50 2HD LYS 50 -18.365 -1.943 1.140 266 HD3 LYS 50 1HD LYS 50 -19.543 -3.112 0.503 267 HE2 LYS 50 2HE LYS 50 -17.525 -3.745 2.667 268 HE3 LYS 50 1HE LYS 50 -19.184 -3.250 3.004 269 HZ1 LYS 50 3HZ LYS 50 -18.477 -5.620 1.360 270 HZ2 LYS 50 1HZ LYS 50 -20.004 -5.116 1.851 271 HZ3 LYS 50 2HZ LYS 50 -18.888 -5.699 2.987 272 H ALA 51 H ALA 51 -17.287 -5.346 -3.205 273 HA ALA 51 HA ALA 51 -14.960 -6.549 -2.132 274 HB1 ALA 51 1HB ALA 51 -15.528 -8.464 -3.527 275 HB2 ALA 51 2HB ALA 51 -16.674 -7.466 -4.429 276 HB3 ALA 51 3HB ALA 51 -16.958 -7.815 -2.725 277 H ARG 52 H ARG 52 -15.717 -5.199 -5.272 278 HA ARG 52 HA ARG 52 -13.408 -5.938 -6.702 279 HB2 ARG 52 2HB ARG 52 -15.608 -4.926 -7.557 280 HB3 ARG 52 1HB ARG 52 -14.951 -3.374 -7.071 281 HG2 ARG 52 2HG ARG 52 -14.606 -3.641 -9.417 282 HG3 ARG 52 1HG ARG 52 -13.040 -3.765 -8.615 283 HD2 ARG 52 2HD ARG 52 -13.358 -5.479 -10.378 284 HD3 ARG 52 1HD ARG 52 -13.089 -6.183 -8.783 285 HE ARG 52 HE ARG 52 -15.855 -5.925 -9.146 286 HH11 ARG 52 1HH1 ARG 52 -13.250 -7.842 -10.599 287 HH12 ARG 52 2HH1 ARG 52 -14.286 -9.147 -10.956 288 HH21 ARG 52 1HH2 ARG 52 -17.147 -7.649 -9.587 289 HH22 ARG 52 2HH2 ARG 52 -16.564 -9.060 -10.395 290 H LEU 53 H LEU 53 -14.215 -3.022 -4.805 291 HA LEU 53 HA LEU 53 -11.840 -1.667 -5.166 292 HB2 LEU 53 2HB LEU 53 -13.856 -0.617 -4.510 293 HB3 LEU 53 1HB LEU 53 -13.995 -1.639 -3.093 294 HG LEU 53 HG LEU 53 -11.966 -0.752 -2.330 295 HD11 LEU 53 1HD1 LEU 53 -11.268 1.562 -3.214 296 HD12 LEU 53 2HD1 LEU 53 -12.429 1.325 -4.517 297 HD13 LEU 53 3HD1 LEU 53 -11.035 0.255 -4.373 298 HD21 LEU 53 3HD2 LEU 53 -12.997 1.391 -1.490 299 HD22 LEU 53 1HD2 LEU 53 -13.996 -0.055 -1.351 300 HD23 LEU 53 2HD2 LEU 53 -14.303 1.099 -2.645 301 H LEU 54 H LEU 54 -12.883 -4.062 -2.757 302 HA LEU 54 HA LEU 54 -10.592 -3.802 -1.123 303 HB2 LEU 54 2HB LEU 54 -12.362 -6.207 -1.543 304 HB3 LEU 54 1HB LEU 54 -11.117 -6.097 -0.312 305 HG LEU 54 HG LEU 54 -13.632 -4.453 -0.491 306 HD11 LEU 54 1HD1 LEU 54 -14.184 -5.540 1.618 307 HD12 LEU 54 2HD1 LEU 54 -12.709 -6.500 1.509 308 HD13 LEU 54 3HD1 LEU 54 -13.987 -6.705 0.311 309 HD21 LEU 54 3HD2 LEU 54 -11.320 -4.262 1.443 310 HD22 LEU 54 1HD2 LEU 54 -12.888 -3.489 1.671 311 HD23 LEU 54 2HD2 LEU 54 -11.881 -3.023 0.317 312 H ARG 55 H ARG 55 -11.269 -5.533 -3.972 313 HA ARG 55 HA ARG 55 -8.789 -6.951 -3.969 314 HB2 ARG 55 2HB ARG 55 -10.806 -6.505 -6.171 315 HB3 ARG 55 1HB ARG 55 -9.313 -7.394 -6.433 316 HG2 ARG 55 2HG ARG 55 -11.385 -8.125 -4.368 317 HG3 ARG 55 1HG ARG 55 -11.259 -8.863 -5.966 318 HD2 ARG 55 2HD ARG 55 -9.117 -9.771 -5.469 319 HD3 ARG 55 1HD ARG 55 -8.971 -8.840 -3.988 320 HE ARG 55 HE ARG 55 -11.206 -10.635 -4.072 321 HH11 ARG 55 1HH1 ARG 55 -7.737 -10.371 -3.360 322 HH12 ARG 55 2HH1 ARG 55 -7.749 -11.492 -2.093 323 HH21 ARG 55 1HH2 ARG 55 -11.209 -12.218 -2.310 324 HH22 ARG 55 2HH2 ARG 55 -9.756 -12.559 -1.479 325 H GLU 56 H GLU 56 -9.808 -3.865 -4.960 326 HA GLU 56 HA GLU 56 -7.491 -3.204 -6.440 327 HB2 GLU 56 2HB GLU 56 -9.545 -1.965 -6.772 328 HB3 GLU 56 1HB GLU 56 -9.579 -1.498 -5.081 329 HG2 GLU 56 2HG GLU 56 -7.743 -0.073 -5.341 330 HG3 GLU 56 1HG GLU 56 -7.400 -0.676 -6.974 331 H LEU 57 H LEU 57 -8.348 -3.066 -3.006 332 HA LEU 57 HA LEU 57 -5.918 -1.729 -2.425 333 HB2 LEU 57 2HB LEU 57 -6.337 -1.988 -0.065 334 HB3 LEU 57 1HB LEU 57 -7.833 -1.557 -0.828 335 HG LEU 57 HG LEU 57 -8.411 -4.068 -0.638 336 HD11 LEU 57 1HD1 LEU 57 -6.178 -4.874 -0.047 337 HD12 LEU 57 2HD1 LEU 57 -7.346 -5.217 1.227 338 HD13 LEU 57 3HD1 LEU 57 -6.206 -3.889 1.418 339 HD21 LEU 57 3HD2 LEU 57 -9.469 -2.270 0.606 340 HD22 LEU 57 1HD2 LEU 57 -8.171 -2.322 1.800 341 HD23 LEU 57 2HD2 LEU 57 -9.252 -3.707 1.602 342 H THR 58 H THR 58 -6.887 -5.021 -2.760 343 HA THR 58 HA THR 58 -4.468 -6.090 -1.923 344 HB THR 58 HB THR 58 -6.370 -7.239 -3.984 345 HG1 THR 58 1HG THR 58 -6.195 -7.154 -1.189 346 HG21 THR 58 3HG2 THR 58 -4.195 -8.412 -3.872 347 HG22 THR 58 1HG2 THR 58 -5.478 -9.399 -3.173 348 HG23 THR 58 2HG2 THR 58 -4.351 -8.538 -2.123 349 H VAL 59 H VAL 59 -5.514 -4.825 -5.039 350 HA VAL 59 HA VAL 59 -3.158 -5.335 -6.496 351 HB VAL 59 HB VAL 59 -4.954 -2.868 -6.707 352 HG11 VAL 59 1HG1 VAL 59 -4.060 -2.608 -8.975 353 HG12 VAL 59 2HG1 VAL 59 -2.969 -3.966 -8.702 354 HG13 VAL 59 3HG1 VAL 59 -2.783 -2.482 -7.766 355 HG21 VAL 59 3HG2 VAL 59 -4.992 -5.422 -8.315 356 HG22 VAL 59 1HG2 VAL 59 -6.022 -4.018 -8.586 357 HG23 VAL 59 2HG2 VAL 59 -6.176 -4.954 -7.096 358 H SER 60 H SER 60 -4.029 -2.818 -4.239 359 HA SER 60 HA SER 60 -1.660 -1.317 -4.411 360 HB2 SER 60 2HB SER 60 -3.516 -1.571 -2.033 361 HB3 SER 60 1HB SER 60 -2.393 -0.245 -2.349 362 HG SER 60 HG SER 60 -4.612 -0.962 -4.002 363 H GLU 61 H GLU 61 -2.635 -3.890 -2.304 364 HA GLU 61 HA GLU 61 -0.311 -4.206 -0.768 365 HB2 GLU 61 2HB GLU 61 -2.155 -6.397 -1.783 366 HB3 GLU 61 1HB GLU 61 -0.972 -6.588 -0.505 367 HG2 GLU 61 2HG GLU 61 -2.217 -5.024 0.896 368 HG3 GLU 61 1HG GLU 61 -3.386 -4.782 -0.400 369 H ALA 62 H ALA 62 -1.151 -5.300 -3.979 370 HA ALA 62 HA ALA 62 1.000 -7.067 -4.343 371 HB1 ALA 62 1HB ALA 62 0.381 -7.152 -6.666 372 HB2 ALA 62 2HB ALA 62 -0.601 -5.698 -6.486 373 HB3 ALA 62 3HB ALA 62 -1.069 -7.186 -5.664 374 H PHE 63 H PHE 63 0.660 -3.643 -5.337 375 HA PHE 63 HA PHE 63 3.302 -3.889 -6.345 376 HB2 PHE 63 2HB PHE 63 3.292 -1.326 -6.624 377 HB3 PHE 63 1HB PHE 63 2.209 -2.276 -7.626 378 HD1 PHE 63 1HD PHE 63 2.300 -0.386 -4.439 379 HD2 PHE 63 2HD PHE 63 0.046 -1.690 -7.791 380 HE1 PHE 63 1HE PHE 63 0.403 0.955 -3.685 381 HE2 PHE 63 2HE PHE 63 -1.854 -0.350 -7.045 382 HZ PHE 63 HZ PHE 63 -1.686 0.928 -4.975 383 H ILE 64 H ILE 64 2.018 -2.899 -3.300 384 HA ILE 64 HA ILE 64 4.436 -1.952 -2.253 385 HB ILE 64 HB ILE 64 2.136 -3.403 -0.920 386 HG12 ILE 64 2HG1 ILE 64 1.755 -1.064 -1.593 387 HG13 ILE 64 1HG1 ILE 64 1.712 -1.267 0.158 388 HG21 ILE 64 1HG2 ILE 64 4.594 -2.384 0.511 389 HG22 ILE 64 2HG2 ILE 64 4.106 -4.069 0.341 390 HG23 ILE 64 3HG2 ILE 64 3.119 -2.960 1.290 391 HD11 ILE 64 3HD1 ILE 64 2.879 0.783 -0.482 392 HD12 ILE 64 1HD1 ILE 64 4.046 -0.143 -1.411 393 HD13 ILE 64 2HD1 ILE 64 3.969 -0.315 0.335 394 H GLU 65 H GLU 65 3.172 -5.247 -2.382 395 HA GLU 65 HA GLU 65 5.414 -6.559 -1.328 396 HB2 GLU 65 2HB GLU 65 3.328 -7.488 -3.290 397 HB3 GLU 65 1HB GLU 65 4.572 -8.551 -2.656 398 HG2 GLU 65 2HG GLU 65 2.619 -7.053 -0.932 399 HG3 GLU 65 1HG GLU 65 2.356 -8.692 -1.515 400 H GLY 66 H GLY 66 4.639 -5.790 -4.707 401 HA2 GLY 66 2HA GLY 66 6.873 -7.017 -5.884 402 HA3 GLY 66 1HA GLY 66 5.952 -5.698 -6.587 403 H SER 67 H SER 67 6.431 -3.677 -4.795 404 HA SER 67 HA SER 67 9.028 -2.857 -5.582 405 HB2 SER 67 2HB SER 67 7.192 -1.594 -3.531 406 HB3 SER 67 1HB SER 67 8.507 -0.798 -4.402 407 HG SER 67 HG SER 67 5.977 -1.559 -5.241 408 H ARG 68 H ARG 68 7.604 -4.246 -2.758 409 HA ARG 68 HA ARG 68 9.687 -3.779 -0.954 410 HB2 ARG 68 2HB ARG 68 7.292 -4.430 -0.466 411 HB3 ARG 68 1HB ARG 68 7.699 -6.040 -0.991 412 HG2 ARG 68 2HG ARG 68 9.242 -6.233 0.920 413 HG3 ARG 68 1HG ARG 68 8.729 -4.614 1.441 414 HD2 ARG 68 2HD ARG 68 6.359 -5.454 1.316 415 HD3 ARG 68 1HD ARG 68 7.027 -7.068 1.138 416 HE ARG 68 HE ARG 68 8.142 -5.986 3.424 417 HH11 ARG 68 1HH1 ARG 68 4.933 -6.960 2.222 418 HH12 ARG 68 2HH1 ARG 68 4.274 -7.154 3.767 419 HH21 ARG 68 1HH2 ARG 68 7.182 -6.277 5.562 420 HH22 ARG 68 2HH2 ARG 68 5.552 -6.733 5.686 421 H GLY 69 H GLY 69 8.862 -6.523 -2.964 422 HA2 GLY 69 2HA GLY 69 11.168 -8.005 -2.325 423 HA3 GLY 69 1HA GLY 69 10.149 -8.224 -3.748 424 H TYR 70 H TYR 70 10.589 -5.287 -4.280 425 HA TYR 70 HA TYR 70 12.733 -5.719 -6.168 426 HB2 TYR 70 2HB TYR 70 10.685 -4.249 -6.561 427 HB3 TYR 70 1HB TYR 70 11.400 -3.097 -5.449 428 HD1 TYR 70 1HD TYR 70 13.394 -1.792 -6.124 429 HD2 TYR 70 2HD TYR 70 11.502 -4.527 -8.778 430 HE1 TYR 70 1HE TYR 70 14.555 -0.752 -8.024 431 HE2 TYR 70 2HE TYR 70 12.664 -3.504 -10.672 432 HH TYR 70 HH TYR 70 13.638 -1.255 -11.169 433 H PHE 71 H PHE 71 12.192 -3.773 -3.316 434 HA PHE 71 HA PHE 71 14.781 -2.726 -3.132 435 HB2 PHE 71 2HB PHE 71 12.739 -3.116 -0.931 436 HB3 PHE 71 1HB PHE 71 14.207 -2.162 -0.788 437 HD1 PHE 71 1HD PHE 71 14.292 -0.620 -3.242 438 HD2 PHE 71 2HD PHE 71 10.943 -1.690 -0.843 439 HE1 PHE 71 1HE PHE 71 13.069 1.345 -4.071 440 HE2 PHE 71 2HE PHE 71 9.718 0.267 -1.672 441 HZ PHE 71 HZ PHE 71 10.779 1.785 -3.288 442 H GLN 72 H GLN 72 13.218 -5.558 -1.805 443 HA GLN 72 HA GLN 72 15.116 -6.571 -0.100 444 HB2 GLN 72 2HB GLN 72 12.822 -7.426 -0.522 445 HB3 GLN 72 1HB GLN 72 13.376 -8.068 -2.056 446 HG2 GLN 72 2HG GLN 72 13.230 -9.790 -0.434 447 HG3 GLN 72 1HG GLN 72 14.925 -9.509 -0.879 448 HE21 GLN 72 1HE2 GLN 72 12.512 -9.090 1.591 449 HE22 GLN 72 2HE2 GLN 72 13.608 -8.774 2.881 450 H ARG 73 H ARG 73 14.827 -6.922 -3.610 451 HA ARG 73 HA ARG 73 17.110 -8.557 -3.972 452 HB2 ARG 73 2HB ARG 73 15.387 -6.938 -5.773 453 HB3 ARG 73 1HB ARG 73 16.955 -7.435 -6.377 454 HG2 ARG 73 2HG ARG 73 15.084 -8.901 -6.998 455 HG3 ARG 73 1HG ARG 73 16.389 -9.750 -6.138 456 HD2 ARG 73 2HD ARG 73 14.991 -9.571 -4.091 457 HD3 ARG 73 1HD ARG 73 13.727 -8.827 -5.057 458 HE ARG 73 HE ARG 73 14.736 -11.539 -5.495 459 HH11 ARG 73 1HH1 ARG 73 12.026 -9.265 -5.429 460 HH12 ARG 73 2HH1 ARG 73 10.824 -10.448 -5.590 461 HH21 ARG 73 1HH2 ARG 73 13.074 -13.178 -5.692 462 HH22 ARG 73 2HH2 ARG 73 11.436 -12.732 -5.747 463 H GLU 74 H GLU 74 16.647 -5.105 -3.994 464 HA GLU 74 HA GLU 74 19.297 -4.543 -4.697 465 HB2 GLU 74 2HB GLU 74 17.346 -2.777 -3.220 466 HB3 GLU 74 1HB GLU 74 18.898 -2.234 -3.839 467 HG2 GLU 74 2HG GLU 74 18.095 -3.047 -6.116 468 HG3 GLU 74 1HG GLU 74 16.497 -3.138 -5.378 469 H LEU 75 H LEU 75 17.912 -5.121 -1.526 470 HA LEU 75 HA LEU 75 20.346 -4.510 -0.202 471 HB2 LEU 75 2HB LEU 75 18.002 -6.185 0.653 472 HB3 LEU 75 1HB LEU 75 19.475 -6.218 1.594 473 HG LEU 75 HG LEU 75 19.230 -3.698 1.825 474 HD11 LEU 75 1HD1 LEU 75 17.691 -3.271 0.036 475 HD12 LEU 75 2HD1 LEU 75 17.009 -2.764 1.579 476 HD13 LEU 75 3HD1 LEU 75 16.466 -4.265 0.824 477 HD21 LEU 75 3HD2 LEU 75 18.753 -5.215 3.644 478 HD22 LEU 75 1HD2 LEU 75 17.109 -5.454 3.046 479 HD23 LEU 75 2HD2 LEU 75 17.620 -3.869 3.639 480 H LYS 76 H LYS 76 19.489 -7.100 -2.199 481 HA LYS 76 HA LYS 76 21.470 -8.913 -1.112 482 HB2 LYS 76 2HB LYS 76 19.933 -9.155 -3.716 483 HB3 LYS 76 1HB LYS 76 20.857 -10.423 -2.934 484 HG2 LYS 76 2HG LYS 76 18.319 -9.166 -1.881 485 HG3 LYS 76 1HG LYS 76 18.462 -10.747 -2.640 486 HD2 LYS 76 2HD LYS 76 19.881 -11.506 -0.783 487 HD3 LYS 76 1HD LYS 76 19.759 -9.908 -0.039 488 HE2 LYS 76 2HE LYS 76 17.324 -10.174 0.138 489 HE3 LYS 76 1HE LYS 76 17.445 -11.766 -0.603 490 HZ1 LYS 76 3HZ LYS 76 18.749 -12.509 1.314 491 HZ2 LYS 76 1HZ LYS 76 17.263 -11.893 1.806 492 HZ3 LYS 76 2HZ LYS 76 18.645 -10.971 1.995 493 H ARG 77 H ARG 77 21.302 -6.347 -3.319 494 HA ARG 77 HA ARG 77 23.519 -6.915 -5.003 495 HB2 ARG 77 2HB ARG 77 22.313 -4.315 -4.068 496 HB3 ARG 77 1HB ARG 77 23.691 -4.367 -5.140 497 HG2 ARG 77 2HG ARG 77 21.021 -5.599 -5.755 498 HG3 ARG 77 1HG ARG 77 21.509 -3.977 -6.252 499 HD2 ARG 77 2HD ARG 77 22.815 -6.564 -6.966 500 HD3 ARG 77 1HD ARG 77 21.864 -5.516 -8.049 501 HE ARG 77 HE ARG 77 24.479 -4.751 -6.846 502 HH11 ARG 77 1HH1 ARG 77 22.329 -4.720 -9.689 503 HH12 ARG 77 2HH1 ARG 77 23.412 -3.866 -10.653 504 HH21 ARG 77 1HH2 ARG 77 25.940 -3.623 -8.158 505 HH22 ARG 77 2HH2 ARG 77 25.559 -3.181 -9.758 506 H THR 78 H THR 78 23.179 -4.940 -2.117 507 HA THR 78 HA THR 78 24.534 -4.382 -0.425 508 HB THR 78 HB THR 78 26.485 -6.456 -1.480 509 HG1 THR 78 1HG THR 78 23.999 -6.727 -0.521 510 HG21 THR 78 3HG2 THR 78 27.201 -6.639 0.886 511 HG22 THR 78 1HG2 THR 78 26.059 -5.371 1.329 512 HG23 THR 78 2HG2 THR 78 27.436 -5.001 0.286 513 H ASP 79 H ASP 79 25.293 -3.917 -3.613 514 HA ASP 79 HA ASP 79 27.732 -2.470 -3.621 515 HB2 ASP 79 2HB ASP 79 25.275 -2.110 -5.348 516 HB3 ASP 79 1HB ASP 79 26.830 -1.367 -5.671 517 H LEU 80 H LEU 80 24.613 -1.752 -2.665 518 HA LEU 80 HA LEU 80 24.065 0.903 -2.171 519 HB2 LEU 80 2HB LEU 80 23.935 -1.518 -0.423 520 HB3 LEU 80 1HB LEU 80 23.242 0.029 -0.033 521 HG LEU 80 HG LEU 80 21.554 -0.222 -1.708 522 HD11 LEU 80 1HD1 LEU 80 22.863 -1.243 -3.512 523 HD12 LEU 80 2HD1 LEU 80 21.373 -2.127 -3.181 524 HD13 LEU 80 3HD1 LEU 80 22.912 -2.756 -2.601 525 HD21 LEU 80 3HD2 LEU 80 21.136 -1.344 0.370 526 HD22 LEU 80 1HD2 LEU 80 22.023 -2.762 -0.188 527 HD23 LEU 80 2HD2 LEU 80 20.506 -2.335 -0.957 528 H ASP 81 H ASP 81 24.065 1.860 -0.511 529 HA ASP 81 HA ASP 81 26.369 1.911 1.268 530 HB2 ASP 81 2HB ASP 81 26.619 3.702 -0.477 531 HB3 ASP 81 1HB ASP 81 25.021 4.297 -0.056 532 H LEU 82 H LEU 82 25.674 3.245 3.242 533 HA LEU 82 HA LEU 82 23.331 2.267 4.390 534 HB2 LEU 82 2HB LEU 82 24.721 4.890 4.996 535 HB3 LEU 82 1HB LEU 82 23.613 4.049 6.055 536 HG LEU 82 HG LEU 82 26.359 3.073 5.260 537 HD11 LEU 82 1HD1 LEU 82 26.479 4.982 6.736 538 HD12 LEU 82 2HD1 LEU 82 26.930 3.510 7.600 539 HD13 LEU 82 3HD1 LEU 82 25.338 4.223 7.848 540 HD21 LEU 82 3HD2 LEU 82 26.002 1.367 6.985 541 HD22 LEU 82 1HD2 LEU 82 24.847 1.229 5.661 542 HD23 LEU 82 2HD2 LEU 82 24.343 1.939 7.197 543 H LEU 83 H LEU 83 24.008 5.005 2.398 544 HA LEU 83 HA LEU 83 21.709 6.593 2.577 545 HB2 LEU 83 2HB LEU 83 24.038 6.553 1.204 546 HB3 LEU 83 1HB LEU 83 22.970 5.985 -0.023 547 HG LEU 83 HG LEU 83 23.284 8.385 -0.315 548 HD11 LEU 83 1HD1 LEU 83 20.549 7.953 0.827 549 HD12 LEU 83 2HD1 LEU 83 21.061 7.586 -0.814 550 HD13 LEU 83 3HD1 LEU 83 21.045 9.261 -0.252 551 HD21 LEU 83 3HD2 LEU 83 22.349 8.703 2.526 552 HD22 LEU 83 1HD2 LEU 83 22.696 10.012 1.397 553 HD23 LEU 83 2HD2 LEU 83 23.993 8.942 1.931 554 H GLU 84 H GLU 84 22.435 3.914 0.443 555 HA GLU 84 HA GLU 84 19.960 4.039 -0.958 556 HB2 GLU 84 2HB GLU 84 22.069 1.902 -0.727 557 HB3 GLU 84 1HB GLU 84 20.643 1.742 -1.740 558 HG2 GLU 84 2HG GLU 84 22.633 3.971 -2.029 559 HG3 GLU 84 1HG GLU 84 22.735 2.447 -2.911 560 H LYS 85 H LYS 85 21.279 1.996 1.536 561 HA LYS 85 HA LYS 85 19.084 0.316 1.818 562 HB2 LYS 85 2HB LYS 85 21.533 0.166 2.748 563 HB3 LYS 85 1HB LYS 85 20.868 1.016 4.128 564 HG2 LYS 85 2HG LYS 85 19.829 -1.605 3.081 565 HG3 LYS 85 1HG LYS 85 21.016 -1.470 4.375 566 HD2 LYS 85 2HD LYS 85 18.206 -0.355 4.445 567 HD3 LYS 85 1HD LYS 85 18.685 -1.891 5.163 568 HE2 LYS 85 2HE LYS 85 19.763 0.827 5.903 569 HE3 LYS 85 1HE LYS 85 18.549 -0.056 6.819 570 HZ1 LYS 85 3HZ LYS 85 20.200 -1.793 7.211 571 HZ2 LYS 85 1HZ LYS 85 20.714 -0.324 7.810 572 HZ3 LYS 85 2HZ LYS 85 21.367 -0.928 6.383 573 H PHE 86 H PHE 86 19.848 3.467 3.231 574 HA PHE 86 HA PHE 86 17.901 3.356 5.142 575 HB2 PHE 86 2HB PHE 86 19.733 4.975 5.232 576 HB3 PHE 86 1HB PHE 86 19.056 5.834 3.859 577 HD1 PHE 86 1HD PHE 86 18.269 4.800 7.345 578 HD2 PHE 86 2HD PHE 86 17.575 7.592 4.209 579 HE1 PHE 86 1HE PHE 86 16.982 6.205 8.888 580 HE2 PHE 86 2HE PHE 86 16.283 9.003 5.754 581 HZ PHE 86 HZ PHE 86 15.988 8.309 8.097 582 H ASN 87 H ASN 87 17.753 4.232 1.818 583 HA ASN 87 HA ASN 87 15.204 5.516 1.892 584 HB2 ASN 87 2HB ASN 87 17.091 4.770 -0.317 585 HB3 ASN 87 1HB ASN 87 15.430 5.208 -0.691 586 HD21 ASN 87 1HD2 ASN 87 18.479 6.367 0.615 587 HD22 ASN 87 2HD2 ASN 87 18.096 8.034 0.463 588 H PHE 88 H PHE 88 16.469 2.352 1.278 589 HA PHE 88 HA PHE 88 14.000 1.344 0.247 590 HB2 PHE 88 2HB PHE 88 16.114 -0.326 1.581 591 HB3 PHE 88 1HB PHE 88 14.907 -0.855 0.423 592 HD1 PHE 88 2HD PHE 88 15.241 1.385 -1.564 593 HD2 PHE 88 1HD PHE 88 18.017 -0.993 0.563 594 HE1 PHE 88 2HE PHE 88 16.921 1.812 -3.274 595 HE2 PHE 88 1HE PHE 88 19.689 -0.558 -1.131 596 HZ PHE 88 HZ PHE 88 19.193 0.838 -3.006 597 H GLU 89 H GLU 89 15.638 1.303 3.370 598 HA GLU 89 HA GLU 89 13.535 -0.137 4.544 599 HB2 GLU 89 2HB GLU 89 14.539 0.284 6.667 600 HB3 GLU 89 1HB GLU 89 15.837 -0.022 5.530 601 HG2 GLU 89 2HG GLU 89 16.396 2.258 5.429 602 HG3 GLU 89 1HG GLU 89 14.960 2.730 6.332 603 H ALA 90 H ALA 90 14.174 3.232 3.850 604 HA ALA 90 HA ALA 90 12.195 4.235 5.619 605 HB1 ALA 90 1HB ALA 90 12.198 6.288 4.250 606 HB2 ALA 90 2HB ALA 90 13.101 5.443 2.995 607 HB3 ALA 90 3HB ALA 90 13.842 5.734 4.569 608 H ALA 91 H ALA 91 12.132 3.229 2.282 609 HA ALA 91 HA ALA 91 9.366 3.746 1.862 610 HB1 ALA 91 1HB ALA 91 11.162 3.639 0.108 611 HB2 ALA 91 2HB ALA 91 9.698 2.753 -0.269 612 HB3 ALA 91 3HB ALA 91 11.144 1.890 0.290 613 H LEU 92 H LEU 92 11.180 0.899 2.815 614 HA LEU 92 HA LEU 92 9.039 -0.932 2.719 615 HB2 LEU 92 2HB LEU 92 11.452 -0.918 4.542 616 HB3 LEU 92 1HB LEU 92 10.338 -2.255 4.397 617 HG LEU 92 HG LEU 92 12.134 -1.222 2.197 618 HD11 LEU 92 1HD1 LEU 92 13.339 -3.325 2.499 619 HD12 LEU 92 2HD1 LEU 92 12.298 -3.724 3.866 620 HD13 LEU 92 3HD1 LEU 92 13.379 -2.336 3.957 621 HD21 LEU 92 3HD2 LEU 92 11.427 -3.240 0.988 622 HD22 LEU 92 1HD2 LEU 92 10.066 -2.159 1.304 623 HD23 LEU 92 2HD2 LEU 92 10.298 -3.602 2.291 624 H ALA 93 H ALA 93 10.092 1.378 5.132 625 HA ALA 93 HA ALA 93 8.312 0.487 7.134 626 HB1 ALA 93 1HB ALA 93 10.322 1.810 7.647 627 HB2 ALA 93 2HB ALA 93 8.861 2.567 8.276 628 HB3 ALA 93 3HB ALA 93 9.614 3.190 6.808 629 H THR 94 H THR 94 8.136 2.811 4.525 630 HA THR 94 HA THR 94 5.797 3.989 5.504 631 HB THR 94 HB THR 94 6.874 4.068 2.680 632 HG1 THR 94 1HG THR 94 8.436 4.827 4.301 633 HG21 THR 94 3HG2 THR 94 5.077 5.947 4.222 634 HG22 THR 94 1HG2 THR 94 4.584 4.912 2.883 635 HG23 THR 94 2HG2 THR 94 5.699 6.257 2.602 636 H GLY 95 H GLY 95 6.638 1.557 3.131 637 HA2 GLY 95 2HA GLY 95 4.106 1.030 2.089 638 HA3 GLY 95 1HA GLY 95 5.507 -0.032 2.023 639 H ASP 96 H ASP 96 5.889 -0.367 4.843 640 HA ASP 96 HA ASP 96 4.133 -2.525 5.276 641 HB2 ASP 96 2HB ASP 96 6.379 -2.516 6.241 642 HB3 ASP 96 1HB ASP 96 5.996 -1.080 7.181 643 H LEU 97 H LEU 97 4.350 0.735 6.514 644 HA LEU 97 HA LEU 97 2.268 0.501 8.378 645 HB2 LEU 97 2HB LEU 97 3.354 2.955 7.021 646 HB3 LEU 97 1HB LEU 97 2.258 2.973 8.389 647 HG LEU 97 HG LEU 97 5.070 1.913 8.370 648 HD11 LEU 97 1HD1 LEU 97 5.518 3.758 9.909 649 HD12 LEU 97 2HD1 LEU 97 3.865 4.333 9.683 650 HD13 LEU 97 3HD1 LEU 97 4.985 4.319 8.325 651 HD21 LEU 97 3HD2 LEU 97 3.010 1.979 10.573 652 HD22 LEU 97 1HD2 LEU 97 4.729 1.608 10.807 653 HD23 LEU 97 2HD2 LEU 97 3.724 0.564 9.805 654 H LEU 98 H LEU 98 2.179 1.752 5.063 655 HA LEU 98 HA LEU 98 -0.628 2.129 5.316 656 HB2 LEU 98 2HB LEU 98 -0.676 2.631 2.977 657 HB3 LEU 98 1HB LEU 98 0.739 3.385 3.680 658 HG LEU 98 HG LEU 98 1.749 1.090 2.940 659 HD11 LEU 98 1HD1 LEU 98 -0.187 0.195 1.875 660 HD12 LEU 98 2HD1 LEU 98 0.957 0.599 0.588 661 HD13 LEU 98 3HD1 LEU 98 -0.411 1.656 0.919 662 HD21 LEU 98 3HD2 LEU 98 2.654 2.293 0.921 663 HD22 LEU 98 1HD2 LEU 98 2.737 3.220 2.418 664 HD23 LEU 98 2HD2 LEU 98 1.478 3.567 1.236 665 H LEU 99 H LEU 99 1.386 -0.617 4.535 666 HA LEU 99 HA LEU 99 -0.528 -2.128 3.153 667 HB2 LEU 99 2HB LEU 99 1.959 -2.517 3.116 668 HB3 LEU 99 1HB LEU 99 1.863 -3.091 4.754 669 HG LEU 99 HG LEU 99 2.156 -4.870 3.018 670 HD11 LEU 99 1HD1 LEU 99 1.288 -5.510 5.173 671 HD12 LEU 99 2HD1 LEU 99 0.502 -6.439 3.893 672 HD13 LEU 99 3HD1 LEU 99 -0.346 -5.094 4.659 673 HD21 LEU 99 3HD2 LEU 99 -0.664 -4.158 2.266 674 HD22 LEU 99 1HD2 LEU 99 0.247 -5.544 1.672 675 HD23 LEU 99 2HD2 LEU 99 0.773 -3.906 1.274 676 H LYS 100 H LYS 100 0.524 -1.958 6.498 677 HA LYS 100 HA LYS 100 -1.318 -3.851 7.366 678 HB2 LYS 100 2HB LYS 100 -0.916 -2.850 9.682 679 HB3 LYS 100 1HB LYS 100 0.504 -3.470 8.845 680 HG2 LYS 100 2HG LYS 100 1.108 -1.228 8.176 681 HG3 LYS 100 1HG LYS 100 -0.328 -0.587 8.957 682 HD2 LYS 100 2HD LYS 100 1.781 -2.117 10.439 683 HD3 LYS 100 1HD LYS 100 1.893 -0.390 10.168 684 HE2 LYS 100 2HE LYS 100 -0.434 -1.760 11.548 685 HE3 LYS 100 1HE LYS 100 0.882 -0.920 12.366 686 HZ1 LYS 100 3HZ LYS 100 -1.020 0.411 10.461 687 HZ2 LYS 100 1HZ LYS 100 0.202 1.149 11.340 688 HZ3 LYS 100 2HZ LYS 100 -1.105 0.482 12.131 689 H ASP 101 H ASP 101 -1.480 -0.435 6.742 690 HA ASP 101 HA ASP 101 -3.952 -0.285 8.112 691 HB2 ASP 101 2HB ASP 101 -2.420 1.748 6.542 692 HB3 ASP 101 1HB ASP 101 -4.098 2.063 6.978 693 H LEU 102 H LEU 102 -3.045 -0.879 4.839 694 HA LEU 102 HA LEU 102 -5.519 -0.637 3.540 695 HB2 LEU 102 2HB LEU 102 -3.285 -2.622 3.075 696 HB3 LEU 102 1HB LEU 102 -4.670 -2.456 2.024 697 HG LEU 102 HG LEU 102 -2.633 -0.282 2.523 698 HD11 LEU 102 1HD1 LEU 102 -1.827 -0.817 0.278 699 HD12 LEU 102 2HD1 LEU 102 -2.960 -2.163 0.182 700 HD13 LEU 102 3HD1 LEU 102 -1.646 -2.197 1.356 701 HD21 LEU 102 3HD2 LEU 102 -4.855 0.542 1.869 702 HD22 LEU 102 1HD2 LEU 102 -4.831 -0.532 0.472 703 HD23 LEU 102 2HD2 LEU 102 -3.668 0.787 0.587 704 H LYS 103 H LYS 103 -4.051 -3.397 5.165 705 HA LYS 103 HA LYS 103 -6.350 -4.996 4.736 706 HB2 LYS 103 2HB LYS 103 -5.214 -6.682 6.163 707 HB3 LYS 103 1HB LYS 103 -4.216 -6.091 4.848 708 HG2 LYS 103 2HG LYS 103 -3.248 -4.481 6.621 709 HG3 LYS 103 1HG LYS 103 -3.955 -5.600 7.784 710 HD2 LYS 103 2HD LYS 103 -1.986 -6.328 5.606 711 HD3 LYS 103 1HD LYS 103 -1.598 -6.136 7.309 712 HE2 LYS 103 2HE LYS 103 -3.021 -8.026 7.864 713 HE3 LYS 103 1HE LYS 103 -3.513 -8.177 6.176 714 HZ1 LYS 103 3HZ LYS 103 -1.781 -9.763 6.775 715 HZ2 LYS 103 1HZ LYS 103 -0.721 -8.519 7.170 716 HZ3 LYS 103 2HZ LYS 103 -1.236 -8.709 5.588 717 H ALA 104 H ALA 104 -5.402 -2.812 7.254 718 HA ALA 104 HA ALA 104 -7.242 -3.751 9.201 719 HB1 ALA 104 1HB ALA 104 -5.300 -2.367 9.794 720 HB2 ALA 104 2HB ALA 104 -6.812 -1.642 10.341 721 HB3 ALA 104 3HB ALA 104 -6.003 -1.017 8.904 722 H LEU 105 H LEU 105 -7.330 -1.340 6.635 723 HA LEU 105 HA LEU 105 -9.864 -0.419 7.395 724 HB2 LEU 105 2HB LEU 105 -9.796 1.061 5.590 725 HB3 LEU 105 1HB LEU 105 -8.096 0.774 5.864 726 HG LEU 105 HG LEU 105 -8.578 -1.101 4.014 727 HD11 LEU 105 1HD1 LEU 105 -10.526 1.084 3.346 728 HD12 LEU 105 2HD1 LEU 105 -10.895 -0.596 3.738 729 HD13 LEU 105 3HD1 LEU 105 -10.022 -0.210 2.256 730 HD21 LEU 105 3HD2 LEU 105 -6.863 0.682 3.965 731 HD22 LEU 105 1HD2 LEU 105 -8.075 1.801 3.370 732 HD23 LEU 105 2HD2 LEU 105 -7.595 0.417 2.376 733 H GLN 106 H GLN 106 -8.601 -2.896 5.279 734 HA GLN 106 HA GLN 106 -10.989 -3.701 4.070 735 HB2 GLN 106 2HB GLN 106 -8.709 -4.513 3.413 736 HB3 GLN 106 1HB GLN 106 -8.671 -5.453 4.897 737 HG2 GLN 106 2HG GLN 106 -10.617 -6.714 4.166 738 HG3 GLN 106 1HG GLN 106 -10.659 -5.783 2.672 739 HE21 GLN 106 1HE2 GLN 106 -9.073 -6.160 1.121 740 HE22 GLN 106 2HE2 GLN 106 -8.094 -7.574 1.150 741 H LYS 107 H LYS 107 -9.653 -4.492 7.220 742 HA LYS 107 HA LYS 107 -11.661 -6.399 7.903 743 HB2 LYS 107 2HB LYS 107 -10.303 -4.499 9.826 744 HB3 LYS 107 1HB LYS 107 -11.037 -6.038 10.216 745 HG2 LYS 107 2HG LYS 107 -8.523 -5.614 8.617 746 HG3 LYS 107 1HG LYS 107 -8.604 -6.104 10.302 747 HD2 LYS 107 2HD LYS 107 -9.767 -8.164 9.612 748 HD3 LYS 107 1HD LYS 107 -9.608 -7.670 7.921 749 HE2 LYS 107 2HE LYS 107 -7.167 -7.628 8.185 750 HE3 LYS 107 1HE LYS 107 -7.339 -8.162 9.852 751 HZ1 LYS 107 3HZ LYS 107 -8.404 -10.202 8.993 752 HZ2 LYS 107 1HZ LYS 107 -6.822 -10.011 8.443 753 HZ3 LYS 107 2HZ LYS 107 -8.078 -9.668 7.415 754 H ARG 108 H ARG 108 -11.510 -2.932 8.040 755 HA ARG 108 HA ARG 108 -13.939 -2.481 9.483 756 HB2 ARG 108 2HB ARG 108 -12.322 -0.737 7.651 757 HB3 ARG 108 1HB ARG 108 -13.830 -0.195 8.356 758 HG2 ARG 108 2HG ARG 108 -12.883 -0.451 10.582 759 HG3 ARG 108 1HG ARG 108 -11.374 -1.033 9.870 760 HD2 ARG 108 2HD ARG 108 -11.340 1.386 10.485 761 HD3 ARG 108 1HD ARG 108 -10.986 1.064 8.788 762 HE ARG 108 HE ARG 108 -13.746 1.556 9.116 763 HH11 ARG 108 1HH1 ARG 108 -10.696 3.315 9.236 764 HH12 ARG 108 2HH1 ARG 108 -11.335 4.787 8.660 765 HH21 ARG 108 1HH2 ARG 108 -14.635 3.557 8.324 766 HH22 ARG 108 2HH2 ARG 108 -13.669 4.942 8.139 767 H VAL 109 H VAL 109 -13.057 -2.469 6.080 768 HA VAL 109 HA VAL 109 -15.624 -1.910 5.214 769 HB VAL 109 HB VAL 109 -13.380 -3.259 3.662 770 HG11 VAL 109 1HG1 VAL 109 -14.592 -2.427 1.654 771 HG12 VAL 109 2HG1 VAL 109 -15.940 -1.976 2.698 772 HG13 VAL 109 3HG1 VAL 109 -15.469 -3.670 2.540 773 HG21 VAL 109 3HG2 VAL 109 -14.261 -0.394 3.845 774 HG22 VAL 109 1HG2 VAL 109 -12.994 -1.016 2.781 775 HG23 VAL 109 2HG2 VAL 109 -12.797 -1.085 4.535 776 H GLN 110 H GLN 110 -13.923 -4.889 5.789 777 HA GLN 110 HA GLN 110 -15.808 -6.724 4.925 778 HB2 GLN 110 2HB GLN 110 -13.536 -7.342 5.479 779 HB3 GLN 110 1HB GLN 110 -13.772 -6.844 7.143 780 HG2 GLN 110 2HG GLN 110 -13.787 -9.216 6.949 781 HG3 GLN 110 1HG GLN 110 -15.363 -8.611 7.464 782 HE21 GLN 110 1HE2 GLN 110 -17.128 -8.791 6.046 783 HE22 GLN 110 2HE2 GLN 110 -17.102 -9.794 4.645 784 H ASP 111 H ASP 111 -15.278 -5.059 7.956 785 HA ASP 111 HA ASP 111 -17.163 -6.357 9.466 786 HB2 ASP 111 2HB ASP 111 -15.424 -5.112 10.541 787 HB3 ASP 111 1HB ASP 111 -15.971 -3.618 9.796 788 H SER 112 H SER 112 -17.391 -3.545 7.388 789 HA SER 112 HA SER 112 -19.741 -2.408 8.250 790 HB2 SER 112 2HB SER 112 -18.109 -1.384 6.673 791 HB3 SER 112 1HB SER 112 -18.649 -2.499 5.424 792 HG SER 112 HG SER 112 -20.660 -1.054 6.645 793 H GLU 113 H GLU 113 -19.285 -5.266 6.225 794 HA GLU 113 HA GLU 113 -22.132 -5.736 6.456 795 HB2 GLU 113 2HB GLU 113 -20.611 -6.029 3.857 796 HB3 GLU 113 1HB GLU 113 -22.225 -6.650 4.134 797 HG2 GLU 113 2HG GLU 113 -22.996 -4.326 4.525 798 HG3 GLU 113 1HG GLU 113 -21.377 -3.765 4.109 Start of MODEL 17 1 H1 ASN 18 1HT ASN 18 10.600 12.964 2.736 2 H2 ASN 18 2HT ASN 18 11.515 11.620 2.306 3 H3 ASN 18 3HT ASN 18 9.828 11.536 2.267 4 HA ASN 18 HA ASN 18 9.677 13.079 0.550 5 HB2 ASN 18 2HB ASN 18 12.683 13.264 0.771 6 HB3 ASN 18 1HB ASN 18 11.785 13.816 -0.638 7 HD21 ASN 18 1HD2 ASN 18 12.417 15.928 -0.333 8 HD22 ASN 18 2HD2 ASN 18 11.773 16.910 0.928 9 H THR 19 H THR 19 12.665 11.113 0.150 10 HA THR 19 HA THR 19 11.848 10.198 -2.339 11 HB THR 19 HB THR 19 13.890 8.919 -0.507 12 HG1 THR 19 1HG THR 19 15.304 10.520 -1.371 13 HG21 THR 19 3HG2 THR 19 13.382 7.730 -2.635 14 HG22 THR 19 1HG2 THR 19 15.013 8.400 -2.634 15 HG23 THR 19 2HG2 THR 19 13.727 9.213 -3.526 16 H ALA 20 H ALA 20 11.642 8.712 0.871 17 HA ALA 20 HA ALA 20 10.595 6.242 -0.046 18 HB1 ALA 20 1HB ALA 20 11.655 6.447 2.133 19 HB2 ALA 20 2HB ALA 20 10.001 5.852 2.312 20 HB3 ALA 20 3HB ALA 20 10.378 7.536 2.661 21 H THR 21 H THR 21 9.016 9.175 1.250 22 HA THR 21 HA THR 21 6.433 8.152 1.108 23 HB THR 21 HB THR 21 5.857 10.667 1.077 24 HG1 THR 21 1HG THR 21 7.529 11.910 0.902 25 HG21 THR 21 3HG2 THR 21 7.335 9.353 3.367 26 HG22 THR 21 1HG2 THR 21 5.608 9.254 3.040 27 HG23 THR 21 2HG2 THR 21 6.325 10.791 3.528 28 H GLN 22 H GLN 22 8.353 9.936 -1.278 29 HA GLN 22 HA GLN 22 6.187 10.189 -3.070 30 HB2 GLN 22 2HB GLN 22 7.770 10.813 -4.784 31 HB3 GLN 22 1HB GLN 22 8.233 11.593 -3.285 32 HG2 GLN 22 2HG GLN 22 9.981 9.989 -2.945 33 HG3 GLN 22 1HG GLN 22 9.488 9.090 -4.370 34 HE21 GLN 22 1HE2 GLN 22 8.973 11.500 -5.924 35 HE22 GLN 22 2HE2 GLN 22 10.518 12.146 -6.328 36 H ARG 23 H ARG 23 8.544 7.691 -2.490 37 HA ARG 23 HA ARG 23 7.959 6.142 -4.743 38 HB2 ARG 23 2HB ARG 23 9.949 5.768 -3.406 39 HB3 ARG 23 1HB ARG 23 8.969 5.321 -2.022 40 HG2 ARG 23 2HG ARG 23 9.979 3.397 -3.141 41 HG3 ARG 23 1HG ARG 23 8.223 3.328 -3.123 42 HD2 ARG 23 2HD ARG 23 9.212 2.646 -5.297 43 HD3 ARG 23 1HD ARG 23 8.099 4.002 -5.420 44 HE ARG 23 HE ARG 23 10.671 5.041 -5.152 45 HH11 ARG 23 1HH1 ARG 23 8.796 3.166 -7.502 46 HH12 ARG 23 2HH1 ARG 23 9.618 3.787 -8.854 47 HH21 ARG 23 1HH2 ARG 23 11.805 5.865 -7.012 48 HH22 ARG 23 2HH2 ARG 23 11.391 5.341 -8.579 49 H PHE 24 H PHE 24 6.357 6.451 -1.639 50 HA PHE 24 HA PHE 24 4.378 4.551 -2.664 51 HB2 PHE 24 2HB PHE 24 5.084 5.158 0.227 52 HB3 PHE 24 1HB PHE 24 3.680 4.205 -0.244 53 HD1 PHE 24 1HD PHE 24 4.797 2.630 -2.485 54 HD2 PHE 24 2HD PHE 24 6.543 3.502 1.346 55 HE1 PHE 24 1HE PHE 24 6.174 0.630 -2.628 56 HE2 PHE 24 2HE PHE 24 7.893 1.518 1.141 57 HZ PHE 24 HZ PHE 24 7.728 0.069 -0.823 58 H HIS 25 H HIS 25 4.355 7.160 -3.538 59 HA HIS 25 HA HIS 25 2.422 8.671 -1.980 60 HB2 HIS 25 2HB HIS 25 2.615 10.468 -3.553 61 HB3 HIS 25 1HB HIS 25 4.226 9.801 -3.427 62 HD1 HIS 25 1HD HIS 25 5.225 8.797 -5.616 63 HD2 HIS 25 2HD HIS 25 1.338 10.145 -6.047 64 HE1 HIS 25 1HE HIS 25 4.828 8.881 -8.067 65 HE2 HIS 25 2HE HIS 25 2.628 10.059 -8.264 66 H GLU 26 H GLU 26 2.452 6.714 -4.826 67 HA GLU 26 HA GLU 26 -0.227 7.237 -5.549 68 HB2 GLU 26 2HB GLU 26 0.056 5.152 -7.002 69 HB3 GLU 26 1HB GLU 26 1.124 6.496 -7.341 70 HG2 GLU 26 2HG GLU 26 2.007 4.201 -5.611 71 HG3 GLU 26 1HG GLU 26 2.086 4.109 -7.365 72 H ILE 27 H ILE 27 1.374 4.965 -3.515 73 HA ILE 27 HA ILE 27 -0.796 3.176 -3.162 74 HB ILE 27 HB ILE 27 1.294 3.750 -1.053 75 HG12 ILE 27 2HG1 ILE 27 2.484 3.411 -3.198 76 HG13 ILE 27 1HG1 ILE 27 2.741 2.066 -2.099 77 HG21 ILE 27 1HG2 ILE 27 -0.237 1.259 -1.807 78 HG22 ILE 27 2HG2 ILE 27 -0.546 2.295 -0.414 79 HG23 ILE 27 3HG2 ILE 27 0.956 1.378 -0.516 80 HD11 ILE 27 3HD1 ILE 27 2.435 1.300 -4.371 81 HD12 ILE 27 1HD1 ILE 27 0.874 2.117 -4.451 82 HD13 ILE 27 2HD1 ILE 27 1.100 0.753 -3.356 83 H GLU 28 H GLU 28 0.322 6.050 -1.449 84 HA GLU 28 HA GLU 28 -1.578 6.126 0.600 85 HB2 GLU 28 2HB GLU 28 0.399 7.555 0.638 86 HB3 GLU 28 1HB GLU 28 -0.132 8.372 -0.822 87 HG2 GLU 28 2HG GLU 28 -2.047 9.299 0.391 88 HG3 GLU 28 1HG GLU 28 -1.508 8.487 1.860 89 H LYS 29 H LYS 29 -1.623 7.414 -2.671 90 HA LYS 29 HA LYS 29 -4.134 8.685 -2.486 91 HB2 LYS 29 2HB LYS 29 -2.723 7.609 -4.929 92 HB3 LYS 29 1HB LYS 29 -4.209 8.539 -4.991 93 HG2 LYS 29 2HG LYS 29 -3.030 10.428 -3.921 94 HG3 LYS 29 1HG LYS 29 -1.538 9.489 -3.974 95 HD2 LYS 29 2HD LYS 29 -1.693 9.354 -6.404 96 HD3 LYS 29 1HD LYS 29 -3.203 10.261 -6.366 97 HE2 LYS 29 2HE LYS 29 -2.022 12.177 -5.391 98 HE3 LYS 29 1HE LYS 29 -0.515 11.267 -5.445 99 HZ1 LYS 29 3HZ LYS 29 -0.729 11.191 -7.891 100 HZ2 LYS 29 1HZ LYS 29 -0.672 12.757 -7.304 101 HZ3 LYS 29 2HZ LYS 29 -2.134 12.106 -7.801 102 H PHE 30 H PHE 30 -3.272 5.443 -3.585 103 HA PHE 30 HA PHE 30 -5.877 4.630 -4.166 104 HB2 PHE 30 2HB PHE 30 -3.410 3.167 -3.408 105 HB3 PHE 30 1HB PHE 30 -4.938 2.292 -3.490 106 HD1 PHE 30 1HD PHE 30 -6.194 2.283 -5.677 107 HD2 PHE 30 2HD PHE 30 -2.189 3.673 -5.361 108 HE1 PHE 30 1HE PHE 30 -5.915 2.011 -8.104 109 HE2 PHE 30 2HE PHE 30 -1.904 3.412 -7.786 110 HZ PHE 30 HZ PHE 30 -3.767 2.577 -9.164 111 H LEU 31 H LEU 31 -4.057 4.372 -1.148 112 HA LEU 31 HA LEU 31 -6.026 2.992 0.279 113 HB2 LEU 31 2HB LEU 31 -3.601 3.330 0.936 114 HB3 LEU 31 1HB LEU 31 -4.012 4.954 1.417 115 HG LEU 31 HG LEU 31 -5.227 2.502 2.726 116 HD11 LEU 31 1HD1 LEU 31 -3.583 2.833 4.515 117 HD12 LEU 31 2HD1 LEU 31 -2.807 4.096 3.562 118 HD13 LEU 31 3HD1 LEU 31 -2.810 2.430 2.983 119 HD21 LEU 31 3HD2 LEU 31 -4.957 5.360 3.683 120 HD22 LEU 31 1HD2 LEU 31 -5.706 4.030 4.568 121 HD23 LEU 31 2HD2 LEU 31 -6.444 4.626 3.081 122 H LEU 32 H LEU 32 -5.520 6.517 -0.046 123 HA LEU 32 HA LEU 32 -7.742 7.014 1.604 124 HB2 LEU 32 2HB LEU 32 -7.583 9.387 0.918 125 HB3 LEU 32 1HB LEU 32 -6.080 8.740 1.525 126 HG LEU 32 HG LEU 32 -5.472 8.501 -0.993 127 HD11 LEU 32 1HD1 LEU 32 -7.658 8.994 -1.924 128 HD12 LEU 32 2HD1 LEU 32 -6.471 10.191 -2.442 129 HD13 LEU 32 3HD1 LEU 32 -7.634 10.595 -1.182 130 HD21 LEU 32 3HD2 LEU 32 -4.352 9.993 0.559 131 HD22 LEU 32 1HD2 LEU 32 -5.629 11.191 0.351 132 HD23 LEU 32 2HD2 LEU 32 -4.578 10.779 -1.004 133 H HIS 33 H HIS 33 -7.369 6.642 -1.820 134 HA HIS 33 HA HIS 33 -9.907 7.459 -2.688 135 HB2 HIS 33 2HB HIS 33 -8.075 6.925 -4.265 136 HB3 HIS 33 1HB HIS 33 -8.130 5.241 -3.773 137 HD1 HIS 33 1HD HIS 33 -9.555 3.706 -5.321 138 HD2 HIS 33 2HD HIS 33 -10.595 7.759 -5.592 139 HE1 HIS 33 1HE HIS 33 -11.278 3.848 -7.043 140 HE2 HIS 33 2HE HIS 33 -11.673 6.273 -7.414 141 H ILE 34 H ILE 34 -8.708 4.309 -1.614 142 HA ILE 34 HA ILE 34 -11.080 2.951 -2.118 143 HB ILE 34 HB ILE 34 -8.666 2.245 -0.439 144 HG12 ILE 34 2HG1 ILE 34 -9.545 1.367 -3.195 145 HG13 ILE 34 1HG1 ILE 34 -8.380 2.637 -2.871 146 HG21 ILE 34 1HG2 ILE 34 -9.444 -0.085 -0.509 147 HG22 ILE 34 2HG2 ILE 34 -10.934 0.434 -1.296 148 HG23 ILE 34 3HG2 ILE 34 -10.591 0.937 0.358 149 HD11 ILE 34 3HD1 ILE 34 -6.989 0.872 -1.718 150 HD12 ILE 34 1HD1 ILE 34 -7.196 0.701 -3.470 151 HD13 ILE 34 2HD1 ILE 34 -8.153 -0.284 -2.395 152 H THR 35 H THR 35 -9.788 4.328 0.858 153 HA THR 35 HA THR 35 -11.861 3.412 2.533 154 HB THR 35 HB THR 35 -10.397 6.013 2.815 155 HG1 THR 35 1HG THR 35 -8.778 4.408 2.592 156 HG21 THR 35 3HG2 THR 35 -11.475 4.099 4.892 157 HG22 THR 35 1HG2 THR 35 -12.257 5.597 4.373 158 HG23 THR 35 2HG2 THR 35 -10.706 5.661 5.196 159 H HIS 36 H HIS 36 -11.496 6.381 0.593 160 HA HIS 36 HA HIS 36 -13.918 7.467 1.544 161 HB2 HIS 36 2HB HIS 36 -12.008 8.847 0.650 162 HB3 HIS 36 1HB HIS 36 -12.501 8.351 -0.968 163 HD1 HIS 36 1HD HIS 36 -14.825 9.305 1.856 164 HD2 HIS 36 2HD HIS 36 -13.614 10.696 -1.871 165 HE1 HIS 36 1HE HIS 36 -16.295 11.263 1.359 166 HE2 HIS 36 2HE HIS 36 -15.805 11.751 -1.046 167 H GLU 37 H GLU 37 -13.114 5.466 -1.192 168 HA GLU 37 HA GLU 37 -15.634 5.666 -2.382 169 HB2 GLU 37 2HB GLU 37 -13.667 3.384 -2.518 170 HB3 GLU 37 1HB GLU 37 -15.118 3.499 -3.500 171 HG2 GLU 37 2HG GLU 37 -12.713 5.296 -3.559 172 HG3 GLU 37 1HG GLU 37 -13.273 4.197 -4.817 173 H VAL 38 H VAL 38 -14.479 3.750 0.341 174 HA VAL 38 HA VAL 38 -16.646 2.056 0.600 175 HB VAL 38 HB VAL 38 -14.925 3.315 2.774 176 HG11 VAL 38 1HG1 VAL 38 -16.669 0.831 2.842 177 HG12 VAL 38 2HG1 VAL 38 -17.040 2.351 3.655 178 HG13 VAL 38 3HG1 VAL 38 -15.645 1.394 4.163 179 HG21 VAL 38 3HG2 VAL 38 -13.619 2.064 1.162 180 HG22 VAL 38 1HG2 VAL 38 -14.677 0.666 1.368 181 HG23 VAL 38 2HG2 VAL 38 -13.681 1.223 2.714 182 H ASP 39 H ASP 39 -16.016 5.352 1.636 183 HA ASP 39 HA ASP 39 -18.370 5.740 3.047 184 HB2 ASP 39 2HB ASP 39 -16.974 7.886 1.399 185 HB3 ASP 39 1HB ASP 39 -18.168 8.203 2.636 186 H ASP 40 H ASP 40 -17.619 6.041 -0.354 187 HA ASP 40 HA ASP 40 -19.982 7.289 -1.264 188 HB2 ASP 40 2HB ASP 40 -17.843 7.465 -2.454 189 HB3 ASP 40 1HB ASP 40 -17.806 5.728 -2.672 190 H LEU 41 H LEU 41 -18.819 3.989 -1.210 191 HA LEU 41 HA LEU 41 -21.077 3.057 -2.561 192 HB2 LEU 41 2HB LEU 41 -20.228 0.775 -2.040 193 HB3 LEU 41 1HB LEU 41 -19.125 1.814 -2.898 194 HG LEU 41 HG LEU 41 -18.128 2.274 -0.592 195 HD11 LEU 41 1HD1 LEU 41 -19.747 1.214 0.809 196 HD12 LEU 41 2HD1 LEU 41 -18.209 0.369 0.967 197 HD13 LEU 41 3HD1 LEU 41 -19.509 -0.330 -0.003 198 HD21 LEU 41 3HD2 LEU 41 -16.907 1.237 -2.322 199 HD22 LEU 41 1HD2 LEU 41 -17.786 -0.273 -2.094 200 HD23 LEU 41 2HD2 LEU 41 -16.656 0.286 -0.854 201 H GLU 42 H GLU 42 -20.225 3.449 0.771 202 HA GLU 42 HA GLU 42 -22.256 1.936 1.865 203 HB2 GLU 42 2HB GLU 42 -20.312 2.709 3.133 204 HB3 GLU 42 1HB GLU 42 -20.868 4.369 2.989 205 HG2 GLU 42 2HG GLU 42 -22.816 3.862 4.278 206 HG3 GLU 42 1HG GLU 42 -22.336 2.166 4.371 207 H LYS 43 H LYS 43 -22.225 5.274 0.633 208 HA LYS 43 HA LYS 43 -24.949 5.603 1.593 209 HB2 LYS 43 2HB LYS 43 -24.866 7.924 0.642 210 HB3 LYS 43 1HB LYS 43 -23.603 7.608 1.804 211 HG2 LYS 43 2HG LYS 43 -22.617 8.911 0.101 212 HG3 LYS 43 1HG LYS 43 -22.049 7.271 -0.185 213 HD2 LYS 43 2HD LYS 43 -23.704 7.003 -1.967 214 HD3 LYS 43 1HD LYS 43 -24.330 8.618 -1.648 215 HE2 LYS 43 2HE LYS 43 -21.518 7.979 -2.563 216 HE3 LYS 43 1HE LYS 43 -22.810 8.552 -3.606 217 HZ1 LYS 43 3HZ LYS 43 -22.902 10.579 -2.232 218 HZ2 LYS 43 1HZ LYS 43 -21.417 10.380 -2.981 219 HZ3 LYS 43 2HZ LYS 43 -21.563 10.043 -1.353 220 H THR 44 H THR 44 -23.529 4.267 -0.894 221 HA THR 44 HA THR 44 -25.450 4.865 -2.970 222 HB THR 44 HB THR 44 -22.806 3.669 -2.687 223 HG1 THR 44 1HG THR 44 -22.365 5.543 -3.204 224 HG21 THR 44 3HG2 THR 44 -23.775 2.110 -4.189 225 HG22 THR 44 1HG2 THR 44 -22.612 3.159 -4.996 226 HG23 THR 44 2HG2 THR 44 -24.360 3.432 -5.250 227 H GLY 45 H GLY 45 -24.271 1.976 -1.243 228 HA2 GLY 45 2HA GLY 45 -26.290 0.448 -0.728 229 HA3 GLY 45 1HA GLY 45 -26.471 0.419 -2.476 230 H ASN 46 H ASN 46 -23.661 0.512 -2.906 231 HA ASN 46 HA ASN 46 -21.822 -0.711 -3.260 232 HB2 ASN 46 2HB ASN 46 -20.663 -1.690 -1.403 233 HB3 ASN 46 1HB ASN 46 -21.517 -0.283 -0.807 234 HD21 ASN 46 1HD2 ASN 46 -23.165 -0.595 0.787 235 HD22 ASN 46 2HD2 ASN 46 -23.350 -2.112 1.565 236 H LYS 47 H LYS 47 -24.084 -1.800 -4.383 237 HA LYS 47 HA LYS 47 -24.614 -4.400 -3.773 238 HB2 LYS 47 2HB LYS 47 -25.658 -4.685 -5.958 239 HB3 LYS 47 1HB LYS 47 -26.031 -3.108 -5.285 240 HG2 LYS 47 2HG LYS 47 -24.436 -2.058 -6.752 241 HG3 LYS 47 1HG LYS 47 -23.902 -3.621 -7.360 242 HD2 LYS 47 2HD LYS 47 -25.379 -2.667 -8.991 243 HD3 LYS 47 1HD LYS 47 -26.234 -3.995 -8.213 244 HE2 LYS 47 2HE LYS 47 -27.745 -2.144 -8.464 245 HE3 LYS 47 1HE LYS 47 -27.362 -2.320 -6.756 246 HZ1 LYS 47 3HZ LYS 47 -27.277 0.009 -7.399 247 HZ2 LYS 47 1HZ LYS 47 -26.170 -0.340 -8.618 248 HZ3 LYS 47 2HZ LYS 47 -25.724 -0.502 -7.020 249 H ASP 48 H ASP 48 -21.891 -3.265 -5.481 250 HA ASP 48 HA ASP 48 -20.694 -5.921 -5.529 251 HB2 ASP 48 2HB ASP 48 -21.888 -5.846 -7.707 252 HB3 ASP 48 1HB ASP 48 -20.994 -4.397 -8.134 253 H GLU 49 H GLU 49 -20.528 -2.542 -5.689 254 HA GLU 49 HA GLU 49 -17.907 -2.025 -6.588 255 HB2 GLU 49 2HB GLU 49 -19.567 -0.403 -4.674 256 HB3 GLU 49 1HB GLU 49 -18.234 0.156 -5.671 257 HG2 GLU 49 2HG GLU 49 -20.900 -0.816 -6.669 258 HG3 GLU 49 1HG GLU 49 -20.376 0.865 -6.569 259 H LYS 50 H LYS 50 -19.061 -2.779 -3.362 260 HA LYS 50 HA LYS 50 -16.655 -1.825 -2.229 261 HB2 LYS 50 2HB LYS 50 -18.670 -1.960 -0.955 262 HB3 LYS 50 1HB LYS 50 -18.675 -3.710 -1.089 263 HG2 LYS 50 2HG LYS 50 -16.717 -3.895 0.230 264 HG3 LYS 50 1HG LYS 50 -16.451 -2.150 0.173 265 HD2 LYS 50 2HD LYS 50 -17.371 -2.620 2.256 266 HD3 LYS 50 1HD LYS 50 -18.582 -1.860 1.211 267 HE2 LYS 50 2HE LYS 50 -19.571 -3.735 2.525 268 HE3 LYS 50 1HE LYS 50 -19.666 -3.985 0.784 269 HZ1 LYS 50 3HZ LYS 50 -17.617 -5.165 2.580 270 HZ2 LYS 50 1HZ LYS 50 -17.775 -5.502 0.927 271 HZ3 LYS 50 2HZ LYS 50 -18.973 -5.958 1.994 272 H ALA 51 H ALA 51 -17.775 -5.040 -2.685 273 HA ALA 51 HA ALA 51 -15.381 -6.397 -2.178 274 HB1 ALA 51 1HB ALA 51 -17.430 -7.176 -4.250 275 HB2 ALA 51 2HB ALA 51 -17.486 -7.602 -2.534 276 HB3 ALA 51 3HB ALA 51 -16.208 -8.244 -3.564 277 H ARG 52 H ARG 52 -16.434 -4.895 -5.180 278 HA ARG 52 HA ARG 52 -14.192 -5.691 -6.702 279 HB2 ARG 52 2HB ARG 52 -16.272 -4.930 -7.742 280 HB3 ARG 52 1HB ARG 52 -16.029 -3.328 -7.067 281 HG2 ARG 52 2HG ARG 52 -14.118 -2.962 -8.415 282 HG3 ARG 52 1HG ARG 52 -14.128 -4.626 -8.989 283 HD2 ARG 52 2HD ARG 52 -16.297 -4.238 -10.035 284 HD3 ARG 52 1HD ARG 52 -16.272 -2.566 -9.478 285 HE ARG 52 HE ARG 52 -13.959 -3.233 -10.956 286 HH11 ARG 52 1HH1 ARG 52 -17.365 -2.353 -11.325 287 HH12 ARG 52 2HH1 ARG 52 -17.195 -1.693 -12.881 288 HH21 ARG 52 1HH2 ARG 52 -13.696 -2.339 -13.099 289 HH22 ARG 52 2HH2 ARG 52 -15.031 -1.704 -13.925 290 H LEU 53 H LEU 53 -14.859 -2.762 -4.776 291 HA LEU 53 HA LEU 53 -12.507 -1.440 -5.279 292 HB2 LEU 53 2HB LEU 53 -14.467 -0.456 -4.308 293 HB3 LEU 53 1HB LEU 53 -14.349 -1.520 -2.918 294 HG LEU 53 HG LEU 53 -12.209 -0.636 -2.534 295 HD11 LEU 53 1HD1 LEU 53 -11.709 1.708 -3.426 296 HD12 LEU 53 2HD1 LEU 53 -13.114 1.537 -4.470 297 HD13 LEU 53 3HD1 LEU 53 -11.730 0.466 -4.673 298 HD21 LEU 53 3HD2 LEU 53 -13.066 1.421 -1.367 299 HD22 LEU 53 1HD2 LEU 53 -14.024 -0.039 -1.125 300 HD23 LEU 53 2HD2 LEU 53 -14.571 1.198 -2.256 301 H LEU 54 H LEU 54 -13.332 -3.934 -2.903 302 HA LEU 54 HA LEU 54 -10.908 -3.906 -1.495 303 HB2 LEU 54 2HB LEU 54 -12.813 -6.204 -1.957 304 HB3 LEU 54 1HB LEU 54 -11.473 -6.248 -0.828 305 HG LEU 54 HG LEU 54 -13.857 -4.406 -0.652 306 HD11 LEU 54 1HD1 LEU 54 -14.414 -6.700 -0.126 307 HD12 LEU 54 2HD1 LEU 54 -14.417 -5.701 1.329 308 HD13 LEU 54 3HD1 LEU 54 -13.064 -6.783 1.005 309 HD21 LEU 54 3HD2 LEU 54 -11.884 -3.317 0.239 310 HD22 LEU 54 1HD2 LEU 54 -11.497 -4.756 1.191 311 HD23 LEU 54 2HD2 LEU 54 -12.947 -3.822 1.546 312 H ARG 55 H ARG 55 -11.842 -5.299 -4.454 313 HA ARG 55 HA ARG 55 -9.522 -6.915 -4.821 314 HB2 ARG 55 2HB ARG 55 -11.579 -7.366 -6.078 315 HB3 ARG 55 1HB ARG 55 -11.484 -5.792 -6.835 316 HG2 ARG 55 2HG ARG 55 -9.592 -6.444 -8.125 317 HG3 ARG 55 1HG ARG 55 -9.422 -7.949 -7.213 318 HD2 ARG 55 2HD ARG 55 -11.829 -7.221 -8.885 319 HD3 ARG 55 1HD ARG 55 -10.511 -8.258 -9.431 320 HE ARG 55 HE ARG 55 -11.081 -9.783 -7.640 321 HH11 ARG 55 1HH1 ARG 55 -13.638 -7.517 -8.632 322 HH12 ARG 55 2HH1 ARG 55 -14.913 -8.491 -8.062 323 HH21 ARG 55 1HH2 ARG 55 -12.863 -11.129 -6.888 324 HH22 ARG 55 2HH2 ARG 55 -14.465 -10.586 -7.027 325 H GLU 56 H GLU 56 -10.394 -3.586 -5.546 326 HA GLU 56 HA GLU 56 -8.102 -2.882 -6.971 327 HB2 GLU 56 2HB GLU 56 -10.041 -1.412 -6.962 328 HB3 GLU 56 1HB GLU 56 -9.916 -1.191 -5.222 329 HG2 GLU 56 2HG GLU 56 -7.854 -0.028 -5.477 330 HG3 GLU 56 1HG GLU 56 -7.853 -0.324 -7.215 331 H LEU 57 H LEU 57 -8.723 -2.973 -3.451 332 HA LEU 57 HA LEU 57 -6.159 -1.865 -2.905 333 HB2 LEU 57 2HB LEU 57 -6.477 -2.311 -0.547 334 HB3 LEU 57 1HB LEU 57 -7.958 -1.663 -1.171 335 HG LEU 57 HG LEU 57 -8.749 -4.135 -1.185 336 HD11 LEU 57 1HD1 LEU 57 -6.452 -4.286 0.766 337 HD12 LEU 57 2HD1 LEU 57 -6.570 -5.157 -0.763 338 HD13 LEU 57 3HD1 LEU 57 -7.704 -5.509 0.542 339 HD21 LEU 57 3HD2 LEU 57 -9.444 -3.895 1.141 340 HD22 LEU 57 1HD2 LEU 57 -9.623 -2.385 0.249 341 HD23 LEU 57 2HD2 LEU 57 -8.268 -2.599 1.357 342 H THR 58 H THR 58 -7.372 -5.026 -3.360 343 HA THR 58 HA THR 58 -5.160 -6.442 -2.527 344 HB THR 58 HB THR 58 -7.137 -7.111 -4.727 345 HG1 THR 58 1HG THR 58 -8.215 -6.907 -2.795 346 HG21 THR 58 3HG2 THR 58 -6.509 -9.472 -4.316 347 HG22 THR 58 1HG2 THR 58 -5.258 -8.936 -3.198 348 HG23 THR 58 2HG2 THR 58 -5.137 -8.535 -4.910 349 H VAL 59 H VAL 59 -5.938 -4.996 -5.653 350 HA VAL 59 HA VAL 59 -3.561 -5.795 -6.974 351 HB VAL 59 HB VAL 59 -5.270 -3.341 -7.557 352 HG11 VAL 59 1HG1 VAL 59 -4.340 -3.440 -9.810 353 HG12 VAL 59 2HG1 VAL 59 -3.372 -4.843 -9.358 354 HG13 VAL 59 3HG1 VAL 59 -3.044 -3.280 -8.618 355 HG21 VAL 59 3HG2 VAL 59 -6.373 -4.738 -9.248 356 HG22 VAL 59 1HG2 VAL 59 -6.601 -5.382 -7.623 357 HG23 VAL 59 2HG2 VAL 59 -5.429 -6.126 -8.713 358 H SER 60 H SER 60 -4.432 -2.905 -5.135 359 HA SER 60 HA SER 60 -2.054 -1.476 -5.448 360 HB2 SER 60 2HB SER 60 -3.911 -1.491 -3.056 361 HB3 SER 60 1HB SER 60 -2.764 -0.217 -3.475 362 HG SER 60 HG SER 60 -5.124 -0.973 -4.877 363 H GLU 61 H GLU 61 -2.987 -3.850 -3.187 364 HA GLU 61 HA GLU 61 -0.740 -3.853 -1.498 365 HB2 GLU 61 2HB GLU 61 -3.014 -4.815 -1.043 366 HB3 GLU 61 1HB GLU 61 -2.630 -6.123 -2.131 367 HG2 GLU 61 2HG GLU 61 -0.768 -5.676 0.102 368 HG3 GLU 61 1HG GLU 61 -2.393 -6.228 0.498 369 H ALA 62 H ALA 62 -1.468 -5.357 -4.533 370 HA ALA 62 HA ALA 62 0.665 -7.218 -4.516 371 HB1 ALA 62 1HB ALA 62 -0.867 -6.131 -6.875 372 HB2 ALA 62 2HB ALA 62 -1.315 -7.554 -5.930 373 HB3 ALA 62 3HB ALA 62 0.169 -7.554 -6.882 374 H PHE 63 H PHE 63 0.348 -3.950 -5.902 375 HA PHE 63 HA PHE 63 3.043 -4.294 -6.768 376 HB2 PHE 63 2HB PHE 63 2.945 -1.798 -7.514 377 HB3 PHE 63 1HB PHE 63 2.080 -3.014 -8.432 378 HD1 PHE 63 2HD PHE 63 1.628 -0.495 -5.754 379 HD2 PHE 63 1HD PHE 63 -0.130 -2.736 -8.899 380 HE1 PHE 63 2HE PHE 63 -0.456 0.780 -5.507 381 HE2 PHE 63 1HE PHE 63 -2.206 -1.458 -8.656 382 HZ PHE 63 HZ PHE 63 -2.374 0.256 -6.938 383 H ILE 64 H ILE 64 1.582 -2.873 -4.025 384 HA ILE 64 HA ILE 64 3.946 -1.567 -3.206 385 HB ILE 64 HB ILE 64 1.482 -1.353 -2.239 386 HG12 ILE 64 2HG1 ILE 64 3.400 0.005 -1.507 387 HG13 ILE 64 1HG1 ILE 64 2.237 -0.311 -0.231 388 HG21 ILE 64 1HG2 ILE 64 1.047 -2.531 -0.163 389 HG22 ILE 64 2HG2 ILE 64 2.559 -3.417 -0.356 390 HG23 ILE 64 3HG2 ILE 64 1.254 -3.660 -1.510 391 HD11 ILE 64 3HD1 ILE 64 4.555 -0.379 0.587 392 HD12 ILE 64 1HD1 ILE 64 4.926 -1.662 -0.558 393 HD13 ILE 64 2HD1 ILE 64 3.785 -1.950 0.757 394 H GLU 65 H GLU 65 2.792 -4.894 -2.906 395 HA GLU 65 HA GLU 65 4.865 -5.844 -1.263 396 HB2 GLU 65 2HB GLU 65 2.817 -7.135 -1.770 397 HB3 GLU 65 1HB GLU 65 3.352 -7.299 -3.439 398 HG2 GLU 65 2HG GLU 65 5.360 -8.466 -2.629 399 HG3 GLU 65 1HG GLU 65 4.691 -8.404 -0.999 400 H GLY 66 H GLY 66 4.550 -5.408 -4.723 401 HA2 GLY 66 2HA GLY 66 6.959 -6.623 -5.514 402 HA3 GLY 66 1HA GLY 66 6.069 -5.413 -6.434 403 H SER 67 H SER 67 6.194 -3.245 -4.735 404 HA SER 67 HA SER 67 8.819 -2.372 -5.280 405 HB2 SER 67 2HB SER 67 7.937 -0.259 -4.050 406 HB3 SER 67 1HB SER 67 7.194 -0.714 -5.583 407 HG SER 67 HG SER 67 5.433 -1.403 -4.565 408 H ARG 68 H ARG 68 7.134 -3.479 -2.438 409 HA ARG 68 HA ARG 68 9.194 -2.807 -0.680 410 HB2 ARG 68 2HB ARG 68 6.971 -3.398 0.191 411 HB3 ARG 68 1HB ARG 68 7.149 -5.030 -0.438 412 HG2 ARG 68 2HG ARG 68 9.036 -5.385 1.106 413 HG3 ARG 68 1HG ARG 68 8.766 -3.772 1.762 414 HD2 ARG 68 2HD ARG 68 6.488 -4.455 2.402 415 HD3 ARG 68 1HD ARG 68 6.844 -6.090 1.833 416 HE ARG 68 HE ARG 68 8.854 -5.598 3.544 417 HH11 ARG 68 1HH1 ARG 68 5.298 -5.641 3.878 418 HH12 ARG 68 2HH1 ARG 68 5.386 -5.673 5.595 419 HH21 ARG 68 1HH2 ARG 68 8.844 -5.754 5.946 420 HH22 ARG 68 2HH2 ARG 68 7.318 -5.803 6.707 421 H GLY 69 H GLY 69 8.548 -5.681 -2.533 422 HA2 GLY 69 2HA GLY 69 10.771 -7.151 -1.645 423 HA3 GLY 69 1HA GLY 69 9.928 -7.386 -3.174 424 H TYR 70 H TYR 70 10.452 -4.454 -3.725 425 HA TYR 70 HA TYR 70 12.760 -4.933 -5.364 426 HB2 TYR 70 2HB TYR 70 10.849 -3.439 -6.028 427 HB3 TYR 70 1HB TYR 70 11.358 -2.308 -4.783 428 HD1 TYR 70 2HD TYR 70 13.464 -1.008 -5.076 429 HD2 TYR 70 1HD TYR 70 11.997 -3.615 -8.099 430 HE1 TYR 70 2HE TYR 70 14.942 0.067 -6.720 431 HE2 TYR 70 1HE TYR 70 13.459 -2.540 -9.740 432 HH TYR 70 HH TYR 70 14.615 -0.560 -10.098 433 H PHE 71 H PHE 71 11.999 -2.934 -2.605 434 HA PHE 71 HA PHE 71 14.594 -1.950 -2.315 435 HB2 PHE 71 2HB PHE 71 12.269 -1.980 -0.416 436 HB3 PHE 71 1HB PHE 71 13.816 -1.251 0.013 437 HD1 PHE 71 2HD PHE 71 14.767 0.300 -1.917 438 HD2 PHE 71 1HD PHE 71 10.671 -0.564 -1.256 439 HE1 PHE 71 2HE PHE 71 14.166 2.349 -3.115 440 HE2 PHE 71 1HE PHE 71 10.045 1.472 -2.463 441 HZ PHE 71 HZ PHE 71 11.826 2.946 -3.404 442 H GLN 72 H GLN 72 12.910 -4.645 -0.923 443 HA GLN 72 HA GLN 72 14.786 -5.553 0.895 444 HB2 GLN 72 2HB GLN 72 12.475 -6.398 0.599 445 HB3 GLN 72 1HB GLN 72 12.961 -7.141 -0.916 446 HG2 GLN 72 2HG GLN 72 12.857 -8.777 0.785 447 HG3 GLN 72 1HG GLN 72 14.537 -8.517 0.284 448 HE21 GLN 72 1HE2 GLN 72 15.349 -9.317 2.196 449 HE22 GLN 72 2HE2 GLN 72 15.269 -8.470 3.698 450 H ARG 73 H ARG 73 14.531 -6.114 -2.610 451 HA ARG 73 HA ARG 73 16.829 -7.779 -2.865 452 HB2 ARG 73 2HB ARG 73 15.162 -6.205 -4.767 453 HB3 ARG 73 1HB ARG 73 16.769 -6.652 -5.295 454 HG2 ARG 73 2HG ARG 73 15.045 -8.175 -6.073 455 HG3 ARG 73 1HG ARG 73 16.234 -8.995 -5.052 456 HD2 ARG 73 2HD ARG 73 14.668 -8.961 -3.208 457 HD3 ARG 73 1HD ARG 73 13.539 -8.003 -4.157 458 HE ARG 73 HE ARG 73 14.072 -10.335 -5.563 459 HH11 ARG 73 1HH1 ARG 73 12.533 -9.377 -2.554 460 HH12 ARG 73 2HH1 ARG 73 11.376 -10.636 -2.553 461 HH21 ARG 73 1HH2 ARG 73 12.498 -12.024 -5.625 462 HH22 ARG 73 2HH2 ARG 73 11.363 -12.204 -4.360 463 H GLU 74 H GLU 74 16.366 -4.319 -3.030 464 HA GLU 74 HA GLU 74 18.974 -3.670 -3.831 465 HB2 GLU 74 2HB GLU 74 17.019 -2.009 -2.242 466 HB3 GLU 74 1HB GLU 74 18.515 -1.389 -2.917 467 HG2 GLU 74 2HG GLU 74 16.207 -2.526 -4.481 468 HG3 GLU 74 1HG GLU 74 16.608 -0.819 -4.308 469 H LEU 75 H LEU 75 17.686 -4.315 -0.668 470 HA LEU 75 HA LEU 75 19.917 -3.522 0.859 471 HB2 LEU 75 2HB LEU 75 17.852 -5.657 1.359 472 HB3 LEU 75 1HB LEU 75 19.045 -5.166 2.537 473 HG LEU 75 HG LEU 75 16.940 -3.323 1.389 474 HD11 LEU 75 1HD1 LEU 75 15.868 -3.556 3.566 475 HD12 LEU 75 2HD1 LEU 75 17.071 -4.758 4.039 476 HD13 LEU 75 3HD1 LEU 75 15.937 -5.108 2.731 477 HD21 LEU 75 3HD2 LEU 75 19.006 -2.227 2.197 478 HD22 LEU 75 1HD2 LEU 75 18.784 -3.020 3.751 479 HD23 LEU 75 2HD2 LEU 75 17.599 -1.842 3.193 480 H LYS 76 H LYS 76 19.502 -6.122 -1.292 481 HA LYS 76 HA LYS 76 21.716 -7.612 -0.088 482 HB2 LYS 76 2HB LYS 76 19.715 -8.601 -2.125 483 HB3 LYS 76 1HB LYS 76 20.907 -9.565 -1.274 484 HG2 LYS 76 2HG LYS 76 18.507 -8.202 -0.062 485 HG3 LYS 76 1HG LYS 76 18.703 -9.926 -0.349 486 HD2 LYS 76 2HD LYS 76 20.547 -9.988 1.273 487 HD3 LYS 76 1HD LYS 76 20.372 -8.252 1.541 488 HE2 LYS 76 2HE LYS 76 18.070 -8.613 2.331 489 HE3 LYS 76 1HE LYS 76 18.268 -10.343 2.070 490 HZ1 LYS 76 3HZ LYS 76 19.990 -10.370 3.757 491 HZ2 LYS 76 1HZ LYS 76 18.548 -9.761 4.368 492 HZ3 LYS 76 2HZ LYS 76 19.804 -8.709 4.018 493 H ARG 77 H ARG 77 21.094 -5.432 -2.407 494 HA ARG 77 HA ARG 77 22.254 -6.469 -4.782 495 HB2 ARG 77 2HB ARG 77 20.683 -4.467 -4.498 496 HB3 ARG 77 1HB ARG 77 22.135 -3.587 -4.023 497 HG2 ARG 77 2HG ARG 77 23.148 -3.944 -6.156 498 HG3 ARG 77 1HG ARG 77 21.819 -4.983 -6.665 499 HD2 ARG 77 2HD ARG 77 20.271 -3.089 -6.450 500 HD3 ARG 77 1HD ARG 77 21.617 -2.050 -5.991 501 HE ARG 77 HE ARG 77 22.428 -3.062 -8.333 502 HH11 ARG 77 1HH1 ARG 77 19.358 -1.505 -7.400 503 HH12 ARG 77 2HH1 ARG 77 19.109 -0.819 -8.934 504 HH21 ARG 77 1HH2 ARG 77 22.074 -2.042 -10.416 505 HH22 ARG 77 2HH2 ARG 77 20.693 -1.105 -10.663 506 H THR 78 H THR 78 23.624 -5.106 -1.932 507 HA THR 78 HA THR 78 25.671 -4.576 -1.245 508 HB THR 78 HB THR 78 26.697 -5.545 -3.944 509 HG1 THR 78 1HG THR 78 25.569 -6.829 -1.953 510 HG21 THR 78 3HG2 THR 78 28.854 -5.803 -2.793 511 HG22 THR 78 1HG2 THR 78 28.142 -5.193 -1.295 512 HG23 THR 78 2HG2 THR 78 28.316 -4.128 -2.687 513 H ASP 79 H ASP 79 24.693 -3.443 -4.368 514 HA ASP 79 HA ASP 79 26.153 -0.990 -4.209 515 HB2 ASP 79 2HB ASP 79 24.003 -1.975 -6.062 516 HB3 ASP 79 1HB ASP 79 24.432 -0.274 -6.047 517 H LEU 80 H LEU 80 25.406 -0.831 -2.004 518 HA LEU 80 HA LEU 80 23.693 1.510 -1.711 519 HB2 LEU 80 2HB LEU 80 22.115 0.623 -0.277 520 HB3 LEU 80 1HB LEU 80 22.170 -0.618 -1.511 521 HG LEU 80 HG LEU 80 23.679 -0.762 1.064 522 HD11 LEU 80 1HD1 LEU 80 21.862 -2.284 1.848 523 HD12 LEU 80 2HD1 LEU 80 20.990 -1.937 0.351 524 HD13 LEU 80 3HD1 LEU 80 21.266 -0.653 1.518 525 HD21 LEU 80 3HD2 LEU 80 24.524 -2.265 -0.654 526 HD22 LEU 80 1HD2 LEU 80 22.907 -2.919 -0.911 527 HD23 LEU 80 2HD2 LEU 80 23.737 -3.195 0.620 528 H ASP 81 H ASP 81 24.117 2.554 -0.214 529 HA ASP 81 HA ASP 81 26.351 1.881 1.543 530 HB2 ASP 81 2HB ASP 81 26.744 3.885 0.158 531 HB3 ASP 81 1HB ASP 81 25.164 4.523 0.584 532 H LEU 82 H LEU 82 25.862 2.967 3.768 533 HA LEU 82 HA LEU 82 23.494 2.045 4.779 534 HB2 LEU 82 2HB LEU 82 23.975 3.421 6.806 535 HB3 LEU 82 1HB LEU 82 25.326 2.457 6.280 536 HG LEU 82 HG LEU 82 26.180 4.632 5.168 537 HD11 LEU 82 1HD1 LEU 82 25.514 6.690 6.247 538 HD12 LEU 82 2HD1 LEU 82 24.254 5.831 7.139 539 HD13 LEU 82 3HD1 LEU 82 24.167 5.953 5.380 540 HD21 LEU 82 3HD2 LEU 82 27.281 3.606 7.046 541 HD22 LEU 82 1HD2 LEU 82 26.112 4.323 8.159 542 HD23 LEU 82 2HD2 LEU 82 27.223 5.354 7.266 543 H LEU 83 H LEU 83 24.200 5.039 3.233 544 HA LEU 83 HA LEU 83 22.020 6.698 3.818 545 HB2 LEU 83 2HB LEU 83 24.049 7.118 2.388 546 HB3 LEU 83 1HB LEU 83 23.221 6.148 1.178 547 HG LEU 83 HG LEU 83 21.275 7.770 1.470 548 HD11 LEU 83 1HD1 LEU 83 21.866 10.049 2.067 549 HD12 LEU 83 2HD1 LEU 83 23.453 9.485 2.593 550 HD13 LEU 83 3HD1 LEU 83 21.997 8.918 3.413 551 HD21 LEU 83 3HD2 LEU 83 22.540 7.536 -0.492 552 HD22 LEU 83 1HD2 LEU 83 23.799 8.630 0.112 553 HD23 LEU 83 2HD2 LEU 83 22.149 9.238 -0.200 554 H GLU 84 H GLU 84 22.496 4.358 1.269 555 HA GLU 84 HA GLU 84 19.964 4.785 0.073 556 HB2 GLU 84 2HB GLU 84 22.045 2.645 -0.307 557 HB3 GLU 84 1HB GLU 84 20.640 2.872 -1.353 558 HG2 GLU 84 2HG GLU 84 21.427 5.041 -2.019 559 HG3 GLU 84 1HG GLU 84 22.748 4.955 -0.857 560 H LYS 85 H LYS 85 21.437 2.441 2.123 561 HA LYS 85 HA LYS 85 19.364 0.617 2.427 562 HB2 LYS 85 2HB LYS 85 21.685 0.282 3.281 563 HB3 LYS 85 1HB LYS 85 21.384 1.523 4.483 564 HG2 LYS 85 2HG LYS 85 19.658 0.163 5.498 565 HG3 LYS 85 1HG LYS 85 19.897 -1.078 4.273 566 HD2 LYS 85 2HD LYS 85 22.185 -1.417 5.041 567 HD3 LYS 85 1HD LYS 85 21.976 -0.143 6.249 568 HE2 LYS 85 2HE LYS 85 20.184 -1.429 7.289 569 HE3 LYS 85 1HE LYS 85 20.394 -2.703 6.092 570 HZ1 LYS 85 3HZ LYS 85 22.447 -1.819 8.029 571 HZ2 LYS 85 1HZ LYS 85 22.609 -3.087 6.931 572 HZ3 LYS 85 2HZ LYS 85 21.489 -3.200 8.192 573 H PHE 86 H PHE 86 20.065 3.709 3.968 574 HA PHE 86 HA PHE 86 18.152 3.552 5.856 575 HB2 PHE 86 2HB PHE 86 19.863 5.215 6.076 576 HB3 PHE 86 1HB PHE 86 19.378 5.992 4.581 577 HD1 PHE 86 1HD PHE 86 18.207 5.256 8.024 578 HD2 PHE 86 2HD PHE 86 17.887 7.788 4.622 579 HE1 PHE 86 1HE PHE 86 16.788 6.800 9.311 580 HE2 PHE 86 2HE PHE 86 16.465 9.334 5.898 581 HZ PHE 86 HZ PHE 86 15.915 8.841 8.245 582 H ASN 87 H ASN 87 17.959 4.592 2.591 583 HA ASN 87 HA ASN 87 15.319 5.640 2.729 584 HB2 ASN 87 2HB ASN 87 16.696 6.657 1.074 585 HB3 ASN 87 1HB ASN 87 17.192 5.102 0.423 586 HD21 ASN 87 1HD2 ASN 87 16.044 4.231 -1.184 587 HD22 ASN 87 2HD2 ASN 87 14.577 4.883 -1.832 588 H PHE 88 H PHE 88 16.812 2.601 1.855 589 HA PHE 88 HA PHE 88 14.431 1.467 0.799 590 HB2 PHE 88 2HB PHE 88 16.677 -0.087 2.088 591 HB3 PHE 88 1HB PHE 88 15.523 -0.696 0.918 592 HD1 PHE 88 1HD PHE 88 15.754 1.808 -0.923 593 HD2 PHE 88 2HD PHE 88 18.568 -0.760 0.942 594 HE1 PHE 88 1HE PHE 88 17.399 2.366 -2.639 595 HE2 PHE 88 2HE PHE 88 20.210 -0.200 -0.767 596 HZ PHE 88 HZ PHE 88 19.643 1.381 -2.519 597 H GLU 89 H GLU 89 16.006 1.440 3.965 598 HA GLU 89 HA GLU 89 13.980 -0.134 5.114 599 HB2 GLU 89 2HB GLU 89 15.944 1.741 6.452 600 HB3 GLU 89 1HB GLU 89 14.911 0.589 7.286 601 HG2 GLU 89 2HG GLU 89 16.037 -1.220 5.968 602 HG3 GLU 89 1HG GLU 89 17.179 -0.003 5.411 603 H ALA 90 H ALA 90 14.439 3.256 4.452 604 HA ALA 90 HA ALA 90 12.386 4.104 6.247 605 HB1 ALA 90 1HB ALA 90 13.302 5.507 3.726 606 HB2 ALA 90 2HB ALA 90 14.009 5.721 5.327 607 HB3 ALA 90 3HB ALA 90 12.348 6.234 5.021 608 H ALA 91 H ALA 91 12.442 3.319 2.849 609 HA ALA 91 HA ALA 91 9.679 3.731 2.413 610 HB1 ALA 91 1HB ALA 91 10.064 2.653 0.268 611 HB2 ALA 91 2HB ALA 91 11.636 2.069 0.838 612 HB3 ALA 91 3HB ALA 91 11.368 3.790 0.623 613 H LEU 92 H LEU 92 11.563 0.840 3.141 614 HA LEU 92 HA LEU 92 9.479 -1.014 2.953 615 HB2 LEU 92 2HB LEU 92 11.828 -1.039 4.852 616 HB3 LEU 92 1HB LEU 92 10.729 -2.380 4.638 617 HG LEU 92 HG LEU 92 12.564 -1.263 2.517 618 HD11 LEU 92 1HD1 LEU 92 13.779 -2.396 4.291 619 HD12 LEU 92 2HD1 LEU 92 13.787 -3.355 2.808 620 HD13 LEU 92 3HD1 LEU 92 12.717 -3.795 4.139 621 HD21 LEU 92 3HD2 LEU 92 10.763 -3.674 2.519 622 HD22 LEU 92 1HD2 LEU 92 11.933 -3.272 1.264 623 HD23 LEU 92 2HD2 LEU 92 10.556 -2.211 1.548 624 H ALA 93 H ALA 93 10.415 1.046 5.639 625 HA ALA 93 HA ALA 93 8.473 -0.094 7.350 626 HB1 ALA 93 1HB ALA 93 10.490 1.018 8.242 627 HB2 ALA 93 2HB ALA 93 9.005 1.698 8.908 628 HB3 ALA 93 3HB ALA 93 9.878 2.557 7.640 629 H THR 94 H THR 94 8.456 2.472 5.062 630 HA THR 94 HA THR 94 6.116 3.652 6.036 631 HB THR 94 HB THR 94 7.345 3.794 3.262 632 HG1 THR 94 1HG THR 94 8.732 4.592 4.862 633 HG21 THR 94 3HG2 THR 94 5.318 5.616 4.593 634 HG22 THR 94 1HG2 THR 94 4.981 4.512 3.259 635 HG23 THR 94 2HG2 THR 94 6.059 5.886 3.015 636 H GLY 95 H GLY 95 6.927 1.386 3.474 637 HA2 GLY 95 2HA GLY 95 4.350 0.962 2.463 638 HA3 GLY 95 1HA GLY 95 5.756 -0.075 2.250 639 H ASP 96 H ASP 96 6.292 -0.820 4.824 640 HA ASP 96 HA ASP 96 4.525 -2.958 5.143 641 HB2 ASP 96 2HB ASP 96 6.808 -3.093 5.926 642 HB3 ASP 96 1HB ASP 96 6.516 -1.818 7.099 643 H LEU 97 H LEU 97 4.676 0.100 6.911 644 HA LEU 97 HA LEU 97 2.735 -0.725 8.825 645 HB2 LEU 97 2HB LEU 97 2.752 1.463 9.695 646 HB3 LEU 97 1HB LEU 97 4.368 1.240 9.071 647 HG LEU 97 HG LEU 97 3.120 2.407 6.951 648 HD11 LEU 97 1HD1 LEU 97 1.063 2.797 8.116 649 HD12 LEU 97 2HD1 LEU 97 1.860 4.330 7.762 650 HD13 LEU 97 3HD1 LEU 97 1.913 3.666 9.396 651 HD21 LEU 97 3HD2 LEU 97 5.243 2.963 7.825 652 HD22 LEU 97 1HD2 LEU 97 4.514 3.802 9.208 653 HD23 LEU 97 2HD2 LEU 97 4.266 4.410 7.546 654 H LEU 98 H LEU 98 2.467 1.166 5.830 655 HA LEU 98 HA LEU 98 -0.332 1.428 6.127 656 HB2 LEU 98 2HB LEU 98 -0.364 2.343 3.874 657 HB3 LEU 98 1HB LEU 98 0.913 3.065 4.824 658 HG LEU 98 HG LEU 98 2.312 1.221 3.768 659 HD11 LEU 98 1HD1 LEU 98 0.162 1.513 1.674 660 HD12 LEU 98 2HD1 LEU 98 0.625 0.049 2.545 661 HD13 LEU 98 3HD1 LEU 98 1.743 0.779 1.391 662 HD21 LEU 98 3HD2 LEU 98 2.968 2.779 1.914 663 HD22 LEU 98 1HD2 LEU 98 2.821 3.559 3.487 664 HD23 LEU 98 2HD2 LEU 98 1.535 3.736 2.290 665 H LEU 99 H LEU 99 1.731 -1.025 4.844 666 HA LEU 99 HA LEU 99 -0.159 -2.154 3.185 667 HB2 LEU 99 2HB LEU 99 2.338 -2.587 3.140 668 HB3 LEU 99 1HB LEU 99 2.133 -3.610 4.535 669 HG LEU 99 HG LEU 99 0.886 -4.192 1.834 670 HD11 LEU 99 1HD1 LEU 99 3.311 -4.139 1.659 671 HD12 LEU 99 2HD1 LEU 99 2.699 -5.786 1.527 672 HD13 LEU 99 3HD1 LEU 99 3.441 -5.238 3.031 673 HD21 LEU 99 3HD2 LEU 99 1.364 -5.961 4.247 674 HD22 LEU 99 1HD2 LEU 99 0.688 -6.485 2.703 675 HD23 LEU 99 2HD2 LEU 99 -0.199 -5.347 3.717 676 H LYS 100 H LYS 100 0.844 -2.626 6.515 677 HA LYS 100 HA LYS 100 -1.025 -4.627 7.061 678 HB2 LYS 100 2HB LYS 100 0.714 -2.896 8.765 679 HB3 LYS 100 1HB LYS 100 -0.647 -3.693 9.530 680 HG2 LYS 100 2HG LYS 100 1.362 -5.007 9.831 681 HG3 LYS 100 1HG LYS 100 0.230 -5.871 8.802 682 HD2 LYS 100 2HD LYS 100 1.520 -5.205 6.830 683 HD3 LYS 100 1HD LYS 100 2.634 -4.309 7.860 684 HE2 LYS 100 2HE LYS 100 3.630 -6.437 7.329 685 HE3 LYS 100 1HE LYS 100 3.184 -6.419 9.029 686 HZ1 LYS 100 3HZ LYS 100 2.600 -8.504 7.973 687 HZ2 LYS 100 1HZ LYS 100 1.625 -7.705 6.864 688 HZ3 LYS 100 2HZ LYS 100 1.224 -7.723 8.512 689 H ASP 101 H ASP 101 -1.096 -1.139 6.958 690 HA ASP 101 HA ASP 101 -3.512 -0.923 8.439 691 HB2 ASP 101 2HB ASP 101 -1.977 1.012 8.172 692 HB3 ASP 101 1HB ASP 101 -2.355 1.045 6.450 693 H LEU 102 H LEU 102 -2.681 -1.217 5.109 694 HA LEU 102 HA LEU 102 -5.086 -0.839 3.764 695 HB2 LEU 102 2HB LEU 102 -2.773 -1.022 2.826 696 HB3 LEU 102 1HB LEU 102 -2.830 -2.737 3.134 697 HG LEU 102 HG LEU 102 -4.732 -2.887 1.494 698 HD11 LEU 102 1HD1 LEU 102 -4.957 -1.022 -0.096 699 HD12 LEU 102 2HD1 LEU 102 -3.937 -0.034 0.941 700 HD13 LEU 102 3HD1 LEU 102 -5.514 -0.593 1.524 701 HD21 LEU 102 3HD2 LEU 102 -2.114 -1.781 0.508 702 HD22 LEU 102 1HD2 LEU 102 -3.282 -2.680 -0.459 703 HD23 LEU 102 2HD2 LEU 102 -2.460 -3.468 0.888 704 H LYS 103 H LYS 103 -3.564 -3.789 5.001 705 HA LYS 103 HA LYS 103 -5.779 -5.413 4.353 706 HB2 LYS 103 2HB LYS 103 -3.354 -5.903 6.051 707 HB3 LYS 103 1HB LYS 103 -4.642 -7.096 5.938 708 HG2 LYS 103 2HG LYS 103 -3.148 -5.994 3.561 709 HG3 LYS 103 1HG LYS 103 -2.748 -7.502 4.385 710 HD2 LYS 103 2HD LYS 103 -4.899 -8.440 3.846 711 HD3 LYS 103 1HD LYS 103 -5.457 -6.917 3.173 712 HE2 LYS 103 2HE LYS 103 -4.888 -8.493 1.443 713 HE3 LYS 103 1HE LYS 103 -3.828 -7.092 1.382 714 HZ1 LYS 103 3HZ LYS 103 -2.564 -9.082 1.041 715 HZ2 LYS 103 1HZ LYS 103 -3.191 -9.803 2.424 716 HZ3 LYS 103 2HZ LYS 103 -2.142 -8.503 2.566 717 H ALA 104 H ALA 104 -4.992 -3.593 7.224 718 HA ALA 104 HA ALA 104 -6.900 -4.871 8.889 719 HB1 ALA 104 1HB ALA 104 -5.763 -2.077 9.077 720 HB2 ALA 104 2HB ALA 104 -5.062 -3.518 9.813 721 HB3 ALA 104 3HB ALA 104 -6.629 -2.923 10.359 722 H LEU 105 H LEU 105 -6.967 -2.136 6.684 723 HA LEU 105 HA LEU 105 -9.567 -1.431 7.425 724 HB2 LEU 105 2HB LEU 105 -9.536 0.287 5.843 725 HB3 LEU 105 1HB LEU 105 -7.848 0.106 6.242 726 HG LEU 105 HG LEU 105 -8.011 -1.503 4.103 727 HD11 LEU 105 1HD1 LEU 105 -9.336 -0.416 2.352 728 HD12 LEU 105 2HD1 LEU 105 -10.047 0.638 3.574 729 HD13 LEU 105 3HD1 LEU 105 -10.317 -1.105 3.646 730 HD21 LEU 105 3HD2 LEU 105 -7.663 1.490 3.949 731 HD22 LEU 105 1HD2 LEU 105 -7.001 0.314 2.821 732 HD23 LEU 105 2HD2 LEU 105 -6.418 0.379 4.497 733 H GLN 106 H GLN 106 -8.128 -3.572 5.095 734 HA GLN 106 HA GLN 106 -10.379 -4.135 3.537 735 HB2 GLN 106 2HB GLN 106 -8.285 -4.990 2.779 736 HB3 GLN 106 1HB GLN 106 -8.004 -5.816 4.306 737 HG2 GLN 106 2HG GLN 106 -9.889 -7.293 3.835 738 HG3 GLN 106 1HG GLN 106 -10.095 -6.517 2.268 739 HE21 GLN 106 1HE2 GLN 106 -8.732 -7.027 0.651 740 HE22 GLN 106 2HE2 GLN 106 -7.546 -8.274 0.730 741 H LYS 107 H LYS 107 -9.353 -5.689 6.528 742 HA LYS 107 HA LYS 107 -11.614 -7.411 6.524 743 HB2 LYS 107 2HB LYS 107 -9.728 -6.640 8.748 744 HB3 LYS 107 1HB LYS 107 -11.134 -7.636 9.073 745 HG2 LYS 107 2HG LYS 107 -9.221 -9.073 8.818 746 HG3 LYS 107 1HG LYS 107 -10.274 -9.301 7.426 747 HD2 LYS 107 2HD LYS 107 -8.823 -7.818 6.110 748 HD3 LYS 107 1HD LYS 107 -7.777 -7.612 7.503 749 HE2 LYS 107 2HE LYS 107 -6.798 -9.221 6.022 750 HE3 LYS 107 1HE LYS 107 -7.337 -10.056 7.475 751 HZ1 LYS 107 3HZ LYS 107 -9.250 -10.871 6.293 752 HZ2 LYS 107 1HZ LYS 107 -7.874 -11.240 5.397 753 HZ3 LYS 107 2HZ LYS 107 -8.873 -9.959 4.936 754 H ARG 108 H ARG 108 -11.108 -4.235 7.643 755 HA ARG 108 HA ARG 108 -13.432 -3.838 9.201 756 HB2 ARG 108 2HB ARG 108 -11.556 -2.383 9.418 757 HB3 ARG 108 1HB ARG 108 -11.526 -2.078 7.696 758 HG2 ARG 108 2HG ARG 108 -13.614 -0.802 7.911 759 HG3 ARG 108 1HG ARG 108 -13.573 -1.070 9.660 760 HD2 ARG 108 2HD ARG 108 -11.516 0.107 9.879 761 HD3 ARG 108 1HD ARG 108 -11.299 0.190 8.131 762 HE ARG 108 HE ARG 108 -13.697 1.420 8.922 763 HH11 ARG 108 1HH1 ARG 108 -10.209 1.989 9.048 764 HH12 ARG 108 2HH1 ARG 108 -10.334 3.680 8.838 765 HH21 ARG 108 1HH2 ARG 108 -13.851 3.767 8.697 766 HH22 ARG 108 2HH2 ARG 108 -12.425 4.700 8.623 767 H VAL 109 H VAL 109 -12.588 -3.098 5.855 768 HA VAL 109 HA VAL 109 -15.136 -2.189 5.241 769 HB VAL 109 HB VAL 109 -12.844 -2.898 3.392 770 HG11 VAL 109 1HG1 VAL 109 -14.979 -2.985 2.156 771 HG12 VAL 109 2HG1 VAL 109 -14.008 -1.593 1.670 772 HG13 VAL 109 3HG1 VAL 109 -15.381 -1.377 2.756 773 HG21 VAL 109 3HG2 VAL 109 -12.414 -1.083 4.945 774 HG22 VAL 109 1HG2 VAL 109 -13.877 -0.260 4.408 775 HG23 VAL 109 2HG2 VAL 109 -12.524 -0.485 3.291 776 H GLN 110 H GLN 110 -13.550 -5.261 4.846 777 HA GLN 110 HA GLN 110 -15.325 -6.683 3.287 778 HB2 GLN 110 2HB GLN 110 -13.151 -7.530 3.946 779 HB3 GLN 110 1HB GLN 110 -13.618 -7.507 5.633 780 HG2 GLN 110 2HG GLN 110 -13.572 -9.732 4.762 781 HG3 GLN 110 1HG GLN 110 -15.198 -9.259 5.247 782 HE21 GLN 110 1HE2 GLN 110 -16.094 -10.841 3.957 783 HE22 GLN 110 2HE2 GLN 110 -16.198 -10.723 2.247 784 H ASP 111 H ASP 111 -15.361 -5.922 6.756 785 HA ASP 111 HA ASP 111 -17.768 -7.354 6.945 786 HB2 ASP 111 2HB ASP 111 -16.332 -7.309 8.919 787 HB3 ASP 111 1HB ASP 111 -16.529 -5.563 9.042 788 H SER 112 H SER 112 -16.829 -3.966 7.192 789 HA SER 112 HA SER 112 -17.649 -2.071 6.394 790 HB2 SER 112 2HB SER 112 -18.316 -3.416 4.411 791 HB3 SER 112 1HB SER 112 -19.901 -3.643 5.142 792 HG SER 112 HG SER 112 -19.941 -1.221 5.180 793 H GLU 113 H GLU 113 -19.835 -4.096 8.125 794 HA GLU 113 HA GLU 113 -21.502 -3.770 9.575 795 HB2 GLU 113 2HB GLU 113 -20.641 -0.853 9.649 796 HB3 GLU 113 1HB GLU 113 -21.693 -1.648 10.809 797 HG2 GLU 113 2HG GLU 113 -19.852 -3.064 11.526 798 HG3 GLU 113 1HG GLU 113 -18.796 -2.307 10.332 Start of MODEL 18 1 H1 ASN 18 1HT ASN 18 13.058 10.741 2.360 2 H2 ASN 18 2HT ASN 18 13.222 9.734 1.033 3 H3 ASN 18 3HT ASN 18 11.698 9.981 1.729 4 HA ASN 18 HA ASN 18 11.703 12.258 1.144 5 HB2 ASN 18 2HB ASN 18 14.133 12.704 1.252 6 HB3 ASN 18 1HB ASN 18 14.380 11.693 -0.158 7 HD21 ASN 18 1HD2 ASN 18 15.404 13.460 -1.124 8 HD22 ASN 18 2HD2 ASN 18 14.499 14.743 -1.838 9 H THR 19 H THR 19 13.383 10.703 -1.614 10 HA THR 19 HA THR 19 11.110 11.295 -3.190 11 HB THR 19 HB THR 19 13.230 11.475 -4.295 12 HG1 THR 19 1HG THR 19 11.665 10.778 -5.687 13 HG21 THR 19 3HG2 THR 19 14.707 9.518 -4.708 14 HG22 THR 19 1HG2 THR 19 13.664 8.557 -3.661 15 HG23 THR 19 2HG2 THR 19 14.577 9.916 -2.992 16 H ALA 20 H ALA 20 12.395 8.322 -1.810 17 HA ALA 20 HA ALA 20 10.497 6.627 -3.036 18 HB1 ALA 20 1HB ALA 20 12.591 5.776 -2.076 19 HB2 ALA 20 2HB ALA 20 11.185 4.956 -1.395 20 HB3 ALA 20 3HB ALA 20 12.015 6.202 -0.465 21 H THR 21 H THR 21 10.486 8.529 -0.082 22 HA THR 21 HA THR 21 8.160 7.474 1.098 23 HB THR 21 HB THR 21 8.942 10.343 1.238 24 HG1 THR 21 1HG THR 21 10.215 8.629 3.004 25 HG21 THR 21 3HG2 THR 21 8.361 10.040 3.628 26 HG22 THR 21 1HG2 THR 21 8.034 8.335 3.319 27 HG23 THR 21 2HG2 THR 21 7.028 9.572 2.570 28 H GLN 22 H GLN 22 8.790 10.166 -1.126 29 HA GLN 22 HA GLN 22 6.149 11.096 -1.350 30 HB2 GLN 22 2HB GLN 22 8.198 12.378 -1.971 31 HB3 GLN 22 1HB GLN 22 8.399 11.318 -3.359 32 HG2 GLN 22 2HG GLN 22 7.383 13.445 -3.977 33 HG3 GLN 22 1HG GLN 22 6.293 12.090 -4.275 34 HE21 GLN 22 1HE2 GLN 22 6.936 14.823 -2.283 35 HE22 GLN 22 2HE2 GLN 22 5.375 14.950 -1.573 36 H ARG 23 H ARG 23 8.020 8.731 -3.063 37 HA ARG 23 HA ARG 23 6.220 8.124 -5.129 38 HB2 ARG 23 2HB ARG 23 8.672 7.571 -4.919 39 HB3 ARG 23 1HB ARG 23 8.217 6.310 -3.793 40 HG2 ARG 23 2HG ARG 23 7.022 5.147 -5.516 41 HG3 ARG 23 1HG ARG 23 7.326 6.457 -6.665 42 HD2 ARG 23 2HD ARG 23 9.332 4.625 -5.369 43 HD3 ARG 23 1HD ARG 23 8.952 4.758 -7.090 44 HE ARG 23 HE ARG 23 9.768 7.238 -6.507 45 HH11 ARG 23 1HH1 ARG 23 11.278 4.072 -5.990 46 HH12 ARG 23 2HH1 ARG 23 12.858 4.683 -5.855 47 HH21 ARG 23 1HH2 ARG 23 11.958 8.114 -6.232 48 HH22 ARG 23 2HH2 ARG 23 13.240 7.017 -6.004 49 H PHE 24 H PHE 24 6.493 7.092 -1.773 50 HA PHE 24 HA PHE 24 4.453 5.097 -2.120 51 HB2 PHE 24 2HB PHE 24 6.189 5.899 0.188 52 HB3 PHE 24 1HB PHE 24 4.726 4.974 0.493 53 HD1 PHE 24 2HD PHE 24 7.133 4.701 -2.345 54 HD2 PHE 24 1HD PHE 24 5.482 2.846 1.117 55 HE1 PHE 24 2HE PHE 24 8.292 2.613 -2.908 56 HE2 PHE 24 1HE PHE 24 6.630 0.763 0.542 57 HZ PHE 24 HZ PHE 24 8.031 0.635 -1.454 58 H HIS 25 H HIS 25 4.511 8.360 -1.655 59 HA HIS 25 HA HIS 25 2.183 8.680 -0.049 60 HB2 HIS 25 2HB HIS 25 3.860 10.499 -0.533 61 HB3 HIS 25 1HB HIS 25 3.225 10.587 -2.167 62 HD1 HIS 25 1HD HIS 25 2.682 11.832 1.248 63 HD2 HIS 25 2HD HIS 25 0.495 11.624 -2.271 64 HE1 HIS 25 1HE HIS 25 0.802 13.432 1.536 65 HE2 HIS 25 2HE HIS 25 -0.642 13.077 -0.483 66 H GLU 26 H GLU 26 2.775 7.849 -3.310 67 HA GLU 26 HA GLU 26 0.218 8.388 -4.379 68 HB2 GLU 26 2HB GLU 26 2.224 6.273 -5.186 69 HB3 GLU 26 1HB GLU 26 0.856 6.812 -6.151 70 HG2 GLU 26 2HG GLU 26 3.257 8.439 -5.357 71 HG3 GLU 26 1HG GLU 26 2.861 7.838 -6.967 72 H ILE 27 H ILE 27 1.595 5.836 -2.498 73 HA ILE 27 HA ILE 27 -0.641 4.078 -2.901 74 HB ILE 27 HB ILE 27 1.365 3.771 -0.667 75 HG12 ILE 27 2HG1 ILE 27 2.717 4.223 -2.678 76 HG13 ILE 27 1HG1 ILE 27 2.870 2.537 -2.202 77 HG21 ILE 27 1HG2 ILE 27 0.950 1.398 -1.079 78 HG22 ILE 27 2HG2 ILE 27 -0.103 1.812 -2.431 79 HG23 ILE 27 3HG2 ILE 27 -0.559 2.262 -0.789 80 HD11 ILE 27 3HD1 ILE 27 2.725 2.736 -4.603 81 HD12 ILE 27 1HD1 ILE 27 1.216 3.642 -4.461 82 HD13 ILE 27 2HD1 ILE 27 1.273 1.952 -3.976 83 H GLU 28 H GLU 28 0.568 6.353 -0.578 84 HA GLU 28 HA GLU 28 -1.223 6.071 1.543 85 HB2 GLU 28 2HB GLU 28 0.834 7.501 1.486 86 HB3 GLU 28 1HB GLU 28 -0.017 8.616 0.439 87 HG2 GLU 28 2HG GLU 28 -0.053 9.528 2.621 88 HG3 GLU 28 1HG GLU 28 -1.679 8.945 2.281 89 H LYS 29 H LYS 29 -1.428 8.042 -1.402 90 HA LYS 29 HA LYS 29 -3.968 9.083 -0.792 91 HB2 LYS 29 2HB LYS 29 -4.088 10.000 -3.012 92 HB3 LYS 29 1HB LYS 29 -2.415 10.117 -2.496 93 HG2 LYS 29 2HG LYS 29 -1.910 8.104 -3.806 94 HG3 LYS 29 1HG LYS 29 -3.579 8.079 -4.358 95 HD2 LYS 29 2HD LYS 29 -3.241 10.327 -5.334 96 HD3 LYS 29 1HD LYS 29 -1.535 10.227 -4.870 97 HE2 LYS 29 2HE LYS 29 -1.308 8.186 -6.202 98 HE3 LYS 29 1HE LYS 29 -2.994 8.332 -6.692 99 HZ1 LYS 29 3HZ LYS 29 -2.357 10.541 -7.662 100 HZ2 LYS 29 1HZ LYS 29 -1.660 9.191 -8.395 101 HZ3 LYS 29 2HZ LYS 29 -0.729 10.107 -7.364 102 H PHE 30 H PHE 30 -2.967 6.187 -2.592 103 HA PHE 30 HA PHE 30 -5.501 5.359 -3.430 104 HB2 PHE 30 2HB PHE 30 -2.945 3.992 -2.929 105 HB3 PHE 30 1HB PHE 30 -4.384 2.980 -2.870 106 HD1 PHE 30 2HD PHE 30 -2.454 5.290 -5.030 107 HD2 PHE 30 1HD PHE 30 -5.488 2.318 -4.828 108 HE1 PHE 30 2HE PHE 30 -2.484 5.161 -7.487 109 HE2 PHE 30 1HE PHE 30 -5.530 2.189 -7.284 110 HZ PHE 30 HZ PHE 30 -4.030 3.606 -8.614 111 H LEU 31 H LEU 31 -3.855 4.822 -0.386 112 HA LEU 31 HA LEU 31 -5.709 3.125 0.825 113 HB2 LEU 31 2HB LEU 31 -3.473 3.565 1.717 114 HB3 LEU 31 1HB LEU 31 -3.904 5.227 2.039 115 HG LEU 31 HG LEU 31 -5.543 4.428 3.726 116 HD11 LEU 31 1HD1 LEU 31 -5.386 2.131 4.517 117 HD12 LEU 31 2HD1 LEU 31 -4.258 1.757 3.213 118 HD13 LEU 31 3HD1 LEU 31 -5.924 2.210 2.839 119 HD21 LEU 31 3HD2 LEU 31 -3.315 5.167 4.387 120 HD22 LEU 31 1HD2 LEU 31 -2.697 3.534 4.137 121 HD23 LEU 31 2HD2 LEU 31 -3.876 3.846 5.412 122 H LEU 32 H LEU 32 -5.537 6.665 0.878 123 HA LEU 32 HA LEU 32 -7.920 6.826 2.373 124 HB2 LEU 32 2HB LEU 32 -7.900 9.265 1.992 125 HB3 LEU 32 1HB LEU 32 -6.352 8.690 2.550 126 HG LEU 32 HG LEU 32 -5.761 8.769 -0.003 127 HD11 LEU 32 1HD1 LEU 32 -8.023 10.754 0.126 128 HD12 LEU 32 2HD1 LEU 32 -7.975 9.273 -0.831 129 HD13 LEU 32 3HD1 LEU 32 -6.863 10.595 -1.196 130 HD21 LEU 32 3HD2 LEU 32 -4.991 11.088 0.281 131 HD22 LEU 32 1HD2 LEU 32 -4.656 10.088 1.697 132 HD23 LEU 32 2HD2 LEU 32 -6.004 11.225 1.717 133 H HIS 33 H HIS 33 -7.206 6.840 -0.998 134 HA HIS 33 HA HIS 33 -9.701 7.576 -1.992 135 HB2 HIS 33 2HB HIS 33 -7.662 7.406 -3.395 136 HB3 HIS 33 1HB HIS 33 -7.692 5.662 -3.207 137 HD1 HIS 33 1HD HIS 33 -9.409 8.465 -5.009 138 HD2 HIS 33 2HD HIS 33 -9.503 4.317 -4.866 139 HE1 HIS 33 1HE HIS 33 -10.772 7.749 -6.991 140 HE2 HIS 33 2HE HIS 33 -10.595 5.236 -6.999 141 H ILE 34 H ILE 34 -8.453 4.301 -1.121 142 HA ILE 34 HA ILE 34 -10.696 2.896 -1.970 143 HB ILE 34 HB ILE 34 -8.668 2.270 0.194 144 HG12 ILE 34 2HG1 ILE 34 -8.817 1.300 -2.662 145 HG13 ILE 34 1HG1 ILE 34 -7.783 2.612 -2.108 146 HG21 ILE 34 1HG2 ILE 34 -10.598 0.393 -1.189 147 HG22 ILE 34 2HG2 ILE 34 -10.702 0.928 0.485 148 HG23 ILE 34 3HG2 ILE 34 -9.342 -0.069 -0.040 149 HD11 ILE 34 3HD1 ILE 34 -6.616 0.446 -2.330 150 HD12 ILE 34 1HD1 ILE 34 -7.689 -0.191 -1.084 151 HD13 ILE 34 2HD1 ILE 34 -6.569 1.106 -0.687 152 H THR 35 H THR 35 -9.824 4.231 1.212 153 HA THR 35 HA THR 35 -12.066 3.310 2.604 154 HB THR 35 HB THR 35 -10.691 5.912 3.082 155 HG1 THR 35 1HG THR 35 -8.937 4.475 3.012 156 HG21 THR 35 3HG2 THR 35 -11.085 5.366 5.483 157 HG22 THR 35 1HG2 THR 35 -11.894 3.879 4.983 158 HG23 THR 35 2HG2 THR 35 -12.583 5.447 4.557 159 H HIS 36 H HIS 36 -11.592 6.240 0.666 160 HA HIS 36 HA HIS 36 -14.126 7.420 1.195 161 HB2 HIS 36 2HB HIS 36 -12.110 7.854 -0.985 162 HB3 HIS 36 1HB HIS 36 -13.698 8.605 -1.067 163 HD1 HIS 36 1HD HIS 36 -10.509 8.676 0.897 164 HD2 HIS 36 2HD HIS 36 -14.066 10.774 0.621 165 HE1 HIS 36 1HE HIS 36 -10.123 10.798 2.148 166 HE2 HIS 36 2HE HIS 36 -12.219 12.136 1.791 167 H GLU 37 H GLU 37 -12.973 5.206 -1.258 168 HA GLU 37 HA GLU 37 -15.315 5.109 -2.807 169 HB2 GLU 37 2HB GLU 37 -13.266 2.949 -2.307 170 HB3 GLU 37 1HB GLU 37 -14.488 2.903 -3.561 171 HG2 GLU 37 2HG GLU 37 -12.289 4.936 -3.347 172 HG3 GLU 37 1HG GLU 37 -12.274 3.518 -4.392 173 H VAL 38 H VAL 38 -14.355 3.565 0.188 174 HA VAL 38 HA VAL 38 -16.361 1.570 0.243 175 HB VAL 38 HB VAL 38 -15.072 2.919 2.658 176 HG11 VAL 38 1HG1 VAL 38 -17.108 1.562 3.150 177 HG12 VAL 38 2HG1 VAL 38 -15.665 0.799 3.823 178 HG13 VAL 38 3HG1 VAL 38 -16.373 0.188 2.328 179 HG21 VAL 38 3HG2 VAL 38 -13.368 1.977 1.194 180 HG22 VAL 38 1HG2 VAL 38 -14.194 0.421 1.225 181 HG23 VAL 38 2HG2 VAL 38 -13.488 1.075 2.705 182 H ASP 39 H ASP 39 -16.097 4.789 1.523 183 HA ASP 39 HA ASP 39 -18.626 4.801 2.687 184 HB2 ASP 39 2HB ASP 39 -17.029 6.433 3.399 185 HB3 ASP 39 1HB ASP 39 -16.894 7.087 1.769 186 H ASP 40 H ASP 40 -17.469 5.644 -0.496 187 HA ASP 40 HA ASP 40 -19.767 6.930 -1.461 188 HB2 ASP 40 2HB ASP 40 -17.437 7.013 -2.479 189 HB3 ASP 40 1HB ASP 40 -17.739 5.394 -3.085 190 H LEU 41 H LEU 41 -18.620 3.609 -1.608 191 HA LEU 41 HA LEU 41 -20.815 2.809 -3.172 192 HB2 LEU 41 2HB LEU 41 -20.056 0.496 -2.808 193 HB3 LEU 41 1HB LEU 41 -18.778 1.545 -3.359 194 HG LEU 41 HG LEU 41 -18.106 1.650 -0.864 195 HD11 LEU 41 1HD1 LEU 41 -19.722 -0.878 -0.841 196 HD12 LEU 41 2HD1 LEU 41 -20.096 0.612 0.021 197 HD13 LEU 41 3HD1 LEU 41 -18.648 -0.299 0.440 198 HD21 LEU 41 3HD2 LEU 41 -16.751 -0.374 -1.109 199 HD22 LEU 41 1HD2 LEU 41 -16.758 0.603 -2.574 200 HD23 LEU 41 2HD2 LEU 41 -17.740 -0.860 -2.485 201 H GLU 42 H GLU 42 -20.221 2.951 0.252 202 HA GLU 42 HA GLU 42 -22.420 1.473 0.989 203 HB2 GLU 42 2HB GLU 42 -21.046 3.683 2.516 204 HB3 GLU 42 1HB GLU 42 -22.345 2.719 3.199 205 HG2 GLU 42 2HG GLU 42 -19.714 1.629 2.202 206 HG3 GLU 42 1HG GLU 42 -20.093 1.967 3.883 207 H LYS 43 H LYS 43 -22.305 4.820 -0.176 208 HA LYS 43 HA LYS 43 -25.170 4.790 0.448 209 HB2 LYS 43 2HB LYS 43 -25.401 7.133 0.234 210 HB3 LYS 43 1HB LYS 43 -23.891 6.914 1.090 211 HG2 LYS 43 2HG LYS 43 -23.888 7.274 -1.867 212 HG3 LYS 43 1HG LYS 43 -24.086 8.685 -0.822 213 HD2 LYS 43 2HD LYS 43 -21.924 8.003 0.241 214 HD3 LYS 43 1HD LYS 43 -21.827 6.733 -0.989 215 HE2 LYS 43 2HE LYS 43 -20.538 8.777 -1.619 216 HE3 LYS 43 1HE LYS 43 -21.811 8.370 -2.769 217 HZ1 LYS 43 3HZ LYS 43 -21.957 10.490 -0.673 218 HZ2 LYS 43 1HZ LYS 43 -23.196 10.103 -1.749 219 HZ3 LYS 43 2HZ LYS 43 -21.749 10.727 -2.308 220 H THR 44 H THR 44 -22.969 4.722 -2.142 221 HA THR 44 HA THR 44 -24.738 5.303 -4.216 222 HB THR 44 HB THR 44 -22.005 4.145 -3.970 223 HG1 THR 44 1HG THR 44 -21.354 6.056 -4.595 224 HG21 THR 44 3HG2 THR 44 -22.932 3.003 -5.840 225 HG22 THR 44 1HG2 THR 44 -21.728 4.189 -6.346 226 HG23 THR 44 2HG2 THR 44 -23.467 4.546 -6.564 227 H GLY 45 H GLY 45 -23.894 2.244 -2.650 228 HA2 GLY 45 2HA GLY 45 -26.287 1.028 -3.372 229 HA3 GLY 45 1HA GLY 45 -25.155 0.646 -4.653 230 H ASN 46 H ASN 46 -22.890 0.046 -3.527 231 HA ASN 46 HA ASN 46 -21.640 -1.509 -2.395 232 HB2 ASN 46 2HB ASN 46 -22.908 -0.799 -0.287 233 HB3 ASN 46 1HB ASN 46 -24.086 -2.054 -0.639 234 HD21 ASN 46 1HD2 ASN 46 -23.725 -3.274 1.165 235 HD22 ASN 46 2HD2 ASN 46 -22.258 -4.120 1.501 236 H LYS 47 H LYS 47 -23.225 -1.947 -4.685 237 HA LYS 47 HA LYS 47 -24.776 -4.327 -4.549 238 HB2 LYS 47 2HB LYS 47 -25.138 -2.582 -6.211 239 HB3 LYS 47 1HB LYS 47 -23.560 -2.887 -6.903 240 HG2 LYS 47 2HG LYS 47 -24.316 -5.085 -7.642 241 HG3 LYS 47 1HG LYS 47 -25.914 -4.763 -6.951 242 HD2 LYS 47 2HD LYS 47 -26.167 -2.829 -8.405 243 HD3 LYS 47 1HD LYS 47 -24.564 -3.104 -9.079 244 HE2 LYS 47 2HE LYS 47 -25.337 -5.287 -9.930 245 HE3 LYS 47 1HE LYS 47 -26.951 -4.943 -9.307 246 HZ1 LYS 47 3HZ LYS 47 -27.004 -2.972 -10.760 247 HZ2 LYS 47 1HZ LYS 47 -26.822 -4.394 -11.654 248 HZ3 LYS 47 2HZ LYS 47 -25.495 -3.401 -11.382 249 H ASP 48 H ASP 48 -21.615 -3.824 -6.010 250 HA ASP 48 HA ASP 48 -20.716 -6.393 -4.987 251 HB2 ASP 48 2HB ASP 48 -19.861 -7.263 -7.107 252 HB3 ASP 48 1HB ASP 48 -21.583 -6.983 -7.251 253 H GLU 49 H GLU 49 -20.483 -3.571 -4.902 254 HA GLU 49 HA GLU 49 -17.980 -2.618 -5.913 255 HB2 GLU 49 2HB GLU 49 -19.949 -1.520 -3.925 256 HB3 GLU 49 1HB GLU 49 -18.653 -0.619 -4.713 257 HG2 GLU 49 2HG GLU 49 -19.670 -0.722 -6.792 258 HG3 GLU 49 1HG GLU 49 -20.738 -2.037 -6.313 259 H LYS 50 H LYS 50 -19.170 -3.897 -2.907 260 HA LYS 50 HA LYS 50 -17.016 -3.054 -1.279 261 HB2 LYS 50 2HB LYS 50 -19.441 -4.170 -0.860 262 HB3 LYS 50 1HB LYS 50 -18.478 -5.618 -0.820 263 HG2 LYS 50 2HG LYS 50 -18.932 -4.736 1.419 264 HG3 LYS 50 1HG LYS 50 -17.200 -4.785 1.061 265 HD2 LYS 50 2HD LYS 50 -17.017 -2.520 0.960 266 HD3 LYS 50 1HD LYS 50 -18.651 -2.341 0.339 267 HE2 LYS 50 2HE LYS 50 -18.071 -3.091 3.201 268 HE3 LYS 50 1HE LYS 50 -18.243 -1.419 2.668 269 HZ1 LYS 50 3HZ LYS 50 -20.480 -2.068 1.808 270 HZ2 LYS 50 1HZ LYS 50 -20.343 -2.101 3.464 271 HZ3 LYS 50 2HZ LYS 50 -20.347 -3.547 2.612 272 H ALA 51 H ALA 51 -17.755 -6.004 -2.884 273 HA ALA 51 HA ALA 51 -15.300 -7.338 -2.388 274 HB1 ALA 51 1HB ALA 51 -17.333 -8.545 -3.039 275 HB2 ALA 51 2HB ALA 51 -15.997 -8.924 -4.123 276 HB3 ALA 51 3HB ALA 51 -17.261 -7.807 -4.637 277 H ARG 52 H ARG 52 -16.448 -5.439 -5.108 278 HA ARG 52 HA ARG 52 -14.252 -5.704 -6.829 279 HB2 ARG 52 2HB ARG 52 -16.339 -4.725 -7.596 280 HB3 ARG 52 1HB ARG 52 -16.155 -3.391 -6.470 281 HG2 ARG 52 2HG ARG 52 -14.116 -2.697 -7.686 282 HG3 ARG 52 1HG ARG 52 -14.418 -3.975 -8.858 283 HD2 ARG 52 2HD ARG 52 -16.566 -2.958 -9.418 284 HD3 ARG 52 1HD ARG 52 -16.279 -1.691 -8.223 285 HE ARG 52 HE ARG 52 -14.103 -1.585 -9.806 286 HH11 ARG 52 1HH1 ARG 52 -17.589 -1.224 -10.353 287 HH12 ARG 52 2HH1 ARG 52 -17.440 -0.398 -11.816 288 HH21 ARG 52 1HH2 ARG 52 -13.884 -0.380 -11.832 289 HH22 ARG 52 2HH2 ARG 52 -15.282 0.109 -12.665 290 H LEU 53 H LEU 53 -14.876 -3.263 -4.227 291 HA LEU 53 HA LEU 53 -12.574 -1.854 -4.863 292 HB2 LEU 53 2HB LEU 53 -14.426 -0.834 -3.814 293 HB3 LEU 53 1HB LEU 53 -14.354 -1.970 -2.473 294 HG LEU 53 HG LEU 53 -12.205 -1.219 -2.001 295 HD11 LEU 53 1HD1 LEU 53 -11.521 1.124 -2.856 296 HD12 LEU 53 2HD1 LEU 53 -12.854 0.991 -4.004 297 HD13 LEU 53 3HD1 LEU 53 -11.506 -0.145 -4.078 298 HD21 LEU 53 3HD2 LEU 53 -14.039 -0.482 -0.701 299 HD22 LEU 53 1HD2 LEU 53 -14.399 0.815 -1.835 300 HD23 LEU 53 2HD2 LEU 53 -12.931 0.881 -0.863 301 H LEU 54 H LEU 54 -13.261 -4.501 -2.680 302 HA LEU 54 HA LEU 54 -10.785 -4.362 -1.379 303 HB2 LEU 54 2HB LEU 54 -12.607 -6.735 -1.705 304 HB3 LEU 54 1HB LEU 54 -11.222 -6.686 -0.627 305 HG LEU 54 HG LEU 54 -13.760 -5.090 -0.437 306 HD11 LEU 54 1HD1 LEU 54 -13.952 -6.159 1.739 307 HD12 LEU 54 2HD1 LEU 54 -12.490 -7.086 1.398 308 HD13 LEU 54 3HD1 LEU 54 -13.932 -7.316 0.409 309 HD21 LEU 54 3HD2 LEU 54 -12.714 -4.084 1.641 310 HD22 LEU 54 1HD2 LEU 54 -11.996 -3.537 0.125 311 HD23 LEU 54 2HD2 LEU 54 -11.183 -4.744 1.088 312 H ARG 55 H ARG 55 -11.835 -5.762 -4.280 313 HA ARG 55 HA ARG 55 -9.485 -7.304 -4.857 314 HB2 ARG 55 2HB ARG 55 -11.664 -7.628 -6.041 315 HB3 ARG 55 1HB ARG 55 -11.463 -6.052 -6.784 316 HG2 ARG 55 2HG ARG 55 -9.425 -6.863 -7.900 317 HG3 ARG 55 1HG ARG 55 -9.710 -8.459 -7.205 318 HD2 ARG 55 2HD ARG 55 -10.556 -8.402 -9.466 319 HD3 ARG 55 1HD ARG 55 -11.902 -8.533 -8.334 320 HE ARG 55 HE ARG 55 -11.185 -5.865 -9.205 321 HH11 ARG 55 1HH1 ARG 55 -13.374 -8.618 -9.637 322 HH12 ARG 55 2HH1 ARG 55 -14.541 -7.730 -10.499 323 HH21 ARG 55 1HH2 ARG 55 -12.760 -4.678 -10.404 324 HH22 ARG 55 2HH2 ARG 55 -14.185 -5.421 -10.974 325 H GLU 56 H GLU 56 -10.506 -3.986 -5.428 326 HA GLU 56 HA GLU 56 -8.360 -3.074 -6.958 327 HB2 GLU 56 2HB GLU 56 -10.491 -1.861 -6.601 328 HB3 GLU 56 1HB GLU 56 -10.059 -1.624 -4.918 329 HG2 GLU 56 2HG GLU 56 -9.647 0.395 -6.027 330 HG3 GLU 56 1HG GLU 56 -8.078 -0.351 -5.703 331 H LEU 57 H LEU 57 -8.820 -3.338 -3.406 332 HA LEU 57 HA LEU 57 -6.323 -2.107 -2.913 333 HB2 LEU 57 2HB LEU 57 -6.593 -2.528 -0.557 334 HB3 LEU 57 1HB LEU 57 -8.110 -2.017 -1.237 335 HG LEU 57 HG LEU 57 -8.880 -4.401 -1.122 336 HD11 LEU 57 1HD1 LEU 57 -6.693 -5.501 -0.983 337 HD12 LEU 57 2HD1 LEU 57 -7.731 -5.915 0.390 338 HD13 LEU 57 3HD1 LEU 57 -6.426 -4.748 0.590 339 HD21 LEU 57 3HD2 LEU 57 -9.550 -2.721 0.470 340 HD22 LEU 57 1HD2 LEU 57 -8.079 -2.997 1.405 341 HD23 LEU 57 2HD2 LEU 57 -9.282 -4.274 1.268 342 H THR 58 H THR 58 -7.317 -5.320 -3.464 343 HA THR 58 HA THR 58 -5.011 -6.595 -2.675 344 HB THR 58 HB THR 58 -6.853 -7.321 -4.982 345 HG1 THR 58 1HG THR 58 -8.008 -7.180 -3.003 346 HG21 THR 58 3HG2 THR 58 -4.734 -8.589 -5.029 347 HG22 THR 58 1HG2 THR 58 -6.090 -9.633 -4.599 348 HG23 THR 58 2HG2 THR 58 -4.984 -9.061 -3.348 349 H VAL 59 H VAL 59 -5.885 -4.876 -5.611 350 HA VAL 59 HA VAL 59 -3.460 -5.322 -7.019 351 HB VAL 59 HB VAL 59 -5.426 -3.023 -7.340 352 HG11 VAL 59 1HG1 VAL 59 -3.336 -4.084 -9.245 353 HG12 VAL 59 2HG1 VAL 59 -3.277 -2.542 -8.393 354 HG13 VAL 59 3HG1 VAL 59 -4.515 -2.827 -9.619 355 HG21 VAL 59 3HG2 VAL 59 -6.389 -4.330 -9.178 356 HG22 VAL 59 1HG2 VAL 59 -6.532 -5.170 -7.632 357 HG23 VAL 59 2HG2 VAL 59 -5.298 -5.661 -8.795 358 H SER 60 H SER 60 -4.580 -2.808 -4.770 359 HA SER 60 HA SER 60 -2.350 -1.133 -4.909 360 HB2 SER 60 2HB SER 60 -4.044 -1.695 -2.457 361 HB3 SER 60 1HB SER 60 -3.087 -0.245 -2.759 362 HG SER 60 HG SER 60 -4.476 -0.001 -4.694 363 H GLU 61 H GLU 61 -2.992 -3.874 -2.945 364 HA GLU 61 HA GLU 61 -0.625 -4.114 -1.466 365 HB2 GLU 61 2HB GLU 61 -2.503 -5.485 -0.933 366 HB3 GLU 61 1HB GLU 61 -2.601 -6.103 -2.567 367 HG2 GLU 61 2HG GLU 61 -1.828 -7.842 -1.210 368 HG3 GLU 61 1HG GLU 61 -0.457 -7.289 -2.159 369 H ALA 62 H ALA 62 -1.474 -5.082 -4.732 370 HA ALA 62 HA ALA 62 0.779 -6.693 -5.238 371 HB1 ALA 62 1HB ALA 62 -0.902 -5.268 -7.296 372 HB2 ALA 62 2HB ALA 62 -1.286 -6.834 -6.587 373 HB3 ALA 62 3HB ALA 62 0.162 -6.647 -7.580 374 H PHE 63 H PHE 63 0.244 -3.244 -5.910 375 HA PHE 63 HA PHE 63 2.901 -3.239 -6.908 376 HB2 PHE 63 2HB PHE 63 2.675 -0.624 -6.962 377 HB3 PHE 63 1HB PHE 63 1.860 -1.623 -8.150 378 HD1 PHE 63 2HD PHE 63 1.380 0.218 -5.004 379 HD2 PHE 63 1HD PHE 63 -0.420 -1.506 -8.426 380 HE1 PHE 63 2HE PHE 63 -0.770 1.285 -4.419 381 HE2 PHE 63 1HE PHE 63 -2.553 -0.455 -7.854 382 HZ PHE 63 HZ PHE 63 -2.728 0.904 -5.834 383 H ILE 64 H ILE 64 1.586 -2.540 -3.797 384 HA ILE 64 HA ILE 64 4.019 -1.549 -2.791 385 HB ILE 64 HB ILE 64 1.616 -2.762 -1.449 386 HG12 ILE 64 2HG1 ILE 64 1.782 -0.333 -1.925 387 HG13 ILE 64 1HG1 ILE 64 1.576 -0.693 -0.211 388 HG21 ILE 64 1HG2 ILE 64 4.183 -2.318 0.064 389 HG22 ILE 64 2HG2 ILE 64 3.490 -3.882 -0.332 390 HG23 ILE 64 3HG2 ILE 64 2.625 -2.788 0.758 391 HD11 ILE 64 3HD1 ILE 64 4.184 0.100 -1.551 392 HD12 ILE 64 1HD1 ILE 64 3.995 -0.287 0.155 393 HD13 ILE 64 2HD1 ILE 64 3.196 1.112 -0.509 394 H GLU 65 H GLU 65 2.859 -4.868 -3.092 395 HA GLU 65 HA GLU 65 5.062 -6.297 -2.146 396 HB2 GLU 65 2HB GLU 65 3.493 -6.847 -4.667 397 HB3 GLU 65 1HB GLU 65 4.626 -7.962 -3.950 398 HG2 GLU 65 2HG GLU 65 3.186 -8.181 -2.016 399 HG3 GLU 65 1HG GLU 65 2.058 -7.009 -2.716 400 H GLY 66 H GLY 66 4.598 -4.911 -5.348 401 HA2 GLY 66 2HA GLY 66 7.047 -5.789 -6.438 402 HA3 GLY 66 1HA GLY 66 6.078 -4.452 -7.058 403 H SER 67 H SER 67 6.141 -2.906 -4.723 404 HA SER 67 HA SER 67 8.590 -1.571 -5.215 405 HB2 SER 67 2HB SER 67 6.474 -1.009 -3.124 406 HB3 SER 67 1HB SER 67 7.734 0.106 -3.669 407 HG SER 67 HG SER 67 5.557 -0.942 -5.152 408 H ARG 68 H ARG 68 7.263 -3.544 -2.602 409 HA ARG 68 HA ARG 68 9.501 -3.071 -0.960 410 HB2 ARG 68 2HB ARG 68 7.443 -5.281 -0.762 411 HB3 ARG 68 1HB ARG 68 8.684 -4.985 0.442 412 HG2 ARG 68 2HG ARG 68 7.719 -2.788 0.898 413 HG3 ARG 68 1HG ARG 68 6.481 -3.085 -0.325 414 HD2 ARG 68 2HD ARG 68 5.566 -3.544 1.862 415 HD3 ARG 68 1HD ARG 68 5.727 -5.049 0.966 416 HE ARG 68 HE ARG 68 8.008 -5.026 2.346 417 HH11 ARG 68 1HH1 ARG 68 4.646 -4.600 3.358 418 HH12 ARG 68 2HH1 ARG 68 4.939 -5.032 4.986 419 HH21 ARG 68 1HH2 ARG 68 8.377 -5.708 4.555 420 HH22 ARG 68 2HH2 ARG 68 7.080 -5.735 5.660 421 H GLY 69 H GLY 69 8.596 -5.634 -3.102 422 HA2 GLY 69 2HA GLY 69 10.805 -7.229 -2.647 423 HA3 GLY 69 1HA GLY 69 9.860 -7.178 -4.135 424 H TYR 70 H TYR 70 10.437 -4.248 -4.349 425 HA TYR 70 HA TYR 70 12.720 -4.515 -6.071 426 HB2 TYR 70 2HB TYR 70 11.065 -2.894 -6.723 427 HB3 TYR 70 1HB TYR 70 11.107 -2.123 -5.146 428 HD1 TYR 70 1HD TYR 70 13.062 -2.637 -8.268 429 HD2 TYR 70 2HD TYR 70 12.632 -0.329 -4.703 430 HE1 TYR 70 1HE TYR 70 14.686 -0.987 -9.112 431 HE2 TYR 70 2HE TYR 70 14.227 1.296 -5.547 432 HH TYR 70 HH TYR 70 15.243 1.344 -8.770 433 H PHE 71 H PHE 71 12.024 -2.824 -3.104 434 HA PHE 71 HA PHE 71 14.602 -1.949 -2.680 435 HB2 PHE 71 2HB PHE 71 12.329 -2.291 -0.744 436 HB3 PHE 71 1HB PHE 71 13.858 -1.551 -0.288 437 HD1 PHE 71 1HD PHE 71 14.636 0.264 -2.193 438 HD2 PHE 71 2HD PHE 71 10.647 -0.798 -1.197 439 HE1 PHE 71 1HE PHE 71 13.851 2.421 -3.073 440 HE2 PHE 71 2HE PHE 71 9.858 1.355 -2.083 441 HZ PHE 71 HZ PHE 71 11.456 2.966 -3.019 442 H GLN 72 H GLN 72 13.006 -4.885 -1.654 443 HA GLN 72 HA GLN 72 15.104 -5.861 -0.078 444 HB2 GLN 72 2HB GLN 72 13.011 -7.369 -1.633 445 HB3 GLN 72 1HB GLN 72 14.122 -8.135 -0.503 446 HG2 GLN 72 2HG GLN 72 13.237 -6.718 1.299 447 HG3 GLN 72 1HG GLN 72 12.109 -6.000 0.155 448 HE21 GLN 72 1HE2 GLN 72 11.599 -8.577 -1.193 449 HE22 GLN 72 2HE2 GLN 72 10.626 -9.461 -0.099 450 H ARG 73 H ARG 73 14.695 -5.987 -3.587 451 HA ARG 73 HA ARG 73 17.012 -7.632 -4.014 452 HB2 ARG 73 2HB ARG 73 15.610 -5.672 -5.836 453 HB3 ARG 73 1HB ARG 73 17.039 -6.557 -6.327 454 HG2 ARG 73 2HG ARG 73 15.793 -8.283 -6.922 455 HG3 ARG 73 1HG ARG 73 15.103 -8.386 -5.299 456 HD2 ARG 73 2HD ARG 73 13.360 -8.062 -7.004 457 HD3 ARG 73 1HD ARG 73 13.490 -6.740 -5.832 458 HE ARG 73 HE ARG 73 15.006 -5.838 -7.838 459 HH11 ARG 73 1HH1 ARG 73 11.714 -7.138 -7.905 460 HH12 ARG 73 2HH1 ARG 73 11.208 -6.126 -9.186 461 HH21 ARG 73 1HH2 ARG 73 14.295 -4.459 -9.504 462 HH22 ARG 73 2HH2 ARG 73 12.694 -4.528 -10.106 463 H GLU 74 H GLU 74 16.432 -4.221 -3.697 464 HA GLU 74 HA GLU 74 19.017 -3.418 -4.364 465 HB2 GLU 74 2HB GLU 74 17.060 -1.987 -2.567 466 HB3 GLU 74 1HB GLU 74 18.461 -1.264 -3.342 467 HG2 GLU 74 2HG GLU 74 15.994 -2.337 -4.685 468 HG3 GLU 74 1HG GLU 74 16.501 -0.653 -4.569 469 H LEU 75 H LEU 75 17.637 -4.591 -1.501 470 HA LEU 75 HA LEU 75 19.717 -3.863 0.292 471 HB2 LEU 75 2HB LEU 75 17.577 -5.968 0.488 472 HB3 LEU 75 1HB LEU 75 18.733 -5.669 1.768 473 HG LEU 75 HG LEU 75 16.779 -3.604 0.725 474 HD11 LEU 75 1HD1 LEU 75 15.620 -5.454 1.862 475 HD12 LEU 75 2HD1 LEU 75 15.572 -3.962 2.801 476 HD13 LEU 75 3HD1 LEU 75 16.688 -5.247 3.254 477 HD21 LEU 75 3HD2 LEU 75 18.524 -3.623 3.177 478 HD22 LEU 75 1HD2 LEU 75 17.421 -2.343 2.694 479 HD23 LEU 75 2HD2 LEU 75 18.855 -2.694 1.722 480 H LYS 76 H LYS 76 19.643 -6.197 -2.169 481 HA LYS 76 HA LYS 76 21.726 -7.692 -0.776 482 HB2 LYS 76 2HB LYS 76 21.238 -9.641 -2.111 483 HB3 LYS 76 1HB LYS 76 19.770 -9.061 -1.346 484 HG2 LYS 76 2HG LYS 76 19.185 -7.956 -3.507 485 HG3 LYS 76 1HG LYS 76 20.574 -8.764 -4.224 486 HD2 LYS 76 2HD LYS 76 18.193 -10.083 -2.938 487 HD3 LYS 76 1HD LYS 76 18.523 -9.992 -4.667 488 HE2 LYS 76 2HE LYS 76 20.621 -11.298 -4.268 489 HE3 LYS 76 1HE LYS 76 20.139 -11.473 -2.586 490 HZ1 LYS 76 3HZ LYS 76 18.139 -12.631 -3.324 491 HZ2 LYS 76 1HZ LYS 76 19.511 -13.425 -3.890 492 HZ3 LYS 76 2HZ LYS 76 18.599 -12.455 -4.918 493 H ARG 77 H ARG 77 21.477 -5.364 -3.062 494 HA ARG 77 HA ARG 77 23.068 -6.252 -5.233 495 HB2 ARG 77 2HB ARG 77 23.146 -3.398 -4.302 496 HB3 ARG 77 1HB ARG 77 23.357 -4.015 -5.923 497 HG2 ARG 77 2HG ARG 77 20.943 -4.657 -5.882 498 HG3 ARG 77 1HG ARG 77 20.860 -3.822 -4.321 499 HD2 ARG 77 2HD ARG 77 21.406 -2.653 -7.045 500 HD3 ARG 77 1HD ARG 77 20.150 -2.207 -5.901 501 HE ARG 77 HE ARG 77 23.015 -1.653 -5.505 502 HH11 ARG 77 1HH1 ARG 77 19.635 -0.489 -5.398 503 HH12 ARG 77 2HH1 ARG 77 20.060 0.974 -4.660 504 HH21 ARG 77 1HH2 ARG 77 23.548 0.483 -4.668 505 HH22 ARG 77 2HH2 ARG 77 22.314 1.539 -4.237 506 H THR 78 H THR 78 24.047 -5.445 -2.029 507 HA THR 78 HA THR 78 26.008 -5.267 -0.942 508 HB THR 78 HB THR 78 27.351 -5.988 -3.576 509 HG1 THR 78 1HG THR 78 25.685 -7.376 -2.118 510 HG21 THR 78 3HG2 THR 78 28.296 -6.276 -0.707 511 HG22 THR 78 1HG2 THR 78 28.916 -5.107 -1.872 512 HG23 THR 78 2HG2 THR 78 29.175 -6.834 -2.129 513 H ASP 79 H ASP 79 25.809 -3.700 -3.973 514 HA ASP 79 HA ASP 79 27.632 -1.647 -3.959 515 HB2 ASP 79 2HB ASP 79 26.263 -2.231 -5.855 516 HB3 ASP 79 1HB ASP 79 24.813 -1.753 -4.992 517 H LEU 80 H LEU 80 24.571 -1.806 -2.239 518 HA LEU 80 HA LEU 80 24.349 0.961 -1.453 519 HB2 LEU 80 2HB LEU 80 22.497 0.255 -0.245 520 HB3 LEU 80 1HB LEU 80 22.447 -0.745 -1.679 521 HG LEU 80 HG LEU 80 23.491 -1.676 1.010 522 HD11 LEU 80 1HD1 LEU 80 21.126 -1.073 1.140 523 HD12 LEU 80 2HD1 LEU 80 21.390 -2.805 1.306 524 HD13 LEU 80 3HD1 LEU 80 20.797 -2.148 -0.221 525 HD21 LEU 80 3HD2 LEU 80 22.679 -3.218 -1.458 526 HD22 LEU 80 1HD2 LEU 80 23.151 -3.920 0.089 527 HD23 LEU 80 2HD2 LEU 80 24.325 -3.008 -0.855 528 H ASP 81 H ASP 81 24.474 1.620 0.329 529 HA ASP 81 HA ASP 81 26.098 0.299 2.383 530 HB2 ASP 81 2HB ASP 81 27.318 2.210 1.133 531 HB3 ASP 81 1HB ASP 81 26.118 3.292 1.828 532 H LEU 82 H LEU 82 25.640 2.058 4.449 533 HA LEU 82 HA LEU 82 23.036 1.367 5.104 534 HB2 LEU 82 2HB LEU 82 23.312 2.828 7.131 535 HB3 LEU 82 1HB LEU 82 24.458 1.532 6.957 536 HG LEU 82 HG LEU 82 26.084 3.309 6.082 537 HD11 LEU 82 1HD1 LEU 82 25.695 5.598 6.776 538 HD12 LEU 82 2HD1 LEU 82 24.100 5.157 7.377 539 HD13 LEU 82 3HD1 LEU 82 24.437 5.076 5.650 540 HD21 LEU 82 3HD2 LEU 82 26.276 2.273 8.249 541 HD22 LEU 82 1HD2 LEU 82 25.119 3.419 8.929 542 HD23 LEU 82 2HD2 LEU 82 26.683 3.987 8.345 543 H LEU 83 H LEU 83 24.241 4.114 3.545 544 HA LEU 83 HA LEU 83 22.198 6.025 4.004 545 HB2 LEU 83 2HB LEU 83 23.825 5.456 1.556 546 HB3 LEU 83 1HB LEU 83 22.836 6.879 1.720 547 HG LEU 83 HG LEU 83 24.985 7.638 2.093 548 HD11 LEU 83 1HD1 LEU 83 25.168 8.299 4.421 549 HD12 LEU 83 2HD1 LEU 83 23.905 7.143 4.842 550 HD13 LEU 83 3HD1 LEU 83 23.537 8.502 3.776 551 HD21 LEU 83 3HD2 LEU 83 26.126 5.512 2.240 552 HD22 LEU 83 1HD2 LEU 83 25.533 5.283 3.885 553 HD23 LEU 83 2HD2 LEU 83 26.660 6.594 3.529 554 H GLU 84 H GLU 84 22.584 3.702 1.416 555 HA GLU 84 HA GLU 84 20.103 4.402 0.257 556 HB2 GLU 84 2HB GLU 84 21.964 2.115 -0.223 557 HB3 GLU 84 1HB GLU 84 20.528 2.431 -1.201 558 HG2 GLU 84 2HG GLU 84 21.427 4.576 -1.853 559 HG3 GLU 84 1HG GLU 84 22.834 4.323 -0.818 560 H LYS 85 H LYS 85 21.296 1.857 2.244 561 HA LYS 85 HA LYS 85 19.032 0.278 2.365 562 HB2 LYS 85 2HB LYS 85 21.291 -0.455 3.095 563 HB3 LYS 85 1HB LYS 85 21.218 0.682 4.419 564 HG2 LYS 85 2HG LYS 85 19.166 -1.483 4.223 565 HG3 LYS 85 1HG LYS 85 20.781 -1.847 4.832 566 HD2 LYS 85 2HD LYS 85 20.539 -0.148 6.530 567 HD3 LYS 85 1HD LYS 85 18.950 0.286 5.904 568 HE2 LYS 85 2HE LYS 85 18.089 -1.899 6.491 569 HE3 LYS 85 1HE LYS 85 19.694 -2.411 7.010 570 HZ1 LYS 85 3HZ LYS 85 18.162 -1.700 8.839 571 HZ2 LYS 85 1HZ LYS 85 18.237 -0.136 8.223 572 HZ3 LYS 85 2HZ LYS 85 19.624 -0.892 8.825 573 H PHE 86 H PHE 86 19.916 3.209 4.129 574 HA PHE 86 HA PHE 86 17.971 2.986 6.014 575 HB2 PHE 86 2HB PHE 86 19.821 4.535 6.312 576 HB3 PHE 86 1HB PHE 86 19.288 5.488 4.938 577 HD1 PHE 86 1HD PHE 86 18.260 4.402 8.333 578 HD2 PHE 86 2HD PHE 86 17.869 7.314 5.255 579 HE1 PHE 86 1HE PHE 86 16.950 5.827 9.851 580 HE2 PHE 86 2HE PHE 86 16.560 8.741 6.765 581 HZ PHE 86 HZ PHE 86 16.098 8.000 9.066 582 H ASN 87 H ASN 87 17.936 4.076 2.825 583 HA ASN 87 HA ASN 87 15.518 5.586 2.751 584 HB2 ASN 87 2HB ASN 87 17.337 6.081 1.212 585 HB3 ASN 87 1HB ASN 87 17.328 4.433 0.616 586 HD21 ASN 87 1HD2 ASN 87 17.024 5.047 -1.467 587 HD22 ASN 87 2HD2 ASN 87 15.534 5.683 -2.057 588 H PHE 88 H PHE 88 16.628 2.346 2.021 589 HA PHE 88 HA PHE 88 14.188 1.446 0.859 590 HB2 PHE 88 2HB PHE 88 16.337 -0.279 2.086 591 HB3 PHE 88 1HB PHE 88 15.145 -0.781 0.902 592 HD1 PHE 88 2HD PHE 88 15.484 1.800 -0.816 593 HD2 PHE 88 1HD PHE 88 18.188 -0.996 0.871 594 HE1 PHE 88 2HE PHE 88 17.141 2.391 -2.509 595 HE2 PHE 88 1HE PHE 88 19.854 -0.395 -0.819 596 HZ PHE 88 HZ PHE 88 19.337 1.301 -2.464 597 H GLU 89 H GLU 89 15.709 1.142 4.058 598 HA GLU 89 HA GLU 89 13.570 -0.364 5.107 599 HB2 GLU 89 2HB GLU 89 14.490 0.079 7.310 600 HB3 GLU 89 1HB GLU 89 15.823 -0.249 6.216 601 HG2 GLU 89 2HG GLU 89 16.238 2.150 6.037 602 HG3 GLU 89 1HG GLU 89 14.921 2.459 7.152 603 H ALA 90 H ALA 90 14.221 3.033 4.575 604 HA ALA 90 HA ALA 90 12.133 3.921 6.285 605 HB1 ALA 90 1HB ALA 90 13.859 5.480 5.516 606 HB2 ALA 90 2HB ALA 90 12.253 6.081 5.106 607 HB3 ALA 90 3HB ALA 90 13.260 5.332 3.865 608 H ALA 91 H ALA 91 12.283 3.196 2.873 609 HA ALA 91 HA ALA 91 9.580 3.847 2.306 610 HB1 ALA 91 1HB ALA 91 10.015 2.824 0.145 611 HB2 ALA 91 2HB ALA 91 11.493 2.096 0.788 612 HB3 ALA 91 3HB ALA 91 11.381 3.837 0.628 613 H LEU 92 H LEU 92 11.223 0.821 3.057 614 HA LEU 92 HA LEU 92 9.047 -0.900 2.669 615 HB2 LEU 92 2HB LEU 92 11.354 -1.153 4.601 616 HB3 LEU 92 1HB LEU 92 10.191 -2.423 4.306 617 HG LEU 92 HG LEU 92 12.121 -1.291 2.278 618 HD11 LEU 92 1HD1 LEU 92 12.075 -3.944 3.709 619 HD12 LEU 92 2HD1 LEU 92 13.233 -2.638 3.964 620 HD13 LEU 92 3HD1 LEU 92 13.187 -3.488 2.421 621 HD21 LEU 92 3HD2 LEU 92 11.350 -3.194 0.881 622 HD22 LEU 92 1HD2 LEU 92 10.087 -1.997 1.184 623 HD23 LEU 92 2HD2 LEU 92 10.099 -3.514 2.079 624 H ALA 93 H ALA 93 10.027 0.985 5.467 625 HA ALA 93 HA ALA 93 7.999 -0.059 7.138 626 HB1 ALA 93 1HB ALA 93 10.040 0.970 8.051 627 HB2 ALA 93 2HB ALA 93 8.581 1.742 8.672 628 HB3 ALA 93 3HB ALA 93 9.527 2.529 7.404 629 H THR 94 H THR 94 8.148 2.524 4.786 630 HA THR 94 HA THR 94 5.877 3.853 5.739 631 HB THR 94 HB THR 94 7.120 3.890 2.968 632 HG1 THR 94 1HG THR 94 8.571 4.608 4.598 633 HG21 THR 94 3HG2 THR 94 5.246 5.863 4.298 634 HG22 THR 94 1HG2 THR 94 4.829 4.785 2.966 635 HG23 THR 94 2HG2 THR 94 6.007 6.077 2.722 636 H GLY 95 H GLY 95 6.554 1.490 3.238 637 HA2 GLY 95 2HA GLY 95 3.935 1.170 2.277 638 HA3 GLY 95 1HA GLY 95 5.277 0.056 2.051 639 H ASP 96 H ASP 96 5.757 -0.497 4.838 640 HA ASP 96 HA ASP 96 3.899 -2.604 5.070 641 HB2 ASP 96 2HB ASP 96 6.287 -2.715 5.794 642 HB3 ASP 96 1HB ASP 96 5.883 -1.643 7.132 643 H LEU 97 H LEU 97 4.308 0.488 6.681 644 HA LEU 97 HA LEU 97 2.331 -0.005 8.639 645 HB2 LEU 97 2HB LEU 97 3.449 2.607 7.657 646 HB3 LEU 97 1HB LEU 97 2.389 2.434 9.040 647 HG LEU 97 HG LEU 97 5.183 1.350 8.760 648 HD11 LEU 97 1HD1 LEU 97 5.679 2.850 10.611 649 HD12 LEU 97 2HD1 LEU 97 4.018 3.445 10.559 650 HD13 LEU 97 3HD1 LEU 97 5.095 3.715 9.188 651 HD21 LEU 97 3HD2 LEU 97 4.904 0.590 11.101 652 HD22 LEU 97 1HD2 LEU 97 3.855 -0.256 9.961 653 HD23 LEU 97 2HD2 LEU 97 3.188 1.005 10.991 654 H LEU 98 H LEU 98 2.195 1.666 5.514 655 HA LEU 98 HA LEU 98 -0.568 2.234 5.867 656 HB2 LEU 98 2HB LEU 98 -0.607 2.990 3.625 657 HB3 LEU 98 1HB LEU 98 0.974 3.423 4.245 658 HG LEU 98 HG LEU 98 1.554 1.100 3.237 659 HD11 LEU 98 1HD1 LEU 98 -0.694 2.045 1.450 660 HD12 LEU 98 2HD1 LEU 98 -0.619 0.546 2.377 661 HD13 LEU 98 3HD1 LEU 98 0.464 0.786 1.009 662 HD21 LEU 98 3HD2 LEU 98 2.370 2.290 1.178 663 HD22 LEU 98 1HD2 LEU 98 2.750 3.127 2.683 664 HD23 LEU 98 2HD2 LEU 98 1.416 3.685 1.676 665 H LEU 99 H LEU 99 1.249 -0.532 4.691 666 HA LEU 99 HA LEU 99 -0.789 -1.852 3.271 667 HB2 LEU 99 2HB LEU 99 1.785 -2.295 3.401 668 HB3 LEU 99 1HB LEU 99 1.400 -3.239 4.811 669 HG LEU 99 HG LEU 99 0.619 -3.860 1.926 670 HD11 LEU 99 1HD1 LEU 99 2.900 -4.302 2.427 671 HD12 LEU 99 2HD1 LEU 99 1.994 -5.809 2.253 672 HD13 LEU 99 3HD1 LEU 99 2.438 -5.224 3.855 673 HD21 LEU 99 3HD2 LEU 99 -0.356 -5.920 2.752 674 HD22 LEU 99 1HD2 LEU 99 -1.197 -4.549 3.469 675 HD23 LEU 99 2HD2 LEU 99 -0.019 -5.449 4.422 676 H LYS 100 H LYS 100 0.246 -1.831 6.615 677 HA LYS 100 HA LYS 100 -1.605 -3.805 7.286 678 HB2 LYS 100 2HB LYS 100 -1.048 -3.316 9.664 679 HB3 LYS 100 1HB LYS 100 0.344 -3.709 8.674 680 HG2 LYS 100 2HG LYS 100 0.724 -1.239 8.477 681 HG3 LYS 100 1HG LYS 100 -0.506 -1.038 9.718 682 HD2 LYS 100 2HD LYS 100 1.961 -2.736 10.074 683 HD3 LYS 100 1HD LYS 100 1.907 -1.048 10.487 684 HE2 LYS 100 2HE LYS 100 1.532 -2.318 12.514 685 HE3 LYS 100 1HE LYS 100 0.043 -1.505 12.082 686 HZ1 LYS 100 3HZ LYS 100 -0.193 -3.830 12.854 687 HZ2 LYS 100 1HZ LYS 100 0.600 -4.361 11.482 688 HZ3 LYS 100 2HZ LYS 100 -0.916 -3.579 11.377 689 H ASP 101 H ASP 101 -1.682 -0.309 7.081 690 HA ASP 101 HA ASP 101 -4.162 -0.235 8.543 691 HB2 ASP 101 2HB ASP 101 -2.752 1.849 8.324 692 HB3 ASP 101 1HB ASP 101 -3.184 1.914 6.618 693 H LEU 102 H LEU 102 -3.149 -0.596 5.322 694 HA LEU 102 HA LEU 102 -5.454 -0.349 3.800 695 HB2 LEU 102 2HB LEU 102 -3.090 -0.511 3.013 696 HB3 LEU 102 1HB LEU 102 -3.069 -2.188 3.466 697 HG LEU 102 HG LEU 102 -3.139 -1.809 1.048 698 HD11 LEU 102 1HD1 LEU 102 -4.871 -3.357 0.449 699 HD12 LEU 102 2HD1 LEU 102 -5.607 -3.170 2.045 700 HD13 LEU 102 3HD1 LEU 102 -4.004 -3.885 1.892 701 HD21 LEU 102 3HD2 LEU 102 -4.424 0.235 1.004 702 HD22 LEU 102 1HD2 LEU 102 -5.866 -0.637 1.524 703 HD23 LEU 102 2HD2 LEU 102 -5.137 -0.983 -0.048 704 H LYS 103 H LYS 103 -4.009 -3.211 5.328 705 HA LYS 103 HA LYS 103 -6.226 -4.878 4.682 706 HB2 LYS 103 2HB LYS 103 -3.996 -5.298 6.670 707 HB3 LYS 103 1HB LYS 103 -5.186 -6.521 6.239 708 HG2 LYS 103 2HG LYS 103 -3.228 -5.232 4.350 709 HG3 LYS 103 1HG LYS 103 -3.075 -6.840 5.059 710 HD2 LYS 103 2HD LYS 103 -5.065 -7.587 3.901 711 HD3 LYS 103 1HD LYS 103 -5.368 -5.965 3.281 712 HE2 LYS 103 2HE LYS 103 -4.355 -7.308 1.556 713 HE3 LYS 103 1HE LYS 103 -3.240 -6.049 2.074 714 HZ1 LYS 103 3HZ LYS 103 -2.202 -7.802 3.546 715 HZ2 LYS 103 1HZ LYS 103 -2.005 -7.940 1.885 716 HZ3 LYS 103 2HZ LYS 103 -3.105 -8.943 2.675 717 H ALA 104 H ALA 104 -5.465 -2.810 7.345 718 HA ALA 104 HA ALA 104 -7.450 -3.805 9.084 719 HB1 ALA 104 1HB ALA 104 -5.560 -2.446 9.887 720 HB2 ALA 104 2HB ALA 104 -7.116 -1.747 10.347 721 HB3 ALA 104 3HB ALA 104 -6.202 -1.057 9.008 722 H LEU 105 H LEU 105 -7.421 -1.499 6.426 723 HA LEU 105 HA LEU 105 -9.961 -0.509 7.095 724 HB2 LEU 105 2HB LEU 105 -9.842 0.889 5.258 725 HB3 LEU 105 1HB LEU 105 -8.144 0.550 5.473 726 HG LEU 105 HG LEU 105 -8.641 -1.345 3.752 727 HD11 LEU 105 1HD1 LEU 105 -10.277 -0.664 2.035 728 HD12 LEU 105 2HD1 LEU 105 -10.807 0.651 3.088 729 HD13 LEU 105 3HD1 LEU 105 -11.026 -1.026 3.588 730 HD21 LEU 105 3HD2 LEU 105 -7.093 0.531 3.442 731 HD22 LEU 105 1HD2 LEU 105 -8.429 1.541 2.922 732 HD23 LEU 105 2HD2 LEU 105 -7.948 0.147 1.945 733 H GLN 106 H GLN 106 -8.682 -3.121 5.161 734 HA GLN 106 HA GLN 106 -11.175 -3.917 4.072 735 HB2 GLN 106 2HB GLN 106 -8.964 -4.700 3.169 736 HB3 GLN 106 1HB GLN 106 -8.749 -5.622 4.643 737 HG2 GLN 106 2HG GLN 106 -10.640 -6.984 4.173 738 HG3 GLN 106 1HG GLN 106 -11.049 -6.011 2.764 739 HE21 GLN 106 1HE2 GLN 106 -8.948 -8.430 4.051 740 HE22 GLN 106 2HE2 GLN 106 -8.252 -8.912 2.559 741 H LYS 107 H LYS 107 -9.594 -4.671 7.083 742 HA LYS 107 HA LYS 107 -11.604 -6.524 7.840 743 HB2 LYS 107 2HB LYS 107 -9.923 -4.805 9.687 744 HB3 LYS 107 1HB LYS 107 -10.793 -6.265 10.138 745 HG2 LYS 107 2HG LYS 107 -8.402 -6.066 8.320 746 HG3 LYS 107 1HG LYS 107 -8.448 -6.764 9.935 747 HD2 LYS 107 2HD LYS 107 -9.979 -8.522 9.108 748 HD3 LYS 107 1HD LYS 107 -9.909 -7.804 7.501 749 HE2 LYS 107 2HE LYS 107 -7.508 -8.185 7.413 750 HE3 LYS 107 1HE LYS 107 -7.554 -8.907 9.024 751 HZ1 LYS 107 3HZ LYS 107 -7.527 -10.636 7.378 752 HZ2 LYS 107 1HZ LYS 107 -8.826 -9.965 6.553 753 HZ3 LYS 107 2HZ LYS 107 -9.054 -10.634 8.067 754 H ARG 108 H ARG 108 -11.342 -3.049 8.073 755 HA ARG 108 HA ARG 108 -13.714 -2.661 9.557 756 HB2 ARG 108 2HB ARG 108 -12.044 -0.867 7.808 757 HB3 ARG 108 1HB ARG 108 -13.572 -0.311 8.472 758 HG2 ARG 108 2HG ARG 108 -12.774 -0.551 10.709 759 HG3 ARG 108 1HG ARG 108 -11.330 -1.391 10.146 760 HD2 ARG 108 2HD ARG 108 -11.945 1.412 9.289 761 HD3 ARG 108 1HD ARG 108 -11.114 1.085 10.807 762 HE ARG 108 HE ARG 108 -9.703 -0.340 9.037 763 HH11 ARG 108 1HH1 ARG 108 -10.774 3.043 8.810 764 HH12 ARG 108 2HH1 ARG 108 -9.298 3.644 8.219 765 HH21 ARG 108 1HH2 ARG 108 -7.603 0.531 8.107 766 HH22 ARG 108 2HH2 ARG 108 -7.459 2.167 7.784 767 H VAL 109 H VAL 109 -12.951 -2.807 6.127 768 HA VAL 109 HA VAL 109 -15.522 -2.275 5.268 769 HB VAL 109 HB VAL 109 -13.252 -3.723 3.832 770 HG11 VAL 109 1HG1 VAL 109 -14.567 -3.412 1.764 771 HG12 VAL 109 2HG1 VAL 109 -15.926 -2.868 2.744 772 HG13 VAL 109 3HG1 VAL 109 -15.348 -4.525 2.888 773 HG21 VAL 109 3HG2 VAL 109 -14.482 -1.012 3.496 774 HG22 VAL 109 1HG2 VAL 109 -13.112 -1.658 2.597 775 HG23 VAL 109 2HG2 VAL 109 -12.971 -1.353 4.334 776 H GLN 110 H GLN 110 -13.919 -5.263 6.054 777 HA GLN 110 HA GLN 110 -15.964 -7.083 5.370 778 HB2 GLN 110 2HB GLN 110 -13.856 -7.241 7.529 779 HB3 GLN 110 1HB GLN 110 -14.915 -8.574 7.101 780 HG2 GLN 110 2HG GLN 110 -13.002 -7.243 5.206 781 HG3 GLN 110 1HG GLN 110 -12.654 -8.711 6.115 782 HE21 GLN 110 1HE2 GLN 110 -14.494 -7.322 3.532 783 HE22 GLN 110 2HE2 GLN 110 -14.997 -8.810 2.834 784 H ASP 111 H ASP 111 -15.218 -5.248 8.219 785 HA ASP 111 HA ASP 111 -17.257 -6.315 9.782 786 HB2 ASP 111 2HB ASP 111 -15.202 -5.422 10.735 787 HB3 ASP 111 1HB ASP 111 -15.625 -3.811 10.185 788 H SER 112 H SER 112 -17.224 -3.908 7.412 789 HA SER 112 HA SER 112 -19.480 -2.361 8.237 790 HB2 SER 112 2HB SER 112 -18.363 -2.786 5.451 791 HB3 SER 112 1HB SER 112 -19.472 -1.506 5.936 792 HG SER 112 HG SER 112 -17.030 -1.778 7.304 793 H GLU 113 H GLU 113 -19.011 -5.399 6.713 794 HA GLU 113 HA GLU 113 -21.701 -5.618 5.685 795 HB2 GLU 113 2HB GLU 113 -19.379 -7.557 5.791 796 HB3 GLU 113 1HB GLU 113 -20.911 -7.872 4.991 797 HG2 GLU 113 2HG GLU 113 -19.086 -5.606 4.233 798 HG3 GLU 113 1HG GLU 113 -19.006 -7.202 3.496 Start of MODEL 19 1 H1 ASN 18 1HT ASN 18 9.354 12.109 2.060 2 H2 ASN 18 2HT ASN 18 10.218 13.209 1.130 3 H3 ASN 18 3HT ASN 18 10.543 13.084 2.782 4 HA ASN 18 HA ASN 18 12.247 11.977 1.484 5 HB2 ASN 18 2HB ASN 18 10.343 10.032 2.837 6 HB3 ASN 18 1HB ASN 18 11.991 9.637 2.382 7 HD21 ASN 18 1HD2 ASN 18 9.952 11.259 4.676 8 HD22 ASN 18 2HD2 ASN 18 11.199 11.683 5.773 9 H THR 19 H THR 19 12.790 10.592 -0.281 10 HA THR 19 HA THR 19 10.752 10.462 -2.200 11 HB THR 19 HB THR 19 13.140 10.790 -2.868 12 HG1 THR 19 1HG THR 19 12.144 10.146 -4.625 13 HG21 THR 19 3HG2 THR 19 14.637 8.842 -3.025 14 HG22 THR 19 1HG2 THR 19 13.443 7.868 -2.170 15 HG23 THR 19 2HG2 THR 19 14.228 9.224 -1.354 16 H ALA 20 H ALA 20 11.838 8.263 0.194 17 HA ALA 20 HA ALA 20 10.686 5.871 -0.750 18 HB1 ALA 20 1HB ALA 20 12.276 5.931 1.099 19 HB2 ALA 20 2HB ALA 20 10.769 5.165 1.605 20 HB3 ALA 20 3HB ALA 20 11.118 6.825 2.079 21 H THR 21 H THR 21 9.355 8.520 1.283 22 HA THR 21 HA THR 21 6.845 7.251 1.538 23 HB THR 21 HB THR 21 6.093 9.534 2.281 24 HG1 THR 21 1HG THR 21 7.359 11.051 1.672 25 HG21 THR 21 3HG2 THR 21 7.352 9.462 4.412 26 HG22 THR 21 1HG2 THR 21 8.503 8.349 3.674 27 HG23 THR 21 2HG2 THR 21 6.824 7.860 3.901 28 H GLN 22 H GLN 22 8.276 9.579 -0.585 29 HA GLN 22 HA GLN 22 6.123 10.348 -2.184 30 HB2 GLN 22 2HB GLN 22 8.367 11.315 -2.271 31 HB3 GLN 22 1HB GLN 22 8.992 9.788 -2.865 32 HG2 GLN 22 2HG GLN 22 7.727 10.082 -4.921 33 HG3 GLN 22 1HG GLN 22 7.144 11.643 -4.330 34 HE21 GLN 22 1HE2 GLN 22 8.605 13.348 -4.122 35 HE22 GLN 22 2HE2 GLN 22 10.138 13.319 -4.919 36 H ARG 23 H ARG 23 8.185 7.501 -2.287 37 HA ARG 23 HA ARG 23 7.238 6.287 -4.620 38 HB2 ARG 23 2HB ARG 23 9.301 5.577 -3.621 39 HB3 ARG 23 1HB ARG 23 8.506 5.194 -2.116 40 HG2 ARG 23 2HG ARG 23 9.135 3.162 -3.231 41 HG3 ARG 23 1HG ARG 23 7.386 3.294 -3.213 42 HD2 ARG 23 2HD ARG 23 9.031 4.129 -5.587 43 HD3 ARG 23 1HD ARG 23 8.510 2.466 -5.357 44 HE ARG 23 HE ARG 23 6.651 4.751 -5.646 45 HH11 ARG 23 1HH1 ARG 23 7.478 1.342 -6.234 46 HH12 ARG 23 2HH1 ARG 23 6.107 1.040 -7.185 47 HH21 ARG 23 1HH2 ARG 23 4.712 4.324 -6.938 48 HH22 ARG 23 2HH2 ARG 23 4.508 2.776 -7.575 49 H PHE 24 H PHE 24 6.203 5.890 -1.205 50 HA PHE 24 HA PHE 24 4.049 4.243 -2.278 51 HB2 PHE 24 2HB PHE 24 5.035 4.511 0.557 52 HB3 PHE 24 1HB PHE 24 3.625 3.563 0.091 53 HD1 PHE 24 2HD PHE 24 4.571 2.354 -2.452 54 HD2 PHE 24 1HD PHE 24 6.588 2.875 1.273 55 HE1 PHE 24 2HE PHE 24 5.985 0.464 -2.964 56 HE2 PHE 24 1HE PHE 24 8.018 0.959 0.736 57 HZ PHE 24 HZ PHE 24 7.724 -0.254 -1.374 58 H HIS 25 H HIS 25 4.347 7.230 -2.103 59 HA HIS 25 HA HIS 25 2.238 8.227 -0.500 60 HB2 HIS 25 2HB HIS 25 4.172 9.534 -1.494 61 HB3 HIS 25 1HB HIS 25 3.323 9.473 -3.032 62 HD1 HIS 25 1HD HIS 25 1.592 11.274 -3.422 63 HD2 HIS 25 2HD HIS 25 2.782 10.983 0.542 64 HE1 HIS 25 1HE HIS 25 0.591 13.253 -2.262 65 HE2 HIS 25 2HE HIS 25 1.108 12.885 0.169 66 H GLU 26 H GLU 26 2.508 6.991 -3.720 67 HA GLU 26 HA GLU 26 0.028 7.780 -4.758 68 HB2 GLU 26 2HB GLU 26 1.657 5.314 -5.394 69 HB3 GLU 26 1HB GLU 26 0.419 6.036 -6.415 70 HG2 GLU 26 2HG GLU 26 1.754 8.019 -6.715 71 HG3 GLU 26 1HG GLU 26 2.964 7.412 -5.590 72 H ILE 27 H ILE 27 1.058 4.961 -2.943 73 HA ILE 27 HA ILE 27 -1.453 3.643 -3.097 74 HB ILE 27 HB ILE 27 0.864 3.082 -1.177 75 HG12 ILE 27 2HG1 ILE 27 1.146 0.997 -2.613 76 HG13 ILE 27 1HG1 ILE 27 0.010 1.706 -3.743 77 HG21 ILE 27 1HG2 ILE 27 -1.241 2.297 -0.236 78 HG22 ILE 27 2HG2 ILE 27 -0.234 0.931 -0.721 79 HG23 ILE 27 3HG2 ILE 27 -1.598 1.425 -1.724 80 HD11 ILE 27 3HD1 ILE 27 2.691 2.839 -2.986 81 HD12 ILE 27 1HD1 ILE 27 1.576 3.534 -4.160 82 HD13 ILE 27 2HD1 ILE 27 2.323 1.964 -4.472 83 H GLU 28 H GLU 28 0.033 5.854 -0.861 84 HA GLU 28 HA GLU 28 -1.771 5.791 1.276 85 HB2 GLU 28 2HB GLU 28 0.283 7.113 1.344 86 HB3 GLU 28 1HB GLU 28 -0.303 8.128 0.039 87 HG2 GLU 28 2HG GLU 28 -2.233 8.721 1.616 88 HG3 GLU 28 1HG GLU 28 -1.226 8.028 2.886 89 H LYS 29 H LYS 29 -1.823 7.616 -1.741 90 HA LYS 29 HA LYS 29 -4.223 8.996 -1.172 91 HB2 LYS 29 2HB LYS 29 -3.366 8.428 -4.003 92 HB3 LYS 29 1HB LYS 29 -4.245 9.810 -3.391 93 HG2 LYS 29 2HG LYS 29 -1.306 9.233 -3.287 94 HG3 LYS 29 1HG LYS 29 -2.135 10.636 -3.934 95 HD2 LYS 29 2HD LYS 29 -1.793 9.923 -1.011 96 HD3 LYS 29 1HD LYS 29 -0.906 11.160 -1.882 97 HE2 LYS 29 2HE LYS 29 -3.034 12.382 -2.203 98 HE3 LYS 29 1HE LYS 29 -3.855 11.144 -1.254 99 HZ1 LYS 29 3HZ LYS 29 -3.327 12.869 0.279 100 HZ2 LYS 29 1HZ LYS 29 -1.773 13.040 -0.353 101 HZ3 LYS 29 2HZ LYS 29 -2.120 11.693 0.535 102 H PHE 30 H PHE 30 -3.491 6.011 -2.861 103 HA PHE 30 HA PHE 30 -6.063 5.361 -3.721 104 HB2 PHE 30 2HB PHE 30 -3.674 3.725 -3.038 105 HB3 PHE 30 1HB PHE 30 -5.219 2.918 -3.199 106 HD1 PHE 30 2HD PHE 30 -2.602 4.767 -4.995 107 HD2 PHE 30 1HD PHE 30 -6.279 2.673 -5.329 108 HE1 PHE 30 2HE PHE 30 -2.315 4.662 -7.440 109 HE2 PHE 30 1HE PHE 30 -6.007 2.558 -7.769 110 HZ PHE 30 HZ PHE 30 -4.022 3.556 -8.830 111 H LEU 31 H LEU 31 -4.475 4.643 -0.641 112 HA LEU 31 HA LEU 31 -6.604 3.128 0.391 113 HB2 LEU 31 2HB LEU 31 -4.529 4.688 1.918 114 HB3 LEU 31 1HB LEU 31 -5.607 3.495 2.608 115 HG LEU 31 HG LEU 31 -3.411 2.993 0.611 116 HD11 LEU 31 1HD1 LEU 31 -3.758 2.184 3.483 117 HD12 LEU 31 2HD1 LEU 31 -2.610 3.367 2.848 118 HD13 LEU 31 3HD1 LEU 31 -2.452 1.662 2.422 119 HD21 LEU 31 3HD2 LEU 31 -3.975 0.618 0.847 120 HD22 LEU 31 1HD2 LEU 31 -5.301 1.524 0.124 121 HD23 LEU 31 2HD2 LEU 31 -5.380 1.049 1.820 122 H LEU 32 H LEU 32 -5.942 6.590 0.705 123 HA LEU 32 HA LEU 32 -8.206 6.903 2.346 124 HB2 LEU 32 2HB LEU 32 -7.898 9.364 2.132 125 HB3 LEU 32 1HB LEU 32 -6.445 8.514 2.594 126 HG LEU 32 HG LEU 32 -5.777 8.723 0.119 127 HD11 LEU 32 1HD1 LEU 32 -7.912 9.455 -0.780 128 HD12 LEU 32 2HD1 LEU 32 -6.667 10.674 -1.046 129 HD13 LEU 32 3HD1 LEU 32 -7.861 10.898 0.233 130 HD21 LEU 32 3HD2 LEU 32 -4.832 10.955 0.545 131 HD22 LEU 32 1HD2 LEU 32 -4.657 9.871 1.926 132 HD23 LEU 32 2HD2 LEU 32 -5.902 11.119 1.933 133 H HIS 33 H HIS 33 -7.697 7.198 -1.079 134 HA HIS 33 HA HIS 33 -10.260 8.115 -1.768 135 HB2 HIS 33 2HB HIS 33 -8.524 8.222 -3.440 136 HB3 HIS 33 1HB HIS 33 -8.211 6.501 -3.307 137 HD1 HIS 33 1HD HIS 33 -8.693 5.807 -5.667 138 HD2 HIS 33 2HD HIS 33 -11.780 8.025 -4.025 139 HE1 HIS 33 1HE HIS 33 -10.581 5.601 -7.278 140 HE2 HIS 33 2HE HIS 33 -12.498 6.469 -5.923 141 H ILE 34 H ILE 34 -8.972 4.877 -1.280 142 HA ILE 34 HA ILE 34 -11.291 3.528 -2.047 143 HB ILE 34 HB ILE 34 -8.894 2.677 -0.410 144 HG12 ILE 34 2HG1 ILE 34 -9.835 1.980 -3.207 145 HG13 ILE 34 1HG1 ILE 34 -8.543 3.090 -2.791 146 HG21 ILE 34 1HG2 ILE 34 -10.772 1.351 0.413 147 HG22 ILE 34 2HG2 ILE 34 -9.658 0.363 -0.538 148 HG23 ILE 34 3HG2 ILE 34 -11.182 0.888 -1.242 149 HD11 ILE 34 3HD1 ILE 34 -8.580 0.125 -2.339 150 HD12 ILE 34 1HD1 ILE 34 -7.274 1.211 -1.842 151 HD13 ILE 34 2HD1 ILE 34 -7.647 1.001 -3.553 152 H THR 35 H THR 35 -10.191 4.637 1.134 153 HA THR 35 HA THR 35 -12.331 3.528 2.604 154 HB THR 35 HB THR 35 -10.959 6.142 3.134 155 HG1 THR 35 1HG THR 35 -9.363 4.471 2.929 156 HG21 THR 35 3HG2 THR 35 -12.899 5.731 4.562 157 HG22 THR 35 1HG2 THR 35 -11.419 5.645 5.519 158 HG23 THR 35 2HG2 THR 35 -12.240 4.166 5.030 159 H HIS 36 H HIS 36 -11.948 6.630 0.940 160 HA HIS 36 HA HIS 36 -14.468 7.744 1.579 161 HB2 HIS 36 2HB HIS 36 -12.487 9.008 0.705 162 HB3 HIS 36 1HB HIS 36 -12.743 8.251 -0.856 163 HD1 HIS 36 1HD HIS 36 -13.680 11.132 1.141 164 HD2 HIS 36 2HD HIS 36 -15.264 9.122 -2.119 165 HE1 HIS 36 1HE HIS 36 -15.271 12.743 0.061 166 HE2 HIS 36 2HE HIS 36 -16.433 11.361 -1.674 167 H GLU 37 H GLU 37 -13.316 5.727 -1.066 168 HA GLU 37 HA GLU 37 -15.533 5.688 -2.697 169 HB2 GLU 37 2HB GLU 37 -13.141 4.789 -3.027 170 HB3 GLU 37 1HB GLU 37 -13.694 3.371 -2.164 171 HG2 GLU 37 2HG GLU 37 -13.768 2.915 -4.475 172 HG3 GLU 37 1HG GLU 37 -15.432 3.077 -3.895 173 H VAL 38 H VAL 38 -14.626 3.649 0.078 174 HA VAL 38 HA VAL 38 -16.714 1.812 0.062 175 HB VAL 38 HB VAL 38 -15.163 2.981 2.404 176 HG11 VAL 38 1HG1 VAL 38 -15.823 0.921 3.615 177 HG12 VAL 38 2HG1 VAL 38 -16.785 0.415 2.230 178 HG13 VAL 38 3HG1 VAL 38 -17.249 1.850 3.145 179 HG21 VAL 38 3HG2 VAL 38 -14.759 0.469 0.819 180 HG22 VAL 38 1HG2 VAL 38 -13.831 0.968 2.227 181 HG23 VAL 38 2HG2 VAL 38 -13.762 1.926 0.748 182 H ASP 39 H ASP 39 -16.356 4.949 1.460 183 HA ASP 39 HA ASP 39 -18.750 4.954 2.847 184 HB2 ASP 39 2HB ASP 39 -16.931 6.434 3.458 185 HB3 ASP 39 1HB ASP 39 -17.022 7.244 1.907 186 H ASP 40 H ASP 40 -17.794 5.961 -0.379 187 HA ASP 40 HA ASP 40 -20.226 7.242 -1.013 188 HB2 ASP 40 2HB ASP 40 -18.036 7.848 -2.045 189 HB3 ASP 40 1HB ASP 40 -18.016 6.300 -2.854 190 H LEU 41 H LEU 41 -18.909 4.086 -1.264 191 HA LEU 41 HA LEU 41 -20.816 2.868 -3.031 192 HB2 LEU 41 2HB LEU 41 -19.488 1.472 -0.720 193 HB3 LEU 41 1HB LEU 41 -20.152 0.743 -2.157 194 HG LEU 41 HG LEU 41 -17.736 2.400 -1.894 195 HD11 LEU 41 1HD1 LEU 41 -17.460 0.135 -1.030 196 HD12 LEU 41 2HD1 LEU 41 -16.565 0.267 -2.543 197 HD13 LEU 41 3HD1 LEU 41 -18.129 -0.539 -2.511 198 HD21 LEU 41 3HD2 LEU 41 -18.922 1.164 -4.384 199 HD22 LEU 41 1HD2 LEU 41 -17.290 1.834 -4.297 200 HD23 LEU 41 2HD2 LEU 41 -18.688 2.875 -4.041 201 H GLU 42 H GLU 42 -20.455 3.255 0.345 202 HA GLU 42 HA GLU 42 -22.709 1.945 1.321 203 HB2 GLU 42 2HB GLU 42 -20.908 2.794 2.738 204 HB3 GLU 42 1HB GLU 42 -21.328 4.435 2.323 205 HG2 GLU 42 2HG GLU 42 -23.450 4.169 3.519 206 HG3 GLU 42 1HG GLU 42 -22.967 2.532 3.977 207 H LYS 43 H LYS 43 -22.269 5.017 -0.110 208 HA LYS 43 HA LYS 43 -24.906 6.131 0.351 209 HB2 LYS 43 2HB LYS 43 -23.119 7.616 0.560 210 HB3 LYS 43 1HB LYS 43 -22.250 6.915 -0.771 211 HG2 LYS 43 2HG LYS 43 -24.626 8.768 -1.047 212 HG3 LYS 43 1HG LYS 43 -22.912 9.230 -1.054 213 HD2 LYS 43 2HD LYS 43 -22.577 7.713 -2.995 214 HD3 LYS 43 1HD LYS 43 -24.314 7.474 -3.060 215 HE2 LYS 43 2HE LYS 43 -23.835 9.104 -4.666 216 HE3 LYS 43 1HE LYS 43 -24.496 9.985 -3.293 217 HZ1 LYS 43 3HZ LYS 43 -21.596 9.632 -3.733 218 HZ2 LYS 43 1HZ LYS 43 -22.323 10.692 -2.657 219 HZ3 LYS 43 2HZ LYS 43 -22.431 10.972 -4.320 220 H THR 44 H THR 44 -23.483 4.048 -1.871 221 HA THR 44 HA THR 44 -25.041 5.017 -4.145 222 HB THR 44 HB THR 44 -22.317 3.929 -3.816 223 HG1 THR 44 1HG THR 44 -22.054 5.889 -3.897 224 HG21 THR 44 3HG2 THR 44 -23.124 2.610 -5.578 225 HG22 THR 44 1HG2 THR 44 -21.977 3.823 -6.148 226 HG23 THR 44 2HG2 THR 44 -23.730 4.058 -6.457 227 H GLY 45 H GLY 45 -23.762 2.032 -2.737 228 HA2 GLY 45 2HA GLY 45 -26.068 0.519 -3.222 229 HA3 GLY 45 1HA GLY 45 -24.895 0.214 -4.499 230 H ASN 46 H ASN 46 -22.617 -0.146 -3.707 231 HA ASN 46 HA ASN 46 -21.004 -1.186 -2.462 232 HB2 ASN 46 2HB ASN 46 -22.020 0.121 -0.496 233 HB3 ASN 46 1HB ASN 46 -22.999 -1.291 -0.156 234 HD21 ASN 46 1HD2 ASN 46 -22.056 -3.004 0.875 235 HD22 ASN 46 2HD2 ASN 46 -20.466 -2.978 1.552 236 H LYS 47 H LYS 47 -23.195 -2.324 -3.934 237 HA LYS 47 HA LYS 47 -24.174 -4.814 -2.959 238 HB2 LYS 47 2HB LYS 47 -23.736 -3.978 -5.809 239 HB3 LYS 47 1HB LYS 47 -24.884 -5.159 -5.224 240 HG2 LYS 47 2HG LYS 47 -26.228 -3.457 -4.234 241 HG3 LYS 47 1HG LYS 47 -24.997 -2.234 -4.535 242 HD2 LYS 47 2HD LYS 47 -26.344 -3.782 -6.755 243 HD3 LYS 47 1HD LYS 47 -26.984 -2.270 -6.128 244 HE2 LYS 47 2HE LYS 47 -25.707 -1.866 -8.171 245 HE3 LYS 47 1HE LYS 47 -24.904 -1.112 -6.805 246 HZ1 LYS 47 3HZ LYS 47 -23.491 -2.343 -8.491 247 HZ2 LYS 47 1HZ LYS 47 -24.097 -3.760 -7.878 248 HZ3 LYS 47 2HZ LYS 47 -23.147 -2.710 -6.920 249 H ASP 48 H ASP 48 -21.683 -3.926 -5.217 250 HA ASP 48 HA ASP 48 -20.374 -6.550 -5.057 251 HB2 ASP 48 2HB ASP 48 -21.629 -6.929 -6.952 252 HB3 ASP 48 1HB ASP 48 -21.671 -5.233 -7.386 253 H GLU 49 H GLU 49 -20.343 -3.182 -5.611 254 HA GLU 49 HA GLU 49 -17.741 -2.711 -6.573 255 HB2 GLU 49 2HB GLU 49 -19.181 -0.912 -4.647 256 HB3 GLU 49 1HB GLU 49 -18.080 -0.465 -5.934 257 HG2 GLU 49 2HG GLU 49 -20.104 0.243 -6.777 258 HG3 GLU 49 1HG GLU 49 -19.986 -1.365 -7.486 259 H LYS 50 H LYS 50 -18.950 -3.320 -3.352 260 HA LYS 50 HA LYS 50 -16.660 -2.422 -1.996 261 HB2 LYS 50 2HB LYS 50 -19.079 -3.234 -1.149 262 HB3 LYS 50 1HB LYS 50 -18.209 -4.739 -0.918 263 HG2 LYS 50 2HG LYS 50 -17.540 -2.091 0.393 264 HG3 LYS 50 1HG LYS 50 -18.291 -3.472 1.160 265 HD2 LYS 50 2HD LYS 50 -15.580 -3.561 -0.080 266 HD3 LYS 50 1HD LYS 50 -15.904 -2.980 1.540 267 HE2 LYS 50 2HE LYS 50 -15.191 -5.280 1.710 268 HE3 LYS 50 1HE LYS 50 -16.893 -5.191 2.119 269 HZ1 LYS 50 3HZ LYS 50 -17.481 -6.220 0.148 270 HZ2 LYS 50 1HZ LYS 50 -16.189 -7.103 0.718 271 HZ3 LYS 50 2HZ LYS 50 -15.947 -6.054 -0.581 272 H ALA 51 H ALA 51 -17.594 -5.624 -3.137 273 HA ALA 51 HA ALA 51 -15.275 -6.997 -2.280 274 HB1 ALA 51 1HB ALA 51 -15.932 -8.759 -3.848 275 HB2 ALA 51 2HB ALA 51 -17.060 -7.653 -4.629 276 HB3 ALA 51 3HB ALA 51 -17.333 -8.156 -2.962 277 H ARG 52 H ARG 52 -16.055 -5.443 -5.319 278 HA ARG 52 HA ARG 52 -13.626 -6.134 -6.611 279 HB2 ARG 52 2HB ARG 52 -15.759 -4.120 -7.176 280 HB3 ARG 52 1HB ARG 52 -14.317 -4.246 -8.179 281 HG2 ARG 52 2HG ARG 52 -14.844 -6.431 -8.849 282 HG3 ARG 52 1HG ARG 52 -16.065 -6.597 -7.583 283 HD2 ARG 52 2HD ARG 52 -16.955 -6.221 -9.888 284 HD3 ARG 52 1HD ARG 52 -17.513 -5.088 -8.664 285 HE ARG 52 HE ARG 52 -15.211 -4.291 -10.228 286 HH11 ARG 52 1HH1 ARG 52 -18.699 -4.107 -9.745 287 HH12 ARG 52 2HH1 ARG 52 -18.867 -2.646 -10.635 288 HH21 ARG 52 1HH2 ARG 52 -15.411 -2.315 -11.367 289 HH22 ARG 52 2HH2 ARG 52 -16.945 -1.590 -11.590 290 H LEU 53 H LEU 53 -14.639 -3.246 -4.783 291 HA LEU 53 HA LEU 53 -12.363 -1.781 -5.235 292 HB2 LEU 53 2HB LEU 53 -14.354 -0.834 -4.373 293 HB3 LEU 53 1HB LEU 53 -14.334 -1.908 -2.988 294 HG LEU 53 HG LEU 53 -12.294 -0.992 -2.354 295 HD11 LEU 53 1HD1 LEU 53 -11.441 0.068 -4.359 296 HD12 LEU 53 2HD1 LEU 53 -11.771 1.411 -3.250 297 HD13 LEU 53 3HD1 LEU 53 -12.909 1.022 -4.534 298 HD21 LEU 53 3HD2 LEU 53 -13.254 1.103 -1.369 299 HD22 LEU 53 1HD2 LEU 53 -14.296 -0.313 -1.252 300 HD23 LEU 53 2HD2 LEU 53 -14.607 0.921 -2.476 301 H LEU 54 H LEU 54 -13.095 -4.298 -2.816 302 HA LEU 54 HA LEU 54 -10.683 -3.923 -1.433 303 HB2 LEU 54 2HB LEU 54 -12.466 -6.338 -1.534 304 HB3 LEU 54 1HB LEU 54 -10.985 -6.302 -0.600 305 HG LEU 54 HG LEU 54 -13.483 -4.697 -0.163 306 HD11 LEU 54 1HD1 LEU 54 -13.539 -6.871 0.797 307 HD12 LEU 54 2HD1 LEU 54 -13.255 -5.704 2.102 308 HD13 LEU 54 3HD1 LEU 54 -11.928 -6.667 1.472 309 HD21 LEU 54 3HD2 LEU 54 -11.685 -3.121 0.141 310 HD22 LEU 54 1HD2 LEU 54 -10.765 -4.308 1.073 311 HD23 LEU 54 2HD2 LEU 54 -12.252 -3.642 1.724 312 H ARG 55 H ARG 55 -11.492 -5.677 -4.209 313 HA ARG 55 HA ARG 55 -9.049 -7.163 -4.412 314 HB2 ARG 55 2HB ARG 55 -10.948 -6.281 -6.600 315 HB3 ARG 55 1HB ARG 55 -9.604 -7.391 -6.833 316 HG2 ARG 55 2HG ARG 55 -10.648 -8.971 -5.281 317 HG3 ARG 55 1HG ARG 55 -11.992 -7.850 -5.056 318 HD2 ARG 55 2HD ARG 55 -12.533 -9.623 -6.657 319 HD3 ARG 55 1HD ARG 55 -12.559 -8.031 -7.414 320 HE ARG 55 HE ARG 55 -10.163 -8.682 -8.093 321 HH11 ARG 55 1HH1 ARG 55 -12.947 -10.881 -8.039 322 HH12 ARG 55 2HH1 ARG 55 -12.233 -11.964 -9.164 323 HH21 ARG 55 1HH2 ARG 55 -9.288 -10.142 -9.685 324 HH22 ARG 55 2HH2 ARG 55 -10.165 -11.542 -10.105 325 H GLU 56 H GLU 56 -10.100 -4.029 -5.411 326 HA GLU 56 HA GLU 56 -7.839 -3.291 -6.870 327 HB2 GLU 56 2HB GLU 56 -9.993 -2.162 -7.042 328 HB3 GLU 56 1HB GLU 56 -9.859 -1.619 -5.380 329 HG2 GLU 56 2HG GLU 56 -8.131 -0.150 -5.899 330 HG3 GLU 56 1HG GLU 56 -7.899 -0.853 -7.506 331 H LEU 57 H LEU 57 -8.528 -3.106 -3.361 332 HA LEU 57 HA LEU 57 -6.033 -1.807 -3.017 333 HB2 LEU 57 2HB LEU 57 -6.242 -2.090 -0.546 334 HB3 LEU 57 1HB LEU 57 -7.524 -1.182 -1.277 335 HG LEU 57 HG LEU 57 -8.965 -3.233 -1.045 336 HD11 LEU 57 1HD1 LEU 57 -8.313 -4.953 0.503 337 HD12 LEU 57 2HD1 LEU 57 -6.770 -4.162 0.794 338 HD13 LEU 57 3HD1 LEU 57 -7.106 -4.874 -0.788 339 HD21 LEU 57 3HD2 LEU 57 -7.806 -1.965 1.421 340 HD22 LEU 57 1HD2 LEU 57 -9.324 -2.856 1.358 341 HD23 LEU 57 2HD2 LEU 57 -9.150 -1.362 0.449 342 H THR 58 H THR 58 -7.023 -5.038 -3.078 343 HA THR 58 HA THR 58 -4.718 -6.168 -2.059 344 HB THR 58 HB THR 58 -6.343 -7.374 -4.335 345 HG1 THR 58 1HG THR 58 -7.609 -6.628 -2.380 346 HG21 THR 58 3HG2 THR 58 -5.697 -9.508 -3.299 347 HG22 THR 58 1HG2 THR 58 -4.808 -8.636 -2.051 348 HG23 THR 58 2HG2 THR 58 -4.263 -8.568 -3.724 349 H VAL 59 H VAL 59 -5.512 -4.890 -5.224 350 HA VAL 59 HA VAL 59 -3.092 -5.633 -6.518 351 HB VAL 59 HB VAL 59 -5.063 -3.435 -7.258 352 HG11 VAL 59 1HG1 VAL 59 -2.918 -4.751 -8.932 353 HG12 VAL 59 2HG1 VAL 59 -2.884 -3.096 -8.328 354 HG13 VAL 59 3HG1 VAL 59 -4.104 -3.580 -9.509 355 HG21 VAL 59 3HG2 VAL 59 -5.931 -5.073 -8.860 356 HG22 VAL 59 1HG2 VAL 59 -6.089 -5.633 -7.194 357 HG23 VAL 59 2HG2 VAL 59 -4.813 -6.278 -8.224 358 H SER 60 H SER 60 -4.152 -2.590 -4.942 359 HA SER 60 HA SER 60 -1.692 -1.301 -5.360 360 HB2 SER 60 2HB SER 60 -2.543 0.142 -3.301 361 HB3 SER 60 1HB SER 60 -3.344 0.253 -4.865 362 HG SER 60 HG SER 60 -5.010 -0.864 -4.120 363 H GLU 61 H GLU 61 -2.739 -3.410 -3.183 364 HA GLU 61 HA GLU 61 -0.760 -3.378 -1.111 365 HB2 GLU 61 2HB GLU 61 -2.953 -4.550 -0.972 366 HB3 GLU 61 1HB GLU 61 -2.393 -5.694 -2.172 367 HG2 GLU 61 2HG GLU 61 -0.662 -6.419 -0.639 368 HG3 GLU 61 1HG GLU 61 -1.308 -5.265 0.553 369 H ALA 62 H ALA 62 -1.129 -5.083 -4.146 370 HA ALA 62 HA ALA 62 1.239 -6.585 -4.065 371 HB1 ALA 62 1HB ALA 62 -0.292 -5.655 -6.494 372 HB2 ALA 62 2HB ALA 62 -0.621 -7.127 -5.580 373 HB3 ALA 62 3HB ALA 62 0.902 -6.952 -6.454 374 H PHE 63 H PHE 63 0.585 -3.279 -5.116 375 HA PHE 63 HA PHE 63 3.187 -2.911 -6.265 376 HB2 PHE 63 2HB PHE 63 1.898 -0.587 -4.828 377 HB3 PHE 63 1HB PHE 63 2.891 -0.560 -6.272 378 HD1 PHE 63 1HD PHE 63 1.322 -2.712 -7.795 379 HD2 PHE 63 2HD PHE 63 0.167 0.701 -5.550 380 HE1 PHE 63 1HE PHE 63 -0.807 -2.633 -9.002 381 HE2 PHE 63 2HE PHE 63 -1.957 0.778 -6.748 382 HZ PHE 63 HZ PHE 63 -2.473 -0.924 -8.393 383 H ILE 64 H ILE 64 1.924 -2.443 -2.988 384 HA ILE 64 HA ILE 64 4.312 -1.546 -1.798 385 HB ILE 64 HB ILE 64 1.991 -3.101 -0.645 386 HG12 ILE 64 2HG1 ILE 64 1.597 -0.726 -1.199 387 HG13 ILE 64 1HG1 ILE 64 1.465 -1.051 0.529 388 HG21 ILE 64 1HG2 ILE 64 3.902 -3.805 0.668 389 HG22 ILE 64 2HG2 ILE 64 2.866 -2.746 1.625 390 HG23 ILE 64 3HG2 ILE 64 4.367 -2.124 0.941 391 HD11 ILE 64 3HD1 ILE 64 2.625 1.052 0.120 392 HD12 ILE 64 1HD1 ILE 64 3.841 0.218 -0.833 393 HD13 ILE 64 2HD1 ILE 64 3.696 -0.109 0.882 394 H GLU 65 H GLU 65 3.086 -4.839 -2.097 395 HA GLU 65 HA GLU 65 5.385 -5.965 -0.908 396 HB2 GLU 65 2HB GLU 65 3.350 -7.304 -2.674 397 HB3 GLU 65 1HB GLU 65 4.577 -8.141 -1.735 398 HG2 GLU 65 2HG GLU 65 3.585 -7.001 0.303 399 HG3 GLU 65 1HG GLU 65 2.232 -6.560 -0.735 400 H GLY 66 H GLY 66 4.546 -5.469 -4.293 401 HA2 GLY 66 2HA GLY 66 6.794 -6.815 -5.356 402 HA3 GLY 66 1HA GLY 66 5.804 -5.632 -6.194 403 H SER 67 H SER 67 6.229 -3.400 -4.519 404 HA SER 67 HA SER 67 8.727 -2.542 -5.505 405 HB2 SER 67 2HB SER 67 6.729 -1.053 -5.185 406 HB3 SER 67 1HB SER 67 6.936 -1.243 -3.448 407 HG SER 67 HG SER 67 9.005 -0.266 -5.104 408 H ARG 68 H ARG 68 7.541 -3.764 -2.430 409 HA ARG 68 HA ARG 68 9.969 -3.197 -1.142 410 HB2 ARG 68 2HB ARG 68 7.763 -5.103 -0.387 411 HB3 ARG 68 1HB ARG 68 9.236 -4.952 0.560 412 HG2 ARG 68 2HG ARG 68 8.718 -2.565 0.935 413 HG3 ARG 68 1HG ARG 68 7.222 -2.773 0.028 414 HD2 ARG 68 2HD ARG 68 6.935 -2.891 2.510 415 HD3 ARG 68 1HD ARG 68 6.362 -4.318 1.647 416 HE ARG 68 HE ARG 68 8.644 -5.257 2.233 417 HH11 ARG 68 1HH1 ARG 68 7.003 -2.992 4.425 418 HH12 ARG 68 2HH1 ARG 68 7.746 -3.643 5.807 419 HH21 ARG 68 1HH2 ARG 68 9.568 -6.104 4.105 420 HH22 ARG 68 2HH2 ARG 68 9.202 -5.486 5.654 421 H GLY 69 H GLY 69 8.854 -5.882 -2.997 422 HA2 GLY 69 2HA GLY 69 11.082 -7.563 -2.575 423 HA3 GLY 69 1HA GLY 69 10.030 -7.563 -3.992 424 H TYR 70 H TYR 70 10.552 -4.704 -4.398 425 HA TYR 70 HA TYR 70 12.762 -4.924 -6.230 426 HB2 TYR 70 2HB TYR 70 10.838 -3.467 -6.734 427 HB3 TYR 70 1HB TYR 70 11.131 -2.540 -5.280 428 HD1 TYR 70 1HD TYR 70 13.073 -0.926 -5.224 429 HD2 TYR 70 2HD TYR 70 11.978 -3.018 -8.771 430 HE1 TYR 70 1HE TYR 70 14.318 0.708 -6.571 431 HE2 TYR 70 2HE TYR 70 13.236 -1.388 -10.117 432 HH TYR 70 HH TYR 70 15.381 0.855 -8.748 433 H PHE 71 H PHE 71 12.099 -3.260 -3.229 434 HA PHE 71 HA PHE 71 14.666 -2.259 -2.870 435 HB2 PHE 71 2HB PHE 71 12.504 -2.751 -0.814 436 HB3 PHE 71 1HB PHE 71 14.008 -1.896 -0.479 437 HD1 PHE 71 2HD PHE 71 14.480 -0.133 -2.605 438 HD2 PHE 71 1HD PHE 71 10.722 -1.282 -0.985 439 HE1 PHE 71 2HE PHE 71 13.486 1.938 -3.463 440 HE2 PHE 71 1HE PHE 71 9.721 0.784 -1.854 441 HZ PHE 71 HZ PHE 71 11.104 2.398 -3.097 442 H GLN 72 H GLN 72 13.252 -5.342 -1.903 443 HA GLN 72 HA GLN 72 15.384 -6.274 -0.357 444 HB2 GLN 72 2HB GLN 72 13.484 -7.759 -2.155 445 HB3 GLN 72 1HB GLN 72 14.652 -8.551 -1.113 446 HG2 GLN 72 2HG GLN 72 13.548 -7.534 0.839 447 HG3 GLN 72 1HG GLN 72 12.360 -6.811 -0.246 448 HE21 GLN 72 1HE2 GLN 72 12.089 -8.814 1.895 449 HE22 GLN 72 2HE2 GLN 72 11.308 -10.164 1.172 450 H ARG 73 H ARG 73 14.870 -6.219 -3.845 451 HA ARG 73 HA ARG 73 17.179 -7.772 -4.442 452 HB2 ARG 73 2HB ARG 73 15.800 -5.807 -6.286 453 HB3 ARG 73 1HB ARG 73 16.906 -7.079 -6.767 454 HG2 ARG 73 2HG ARG 73 14.064 -7.291 -5.856 455 HG3 ARG 73 1HG ARG 73 14.822 -7.935 -7.310 456 HD2 ARG 73 2HD ARG 73 15.159 -8.876 -4.482 457 HD3 ARG 73 1HD ARG 73 14.328 -9.738 -5.770 458 HE ARG 73 HE ARG 73 16.914 -9.321 -6.663 459 HH11 ARG 73 1HH1 ARG 73 15.378 -11.107 -4.020 460 HH12 ARG 73 2HH1 ARG 73 16.639 -12.239 -3.862 461 HH21 ARG 73 1HH2 ARG 73 18.645 -10.847 -6.426 462 HH22 ARG 73 2HH2 ARG 73 18.566 -12.082 -5.278 463 H GLU 74 H GLU 74 16.548 -4.412 -4.022 464 HA GLU 74 HA GLU 74 19.073 -3.445 -4.820 465 HB2 GLU 74 2HB GLU 74 17.063 -2.290 -2.887 466 HB3 GLU 74 1HB GLU 74 18.457 -1.424 -3.508 467 HG2 GLU 74 2HG GLU 74 16.184 -2.483 -5.172 468 HG3 GLU 74 1HG GLU 74 16.376 -0.812 -4.644 469 H LEU 75 H LEU 75 17.851 -4.727 -1.843 470 HA LEU 75 HA LEU 75 20.135 -4.127 -0.266 471 HB2 LEU 75 2HB LEU 75 17.957 -6.188 0.052 472 HB3 LEU 75 1HB LEU 75 19.223 -5.948 1.237 473 HG LEU 75 HG LEU 75 17.272 -3.786 0.416 474 HD11 LEU 75 1HD1 LEU 75 16.162 -4.204 2.533 475 HD12 LEU 75 2HD1 LEU 75 17.227 -5.579 2.841 476 HD13 LEU 75 3HD1 LEU 75 16.076 -5.632 1.502 477 HD21 LEU 75 3HD2 LEU 75 19.368 -2.956 1.327 478 HD22 LEU 75 1HD2 LEU 75 19.202 -4.032 2.715 479 HD23 LEU 75 2HD2 LEU 75 18.052 -2.721 2.480 480 H LYS 76 H LYS 76 19.617 -6.319 -2.766 481 HA LYS 76 HA LYS 76 21.613 -8.213 -1.798 482 HB2 LYS 76 2HB LYS 76 19.948 -8.313 -4.321 483 HB3 LYS 76 1HB LYS 76 21.007 -9.593 -3.763 484 HG2 LYS 76 2HG LYS 76 18.504 -8.612 -2.382 485 HG3 LYS 76 1HG LYS 76 18.674 -10.110 -3.290 486 HD2 LYS 76 2HD LYS 76 20.227 -9.436 -0.782 487 HD3 LYS 76 1HD LYS 76 18.751 -10.393 -0.824 488 HE2 LYS 76 2HE LYS 76 19.817 -12.093 -2.145 489 HE3 LYS 76 1HE LYS 76 21.259 -11.100 -2.336 490 HZ1 LYS 76 3HZ LYS 76 21.518 -12.834 -0.659 491 HZ2 LYS 76 1HZ LYS 76 20.263 -12.177 0.248 492 HZ3 LYS 76 2HZ LYS 76 21.705 -11.311 0.004 493 H ARG 77 H ARG 77 21.521 -5.404 -3.434 494 HA ARG 77 HA ARG 77 23.177 -5.587 -5.653 495 HB2 ARG 77 2HB ARG 77 22.503 -3.422 -3.750 496 HB3 ARG 77 1HB ARG 77 23.835 -3.163 -4.864 497 HG2 ARG 77 2HG ARG 77 22.523 -3.293 -6.681 498 HG3 ARG 77 1HG ARG 77 21.189 -4.115 -5.829 499 HD2 ARG 77 2HD ARG 77 20.646 -1.770 -6.356 500 HD3 ARG 77 1HD ARG 77 20.740 -2.048 -4.623 501 HE ARG 77 HE ARG 77 23.221 -1.108 -5.584 502 HH11 ARG 77 1HH1 ARG 77 19.873 0.060 -5.115 503 HH12 ARG 77 2HH1 ARG 77 20.431 1.606 -4.593 504 HH21 ARG 77 1HH2 ARG 77 23.839 1.081 -4.918 505 HH22 ARG 77 2HH2 ARG 77 22.570 2.187 -4.546 506 H THR 78 H THR 78 24.038 -5.290 -2.277 507 HA THR 78 HA THR 78 25.947 -5.346 -1.124 508 HB THR 78 HB THR 78 27.495 -6.061 -3.650 509 HG1 THR 78 1HG THR 78 25.915 -7.684 -1.911 510 HG21 THR 78 3HG2 THR 78 28.813 -5.487 -1.658 511 HG22 THR 78 1HG2 THR 78 28.966 -7.199 -2.041 512 HG23 THR 78 2HG2 THR 78 27.918 -6.685 -0.724 513 H ASP 79 H ASP 79 26.153 -3.782 -4.262 514 HA ASP 79 HA ASP 79 27.755 -1.623 -3.218 515 HB2 ASP 79 2HB ASP 79 28.153 -2.256 -5.532 516 HB3 ASP 79 1HB ASP 79 26.456 -2.016 -5.927 517 H LEU 80 H LEU 80 26.276 -1.237 -1.582 518 HA LEU 80 HA LEU 80 24.569 1.100 -1.994 519 HB2 LEU 80 2HB LEU 80 22.677 0.190 -0.909 520 HB3 LEU 80 1HB LEU 80 23.075 -1.050 -2.053 521 HG LEU 80 HG LEU 80 23.796 -1.177 0.886 522 HD11 LEU 80 1HD1 LEU 80 21.490 -2.369 -0.626 523 HD12 LEU 80 2HD1 LEU 80 21.427 -1.186 0.695 524 HD13 LEU 80 3HD1 LEU 80 21.972 -2.828 1.005 525 HD21 LEU 80 3HD2 LEU 80 23.772 -3.312 -1.241 526 HD22 LEU 80 1HD2 LEU 80 24.124 -3.556 0.469 527 HD23 LEU 80 2HD2 LEU 80 25.212 -2.587 -0.525 528 H ASP 81 H ASP 81 24.257 2.106 -0.166 529 HA ASP 81 HA ASP 81 26.334 1.608 1.831 530 HB2 ASP 81 2HB ASP 81 27.028 3.290 0.120 531 HB3 ASP 81 1HB ASP 81 25.624 4.255 0.542 532 H LEU 82 H LEU 82 25.737 3.449 3.688 533 HA LEU 82 HA LEU 82 23.308 2.618 4.724 534 HB2 LEU 82 2HB LEU 82 23.472 4.499 6.379 535 HB3 LEU 82 1HB LEU 82 24.865 3.454 6.305 536 HG LEU 82 HG LEU 82 24.954 6.039 4.794 537 HD11 LEU 82 1HD1 LEU 82 25.734 7.172 6.823 538 HD12 LEU 82 2HD1 LEU 82 25.469 5.710 7.763 539 HD13 LEU 82 3HD1 LEU 82 24.092 6.580 7.083 540 HD21 LEU 82 3HD2 LEU 82 26.850 4.532 4.572 541 HD22 LEU 82 1HD2 LEU 82 26.952 4.382 6.332 542 HD23 LEU 82 2HD2 LEU 82 27.301 5.914 5.557 543 H LEU 83 H LEU 83 24.041 5.234 2.658 544 HA LEU 83 HA LEU 83 21.703 6.769 2.663 545 HB2 LEU 83 2HB LEU 83 23.638 5.976 0.529 546 HB3 LEU 83 1HB LEU 83 22.267 6.938 0.142 547 HG LEU 83 HG LEU 83 24.179 8.404 0.388 548 HD11 LEU 83 1HD1 LEU 83 22.271 8.738 2.680 549 HD12 LEU 83 2HD1 LEU 83 22.045 9.294 1.022 550 HD13 LEU 83 3HD1 LEU 83 23.325 9.989 2.019 551 HD21 LEU 83 3HD2 LEU 83 25.522 7.053 1.932 552 HD22 LEU 83 1HD2 LEU 83 24.392 7.421 3.232 553 HD23 LEU 83 2HD2 LEU 83 25.353 8.711 2.504 554 H GLU 84 H GLU 84 22.467 3.946 0.782 555 HA GLU 84 HA GLU 84 20.003 3.940 -0.627 556 HB2 GLU 84 2HB GLU 84 22.126 1.886 -0.191 557 HB3 GLU 84 1HB GLU 84 20.777 1.648 -1.299 558 HG2 GLU 84 2HG GLU 84 22.868 3.811 -1.484 559 HG3 GLU 84 1HG GLU 84 22.819 2.342 -2.458 560 H LYS 85 H LYS 85 21.360 2.220 2.028 561 HA LYS 85 HA LYS 85 19.347 0.405 2.657 562 HB2 LYS 85 2HB LYS 85 21.287 1.858 4.440 563 HB3 LYS 85 1HB LYS 85 20.234 0.569 4.984 564 HG2 LYS 85 2HG LYS 85 22.207 0.191 2.755 565 HG3 LYS 85 1HG LYS 85 22.635 -0.028 4.448 566 HD2 LYS 85 2HD LYS 85 20.403 -1.503 3.047 567 HD3 LYS 85 1HD LYS 85 22.029 -2.136 3.270 568 HE2 LYS 85 2HE LYS 85 20.111 -1.378 5.492 569 HE3 LYS 85 1HE LYS 85 20.480 -3.005 4.953 570 HZ1 LYS 85 3HZ LYS 85 21.742 -2.493 6.908 571 HZ2 LYS 85 1HZ LYS 85 22.428 -1.123 6.207 572 HZ3 LYS 85 2HZ LYS 85 22.798 -2.644 5.619 573 H PHE 86 H PHE 86 19.782 3.811 3.500 574 HA PHE 86 HA PHE 86 17.810 3.799 5.391 575 HB2 PHE 86 2HB PHE 86 19.403 5.593 5.426 576 HB3 PHE 86 1HB PHE 86 18.952 6.101 3.806 577 HD1 PHE 86 2HD PHE 86 17.598 5.758 7.251 578 HD2 PHE 86 1HD PHE 86 17.347 7.759 3.499 579 HE1 PHE 86 2HE PHE 86 15.932 7.301 8.188 580 HE2 PHE 86 1HE PHE 86 15.679 9.301 4.429 581 HZ PHE 86 HZ PHE 86 14.964 9.070 6.768 582 H ASN 87 H ASN 87 17.708 4.180 2.022 583 HA ASN 87 HA ASN 87 15.096 5.329 1.881 584 HB2 ASN 87 2HB ASN 87 16.995 4.288 -0.205 585 HB3 ASN 87 1HB ASN 87 15.330 4.686 -0.610 586 HD21 ASN 87 1HD2 ASN 87 18.462 5.981 0.296 587 HD22 ASN 87 2HD2 ASN 87 18.050 7.614 -0.025 588 H PHE 88 H PHE 88 16.527 2.166 1.689 589 HA PHE 88 HA PHE 88 14.101 0.961 0.781 590 HB2 PHE 88 2HB PHE 88 16.350 -0.521 2.139 591 HB3 PHE 88 1HB PHE 88 15.204 -1.157 0.976 592 HD1 PHE 88 1HD PHE 88 15.446 1.100 -1.074 593 HD2 PHE 88 2HD PHE 88 18.324 -1.110 1.131 594 HE1 PHE 88 1HE PHE 88 17.133 1.578 -2.794 595 HE2 PHE 88 2HE PHE 88 19.997 -0.637 -0.585 596 HZ PHE 88 HZ PHE 88 19.435 0.719 -2.490 597 H GLU 89 H GLU 89 15.823 1.267 3.864 598 HA GLU 89 HA GLU 89 13.857 -0.181 5.249 599 HB2 GLU 89 2HB GLU 89 15.936 1.767 6.271 600 HB3 GLU 89 1HB GLU 89 14.904 0.782 7.299 601 HG2 GLU 89 2HG GLU 89 15.882 -1.247 6.245 602 HG3 GLU 89 1HG GLU 89 16.993 -0.201 5.364 603 H ALA 90 H ALA 90 14.243 3.142 4.233 604 HA ALA 90 HA ALA 90 12.207 4.055 6.031 605 HB1 ALA 90 1HB ALA 90 12.123 6.140 4.746 606 HB2 ALA 90 2HB ALA 90 13.078 5.393 3.463 607 HB3 ALA 90 3HB ALA 90 13.794 5.664 5.050 608 H ALA 91 H ALA 91 12.220 2.958 2.725 609 HA ALA 91 HA ALA 91 9.456 3.445 2.290 610 HB1 ALA 91 1HB ALA 91 11.110 3.307 0.467 611 HB2 ALA 91 2HB ALA 91 9.749 2.211 0.236 612 HB3 ALA 91 3HB ALA 91 11.299 1.590 0.804 613 H LEU 92 H LEU 92 11.290 0.611 3.285 614 HA LEU 92 HA LEU 92 9.154 -1.209 3.209 615 HB2 LEU 92 2HB LEU 92 11.432 -1.212 5.207 616 HB3 LEU 92 1HB LEU 92 10.373 -2.560 4.879 617 HG LEU 92 HG LEU 92 12.462 -1.398 3.042 618 HD11 LEU 92 1HD1 LEU 92 12.294 -4.059 4.423 619 HD12 LEU 92 2HD1 LEU 92 13.393 -2.735 4.810 620 HD13 LEU 92 3HD1 LEU 92 13.531 -3.574 3.266 621 HD21 LEU 92 3HD2 LEU 92 10.531 -3.659 2.531 622 HD22 LEU 92 1HD2 LEU 92 11.917 -3.251 1.513 623 HD23 LEU 92 2HD2 LEU 92 10.597 -2.103 1.696 624 H ALA 93 H ALA 93 10.188 1.002 5.731 625 HA ALA 93 HA ALA 93 8.285 0.131 7.616 626 HB1 ALA 93 1HB ALA 93 10.322 1.336 8.253 627 HB2 ALA 93 2HB ALA 93 8.874 2.154 8.843 628 HB3 ALA 93 3HB ALA 93 9.724 2.772 7.425 629 H THR 94 H THR 94 8.268 2.512 5.038 630 HA THR 94 HA THR 94 5.977 3.802 5.957 631 HB THR 94 HB THR 94 7.223 3.768 3.198 632 HG1 THR 94 1HG THR 94 8.633 4.761 4.520 633 HG21 THR 94 3HG2 THR 94 5.940 5.836 2.783 634 HG22 THR 94 1HG2 THR 94 5.147 5.660 4.348 635 HG23 THR 94 2HG2 THR 94 4.863 4.471 3.080 636 H GLY 95 H GLY 95 6.676 1.319 3.556 637 HA2 GLY 95 2HA GLY 95 4.091 1.001 2.585 638 HA3 GLY 95 1HA GLY 95 5.407 -0.167 2.459 639 H ASP 96 H ASP 96 5.864 -0.613 5.196 640 HA ASP 96 HA ASP 96 3.877 -2.595 5.588 641 HB2 ASP 96 2HB ASP 96 6.184 -2.928 6.340 642 HB3 ASP 96 1HB ASP 96 5.986 -1.654 7.535 643 H LEU 97 H LEU 97 4.387 0.568 7.029 644 HA LEU 97 HA LEU 97 2.442 0.258 9.053 645 HB2 LEU 97 2HB LEU 97 3.446 2.789 7.756 646 HB3 LEU 97 1HB LEU 97 2.424 2.741 9.176 647 HG LEU 97 HG LEU 97 5.249 1.737 8.950 648 HD11 LEU 97 1HD1 LEU 97 5.726 3.458 10.610 649 HD12 LEU 97 2HD1 LEU 97 4.043 3.982 10.547 650 HD13 LEU 97 3HD1 LEU 97 5.072 4.145 9.123 651 HD21 LEU 97 3HD2 LEU 97 3.325 1.579 11.262 652 HD22 LEU 97 1HD2 LEU 97 5.054 1.211 11.345 653 HD23 LEU 97 2HD2 LEU 97 3.987 0.232 10.338 654 H LEU 98 H LEU 98 2.196 1.733 5.855 655 HA LEU 98 HA LEU 98 -0.595 2.137 6.194 656 HB2 LEU 98 2HB LEU 98 -0.665 2.767 3.879 657 HB3 LEU 98 1HB LEU 98 0.761 3.473 4.615 658 HG LEU 98 HG LEU 98 1.781 1.251 3.763 659 HD11 LEU 98 1HD1 LEU 98 -0.378 1.819 1.730 660 HD12 LEU 98 2HD1 LEU 98 -0.177 0.359 2.701 661 HD13 LEU 98 3HD1 LEU 98 0.995 0.750 1.442 662 HD21 LEU 98 3HD2 LEU 98 2.642 2.507 1.775 663 HD22 LEU 98 1HD2 LEU 98 2.704 3.425 3.278 664 HD23 LEU 98 2HD2 LEU 98 1.434 3.752 2.097 665 H LEU 99 H LEU 99 1.349 -0.559 5.190 666 HA LEU 99 HA LEU 99 -0.652 -1.982 3.811 667 HB2 LEU 99 2HB LEU 99 1.795 -2.384 3.537 668 HB3 LEU 99 1HB LEU 99 1.861 -2.987 5.166 669 HG LEU 99 HG LEU 99 2.001 -4.699 3.314 670 HD11 LEU 99 1HD1 LEU 99 -0.189 -5.058 5.342 671 HD12 LEU 99 2HD1 LEU 99 1.523 -5.413 5.563 672 HD13 LEU 99 3HD1 LEU 99 0.569 -6.353 4.415 673 HD21 LEU 99 3HD2 LEU 99 -0.073 -5.434 2.279 674 HD22 LEU 99 1HD2 LEU 99 0.314 -3.771 1.833 675 HD23 LEU 99 2HD2 LEU 99 -0.937 -4.095 3.038 676 H LYS 100 H LYS 100 0.508 -1.949 7.120 677 HA LYS 100 HA LYS 100 -1.294 -3.948 7.860 678 HB2 LYS 100 2HB LYS 100 -0.664 -3.481 10.190 679 HB3 LYS 100 1HB LYS 100 0.755 -3.590 9.172 680 HG2 LYS 100 2HG LYS 100 0.645 -1.025 9.092 681 HG3 LYS 100 1HG LYS 100 -0.455 -1.176 10.462 682 HD2 LYS 100 2HD LYS 100 2.369 -2.233 10.323 683 HD3 LYS 100 1HD LYS 100 1.844 -0.815 11.218 684 HE2 LYS 100 2HE LYS 100 0.450 -2.226 12.642 685 HE3 LYS 100 1HE LYS 100 0.921 -3.639 11.698 686 HZ1 LYS 100 3HZ LYS 100 2.689 -1.969 13.405 687 HZ2 LYS 100 1HZ LYS 100 3.244 -3.184 12.367 688 HZ3 LYS 100 2HZ LYS 100 2.235 -3.576 13.648 689 H ASP 101 H ASP 101 -1.391 -0.487 7.548 690 HA ASP 101 HA ASP 101 -3.835 -0.199 8.989 691 HB2 ASP 101 2HB ASP 101 -2.319 1.719 8.598 692 HB3 ASP 101 1HB ASP 101 -2.641 1.608 6.872 693 H LEU 102 H LEU 102 -2.908 -0.856 5.738 694 HA LEU 102 HA LEU 102 -5.310 -0.679 4.345 695 HB2 LEU 102 2HB LEU 102 -3.042 -0.858 3.340 696 HB3 LEU 102 1HB LEU 102 -2.934 -2.504 3.889 697 HG LEU 102 HG LEU 102 -4.992 -1.625 1.843 698 HD11 LEU 102 1HD1 LEU 102 -3.426 -2.387 0.133 699 HD12 LEU 102 2HD1 LEU 102 -2.214 -2.715 1.371 700 HD13 LEU 102 3HD1 LEU 102 -2.717 -1.059 1.053 701 HD21 LEU 102 3HD2 LEU 102 -4.844 -4.009 1.187 702 HD22 LEU 102 1HD2 LEU 102 -5.403 -3.814 2.856 703 HD23 LEU 102 2HD2 LEU 102 -3.735 -4.281 2.522 704 H LYS 103 H LYS 103 -3.808 -3.495 5.918 705 HA LYS 103 HA LYS 103 -5.948 -5.254 5.413 706 HB2 LYS 103 2HB LYS 103 -3.701 -5.287 7.358 707 HB3 LYS 103 1HB LYS 103 -5.052 -6.361 7.662 708 HG2 LYS 103 2HG LYS 103 -3.322 -7.549 6.500 709 HG3 LYS 103 1HG LYS 103 -4.718 -7.373 5.448 710 HD2 LYS 103 2HD LYS 103 -3.609 -5.555 4.271 711 HD3 LYS 103 1HD LYS 103 -2.227 -5.679 5.362 712 HE2 LYS 103 2HE LYS 103 -1.687 -6.845 3.337 713 HE3 LYS 103 1HE LYS 103 -1.921 -8.029 4.619 714 HZ1 LYS 103 3HZ LYS 103 -3.013 -8.830 2.698 715 HZ2 LYS 103 1HZ LYS 103 -3.723 -7.350 2.387 716 HZ3 LYS 103 2HZ LYS 103 -4.270 -8.286 3.684 717 H ALA 104 H ALA 104 -5.419 -3.005 8.058 718 HA ALA 104 HA ALA 104 -7.538 -3.993 9.644 719 HB1 ALA 104 1HB ALA 104 -7.256 -1.928 10.926 720 HB2 ALA 104 2HB ALA 104 -6.194 -1.297 9.664 721 HB3 ALA 104 3HB ALA 104 -5.708 -2.704 10.602 722 H LEU 105 H LEU 105 -7.245 -1.418 7.257 723 HA LEU 105 HA LEU 105 -9.860 -0.545 7.743 724 HB2 LEU 105 2HB LEU 105 -9.599 1.057 6.054 725 HB3 LEU 105 1HB LEU 105 -7.956 0.805 6.590 726 HG LEU 105 HG LEU 105 -8.086 -0.963 4.561 727 HD11 LEU 105 1HD1 LEU 105 -9.190 0.074 2.643 728 HD12 LEU 105 2HD1 LEU 105 -9.913 1.265 3.724 729 HD13 LEU 105 3HD1 LEU 105 -10.303 -0.447 3.905 730 HD21 LEU 105 3HD2 LEU 105 -6.841 0.616 3.246 731 HD22 LEU 105 1HD2 LEU 105 -6.395 0.836 4.938 732 HD23 LEU 105 2HD2 LEU 105 -7.513 1.963 4.158 733 H GLN 106 H GLN 106 -8.323 -2.816 5.552 734 HA GLN 106 HA GLN 106 -10.505 -3.332 3.914 735 HB2 GLN 106 2HB GLN 106 -8.253 -3.959 3.264 736 HB3 GLN 106 1HB GLN 106 -8.100 -4.998 4.663 737 HG2 GLN 106 2HG GLN 106 -10.208 -5.545 2.654 738 HG3 GLN 106 1HG GLN 106 -8.527 -5.964 2.294 739 HE21 GLN 106 1HE2 GLN 106 -10.883 -7.687 2.693 740 HE22 GLN 106 2HE2 GLN 106 -10.451 -8.755 3.966 741 H LYS 107 H LYS 107 -9.580 -4.882 6.924 742 HA LYS 107 HA LYS 107 -11.759 -6.701 6.832 743 HB2 LYS 107 2HB LYS 107 -10.265 -5.605 9.222 744 HB3 LYS 107 1HB LYS 107 -11.374 -6.968 9.271 745 HG2 LYS 107 2HG LYS 107 -8.833 -6.888 7.655 746 HG3 LYS 107 1HG LYS 107 -8.980 -7.606 9.254 747 HD2 LYS 107 2HD LYS 107 -10.638 -9.190 8.394 748 HD3 LYS 107 1HD LYS 107 -10.522 -8.454 6.795 749 HE2 LYS 107 2HE LYS 107 -8.212 -9.104 6.611 750 HE3 LYS 107 1HE LYS 107 -8.210 -9.712 8.266 751 HZ1 LYS 107 3HZ LYS 107 -9.785 -10.840 5.999 752 HZ2 LYS 107 1HZ LYS 107 -9.853 -11.351 7.604 753 HZ3 LYS 107 2HZ LYS 107 -8.430 -11.525 6.735 754 H ARG 108 H ARG 108 -11.451 -3.441 7.911 755 HA ARG 108 HA ARG 108 -13.953 -3.214 9.286 756 HB2 ARG 108 2HB ARG 108 -12.023 -1.666 9.604 757 HB3 ARG 108 1HB ARG 108 -12.276 -1.074 7.972 758 HG2 ARG 108 2HG ARG 108 -14.533 -0.314 8.644 759 HG3 ARG 108 1HG ARG 108 -14.163 -0.809 10.298 760 HD2 ARG 108 2HD ARG 108 -13.741 1.524 10.109 761 HD3 ARG 108 1HD ARG 108 -12.187 0.703 10.232 762 HE ARG 108 HE ARG 108 -13.217 1.368 7.581 763 HH11 ARG 108 1HH1 ARG 108 -10.864 2.087 10.130 764 HH12 ARG 108 2HH1 ARG 108 -9.878 3.053 9.157 765 HH21 ARG 108 1HH2 ARG 108 -11.903 2.681 6.254 766 HH22 ARG 108 2HH2 ARG 108 -10.479 3.421 6.856 767 H VAL 109 H VAL 109 -12.793 -2.391 6.071 768 HA VAL 109 HA VAL 109 -15.155 -1.410 5.102 769 HB VAL 109 HB VAL 109 -12.600 -2.429 3.867 770 HG11 VAL 109 1HG1 VAL 109 -14.978 -1.303 2.430 771 HG12 VAL 109 2HG1 VAL 109 -14.185 -2.889 2.202 772 HG13 VAL 109 3HG1 VAL 109 -13.350 -1.412 1.757 773 HG21 VAL 109 3HG2 VAL 109 -13.832 0.288 4.155 774 HG22 VAL 109 1HG2 VAL 109 -12.316 -0.055 3.319 775 HG23 VAL 109 2HG2 VAL 109 -12.458 -0.362 5.049 776 H GLN 110 H GLN 110 -13.677 -4.583 5.109 777 HA GLN 110 HA GLN 110 -15.587 -5.945 3.588 778 HB2 GLN 110 2HB GLN 110 -13.390 -6.859 4.016 779 HB3 GLN 110 1HB GLN 110 -13.692 -6.861 5.741 780 HG2 GLN 110 2HG GLN 110 -13.778 -9.054 4.715 781 HG3 GLN 110 1HG GLN 110 -15.257 -8.571 5.547 782 HE21 GLN 110 1HE2 GLN 110 -16.484 -10.083 4.360 783 HE22 GLN 110 2HE2 GLN 110 -16.911 -9.827 2.711 784 H ASP 111 H ASP 111 -15.323 -5.127 6.950 785 HA ASP 111 HA ASP 111 -17.423 -6.642 7.903 786 HB2 ASP 111 2HB ASP 111 -15.812 -5.840 9.453 787 HB3 ASP 111 1HB ASP 111 -16.074 -4.173 8.970 788 H SER 112 H SER 112 -17.310 -3.520 6.358 789 HA SER 112 HA SER 112 -19.636 -2.369 7.301 790 HB2 SER 112 2HB SER 112 -18.243 -1.950 4.660 791 HB3 SER 112 1HB SER 112 -19.424 -0.855 5.386 792 HG SER 112 HG SER 112 -17.504 -1.445 7.179 793 H GLU 113 H GLU 113 -19.339 -4.885 4.871 794 HA GLU 113 HA GLU 113 -22.109 -4.414 4.135 795 HB2 GLU 113 2HB GLU 113 -21.752 -6.237 2.405 796 HB3 GLU 113 1HB GLU 113 -20.854 -4.754 2.157 797 HG2 GLU 113 2HG GLU 113 -18.830 -5.767 2.850 798 HG3 GLU 113 1HG GLU 113 -19.672 -7.190 3.456 Start of MODEL 20 1 H1 ASN 18 1HT ASN 18 12.275 11.581 3.599 2 H2 ASN 18 2HT ASN 18 11.780 13.129 4.043 3 H3 ASN 18 3HT ASN 18 12.625 12.906 2.606 4 HA ASN 18 HA ASN 18 9.943 11.802 3.207 5 HB2 ASN 18 2HB ASN 18 10.732 14.128 1.428 6 HB3 ASN 18 1HB ASN 18 9.152 13.372 1.426 7 HD21 ASN 18 1HD2 ASN 18 8.123 15.215 1.986 8 HD22 ASN 18 2HD2 ASN 18 8.212 15.939 3.546 9 H THR 19 H THR 19 12.760 10.957 1.708 10 HA THR 19 HA THR 19 12.179 10.780 -0.992 11 HB THR 19 HB THR 19 13.957 8.912 0.576 12 HG1 THR 19 1HG THR 19 15.417 10.516 0.766 13 HG21 THR 19 3HG2 THR 19 13.735 8.489 -1.837 14 HG22 THR 19 1HG2 THR 19 15.356 9.059 -1.439 15 HG23 THR 19 2HG2 THR 19 14.192 10.161 -2.172 16 H ALA 20 H ALA 20 11.883 8.378 1.603 17 HA ALA 20 HA ALA 20 11.106 6.233 -0.077 18 HB1 ALA 20 1HB ALA 20 12.166 5.912 2.089 19 HB2 ALA 20 2HB ALA 20 10.610 5.083 2.012 20 HB3 ALA 20 3HB ALA 20 10.756 6.601 2.888 21 H THR 21 H THR 21 9.320 8.405 2.044 22 HA THR 21 HA THR 21 6.849 7.117 1.617 23 HB THR 21 HB THR 21 7.141 9.923 2.594 24 HG1 THR 21 1HG THR 21 7.162 7.854 4.466 25 HG21 THR 21 3HG2 THR 21 4.895 8.974 2.272 26 HG22 THR 21 1HG2 THR 21 5.219 9.250 3.989 27 HG23 THR 21 2HG2 THR 21 5.333 7.624 3.313 28 H GLN 22 H GLN 22 8.529 9.764 0.029 29 HA GLN 22 HA GLN 22 6.314 10.840 -1.346 30 HB2 GLN 22 2HB GLN 22 8.629 11.845 -1.097 31 HB3 GLN 22 1HB GLN 22 9.156 10.727 -2.340 32 HG2 GLN 22 2HG GLN 22 7.572 11.733 -3.905 33 HG3 GLN 22 1HG GLN 22 7.081 12.878 -2.654 34 HE21 GLN 22 1HE2 GLN 22 8.587 14.445 -1.941 35 HE22 GLN 22 2HE2 GLN 22 9.957 14.846 -2.903 36 H ARG 23 H ARG 23 8.547 8.235 -2.009 37 HA ARG 23 HA ARG 23 7.531 7.622 -4.594 38 HB2 ARG 23 2HB ARG 23 9.795 6.987 -3.907 39 HB3 ARG 23 1HB ARG 23 9.137 5.953 -2.653 40 HG2 ARG 23 2HG ARG 23 8.195 4.472 -4.309 41 HG3 ARG 23 1HG ARG 23 8.711 5.550 -5.609 42 HD2 ARG 23 2HD ARG 23 10.545 4.167 -3.658 43 HD3 ARG 23 1HD ARG 23 10.234 3.625 -5.311 44 HE ARG 23 HE ARG 23 11.030 6.174 -5.648 45 HH11 ARG 23 1HH1 ARG 23 12.511 3.534 -3.842 46 HH12 ARG 23 2HH1 ARG 23 14.110 4.046 -4.153 47 HH21 ARG 23 1HH2 ARG 23 13.171 6.864 -6.061 48 HH22 ARG 23 2HH2 ARG 23 14.503 5.984 -5.486 49 H PHE 24 H PHE 24 6.637 6.750 -1.320 50 HA PHE 24 HA PHE 24 4.698 4.826 -2.358 51 HB2 PHE 24 2HB PHE 24 5.893 5.279 0.374 52 HB3 PHE 24 1HB PHE 24 4.392 4.385 0.194 53 HD1 PHE 24 1HD PHE 24 6.841 4.043 -2.466 54 HD2 PHE 24 2HD PHE 24 5.574 2.429 1.275 55 HE1 PHE 24 1HE PHE 24 8.088 1.977 -2.920 56 HE2 PHE 24 2HE PHE 24 6.817 0.391 0.805 57 HZ PHE 24 HZ PHE 24 8.061 0.142 -1.276 58 H HIS 25 H HIS 25 4.608 7.804 -2.473 59 HA HIS 25 HA HIS 25 2.414 8.433 -0.707 60 HB2 HIS 25 2HB HIS 25 4.288 10.042 -1.414 61 HB3 HIS 25 1HB HIS 25 3.418 10.196 -2.937 62 HD1 HIS 25 1HD HIS 25 1.935 12.171 -2.945 63 HD2 HIS 25 2HD HIS 25 2.383 10.547 0.832 64 HE1 HIS 25 1HE HIS 25 0.518 13.601 -1.421 65 HE2 HIS 25 2HE HIS 25 0.506 12.216 0.716 66 H GLU 26 H GLU 26 2.859 7.239 -3.823 67 HA GLU 26 HA GLU 26 0.419 7.976 -5.044 68 HB2 GLU 26 2HB GLU 26 0.887 5.957 -6.507 69 HB3 GLU 26 1HB GLU 26 2.154 7.177 -6.463 70 HG2 GLU 26 2HG GLU 26 3.485 5.834 -4.996 71 HG3 GLU 26 1HG GLU 26 2.168 4.687 -4.783 72 H ILE 27 H ILE 27 1.388 5.251 -3.067 73 HA ILE 27 HA ILE 27 -1.135 3.980 -3.305 74 HB ILE 27 HB ILE 27 0.803 2.569 -2.858 75 HG12 ILE 27 2HG1 ILE 27 -0.004 1.249 -0.902 76 HG13 ILE 27 1HG1 ILE 27 -1.115 2.562 -0.530 77 HG21 ILE 27 1HG2 ILE 27 1.953 2.564 -0.701 78 HG22 ILE 27 2HG2 ILE 27 1.065 4.022 -0.259 79 HG23 ILE 27 3HG2 ILE 27 2.185 4.051 -1.620 80 HD11 ILE 27 3HD1 ILE 27 -2.238 2.213 -2.657 81 HD12 ILE 27 1HD1 ILE 27 -2.217 0.742 -1.685 82 HD13 ILE 27 2HD1 ILE 27 -1.100 0.922 -3.040 83 H GLU 28 H GLU 28 0.293 6.257 -1.111 84 HA GLU 28 HA GLU 28 -1.592 6.173 0.946 85 HB2 GLU 28 2HB GLU 28 0.511 7.473 1.105 86 HB3 GLU 28 1HB GLU 28 -0.088 8.585 -0.101 87 HG2 GLU 28 2HG GLU 28 -2.017 9.101 1.417 88 HG3 GLU 28 1HG GLU 28 -1.215 8.149 2.659 89 H LYS 29 H LYS 29 -1.584 8.133 -2.007 90 HA LYS 29 HA LYS 29 -4.098 9.305 -1.410 91 HB2 LYS 29 2HB LYS 29 -4.236 10.061 -3.759 92 HB3 LYS 29 1HB LYS 29 -2.670 10.421 -3.054 93 HG2 LYS 29 2HG LYS 29 -1.632 8.670 -4.276 94 HG3 LYS 29 1HG LYS 29 -3.185 8.025 -4.791 95 HD2 LYS 29 2HD LYS 29 -2.055 9.257 -6.596 96 HD3 LYS 29 1HD LYS 29 -3.582 10.008 -6.145 97 HE2 LYS 29 2HE LYS 29 -2.417 11.678 -4.858 98 HE3 LYS 29 1HE LYS 29 -0.867 10.902 -5.181 99 HZ1 LYS 29 3HZ LYS 29 -1.252 12.806 -6.620 100 HZ2 LYS 29 1HZ LYS 29 -2.659 12.110 -7.222 101 HZ3 LYS 29 2HZ LYS 29 -1.146 11.396 -7.513 102 H PHE 30 H PHE 30 -3.179 6.396 -3.080 103 HA PHE 30 HA PHE 30 -5.671 5.795 -4.209 104 HB2 PHE 30 2HB PHE 30 -3.353 4.757 -4.637 105 HB3 PHE 30 1HB PHE 30 -3.746 3.787 -3.208 106 HD1 PHE 30 2HD PHE 30 -4.979 4.639 -6.596 107 HD2 PHE 30 1HD PHE 30 -5.044 1.841 -3.399 108 HE1 PHE 30 2HE PHE 30 -6.262 3.079 -7.996 109 HE2 PHE 30 1HE PHE 30 -6.324 0.275 -4.797 110 HZ PHE 30 HZ PHE 30 -6.937 0.895 -7.098 111 H LEU 31 H LEU 31 -4.188 4.860 -1.083 112 HA LEU 31 HA LEU 31 -6.416 3.274 -0.406 113 HB2 LEU 31 2HB LEU 31 -5.442 3.125 1.894 114 HB3 LEU 31 1HB LEU 31 -4.390 2.614 0.602 115 HG LEU 31 HG LEU 31 -3.265 4.908 0.837 116 HD11 LEU 31 1HD1 LEU 31 -3.423 5.981 3.012 117 HD12 LEU 31 2HD1 LEU 31 -4.712 4.867 3.470 118 HD13 LEU 31 3HD1 LEU 31 -4.968 6.020 2.161 119 HD21 LEU 31 3HD2 LEU 31 -3.082 2.917 3.087 120 HD22 LEU 31 1HD2 LEU 31 -1.866 4.131 2.689 121 HD23 LEU 31 2HD2 LEU 31 -2.226 2.838 1.546 122 H LEU 32 H LEU 32 -5.691 6.638 0.253 123 HA LEU 32 HA LEU 32 -7.903 6.776 1.943 124 HB2 LEU 32 2HB LEU 32 -7.705 9.275 1.848 125 HB3 LEU 32 1HB LEU 32 -6.243 8.451 2.327 126 HG LEU 32 HG LEU 32 -5.552 8.764 -0.149 127 HD11 LEU 32 1HD1 LEU 32 -7.675 9.518 -1.023 128 HD12 LEU 32 2HD1 LEU 32 -6.447 10.771 -1.213 129 HD13 LEU 32 3HD1 LEU 32 -7.653 10.906 0.067 130 HD21 LEU 32 3HD2 LEU 32 -4.435 9.833 1.709 131 HD22 LEU 32 1HD2 LEU 32 -5.683 11.080 1.772 132 HD23 LEU 32 2HD2 LEU 32 -4.616 10.970 0.372 133 H HIS 33 H HIS 33 -7.448 7.206 -1.431 134 HA HIS 33 HA HIS 33 -9.983 8.115 -2.154 135 HB2 HIS 33 2HB HIS 33 -8.063 8.048 -3.704 136 HB3 HIS 33 1HB HIS 33 -8.078 6.296 -3.659 137 HD1 HIS 33 1HD HIS 33 -9.460 5.153 -5.418 138 HD2 HIS 33 2HD HIS 33 -10.387 9.184 -5.059 139 HE1 HIS 33 1HE HIS 33 -10.980 5.662 -7.322 140 HE2 HIS 33 2HE HIS 33 -11.808 7.969 -6.816 141 H ILE 34 H ILE 34 -8.731 4.844 -1.516 142 HA ILE 34 HA ILE 34 -10.975 3.366 -2.272 143 HB ILE 34 HB ILE 34 -8.801 2.835 -0.242 144 HG12 ILE 34 2HG1 ILE 34 -9.301 1.748 -3.012 145 HG13 ILE 34 1HG1 ILE 34 -8.074 2.924 -2.560 146 HG21 ILE 34 1HG2 ILE 34 -9.477 0.483 -0.157 147 HG22 ILE 34 2HG2 ILE 34 -10.905 0.856 -1.118 148 HG23 ILE 34 3HG2 ILE 34 -10.723 1.550 0.491 149 HD11 ILE 34 3HD1 ILE 34 -7.020 1.192 -1.139 150 HD12 ILE 34 1HD1 ILE 34 -7.089 0.749 -2.854 151 HD13 ILE 34 2HD1 ILE 34 -8.253 0.069 -1.724 152 H THR 35 H THR 35 -10.132 4.916 0.739 153 HA THR 35 HA THR 35 -12.250 3.889 2.307 154 HB THR 35 HB THR 35 -11.021 6.605 2.557 155 HG1 THR 35 1HG THR 35 -9.417 4.779 2.387 156 HG21 THR 35 3HG2 THR 35 -12.904 6.152 4.063 157 HG22 THR 35 1HG2 THR 35 -11.396 6.263 4.974 158 HG23 THR 35 2HG2 THR 35 -12.102 4.687 4.629 159 H HIS 36 H HIS 36 -11.927 6.760 0.280 160 HA HIS 36 HA HIS 36 -14.502 7.823 0.832 161 HB2 HIS 36 2HB HIS 36 -12.537 9.118 -0.061 162 HB3 HIS 36 1HB HIS 36 -12.784 8.281 -1.585 163 HD1 HIS 36 1HD HIS 36 -14.373 10.883 0.635 164 HD2 HIS 36 2HD HIS 36 -14.824 9.277 -3.170 165 HE1 HIS 36 1HE HIS 36 -15.966 12.394 -0.542 166 HE2 HIS 36 2HE HIS 36 -16.192 11.452 -2.855 167 H GLU 37 H GLU 37 -13.209 5.616 -1.587 168 HA GLU 37 HA GLU 37 -15.514 5.441 -3.156 169 HB2 GLU 37 2HB GLU 37 -13.462 3.281 -2.630 170 HB3 GLU 37 1HB GLU 37 -14.683 3.223 -3.884 171 HG2 GLU 37 2HG GLU 37 -12.361 5.120 -3.689 172 HG3 GLU 37 1HG GLU 37 -12.580 3.812 -4.847 173 H VAL 38 H VAL 38 -14.651 4.005 -0.079 174 HA VAL 38 HA VAL 38 -16.640 2.006 0.006 175 HB VAL 38 HB VAL 38 -15.328 3.535 2.298 176 HG11 VAL 38 1HG1 VAL 38 -16.892 0.933 2.329 177 HG12 VAL 38 2HG1 VAL 38 -17.443 2.468 3.001 178 HG13 VAL 38 3HG1 VAL 38 -16.067 1.632 3.721 179 HG21 VAL 38 3HG2 VAL 38 -14.686 0.809 1.191 180 HG22 VAL 38 1HG2 VAL 38 -13.922 1.571 2.580 181 HG23 VAL 38 2HG2 VAL 38 -13.720 2.270 0.968 182 H ASP 39 H ASP 39 -16.420 5.277 1.229 183 HA ASP 39 HA ASP 39 -18.971 5.383 2.270 184 HB2 ASP 39 2HB ASP 39 -17.236 7.640 1.239 185 HB3 ASP 39 1HB ASP 39 -18.747 7.919 2.086 186 H ASP 40 H ASP 40 -17.709 6.201 -0.878 187 HA ASP 40 HA ASP 40 -20.034 7.258 -2.009 188 HB2 ASP 40 2HB ASP 40 -17.797 7.642 -2.953 189 HB3 ASP 40 1HB ASP 40 -17.694 5.935 -3.374 190 H LEU 41 H LEU 41 -18.736 3.993 -2.050 191 HA LEU 41 HA LEU 41 -20.810 3.096 -3.731 192 HB2 LEU 41 2HB LEU 41 -20.046 0.770 -3.242 193 HB3 LEU 41 1HB LEU 41 -18.812 1.810 -3.890 194 HG LEU 41 HG LEU 41 -18.026 2.058 -1.456 195 HD11 LEU 41 1HD1 LEU 41 -18.466 0.196 0.009 196 HD12 LEU 41 2HD1 LEU 41 -19.616 -0.467 -1.148 197 HD13 LEU 41 3HD1 LEU 41 -19.949 1.076 -0.354 198 HD21 LEU 41 3HD2 LEU 41 -17.740 -0.555 -2.906 199 HD22 LEU 41 1HD2 LEU 41 -16.682 0.027 -1.624 200 HD23 LEU 41 2HD2 LEU 41 -16.771 0.900 -3.154 201 H GLU 42 H GLU 42 -20.425 3.310 -0.318 202 HA GLU 42 HA GLU 42 -22.562 1.752 0.372 203 HB2 GLU 42 2HB GLU 42 -21.302 4.091 1.741 204 HB3 GLU 42 1HB GLU 42 -22.724 3.307 2.417 205 HG2 GLU 42 2HG GLU 42 -20.084 2.003 1.828 206 HG3 GLU 42 1HG GLU 42 -20.726 2.421 3.421 207 H LYS 43 H LYS 43 -22.587 5.178 -0.694 208 HA LYS 43 HA LYS 43 -25.471 4.931 -0.263 209 HB2 LYS 43 2HB LYS 43 -25.827 7.266 -0.606 210 HB3 LYS 43 1HB LYS 43 -24.440 7.109 0.442 211 HG2 LYS 43 2HG LYS 43 -24.118 7.509 -2.497 212 HG3 LYS 43 1HG LYS 43 -24.394 8.894 -1.423 213 HD2 LYS 43 2HD LYS 43 -22.351 8.001 -0.175 214 HD3 LYS 43 1HD LYS 43 -22.140 6.948 -1.584 215 HE2 LYS 43 2HE LYS 43 -22.354 9.952 -1.722 216 HE3 LYS 43 1HE LYS 43 -20.824 9.092 -1.731 217 HZ1 LYS 43 3HZ LYS 43 -21.267 8.219 -3.845 218 HZ2 LYS 43 1HZ LYS 43 -21.787 9.787 -3.924 219 HZ3 LYS 43 2HZ LYS 43 -22.922 8.563 -3.795 220 H THR 44 H THR 44 -23.239 4.752 -2.713 221 HA THR 44 HA THR 44 -25.070 5.373 -4.792 222 HB THR 44 HB THR 44 -22.190 4.923 -4.507 223 HG1 THR 44 1HG THR 44 -23.911 6.904 -5.382 224 HG21 THR 44 3HG2 THR 44 -21.795 4.978 -6.883 225 HG22 THR 44 1HG2 THR 44 -23.547 4.857 -7.199 226 HG23 THR 44 2HG2 THR 44 -22.684 3.534 -6.378 227 H GLY 45 H GLY 45 -23.898 2.355 -3.404 228 HA2 GLY 45 2HA GLY 45 -25.977 0.886 -4.539 229 HA3 GLY 45 1HA GLY 45 -24.659 0.799 -5.690 230 H ASN 46 H ASN 46 -22.486 0.331 -4.426 231 HA ASN 46 HA ASN 46 -21.145 -1.145 -3.459 232 HB2 ASN 46 2HB ASN 46 -21.444 -1.847 -1.137 233 HB3 ASN 46 1HB ASN 46 -21.939 -0.177 -1.296 234 HD21 ASN 46 1HD2 ASN 46 -22.960 -3.434 -0.665 235 HD22 ASN 46 2HD2 ASN 46 -24.519 -3.055 -0.050 236 H LYS 47 H LYS 47 -22.938 -2.032 -5.359 237 HA LYS 47 HA LYS 47 -24.443 -4.303 -4.764 238 HB2 LYS 47 2HB LYS 47 -23.165 -3.549 -7.391 239 HB3 LYS 47 1HB LYS 47 -24.522 -4.650 -7.197 240 HG2 LYS 47 2HG LYS 47 -25.900 -2.842 -6.313 241 HG3 LYS 47 1HG LYS 47 -24.542 -1.732 -6.427 242 HD2 LYS 47 2HD LYS 47 -25.871 -3.123 -8.761 243 HD3 LYS 47 1HD LYS 47 -26.159 -1.458 -8.270 244 HE2 LYS 47 2HE LYS 47 -23.539 -2.604 -9.252 245 HE3 LYS 47 1HE LYS 47 -24.635 -1.581 -10.166 246 HZ1 LYS 47 3HZ LYS 47 -22.846 -0.251 -9.330 247 HZ2 LYS 47 1HZ LYS 47 -23.086 -0.753 -7.741 248 HZ3 LYS 47 2HZ LYS 47 -24.240 0.190 -8.520 249 H ASP 48 H ASP 48 -21.286 -4.184 -6.316 250 HA ASP 48 HA ASP 48 -20.529 -6.648 -4.875 251 HB2 ASP 48 2HB ASP 48 -19.396 -7.596 -6.764 252 HB3 ASP 48 1HB ASP 48 -20.954 -7.082 -7.396 253 H GLU 49 H GLU 49 -20.232 -3.612 -5.376 254 HA GLU 49 HA GLU 49 -17.593 -2.987 -6.039 255 HB2 GLU 49 2HB GLU 49 -19.743 -1.369 -4.709 256 HB3 GLU 49 1HB GLU 49 -18.313 -0.737 -5.525 257 HG2 GLU 49 2HG GLU 49 -19.044 -1.350 -7.617 258 HG3 GLU 49 1HG GLU 49 -20.126 -2.584 -6.992 259 H LYS 50 H LYS 50 -19.197 -3.482 -2.981 260 HA LYS 50 HA LYS 50 -17.193 -2.390 -1.310 261 HB2 LYS 50 2HB LYS 50 -19.558 -3.186 -0.729 262 HB3 LYS 50 1HB LYS 50 -18.903 -4.805 -0.772 263 HG2 LYS 50 2HG LYS 50 -18.987 -4.206 1.516 264 HG3 LYS 50 1HG LYS 50 -17.301 -4.058 1.058 265 HD2 LYS 50 2HD LYS 50 -17.280 -1.852 1.248 266 HD3 LYS 50 1HD LYS 50 -18.939 -1.694 0.655 267 HE2 LYS 50 2HE LYS 50 -18.265 -2.776 3.398 268 HE3 LYS 50 1HE LYS 50 -18.647 -1.080 3.095 269 HZ1 LYS 50 3HZ LYS 50 -20.623 -2.417 3.796 270 HZ2 LYS 50 1HZ LYS 50 -20.508 -3.298 2.361 271 HZ3 LYS 50 2HZ LYS 50 -20.777 -1.628 2.348 272 H ALA 51 H ALA 51 -17.812 -5.629 -2.358 273 HA ALA 51 HA ALA 51 -15.460 -6.829 -1.340 274 HB1 ALA 51 1HB ALA 51 -16.032 -8.739 -2.771 275 HB2 ALA 51 2HB ALA 51 -17.223 -7.749 -3.613 276 HB3 ALA 51 3HB ALA 51 -17.449 -8.139 -1.909 277 H ARG 52 H ARG 52 -16.329 -5.546 -4.482 278 HA ARG 52 HA ARG 52 -14.031 -6.163 -5.938 279 HB2 ARG 52 2HB ARG 52 -16.158 -5.232 -6.892 280 HB3 ARG 52 1HB ARG 52 -15.720 -3.683 -6.190 281 HG2 ARG 52 2HG ARG 52 -13.631 -3.736 -7.555 282 HG3 ARG 52 1HG ARG 52 -14.281 -5.153 -8.375 283 HD2 ARG 52 2HD ARG 52 -15.565 -2.432 -8.258 284 HD3 ARG 52 1HD ARG 52 -14.686 -3.094 -9.631 285 HE ARG 52 HE ARG 52 -16.998 -4.626 -8.732 286 HH11 ARG 52 1HH1 ARG 52 -15.806 -2.106 -10.954 287 HH12 ARG 52 2HH1 ARG 52 -17.028 -2.351 -12.104 288 HH21 ARG 52 1HH2 ARG 52 -18.729 -4.852 -10.223 289 HH22 ARG 52 2HH2 ARG 52 -18.725 -3.977 -11.698 290 H LEU 53 H LEU 53 -14.786 -3.284 -3.887 291 HA LEU 53 HA LEU 53 -12.426 -1.994 -4.562 292 HB2 LEU 53 2HB LEU 53 -14.373 -0.835 -3.849 293 HB3 LEU 53 1HB LEU 53 -14.382 -1.709 -2.325 294 HG LEU 53 HG LEU 53 -12.245 -0.863 -1.905 295 HD11 LEU 53 1HD1 LEU 53 -11.519 -0.071 -4.117 296 HD12 LEU 53 2HD1 LEU 53 -11.579 1.342 -3.069 297 HD13 LEU 53 3HD1 LEU 53 -12.885 1.039 -4.207 298 HD21 LEU 53 3HD2 LEU 53 -13.071 1.377 -1.126 299 HD22 LEU 53 1HD2 LEU 53 -14.112 0.005 -0.757 300 HD23 LEU 53 2HD2 LEU 53 -14.514 1.083 -2.095 301 H LEU 54 H LEU 54 -13.357 -4.197 -1.984 302 HA LEU 54 HA LEU 54 -10.938 -3.852 -0.569 303 HB2 LEU 54 2HB LEU 54 -12.840 -6.190 -0.538 304 HB3 LEU 54 1HB LEU 54 -11.504 -5.972 0.583 305 HG LEU 54 HG LEU 54 -13.965 -4.265 0.328 306 HD11 LEU 54 1HD1 LEU 54 -12.932 -5.961 2.584 307 HD12 LEU 54 2HD1 LEU 54 -14.320 -6.311 1.553 308 HD13 LEU 54 3HD1 LEU 54 -14.356 -4.924 2.641 309 HD21 LEU 54 3HD2 LEU 54 -12.045 -2.798 0.706 310 HD22 LEU 54 1HD2 LEU 54 -11.529 -3.800 2.063 311 HD23 LEU 54 2HD2 LEU 54 -13.040 -2.893 2.134 312 H ARG 55 H ARG 55 -11.883 -5.804 -3.185 313 HA ARG 55 HA ARG 55 -9.481 -7.365 -3.244 314 HB2 ARG 55 2HB ARG 55 -11.493 -8.160 -4.431 315 HB3 ARG 55 1HB ARG 55 -11.421 -6.769 -5.499 316 HG2 ARG 55 2HG ARG 55 -10.566 -8.784 -6.585 317 HG3 ARG 55 1HG ARG 55 -9.315 -7.549 -6.425 318 HD2 ARG 55 2HD ARG 55 -8.473 -8.714 -4.413 319 HD3 ARG 55 1HD ARG 55 -9.686 -9.968 -4.657 320 HE ARG 55 HE ARG 55 -8.096 -9.603 -6.969 321 HH11 ARG 55 1HH1 ARG 55 -8.004 -11.046 -3.724 322 HH12 ARG 55 2HH1 ARG 55 -6.816 -12.199 -4.103 323 HH21 ARG 55 1HH2 ARG 55 -6.430 -11.224 -7.482 324 HH22 ARG 55 2HH2 ARG 55 -5.947 -12.331 -6.277 325 H GLU 56 H GLU 56 -10.483 -4.306 -4.499 326 HA GLU 56 HA GLU 56 -8.401 -3.706 -6.242 327 HB2 GLU 56 2HB GLU 56 -10.546 -2.469 -5.957 328 HB3 GLU 56 1HB GLU 56 -9.956 -1.863 -4.423 329 HG2 GLU 56 2HG GLU 56 -9.656 -0.150 -5.951 330 HG3 GLU 56 1HG GLU 56 -8.057 -0.861 -5.706 331 H LEU 57 H LEU 57 -8.737 -3.381 -2.686 332 HA LEU 57 HA LEU 57 -6.224 -2.081 -2.518 333 HB2 LEU 57 2HB LEU 57 -6.382 -2.177 -0.074 334 HB3 LEU 57 1HB LEU 57 -7.816 -1.503 -0.776 335 HG LEU 57 HG LEU 57 -8.843 -3.848 -0.398 336 HD11 LEU 57 1HD1 LEU 57 -6.779 -5.034 0.141 337 HD12 LEU 57 2HD1 LEU 57 -7.921 -5.084 1.483 338 HD13 LEU 57 3HD1 LEU 57 -6.541 -3.991 1.546 339 HD21 LEU 57 3HD2 LEU 57 -9.469 -3.208 1.865 340 HD22 LEU 57 1HD2 LEU 57 -9.501 -1.829 0.773 341 HD23 LEU 57 2HD2 LEU 57 -8.159 -2.029 1.901 342 H THR 58 H THR 58 -7.278 -5.371 -2.256 343 HA THR 58 HA THR 58 -4.934 -6.463 -1.353 344 HB THR 58 HB THR 58 -6.844 -7.679 -3.375 345 HG1 THR 58 1HG THR 58 -6.891 -7.590 -0.535 346 HG21 THR 58 3HG2 THR 58 -4.776 -8.980 -3.066 347 HG22 THR 58 1HG2 THR 58 -6.162 -9.830 -2.381 348 HG23 THR 58 2HG2 THR 58 -5.038 -8.980 -1.322 349 H VAL 59 H VAL 59 -5.935 -5.472 -4.572 350 HA VAL 59 HA VAL 59 -3.625 -6.468 -5.909 351 HB VAL 59 HB VAL 59 -5.597 -4.332 -6.828 352 HG11 VAL 59 1HG1 VAL 59 -3.578 -5.900 -8.439 353 HG12 VAL 59 2HG1 VAL 59 -3.473 -4.185 -8.052 354 HG13 VAL 59 3HG1 VAL 59 -4.770 -4.775 -9.092 355 HG21 VAL 59 3HG2 VAL 59 -6.571 -6.150 -8.178 356 HG22 VAL 59 1HG2 VAL 59 -6.666 -6.481 -6.445 357 HG23 VAL 59 2HG2 VAL 59 -5.443 -7.279 -7.435 358 H SER 60 H SER 60 -4.509 -3.253 -4.616 359 HA SER 60 HA SER 60 -2.101 -2.033 -5.370 360 HB2 SER 60 2HB SER 60 -2.698 -0.308 -3.602 361 HB3 SER 60 1HB SER 60 -3.932 -0.599 -4.822 362 HG SER 60 HG SER 60 -4.026 -2.062 -2.406 363 H GLU 61 H GLU 61 -2.945 -3.978 -2.963 364 HA GLU 61 HA GLU 61 -0.853 -3.606 -1.022 365 HB2 GLU 61 2HB GLU 61 -3.091 -4.778 -0.671 366 HB3 GLU 61 1HB GLU 61 -2.424 -6.135 -1.556 367 HG2 GLU 61 2HG GLU 61 -0.642 -6.263 0.157 368 HG3 GLU 61 1HG GLU 61 -1.539 -4.992 1.022 369 H ALA 62 H ALA 62 -1.409 -5.671 -3.789 370 HA ALA 62 HA ALA 62 0.976 -7.144 -3.643 371 HB1 ALA 62 1HB ALA 62 -0.964 -7.896 -4.950 372 HB2 ALA 62 2HB ALA 62 0.507 -7.855 -5.921 373 HB3 ALA 62 3HB ALA 62 -0.696 -6.573 -6.087 374 H PHE 63 H PHE 63 0.226 -4.028 -5.129 375 HA PHE 63 HA PHE 63 2.755 -3.775 -6.486 376 HB2 PHE 63 2HB PHE 63 1.554 -1.298 -5.249 377 HB3 PHE 63 1HB PHE 63 2.409 -1.462 -6.772 378 HD1 PHE 63 1HD PHE 63 0.766 -3.753 -7.894 379 HD2 PHE 63 2HD PHE 63 -0.270 -0.136 -5.933 380 HE1 PHE 63 1HE PHE 63 -1.450 -3.819 -8.934 381 HE2 PHE 63 2HE PHE 63 -2.479 -0.199 -6.962 382 HZ PHE 63 HZ PHE 63 -3.092 -2.069 -8.390 383 H ILE 64 H ILE 64 1.699 -3.035 -3.233 384 HA ILE 64 HA ILE 64 4.161 -2.023 -2.329 385 HB ILE 64 HB ILE 64 1.841 -3.268 -0.870 386 HG12 ILE 64 2HG1 ILE 64 1.660 -0.953 -1.703 387 HG13 ILE 64 1HG1 ILE 64 1.545 -1.059 0.051 388 HG21 ILE 64 1HG2 ILE 64 4.379 -2.328 0.456 389 HG22 ILE 64 2HG2 ILE 64 3.794 -3.987 0.393 390 HG23 ILE 64 3HG2 ILE 64 2.885 -2.761 1.287 391 HD11 ILE 64 3HD1 ILE 64 3.970 -0.144 -1.534 392 HD12 ILE 64 1HD1 ILE 64 3.918 -0.327 0.217 393 HD13 ILE 64 2HD1 ILE 64 2.902 0.859 -0.562 394 H GLU 65 H GLU 65 2.957 -5.330 -2.366 395 HA GLU 65 HA GLU 65 5.271 -6.477 -1.271 396 HB2 GLU 65 2HB GLU 65 3.319 -7.636 -3.251 397 HB3 GLU 65 1HB GLU 65 4.617 -8.561 -2.517 398 HG2 GLU 65 2HG GLU 65 3.639 -8.123 -0.303 399 HG3 GLU 65 1HG GLU 65 2.309 -7.266 -1.087 400 H GLY 66 H GLY 66 4.527 -5.549 -4.565 401 HA2 GLY 66 2HA GLY 66 6.838 -6.676 -5.761 402 HA3 GLY 66 1HA GLY 66 5.834 -5.412 -6.455 403 H SER 67 H SER 67 6.156 -3.462 -4.408 404 HA SER 67 HA SER 67 8.659 -2.436 -5.223 405 HB2 SER 67 2HB SER 67 7.989 -0.531 -3.646 406 HB3 SER 67 1HB SER 67 6.919 -0.848 -5.011 407 HG SER 67 HG SER 67 5.428 -1.500 -3.736 408 H ARG 68 H ARG 68 7.380 -3.858 -2.285 409 HA ARG 68 HA ARG 68 9.779 -3.387 -0.896 410 HB2 ARG 68 2HB ARG 68 7.650 -5.451 -0.272 411 HB3 ARG 68 1HB ARG 68 8.979 -5.047 0.803 412 HG2 ARG 68 2HG ARG 68 8.126 -2.778 1.037 413 HG3 ARG 68 1HG ARG 68 6.825 -3.141 -0.096 414 HD2 ARG 68 2HD ARG 68 5.902 -3.307 2.083 415 HD3 ARG 68 1HD ARG 68 6.083 -4.950 1.482 416 HE ARG 68 HE ARG 68 7.964 -3.683 3.353 417 HH11 ARG 68 1HH1 ARG 68 6.226 -6.595 2.277 418 HH12 ARG 68 2HH1 ARG 68 6.557 -7.484 3.678 419 HH21 ARG 68 1HH2 ARG 68 8.451 -4.943 5.285 420 HH22 ARG 68 2HH2 ARG 68 7.854 -6.520 5.410 421 H GLY 69 H GLY 69 8.701 -5.979 -2.914 422 HA2 GLY 69 2HA GLY 69 10.924 -7.663 -2.497 423 HA3 GLY 69 1HA GLY 69 9.902 -7.629 -3.931 424 H TYR 70 H TYR 70 10.426 -4.738 -4.245 425 HA TYR 70 HA TYR 70 12.573 -4.972 -6.143 426 HB2 TYR 70 2HB TYR 70 10.622 -3.434 -6.450 427 HB3 TYR 70 1HB TYR 70 11.151 -2.514 -5.061 428 HD1 TYR 70 1HD TYR 70 13.306 -1.130 -5.254 429 HD2 TYR 70 2HD TYR 70 11.468 -3.034 -8.591 430 HE1 TYR 70 1HE TYR 70 14.523 0.360 -6.773 431 HE2 TYR 70 2HE TYR 70 12.698 -1.553 -10.111 432 HH TYR 70 HH TYR 70 13.724 0.607 -10.081 433 H PHE 71 H PHE 71 12.087 -3.306 -3.129 434 HA PHE 71 HA PHE 71 14.660 -2.348 -2.912 435 HB2 PHE 71 2HB PHE 71 12.606 -2.887 -0.796 436 HB3 PHE 71 1HB PHE 71 14.146 -2.105 -0.452 437 HD1 PHE 71 1HD PHE 71 14.647 -0.221 -2.420 438 HD2 PHE 71 2HD PHE 71 10.851 -1.410 -0.930 439 HE1 PHE 71 1HE PHE 71 13.704 1.927 -3.133 440 HE2 PHE 71 2HE PHE 71 9.905 0.742 -1.646 441 HZ PHE 71 HZ PHE 71 11.327 2.408 -2.744 442 H GLN 72 H GLN 72 13.267 -5.370 -1.882 443 HA GLN 72 HA GLN 72 15.454 -6.307 -0.466 444 HB2 GLN 72 2HB GLN 72 13.321 -7.791 -1.976 445 HB3 GLN 72 1HB GLN 72 14.569 -8.616 -1.048 446 HG2 GLN 72 2HG GLN 72 13.837 -7.551 0.983 447 HG3 GLN 72 1HG GLN 72 12.680 -6.567 0.091 448 HE21 GLN 72 1HE2 GLN 72 10.810 -7.474 -0.590 449 HE22 GLN 72 2HE2 GLN 72 10.241 -9.029 -0.079 450 H ARG 73 H ARG 73 14.877 -6.724 -4.046 451 HA ARG 73 HA ARG 73 17.464 -7.956 -4.104 452 HB2 ARG 73 2HB ARG 73 17.455 -8.070 -6.549 453 HB3 ARG 73 1HB ARG 73 15.968 -8.707 -5.894 454 HG2 ARG 73 2HG ARG 73 16.159 -5.917 -6.977 455 HG3 ARG 73 1HG ARG 73 15.885 -7.304 -8.025 456 HD2 ARG 73 2HD ARG 73 14.162 -6.416 -5.730 457 HD3 ARG 73 1HD ARG 73 13.814 -6.214 -7.442 458 HE ARG 73 HE ARG 73 14.189 -8.936 -6.458 459 HH11 ARG 73 1HH1 ARG 73 11.938 -6.486 -7.691 460 HH12 ARG 73 2HH1 ARG 73 10.613 -7.582 -7.740 461 HH21 ARG 73 1HH2 ARG 73 12.342 -10.386 -6.560 462 HH22 ARG 73 2HH2 ARG 73 10.863 -9.787 -7.152 463 H GLU 74 H GLU 74 16.383 -4.761 -4.448 464 HA GLU 74 HA GLU 74 18.714 -3.650 -5.578 465 HB2 GLU 74 2HB GLU 74 16.180 -2.806 -5.003 466 HB3 GLU 74 1HB GLU 74 17.097 -2.011 -3.735 467 HG2 GLU 74 2HG GLU 74 16.753 -0.610 -5.696 468 HG3 GLU 74 1HG GLU 74 18.467 -0.906 -5.370 469 H LEU 75 H LEU 75 17.812 -4.526 -2.349 470 HA LEU 75 HA LEU 75 19.838 -3.211 -0.917 471 HB2 LEU 75 2HB LEU 75 17.774 -4.283 0.022 472 HB3 LEU 75 1HB LEU 75 18.492 -5.845 -0.301 473 HG LEU 75 HG LEU 75 20.334 -5.247 1.293 474 HD11 LEU 75 1HD1 LEU 75 19.944 -3.443 2.848 475 HD12 LEU 75 2HD1 LEU 75 18.527 -2.935 1.923 476 HD13 LEU 75 3HD1 LEU 75 20.136 -2.838 1.201 477 HD21 LEU 75 3HD2 LEU 75 19.006 -5.583 3.301 478 HD22 LEU 75 1HD2 LEU 75 18.478 -6.658 2.005 479 HD23 LEU 75 2HD2 LEU 75 17.536 -5.214 2.402 480 H LYS 76 H LYS 76 19.942 -5.845 -3.084 481 HA LYS 76 HA LYS 76 22.273 -7.118 -1.893 482 HB2 LYS 76 2HB LYS 76 20.633 -7.849 -4.321 483 HB3 LYS 76 1HB LYS 76 21.963 -8.798 -3.683 484 HG2 LYS 76 2HG LYS 76 20.740 -9.220 -1.641 485 HG3 LYS 76 1HG LYS 76 19.446 -8.145 -2.168 486 HD2 LYS 76 2HD LYS 76 18.912 -9.623 -4.011 487 HD3 LYS 76 1HD LYS 76 20.279 -10.660 -3.609 488 HE2 LYS 76 2HE LYS 76 18.140 -11.589 -2.819 489 HE3 LYS 76 1HE LYS 76 19.248 -11.252 -1.494 490 HZ1 LYS 76 3HZ LYS 76 16.993 -9.519 -2.337 491 HZ2 LYS 76 1HZ LYS 76 18.028 -9.217 -1.041 492 HZ3 LYS 76 2HZ LYS 76 16.978 -10.541 -1.014 493 H ARG 77 H ARG 77 21.740 -4.602 -3.984 494 HA ARG 77 HA ARG 77 23.488 -5.113 -6.158 495 HB2 ARG 77 2HB ARG 77 22.832 -2.424 -5.004 496 HB3 ARG 77 1HB ARG 77 23.464 -2.751 -6.602 497 HG2 ARG 77 2HG ARG 77 20.789 -3.530 -5.537 498 HG3 ARG 77 1HG ARG 77 21.124 -2.239 -6.681 499 HD2 ARG 77 2HD ARG 77 21.976 -3.952 -8.263 500 HD3 ARG 77 1HD ARG 77 21.483 -5.190 -7.097 501 HE ARG 77 HE ARG 77 19.488 -3.274 -7.869 502 HH11 ARG 77 1HH1 ARG 77 20.825 -6.509 -8.452 503 HH12 ARG 77 2HH1 ARG 77 19.377 -7.131 -9.094 504 HH21 ARG 77 1HH2 ARG 77 17.551 -4.103 -8.725 505 HH22 ARG 77 2HH2 ARG 77 17.463 -5.720 -9.291 506 H THR 78 H THR 78 24.186 -3.979 -2.950 507 HA THR 78 HA THR 78 26.015 -3.347 -1.842 508 HB THR 78 HB THR 78 27.741 -4.143 -4.230 509 HG1 THR 78 1HG THR 78 27.308 -6.142 -3.778 510 HG21 THR 78 3HG2 THR 78 28.894 -2.932 -2.410 511 HG22 THR 78 1HG2 THR 78 29.428 -4.613 -2.487 512 HG23 THR 78 2HG2 THR 78 28.280 -4.108 -1.250 513 H ASP 79 H ASP 79 25.337 -1.984 -4.919 514 HA ASP 79 HA ASP 79 27.045 0.234 -5.063 515 HB2 ASP 79 2HB ASP 79 24.135 0.047 -5.917 516 HB3 ASP 79 1HB ASP 79 25.226 1.340 -6.378 517 H LEU 80 H LEU 80 23.961 -0.193 -3.433 518 HA LEU 80 HA LEU 80 23.607 2.328 -2.175 519 HB2 LEU 80 2HB LEU 80 22.105 1.217 -0.781 520 HB3 LEU 80 1HB LEU 80 21.934 0.388 -2.315 521 HG LEU 80 HG LEU 80 23.732 -0.695 -0.164 522 HD11 LEU 80 1HD1 LEU 80 21.391 -0.338 0.716 523 HD12 LEU 80 2HD1 LEU 80 22.008 -1.978 0.744 524 HD13 LEU 80 3HD1 LEU 80 20.859 -1.514 -0.500 525 HD21 LEU 80 3HD2 LEU 80 22.226 -1.989 -2.427 526 HD22 LEU 80 1HD2 LEU 80 23.225 -2.838 -1.244 527 HD23 LEU 80 2HD2 LEU 80 23.966 -1.689 -2.349 528 H ASP 81 H ASP 81 23.950 2.834 -0.428 529 HA ASP 81 HA ASP 81 26.291 1.850 1.021 530 HB2 ASP 81 2HB ASP 81 26.574 4.127 0.074 531 HB3 ASP 81 1HB ASP 81 25.065 4.632 0.815 532 H LEU 82 H LEU 82 25.887 2.544 3.470 533 HA LEU 82 HA LEU 82 23.619 1.292 4.408 534 HB2 LEU 82 2HB LEU 82 25.324 3.407 5.730 535 HB3 LEU 82 1HB LEU 82 24.114 2.473 6.577 536 HG LEU 82 HG LEU 82 26.574 1.303 5.265 537 HD11 LEU 82 1HD1 LEU 82 25.992 1.884 8.169 538 HD12 LEU 82 2HD1 LEU 82 27.169 2.721 7.158 539 HD13 LEU 82 3HD1 LEU 82 27.398 1.018 7.553 540 HD21 LEU 82 3HD2 LEU 82 24.713 -0.272 5.399 541 HD22 LEU 82 1HD2 LEU 82 24.508 0.100 7.111 542 HD23 LEU 82 2HD2 LEU 82 25.976 -0.699 6.552 543 H LEU 83 H LEU 83 24.217 4.572 3.432 544 HA LEU 83 HA LEU 83 22.027 5.995 4.426 545 HB2 LEU 83 2HB LEU 83 23.942 6.853 3.096 546 HB3 LEU 83 1HB LEU 83 23.189 6.087 1.700 547 HG LEU 83 HG LEU 83 21.122 7.455 2.374 548 HD11 LEU 83 1HD1 LEU 83 21.857 8.336 4.444 549 HD12 LEU 83 2HD1 LEU 83 21.593 9.653 3.302 550 HD13 LEU 83 3HD1 LEU 83 23.235 9.124 3.674 551 HD21 LEU 83 3HD2 LEU 83 21.797 9.246 0.916 552 HD22 LEU 83 1HD2 LEU 83 22.233 7.643 0.329 553 HD23 LEU 83 2HD2 LEU 83 23.489 8.692 1.022 554 H GLU 84 H GLU 84 22.319 4.327 1.327 555 HA GLU 84 HA GLU 84 19.569 4.777 0.796 556 HB2 GLU 84 2HB GLU 84 21.638 3.282 -0.772 557 HB3 GLU 84 1HB GLU 84 19.937 3.287 -1.244 558 HG2 GLU 84 2HG GLU 84 21.669 5.733 -0.902 559 HG3 GLU 84 1HG GLU 84 21.217 4.998 -2.439 560 H LYS 85 H LYS 85 21.380 2.204 2.021 561 HA LYS 85 HA LYS 85 19.438 0.212 2.124 562 HB2 LYS 85 2HB LYS 85 21.820 -0.126 2.749 563 HB3 LYS 85 1HB LYS 85 21.586 0.898 4.147 564 HG2 LYS 85 2HG LYS 85 20.192 -0.698 5.210 565 HG3 LYS 85 1HG LYS 85 20.088 -1.676 3.752 566 HD2 LYS 85 2HD LYS 85 22.619 -1.175 5.345 567 HD3 LYS 85 1HD LYS 85 21.643 -2.641 5.435 568 HE2 LYS 85 2HE LYS 85 22.068 -3.015 3.001 569 HE3 LYS 85 1HE LYS 85 23.118 -1.610 2.998 570 HZ1 LYS 85 3HZ LYS 85 24.594 -2.743 4.554 571 HZ2 LYS 85 1HZ LYS 85 24.348 -3.645 3.165 572 HZ3 LYS 85 2HZ LYS 85 23.570 -4.088 4.576 573 H PHE 86 H PHE 86 20.039 3.050 4.112 574 HA PHE 86 HA PHE 86 18.174 2.507 6.005 575 HB2 PHE 86 2HB PHE 86 19.972 4.091 6.385 576 HB3 PHE 86 1HB PHE 86 19.311 5.178 5.174 577 HD1 PHE 86 2HD PHE 86 18.641 3.647 8.474 578 HD2 PHE 86 1HD PHE 86 17.734 6.815 5.781 579 HE1 PHE 86 2HE PHE 86 17.362 4.778 10.243 580 HE2 PHE 86 1HE PHE 86 16.454 7.952 7.543 581 HZ PHE 86 HZ PHE 86 16.263 6.927 9.780 582 H ASN 87 H ASN 87 17.958 3.869 2.917 583 HA ASN 87 HA ASN 87 15.526 5.389 3.006 584 HB2 ASN 87 2HB ASN 87 17.495 5.696 1.433 585 HB3 ASN 87 1HB ASN 87 17.028 4.202 0.668 586 HD21 ASN 87 1HD2 ASN 87 17.352 6.683 -0.547 587 HD22 ASN 87 2HD2 ASN 87 15.832 7.143 -1.229 588 H PHE 88 H PHE 88 16.620 2.251 1.930 589 HA PHE 88 HA PHE 88 14.096 1.396 0.855 590 HB2 PHE 88 2HB PHE 88 16.301 -0.474 1.723 591 HB3 PHE 88 1HB PHE 88 15.074 -0.737 0.495 592 HD1 PHE 88 1HD PHE 88 15.403 1.973 -0.893 593 HD2 PHE 88 2HD PHE 88 18.178 -0.954 0.449 594 HE1 PHE 88 1HE PHE 88 17.039 2.767 -2.527 595 HE2 PHE 88 2HE PHE 88 19.802 -0.139 -1.204 596 HZ PHE 88 HZ PHE 88 19.262 1.702 -2.627 597 H GLU 89 H GLU 89 15.890 1.066 3.804 598 HA GLU 89 HA GLU 89 14.212 -0.715 5.160 599 HB2 GLU 89 2HB GLU 89 16.516 -0.092 5.830 600 HB3 GLU 89 1HB GLU 89 15.976 1.540 6.124 601 HG2 GLU 89 2HG GLU 89 16.283 0.287 8.168 602 HG3 GLU 89 1HG GLU 89 14.616 0.814 7.946 603 H ALA 90 H ALA 90 14.307 2.735 4.635 604 HA ALA 90 HA ALA 90 12.207 3.261 6.486 605 HB1 ALA 90 1HB ALA 90 13.770 5.024 5.840 606 HB2 ALA 90 2HB ALA 90 12.107 5.512 5.517 607 HB3 ALA 90 3HB ALA 90 13.145 4.985 4.192 608 H ALA 91 H ALA 91 12.347 2.901 3.007 609 HA ALA 91 HA ALA 91 9.615 3.302 2.499 610 HB1 ALA 91 1HB ALA 91 11.583 1.735 0.849 611 HB2 ALA 91 2HB ALA 91 11.388 3.484 0.815 612 HB3 ALA 91 3HB ALA 91 10.057 2.445 0.302 613 H LEU 92 H LEU 92 11.446 0.378 3.222 614 HA LEU 92 HA LEU 92 9.375 -1.457 2.734 615 HB2 LEU 92 2HB LEU 92 11.650 -1.606 4.719 616 HB3 LEU 92 1HB LEU 92 10.559 -2.931 4.391 617 HG LEU 92 HG LEU 92 12.447 -1.700 2.382 618 HD11 LEU 92 1HD1 LEU 92 13.645 -2.876 4.137 619 HD12 LEU 92 2HD1 LEU 92 13.715 -3.773 2.620 620 HD13 LEU 92 3HD1 LEU 92 12.621 -4.294 3.904 621 HD21 LEU 92 3HD2 LEU 92 11.880 -3.681 1.036 622 HD22 LEU 92 1HD2 LEU 92 10.477 -2.650 1.325 623 HD23 LEU 92 2HD2 LEU 92 10.684 -4.137 2.246 624 H ALA 93 H ALA 93 10.196 0.472 5.544 625 HA ALA 93 HA ALA 93 8.181 -0.692 7.179 626 HB1 ALA 93 1HB ALA 93 10.178 0.386 8.131 627 HB2 ALA 93 2HB ALA 93 8.685 1.099 8.746 628 HB3 ALA 93 3HB ALA 93 9.621 1.937 7.506 629 H THR 94 H THR 94 8.233 1.802 4.800 630 HA THR 94 HA THR 94 5.904 3.107 5.755 631 HB THR 94 HB THR 94 7.092 3.151 2.962 632 HG1 THR 94 1HG THR 94 8.515 3.769 4.809 633 HG21 THR 94 3HG2 THR 94 6.018 5.365 2.815 634 HG22 THR 94 1HG2 THR 94 5.349 5.145 4.432 635 HG23 THR 94 2HG2 THR 94 4.827 4.100 3.109 636 H GLY 95 H GLY 95 6.716 0.824 3.205 637 HA2 GLY 95 2HA GLY 95 4.103 0.462 2.229 638 HA3 GLY 95 1HA GLY 95 5.468 -0.611 1.952 639 H ASP 96 H ASP 96 5.989 -1.285 4.667 640 HA ASP 96 HA ASP 96 4.213 -3.449 4.872 641 HB2 ASP 96 2HB ASP 96 6.524 -3.609 5.606 642 HB3 ASP 96 1HB ASP 96 6.248 -2.372 6.826 643 H LEU 97 H LEU 97 4.576 -0.477 6.738 644 HA LEU 97 HA LEU 97 2.508 -1.181 8.537 645 HB2 LEU 97 2HB LEU 97 3.735 1.512 7.990 646 HB3 LEU 97 1HB LEU 97 2.605 1.187 9.291 647 HG LEU 97 HG LEU 97 5.368 0.007 8.986 648 HD11 LEU 97 1HD1 LEU 97 5.414 2.320 9.680 649 HD12 LEU 97 2HD1 LEU 97 5.886 1.263 11.009 650 HD13 LEU 97 3HD1 LEU 97 4.272 1.972 10.978 651 HD21 LEU 97 3HD2 LEU 97 4.959 -0.982 11.221 652 HD22 LEU 97 1HD2 LEU 97 3.894 -1.634 9.975 653 HD23 LEU 97 2HD2 LEU 97 3.279 -0.444 11.114 654 H LEU 98 H LEU 98 2.499 0.784 5.586 655 HA LEU 98 HA LEU 98 -0.260 1.367 5.954 656 HB2 LEU 98 2HB LEU 98 -0.290 2.353 3.773 657 HB3 LEU 98 1HB LEU 98 1.203 2.810 4.558 658 HG LEU 98 HG LEU 98 2.080 0.737 3.285 659 HD11 LEU 98 1HD1 LEU 98 -0.230 1.619 1.563 660 HD12 LEU 98 2HD1 LEU 98 0.056 0.013 2.241 661 HD13 LEU 98 3HD1 LEU 98 1.112 0.646 0.975 662 HD21 LEU 98 3HD2 LEU 98 3.009 2.948 3.062 663 HD22 LEU 98 1HD2 LEU 98 1.671 3.455 2.032 664 HD23 LEU 98 2HD2 LEU 98 2.828 2.258 1.451 665 H LEU 99 H LEU 99 1.460 -1.325 4.584 666 HA LEU 99 HA LEU 99 -0.654 -2.503 3.130 667 HB2 LEU 99 2HB LEU 99 1.826 -3.119 3.062 668 HB3 LEU 99 1HB LEU 99 1.620 -3.869 4.615 669 HG LEU 99 HG LEU 99 0.222 -4.822 2.096 670 HD11 LEU 99 1HD1 LEU 99 1.898 -6.599 2.056 671 HD12 LEU 99 2HD1 LEU 99 2.746 -5.825 3.395 672 HD13 LEU 99 3HD1 LEU 99 2.625 -5.009 1.837 673 HD21 LEU 99 3HD2 LEU 99 0.684 -6.170 4.758 674 HD22 LEU 99 1HD2 LEU 99 -0.104 -6.891 3.356 675 HD23 LEU 99 2HD2 LEU 99 -0.858 -5.528 4.188 676 H LYS 100 H LYS 100 0.479 -2.611 6.400 677 HA LYS 100 HA LYS 100 -1.422 -4.381 7.396 678 HB2 LYS 100 2HB LYS 100 0.322 -2.295 8.673 679 HB3 LYS 100 1HB LYS 100 -0.806 -3.258 9.615 680 HG2 LYS 100 2HG LYS 100 0.341 -5.279 9.047 681 HG3 LYS 100 1HG LYS 100 1.349 -4.431 7.875 682 HD2 LYS 100 2HD LYS 100 2.535 -3.304 9.520 683 HD3 LYS 100 1HD LYS 100 1.358 -3.679 10.793 684 HE2 LYS 100 2HE LYS 100 3.386 -5.022 11.041 685 HE3 LYS 100 1HE LYS 100 2.014 -6.050 10.651 686 HZ1 LYS 100 3HZ LYS 100 3.953 -6.672 9.382 687 HZ2 LYS 100 1HZ LYS 100 4.101 -5.111 8.770 688 HZ3 LYS 100 2HZ LYS 100 2.786 -6.071 8.337 689 H ASP 101 H ASP 101 -1.358 -0.947 6.759 690 HA ASP 101 HA ASP 101 -3.696 -0.422 8.268 691 HB2 ASP 101 2HB ASP 101 -2.053 1.365 7.818 692 HB3 ASP 101 1HB ASP 101 -2.424 1.263 6.103 693 H LEU 102 H LEU 102 -2.997 -1.157 4.924 694 HA LEU 102 HA LEU 102 -5.499 -0.827 3.734 695 HB2 LEU 102 2HB LEU 102 -3.406 -2.936 3.176 696 HB3 LEU 102 1HB LEU 102 -4.790 -2.630 2.152 697 HG LEU 102 HG LEU 102 -2.542 -0.683 2.683 698 HD11 LEU 102 1HD1 LEU 102 -3.198 -2.322 0.240 699 HD12 LEU 102 2HD1 LEU 102 -1.836 -2.584 1.326 700 HD13 LEU 102 3HD1 LEU 102 -1.919 -1.112 0.360 701 HD21 LEU 102 3HD2 LEU 102 -3.569 0.609 0.862 702 HD22 LEU 102 1HD2 LEU 102 -4.644 0.466 2.252 703 HD23 LEU 102 2HD2 LEU 102 -4.912 -0.530 0.824 704 H LYS 103 H LYS 103 -4.110 -3.699 5.290 705 HA LYS 103 HA LYS 103 -6.470 -5.198 5.081 706 HB2 LYS 103 2HB LYS 103 -4.055 -5.508 6.830 707 HB3 LYS 103 1HB LYS 103 -5.431 -6.590 6.956 708 HG2 LYS 103 2HG LYS 103 -5.141 -7.196 4.579 709 HG3 LYS 103 1HG LYS 103 -3.713 -6.157 4.516 710 HD2 LYS 103 2HD LYS 103 -2.566 -7.478 6.093 711 HD3 LYS 103 1HD LYS 103 -4.015 -8.390 6.510 712 HE2 LYS 103 2HE LYS 103 -2.625 -9.783 5.133 713 HE3 LYS 103 1HE LYS 103 -4.030 -9.298 4.193 714 HZ1 LYS 103 3HZ LYS 103 -2.029 -9.168 2.887 715 HZ2 LYS 103 1HZ LYS 103 -1.305 -8.131 3.991 716 HZ3 LYS 103 2HZ LYS 103 -2.649 -7.637 3.067 717 H ALA 104 H ALA 104 -5.463 -2.832 7.443 718 HA ALA 104 HA ALA 104 -7.285 -3.649 9.466 719 HB1 ALA 104 1HB ALA 104 -5.913 -0.989 9.064 720 HB2 ALA 104 2HB ALA 104 -5.269 -2.344 9.991 721 HB3 ALA 104 3HB ALA 104 -6.731 -1.519 10.533 722 H LEU 105 H LEU 105 -7.295 -1.187 6.939 723 HA LEU 105 HA LEU 105 -9.816 -0.249 7.682 724 HB2 LEU 105 2HB LEU 105 -9.699 1.254 5.895 725 HB3 LEU 105 1HB LEU 105 -8.014 0.964 6.244 726 HG LEU 105 HG LEU 105 -8.487 -0.902 4.337 727 HD11 LEU 105 1HD1 LEU 105 -10.233 1.429 3.612 728 HD12 LEU 105 2HD1 LEU 105 -10.744 -0.226 3.937 729 HD13 LEU 105 3HD1 LEU 105 -9.753 0.129 2.520 730 HD21 LEU 105 3HD2 LEU 105 -6.620 0.714 4.411 731 HD22 LEU 105 1HD2 LEU 105 -7.704 1.976 3.833 732 HD23 LEU 105 2HD2 LEU 105 -7.315 0.605 2.792 733 H GLN 106 H GLN 106 -8.593 -2.718 5.541 734 HA GLN 106 HA GLN 106 -10.964 -3.389 4.204 735 HB2 GLN 106 2HB GLN 106 -8.741 -4.267 3.552 736 HB3 GLN 106 1HB GLN 106 -8.677 -5.167 5.053 737 HG2 GLN 106 2HG GLN 106 -10.680 -6.417 4.349 738 HG3 GLN 106 1HG GLN 106 -10.603 -5.587 2.795 739 HE21 GLN 106 1HE2 GLN 106 -10.321 -7.577 1.718 740 HE22 GLN 106 2HE2 GLN 106 -8.817 -8.406 1.759 741 H LYS 107 H LYS 107 -9.682 -4.448 7.295 742 HA LYS 107 HA LYS 107 -11.827 -6.216 7.848 743 HB2 LYS 107 2HB LYS 107 -9.704 -4.915 9.467 744 HB3 LYS 107 1HB LYS 107 -11.151 -5.351 10.340 745 HG2 LYS 107 2HG LYS 107 -9.576 -7.087 10.652 746 HG3 LYS 107 1HG LYS 107 -10.820 -7.703 9.576 747 HD2 LYS 107 2HD LYS 107 -8.162 -6.652 8.603 748 HD3 LYS 107 1HD LYS 107 -8.391 -8.325 9.085 749 HE2 LYS 107 2HE LYS 107 -10.160 -8.524 7.343 750 HE3 LYS 107 1HE LYS 107 -9.795 -6.872 6.842 751 HZ1 LYS 107 3HZ LYS 107 -7.897 -9.148 6.825 752 HZ2 LYS 107 1HZ LYS 107 -7.528 -7.590 6.330 753 HZ3 LYS 107 2HZ LYS 107 -8.634 -8.519 5.461 754 H ARG 108 H ARG 108 -11.443 -2.789 8.216 755 HA ARG 108 HA ARG 108 -13.763 -2.372 9.790 756 HB2 ARG 108 2HB ARG 108 -11.846 -0.789 9.643 757 HB3 ARG 108 1HB ARG 108 -12.312 -0.438 7.989 758 HG2 ARG 108 2HG ARG 108 -14.478 0.401 8.805 759 HG3 ARG 108 1HG ARG 108 -13.938 0.108 10.459 760 HD2 ARG 108 2HD ARG 108 -13.557 2.425 9.956 761 HD3 ARG 108 1HD ARG 108 -12.003 1.591 10.023 762 HE ARG 108 HE ARG 108 -13.201 1.862 7.410 763 HH11 ARG 108 1HH1 ARG 108 -10.911 3.193 9.758 764 HH12 ARG 108 2HH1 ARG 108 -10.016 4.073 8.622 765 HH21 ARG 108 1HH2 ARG 108 -11.979 3.048 5.850 766 HH22 ARG 108 2HH2 ARG 108 -10.603 3.958 6.327 767 H VAL 109 H VAL 109 -13.049 -2.130 6.331 768 HA VAL 109 HA VAL 109 -15.617 -1.351 5.667 769 HB VAL 109 HB VAL 109 -13.514 -2.686 3.959 770 HG11 VAL 109 1HG1 VAL 109 -14.730 -1.695 2.028 771 HG12 VAL 109 2HG1 VAL 109 -15.989 -1.160 3.137 772 HG13 VAL 109 3HG1 VAL 109 -15.701 -2.882 2.897 773 HG21 VAL 109 3HG2 VAL 109 -13.021 -0.418 3.188 774 HG22 VAL 109 1HG2 VAL 109 -12.775 -0.599 4.926 775 HG23 VAL 109 2HG2 VAL 109 -14.221 0.212 4.317 776 H GLN 110 H GLN 110 -14.013 -4.457 5.859 777 HA GLN 110 HA GLN 110 -15.997 -6.175 4.931 778 HB2 GLN 110 2HB GLN 110 -13.679 -6.834 5.313 779 HB3 GLN 110 1HB GLN 110 -13.847 -6.518 7.023 780 HG2 GLN 110 2HG GLN 110 -13.834 -8.847 6.605 781 HG3 GLN 110 1HG GLN 110 -15.411 -8.344 7.214 782 HE21 GLN 110 1HE2 GLN 110 -14.396 -7.877 3.880 783 HE22 GLN 110 2HE2 GLN 110 -15.497 -9.009 3.199 784 H ASP 111 H ASP 111 -15.433 -4.569 7.955 785 HA ASP 111 HA ASP 111 -17.288 -6.011 9.466 786 HB2 ASP 111 2HB ASP 111 -15.464 -5.002 10.623 787 HB3 ASP 111 1HB ASP 111 -15.856 -3.421 9.969 788 H SER 112 H SER 112 -17.380 -3.084 7.584 789 HA SER 112 HA SER 112 -19.771 -1.965 8.506 790 HB2 SER 112 2HB SER 112 -18.583 -1.784 5.724 791 HB3 SER 112 1HB SER 112 -19.695 -0.638 6.475 792 HG SER 112 HG SER 112 -17.710 -0.859 8.142 793 H GLU 113 H GLU 113 -19.130 -4.658 6.418 794 HA GLU 113 HA GLU 113 -21.682 -4.729 5.139 795 HB2 GLU 113 2HB GLU 113 -19.636 -6.920 5.431 796 HB3 GLU 113 1HB GLU 113 -20.983 -6.905 4.306 797 HG2 GLU 113 2HG GLU 113 -19.932 -4.836 3.309 798 HG3 GLU 113 1HG GLU 113 -18.520 -5.207 4.290
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