NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
615977 | 5ttb | 30199 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ASP 14 1H ASP 14 -2.997 5.624 -0.972 2 HA ASP 14 HA ASP 14 -0.851 4.500 -1.309 3 HB2 ASP 14 2HB ASP 14 -1.595 2.276 -0.458 4 HB3 ASP 14 1HB ASP 14 -2.649 2.101 -1.849 5 H ASN 15 H ASN 15 -0.091 5.072 -3.352 6 HA ASN 15 HA ASN 15 -2.027 5.152 -5.542 7 HB2 ASN 15 2HB ASN 15 -0.662 7.633 -4.469 8 HB3 ASN 15 1HB ASN 15 -1.527 7.543 -5.994 9 HD21 ASN 15 1HD2 ASN 15 -3.782 7.553 -5.981 10 HD22 ASN 15 2HD2 ASN 15 -4.680 7.769 -4.536 11 H ARG 16 H ARG 16 -0.778 4.017 -7.107 12 HA ARG 16 HA ARG 16 1.884 5.194 -7.551 13 HB2 ARG 16 2HB ARG 16 1.073 2.529 -8.749 14 HB3 ARG 16 1HB ARG 16 2.687 3.163 -8.514 15 HG2 ARG 16 2HG ARG 16 2.495 1.430 -6.946 16 HG3 ARG 16 1HG ARG 16 2.218 2.893 -5.993 17 HD2 ARG 16 2HD ARG 16 -0.193 2.561 -6.142 18 HD3 ARG 16 1HD ARG 16 0.035 1.158 -7.167 19 HE ARG 16 HE ARG 16 0.521 1.399 -4.314 20 HH11 ARG 16 1HH1 ARG 16 0.511 -0.626 -7.253 21 HH12 ARG 16 2HH1 ARG 16 0.365 -2.096 -6.428 22 HH21 ARG 16 1HH2 ARG 16 0.197 -0.531 -3.194 23 HH22 ARG 16 2HH2 ARG 16 0.181 -2.074 -3.949 24 H HIS 17 H HIS 17 -0.232 3.303 -9.800 25 HA HIS 17 HA HIS 17 -0.167 5.474 -11.752 26 HB2 HIS 17 2HB HIS 17 -0.422 2.972 -12.386 27 HB3 HIS 17 1HB HIS 17 -2.013 3.125 -11.620 28 HD1 HIS 17 HD1 HIS 17 -3.664 2.912 -13.540 29 HD2 HIS 17 HD2 HIS 17 -0.509 5.514 -14.370 30 HE1 HIS 17 HE1 HIS 17 -4.193 3.983 -15.734 31 H ALA 18 H ALA 18 -2.114 4.077 -9.394 32 HA ALA 18 HA ALA 18 -4.492 5.432 -9.416 33 HB1 ALA 18 1HB ALA 18 -4.156 3.577 -7.929 34 HB2 ALA 18 2HB ALA 18 -4.574 4.983 -6.951 35 HB3 ALA 18 3HB ALA 18 -2.897 4.443 -7.074 36 H ALA 19 H ALA 19 -1.425 6.808 -8.902 37 HA ALA 19 HA ALA 19 -1.814 9.009 -7.276 38 HB1 ALA 19 1HB ALA 19 0.327 8.423 -8.345 39 HB2 ALA 19 2HB ALA 19 -0.091 10.122 -8.574 40 HB3 ALA 19 3HB ALA 19 -0.314 8.972 -9.892 41 H ASP 20 H ASP 20 -3.275 8.431 -10.400 42 HA ASP 20 HA ASP 20 -4.211 10.977 -11.101 43 HB2 ASP 20 2HB ASP 20 -4.661 8.887 -12.437 44 HB3 ASP 20 1HB ASP 20 -5.779 8.395 -11.161 45 H TYR 21 H TYR 21 -5.502 8.619 -8.789 46 HA TYR 21 HA TYR 21 -7.788 9.996 -7.934 47 HB2 TYR 21 2HB TYR 21 -7.380 7.608 -7.397 48 HB3 TYR 21 1HB TYR 21 -6.077 8.088 -6.317 49 HD1 TYR 21 HD1 TYR 21 -9.696 8.268 -6.859 50 HD2 TYR 21 HD2 TYR 21 -6.567 8.841 -4.020 51 HE1 TYR 21 HE1 TYR 21 -11.334 8.541 -5.087 52 HE2 TYR 21 HE2 TYR 21 -8.214 9.088 -2.252 53 HH TYR 21 HH TYR 21 -11.482 8.303 -2.679 54 H GLN 22 H GLN 22 -4.443 10.484 -7.216 55 HA GLN 22 HA GLN 22 -4.804 11.712 -4.710 56 HB2 GLN 22 2HB GLN 22 -2.576 10.937 -5.634 57 HB3 GLN 22 1HB GLN 22 -2.592 12.368 -6.658 58 HG2 GLN 22 2HG GLN 22 -2.765 13.759 -4.611 59 HG3 GLN 22 1HG GLN 22 -2.561 12.295 -3.652 60 HE21 GLN 22 1HE2 GLN 22 -1.094 14.591 -5.694 61 HE22 GLN 22 2HE2 GLN 22 0.553 14.110 -5.440 62 H GLN 23 H GLN 23 -4.798 12.929 -8.030 63 HA GLN 23 HA GLN 23 -5.193 15.627 -7.321 64 HB2 GLN 23 2HB GLN 23 -5.563 14.087 -9.862 65 HB3 GLN 23 1HB GLN 23 -6.110 15.760 -9.753 66 HG2 GLN 23 2HG GLN 23 -3.323 14.864 -9.089 67 HG3 GLN 23 1HG GLN 23 -3.814 15.490 -10.667 68 HE21 GLN 23 1HE2 GLN 23 -2.026 16.502 -8.452 69 HE22 GLN 23 2HE2 GLN 23 -2.566 18.096 -8.142 70 H LEU 24 H LEU 24 -7.409 12.988 -7.822 71 HA LEU 24 HA LEU 24 -9.794 14.495 -7.689 72 HB2 LEU 24 2HB LEU 24 -10.036 12.222 -8.410 73 HB3 LEU 24 1HB LEU 24 -9.291 11.474 -7.039 74 HG LEU 24 HG LEU 24 -11.979 12.868 -7.045 75 HD11 LEU 24 1HD1 LEU 24 -12.882 10.597 -7.120 76 HD12 LEU 24 2HD1 LEU 24 -11.250 9.956 -7.302 77 HD13 LEU 24 3HD1 LEU 24 -11.946 10.976 -8.563 78 HD21 LEU 24 1HD2 LEU 24 -12.371 11.598 -4.982 79 HD22 LEU 24 2HD2 LEU 24 -10.979 12.666 -4.794 80 HD23 LEU 24 3HD2 LEU 24 -10.736 10.946 -5.060 81 H ARG 25 H ARG 25 -7.566 13.406 -5.335 82 HA ARG 25 HA ARG 25 -9.323 13.937 -3.121 83 HB2 ARG 25 2HB ARG 25 -7.975 11.967 -3.109 84 HB3 ARG 25 1HB ARG 25 -6.518 12.934 -3.264 85 HG2 ARG 25 2HG ARG 25 -6.756 13.814 -1.112 86 HG3 ARG 25 1HG ARG 25 -8.408 13.191 -0.976 87 HD2 ARG 25 2HD ARG 25 -6.924 11.830 0.233 88 HD3 ARG 25 1HD ARG 25 -7.641 11.022 -1.186 89 HE ARG 25 HE ARG 25 -5.157 12.111 -1.920 90 HH11 ARG 25 1HH1 ARG 25 -6.302 9.393 0.060 91 HH12 ARG 25 2HH1 ARG 25 -4.944 8.408 -0.225 92 HH21 ARG 25 1HH2 ARG 25 -3.273 10.680 -2.369 93 HH22 ARG 25 2HH2 ARG 25 -3.260 9.124 -1.699 94 H GLU 26 H GLU 26 -6.405 15.210 -4.566 95 HA GLU 26 HA GLU 26 -5.826 17.202 -2.762 96 HB2 GLU 26 2HB GLU 26 -5.414 16.887 -5.713 97 HB3 GLU 26 1HB GLU 26 -4.853 18.316 -4.880 98 HG2 GLU 26 2HG GLU 26 -3.430 16.941 -3.441 99 HG3 GLU 26 1HG GLU 26 -4.065 15.485 -4.196 100 H ARG 27 H ARG 27 -8.044 17.146 -5.507 101 HA ARG 27 HA ARG 27 -8.986 19.764 -4.975 102 HB2 ARG 27 2HB ARG 27 -9.375 18.901 -7.194 103 HB3 ARG 27 1HB ARG 27 -10.228 17.499 -6.547 104 HG2 ARG 27 2HG ARG 27 -12.017 18.885 -5.756 105 HG3 ARG 27 1HG ARG 27 -11.158 20.337 -6.247 106 HD2 ARG 27 2HD ARG 27 -11.469 19.837 -8.544 107 HD3 ARG 27 1HD ARG 27 -12.032 18.200 -8.195 108 HE ARG 27 HE ARG 27 -13.839 19.480 -6.868 109 HH11 ARG 27 1HH1 ARG 27 -12.647 20.463 -10.039 110 HH12 ARG 27 2HH1 ARG 27 -14.087 21.289 -10.456 111 HH21 ARG 27 1HH2 ARG 27 -15.626 20.501 -7.324 112 HH22 ARG 27 2HH2 ARG 27 -15.939 21.337 -8.789 113 H LEU 28 H LEU 28 -10.089 16.502 -4.011 114 HA LEU 28 HA LEU 28 -12.476 17.065 -2.870 115 HB2 LEU 28 2HB LEU 28 -11.063 14.823 -3.227 116 HB3 LEU 28 1HB LEU 28 -10.725 14.946 -1.545 117 HG LEU 28 HG LEU 28 -13.474 14.992 -2.733 118 HD11 LEU 28 1HD1 LEU 28 -13.651 12.650 -1.909 119 HD12 LEU 28 2HD1 LEU 28 -11.917 12.698 -1.562 120 HD13 LEU 28 3HD1 LEU 28 -12.494 12.872 -3.215 121 HD21 LEU 28 1HD2 LEU 28 -13.413 15.998 -0.527 122 HD22 LEU 28 2HD2 LEU 28 -12.590 14.579 0.122 123 HD23 LEU 28 3HD2 LEU 28 -14.250 14.448 -0.461 124 H ILE 29 H ILE 29 -9.321 17.564 -1.426 125 HA ILE 29 HA ILE 29 -10.116 18.100 1.194 126 HB ILE 29 HB ILE 29 -7.794 19.310 -0.347 127 HG12 ILE 29 2HG1 ILE 29 -7.973 16.990 1.564 128 HG13 ILE 29 1HG1 ILE 29 -7.784 16.859 -0.180 129 HG21 ILE 29 1HG2 ILE 29 -8.329 20.686 1.617 130 HG22 ILE 29 2HG2 ILE 29 -6.812 19.819 1.856 131 HG23 ILE 29 3HG2 ILE 29 -8.285 19.252 2.642 132 HD11 ILE 29 1HD1 ILE 29 -5.718 16.442 0.979 133 HD12 ILE 29 2HD1 ILE 29 -5.808 18.017 1.765 134 HD13 ILE 29 3HD1 ILE 29 -5.578 17.914 0.010 135 H GLN 30 H GLN 30 -9.755 20.411 -1.487 136 HA GLN 30 HA GLN 30 -10.870 22.486 0.170 137 HB2 GLN 30 2HB GLN 30 -10.033 22.585 -2.722 138 HB3 GLN 30 1HB GLN 30 -10.783 23.934 -1.892 139 HG2 GLN 30 2HG GLN 30 -8.497 24.374 -1.798 140 HG3 GLN 30 1HG GLN 30 -8.913 23.785 -0.202 141 HE21 GLN 30 1HE2 GLN 30 -8.498 21.768 -3.029 142 HE22 GLN 30 2HE2 GLN 30 -7.110 20.932 -2.454 143 H GLU 31 H GLU 31 -12.087 20.155 -1.931 144 HA GLU 31 HA GLU 31 -14.340 21.302 -3.043 145 HB2 GLU 31 2HB GLU 31 -13.422 19.069 -3.511 146 HB3 GLU 31 1HB GLU 31 -14.077 18.487 -1.985 147 HG2 GLU 31 2HG GLU 31 -15.508 17.792 -3.767 148 HG3 GLU 31 1HG GLU 31 -16.343 19.037 -2.840 149 H LEU 32 H LEU 32 -14.231 19.452 0.108 150 HA LEU 32 HA LEU 32 -16.702 20.851 0.859 151 HB2 LEU 32 2HB LEU 32 -15.132 18.736 2.298 152 HB3 LEU 32 1HB LEU 32 -16.613 19.448 2.884 153 HG LEU 32 HG LEU 32 -16.300 17.724 0.442 154 HD11 LEU 32 1HD1 LEU 32 -17.551 16.109 1.799 155 HD12 LEU 32 2HD1 LEU 32 -17.517 17.228 3.158 156 HD13 LEU 32 3HD1 LEU 32 -16.018 16.533 2.547 157 HD21 LEU 32 1HD2 LEU 32 -18.097 19.377 0.154 158 HD22 LEU 32 2HD2 LEU 32 -18.774 18.919 1.716 159 HD23 LEU 32 3HD2 LEU 32 -18.764 17.763 0.386 160 H ASN 33 H ASN 33 -13.589 21.604 0.915 161 HA ASN 33 HA ASN 33 -12.115 22.791 2.142 162 HB2 ASN 33 2HB ASN 33 -13.914 24.554 2.050 163 HB3 ASN 33 1HB ASN 33 -14.566 23.930 3.558 164 HD21 ASN 33 1HD2 ASN 33 -13.407 24.289 5.457 165 HD22 ASN 33 2HD2 ASN 33 -12.188 25.526 5.583 166 H LEU 34 H LEU 34 -11.559 20.727 2.884 167 HA LEU 34 HA LEU 34 -12.289 20.094 5.647 168 HB2 LEU 34 2HB LEU 34 -10.959 18.371 3.543 169 HB3 LEU 34 1HB LEU 34 -11.475 17.842 5.131 170 HG LEU 34 HG LEU 34 -13.308 18.897 3.036 171 HD11 LEU 34 1HD1 LEU 34 -13.998 16.564 2.577 172 HD12 LEU 34 2HD1 LEU 34 -12.853 15.998 3.779 173 HD13 LEU 34 3HD1 LEU 34 -12.269 16.759 2.300 174 HD21 LEU 34 1HD2 LEU 34 -14.225 19.142 5.238 175 HD22 LEU 34 2HD2 LEU 34 -13.862 17.459 5.618 176 HD23 LEU 34 3HD2 LEU 34 -15.082 17.845 4.404 177 H THR 35 H THR 35 -10.678 19.600 7.085 178 HA THR 35 HA THR 35 -8.185 21.036 6.711 179 HB THR 35 HB THR 35 -9.157 19.335 9.040 180 HG1 THR 35 1HG THR 35 -10.314 21.430 8.062 181 HG21 THR 35 1HG2 THR 35 -7.736 20.823 10.395 182 HG22 THR 35 2HG2 THR 35 -7.235 21.678 8.935 183 HG23 THR 35 3HG2 THR 35 -6.784 19.988 9.169 184 HA PRO 36 HA PRO 36 -5.928 17.270 5.365 185 HB2 PRO 36 2HB PRO 36 -3.808 18.174 7.267 186 HB3 PRO 36 1HB PRO 36 -3.655 17.745 5.548 187 HG2 PRO 36 2HG PRO 36 -3.553 20.268 6.257 188 HG3 PRO 36 1HG PRO 36 -4.450 19.775 4.806 189 HD2 PRO 36 2HD PRO 36 -5.506 20.591 7.471 190 HD3 PRO 36 1HD PRO 36 -6.152 20.908 5.848 191 H GLN 37 H GLN 37 -6.143 18.068 8.769 192 HA GLN 37 HA GLN 37 -5.681 15.344 9.613 193 HB2 GLN 37 2HB GLN 37 -6.845 17.609 11.266 194 HB3 GLN 37 1HB GLN 37 -6.246 16.083 11.885 195 HG2 GLN 37 2HG GLN 37 -4.510 17.520 12.369 196 HG3 GLN 37 1HG GLN 37 -3.989 16.840 10.831 197 HE21 GLN 37 1HE2 GLN 37 -5.166 19.644 12.464 198 HE22 GLN 37 2HE2 GLN 37 -4.831 20.770 11.195 199 H GLN 38 H GLN 38 -8.216 16.717 8.052 200 HA GLN 38 HA GLN 38 -10.234 15.013 9.280 201 HB2 GLN 38 2HB GLN 38 -10.639 17.499 9.327 202 HB3 GLN 38 1HB GLN 38 -10.444 17.513 7.585 203 HG2 GLN 38 2HG GLN 38 -12.344 16.185 7.293 204 HG3 GLN 38 1HG GLN 38 -12.600 16.072 9.047 205 HE21 GLN 38 1HE2 GLN 38 -14.608 17.129 8.924 206 HE22 GLN 38 2HE2 GLN 38 -14.725 18.824 8.588 207 H LEU 39 H LEU 39 -7.983 15.258 6.812 208 HA LEU 39 HA LEU 39 -9.580 13.616 5.115 209 HB2 LEU 39 2HB LEU 39 -9.869 16.096 4.432 210 HB3 LEU 39 1HB LEU 39 -8.220 16.000 3.869 211 HG LEU 39 HG LEU 39 -9.994 15.786 2.115 212 HD11 LEU 39 1HD1 LEU 39 -8.127 13.446 2.390 213 HD12 LEU 39 2HD1 LEU 39 -7.719 15.004 1.679 214 HD13 LEU 39 3HD1 LEU 39 -8.918 13.958 0.903 215 HD21 LEU 39 1HD2 LEU 39 -11.560 14.429 3.397 216 HD22 LEU 39 2HD2 LEU 39 -10.426 13.071 3.350 217 HD23 LEU 39 3HD2 LEU 39 -11.144 13.666 1.864 218 H HIS 40 H HIS 40 -8.129 12.221 6.050 219 HA HIS 40 HA HIS 40 -5.800 11.889 4.335 220 HB2 HIS 40 2HB HIS 40 -5.027 12.085 6.696 221 HB3 HIS 40 1HB HIS 40 -6.211 10.886 7.200 222 HD1 HIS 40 HD1 HIS 40 -5.193 8.693 7.600 223 HD2 HIS 40 HD2 HIS 40 -3.146 10.783 4.661 224 HE1 HIS 40 HE1 HIS 40 -3.497 7.112 6.742 225 H GLU 41 H GLU 41 -5.551 9.290 4.028 226 HA GLU 41 HA GLU 41 -7.993 8.880 2.815 227 HB2 GLU 41 2HB GLU 41 -7.074 6.622 1.971 228 HB3 GLU 41 1HB GLU 41 -6.418 8.129 1.383 229 HG2 GLU 41 2HG GLU 41 -4.520 7.850 2.965 230 HG3 GLU 41 1HG GLU 41 -5.176 6.269 3.397 231 H GLU 42 H GLU 42 -7.428 8.010 5.963 232 HA GLU 42 HA GLU 42 -9.324 5.771 5.802 233 HB2 GLU 42 2HB GLU 42 -8.581 5.132 7.972 234 HB3 GLU 42 1HB GLU 42 -7.165 5.828 7.262 235 HG2 GLU 42 2HG GLU 42 -8.985 7.395 9.067 236 HG3 GLU 42 1HG GLU 42 -7.577 6.500 9.626 237 H SER 43 H SER 43 -9.301 9.080 6.151 238 HA SER 43 HA SER 43 -11.276 9.534 8.064 239 HB2 SER 43 2HB SER 43 -10.554 11.220 5.661 240 HB3 SER 43 1HB SER 43 -11.340 11.778 7.140 241 HG SER 43 HG SER 43 -8.891 10.473 7.550 242 H ASN 44 H ASN 44 -13.485 9.694 7.931 243 HA ASN 44 HA ASN 44 -14.654 8.256 5.724 244 HB2 ASN 44 2HB ASN 44 -15.874 9.246 8.329 245 HB3 ASN 44 1HB ASN 44 -16.802 8.489 7.067 246 HD21 ASN 44 1HD2 ASN 44 -13.525 7.402 7.913 247 HD22 ASN 44 2HD2 ASN 44 -14.062 5.921 8.602 248 H LEU 45 H LEU 45 -15.693 9.073 4.135 249 HA LEU 45 HA LEU 45 -15.692 11.924 3.870 250 HB2 LEU 45 2HB LEU 45 -16.377 9.748 1.951 251 HB3 LEU 45 1HB LEU 45 -16.638 11.437 1.554 252 HG LEU 45 HG LEU 45 -13.940 10.271 2.313 253 HD11 LEU 45 1HD1 LEU 45 -13.391 10.522 -0.015 254 HD12 LEU 45 2HD1 LEU 45 -15.062 10.970 -0.372 255 HD13 LEU 45 3HD1 LEU 45 -14.683 9.353 0.241 256 HD21 LEU 45 1HD2 LEU 45 -14.753 13.002 1.254 257 HD22 LEU 45 2HD2 LEU 45 -13.113 12.422 1.410 258 HD23 LEU 45 3HD2 LEU 45 -14.094 12.648 2.850 259 H ILE 46 H ILE 46 -18.279 9.567 4.265 260 HA ILE 46 HA ILE 46 -20.310 11.562 3.909 261 HB ILE 46 HB ILE 46 -20.470 8.899 5.387 262 HG12 ILE 46 2HG1 ILE 46 -19.974 8.603 3.016 263 HG13 ILE 46 1HG1 ILE 46 -21.592 8.025 3.385 264 HG21 ILE 46 1HG2 ILE 46 -22.238 10.366 6.170 265 HG22 ILE 46 2HG2 ILE 46 -22.912 9.062 5.191 266 HG23 ILE 46 3HG2 ILE 46 -22.740 10.679 4.508 267 HD11 ILE 46 1HD1 ILE 46 -21.539 9.163 1.272 268 HD12 ILE 46 2HD1 ILE 46 -20.854 10.605 2.026 269 HD13 ILE 46 3HD1 ILE 46 -22.502 10.096 2.422 270 H GLN 47 H GLN 47 -18.251 10.569 6.425 271 HA GLN 47 HA GLN 47 -19.496 11.721 8.706 272 HB2 GLN 47 2HB GLN 47 -17.741 9.984 8.697 273 HB3 GLN 47 1HB GLN 47 -16.602 11.170 8.081 274 HG2 GLN 47 2HG GLN 47 -17.001 12.455 10.201 275 HG3 GLN 47 1HG GLN 47 -17.907 11.015 10.733 276 HE21 GLN 47 1HE2 GLN 47 -16.489 10.663 12.434 277 HE22 GLN 47 2HE2 GLN 47 -14.906 10.012 12.162 278 H ALA 48 H ALA 48 -17.310 12.831 6.199 279 HA ALA 48 HA ALA 48 -16.797 15.385 7.419 280 HB1 ALA 48 1HB ALA 48 -15.496 15.835 5.401 281 HB2 ALA 48 2HB ALA 48 -16.124 14.365 4.658 282 HB3 ALA 48 3HB ALA 48 -15.080 14.259 6.076 283 H GLY 49 H GLY 49 -19.254 14.051 5.551 284 HA2 GLY 49 2HA GLY 49 -21.269 15.133 5.059 285 HA3 GLY 49 1HA GLY 49 -20.451 16.677 5.223 286 H LEU 50 H LEU 50 -19.329 14.006 3.141 287 HA LEU 50 HA LEU 50 -19.298 15.686 0.805 288 HB2 LEU 50 2HB LEU 50 -17.789 13.666 1.548 289 HB3 LEU 50 1HB LEU 50 -19.111 12.734 0.858 290 HG LEU 50 HG LEU 50 -18.842 13.833 -1.241 291 HD11 LEU 50 1HD1 LEU 50 -16.451 15.199 0.067 292 HD12 LEU 50 2HD1 LEU 50 -17.875 15.995 -0.610 293 HD13 LEU 50 3HD1 LEU 50 -16.747 15.152 -1.666 294 HD21 LEU 50 1HD2 LEU 50 -17.689 11.788 -0.782 295 HD22 LEU 50 2HD2 LEU 50 -16.321 12.732 -0.157 296 HD23 LEU 50 3HD2 LEU 50 -16.744 12.818 -1.875 297 H ASP 51 H ASP 51 -21.097 16.325 0.064 298 HA ASP 51 HA ASP 51 -23.550 14.980 0.264 299 HB2 ASP 51 2HB ASP 51 -24.410 16.641 -1.306 300 HB3 ASP 51 1HB ASP 51 -23.406 17.414 -0.084 301 H SER 52 H SER 52 -24.863 14.363 -1.641 302 HA SER 52 HA SER 52 -23.336 12.384 -2.905 303 HB2 SER 52 2HB SER 52 -26.282 12.866 -3.274 304 HB3 SER 52 1HB SER 52 -25.290 11.462 -3.760 305 HG SER 52 HG SER 52 -24.819 12.004 -1.208 306 H ILE 53 H ILE 53 -24.006 15.581 -3.903 307 HA ILE 53 HA ILE 53 -24.035 14.838 -6.667 308 HB ILE 53 HB ILE 53 -23.294 17.563 -5.542 309 HG12 ILE 53 2HG1 ILE 53 -25.610 16.986 -4.894 310 HG13 ILE 53 1HG1 ILE 53 -25.605 18.257 -6.107 311 HG21 ILE 53 1HG2 ILE 53 -23.661 18.365 -7.851 312 HG22 ILE 53 2HG2 ILE 53 -24.187 16.752 -8.327 313 HG23 ILE 53 3HG2 ILE 53 -22.527 17.000 -7.906 314 HD11 ILE 53 1HD1 ILE 53 -26.171 16.596 -7.826 315 HD12 ILE 53 2HD1 ILE 53 -27.370 16.650 -6.535 316 HD13 ILE 53 3HD1 ILE 53 -26.195 15.337 -6.589 317 H ARG 54 H ARG 54 -21.704 15.968 -4.241 318 HA ARG 54 HA ARG 54 -19.422 15.884 -5.854 319 HB2 ARG 54 2HB ARG 54 -19.967 15.630 -2.970 320 HB3 ARG 54 1HB ARG 54 -18.448 14.939 -3.497 321 HG2 ARG 54 2HG ARG 54 -18.127 17.191 -2.734 322 HG3 ARG 54 1HG ARG 54 -17.820 17.094 -4.461 323 HD2 ARG 54 2HD ARG 54 -20.016 18.044 -4.907 324 HD3 ARG 54 1HD ARG 54 -20.348 18.105 -3.173 325 HE ARG 54 HE ARG 54 -18.153 19.605 -4.461 326 HH11 ARG 54 1HH1 ARG 54 -20.776 19.455 -2.075 327 HH12 ARG 54 2HH1 ARG 54 -20.430 20.985 -1.432 328 HH21 ARG 54 1HH2 ARG 54 -17.658 21.519 -3.639 329 HH22 ARG 54 2HH2 ARG 54 -18.502 22.257 -2.340 330 H LEU 55 H LEU 55 -20.954 13.373 -3.972 331 HA LEU 55 HA LEU 55 -19.347 11.196 -4.538 332 HB2 LEU 55 2HB LEU 55 -22.311 11.396 -4.188 333 HB3 LEU 55 1HB LEU 55 -21.570 9.851 -4.143 334 HG LEU 55 HG LEU 55 -21.286 12.117 -2.168 335 HD11 LEU 55 1HD1 LEU 55 -23.198 10.648 -1.831 336 HD12 LEU 55 2HD1 LEU 55 -21.993 10.526 -0.548 337 HD13 LEU 55 3HD1 LEU 55 -22.104 9.257 -1.766 338 HD21 LEU 55 1HD2 LEU 55 -19.596 9.644 -2.338 339 HD22 LEU 55 2HD2 LEU 55 -19.726 10.686 -0.924 340 HD23 LEU 55 3HD2 LEU 55 -19.085 11.338 -2.430 341 H MET 56 H MET 56 -22.083 12.428 -6.416 342 HA MET 56 HA MET 56 -21.717 10.420 -8.435 343 HB2 MET 56 2HB MET 56 -23.594 12.774 -8.320 344 HB3 MET 56 1HB MET 56 -23.589 11.566 -9.604 345 HG2 MET 56 2HG MET 56 -24.055 9.825 -7.995 346 HG3 MET 56 1HG MET 56 -24.008 10.999 -6.690 347 HE1 MET 56 HE1 MET 56 -26.237 10.137 -5.791 348 HE2 MET 56 HE2 MET 56 -26.216 8.933 -7.060 349 HE3 MET 56 HE3 MET 56 -27.688 9.878 -6.770 350 H ARG 57 H ARG 57 -20.487 13.569 -7.918 351 HA ARG 57 HA ARG 57 -20.063 14.101 -10.608 352 HB2 ARG 57 2HB ARG 57 -18.704 15.295 -8.198 353 HB3 ARG 57 1HB ARG 57 -18.285 15.775 -9.830 354 HG2 ARG 57 2HG ARG 57 -20.931 16.072 -8.458 355 HG3 ARG 57 1HG ARG 57 -19.819 17.378 -8.872 356 HD2 ARG 57 2HD ARG 57 -21.541 17.465 -10.515 357 HD3 ARG 57 1HD ARG 57 -20.185 16.675 -11.315 358 HE ARG 57 HE ARG 57 -22.276 15.058 -10.074 359 HH11 ARG 57 1HH1 ARG 57 -20.737 16.165 -13.074 360 HH12 ARG 57 2HH1 ARG 57 -21.383 14.917 -14.039 361 HH21 ARG 57 1HH2 ARG 57 -23.179 13.323 -11.442 362 HH22 ARG 57 2HH2 ARG 57 -22.757 13.245 -13.079 363 H TRP 58 H TRP 58 -18.241 12.716 -7.966 364 HA TRP 58 HA TRP 58 -15.762 12.460 -9.202 365 HB2 TRP 58 2HB TRP 58 -16.943 11.121 -6.802 366 HB3 TRP 58 1HB TRP 58 -15.330 10.737 -7.379 367 HD1 TRP 58 HD1 TRP 58 -16.623 12.539 -4.668 368 HE1 TRP 58 HE1 TRP 58 -15.214 14.530 -4.002 369 HE3 TRP 58 HE3 TRP 58 -13.959 13.140 -9.029 370 HZ2 TRP 58 HZ2 TRP 58 -13.156 16.185 -5.195 371 HZ3 TRP 58 HZ3 TRP 58 -12.338 14.953 -9.156 372 HH2 TRP 58 HH2 TRP 58 -11.960 16.440 -7.276 373 H LEU 59 H LEU 59 -18.548 10.410 -9.355 374 HA LEU 59 HA LEU 59 -17.322 8.000 -10.047 375 HB2 LEU 59 2HB LEU 59 -19.751 8.209 -9.590 376 HB3 LEU 59 1HB LEU 59 -19.943 9.044 -11.122 377 HG LEU 59 HG LEU 59 -19.187 7.037 -12.302 378 HD11 LEU 59 1HD1 LEU 59 -19.271 5.739 -9.581 379 HD12 LEU 59 2HD1 LEU 59 -17.843 5.980 -10.591 380 HD13 LEU 59 3HD1 LEU 59 -19.117 4.881 -11.113 381 HD21 LEU 59 1HD2 LEU 59 -21.565 7.451 -12.026 382 HD22 LEU 59 2HD2 LEU 59 -21.550 6.589 -10.482 383 HD23 LEU 59 3HD2 LEU 59 -21.208 5.726 -11.986 384 H HIS 60 H HIS 60 -18.094 10.777 -12.040 385 HA HIS 60 HA HIS 60 -17.405 9.581 -14.541 386 HB2 HIS 60 2HB HIS 60 -17.481 12.511 -13.765 387 HB3 HIS 60 1HB HIS 60 -17.304 11.911 -15.404 388 HD1 HIS 60 HD1 HIS 60 -19.484 11.076 -16.584 389 HD2 HIS 60 HD2 HIS 60 -20.033 12.394 -12.685 390 HE1 HIS 60 HE1 HIS 60 -21.967 11.384 -16.297 391 H TRP 61 H TRP 61 -15.679 11.186 -12.015 392 HA TRP 61 HA TRP 61 -13.364 11.853 -13.531 393 HB2 TRP 61 2HB TRP 61 -14.327 12.846 -11.287 394 HB3 TRP 61 1HB TRP 61 -13.352 11.581 -10.548 395 HD1 TRP 61 HD1 TRP 61 -13.120 14.922 -12.227 396 HE1 TRP 61 HE1 TRP 61 -10.691 15.773 -12.169 397 HE3 TRP 61 HE3 TRP 61 -10.869 10.721 -10.511 398 HZ2 TRP 61 HZ2 TRP 61 -8.166 14.784 -11.475 399 HZ3 TRP 61 HZ3 TRP 61 -8.457 10.751 -10.167 400 HH2 TRP 61 HH2 TRP 61 -7.135 12.707 -10.636 401 H PHE 62 H PHE 62 -14.390 9.134 -11.597 402 HA PHE 62 HA PHE 62 -11.871 7.771 -11.551 403 HB2 PHE 62 2HB PHE 62 -14.694 6.797 -11.186 404 HB3 PHE 62 1HB PHE 62 -13.308 5.721 -11.126 405 HD1 PHE 62 HD1 PHE 62 -11.509 6.273 -9.489 406 HD2 PHE 62 HD2 PHE 62 -15.401 7.901 -9.296 407 HE1 PHE 62 HE1 PHE 62 -11.199 6.733 -7.082 408 HE2 PHE 62 HE2 PHE 62 -15.101 8.376 -6.912 409 HZ PHE 62 HZ PHE 62 -12.965 7.777 -5.820 410 H ARG 63 H ARG 63 -14.795 7.390 -13.432 411 HA ARG 63 HA ARG 63 -13.827 5.294 -15.048 412 HB2 ARG 63 2HB ARG 63 -16.156 7.188 -15.555 413 HB3 ARG 63 1HB ARG 63 -15.824 5.640 -16.360 414 HG2 ARG 63 2HG ARG 63 -16.012 5.473 -13.459 415 HG3 ARG 63 1HG ARG 63 -17.500 5.944 -14.275 416 HD2 ARG 63 2HD ARG 63 -17.330 3.520 -13.988 417 HD3 ARG 63 1HD ARG 63 -17.392 3.983 -15.681 418 HE ARG 63 HE ARG 63 -14.794 3.446 -14.417 419 HH11 ARG 63 1HH1 ARG 63 -17.237 2.506 -16.791 420 HH12 ARG 63 2HH1 ARG 63 -16.253 1.384 -17.607 421 HH21 ARG 63 1HH2 ARG 63 -13.428 1.939 -15.493 422 HH22 ARG 63 2HH2 ARG 63 -13.969 1.044 -16.836 423 H LYS 64 H LYS 64 -13.281 8.617 -15.107 424 HA LYS 64 HA LYS 64 -12.734 9.508 -17.629 425 HB2 LYS 64 2HB LYS 64 -12.524 10.797 -15.558 426 HB3 LYS 64 1HB LYS 64 -11.111 9.875 -15.111 427 HG2 LYS 64 2HG LYS 64 -9.895 10.857 -17.017 428 HG3 LYS 64 1HG LYS 64 -11.329 11.804 -17.420 429 HD2 LYS 64 2HD LYS 64 -10.103 13.337 -16.162 430 HD3 LYS 64 1HD LYS 64 -11.164 12.643 -14.950 431 HE2 LYS 64 2HE LYS 64 -8.228 11.992 -15.399 432 HE3 LYS 64 1HE LYS 64 -8.906 12.889 -14.055 433 HZ1 LYS 64 1HZ LYS 64 -8.397 10.683 -13.307 434 HZ2 LYS 64 2HZ LYS 64 -9.030 10.028 -14.648 435 HZ3 LYS 64 3HZ LYS 64 -10.092 10.660 -13.472 436 H ASN 65 H ASN 65 -10.557 7.572 -15.574 437 HA ASN 65 HA ASN 65 -8.711 7.248 -17.873 438 HB2 ASN 65 2HB ASN 65 -8.228 6.747 -14.921 439 HB3 ASN 65 1HB ASN 65 -7.067 6.397 -16.187 440 HD21 ASN 65 1HD2 ASN 65 -5.588 7.777 -15.160 441 HD22 ASN 65 2HD2 ASN 65 -5.764 9.493 -15.220 442 H GLY 66 H GLY 66 -11.272 5.877 -17.052 443 HA2 GLY 66 2HA GLY 66 -12.077 3.772 -17.454 444 HA3 GLY 66 1HA GLY 66 -10.429 3.251 -17.778 445 H TYR 67 H TYR 67 -10.881 4.870 -14.753 446 HA TYR 67 HA TYR 67 -10.141 2.530 -13.376 447 HB2 TYR 67 2HB TYR 67 -11.167 5.135 -12.241 448 HB3 TYR 67 1HB TYR 67 -10.602 3.791 -11.248 449 HD1 TYR 67 HD1 TYR 67 -9.628 6.816 -12.386 450 HD2 TYR 67 HD2 TYR 67 -8.245 2.814 -12.337 451 HE1 TYR 67 HE1 TYR 67 -7.311 7.603 -12.685 452 HE2 TYR 67 HE2 TYR 67 -5.938 3.580 -12.617 453 HH TYR 67 HH TYR 67 -4.994 6.770 -12.229 454 H ARG 68 H ARG 68 -11.490 1.812 -11.387 455 HA ARG 68 HA ARG 68 -13.925 0.988 -12.866 456 HB2 ARG 68 2HB ARG 68 -12.268 -1.175 -11.583 457 HB3 ARG 68 1HB ARG 68 -13.499 -1.337 -12.812 458 HG2 ARG 68 2HG ARG 68 -11.575 -1.724 -14.024 459 HG3 ARG 68 1HG ARG 68 -11.790 0.014 -14.283 460 HD2 ARG 68 2HD ARG 68 -10.404 0.247 -12.128 461 HD3 ARG 68 1HD ARG 68 -9.909 -1.407 -12.454 462 HE ARG 68 HE ARG 68 -9.442 -0.024 -14.782 463 HH11 ARG 68 1HH1 ARG 68 -8.384 0.204 -11.392 464 HH12 ARG 68 2HH1 ARG 68 -6.881 0.899 -11.769 465 HH21 ARG 68 1HH2 ARG 68 -7.252 1.011 -15.260 466 HH22 ARG 68 2HH2 ARG 68 -6.247 1.316 -13.914 467 H LEU 69 H LEU 69 -15.306 2.000 -11.403 468 HA LEU 69 HA LEU 69 -15.897 0.244 -9.265 469 HB2 LEU 69 2HB LEU 69 -15.837 1.942 -7.452 470 HB3 LEU 69 1HB LEU 69 -14.271 1.441 -8.035 471 HG LEU 69 HG LEU 69 -14.259 3.606 -9.390 472 HD11 LEU 69 1HD1 LEU 69 -16.605 4.177 -9.246 473 HD12 LEU 69 2HD1 LEU 69 -15.613 5.441 -8.517 474 HD13 LEU 69 3HD1 LEU 69 -16.488 4.302 -7.492 475 HD21 LEU 69 1HD2 LEU 69 -14.193 3.659 -6.388 476 HD22 LEU 69 2HD2 LEU 69 -13.523 4.902 -7.441 477 HD23 LEU 69 3HD2 LEU 69 -12.864 3.268 -7.478 478 H THR 70 H THR 70 -17.768 0.928 -8.045 479 HA THR 70 HA THR 70 -19.534 2.542 -9.709 480 HB THR 70 HB THR 70 -21.394 1.053 -8.770 481 HG1 THR 70 1HG THR 70 -19.099 -0.306 -7.883 482 HG21 THR 70 1HG2 THR 70 -21.041 -0.732 -10.430 483 HG22 THR 70 2HG2 THR 70 -19.356 -0.238 -10.595 484 HG23 THR 70 3HG2 THR 70 -20.647 0.853 -11.095 485 H LEU 71 H LEU 71 -20.944 3.896 -8.572 486 HA LEU 71 HA LEU 71 -19.804 5.096 -6.337 487 HB2 LEU 71 2HB LEU 71 -21.328 6.116 -8.043 488 HB3 LEU 71 1HB LEU 71 -22.580 5.247 -7.156 489 HG LEU 71 HG LEU 71 -22.289 6.529 -5.205 490 HD11 LEU 71 1HD1 LEU 71 -20.687 8.398 -5.191 491 HD12 LEU 71 2HD1 LEU 71 -20.067 7.747 -6.737 492 HD13 LEU 71 3HD1 LEU 71 -19.971 6.780 -5.275 493 HD21 LEU 71 1HD2 LEU 71 -23.752 7.451 -6.916 494 HD22 LEU 71 2HD2 LEU 71 -22.374 8.293 -7.632 495 HD23 LEU 71 3HD2 LEU 71 -22.931 8.730 -6.016 496 H ARG 72 H ARG 72 -22.169 2.584 -6.539 497 HA ARG 72 HA ARG 72 -23.476 2.697 -4.062 498 HB2 ARG 72 2HB ARG 72 -23.855 0.282 -4.331 499 HB3 ARG 72 1HB ARG 72 -24.026 1.068 -5.901 500 HG2 ARG 72 2HG ARG 72 -21.794 0.398 -6.524 501 HG3 ARG 72 1HG ARG 72 -21.537 -0.244 -4.913 502 HD2 ARG 72 2HD ARG 72 -23.254 -1.959 -5.367 503 HD3 ARG 72 1HD ARG 72 -23.381 -1.341 -7.026 504 HE ARG 72 HE ARG 72 -20.821 -1.642 -6.912 505 HH11 ARG 72 1HH1 ARG 72 -23.301 -3.986 -6.042 506 HH12 ARG 72 2HH1 ARG 72 -22.251 -5.327 -5.957 507 HH21 ARG 72 1HH2 ARG 72 -19.309 -3.415 -6.674 508 HH22 ARG 72 2HH2 ARG 72 -19.869 -4.985 -6.360 509 H GLU 73 H GLU 73 -20.235 1.948 -4.883 510 HA GLU 73 HA GLU 73 -19.635 0.372 -2.496 511 HB2 GLU 73 2HB GLU 73 -17.786 1.276 -4.728 512 HB3 GLU 73 1HB GLU 73 -17.441 0.033 -3.523 513 HG2 GLU 73 2HG GLU 73 -19.194 -1.350 -4.372 514 HG3 GLU 73 1HG GLU 73 -19.677 -0.077 -5.502 515 H LEU 74 H LEU 74 -19.478 3.562 -3.635 516 HA LEU 74 HA LEU 74 -17.389 4.400 -1.843 517 HB2 LEU 74 2HB LEU 74 -19.200 6.138 -3.516 518 HB3 LEU 74 1HB LEU 74 -17.654 6.580 -2.841 519 HG LEU 74 HG LEU 74 -18.178 4.723 -5.157 520 HD11 LEU 74 1HD1 LEU 74 -18.113 7.066 -5.756 521 HD12 LEU 74 2HD1 LEU 74 -16.698 6.227 -6.379 522 HD13 LEU 74 3HD1 LEU 74 -16.559 7.236 -4.946 523 HD21 LEU 74 1HD2 LEU 74 -16.475 3.665 -3.797 524 HD22 LEU 74 2HD2 LEU 74 -15.548 5.166 -3.759 525 HD23 LEU 74 3HD2 LEU 74 -15.776 4.306 -5.283 526 H TYR 75 H TYR 75 -20.832 4.281 -2.004 527 HA TYR 75 HA TYR 75 -21.330 5.819 0.372 528 HB2 TYR 75 2HB TYR 75 -22.990 3.893 -1.241 529 HB3 TYR 75 1HB TYR 75 -23.544 4.496 0.312 530 HD1 TYR 75 HD1 TYR 75 -24.300 6.762 0.546 531 HD2 TYR 75 HD2 TYR 75 -22.916 5.320 -3.205 532 HE1 TYR 75 HE1 TYR 75 -25.380 8.658 -0.565 533 HE2 TYR 75 HE2 TYR 75 -23.999 7.229 -4.332 534 HH TYR 75 HH TYR 75 -25.338 9.884 -2.574 535 H ALA 76 H ALA 76 -21.002 2.401 -0.476 536 HA ALA 76 HA ALA 76 -21.704 1.258 1.973 537 HB1 ALA 76 1HB ALA 76 -19.784 0.173 -0.087 538 HB2 ALA 76 2HB ALA 76 -21.538 -0.009 -0.125 539 HB3 ALA 76 3HB ALA 76 -20.601 -0.760 1.168 540 H ALA 77 H ALA 77 -18.502 2.124 0.724 541 HA ALA 77 HA ALA 77 -17.633 2.215 3.507 542 HB1 ALA 77 1HB ALA 77 -15.971 1.290 1.152 543 HB2 ALA 77 2HB ALA 77 -16.605 0.255 2.431 544 HB3 ALA 77 3HB ALA 77 -15.393 1.480 2.807 545 HA PRO 78 HA PRO 78 -17.034 6.161 1.470 546 HB2 PRO 78 2HB PRO 78 -18.024 7.755 3.391 547 HB3 PRO 78 1HB PRO 78 -19.066 6.877 2.245 548 HG2 PRO 78 2HG PRO 78 -18.612 6.356 5.099 549 HG3 PRO 78 1HG PRO 78 -19.992 5.929 4.072 550 HD2 PRO 78 2HD PRO 78 -17.860 4.227 4.872 551 HD3 PRO 78 1HD PRO 78 -19.176 3.860 3.740 552 H THR 79 H THR 79 -14.836 5.705 1.729 553 HA THR 79 HA THR 79 -13.497 7.558 3.488 554 HB THR 79 HB THR 79 -11.708 5.717 3.766 555 HG1 THR 79 1HG THR 79 -13.979 4.095 3.255 556 HG21 THR 79 1HG2 THR 79 -14.279 5.411 5.317 557 HG22 THR 79 2HG2 THR 79 -13.008 6.595 5.626 558 HG23 THR 79 3HG2 THR 79 -12.668 4.876 5.839 559 H LEU 80 H LEU 80 -11.684 8.292 2.422 560 HA LEU 80 HA LEU 80 -11.604 8.330 -0.316 561 HB2 LEU 80 2HB LEU 80 -9.403 8.460 1.612 562 HB3 LEU 80 1HB LEU 80 -9.291 8.908 -0.089 563 HG LEU 80 HG LEU 80 -11.233 10.256 1.773 564 HD11 LEU 80 1HD1 LEU 80 -9.094 10.538 2.726 565 HD12 LEU 80 2HD1 LEU 80 -9.493 12.019 1.821 566 HD13 LEU 80 3HD1 LEU 80 -8.395 10.808 1.134 567 HD21 LEU 80 1HD2 LEU 80 -11.141 11.998 0.134 568 HD22 LEU 80 2HD2 LEU 80 -11.520 10.481 -0.701 569 HD23 LEU 80 3HD2 LEU 80 -9.903 11.150 -0.778 570 H ALA 81 H ALA 81 -9.769 6.399 1.958 571 HA ALA 81 HA ALA 81 -8.106 4.902 0.380 572 HB1 ALA 81 1HB ALA 81 -8.089 4.816 2.837 573 HB2 ALA 81 2HB ALA 81 -8.068 3.208 2.113 574 HB3 ALA 81 3HB ALA 81 -9.561 3.847 2.798 575 H ALA 82 H ALA 82 -11.527 4.156 1.082 576 HA ALA 82 HA ALA 82 -11.502 1.674 -0.249 577 HB1 ALA 82 1HB ALA 82 -13.932 1.864 -0.344 578 HB2 ALA 82 2HB ALA 82 -13.824 3.545 0.183 579 HB3 ALA 82 3HB ALA 82 -13.314 2.243 1.265 580 H TRP 83 H TRP 83 -12.492 4.893 -1.352 581 HA TRP 83 HA TRP 83 -13.308 4.139 -3.960 582 HB2 TRP 83 2HB TRP 83 -12.082 6.903 -3.422 583 HB3 TRP 83 1HB TRP 83 -13.281 6.375 -4.583 584 HD1 TRP 83 HD1 TRP 83 -14.126 5.380 -1.074 585 HE1 TRP 83 HE1 TRP 83 -16.123 6.810 -0.326 586 HE3 TRP 83 HE3 TRP 83 -14.094 8.820 -4.824 587 HZ2 TRP 83 HZ2 TRP 83 -17.463 9.127 -1.205 588 HZ3 TRP 83 HZ3 TRP 83 -15.720 10.596 -4.793 589 HH2 TRP 83 HH2 TRP 83 -17.363 10.768 -3.042 590 H ASN 84 H ASN 84 -10.278 5.046 -2.575 591 HA ASN 84 HA ASN 84 -8.745 5.211 -4.952 592 HB2 ASN 84 2HB ASN 84 -8.087 6.358 -2.909 593 HB3 ASN 84 1HB ASN 84 -7.910 4.817 -2.079 594 HD21 ASN 84 1HD2 ASN 84 -6.049 3.604 -2.406 595 HD22 ASN 84 2HD2 ASN 84 -4.743 4.208 -3.365 596 H GLN 85 H GLN 85 -9.032 2.691 -2.436 597 HA GLN 85 HA GLN 85 -7.203 1.007 -3.803 598 HB2 GLN 85 2HB GLN 85 -9.040 0.320 -1.507 599 HB3 GLN 85 1HB GLN 85 -7.767 -0.724 -2.127 600 HG2 GLN 85 2HG GLN 85 -7.394 1.992 -0.875 601 HG3 GLN 85 1HG GLN 85 -7.038 0.443 -0.123 602 HE21 GLN 85 1HE2 GLN 85 -5.829 -0.727 -2.507 603 HE22 GLN 85 2HE2 GLN 85 -4.305 0.076 -2.686 604 H LEU 86 H LEU 86 -10.572 1.502 -4.112 605 HA LEU 86 HA LEU 86 -11.228 -0.923 -5.322 606 HB2 LEU 86 2HB LEU 86 -12.377 1.826 -5.711 607 HB3 LEU 86 1HB LEU 86 -13.040 0.396 -6.483 608 HG LEU 86 HG LEU 86 -12.809 0.770 -3.489 609 HD11 LEU 86 1HD1 LEU 86 -15.164 1.094 -3.470 610 HD12 LEU 86 2HD1 LEU 86 -15.235 0.898 -5.224 611 HD13 LEU 86 3HD1 LEU 86 -14.406 2.303 -4.514 612 HD21 LEU 86 1HD2 LEU 86 -14.299 -1.158 -3.368 613 HD22 LEU 86 2HD2 LEU 86 -12.768 -1.582 -4.128 614 HD23 LEU 86 3HD2 LEU 86 -14.217 -1.343 -5.116 615 H MET 87 H MET 87 -9.247 1.661 -6.419 616 HA MET 87 HA MET 87 -9.295 0.957 -9.214 617 HB2 MET 87 2HB MET 87 -7.236 2.537 -7.617 618 HB3 MET 87 1HB MET 87 -7.208 2.351 -9.357 619 HG2 MET 87 2HG MET 87 -9.325 3.600 -9.504 620 HG3 MET 87 1HG MET 87 -9.322 3.788 -7.751 621 HE1 MET 87 HE1 MET 87 -9.525 6.114 -9.913 622 HE2 MET 87 HE2 MET 87 -8.501 7.436 -9.272 623 HE3 MET 87 HE3 MET 87 -9.574 6.561 -8.214 624 H LEU 88 H LEU 88 -6.832 0.683 -6.674 625 HA LEU 88 HA LEU 88 -5.075 -1.028 -8.050 626 HB2 LEU 88 2HB LEU 88 -5.309 -0.702 -5.057 627 HB3 LEU 88 1HB LEU 88 -3.992 -1.495 -5.877 628 HG LEU 88 HG LEU 88 -3.128 0.564 -5.288 629 HD11 LEU 88 1HD1 LEU 88 -4.042 0.923 -8.099 630 HD12 LEU 88 2HD1 LEU 88 -2.603 0.072 -7.538 631 HD13 LEU 88 3HD1 LEU 88 -2.747 1.813 -7.301 632 HD21 LEU 88 1HD2 LEU 88 -4.227 2.719 -5.585 633 HD22 LEU 88 2HD2 LEU 88 -5.188 1.649 -4.567 634 HD23 LEU 88 3HD2 LEU 88 -5.646 1.916 -6.250 635 H SER 89 H SER 89 -7.830 -1.873 -6.040 636 HA SER 89 HA SER 89 -6.952 -4.582 -5.706 637 HB2 SER 89 2HB SER 89 -8.293 -3.465 -3.968 638 HB3 SER 89 1HB SER 89 -9.637 -3.318 -5.094 639 HG SER 89 HG SER 89 -9.111 -5.808 -5.171 640 H ARG 90 H ARG 90 -8.245 -3.006 -8.328 641 HA ARG 90 HA ARG 90 -9.488 -5.494 -9.224 642 HB2 ARG 90 2HB ARG 90 -10.222 -2.663 -9.905 643 HB3 ARG 90 1HB ARG 90 -10.859 -4.068 -10.772 644 HG2 ARG 90 2HG ARG 90 -11.740 -4.980 -8.727 645 HG3 ARG 90 1HG ARG 90 -11.052 -3.650 -7.811 646 HD2 ARG 90 2HD ARG 90 -12.530 -2.106 -8.900 647 HD3 ARG 90 1HD ARG 90 -13.150 -3.415 -9.930 648 HE ARG 90 HE ARG 90 -13.503 -4.424 -7.530 649 HH11 ARG 90 1HH1 ARG 90 -14.441 -1.160 -8.636 650 HH12 ARG 90 2HH1 ARG 90 -15.849 -1.139 -7.649 651 HH21 ARG 90 1HH2 ARG 90 -15.417 -4.296 -6.199 652 HH22 ARG 90 2HH2 ARG 90 -16.408 -2.916 -6.318 653 H SER 91 H SER 91 -6.857 -3.736 -9.479 654 HA SER 91 HA SER 91 -5.677 -5.185 -11.488 655 HB2 SER 91 2HB SER 91 -5.309 -3.248 -13.106 656 HB3 SER 91 1HB SER 91 -6.951 -3.896 -13.110 657 HG SER 91 HG SER 91 -6.172 -1.726 -11.497 658 HA PRO 92 HA PRO 92 -2.811 -3.279 -8.582 659 HB2 PRO 92 2HB PRO 92 -0.731 -4.774 -10.036 660 HB3 PRO 92 1HB PRO 92 -1.209 -4.915 -8.333 661 HG2 PRO 92 2HG PRO 92 -1.743 -6.849 -10.088 662 HG3 PRO 92 1HG PRO 92 -2.835 -6.457 -8.745 663 HD2 PRO 92 2HD PRO 92 -3.088 -5.744 -11.631 664 HD3 PRO 92 1HD PRO 92 -4.330 -6.245 -10.460 665 H GLU 93 H GLU 93 -2.301 -1.231 -8.999 666 HA GLU 93 HA GLU 93 -0.711 -0.605 -11.374 667 HB2 GLU 93 2HB GLU 93 -2.832 1.232 -10.217 668 HB3 GLU 93 1HB GLU 93 -1.908 1.335 -11.711 669 HG2 GLU 93 2HG GLU 93 -3.173 -0.331 -12.757 670 HG3 GLU 93 1HG GLU 93 -3.961 -0.782 -11.242 Start of MODEL 2 1 H ASP 14 1H ASP 14 1.847 0.769 -4.824 2 HA ASP 14 HA ASP 14 3.889 1.535 -6.763 3 HB2 ASP 14 2HB ASP 14 2.663 -0.047 -8.201 4 HB3 ASP 14 1HB ASP 14 3.171 -0.871 -6.725 5 H ASN 15 H ASN 15 0.369 1.480 -5.967 6 HA ASN 15 HA ASN 15 -1.347 2.828 -6.457 7 HB2 ASN 15 2HB ASN 15 -0.984 5.272 -5.941 8 HB3 ASN 15 1HB ASN 15 -0.441 4.166 -4.692 9 HD21 ASN 15 1HD2 ASN 15 0.517 6.478 -7.099 10 HD22 ASN 15 2HD2 ASN 15 2.151 6.643 -6.566 11 H ARG 16 H ARG 16 -0.179 1.933 -8.799 12 HA ARG 16 HA ARG 16 0.418 3.932 -10.611 13 HB2 ARG 16 2HB ARG 16 0.197 2.399 -12.446 14 HB3 ARG 16 1HB ARG 16 0.949 1.581 -11.094 15 HG2 ARG 16 2HG ARG 16 -1.925 1.440 -11.675 16 HG3 ARG 16 1HG ARG 16 -0.790 0.320 -12.459 17 HD2 ARG 16 2HD ARG 16 -0.119 -0.447 -10.190 18 HD3 ARG 16 1HD ARG 16 -1.297 0.653 -9.488 19 HE ARG 16 HE ARG 16 -2.650 -0.977 -11.306 20 HH11 ARG 16 1HH1 ARG 16 -0.907 -1.469 -8.238 21 HH12 ARG 16 2HH1 ARG 16 -1.897 -2.737 -7.717 22 HH21 ARG 16 1HH2 ARG 16 -4.056 -2.738 -10.550 23 HH22 ARG 16 2HH2 ARG 16 -3.748 -3.443 -9.055 24 H HIS 17 H HIS 17 -2.789 2.551 -10.106 25 HA HIS 17 HA HIS 17 -3.990 4.344 -12.025 26 HB2 HIS 17 2HB HIS 17 -5.241 2.603 -9.898 27 HB3 HIS 17 1HB HIS 17 -6.179 3.487 -11.080 28 HD1 HIS 17 HD1 HIS 17 -6.206 2.445 -13.543 29 HD2 HIS 17 HD2 HIS 17 -4.014 0.329 -10.725 30 HE1 HIS 17 HE1 HIS 17 -5.699 0.215 -14.576 31 H ALA 18 H ALA 18 -3.549 4.182 -8.608 32 HA ALA 18 HA ALA 18 -5.351 6.189 -7.877 33 HB1 ALA 18 1HB ALA 18 -4.701 4.419 -6.381 34 HB2 ALA 18 2HB ALA 18 -4.456 6.008 -5.648 35 HB3 ALA 18 3HB ALA 18 -3.071 5.084 -6.259 36 H ALA 19 H ALA 19 -2.276 6.468 -9.207 37 HA ALA 19 HA ALA 19 -1.335 8.879 -8.204 38 HB1 ALA 19 1HB ALA 19 -0.112 7.491 -9.834 39 HB2 ALA 19 2HB ALA 19 -0.213 9.175 -10.351 40 HB3 ALA 19 3HB ALA 19 -1.265 7.963 -11.082 41 H ASP 20 H ASP 20 -3.932 8.356 -10.601 42 HA ASP 20 HA ASP 20 -4.280 11.189 -10.982 43 HB2 ASP 20 2HB ASP 20 -4.903 9.580 -12.775 44 HB3 ASP 20 1HB ASP 20 -6.145 8.911 -11.732 45 H TYR 21 H TYR 21 -5.423 8.784 -8.819 46 HA TYR 21 HA TYR 21 -7.699 10.135 -7.756 47 HB2 TYR 21 2HB TYR 21 -7.216 7.710 -7.307 48 HB3 TYR 21 1HB TYR 21 -5.884 8.210 -6.273 49 HD1 TYR 21 HD1 TYR 21 -6.309 9.019 -4.001 50 HD2 TYR 21 HD2 TYR 21 -9.548 8.199 -6.642 51 HE1 TYR 21 HE1 TYR 21 -7.872 9.181 -2.144 52 HE2 TYR 21 HE2 TYR 21 -11.104 8.378 -4.774 53 HH TYR 21 HH TYR 21 -11.058 8.166 -2.279 54 H GLN 22 H GLN 22 -4.324 10.609 -7.367 55 HA GLN 22 HA GLN 22 -4.328 12.044 -4.956 56 HB2 GLN 22 2HB GLN 22 -2.257 11.315 -6.079 57 HB3 GLN 22 1HB GLN 22 -2.567 12.444 -7.387 58 HG2 GLN 22 2HG GLN 22 -2.342 14.312 -5.835 59 HG3 GLN 22 1HG GLN 22 -2.055 13.169 -4.522 60 HE21 GLN 22 1HE2 GLN 22 -0.017 14.083 -4.115 61 HE22 GLN 22 2HE2 GLN 22 1.319 13.787 -5.180 62 H GLN 23 H GLN 23 -5.065 12.964 -8.244 63 HA GLN 23 HA GLN 23 -5.428 15.750 -7.905 64 HB2 GLN 23 2HB GLN 23 -5.257 14.719 -10.093 65 HB3 GLN 23 1HB GLN 23 -6.700 13.771 -9.795 66 HG2 GLN 23 2HG GLN 23 -7.912 16.008 -9.602 67 HG3 GLN 23 1HG GLN 23 -6.460 16.716 -10.303 68 HE21 GLN 23 1HE2 GLN 23 -6.045 14.209 -11.922 69 HE22 GLN 23 2HE2 GLN 23 -7.141 14.310 -13.195 70 H LEU 24 H LEU 24 -7.618 12.981 -7.635 71 HA LEU 24 HA LEU 24 -9.898 14.534 -6.990 72 HB2 LEU 24 2HB LEU 24 -10.284 12.341 -7.856 73 HB3 LEU 24 1HB LEU 24 -9.393 11.497 -6.639 74 HG LEU 24 HG LEU 24 -12.002 12.988 -6.149 75 HD11 LEU 24 1HD1 LEU 24 -11.492 10.073 -6.680 76 HD12 LEU 24 2HD1 LEU 24 -12.292 11.204 -7.772 77 HD13 LEU 24 3HD1 LEU 24 -13.038 10.790 -6.231 78 HD21 LEU 24 1HD2 LEU 24 -12.150 11.588 -4.161 79 HD22 LEU 24 2HD2 LEU 24 -10.689 12.573 -4.116 80 HD23 LEU 24 3HD2 LEU 24 -10.588 10.864 -4.535 81 H ARG 25 H ARG 25 -7.425 13.023 -5.082 82 HA ARG 25 HA ARG 25 -8.478 13.395 -2.503 83 HB2 ARG 25 2HB ARG 25 -6.321 12.142 -3.314 84 HB3 ARG 25 1HB ARG 25 -5.545 13.702 -3.062 85 HG2 ARG 25 2HG ARG 25 -5.224 12.672 -0.986 86 HG3 ARG 25 1HG ARG 25 -6.742 13.545 -0.723 87 HD2 ARG 25 2HD ARG 25 -7.234 11.530 0.066 88 HD3 ARG 25 1HD ARG 25 -7.850 11.490 -1.589 89 HE ARG 25 HE ARG 25 -6.129 10.042 -2.215 90 HH11 ARG 25 1HH1 ARG 25 -5.808 10.926 1.189 91 HH12 ARG 25 2HH1 ARG 25 -5.159 9.431 1.654 92 HH21 ARG 25 1HH2 ARG 25 -5.204 7.871 -1.492 93 HH22 ARG 25 2HH2 ARG 25 -4.896 7.726 0.189 94 H GLU 26 H GLU 26 -6.290 15.375 -4.460 95 HA GLU 26 HA GLU 26 -5.749 17.586 -2.984 96 HB2 GLU 26 2HB GLU 26 -4.812 17.084 -5.155 97 HB3 GLU 26 1HB GLU 26 -6.384 17.205 -5.909 98 HG2 GLU 26 2HG GLU 26 -6.383 19.623 -5.287 99 HG3 GLU 26 1HG GLU 26 -4.697 19.414 -4.793 100 H ARG 27 H ARG 27 -8.505 16.952 -5.050 101 HA ARG 27 HA ARG 27 -9.584 19.512 -4.467 102 HB2 ARG 27 2HB ARG 27 -10.509 17.359 -6.328 103 HB3 ARG 27 1HB ARG 27 -11.268 18.965 -6.209 104 HG2 ARG 27 2HG ARG 27 -9.258 20.052 -6.794 105 HG3 ARG 27 1HG ARG 27 -8.335 18.576 -6.620 106 HD2 ARG 27 2HD ARG 27 -9.630 17.705 -8.601 107 HD3 ARG 27 1HD ARG 27 -10.208 19.370 -8.830 108 HE ARG 27 HE ARG 27 -7.424 19.306 -8.370 109 HH11 ARG 27 1HH1 ARG 27 -9.671 18.754 -11.027 110 HH12 ARG 27 2HH1 ARG 27 -8.490 19.035 -12.226 111 HH21 ARG 27 1HH2 ARG 27 -5.949 19.655 -9.785 112 HH22 ARG 27 2HH2 ARG 27 -6.173 19.616 -11.490 113 H LEU 28 H LEU 28 -10.109 16.381 -3.192 114 HA LEU 28 HA LEU 28 -12.617 17.046 -2.016 115 HB2 LEU 28 2HB LEU 28 -10.546 14.978 -1.313 116 HB3 LEU 28 1HB LEU 28 -11.927 15.257 -0.278 117 HG LEU 28 HG LEU 28 -12.025 14.350 -3.152 118 HD11 LEU 28 1HD1 LEU 28 -12.639 12.955 -0.561 119 HD12 LEU 28 2HD1 LEU 28 -11.252 12.641 -1.605 120 HD13 LEU 28 3HD1 LEU 28 -12.885 12.288 -2.172 121 HD21 LEU 28 1HD2 LEU 28 -14.212 14.884 -1.147 122 HD22 LEU 28 2HD2 LEU 28 -14.429 14.028 -2.668 123 HD23 LEU 28 3HD2 LEU 28 -13.957 15.722 -2.681 124 H ILE 29 H ILE 29 -9.295 17.443 -1.058 125 HA ILE 29 HA ILE 29 -9.742 18.536 1.507 126 HB ILE 29 HB ILE 29 -7.478 19.158 -0.449 127 HG12 ILE 29 2HG1 ILE 29 -7.634 17.106 1.762 128 HG13 ILE 29 1HG1 ILE 29 -7.683 16.759 0.039 129 HG21 ILE 29 1HG2 ILE 29 -6.177 19.825 1.505 130 HG22 ILE 29 2HG2 ILE 29 -7.528 19.453 2.556 131 HG23 ILE 29 3HG2 ILE 29 -7.651 20.801 1.411 132 HD11 ILE 29 1HD1 ILE 29 -5.508 16.274 0.995 133 HD12 ILE 29 2HD1 ILE 29 -5.367 17.936 1.557 134 HD13 ILE 29 3HD1 ILE 29 -5.387 17.591 -0.177 135 H GLN 30 H GLN 30 -9.569 19.865 -1.699 136 HA GLN 30 HA GLN 30 -9.915 22.593 -1.196 137 HB2 GLN 30 2HB GLN 30 -9.252 21.726 -3.365 138 HB3 GLN 30 1HB GLN 30 -10.799 20.911 -3.526 139 HG2 GLN 30 2HG GLN 30 -11.869 23.194 -3.431 140 HG3 GLN 30 1HG GLN 30 -10.244 23.856 -3.622 141 HE21 GLN 30 1HE2 GLN 30 -12.789 22.047 -5.119 142 HE22 GLN 30 2HE2 GLN 30 -12.171 22.163 -6.732 143 H GLU 31 H GLU 31 -12.422 20.182 -2.171 144 HA GLU 31 HA GLU 31 -14.597 21.907 -2.243 145 HB2 GLU 31 2HB GLU 31 -14.560 18.988 -1.619 146 HB3 GLU 31 1HB GLU 31 -16.012 19.911 -1.927 147 HG2 GLU 31 2HG GLU 31 -15.077 20.410 -4.197 148 HG3 GLU 31 1HG GLU 31 -13.807 19.227 -3.837 149 H LEU 32 H LEU 32 -13.764 19.681 0.477 150 HA LEU 32 HA LEU 32 -15.842 21.073 1.951 151 HB2 LEU 32 2HB LEU 32 -14.336 18.551 2.476 152 HB3 LEU 32 1HB LEU 32 -15.545 19.217 3.564 153 HG LEU 32 HG LEU 32 -16.051 18.377 0.720 154 HD11 LEU 32 1HD1 LEU 32 -17.206 16.468 1.799 155 HD12 LEU 32 2HD1 LEU 32 -16.451 16.934 3.327 156 HD13 LEU 32 3HD1 LEU 32 -15.460 16.453 1.942 157 HD21 LEU 32 1HD2 LEU 32 -17.914 19.114 2.977 158 HD22 LEU 32 2HD2 LEU 32 -18.404 18.486 1.406 159 HD23 LEU 32 3HD2 LEU 32 -17.621 20.061 1.516 160 H ASN 33 H ASN 33 -12.787 21.765 1.465 161 HA ASN 33 HA ASN 33 -11.084 22.803 2.562 162 HB2 ASN 33 2HB ASN 33 -13.093 24.389 2.935 163 HB3 ASN 33 1HB ASN 33 -13.192 23.715 4.555 164 HD21 ASN 33 1HD2 ASN 33 -11.326 25.663 2.380 165 HD22 ASN 33 2HD2 ASN 33 -10.318 26.395 3.592 166 H LEU 34 H LEU 34 -11.153 20.270 3.064 167 HA LEU 34 HA LEU 34 -11.340 19.616 5.872 168 HB2 LEU 34 2HB LEU 34 -10.296 17.952 3.561 169 HB3 LEU 34 1HB LEU 34 -10.682 17.362 5.167 170 HG LEU 34 HG LEU 34 -12.676 18.656 3.405 171 HD11 LEU 34 1HD1 LEU 34 -13.499 16.400 2.701 172 HD12 LEU 34 2HD1 LEU 34 -12.289 15.657 3.720 173 HD13 LEU 34 3HD1 LEU 34 -11.791 16.559 2.290 174 HD21 LEU 34 1HD2 LEU 34 -12.975 16.891 5.809 175 HD22 LEU 34 2HD2 LEU 34 -14.310 17.455 4.805 176 HD23 LEU 34 3HD2 LEU 34 -13.325 18.618 5.692 177 H THR 35 H THR 35 -9.709 19.701 7.263 178 HA THR 35 HA THR 35 -7.181 20.739 6.536 179 HB THR 35 HB THR 35 -7.948 19.260 9.076 180 HG1 THR 35 1HG THR 35 -8.972 21.613 8.005 181 HG21 THR 35 1HG2 THR 35 -6.163 21.656 8.569 182 HG22 THR 35 2HG2 THR 35 -5.607 20.014 8.900 183 HG23 THR 35 3HG2 THR 35 -6.474 20.919 10.140 184 HA PRO 36 HA PRO 36 -5.384 16.811 5.153 185 HB2 PRO 36 2HB PRO 36 -2.959 17.670 6.681 186 HB3 PRO 36 1HB PRO 36 -3.082 17.138 4.989 187 HG2 PRO 36 2HG PRO 36 -2.755 19.687 5.520 188 HG3 PRO 36 1HG PRO 36 -3.871 19.166 4.241 189 HD2 PRO 36 2HD PRO 36 -4.498 20.196 6.966 190 HD3 PRO 36 1HD PRO 36 -5.355 20.444 5.430 191 H GLN 37 H GLN 37 -4.992 17.782 8.505 192 HA GLN 37 HA GLN 37 -4.478 15.218 9.553 193 HB2 GLN 37 2HB GLN 37 -5.660 17.656 10.910 194 HB3 GLN 37 1HB GLN 37 -5.225 16.186 11.756 195 HG2 GLN 37 2HG GLN 37 -3.417 17.575 12.166 196 HG3 GLN 37 1HG GLN 37 -2.854 16.604 10.818 197 HE21 GLN 37 1HE2 GLN 37 -1.959 19.186 11.755 198 HE22 GLN 37 2HE2 GLN 37 -2.124 20.279 10.427 199 H GLN 38 H GLN 38 -7.425 16.759 8.507 200 HA GLN 38 HA GLN 38 -9.110 14.816 9.814 201 HB2 GLN 38 2HB GLN 38 -9.889 17.184 9.612 202 HB3 GLN 38 1HB GLN 38 -9.754 17.060 7.864 203 HG2 GLN 38 2HG GLN 38 -11.438 15.595 7.671 204 HG3 GLN 38 1HG GLN 38 -11.516 15.220 9.408 205 HE21 GLN 38 1HE2 GLN 38 -13.714 16.052 7.776 206 HE22 GLN 38 2HE2 GLN 38 -14.224 17.596 8.359 207 H LEU 39 H LEU 39 -7.799 15.714 6.721 208 HA LEU 39 HA LEU 39 -9.337 13.684 5.402 209 HB2 LEU 39 2HB LEU 39 -8.992 16.071 4.539 210 HB3 LEU 39 1HB LEU 39 -7.365 15.599 4.135 211 HG LEU 39 HG LEU 39 -9.197 15.684 2.355 212 HD11 LEU 39 1HD1 LEU 39 -7.326 13.325 2.613 213 HD12 LEU 39 2HD1 LEU 39 -6.990 14.864 1.821 214 HD13 LEU 39 3HD1 LEU 39 -8.169 13.750 1.127 215 HD21 LEU 39 1HD2 LEU 39 -9.765 12.951 3.487 216 HD22 LEU 39 2HD2 LEU 39 -10.426 13.605 1.992 217 HD23 LEU 39 3HD2 LEU 39 -10.835 14.344 3.540 218 H HIS 40 H HIS 40 -8.196 12.319 6.849 219 HA HIS 40 HA HIS 40 -5.653 11.170 5.924 220 HB2 HIS 40 2HB HIS 40 -6.062 11.489 8.376 221 HB3 HIS 40 1HB HIS 40 -7.506 10.506 8.263 222 HD1 HIS 40 HD1 HIS 40 -6.792 8.562 9.874 223 HD2 HIS 40 HD2 HIS 40 -3.965 9.433 6.905 224 HE1 HIS 40 HE1 HIS 40 -5.075 6.779 9.991 225 H GLU 41 H GLU 41 -5.726 8.701 5.473 226 HA GLU 41 HA GLU 41 -7.487 7.928 3.483 227 HB2 GLU 41 2HB GLU 41 -6.318 5.956 5.469 228 HB3 GLU 41 1HB GLU 41 -6.744 5.655 3.798 229 HG2 GLU 41 2HG GLU 41 -4.429 7.249 4.841 230 HG3 GLU 41 1HG GLU 41 -4.392 5.732 3.944 231 H GLU 42 H GLU 42 -7.858 7.822 6.827 232 HA GLU 42 HA GLU 42 -9.955 5.927 7.215 233 HB2 GLU 42 2HB GLU 42 -8.184 6.180 8.713 234 HB3 GLU 42 1HB GLU 42 -8.367 7.910 8.759 235 HG2 GLU 42 2HG GLU 42 -10.503 7.547 9.993 236 HG3 GLU 42 1HG GLU 42 -10.061 5.831 10.084 237 H SER 43 H SER 43 -9.955 9.225 6.226 238 HA SER 43 HA SER 43 -12.037 10.237 7.828 239 HB2 SER 43 2HB SER 43 -12.184 12.056 6.107 240 HB3 SER 43 1HB SER 43 -10.568 11.793 6.756 241 HG SER 43 HG SER 43 -9.960 10.826 4.890 242 H ASN 44 H ASN 44 -14.066 9.696 7.874 243 HA ASN 44 HA ASN 44 -15.370 8.350 5.718 244 HB2 ASN 44 2HB ASN 44 -16.059 7.952 8.083 245 HB3 ASN 44 1HB ASN 44 -16.613 9.616 8.188 246 HD21 ASN 44 1HD2 ASN 44 -18.045 7.061 8.517 247 HD22 ASN 44 2HD2 ASN 44 -19.374 7.126 7.411 248 H LEU 45 H LEU 45 -15.693 9.341 3.994 249 HA LEU 45 HA LEU 45 -15.785 12.146 3.752 250 HB2 LEU 45 2HB LEU 45 -16.087 9.936 1.789 251 HB3 LEU 45 1HB LEU 45 -16.251 11.619 1.335 252 HG LEU 45 HG LEU 45 -13.734 10.471 2.593 253 HD11 LEU 45 1HD1 LEU 45 -14.383 11.029 -0.268 254 HD12 LEU 45 2HD1 LEU 45 -14.154 9.444 0.480 255 HD13 LEU 45 3HD1 LEU 45 -12.806 10.582 0.389 256 HD21 LEU 45 1HD2 LEU 45 -12.745 12.594 1.808 257 HD22 LEU 45 2HD2 LEU 45 -14.041 12.917 2.944 258 HD23 LEU 45 3HD2 LEU 45 -14.312 13.141 1.230 259 H ILE 46 H ILE 46 -18.375 9.868 4.083 260 HA ILE 46 HA ILE 46 -20.316 11.607 2.856 261 HB ILE 46 HB ILE 46 -20.726 9.266 4.753 262 HG12 ILE 46 2HG1 ILE 46 -19.794 8.600 2.600 263 HG13 ILE 46 1HG1 ILE 46 -21.441 8.007 2.767 264 HG21 ILE 46 1HG2 ILE 46 -22.815 10.768 3.179 265 HG22 ILE 46 2HG2 ILE 46 -22.623 10.769 4.931 266 HG23 ILE 46 3HG2 ILE 46 -23.093 9.287 4.099 267 HD11 ILE 46 1HD1 ILE 46 -20.484 10.330 1.113 268 HD12 ILE 46 2HD1 ILE 46 -22.180 9.876 1.334 269 HD13 ILE 46 3HD1 ILE 46 -21.069 8.761 0.538 270 H GLN 47 H GLN 47 -19.126 10.970 6.046 271 HA GLN 47 HA GLN 47 -20.922 12.792 7.357 272 HB2 GLN 47 2HB GLN 47 -18.374 11.532 8.392 273 HB3 GLN 47 1HB GLN 47 -19.541 12.411 9.364 274 HG2 GLN 47 2HG GLN 47 -19.976 9.790 7.946 275 HG3 GLN 47 1HG GLN 47 -19.827 10.044 9.682 276 HE21 GLN 47 1HE2 GLN 47 -21.560 11.020 10.793 277 HE22 GLN 47 2HE2 GLN 47 -23.137 11.082 10.076 278 H ALA 48 H ALA 48 -17.971 13.001 5.710 279 HA ALA 48 HA ALA 48 -17.119 15.494 6.827 280 HB1 ALA 48 1HB ALA 48 -15.521 13.957 5.742 281 HB2 ALA 48 2HB ALA 48 -15.510 15.549 4.985 282 HB3 ALA 48 3HB ALA 48 -16.344 14.209 4.202 283 H GLY 49 H GLY 49 -19.254 14.440 4.325 284 HA2 GLY 49 2HA GLY 49 -21.086 15.912 3.938 285 HA3 GLY 49 1HA GLY 49 -19.957 17.262 3.884 286 H LEU 50 H LEU 50 -19.649 14.129 2.213 287 HA LEU 50 HA LEU 50 -19.680 15.560 -0.350 288 HB2 LEU 50 2HB LEU 50 -19.336 12.619 0.180 289 HB3 LEU 50 1HB LEU 50 -19.140 13.430 -1.353 290 HG LEU 50 HG LEU 50 -17.322 13.571 1.048 291 HD11 LEU 50 1HD1 LEU 50 -16.981 12.816 -1.793 292 HD12 LEU 50 2HD1 LEU 50 -17.180 11.672 -0.462 293 HD13 LEU 50 3HD1 LEU 50 -15.732 12.718 -0.547 294 HD21 LEU 50 1HD2 LEU 50 -17.625 15.813 -0.086 295 HD22 LEU 50 2HD2 LEU 50 -16.910 15.055 -1.528 296 HD23 LEU 50 3HD2 LEU 50 -15.999 15.165 -0.009 297 H ASP 51 H ASP 51 -21.634 16.150 -0.868 298 HA ASP 51 HA ASP 51 -23.981 14.650 -0.329 299 HB2 ASP 51 2HB ASP 51 -25.078 16.217 -1.895 300 HB3 ASP 51 1HB ASP 51 -24.080 17.077 -0.723 301 H SER 52 H SER 52 -25.342 13.708 -2.022 302 HA SER 52 HA SER 52 -23.842 11.823 -3.380 303 HB2 SER 52 2HB SER 52 -26.754 12.395 -3.759 304 HB3 SER 52 1HB SER 52 -25.787 10.938 -4.125 305 HG SER 52 HG SER 52 -25.776 10.371 -2.162 306 H ILE 53 H ILE 53 -24.741 15.008 -4.512 307 HA ILE 53 HA ILE 53 -24.758 14.091 -7.245 308 HB ILE 53 HB ILE 53 -24.430 16.953 -6.305 309 HG12 ILE 53 2HG1 ILE 53 -26.647 16.066 -5.653 310 HG13 ILE 53 1HG1 ILE 53 -26.810 17.250 -6.941 311 HG21 ILE 53 1HG2 ILE 53 -24.810 17.570 -8.657 312 HG22 ILE 53 2HG2 ILE 53 -25.156 15.891 -9.050 313 HG23 ILE 53 3HG2 ILE 53 -23.533 16.330 -8.632 314 HD11 ILE 53 1HD1 ILE 53 -28.296 15.368 -7.294 315 HD12 ILE 53 2HD1 ILE 53 -26.936 14.252 -7.246 316 HD13 ILE 53 3HD1 ILE 53 -27.071 15.419 -8.562 317 H ARG 54 H ARG 54 -22.604 15.856 -5.076 318 HA ARG 54 HA ARG 54 -20.475 15.914 -6.916 319 HB2 ARG 54 2HB ARG 54 -20.694 16.271 -3.963 320 HB3 ARG 54 1HB ARG 54 -19.123 16.263 -4.758 321 HG2 ARG 54 2HG ARG 54 -19.644 18.176 -6.038 322 HG3 ARG 54 1HG ARG 54 -21.357 18.072 -5.628 323 HD2 ARG 54 2HD ARG 54 -20.029 19.834 -4.420 324 HD3 ARG 54 1HD ARG 54 -20.962 18.733 -3.409 325 HE ARG 54 HE ARG 54 -18.087 18.421 -3.926 326 HH11 ARG 54 1HH1 ARG 54 -20.882 18.292 -1.740 327 HH12 ARG 54 2HH1 ARG 54 -19.987 17.966 -0.319 328 HH21 ARG 54 1HH2 ARG 54 -16.868 17.840 -2.097 329 HH22 ARG 54 2HH2 ARG 54 -17.563 17.712 -0.529 330 H LEU 55 H LEU 55 -21.487 13.640 -4.501 331 HA LEU 55 HA LEU 55 -19.369 11.847 -4.510 332 HB2 LEU 55 2HB LEU 55 -21.771 11.846 -3.224 333 HB3 LEU 55 1HB LEU 55 -22.199 10.942 -4.609 334 HG LEU 55 HG LEU 55 -20.772 9.123 -4.113 335 HD11 LEU 55 1HD1 LEU 55 -19.346 9.097 -2.164 336 HD12 LEU 55 2HD1 LEU 55 -19.731 10.790 -1.826 337 HD13 LEU 55 3HD1 LEU 55 -18.818 10.369 -3.272 338 HD21 LEU 55 1HD2 LEU 55 -21.627 8.452 -1.959 339 HD22 LEU 55 2HD2 LEU 55 -22.881 9.240 -2.918 340 HD23 LEU 55 3HD2 LEU 55 -22.080 10.116 -1.610 341 H MET 56 H MET 56 -22.171 12.132 -6.635 342 HA MET 56 HA MET 56 -21.319 9.995 -8.352 343 HB2 MET 56 2HB MET 56 -23.688 10.442 -7.929 344 HB3 MET 56 1HB MET 56 -23.534 12.009 -8.705 345 HG2 MET 56 2HG MET 56 -23.007 10.922 -10.822 346 HG3 MET 56 1HG MET 56 -23.128 9.343 -10.047 347 HE1 MET 56 HE1 MET 56 -25.299 8.324 -9.094 348 HE2 MET 56 HE2 MET 56 -26.883 9.100 -9.122 349 HE3 MET 56 HE3 MET 56 -25.606 9.732 -8.082 350 H ARG 57 H ARG 57 -20.785 13.399 -8.181 351 HA ARG 57 HA ARG 57 -20.320 13.817 -10.842 352 HB2 ARG 57 2HB ARG 57 -19.077 15.263 -8.493 353 HB3 ARG 57 1HB ARG 57 -18.748 15.727 -10.147 354 HG2 ARG 57 2HG ARG 57 -21.382 15.853 -8.690 355 HG3 ARG 57 1HG ARG 57 -20.418 17.207 -9.284 356 HD2 ARG 57 2HD ARG 57 -22.163 17.020 -10.836 357 HD3 ARG 57 1HD ARG 57 -20.838 16.157 -11.617 358 HE ARG 57 HE ARG 57 -22.698 14.620 -10.005 359 HH11 ARG 57 1HH1 ARG 57 -21.655 15.520 -13.278 360 HH12 ARG 57 2HH1 ARG 57 -22.467 14.231 -14.045 361 HH21 ARG 57 1HH2 ARG 57 -23.886 12.850 -11.116 362 HH22 ARG 57 2HH2 ARG 57 -23.726 12.680 -12.786 363 H TRP 58 H TRP 58 -18.373 12.814 -8.103 364 HA TRP 58 HA TRP 58 -15.879 12.495 -9.279 365 HB2 TRP 58 2HB TRP 58 -17.131 11.170 -6.880 366 HB3 TRP 58 1HB TRP 58 -15.478 10.849 -7.379 367 HD1 TRP 58 HD1 TRP 58 -17.136 12.830 -4.855 368 HE1 TRP 58 HE1 TRP 58 -15.788 14.866 -4.193 369 HE3 TRP 58 HE3 TRP 58 -13.901 12.997 -8.852 370 HZ2 TRP 58 HZ2 TRP 58 -13.561 16.373 -5.222 371 HZ3 TRP 58 HZ3 TRP 58 -12.222 14.775 -8.916 372 HH2 TRP 58 HH2 TRP 58 -12.069 16.427 -7.145 373 H LEU 59 H LEU 59 -18.657 10.398 -9.225 374 HA LEU 59 HA LEU 59 -17.484 7.992 -10.015 375 HB2 LEU 59 2HB LEU 59 -19.844 8.185 -9.321 376 HB3 LEU 59 1HB LEU 59 -20.193 9.071 -10.791 377 HG LEU 59 HG LEU 59 -19.636 7.090 -12.111 378 HD11 LEU 59 1HD1 LEU 59 -19.416 5.711 -9.436 379 HD12 LEU 59 2HD1 LEU 59 -18.112 5.965 -10.597 380 HD13 LEU 59 3HD1 LEU 59 -19.457 4.903 -11.001 381 HD21 LEU 59 1HD2 LEU 59 -21.942 7.544 -11.552 382 HD22 LEU 59 2HD2 LEU 59 -21.767 6.703 -10.015 383 HD23 LEU 59 3HD2 LEU 59 -21.657 5.804 -11.530 384 H HIS 60 H HIS 60 -18.628 10.693 -11.984 385 HA HIS 60 HA HIS 60 -18.004 9.504 -14.500 386 HB2 HIS 60 2HB HIS 60 -18.278 12.433 -13.762 387 HB3 HIS 60 1HB HIS 60 -18.095 11.844 -15.406 388 HD1 HIS 60 HD1 HIS 60 -20.222 10.909 -16.553 389 HD2 HIS 60 HD2 HIS 60 -20.769 11.960 -12.576 390 HE1 HIS 60 HE1 HIS 60 -22.713 10.938 -16.177 391 H TRP 61 H TRP 61 -16.281 11.465 -12.224 392 HA TRP 61 HA TRP 61 -14.000 12.027 -13.761 393 HB2 TRP 61 2HB TRP 61 -14.602 13.268 -11.706 394 HB3 TRP 61 1HB TRP 61 -14.325 11.817 -10.754 395 HD1 TRP 61 HD1 TRP 61 -12.528 14.753 -12.307 396 HE1 TRP 61 HE1 TRP 61 -10.030 14.656 -11.675 397 HE3 TRP 61 HE3 TRP 61 -12.404 10.102 -10.212 398 HZ2 TRP 61 HZ2 TRP 61 -8.287 12.854 -10.460 399 HZ3 TRP 61 HZ3 TRP 61 -10.276 9.266 -9.342 400 HH2 TRP 61 HH2 TRP 61 -8.260 10.623 -9.476 401 H PHE 62 H PHE 62 -14.843 9.319 -11.670 402 HA PHE 62 HA PHE 62 -12.316 8.027 -11.831 403 HB2 PHE 62 2HB PHE 62 -15.056 7.032 -11.133 404 HB3 PHE 62 1HB PHE 62 -13.698 5.932 -11.270 405 HD1 PHE 62 HD1 PHE 62 -15.470 8.174 -9.165 406 HD2 PHE 62 HD2 PHE 62 -11.692 6.383 -9.832 407 HE1 PHE 62 HE1 PHE 62 -14.874 8.590 -6.825 408 HE2 PHE 62 HE2 PHE 62 -11.093 6.792 -7.465 409 HZ PHE 62 HZ PHE 62 -12.659 7.883 -5.991 410 H ARG 63 H ARG 63 -15.366 7.375 -13.440 411 HA ARG 63 HA ARG 63 -14.367 5.209 -14.943 412 HB2 ARG 63 2HB ARG 63 -16.854 6.847 -15.515 413 HB3 ARG 63 1HB ARG 63 -16.468 5.215 -16.069 414 HG2 ARG 63 2HG ARG 63 -16.499 5.549 -13.158 415 HG3 ARG 63 1HG ARG 63 -18.049 5.771 -13.952 416 HD2 ARG 63 2HD ARG 63 -17.828 3.476 -13.262 417 HD3 ARG 63 1HD ARG 63 -17.782 3.552 -15.014 418 HE ARG 63 HE ARG 63 -15.150 3.548 -14.025 419 HH11 ARG 63 1HH1 ARG 63 -17.944 1.331 -14.174 420 HH12 ARG 63 2HH1 ARG 63 -16.981 -0.077 -14.224 421 HH21 ARG 63 1HH2 ARG 63 -13.869 1.569 -14.119 422 HH22 ARG 63 2HH2 ARG 63 -14.682 0.057 -14.205 423 H LYS 64 H LYS 64 -14.065 8.610 -15.458 424 HA LYS 64 HA LYS 64 -14.013 8.889 -18.238 425 HB2 LYS 64 2HB LYS 64 -12.780 10.918 -17.963 426 HB3 LYS 64 1HB LYS 64 -13.777 10.784 -16.524 427 HG2 LYS 64 2HG LYS 64 -11.882 10.026 -15.230 428 HG3 LYS 64 1HG LYS 64 -10.879 9.975 -16.669 429 HD2 LYS 64 2HD LYS 64 -11.189 12.457 -16.861 430 HD3 LYS 64 1HD LYS 64 -12.009 12.413 -15.295 431 HE2 LYS 64 2HE LYS 64 -9.236 11.365 -15.792 432 HE3 LYS 64 1HE LYS 64 -9.560 12.984 -15.163 433 HZ1 LYS 64 1HZ LYS 64 -10.487 10.496 -13.794 434 HZ2 LYS 64 2HZ LYS 64 -10.380 12.043 -13.135 435 HZ3 LYS 64 3HZ LYS 64 -8.997 11.177 -13.471 436 H ASN 65 H ASN 65 -11.492 7.685 -16.101 437 HA ASN 65 HA ASN 65 -9.781 7.199 -18.459 438 HB2 ASN 65 2HB ASN 65 -8.921 8.873 -16.712 439 HB3 ASN 65 1HB ASN 65 -8.815 7.519 -15.596 440 HD21 ASN 65 1HD2 ASN 65 -6.521 7.820 -15.393 441 HD22 ASN 65 2HD2 ASN 65 -5.487 7.357 -16.695 442 H GLY 66 H GLY 66 -11.943 5.682 -17.249 443 HA2 GLY 66 2HA GLY 66 -12.437 3.463 -17.033 444 HA3 GLY 66 1HA GLY 66 -10.765 3.122 -17.437 445 H TYR 67 H TYR 67 -11.517 5.118 -14.629 446 HA TYR 67 HA TYR 67 -10.224 3.170 -13.029 447 HB2 TYR 67 2HB TYR 67 -11.585 5.724 -12.198 448 HB3 TYR 67 1HB TYR 67 -10.787 4.631 -11.057 449 HD1 TYR 67 HD1 TYR 67 -10.299 7.472 -12.937 450 HD2 TYR 67 HD2 TYR 67 -8.427 3.819 -11.930 451 HE1 TYR 67 HE1 TYR 67 -8.111 8.414 -13.575 452 HE2 TYR 67 HE2 TYR 67 -6.263 4.720 -12.530 453 HH TYR 67 HH TYR 67 -5.306 6.431 -13.892 454 H ARG 68 H ARG 68 -10.993 2.069 -11.298 455 HA ARG 68 HA ARG 68 -13.422 0.806 -12.327 456 HB2 ARG 68 2HB ARG 68 -11.116 -0.343 -12.178 457 HB3 ARG 68 1HB ARG 68 -11.466 -0.470 -10.475 458 HG2 ARG 68 2HG ARG 68 -13.078 -1.614 -12.719 459 HG3 ARG 68 1HG ARG 68 -11.916 -2.498 -11.741 460 HD2 ARG 68 2HD ARG 68 -13.672 -3.039 -10.449 461 HD3 ARG 68 1HD ARG 68 -13.535 -1.343 -9.932 462 HE ARG 68 HE ARG 68 -15.072 -1.685 -12.302 463 HH11 ARG 68 1HH1 ARG 68 -15.326 -1.663 -8.779 464 HH12 ARG 68 2HH1 ARG 68 -17.003 -1.374 -8.697 465 HH21 ARG 68 1HH2 ARG 68 -17.363 -1.399 -12.283 466 HH22 ARG 68 2HH2 ARG 68 -18.233 -1.182 -10.813 467 H LEU 69 H LEU 69 -14.932 2.103 -11.150 468 HA LEU 69 HA LEU 69 -15.703 0.591 -8.980 469 HB2 LEU 69 2HB LEU 69 -15.827 2.317 -7.211 470 HB3 LEU 69 1HB LEU 69 -14.205 1.809 -7.598 471 HG LEU 69 HG LEU 69 -14.155 3.954 -9.047 472 HD11 LEU 69 1HD1 LEU 69 -15.504 5.780 -8.159 473 HD12 LEU 69 2HD1 LEU 69 -16.377 4.635 -7.139 474 HD13 LEU 69 3HD1 LEU 69 -16.496 4.520 -8.894 475 HD21 LEU 69 1HD2 LEU 69 -13.434 5.226 -7.021 476 HD22 LEU 69 2HD2 LEU 69 -12.719 3.635 -7.219 477 HD23 LEU 69 3HD2 LEU 69 -14.004 3.863 -6.045 478 H THR 70 H THR 70 -17.783 0.849 -8.376 479 HA THR 70 HA THR 70 -19.283 2.673 -10.053 480 HB THR 70 HB THR 70 -20.562 0.632 -8.267 481 HG1 THR 70 1HG THR 70 -19.146 -0.653 -8.989 482 HG21 THR 70 1HG2 THR 70 -21.035 1.438 -11.149 483 HG22 THR 70 2HG2 THR 70 -21.906 2.070 -9.753 484 HG23 THR 70 3HG2 THR 70 -22.067 0.372 -10.198 485 H LEU 71 H LEU 71 -21.172 3.582 -8.590 486 HA LEU 71 HA LEU 71 -19.753 4.912 -6.507 487 HB2 LEU 71 2HB LEU 71 -21.579 5.795 -8.140 488 HB3 LEU 71 1HB LEU 71 -22.562 5.071 -6.858 489 HG LEU 71 HG LEU 71 -21.832 6.560 -5.205 490 HD11 LEU 71 1HD1 LEU 71 -19.557 6.639 -5.724 491 HD12 LEU 71 2HD1 LEU 71 -20.105 8.330 -5.840 492 HD13 LEU 71 3HD1 LEU 71 -19.885 7.326 -7.290 493 HD21 LEU 71 1HD2 LEU 71 -23.556 7.445 -6.706 494 HD22 LEU 71 2HD2 LEU 71 -22.295 8.112 -7.743 495 HD23 LEU 71 3HD2 LEU 71 -22.501 8.725 -6.099 496 H ARG 72 H ARG 72 -21.936 2.272 -6.653 497 HA ARG 72 HA ARG 72 -23.130 2.515 -4.124 498 HB2 ARG 72 2HB ARG 72 -24.099 0.972 -5.758 499 HB3 ARG 72 1HB ARG 72 -22.622 0.028 -5.777 500 HG2 ARG 72 2HG ARG 72 -24.433 -1.055 -4.511 501 HG3 ARG 72 1HG ARG 72 -22.999 -0.734 -3.530 502 HD2 ARG 72 2HD ARG 72 -24.045 1.348 -2.799 503 HD3 ARG 72 1HD ARG 72 -25.515 0.875 -3.651 504 HE ARG 72 HE ARG 72 -25.781 -0.916 -2.113 505 HH11 ARG 72 1HH1 ARG 72 -23.035 1.139 -1.217 506 HH12 ARG 72 2HH1 ARG 72 -23.224 1.005 0.454 507 HH21 ARG 72 1HH2 ARG 72 -26.032 -1.213 0.280 508 HH22 ARG 72 2HH2 ARG 72 -24.960 -0.413 1.329 509 H GLU 73 H GLU 73 -20.116 1.451 -5.157 510 HA GLU 73 HA GLU 73 -19.320 0.028 -2.790 511 HB2 GLU 73 2HB GLU 73 -17.603 1.271 -4.948 512 HB3 GLU 73 1HB GLU 73 -16.996 0.243 -3.660 513 HG2 GLU 73 2HG GLU 73 -17.198 -1.306 -5.292 514 HG3 GLU 73 1HG GLU 73 -18.813 -1.331 -4.542 515 H LEU 74 H LEU 74 -18.925 3.137 -3.989 516 HA LEU 74 HA LEU 74 -17.373 4.203 -1.824 517 HB2 LEU 74 2HB LEU 74 -19.172 5.837 -3.618 518 HB3 LEU 74 1HB LEU 74 -17.834 6.432 -2.660 519 HG LEU 74 HG LEU 74 -17.750 4.810 -5.183 520 HD11 LEU 74 1HD1 LEU 74 -16.397 7.372 -4.405 521 HD12 LEU 74 2HD1 LEU 74 -17.841 7.265 -5.386 522 HD13 LEU 74 3HD1 LEU 74 -16.321 6.593 -5.978 523 HD21 LEU 74 1HD2 LEU 74 -16.195 3.719 -3.694 524 HD22 LEU 74 2HD2 LEU 74 -15.483 5.275 -3.262 525 HD23 LEU 74 3HD2 LEU 74 -15.317 4.660 -4.904 526 H TYR 75 H TYR 75 -20.761 3.811 -2.306 527 HA TYR 75 HA TYR 75 -21.509 5.178 0.151 528 HB2 TYR 75 2HB TYR 75 -23.018 3.440 -1.766 529 HB3 TYR 75 1HB TYR 75 -23.691 3.917 -0.204 530 HD1 TYR 75 HD1 TYR 75 -23.037 4.846 -3.635 531 HD2 TYR 75 HD2 TYR 75 -24.269 6.276 0.169 532 HE1 TYR 75 HE1 TYR 75 -24.086 6.782 -4.709 533 HE2 TYR 75 HE2 TYR 75 -25.312 8.228 -0.889 534 HH TYR 75 HH TYR 75 -25.869 8.391 -4.218 535 H ALA 76 H ALA 76 -19.997 2.280 -0.453 536 HA ALA 76 HA ALA 76 -21.350 0.852 1.716 537 HB1 ALA 76 1HB ALA 76 -20.030 -1.103 1.023 538 HB2 ALA 76 2HB ALA 76 -19.194 -0.115 -0.176 539 HB3 ALA 76 3HB ALA 76 -20.922 -0.429 -0.342 540 H ALA 77 H ALA 77 -18.134 1.846 0.689 541 HA ALA 77 HA ALA 77 -17.463 2.116 3.515 542 HB1 ALA 77 1HB ALA 77 -16.268 0.169 2.605 543 HB2 ALA 77 2HB ALA 77 -15.145 1.475 2.985 544 HB3 ALA 77 3HB ALA 77 -15.612 1.174 1.312 545 HA PRO 78 HA PRO 78 -16.856 6.012 1.360 546 HB2 PRO 78 2HB PRO 78 -18.095 7.536 3.314 547 HB3 PRO 78 1HB PRO 78 -18.882 6.875 1.864 548 HG2 PRO 78 2HG PRO 78 -19.387 6.148 4.556 549 HG3 PRO 78 1HG PRO 78 -20.073 5.433 3.088 550 HD2 PRO 78 2HD PRO 78 -17.876 4.444 4.784 551 HD3 PRO 78 1HD PRO 78 -18.949 3.564 3.676 552 H THR 79 H THR 79 -14.652 5.692 1.860 553 HA THR 79 HA THR 79 -13.625 7.672 3.686 554 HB THR 79 HB THR 79 -11.796 5.969 4.295 555 HG1 THR 79 1HG THR 79 -13.775 4.024 3.809 556 HG21 THR 79 1HG2 THR 79 -13.043 5.020 6.208 557 HG22 THR 79 2HG2 THR 79 -14.558 5.499 5.427 558 HG23 THR 79 3HG2 THR 79 -13.417 6.730 5.958 559 H LEU 80 H LEU 80 -11.558 8.360 2.874 560 HA LEU 80 HA LEU 80 -11.185 8.479 0.170 561 HB2 LEU 80 2HB LEU 80 -9.144 8.359 2.289 562 HB3 LEU 80 1HB LEU 80 -8.812 8.717 0.601 563 HG LEU 80 HG LEU 80 -10.587 10.400 2.366 564 HD11 LEU 80 1HD1 LEU 80 -8.592 11.891 2.234 565 HD12 LEU 80 2HD1 LEU 80 -7.709 10.496 1.589 566 HD13 LEU 80 3HD1 LEU 80 -8.390 10.437 3.219 567 HD21 LEU 80 1HD2 LEU 80 -10.418 12.013 0.609 568 HD22 LEU 80 2HD2 LEU 80 -10.891 10.499 -0.182 569 HD23 LEU 80 3HD2 LEU 80 -9.225 11.057 -0.231 570 H ALA 81 H ALA 81 -9.714 6.357 2.496 571 HA ALA 81 HA ALA 81 -7.899 4.855 1.144 572 HB1 ALA 81 1HB ALA 81 -9.800 3.702 3.165 573 HB2 ALA 81 2HB ALA 81 -8.417 4.694 3.575 574 HB3 ALA 81 3HB ALA 81 -8.175 3.129 2.787 575 H ALA 82 H ALA 82 -11.368 4.197 1.326 576 HA ALA 82 HA ALA 82 -11.213 1.776 -0.077 577 HB1 ALA 82 1HB ALA 82 -13.626 1.906 -0.266 578 HB2 ALA 82 2HB ALA 82 -13.586 3.596 0.235 579 HB3 ALA 82 3HB ALA 82 -13.101 2.330 1.363 580 H TRP 83 H TRP 83 -12.135 5.042 -1.193 581 HA TRP 83 HA TRP 83 -12.743 4.224 -3.867 582 HB2 TRP 83 2HB TRP 83 -11.701 7.067 -3.393 583 HB3 TRP 83 1HB TRP 83 -12.905 6.452 -4.499 584 HD1 TRP 83 HD1 TRP 83 -13.733 5.553 -0.960 585 HE1 TRP 83 HE1 TRP 83 -15.704 7.024 -0.238 586 HE3 TRP 83 HE3 TRP 83 -13.636 8.935 -4.763 587 HZ2 TRP 83 HZ2 TRP 83 -17.018 9.365 -1.155 588 HZ3 TRP 83 HZ3 TRP 83 -15.243 10.762 -4.758 589 HH2 TRP 83 HH2 TRP 83 -16.889 10.979 -2.997 590 H ASN 84 H ASN 84 -9.889 5.246 -2.220 591 HA ASN 84 HA ASN 84 -8.076 5.609 -4.360 592 HB2 ASN 84 2HB ASN 84 -7.753 6.458 -2.052 593 HB3 ASN 84 1HB ASN 84 -7.563 4.811 -1.483 594 HD21 ASN 84 1HD2 ASN 84 -5.621 3.734 -1.909 595 HD22 ASN 84 2HD2 ASN 84 -4.215 4.588 -2.439 596 H GLN 85 H GLN 85 -8.626 2.846 -2.160 597 HA GLN 85 HA GLN 85 -6.723 1.135 -3.498 598 HB2 GLN 85 2HB GLN 85 -8.879 0.458 -1.499 599 HB3 GLN 85 1HB GLN 85 -7.616 -0.632 -2.046 600 HG2 GLN 85 2HG GLN 85 -5.926 0.867 -1.069 601 HG3 GLN 85 1HG GLN 85 -7.236 1.919 -0.520 602 HE21 GLN 85 1HE2 GLN 85 -6.659 1.669 1.634 603 HE22 GLN 85 2HE2 GLN 85 -6.978 0.188 2.478 604 H LEU 86 H LEU 86 -10.168 1.689 -3.812 605 HA LEU 86 HA LEU 86 -10.816 -0.622 -5.187 606 HB2 LEU 86 2HB LEU 86 -11.963 2.131 -5.424 607 HB3 LEU 86 1HB LEU 86 -12.616 0.751 -6.286 608 HG LEU 86 HG LEU 86 -12.422 0.996 -3.284 609 HD11 LEU 86 1HD1 LEU 86 -14.830 1.170 -3.360 610 HD12 LEU 86 2HD1 LEU 86 -14.753 1.158 -5.132 611 HD13 LEU 86 3HD1 LEU 86 -14.040 2.498 -4.220 612 HD21 LEU 86 1HD2 LEU 86 -12.263 -1.332 -3.979 613 HD22 LEU 86 2HD2 LEU 86 -13.671 -1.134 -5.019 614 HD23 LEU 86 3HD2 LEU 86 -13.844 -1.013 -3.269 615 H MET 87 H MET 87 -9.091 2.151 -6.310 616 HA MET 87 HA MET 87 -9.240 1.493 -9.074 617 HB2 MET 87 2HB MET 87 -7.093 3.049 -7.585 618 HB3 MET 87 1HB MET 87 -7.174 2.878 -9.326 619 HG2 MET 87 2HG MET 87 -9.320 4.060 -9.336 620 HG3 MET 87 1HG MET 87 -9.175 4.293 -7.590 621 HE1 MET 87 HE1 MET 87 -9.415 7.112 -8.263 622 HE2 MET 87 HE2 MET 87 -9.499 6.475 -9.900 623 HE3 MET 87 HE3 MET 87 -8.381 7.800 -9.510 624 H LEU 88 H LEU 88 -6.712 0.910 -6.625 625 HA LEU 88 HA LEU 88 -5.205 -0.732 -8.426 626 HB2 LEU 88 2HB LEU 88 -4.875 -0.400 -5.461 627 HB3 LEU 88 1HB LEU 88 -3.731 -1.275 -6.475 628 HG LEU 88 HG LEU 88 -2.611 0.687 -6.329 629 HD11 LEU 88 1HD1 LEU 88 -4.549 1.491 -8.403 630 HD12 LEU 88 2HD1 LEU 88 -3.100 0.516 -8.618 631 HD13 LEU 88 3HD1 LEU 88 -2.960 2.208 -8.113 632 HD21 LEU 88 1HD2 LEU 88 -5.213 2.157 -5.965 633 HD22 LEU 88 2HD2 LEU 88 -3.584 2.829 -5.791 634 HD23 LEU 88 3HD2 LEU 88 -4.157 1.599 -4.670 635 H SER 89 H SER 89 -7.235 -1.580 -5.645 636 HA SER 89 HA SER 89 -6.542 -4.329 -5.745 637 HB2 SER 89 2HB SER 89 -8.870 -2.958 -4.386 638 HB3 SER 89 1HB SER 89 -8.227 -4.559 -4.004 639 HG SER 89 HG SER 89 -7.342 -3.054 -2.572 640 H ARG 90 H ARG 90 -8.222 -2.611 -7.870 641 HA ARG 90 HA ARG 90 -9.762 -4.942 -8.633 642 HB2 ARG 90 2HB ARG 90 -10.557 -2.071 -8.857 643 HB3 ARG 90 1HB ARG 90 -11.258 -3.304 -9.892 644 HG2 ARG 90 2HG ARG 90 -11.317 -3.472 -6.888 645 HG3 ARG 90 1HG ARG 90 -12.582 -2.687 -7.832 646 HD2 ARG 90 2HD ARG 90 -13.218 -4.982 -7.298 647 HD3 ARG 90 1HD ARG 90 -12.991 -4.791 -9.030 648 HE ARG 90 HE ARG 90 -10.826 -5.877 -7.390 649 HH11 ARG 90 1HH1 ARG 90 -13.212 -6.312 -10.021 650 HH12 ARG 90 2HH1 ARG 90 -12.664 -7.763 -10.550 651 HH21 ARG 90 1HH2 ARG 90 -9.986 -7.967 -8.116 652 HH22 ARG 90 2HH2 ARG 90 -10.743 -8.776 -9.424 653 H SER 91 H SER 91 -8.400 -2.040 -10.055 654 HA SER 91 HA SER 91 -7.816 -1.548 -12.101 655 HB2 SER 91 2HB SER 91 -6.726 -4.392 -12.301 656 HB3 SER 91 1HB SER 91 -6.188 -3.001 -13.252 657 HG SER 91 HG SER 91 -6.241 -2.931 -10.490 658 HA PRO 92 HA PRO 92 -10.885 -3.666 -14.994 659 HB2 PRO 92 2HB PRO 92 -11.380 -6.323 -15.058 660 HB3 PRO 92 1HB PRO 92 -9.991 -5.642 -15.935 661 HG2 PRO 92 2HG PRO 92 -10.040 -7.014 -13.302 662 HG3 PRO 92 1HG PRO 92 -8.897 -7.194 -14.648 663 HD2 PRO 92 2HD PRO 92 -8.358 -5.688 -12.472 664 HD3 PRO 92 1HD PRO 92 -7.708 -5.328 -14.085 665 H GLU 93 H GLU 93 -13.200 -4.481 -14.776 666 HA GLU 93 HA GLU 93 -14.395 -3.600 -12.497 667 HB2 GLU 93 2HB GLU 93 -15.515 -5.620 -14.451 668 HB3 GLU 93 1HB GLU 93 -16.463 -4.734 -13.269 669 HG2 GLU 93 2HG GLU 93 -14.937 -3.537 -15.587 670 HG3 GLU 93 1HG GLU 93 -16.681 -3.749 -15.488 Start of MODEL 3 1 H ASP 14 1H ASP 14 -1.052 0.169 -4.485 2 HA ASP 14 HA ASP 14 -1.691 1.835 -2.153 3 HB2 ASP 14 2HB ASP 14 0.729 2.602 -2.072 4 HB3 ASP 14 1HB ASP 14 0.444 0.950 -1.555 5 H ASN 15 H ASN 15 0.536 2.699 -4.807 6 HA ASN 15 HA ASN 15 -1.453 4.739 -5.546 7 HB2 ASN 15 2HB ASN 15 1.277 5.211 -4.505 8 HB3 ASN 15 1HB ASN 15 0.672 6.284 -5.757 9 HD21 ASN 15 1HD2 ASN 15 0.363 5.266 -2.463 10 HD22 ASN 15 2HD2 ASN 15 -0.727 6.525 -1.985 11 H ARG 16 H ARG 16 -0.211 2.294 -7.109 12 HA ARG 16 HA ARG 16 1.171 3.778 -9.049 13 HB2 ARG 16 2HB ARG 16 1.135 1.910 -10.726 14 HB3 ARG 16 1HB ARG 16 1.877 1.540 -9.189 15 HG2 ARG 16 2HG ARG 16 -0.906 0.898 -9.807 16 HG3 ARG 16 1HG ARG 16 0.402 -0.207 -10.312 17 HD2 ARG 16 2HD ARG 16 -0.374 0.708 -7.574 18 HD3 ARG 16 1HD ARG 16 -0.491 -0.965 -8.165 19 HE ARG 16 HE ARG 16 2.164 -0.123 -8.348 20 HH11 ARG 16 1HH1 ARG 16 -0.182 -1.162 -5.886 21 HH12 ARG 16 2HH1 ARG 16 0.978 -1.179 -4.657 22 HH21 ARG 16 1HH2 ARG 16 3.775 -0.246 -6.497 23 HH22 ARG 16 2HH2 ARG 16 3.086 -0.619 -4.968 24 H HIS 17 H HIS 17 -1.958 2.255 -9.978 25 HA HIS 17 HA HIS 17 -2.298 4.499 -11.738 26 HB2 HIS 17 2HB HIS 17 -4.148 2.207 -11.037 27 HB3 HIS 17 1HB HIS 17 -4.638 3.556 -12.051 28 HD1 HIS 17 HD1 HIS 17 -3.982 3.453 -14.482 29 HD2 HIS 17 HD2 HIS 17 -2.081 0.578 -12.166 30 HE1 HIS 17 HE1 HIS 17 -2.815 1.897 -16.101 31 H ALA 18 H ALA 18 -2.927 3.778 -8.556 32 HA ALA 18 HA ALA 18 -5.148 5.448 -8.112 33 HB1 ALA 18 1HB ALA 18 -3.239 4.262 -6.099 34 HB2 ALA 18 2HB ALA 18 -4.773 3.573 -6.661 35 HB3 ALA 18 3HB ALA 18 -4.767 5.068 -5.745 36 H ALA 19 H ALA 19 -1.836 6.183 -8.496 37 HA ALA 19 HA ALA 19 -1.572 8.513 -7.002 38 HB1 ALA 19 1HB ALA 19 0.053 9.229 -8.694 39 HB2 ALA 19 2HB ALA 19 -0.554 8.002 -9.804 40 HB3 ALA 19 3HB ALA 19 0.262 7.518 -8.317 41 H ASP 20 H ASP 20 -3.392 7.871 -9.906 42 HA ASP 20 HA ASP 20 -4.006 10.534 -10.665 43 HB2 ASP 20 2HB ASP 20 -4.348 8.651 -12.211 44 HB3 ASP 20 1HB ASP 20 -5.531 7.954 -11.112 45 H TYR 21 H TYR 21 -5.374 8.276 -8.356 46 HA TYR 21 HA TYR 21 -7.765 9.663 -7.801 47 HB2 TYR 21 2HB TYR 21 -7.491 7.327 -7.074 48 HB3 TYR 21 1HB TYR 21 -6.180 7.799 -5.998 49 HD1 TYR 21 HD1 TYR 21 -9.771 8.313 -6.648 50 HD2 TYR 21 HD2 TYR 21 -6.644 8.504 -3.790 51 HE1 TYR 21 HE1 TYR 21 -11.402 8.817 -4.911 52 HE2 TYR 21 HE2 TYR 21 -8.277 8.997 -2.022 53 HH TYR 21 HH TYR 21 -11.652 8.687 -2.501 54 H GLN 22 H GLN 22 -4.508 10.057 -6.727 55 HA GLN 22 HA GLN 22 -5.153 11.747 -4.584 56 HB2 GLN 22 2HB GLN 22 -2.644 10.958 -5.922 57 HB3 GLN 22 1HB GLN 22 -2.601 12.504 -5.086 58 HG2 GLN 22 2HG GLN 22 -1.899 10.395 -3.778 59 HG3 GLN 22 1HG GLN 22 -2.978 11.543 -2.997 60 HE21 GLN 22 1HE2 GLN 22 -2.701 8.335 -4.361 61 HE22 GLN 22 2HE2 GLN 22 -4.214 7.756 -3.799 62 H GLN 23 H GLN 23 -4.981 12.295 -7.945 63 HA GLN 23 HA GLN 23 -4.971 15.158 -7.727 64 HB2 GLN 23 2HB GLN 23 -5.381 13.239 -9.999 65 HB3 GLN 23 1HB GLN 23 -5.764 14.945 -10.201 66 HG2 GLN 23 2HG GLN 23 -3.081 13.927 -9.292 67 HG3 GLN 23 1HG GLN 23 -3.482 14.300 -10.972 68 HE21 GLN 23 1HE2 GLN 23 -2.991 15.658 -7.776 69 HE22 GLN 23 2HE2 GLN 23 -2.893 17.295 -8.236 70 H LEU 24 H LEU 24 -7.310 12.651 -7.675 71 HA LEU 24 HA LEU 24 -9.580 14.389 -7.859 72 HB2 LEU 24 2HB LEU 24 -10.052 12.181 -8.409 73 HB3 LEU 24 1HB LEU 24 -9.232 11.423 -7.067 74 HG LEU 24 HG LEU 24 -11.885 12.884 -7.021 75 HD11 LEU 24 1HD1 LEU 24 -12.809 10.619 -6.858 76 HD12 LEU 24 2HD1 LEU 24 -11.191 9.958 -7.092 77 HD13 LEU 24 3HD1 LEU 24 -11.959 10.890 -8.378 78 HD21 LEU 24 1HD2 LEU 24 -10.823 12.843 -4.788 79 HD22 LEU 24 2HD2 LEU 24 -10.600 11.108 -4.918 80 HD23 LEU 24 3HD2 LEU 24 -12.225 11.782 -4.861 81 H ARG 25 H ARG 25 -7.791 12.833 -5.344 82 HA ARG 25 HA ARG 25 -9.134 13.711 -3.105 83 HB2 ARG 25 2HB ARG 25 -7.663 11.918 -2.949 84 HB3 ARG 25 1HB ARG 25 -6.345 12.881 -3.592 85 HG2 ARG 25 2HG ARG 25 -5.898 13.874 -1.610 86 HG3 ARG 25 1HG ARG 25 -7.555 13.695 -1.014 87 HD2 ARG 25 2HD ARG 25 -7.378 11.579 -0.711 88 HD3 ARG 25 1HD ARG 25 -5.865 11.319 -1.607 89 HE ARG 25 HE ARG 25 -5.744 13.034 0.759 90 HH11 ARG 25 1HH1 ARG 25 -5.062 9.758 -0.533 91 HH12 ARG 25 2HH1 ARG 25 -4.177 9.267 0.840 92 HH21 ARG 25 1HH2 ARG 25 -4.373 12.313 2.626 93 HH22 ARG 25 2HH2 ARG 25 -3.753 10.726 2.583 94 H GLU 26 H GLU 26 -6.433 15.304 -4.776 95 HA GLU 26 HA GLU 26 -5.823 17.372 -3.102 96 HB2 GLU 26 2HB GLU 26 -4.839 16.833 -5.348 97 HB3 GLU 26 1HB GLU 26 -6.273 17.518 -6.088 98 HG2 GLU 26 2HG GLU 26 -5.710 19.662 -4.909 99 HG3 GLU 26 1HG GLU 26 -4.157 18.919 -4.506 100 H ARG 27 H ARG 27 -8.405 17.143 -5.470 101 HA ARG 27 HA ARG 27 -9.476 19.655 -4.612 102 HB2 ARG 27 2HB ARG 27 -10.252 17.860 -6.892 103 HB3 ARG 27 1HB ARG 27 -11.009 19.425 -6.562 104 HG2 ARG 27 2HG ARG 27 -9.336 20.500 -7.584 105 HG3 ARG 27 1HG ARG 27 -8.173 19.723 -6.516 106 HD2 ARG 27 2HD ARG 27 -8.512 17.676 -8.142 107 HD3 ARG 27 1HD ARG 27 -9.048 18.941 -9.253 108 HE ARG 27 HE ARG 27 -6.623 19.737 -8.065 109 HH11 ARG 27 1HH1 ARG 27 -7.712 17.364 -10.438 110 HH12 ARG 27 2HH1 ARG 27 -6.140 17.218 -11.135 111 HH21 ARG 27 1HH2 ARG 27 -4.659 19.487 -8.905 112 HH22 ARG 27 2HH2 ARG 27 -4.307 18.424 -10.206 113 H LEU 28 H LEU 28 -10.121 16.312 -3.976 114 HA LEU 28 HA LEU 28 -12.764 16.508 -3.128 115 HB2 LEU 28 2HB LEU 28 -10.966 14.460 -3.261 116 HB3 LEU 28 1HB LEU 28 -10.856 14.710 -1.568 117 HG LEU 28 HG LEU 28 -13.339 14.186 -3.123 118 HD11 LEU 28 1HD1 LEU 28 -11.889 12.441 -1.145 119 HD12 LEU 28 2HD1 LEU 28 -11.894 12.226 -2.890 120 HD13 LEU 28 3HD1 LEU 28 -13.387 12.015 -1.968 121 HD21 LEU 28 1HD2 LEU 28 -13.043 14.478 -0.138 122 HD22 LEU 28 2HD2 LEU 28 -14.496 13.907 -0.956 123 HD23 LEU 28 3HD2 LEU 28 -13.921 15.550 -1.227 124 H ILE 29 H ILE 29 -9.743 17.147 -1.527 125 HA ILE 29 HA ILE 29 -10.831 17.843 0.991 126 HB ILE 29 HB ILE 29 -8.108 18.405 -0.256 127 HG12 ILE 29 2HG1 ILE 29 -9.090 16.363 1.729 128 HG13 ILE 29 1HG1 ILE 29 -8.702 16.059 0.044 129 HG21 ILE 29 1HG2 ILE 29 -8.928 18.730 2.644 130 HG22 ILE 29 2HG2 ILE 29 -8.535 20.048 1.539 131 HG23 ILE 29 3HG2 ILE 29 -7.295 18.882 2.002 132 HD11 ILE 29 1HD1 ILE 29 -6.356 16.482 0.515 133 HD12 ILE 29 2HD1 ILE 29 -7.053 15.254 1.599 134 HD13 ILE 29 3HD1 ILE 29 -6.772 16.889 2.191 135 H GLN 30 H GLN 30 -10.318 19.517 -1.931 136 HA GLN 30 HA GLN 30 -10.679 22.185 -0.974 137 HB2 GLN 30 2HB GLN 30 -9.509 21.766 -3.048 138 HB3 GLN 30 1HB GLN 30 -10.909 20.939 -3.707 139 HG2 GLN 30 2HG GLN 30 -12.148 23.096 -3.593 140 HG3 GLN 30 1HG GLN 30 -10.636 23.874 -3.123 141 HE21 GLN 30 1HE2 GLN 30 -12.340 22.249 -5.688 142 HE22 GLN 30 2HE2 GLN 30 -11.271 22.762 -6.950 143 H GLU 31 H GLU 31 -12.791 19.845 -2.672 144 HA GLU 31 HA GLU 31 -14.946 21.590 -2.839 145 HB2 GLU 31 2HB GLU 31 -14.750 18.658 -3.345 146 HB3 GLU 31 1HB GLU 31 -16.277 19.555 -3.475 147 HG2 GLU 31 2HG GLU 31 -15.318 21.041 -5.125 148 HG3 GLU 31 1HG GLU 31 -13.753 20.269 -4.955 149 H LEU 32 H LEU 32 -14.318 19.343 -0.146 150 HA LEU 32 HA LEU 32 -16.811 20.427 0.943 151 HB2 LEU 32 2HB LEU 32 -14.926 18.359 1.974 152 HB3 LEU 32 1HB LEU 32 -16.204 19.024 2.969 153 HG LEU 32 HG LEU 32 -16.490 17.384 0.467 154 HD11 LEU 32 1HD1 LEU 32 -15.863 16.067 2.391 155 HD12 LEU 32 2HD1 LEU 32 -17.576 15.822 2.063 156 HD13 LEU 32 3HD1 LEU 32 -17.077 16.878 3.378 157 HD21 LEU 32 1HD2 LEU 32 -18.898 17.460 0.950 158 HD22 LEU 32 2HD2 LEU 32 -18.256 19.041 0.541 159 HD23 LEU 32 3HD2 LEU 32 -18.593 18.635 2.227 160 H ASN 33 H ASN 33 -13.761 21.513 0.714 161 HA ASN 33 HA ASN 33 -12.319 22.782 1.869 162 HB2 ASN 33 2HB ASN 33 -14.271 24.390 1.855 163 HB3 ASN 33 1HB ASN 33 -14.771 23.746 3.412 164 HD21 ASN 33 1HD2 ASN 33 -13.495 24.210 5.221 165 HD22 ASN 33 2HD2 ASN 33 -12.383 25.548 5.249 166 H LEU 34 H LEU 34 -11.575 20.782 2.599 167 HA LEU 34 HA LEU 34 -12.115 20.123 5.411 168 HB2 LEU 34 2HB LEU 34 -11.005 18.447 3.156 169 HB3 LEU 34 1HB LEU 34 -11.241 17.902 4.805 170 HG LEU 34 HG LEU 34 -13.521 18.954 3.235 171 HD11 LEU 34 1HD1 LEU 34 -12.529 17.190 1.800 172 HD12 LEU 34 2HD1 LEU 34 -14.027 16.594 2.469 173 HD13 LEU 34 3HD1 LEU 34 -12.492 16.095 3.171 174 HD21 LEU 34 1HD2 LEU 34 -13.876 18.580 5.590 175 HD22 LEU 34 2HD2 LEU 34 -13.318 16.912 5.433 176 HD23 LEU 34 3HD2 LEU 34 -14.812 17.421 4.645 177 H THR 35 H THR 35 -10.249 19.374 6.580 178 HA THR 35 HA THR 35 -7.747 20.523 5.587 179 HB THR 35 HB THR 35 -7.043 20.543 8.025 180 HG1 THR 35 1HG THR 35 -9.763 20.343 8.684 181 HG21 THR 35 1HG2 THR 35 -7.836 22.598 6.954 182 HG22 THR 35 2HG2 THR 35 -8.358 22.537 8.638 183 HG23 THR 35 3HG2 THR 35 -9.499 22.169 7.345 184 HA PRO 36 HA PRO 36 -6.078 16.416 5.380 185 HB2 PRO 36 2HB PRO 36 -3.667 17.283 6.882 186 HB3 PRO 36 1HB PRO 36 -3.782 16.618 5.240 187 HG2 PRO 36 2HG PRO 36 -3.244 19.172 5.584 188 HG3 PRO 36 1HG PRO 36 -4.331 18.637 4.286 189 HD2 PRO 36 2HD PRO 36 -5.026 19.872 6.916 190 HD3 PRO 36 1HD PRO 36 -5.712 20.173 5.304 191 H GLN 37 H GLN 37 -6.323 17.935 8.455 192 HA GLN 37 HA GLN 37 -5.780 15.500 9.954 193 HB2 GLN 37 2HB GLN 37 -6.759 18.201 10.911 194 HB3 GLN 37 1HB GLN 37 -6.319 16.858 11.953 195 HG2 GLN 37 2HG GLN 37 -4.016 16.973 11.082 196 HG3 GLN 37 1HG GLN 37 -4.477 18.368 10.110 197 HE21 GLN 37 1HE2 GLN 37 -4.890 20.349 11.153 198 HE22 GLN 37 2HE2 GLN 37 -4.378 20.601 12.790 199 H GLN 38 H GLN 38 -8.456 17.359 8.750 200 HA GLN 38 HA GLN 38 -10.484 16.005 10.231 201 HB2 GLN 38 2HB GLN 38 -10.713 18.342 9.440 202 HB3 GLN 38 1HB GLN 38 -10.552 17.784 7.789 203 HG2 GLN 38 2HG GLN 38 -12.581 16.573 7.943 204 HG3 GLN 38 1HG GLN 38 -12.778 17.069 9.634 205 HE21 GLN 38 1HE2 GLN 38 -14.730 18.154 9.104 206 HE22 GLN 38 2HE2 GLN 38 -14.696 19.664 8.262 207 H LEU 39 H LEU 39 -9.226 16.068 6.919 208 HA LEU 39 HA LEU 39 -10.765 13.672 6.392 209 HB2 LEU 39 2HB LEU 39 -10.636 15.817 4.845 210 HB3 LEU 39 1HB LEU 39 -9.162 15.058 4.290 211 HG LEU 39 HG LEU 39 -11.982 14.339 3.829 212 HD11 LEU 39 1HD1 LEU 39 -10.896 15.372 2.065 213 HD12 LEU 39 2HD1 LEU 39 -11.066 13.681 1.597 214 HD13 LEU 39 3HD1 LEU 39 -9.514 14.302 2.162 215 HD21 LEU 39 1HD2 LEU 39 -11.450 12.001 3.222 216 HD22 LEU 39 2HD2 LEU 39 -11.320 12.310 4.947 217 HD23 LEU 39 3HD2 LEU 39 -9.860 12.199 3.962 218 H HIS 40 H HIS 40 -9.255 12.627 7.815 219 HA HIS 40 HA HIS 40 -6.642 11.986 6.833 220 HB2 HIS 40 2HB HIS 40 -7.184 11.692 9.233 221 HB3 HIS 40 1HB HIS 40 -8.466 10.566 8.831 222 HD1 HIS 40 HD1 HIS 40 -4.652 10.776 8.712 223 HD2 HIS 40 HD2 HIS 40 -7.729 7.989 8.748 224 HE1 HIS 40 HE1 HIS 40 -3.562 8.501 8.881 225 H GLU 41 H GLU 41 -6.144 9.876 5.737 226 HA GLU 41 HA GLU 41 -8.178 9.539 3.842 227 HB2 GLU 41 2HB GLU 41 -6.641 7.926 2.690 228 HB3 GLU 41 1HB GLU 41 -6.104 9.582 2.866 229 HG2 GLU 41 2HG GLU 41 -4.890 8.644 4.977 230 HG3 GLU 41 1HG GLU 41 -5.065 7.101 4.123 231 H GLU 42 H GLU 42 -7.807 7.903 6.655 232 HA GLU 42 HA GLU 42 -9.650 5.910 5.578 233 HB2 GLU 42 2HB GLU 42 -7.459 5.229 6.787 234 HB3 GLU 42 1HB GLU 42 -8.283 5.699 8.265 235 HG2 GLU 42 2HG GLU 42 -8.490 3.306 7.906 236 HG3 GLU 42 1HG GLU 42 -10.071 4.077 7.753 237 H SER 43 H SER 43 -10.110 8.770 6.375 238 HA SER 43 HA SER 43 -11.927 8.499 8.638 239 HB2 SER 43 2HB SER 43 -10.450 10.522 8.489 240 HB3 SER 43 1HB SER 43 -11.237 10.960 6.978 241 HG SER 43 HG SER 43 -12.107 12.088 8.747 242 H ASN 44 H ASN 44 -14.145 9.118 8.375 243 HA ASN 44 HA ASN 44 -15.200 7.854 6.010 244 HB2 ASN 44 2HB ASN 44 -16.120 7.433 8.300 245 HB3 ASN 44 1HB ASN 44 -16.769 9.070 8.285 246 HD21 ASN 44 1HD2 ASN 44 -17.125 5.855 7.134 247 HD22 ASN 44 2HD2 ASN 44 -18.632 6.094 6.326 248 H LEU 45 H LEU 45 -15.455 8.910 4.272 249 HA LEU 45 HA LEU 45 -15.548 11.721 4.053 250 HB2 LEU 45 2HB LEU 45 -15.839 9.508 2.097 251 HB3 LEU 45 1HB LEU 45 -16.274 11.134 1.623 252 HG LEU 45 HG LEU 45 -13.487 10.338 2.592 253 HD11 LEU 45 1HD1 LEU 45 -14.026 9.274 0.531 254 HD12 LEU 45 2HD1 LEU 45 -12.861 10.585 0.304 255 HD13 LEU 45 3HD1 LEU 45 -14.550 10.815 -0.151 256 HD21 LEU 45 1HD2 LEU 45 -12.895 12.568 1.726 257 HD22 LEU 45 2HD2 LEU 45 -14.052 12.722 3.028 258 HD23 LEU 45 3HD2 LEU 45 -14.575 12.915 1.368 259 H ILE 46 H ILE 46 -18.184 9.450 4.347 260 HA ILE 46 HA ILE 46 -20.133 11.287 3.318 261 HB ILE 46 HB ILE 46 -20.481 8.806 5.036 262 HG12 ILE 46 2HG1 ILE 46 -19.718 8.349 2.760 263 HG13 ILE 46 1HG1 ILE 46 -21.357 7.756 2.997 264 HG21 ILE 46 1HG2 ILE 46 -22.891 8.911 4.571 265 HG22 ILE 46 2HG2 ILE 46 -22.659 10.470 3.779 266 HG23 ILE 46 3HG2 ILE 46 -22.334 10.302 5.504 267 HD11 ILE 46 1HD1 ILE 46 -21.093 8.768 0.813 268 HD12 ILE 46 2HD1 ILE 46 -20.551 10.273 1.549 269 HD13 ILE 46 3HD1 ILE 46 -22.212 9.714 1.791 270 H GLN 47 H GLN 47 -18.904 10.459 6.474 271 HA GLN 47 HA GLN 47 -20.611 12.266 7.901 272 HB2 GLN 47 2HB GLN 47 -18.032 10.951 8.782 273 HB3 GLN 47 1HB GLN 47 -19.136 11.815 9.838 274 HG2 GLN 47 2HG GLN 47 -19.784 9.287 8.322 275 HG3 GLN 47 1HG GLN 47 -19.347 9.375 10.021 276 HE21 GLN 47 1HE2 GLN 47 -21.271 8.444 10.670 277 HE22 GLN 47 2HE2 GLN 47 -22.776 9.304 10.588 278 H ALA 48 H ALA 48 -17.743 12.564 6.121 279 HA ALA 48 HA ALA 48 -16.848 15.024 7.258 280 HB1 ALA 48 1HB ALA 48 -15.323 13.597 5.953 281 HB2 ALA 48 2HB ALA 48 -15.441 15.208 5.246 282 HB3 ALA 48 3HB ALA 48 -16.310 13.861 4.516 283 H GLY 49 H GLY 49 -19.322 14.054 5.113 284 HA2 GLY 49 2HA GLY 49 -21.166 15.471 4.935 285 HA3 GLY 49 1HA GLY 49 -20.089 16.860 4.835 286 H LEU 50 H LEU 50 -19.398 14.012 2.899 287 HA LEU 50 HA LEU 50 -19.704 15.503 0.489 288 HB2 LEU 50 2HB LEU 50 -19.326 12.566 0.919 289 HB3 LEU 50 1HB LEU 50 -19.496 13.275 -0.662 290 HG LEU 50 HG LEU 50 -17.238 13.844 1.281 291 HD11 LEU 50 1HD1 LEU 50 -17.297 12.513 -1.367 292 HD12 LEU 50 2HD1 LEU 50 -17.409 11.638 0.152 293 HD13 LEU 50 3HD1 LEU 50 -15.933 12.573 -0.232 294 HD21 LEU 50 1HD2 LEU 50 -16.244 15.145 -0.401 295 HD22 LEU 50 2HD2 LEU 50 -17.883 15.769 -0.274 296 HD23 LEU 50 3HD2 LEU 50 -17.438 14.678 -1.607 297 H ASP 51 H ASP 51 -21.614 16.148 -0.184 298 HA ASP 51 HA ASP 51 -23.979 14.561 0.195 299 HB2 ASP 51 2HB ASP 51 -25.138 16.221 -1.206 300 HB3 ASP 51 1HB ASP 51 -24.165 17.035 0.012 301 H SER 52 H SER 52 -25.307 14.074 -1.903 302 HA SER 52 HA SER 52 -23.600 12.216 -3.169 303 HB2 SER 52 2HB SER 52 -26.533 12.633 -3.640 304 HB3 SER 52 1HB SER 52 -25.499 11.315 -4.248 305 HG SER 52 HG SER 52 -25.249 11.733 -1.570 306 H ILE 53 H ILE 53 -24.347 15.430 -4.106 307 HA ILE 53 HA ILE 53 -23.997 14.790 -6.905 308 HB ILE 53 HB ILE 53 -23.856 17.511 -5.558 309 HG12 ILE 53 2HG1 ILE 53 -26.125 16.568 -5.367 310 HG13 ILE 53 1HG1 ILE 53 -26.113 17.909 -6.504 311 HG21 ILE 53 1HG2 ILE 53 -22.604 17.337 -7.702 312 HG22 ILE 53 2HG2 ILE 53 -23.971 18.445 -7.830 313 HG23 ILE 53 3HG2 ILE 53 -24.079 16.818 -8.503 314 HD11 ILE 53 1HD1 ILE 53 -26.116 16.308 -8.365 315 HD12 ILE 53 2HD1 ILE 53 -27.507 16.097 -7.304 316 HD13 ILE 53 3HD1 ILE 53 -26.152 14.975 -7.209 317 H ARG 54 H ARG 54 -22.253 16.270 -4.241 318 HA ARG 54 HA ARG 54 -19.821 16.396 -5.663 319 HB2 ARG 54 2HB ARG 54 -20.514 16.713 -2.793 320 HB3 ARG 54 1HB ARG 54 -18.828 16.416 -3.203 321 HG2 ARG 54 2HG ARG 54 -18.805 18.355 -4.654 322 HG3 ARG 54 1HG ARG 54 -20.519 18.630 -4.343 323 HD2 ARG 54 2HD ARG 54 -18.497 18.538 -2.145 324 HD3 ARG 54 1HD ARG 54 -18.852 20.055 -3.007 325 HE ARG 54 HE ARG 54 -21.183 18.728 -2.021 326 HH11 ARG 54 1HH1 ARG 54 -18.538 20.873 -0.953 327 HH12 ARG 54 2HH1 ARG 54 -19.429 21.478 0.356 328 HH21 ARG 54 1HH2 ARG 54 -22.291 19.479 -0.386 329 HH22 ARG 54 2HH2 ARG 54 -21.723 20.646 0.751 330 H LEU 55 H LEU 55 -21.375 13.872 -4.140 331 HA LEU 55 HA LEU 55 -19.123 12.117 -3.977 332 HB2 LEU 55 2HB LEU 55 -21.634 12.059 -2.914 333 HB3 LEU 55 1HB LEU 55 -21.880 11.100 -4.331 334 HG LEU 55 HG LEU 55 -20.157 9.496 -3.619 335 HD11 LEU 55 1HD1 LEU 55 -19.194 9.629 -1.448 336 HD12 LEU 55 2HD1 LEU 55 -20.106 11.082 -1.076 337 HD13 LEU 55 3HD1 LEU 55 -18.816 11.149 -2.273 338 HD21 LEU 55 1HD2 LEU 55 -21.390 8.561 -1.779 339 HD22 LEU 55 2HD2 LEU 55 -22.505 9.195 -2.998 340 HD23 LEU 55 3HD2 LEU 55 -22.190 10.106 -1.514 341 H MET 56 H MET 56 -21.716 12.791 -6.311 342 HA MET 56 HA MET 56 -20.927 10.638 -8.064 343 HB2 MET 56 2HB MET 56 -23.300 11.264 -7.764 344 HB3 MET 56 1HB MET 56 -22.973 12.823 -8.498 345 HG2 MET 56 2HG MET 56 -22.500 11.812 -10.611 346 HG3 MET 56 1HG MET 56 -22.567 10.195 -9.912 347 HE1 MET 56 HE1 MET 56 -24.752 9.081 -8.986 348 HE2 MET 56 HE2 MET 56 -26.355 9.810 -9.058 349 HE3 MET 56 HE3 MET 56 -25.138 10.467 -7.968 350 H ARG 57 H ARG 57 -20.278 13.891 -7.617 351 HA ARG 57 HA ARG 57 -19.329 14.989 -9.840 352 HB2 ARG 57 2HB ARG 57 -18.504 14.959 -7.017 353 HB3 ARG 57 1HB ARG 57 -17.292 15.556 -8.131 354 HG2 ARG 57 2HG ARG 57 -20.085 16.617 -8.156 355 HG3 ARG 57 1HG ARG 57 -18.868 17.227 -7.029 356 HD2 ARG 57 2HD ARG 57 -18.527 17.158 -10.016 357 HD3 ARG 57 1HD ARG 57 -18.919 18.593 -9.059 358 HE ARG 57 HE ARG 57 -16.800 18.293 -7.883 359 HH11 ARG 57 1HH1 ARG 57 -17.100 16.726 -11.044 360 HH12 ARG 57 2HH1 ARG 57 -15.417 16.581 -11.293 361 HH21 ARG 57 1HH2 ARG 57 -14.588 18.095 -8.175 362 HH22 ARG 57 2HH2 ARG 57 -13.893 17.414 -9.567 363 H TRP 58 H TRP 58 -17.838 12.591 -7.772 364 HA TRP 58 HA TRP 58 -15.412 12.377 -9.246 365 HB2 TRP 58 2HB TRP 58 -16.434 10.922 -6.846 366 HB3 TRP 58 1HB TRP 58 -14.819 10.744 -7.528 367 HD1 TRP 58 HD1 TRP 58 -16.276 12.374 -4.705 368 HE1 TRP 58 HE1 TRP 58 -15.026 14.410 -4.013 369 HE3 TRP 58 HE3 TRP 58 -13.641 13.207 -9.056 370 HZ2 TRP 58 HZ2 TRP 58 -13.062 16.226 -5.171 371 HZ3 TRP 58 HZ3 TRP 58 -12.147 15.129 -9.153 372 HH2 TRP 58 HH2 TRP 58 -11.880 16.610 -7.251 373 H LEU 59 H LEU 59 -18.402 10.673 -9.169 374 HA LEU 59 HA LEU 59 -17.566 8.086 -9.803 375 HB2 LEU 59 2HB LEU 59 -19.857 8.687 -9.070 376 HB3 LEU 59 1HB LEU 59 -20.146 9.465 -10.602 377 HG LEU 59 HG LEU 59 -21.259 7.215 -10.252 378 HD11 LEU 59 1HD1 LEU 59 -20.853 6.363 -12.497 379 HD12 LEU 59 2HD1 LEU 59 -19.448 7.419 -12.646 380 HD13 LEU 59 3HD1 LEU 59 -21.062 8.114 -12.490 381 HD21 LEU 59 1HD2 LEU 59 -18.452 6.171 -10.606 382 HD22 LEU 59 2HD2 LEU 59 -19.924 5.199 -10.575 383 HD23 LEU 59 3HD2 LEU 59 -19.418 6.079 -9.133 384 H HIS 60 H HIS 60 -18.260 10.779 -11.950 385 HA HIS 60 HA HIS 60 -17.656 9.205 -14.296 386 HB2 HIS 60 2HB HIS 60 -19.310 11.102 -14.319 387 HB3 HIS 60 1HB HIS 60 -17.967 12.214 -14.085 388 HD1 HIS 60 HD1 HIS 60 -16.721 12.953 -16.209 389 HD2 HIS 60 HD2 HIS 60 -19.267 9.729 -16.835 390 HE1 HIS 60 HE1 HIS 60 -16.789 12.581 -18.696 391 H TRP 61 H TRP 61 -15.965 11.187 -12.066 392 HA TRP 61 HA TRP 61 -13.789 11.995 -13.694 393 HB2 TRP 61 2HB TRP 61 -14.524 13.028 -11.476 394 HB3 TRP 61 1HB TRP 61 -13.762 11.652 -10.690 395 HD1 TRP 61 HD1 TRP 61 -13.020 14.972 -12.247 396 HE1 TRP 61 HE1 TRP 61 -10.523 15.513 -12.053 397 HE3 TRP 61 HE3 TRP 61 -11.358 10.446 -10.619 398 HZ2 TRP 61 HZ2 TRP 61 -8.160 14.202 -11.296 399 HZ3 TRP 61 HZ3 TRP 61 -8.967 10.175 -10.176 400 HH2 TRP 61 HH2 TRP 61 -7.405 12.006 -10.508 401 H PHE 62 H PHE 62 -14.300 9.305 -11.445 402 HA PHE 62 HA PHE 62 -11.788 8.064 -11.598 403 HB2 PHE 62 2HB PHE 62 -14.547 6.894 -11.284 404 HB3 PHE 62 1HB PHE 62 -13.113 5.888 -11.286 405 HD1 PHE 62 HD1 PHE 62 -15.187 8.144 -9.391 406 HD2 PHE 62 HD2 PHE 62 -11.483 6.128 -9.524 407 HE1 PHE 62 HE1 PHE 62 -14.931 8.483 -6.974 408 HE2 PHE 62 HE2 PHE 62 -11.205 6.461 -7.097 409 HZ PHE 62 HZ PHE 62 -12.914 7.630 -5.837 410 H ARG 63 H ARG 63 -14.604 7.712 -13.587 411 HA ARG 63 HA ARG 63 -13.495 5.618 -15.099 412 HB2 ARG 63 2HB ARG 63 -16.063 7.146 -15.527 413 HB3 ARG 63 1HB ARG 63 -15.565 5.690 -16.409 414 HG2 ARG 63 2HG ARG 63 -15.527 4.431 -14.351 415 HG3 ARG 63 1HG ARG 63 -15.998 5.871 -13.450 416 HD2 ARG 63 2HD ARG 63 -18.100 5.961 -14.662 417 HD3 ARG 63 1HD ARG 63 -17.621 4.565 -15.628 418 HE ARG 63 HE ARG 63 -17.566 4.102 -12.801 419 HH11 ARG 63 1HH1 ARG 63 -19.646 4.067 -15.645 420 HH12 ARG 63 2HH1 ARG 63 -20.743 2.912 -15.052 421 HH21 ARG 63 1HH2 ARG 63 -19.002 2.524 -11.948 422 HH22 ARG 63 2HH2 ARG 63 -20.361 1.968 -12.832 423 H LYS 64 H LYS 64 -13.027 8.929 -15.355 424 HA LYS 64 HA LYS 64 -12.773 9.328 -18.130 425 HB2 LYS 64 2HB LYS 64 -11.620 11.311 -17.630 426 HB3 LYS 64 1HB LYS 64 -12.564 11.052 -16.171 427 HG2 LYS 64 2HG LYS 64 -10.567 9.991 -15.149 428 HG3 LYS 64 1HG LYS 64 -9.655 10.434 -16.581 429 HD2 LYS 64 2HD LYS 64 -10.323 12.830 -16.081 430 HD3 LYS 64 1HD LYS 64 -10.886 12.233 -14.513 431 HE2 LYS 64 2HE LYS 64 -8.124 12.060 -15.657 432 HE3 LYS 64 1HE LYS 64 -8.619 13.020 -14.254 433 HZ1 LYS 64 1HZ LYS 64 -7.490 10.971 -13.515 434 HZ2 LYS 64 2HZ LYS 64 -8.408 10.077 -14.506 435 HZ3 LYS 64 3HZ LYS 64 -9.115 10.765 -13.142 436 H ASN 65 H ASN 65 -10.648 7.684 -15.872 437 HA ASN 65 HA ASN 65 -8.610 7.250 -17.982 438 HB2 ASN 65 2HB ASN 65 -8.488 6.798 -14.990 439 HB3 ASN 65 1HB ASN 65 -7.267 6.208 -16.093 440 HD21 ASN 65 1HD2 ASN 65 -5.724 7.393 -14.951 441 HD22 ASN 65 2HD2 ASN 65 -5.599 9.108 -15.091 442 H GLY 66 H GLY 66 -11.352 5.955 -17.235 443 HA2 GLY 66 2HA GLY 66 -12.231 3.863 -17.552 444 HA3 GLY 66 1HA GLY 66 -10.610 3.288 -17.934 445 H TYR 67 H TYR 67 -11.363 4.965 -14.926 446 HA TYR 67 HA TYR 67 -10.470 2.637 -13.591 447 HB2 TYR 67 2HB TYR 67 -11.285 5.283 -12.428 448 HB3 TYR 67 1HB TYR 67 -10.857 3.895 -11.425 449 HD1 TYR 67 HD1 TYR 67 -9.546 6.794 -12.340 450 HD2 TYR 67 HD2 TYR 67 -8.650 2.669 -12.775 451 HE1 TYR 67 HE1 TYR 67 -7.163 7.333 -12.656 452 HE2 TYR 67 HE2 TYR 67 -6.304 3.180 -13.078 453 HH TYR 67 HH TYR 67 -4.974 6.139 -12.335 454 H ARG 68 H ARG 68 -11.685 2.128 -11.447 455 HA ARG 68 HA ARG 68 -14.075 0.940 -12.769 456 HB2 ARG 68 2HB ARG 68 -12.120 -0.632 -11.137 457 HB3 ARG 68 1HB ARG 68 -13.450 -1.243 -12.101 458 HG2 ARG 68 2HG ARG 68 -12.321 -0.670 -14.135 459 HG3 ARG 68 1HG ARG 68 -11.048 0.166 -13.239 460 HD2 ARG 68 2HD ARG 68 -10.590 -2.012 -12.084 461 HD3 ARG 68 1HD ARG 68 -11.671 -2.772 -13.247 462 HE ARG 68 HE ARG 68 -10.048 -1.600 -14.896 463 HH11 ARG 68 1HH1 ARG 68 -9.211 -3.189 -11.852 464 HH12 ARG 68 2HH1 ARG 68 -7.710 -3.788 -12.359 465 HH21 ARG 68 1HH2 ARG 68 -7.886 -2.383 -15.627 466 HH22 ARG 68 2HH2 ARG 68 -6.935 -3.294 -14.545 467 H LEU 69 H LEU 69 -15.512 2.124 -11.414 468 HA LEU 69 HA LEU 69 -16.209 0.522 -9.232 469 HB2 LEU 69 2HB LEU 69 -16.155 2.229 -7.407 470 HB3 LEU 69 1HB LEU 69 -14.604 1.598 -7.889 471 HG LEU 69 HG LEU 69 -14.313 3.739 -9.230 472 HD11 LEU 69 1HD1 LEU 69 -16.624 4.487 -9.268 473 HD12 LEU 69 2HD1 LEU 69 -15.583 5.682 -8.493 474 HD13 LEU 69 3HD1 LEU 69 -16.616 4.644 -7.511 475 HD21 LEU 69 1HD2 LEU 69 -13.099 3.311 -7.224 476 HD22 LEU 69 2HD2 LEU 69 -14.484 3.755 -6.242 477 HD23 LEU 69 3HD2 LEU 69 -13.652 4.990 -7.196 478 H THR 70 H THR 70 -18.086 1.149 -8.118 479 HA THR 70 HA THR 70 -19.774 2.955 -9.662 480 HB THR 70 HB THR 70 -21.683 1.709 -8.688 481 HG1 THR 70 1HG THR 70 -19.634 0.111 -7.499 482 HG21 THR 70 1HG2 THR 70 -20.824 0.946 -10.852 483 HG22 THR 70 2HG2 THR 70 -21.432 -0.411 -9.905 484 HG23 THR 70 3HG2 THR 70 -19.695 -0.132 -10.031 485 H LEU 71 H LEU 71 -21.144 4.311 -8.293 486 HA LEU 71 HA LEU 71 -19.623 5.404 -6.166 487 HB2 LEU 71 2HB LEU 71 -21.263 6.542 -7.794 488 HB3 LEU 71 1HB LEU 71 -22.428 5.872 -6.653 489 HG LEU 71 HG LEU 71 -21.624 7.184 -4.850 490 HD11 LEU 71 1HD1 LEU 71 -19.352 7.248 -5.180 491 HD12 LEU 71 2HD1 LEU 71 -19.808 8.947 -5.509 492 HD13 LEU 71 3HD1 LEU 71 -19.556 7.784 -6.823 493 HD21 LEU 71 1HD2 LEU 71 -21.969 8.864 -7.330 494 HD22 LEU 71 2HD2 LEU 71 -22.127 9.433 -5.671 495 HD23 LEU 71 3HD2 LEU 71 -23.270 8.246 -6.308 496 H ARG 72 H ARG 72 -22.129 3.043 -6.348 497 HA ARG 72 HA ARG 72 -23.222 3.409 -3.755 498 HB2 ARG 72 2HB ARG 72 -23.241 0.966 -5.529 499 HB3 ARG 72 1HB ARG 72 -24.195 1.143 -4.066 500 HG2 ARG 72 2HG ARG 72 -24.418 2.755 -6.602 501 HG3 ARG 72 1HG ARG 72 -25.539 1.511 -6.040 502 HD2 ARG 72 2HD ARG 72 -25.959 2.840 -4.049 503 HD3 ARG 72 1HD ARG 72 -24.894 4.096 -4.685 504 HE ARG 72 HE ARG 72 -27.162 3.284 -6.326 505 HH11 ARG 72 1HH1 ARG 72 -25.799 5.787 -4.205 506 HH12 ARG 72 2HH1 ARG 72 -26.878 7.003 -4.615 507 HH21 ARG 72 1HH2 ARG 72 -28.743 4.985 -6.928 508 HH22 ARG 72 2HH2 ARG 72 -28.626 6.522 -6.217 509 H GLU 73 H GLU 73 -20.364 2.083 -4.897 510 HA GLU 73 HA GLU 73 -19.808 0.334 -2.628 511 HB2 GLU 73 2HB GLU 73 -18.020 1.437 -4.811 512 HB3 GLU 73 1HB GLU 73 -17.477 0.304 -3.583 513 HG2 GLU 73 2HG GLU 73 -18.863 -1.386 -4.385 514 HG3 GLU 73 1HG GLU 73 -19.753 -0.253 -5.430 515 H LEU 74 H LEU 74 -19.310 3.540 -3.608 516 HA LEU 74 HA LEU 74 -17.353 4.233 -1.636 517 HB2 LEU 74 2HB LEU 74 -18.943 6.005 -3.479 518 HB3 LEU 74 1HB LEU 74 -17.531 6.490 -2.554 519 HG LEU 74 HG LEU 74 -17.600 4.507 -4.829 520 HD11 LEU 74 1HD1 LEU 74 -17.645 6.712 -5.694 521 HD12 LEU 74 2HD1 LEU 74 -15.999 6.107 -5.863 522 HD13 LEU 74 3HD1 LEU 74 -16.398 7.234 -4.569 523 HD21 LEU 74 1HD2 LEU 74 -15.314 5.302 -3.051 524 HD22 LEU 74 2HD2 LEU 74 -15.156 4.392 -4.545 525 HD23 LEU 74 3HD2 LEU 74 -16.048 3.703 -3.188 526 H TYR 75 H TYR 75 -20.741 4.097 -1.699 527 HA TYR 75 HA TYR 75 -21.116 5.823 0.610 528 HB2 TYR 75 2HB TYR 75 -22.914 3.778 -0.688 529 HB3 TYR 75 1HB TYR 75 -23.342 4.629 0.785 530 HD1 TYR 75 HD1 TYR 75 -22.653 5.051 -2.812 531 HD2 TYR 75 HD2 TYR 75 -24.320 6.758 0.691 532 HE1 TYR 75 HE1 TYR 75 -23.788 6.723 -4.186 533 HE2 TYR 75 HE2 TYR 75 -25.447 8.465 -0.652 534 HH TYR 75 HH TYR 75 -25.380 9.476 -2.847 535 H ALA 76 H ALA 76 -20.680 2.425 -0.098 536 HA ALA 76 HA ALA 76 -21.290 1.450 2.501 537 HB1 ALA 76 1HB ALA 76 -20.406 -0.679 1.689 538 HB2 ALA 76 2HB ALA 76 -19.737 0.131 0.274 539 HB3 ALA 76 3HB ALA 76 -21.484 0.046 0.494 540 H ALA 77 H ALA 77 -18.269 2.056 0.757 541 HA ALA 77 HA ALA 77 -16.971 2.195 3.372 542 HB1 ALA 77 1HB ALA 77 -15.739 1.173 0.803 543 HB2 ALA 77 2HB ALA 77 -16.212 0.180 2.182 544 HB3 ALA 77 3HB ALA 77 -14.906 1.353 2.348 545 HA PRO 78 HA PRO 78 -16.307 6.084 1.217 546 HB2 PRO 78 2HB PRO 78 -17.429 7.684 3.164 547 HB3 PRO 78 1HB PRO 78 -18.301 7.016 1.768 548 HG2 PRO 78 2HG PRO 78 -18.710 6.370 4.498 549 HG3 PRO 78 1HG PRO 78 -19.489 5.651 3.078 550 HD2 PRO 78 2HD PRO 78 -17.215 4.626 4.672 551 HD3 PRO 78 1HD PRO 78 -18.409 3.748 3.685 552 H THR 79 H THR 79 -14.064 5.592 1.780 553 HA THR 79 HA THR 79 -13.064 7.602 3.586 554 HB THR 79 HB THR 79 -11.266 6.019 4.331 555 HG1 THR 79 1HG THR 79 -11.440 3.894 4.033 556 HG21 THR 79 1HG2 THR 79 -14.040 5.092 5.086 557 HG22 THR 79 2HG2 THR 79 -13.144 6.410 5.838 558 HG23 THR 79 3HG2 THR 79 -12.564 4.746 5.998 559 H LEU 80 H LEU 80 -10.979 8.294 2.774 560 HA LEU 80 HA LEU 80 -10.898 8.473 0.056 561 HB2 LEU 80 2HB LEU 80 -8.725 8.725 2.030 562 HB3 LEU 80 1HB LEU 80 -8.494 9.002 0.306 563 HG LEU 80 HG LEU 80 -10.475 10.546 1.987 564 HD11 LEU 80 1HD1 LEU 80 -8.805 12.364 1.717 565 HD12 LEU 80 2HD1 LEU 80 -7.651 11.110 1.201 566 HD13 LEU 80 3HD1 LEU 80 -8.340 11.081 2.823 567 HD21 LEU 80 1HD2 LEU 80 -10.982 10.529 -0.409 568 HD22 LEU 80 2HD2 LEU 80 -9.343 10.994 -0.776 569 HD23 LEU 80 3HD2 LEU 80 -10.388 12.107 0.096 570 H ALA 81 H ALA 81 -9.146 6.285 2.227 571 HA ALA 81 HA ALA 81 -7.424 5.037 0.449 572 HB1 ALA 81 1HB ALA 81 -7.237 3.284 2.125 573 HB2 ALA 81 2HB ALA 81 -8.695 3.873 2.922 574 HB3 ALA 81 3HB ALA 81 -7.245 4.875 2.887 575 H ALA 82 H ALA 82 -10.749 4.168 1.359 576 HA ALA 82 HA ALA 82 -10.814 1.786 -0.109 577 HB1 ALA 82 1HB ALA 82 -13.121 3.589 0.601 578 HB2 ALA 82 2HB ALA 82 -12.498 2.260 1.589 579 HB3 ALA 82 3HB ALA 82 -13.249 1.933 0.019 580 H TRP 83 H TRP 83 -11.830 5.072 -1.025 581 HA TRP 83 HA TRP 83 -12.804 4.358 -3.605 582 HB2 TRP 83 2HB TRP 83 -11.555 7.097 -3.004 583 HB3 TRP 83 1HB TRP 83 -12.688 6.633 -4.252 584 HD1 TRP 83 HD1 TRP 83 -13.508 5.705 -0.681 585 HE1 TRP 83 HE1 TRP 83 -15.640 7.031 -0.047 586 HE3 TRP 83 HE3 TRP 83 -13.732 8.820 -4.681 587 HZ2 TRP 83 HZ2 TRP 83 -17.142 9.158 -1.097 588 HZ3 TRP 83 HZ3 TRP 83 -15.492 10.469 -4.798 589 HH2 TRP 83 HH2 TRP 83 -17.158 10.658 -3.066 590 H ASN 84 H ASN 84 -9.664 5.280 -2.401 591 HA ASN 84 HA ASN 84 -8.162 5.467 -4.770 592 HB2 ASN 84 2HB ASN 84 -7.405 6.239 -2.538 593 HB3 ASN 84 1HB ASN 84 -7.305 4.573 -1.998 594 HD21 ASN 84 1HD2 ASN 84 -5.538 3.295 -2.695 595 HD22 ASN 84 2HD2 ASN 84 -4.161 4.005 -3.440 596 H GLN 85 H GLN 85 -8.523 2.759 -2.489 597 HA GLN 85 HA GLN 85 -7.047 0.921 -4.096 598 HB2 GLN 85 2HB GLN 85 -8.873 0.464 -1.749 599 HB3 GLN 85 1HB GLN 85 -7.934 -0.793 -2.538 600 HG2 GLN 85 2HG GLN 85 -5.881 0.517 -1.995 601 HG3 GLN 85 1HG GLN 85 -6.925 1.602 -1.071 602 HE21 GLN 85 1HE2 GLN 85 -4.735 -0.385 -0.415 603 HE22 GLN 85 2HE2 GLN 85 -5.413 -1.276 0.912 604 H LEU 86 H LEU 86 -10.477 1.703 -3.974 605 HA LEU 86 HA LEU 86 -11.311 -0.650 -5.209 606 HB2 LEU 86 2HB LEU 86 -12.567 2.069 -5.272 607 HB3 LEU 86 1HB LEU 86 -13.305 0.670 -6.032 608 HG LEU 86 HG LEU 86 -12.698 0.978 -3.087 609 HD11 LEU 86 1HD1 LEU 86 -15.312 0.794 -4.528 610 HD12 LEU 86 2HD1 LEU 86 -14.568 2.282 -3.923 611 HD13 LEU 86 3HD1 LEU 86 -15.057 1.017 -2.788 612 HD21 LEU 86 1HD2 LEU 86 -13.975 -1.320 -4.574 613 HD22 LEU 86 2HD2 LEU 86 -13.938 -1.125 -2.828 614 HD23 LEU 86 3HD2 LEU 86 -12.432 -1.359 -3.706 615 H MET 87 H MET 87 -9.548 1.882 -6.561 616 HA MET 87 HA MET 87 -10.088 1.290 -9.318 617 HB2 MET 87 2HB MET 87 -7.660 2.527 -8.005 618 HB3 MET 87 1HB MET 87 -7.902 2.425 -9.733 619 HG2 MET 87 2HG MET 87 -9.821 3.930 -9.526 620 HG3 MET 87 1HG MET 87 -9.543 4.019 -7.783 621 HE1 MET 87 HE1 MET 87 -9.594 6.386 -9.972 622 HE2 MET 87 HE2 MET 87 -8.382 7.537 -9.325 623 HE3 MET 87 HE3 MET 87 -9.520 6.746 -8.254 624 H LEU 88 H LEU 88 -7.403 0.553 -7.096 625 HA LEU 88 HA LEU 88 -6.169 -1.280 -9.003 626 HB2 LEU 88 2HB LEU 88 -5.217 -0.019 -6.462 627 HB3 LEU 88 1HB LEU 88 -4.372 -1.322 -7.298 628 HG LEU 88 HG LEU 88 -3.358 0.835 -7.768 629 HD11 LEU 88 1HD1 LEU 88 -3.187 -1.002 -9.356 630 HD12 LEU 88 2HD1 LEU 88 -3.192 0.564 -10.155 631 HD13 LEU 88 3HD1 LEU 88 -4.644 -0.435 -10.178 632 HD21 LEU 88 1HD2 LEU 88 -4.449 2.501 -9.065 633 HD22 LEU 88 2HD2 LEU 88 -5.517 2.116 -7.701 634 HD23 LEU 88 3HD2 LEU 88 -5.853 1.466 -9.297 635 H SER 89 H SER 89 -7.820 -1.692 -5.939 636 HA SER 89 HA SER 89 -6.561 -4.133 -5.279 637 HB2 SER 89 2HB SER 89 -8.492 -4.478 -3.725 638 HB3 SER 89 1HB SER 89 -7.711 -2.906 -3.563 639 HG SER 89 HG SER 89 -9.369 -1.950 -4.574 640 H ARG 90 H ARG 90 -8.526 -3.592 -7.811 641 HA ARG 90 HA ARG 90 -9.710 -6.275 -7.838 642 HB2 ARG 90 2HB ARG 90 -10.005 -4.158 -9.974 643 HB3 ARG 90 1HB ARG 90 -11.056 -5.537 -9.666 644 HG2 ARG 90 2HG ARG 90 -11.606 -4.487 -7.443 645 HG3 ARG 90 1HG ARG 90 -10.754 -3.050 -8.001 646 HD2 ARG 90 2HD ARG 90 -12.312 -3.216 -10.043 647 HD3 ARG 90 1HD ARG 90 -13.274 -4.278 -9.009 648 HE ARG 90 HE ARG 90 -12.622 -1.464 -8.427 649 HH11 ARG 90 1HH1 ARG 90 -14.852 -4.218 -7.785 650 HH12 ARG 90 2HH1 ARG 90 -15.968 -3.137 -7.028 651 HH21 ARG 90 1HH2 ARG 90 -14.281 -0.201 -7.429 652 HH22 ARG 90 2HH2 ARG 90 -15.679 -1.024 -6.837 653 H SER 91 H SER 91 -6.864 -4.948 -8.392 654 HA SER 91 HA SER 91 -5.895 -7.022 -10.119 655 HB2 SER 91 2HB SER 91 -5.473 -4.017 -10.562 656 HB3 SER 91 1HB SER 91 -4.698 -5.298 -11.495 657 HG SER 91 HG SER 91 -7.238 -5.798 -11.500 658 HA PRO 92 HA PRO 92 -2.443 -6.253 -7.077 659 HB2 PRO 92 2HB PRO 92 -0.753 -4.540 -8.841 660 HB3 PRO 92 1HB PRO 92 -0.298 -6.015 -7.961 661 HG2 PRO 92 2HG PRO 92 -0.575 -6.097 -10.568 662 HG3 PRO 92 1HG PRO 92 -1.179 -7.426 -9.555 663 HD2 PRO 92 2HD PRO 92 -2.708 -5.224 -10.860 664 HD3 PRO 92 1HD PRO 92 -3.117 -6.948 -10.717 665 H GLU 93 H GLU 93 -2.997 -4.896 -5.475 666 HA GLU 93 HA GLU 93 -4.072 -2.329 -5.897 667 HB2 GLU 93 2HB GLU 93 -4.530 -4.047 -3.992 668 HB3 GLU 93 1HB GLU 93 -3.119 -3.343 -3.230 669 HG2 GLU 93 2HG GLU 93 -5.630 -1.828 -3.986 670 HG3 GLU 93 1HG GLU 93 -5.253 -2.421 -2.378 Start of MODEL 4 1 H ASP 14 1H ASP 14 -4.094 4.398 -1.370 2 HA ASP 14 HA ASP 14 -2.135 5.893 -1.183 3 HB2 ASP 14 2HB ASP 14 0.047 4.890 -1.570 4 HB3 ASP 14 1HB ASP 14 -0.670 4.089 -0.169 5 H ASN 15 H ASN 15 -0.521 5.708 -3.440 6 HA ASN 15 HA ASN 15 -2.174 4.680 -5.532 7 HB2 ASN 15 2HB ASN 15 -2.446 6.991 -6.591 8 HB3 ASN 15 1HB ASN 15 -3.493 6.586 -5.241 9 HD21 ASN 15 1HD2 ASN 15 -0.699 8.484 -6.226 10 HD22 ASN 15 2HD2 ASN 15 -0.791 9.602 -4.917 11 H ARG 16 H ARG 16 -0.925 4.033 -7.175 12 HA ARG 16 HA ARG 16 1.504 5.525 -7.505 13 HB2 ARG 16 2HB ARG 16 2.400 3.388 -8.738 14 HB3 ARG 16 1HB ARG 16 2.466 3.524 -6.998 15 HG2 ARG 16 2HG ARG 16 0.202 2.273 -8.350 16 HG3 ARG 16 1HG ARG 16 1.686 1.312 -8.116 17 HD2 ARG 16 2HD ARG 16 1.314 2.055 -5.562 18 HD3 ARG 16 1HD ARG 16 -0.343 2.343 -6.101 19 HE ARG 16 HE ARG 16 0.448 -0.189 -6.932 20 HH11 ARG 16 1HH1 ARG 16 -0.196 1.476 -3.817 21 HH12 ARG 16 2HH1 ARG 16 -0.889 0.162 -3.091 22 HH21 ARG 16 1HH2 ARG 16 -0.482 -1.997 -5.939 23 HH22 ARG 16 2HH2 ARG 16 -1.062 -1.960 -4.327 24 H HIS 17 H HIS 17 -0.248 3.419 -9.932 25 HA HIS 17 HA HIS 17 0.044 5.623 -11.827 26 HB2 HIS 17 2HB HIS 17 0.017 3.205 -12.632 27 HB3 HIS 17 1HB HIS 17 -1.642 3.082 -12.066 28 HD1 HIS 17 HD1 HIS 17 -3.426 4.766 -13.441 29 HD2 HIS 17 HD2 HIS 17 0.307 4.081 -15.171 30 HE1 HIS 17 HE1 HIS 17 -3.653 5.344 -15.870 31 H ALA 18 H ALA 18 -2.146 4.100 -9.728 32 HA ALA 18 HA ALA 18 -4.502 5.575 -9.847 33 HB1 ALA 18 1HB ALA 18 -4.128 3.602 -8.360 34 HB2 ALA 18 2HB ALA 18 -4.849 4.974 -7.533 35 HB3 ALA 18 3HB ALA 18 -3.132 4.629 -7.334 36 H ALA 19 H ALA 19 -1.466 6.888 -9.226 37 HA ALA 19 HA ALA 19 -1.890 9.044 -7.600 38 HB1 ALA 19 1HB ALA 19 -0.196 10.228 -8.866 39 HB2 ALA 19 2HB ALA 19 -0.408 9.121 -10.223 40 HB3 ALA 19 3HB ALA 19 0.247 8.528 -8.696 41 H ASP 20 H ASP 20 -3.353 8.557 -10.735 42 HA ASP 20 HA ASP 20 -4.368 11.066 -11.400 43 HB2 ASP 20 2HB ASP 20 -4.825 9.076 -12.771 44 HB3 ASP 20 1HB ASP 20 -5.746 8.373 -11.447 45 H TYR 21 H TYR 21 -5.487 8.759 -8.959 46 HA TYR 21 HA TYR 21 -7.815 10.030 -8.055 47 HB2 TYR 21 2HB TYR 21 -7.157 7.701 -7.452 48 HB3 TYR 21 1HB TYR 21 -5.896 8.356 -6.416 49 HD1 TYR 21 HD1 TYR 21 -6.410 8.899 -4.112 50 HD2 TYR 21 HD2 TYR 21 -9.553 8.362 -6.943 51 HE1 TYR 21 HE1 TYR 21 -8.046 9.023 -2.324 52 HE2 TYR 21 HE2 TYR 21 -11.182 8.506 -5.151 53 HH TYR 21 HH TYR 21 -11.278 8.139 -2.702 54 H GLN 22 H GLN 22 -4.496 10.721 -7.551 55 HA GLN 22 HA GLN 22 -4.745 12.136 -5.143 56 HB2 GLN 22 2HB GLN 22 -2.665 12.029 -7.182 57 HB3 GLN 22 1HB GLN 22 -2.772 13.569 -6.341 58 HG2 GLN 22 2HG GLN 22 -2.321 10.856 -5.147 59 HG3 GLN 22 1HG GLN 22 -1.201 12.219 -5.193 60 HE21 GLN 22 1HE2 GLN 22 -1.875 14.155 -4.024 61 HE22 GLN 22 2HE2 GLN 22 -2.745 13.981 -2.552 62 H GLN 23 H GLN 23 -5.145 13.309 -8.458 63 HA GLN 23 HA GLN 23 -5.650 15.860 -7.377 64 HB2 GLN 23 2HB GLN 23 -5.822 14.856 -10.191 65 HB3 GLN 23 1HB GLN 23 -6.481 16.440 -9.775 66 HG2 GLN 23 2HG GLN 23 -4.230 16.754 -10.526 67 HG3 GLN 23 1HG GLN 23 -4.282 17.050 -8.792 68 HE21 GLN 23 1HE2 GLN 23 -2.326 16.497 -8.095 69 HE22 GLN 23 2HE2 GLN 23 -1.558 14.992 -8.383 70 H LEU 24 H LEU 24 -7.611 13.207 -7.782 71 HA LEU 24 HA LEU 24 -10.085 14.633 -7.480 72 HB2 LEU 24 2HB LEU 24 -10.196 12.376 -8.369 73 HB3 LEU 24 1HB LEU 24 -9.379 11.644 -7.016 74 HG LEU 24 HG LEU 24 -12.155 12.853 -6.935 75 HD11 LEU 24 1HD1 LEU 24 -12.918 10.537 -7.045 76 HD12 LEU 24 2HD1 LEU 24 -11.254 10.000 -7.270 77 HD13 LEU 24 3HD1 LEU 24 -12.034 10.998 -8.498 78 HD21 LEU 24 1HD2 LEU 24 -11.104 12.672 -4.716 79 HD22 LEU 24 2HD2 LEU 24 -10.733 10.979 -5.028 80 HD23 LEU 24 3HD2 LEU 24 -12.410 11.502 -4.897 81 H ARG 25 H ARG 25 -7.531 13.556 -5.466 82 HA ARG 25 HA ARG 25 -8.991 13.677 -2.984 83 HB2 ARG 25 2HB ARG 25 -7.326 11.949 -3.363 84 HB3 ARG 25 1HB ARG 25 -6.096 13.178 -3.616 85 HG2 ARG 25 2HG ARG 25 -5.729 13.366 -1.445 86 HG3 ARG 25 1HG ARG 25 -7.461 13.560 -1.133 87 HD2 ARG 25 2HD ARG 25 -6.791 11.655 0.005 88 HD3 ARG 25 1HD ARG 25 -7.723 11.189 -1.419 89 HE ARG 25 HE ARG 25 -5.000 11.109 -2.099 90 HH11 ARG 25 1HH1 ARG 25 -7.435 9.377 -0.246 91 HH12 ARG 25 2HH1 ARG 25 -6.540 7.935 -0.091 92 HH21 ARG 25 1HH2 ARG 25 -3.745 9.026 -1.964 93 HH22 ARG 25 2HH2 ARG 25 -4.434 7.760 -1.025 94 H GLU 26 H GLU 26 -6.343 15.320 -4.567 95 HA GLU 26 HA GLU 26 -5.882 17.315 -2.718 96 HB2 GLU 26 2HB GLU 26 -5.449 17.040 -5.677 97 HB3 GLU 26 1HB GLU 26 -4.920 18.466 -4.805 98 HG2 GLU 26 2HG GLU 26 -3.403 17.205 -3.472 99 HG3 GLU 26 1HG GLU 26 -4.124 15.685 -3.977 100 H ARG 27 H ARG 27 -8.208 17.047 -5.367 101 HA ARG 27 HA ARG 27 -9.201 19.632 -4.831 102 HB2 ARG 27 2HB ARG 27 -9.685 18.747 -7.040 103 HB3 ARG 27 1HB ARG 27 -10.547 17.371 -6.340 104 HG2 ARG 27 2HG ARG 27 -12.215 18.805 -5.420 105 HG3 ARG 27 1HG ARG 27 -11.331 20.231 -5.920 106 HD2 ARG 27 2HD ARG 27 -11.837 19.762 -8.246 107 HD3 ARG 27 1HD ARG 27 -12.571 18.221 -7.805 108 HE ARG 27 HE ARG 27 -14.126 19.424 -6.434 109 HH11 ARG 27 1HH1 ARG 27 -12.807 21.089 -9.246 110 HH12 ARG 27 2HH1 ARG 27 -13.942 22.367 -9.227 111 HH21 ARG 27 1HH2 ARG 27 -15.605 21.143 -6.300 112 HH22 ARG 27 2HH2 ARG 27 -15.640 22.407 -7.447 113 H LEU 28 H LEU 28 -10.151 16.371 -3.722 114 HA LEU 28 HA LEU 28 -12.391 17.097 -2.303 115 HB2 LEU 28 2HB LEU 28 -10.475 14.815 -1.889 116 HB3 LEU 28 1HB LEU 28 -11.651 15.153 -0.656 117 HG LEU 28 HG LEU 28 -12.304 14.535 -3.538 118 HD11 LEU 28 1HD1 LEU 28 -12.672 12.931 -1.019 119 HD12 LEU 28 2HD1 LEU 28 -11.489 12.606 -2.287 120 HD13 LEU 28 3HD1 LEU 28 -13.213 12.470 -2.631 121 HD21 LEU 28 1HD2 LEU 28 -14.630 14.397 -2.675 122 HD22 LEU 28 2HD2 LEU 28 -13.981 16.021 -2.661 123 HD23 LEU 28 3HD2 LEU 28 -14.080 15.105 -1.156 124 H ILE 29 H ILE 29 -9.099 17.442 -1.292 125 HA ILE 29 HA ILE 29 -9.507 18.216 1.349 126 HB ILE 29 HB ILE 29 -7.383 19.101 -0.633 127 HG12 ILE 29 2HG1 ILE 29 -7.380 17.062 1.597 128 HG13 ILE 29 1HG1 ILE 29 -7.419 16.718 -0.125 129 HG21 ILE 29 1HG2 ILE 29 -7.537 20.794 1.126 130 HG22 ILE 29 2HG2 ILE 29 -6.045 19.863 1.283 131 HG23 ILE 29 3HG2 ILE 29 -7.405 19.535 2.357 132 HD11 ILE 29 1HD1 ILE 29 -5.170 17.648 -0.353 133 HD12 ILE 29 2HD1 ILE 29 -5.237 16.338 0.837 134 HD13 ILE 29 3HD1 ILE 29 -5.159 18.010 1.380 135 H GLN 30 H GLN 30 -9.615 20.174 -1.589 136 HA GLN 30 HA GLN 30 -10.263 22.563 -0.073 137 HB2 GLN 30 2HB GLN 30 -8.873 22.663 -2.102 138 HB3 GLN 30 1HB GLN 30 -10.258 22.136 -3.047 139 HG2 GLN 30 2HG GLN 30 -9.875 24.532 -3.135 140 HG3 GLN 30 1HG GLN 30 -11.475 24.141 -2.492 141 HE21 GLN 30 1HE2 GLN 30 -8.435 23.970 -0.689 142 HE22 GLN 30 2HE2 GLN 30 -8.827 25.273 0.383 143 H GLU 31 H GLU 31 -11.910 20.167 -1.963 144 HA GLU 31 HA GLU 31 -14.296 21.276 -2.679 145 HB2 GLU 31 2HB GLU 31 -13.403 18.999 -3.118 146 HB3 GLU 31 1HB GLU 31 -14.048 18.508 -1.551 147 HG2 GLU 31 2HG GLU 31 -15.740 17.861 -2.967 148 HG3 GLU 31 1HG GLU 31 -16.261 19.490 -2.527 149 H LEU 32 H LEU 32 -13.677 19.525 0.425 150 HA LEU 32 HA LEU 32 -16.026 20.916 1.511 151 HB2 LEU 32 2HB LEU 32 -14.625 18.412 2.379 152 HB3 LEU 32 1HB LEU 32 -15.922 19.171 3.281 153 HG LEU 32 HG LEU 32 -16.166 18.075 0.488 154 HD11 LEU 32 1HD1 LEU 32 -16.855 16.917 3.177 155 HD12 LEU 32 2HD1 LEU 32 -15.732 16.268 1.959 156 HD13 LEU 32 3HD1 LEU 32 -17.456 16.299 1.645 157 HD21 LEU 32 1HD2 LEU 32 -18.569 18.269 0.921 158 HD22 LEU 32 2HD2 LEU 32 -17.778 19.839 0.977 159 HD23 LEU 32 3HD2 LEU 32 -18.230 19.025 2.478 160 H ASN 33 H ASN 33 -12.979 21.663 1.316 161 HA ASN 33 HA ASN 33 -11.407 22.779 2.545 162 HB2 ASN 33 2HB ASN 33 -13.924 23.539 4.013 163 HB3 ASN 33 1HB ASN 33 -12.375 24.013 4.684 164 HD21 ASN 33 1HD2 ASN 33 -13.001 23.895 1.179 165 HD22 ASN 33 2HD2 ASN 33 -12.917 25.600 0.986 166 H LEU 34 H LEU 34 -11.498 20.141 2.956 167 HA LEU 34 HA LEU 34 -11.449 19.479 5.775 168 HB2 LEU 34 2HB LEU 34 -10.564 17.828 3.392 169 HB3 LEU 34 1HB LEU 34 -10.918 17.236 5.005 170 HG LEU 34 HG LEU 34 -12.913 18.554 3.259 171 HD11 LEU 34 1HD1 LEU 34 -13.803 16.301 2.634 172 HD12 LEU 34 2HD1 LEU 34 -12.588 15.556 3.647 173 HD13 LEU 34 3HD1 LEU 34 -12.104 16.421 2.191 174 HD21 LEU 34 1HD2 LEU 34 -14.576 17.485 4.721 175 HD22 LEU 34 2HD2 LEU 34 -13.510 18.593 5.584 176 HD23 LEU 34 3HD2 LEU 34 -13.262 16.849 5.711 177 H THR 35 H THR 35 -9.640 19.647 6.994 178 HA THR 35 HA THR 35 -7.205 20.644 6.011 179 HB THR 35 HB THR 35 -7.646 19.134 8.588 180 HG1 THR 35 1HG THR 35 -8.596 21.757 7.927 181 HG21 THR 35 1HG2 THR 35 -6.140 21.683 7.921 182 HG22 THR 35 2HG2 THR 35 -5.410 20.097 8.191 183 HG23 THR 35 3HG2 THR 35 -6.224 20.930 9.513 184 HA PRO 36 HA PRO 36 -5.420 16.640 4.661 185 HB2 PRO 36 2HB PRO 36 -2.793 17.075 5.515 186 HB3 PRO 36 1HB PRO 36 -3.444 17.588 3.946 187 HG2 PRO 36 2HG PRO 36 -3.060 19.181 6.419 188 HG3 PRO 36 1HG PRO 36 -2.857 19.652 4.718 189 HD2 PRO 36 2HD PRO 36 -4.996 20.436 6.093 190 HD3 PRO 36 1HD PRO 36 -5.120 19.974 4.384 191 H GLN 37 H GLN 37 -5.248 17.797 7.869 192 HA GLN 37 HA GLN 37 -4.302 15.377 9.105 193 HB2 GLN 37 2HB GLN 37 -5.784 17.742 10.266 194 HB3 GLN 37 1HB GLN 37 -5.009 16.471 11.202 195 HG2 GLN 37 2HG GLN 37 -2.844 17.132 10.408 196 HG3 GLN 37 1HG GLN 37 -3.564 18.298 9.299 197 HE21 GLN 37 1HE2 GLN 37 -2.803 17.595 12.611 198 HE22 GLN 37 2HE2 GLN 37 -3.080 19.205 13.189 199 H GLN 38 H GLN 38 -7.335 16.613 7.957 200 HA GLN 38 HA GLN 38 -8.898 14.616 9.360 201 HB2 GLN 38 2HB GLN 38 -9.827 16.918 9.252 202 HB3 GLN 38 1HB GLN 38 -9.674 16.898 7.503 203 HG2 GLN 38 2HG GLN 38 -11.288 15.318 7.233 204 HG3 GLN 38 1HG GLN 38 -11.375 14.936 8.960 205 HE21 GLN 38 1HE2 GLN 38 -11.133 18.201 7.729 206 HE22 GLN 38 2HE2 GLN 38 -12.749 18.664 8.152 207 H LEU 39 H LEU 39 -7.881 15.700 6.190 208 HA LEU 39 HA LEU 39 -9.302 13.573 4.918 209 HB2 LEU 39 2HB LEU 39 -9.191 15.998 4.099 210 HB3 LEU 39 1HB LEU 39 -7.549 15.670 3.618 211 HG LEU 39 HG LEU 39 -9.330 15.662 1.849 212 HD11 LEU 39 1HD1 LEU 39 -8.376 13.719 0.657 213 HD12 LEU 39 2HD1 LEU 39 -7.569 13.236 2.154 214 HD13 LEU 39 3HD1 LEU 39 -7.146 14.761 1.374 215 HD21 LEU 39 1HD2 LEU 39 -11.025 14.418 3.044 216 HD22 LEU 39 2HD2 LEU 39 -9.991 12.989 3.070 217 HD23 LEU 39 3HD2 LEU 39 -10.605 13.601 1.540 218 H HIS 40 H HIS 40 -8.160 12.032 5.979 219 HA HIS 40 HA HIS 40 -5.520 11.245 4.890 220 HB2 HIS 40 2HB HIS 40 -5.865 11.538 7.423 221 HB3 HIS 40 1HB HIS 40 -7.000 10.207 7.339 222 HD1 HIS 40 HD1 HIS 40 -5.923 7.732 7.322 223 HD2 HIS 40 HD2 HIS 40 -3.155 10.855 7.099 224 HE1 HIS 40 HE1 HIS 40 -3.847 6.742 7.829 225 H GLU 41 H GLU 41 -5.495 8.721 4.487 226 HA GLU 41 HA GLU 41 -7.374 7.932 2.622 227 HB2 GLU 41 2HB GLU 41 -5.705 6.215 4.491 228 HB3 GLU 41 1HB GLU 41 -6.623 5.553 3.158 229 HG2 GLU 41 2HG GLU 41 -4.490 7.638 2.749 230 HG3 GLU 41 1HG GLU 41 -4.125 5.918 2.809 231 H GLU 42 H GLU 42 -7.349 7.069 6.023 232 HA GLU 42 HA GLU 42 -9.818 5.657 6.062 233 HB2 GLU 42 2HB GLU 42 -7.897 6.607 8.154 234 HB3 GLU 42 1HB GLU 42 -9.311 5.723 8.626 235 HG2 GLU 42 2HG GLU 42 -7.439 4.239 8.569 236 HG3 GLU 42 1HG GLU 42 -8.484 3.820 7.215 237 H SER 43 H SER 43 -9.979 8.659 5.366 238 HA SER 43 HA SER 43 -11.482 9.709 7.619 239 HB2 SER 43 2HB SER 43 -11.814 11.708 6.128 240 HB3 SER 43 1HB SER 43 -10.127 11.313 6.450 241 HG SER 43 HG SER 43 -9.877 10.593 4.448 242 H ASN 44 H ASN 44 -13.648 9.648 7.854 243 HA ASN 44 HA ASN 44 -15.201 8.258 5.873 244 HB2 ASN 44 2HB ASN 44 -15.645 7.941 8.335 245 HB3 ASN 44 1HB ASN 44 -16.203 9.607 8.409 246 HD21 ASN 44 1HD2 ASN 44 -17.575 7.105 8.967 247 HD22 ASN 44 2HD2 ASN 44 -18.992 7.090 7.969 248 H LEU 45 H LEU 45 -15.505 9.310 4.154 249 HA LEU 45 HA LEU 45 -15.675 12.109 3.941 250 HB2 LEU 45 2HB LEU 45 -16.164 9.919 1.975 251 HB3 LEU 45 1HB LEU 45 -16.296 11.623 1.577 252 HG LEU 45 HG LEU 45 -13.743 10.395 2.654 253 HD11 LEU 45 1HD1 LEU 45 -14.341 9.359 0.578 254 HD12 LEU 45 2HD1 LEU 45 -12.959 10.444 0.405 255 HD13 LEU 45 3HD1 LEU 45 -14.556 10.946 -0.170 256 HD21 LEU 45 1HD2 LEU 45 -14.348 13.030 1.273 257 HD22 LEU 45 2HD2 LEU 45 -12.762 12.460 1.748 258 HD23 LEU 45 3HD2 LEU 45 -13.961 12.837 2.980 259 H ILE 46 H ILE 46 -18.165 9.854 4.619 260 HA ILE 46 HA ILE 46 -20.243 11.563 3.562 261 HB ILE 46 HB ILE 46 -20.417 9.143 5.394 262 HG12 ILE 46 2HG1 ILE 46 -19.721 8.593 3.126 263 HG13 ILE 46 1HG1 ILE 46 -21.349 7.990 3.420 264 HG21 ILE 46 1HG2 ILE 46 -22.698 10.669 4.135 265 HG22 ILE 46 2HG2 ILE 46 -22.312 10.601 5.854 266 HG23 ILE 46 3HG2 ILE 46 -22.843 9.145 5.013 267 HD11 ILE 46 1HD1 ILE 46 -20.545 10.409 1.833 268 HD12 ILE 46 2HD1 ILE 46 -22.211 9.947 2.192 269 HD13 ILE 46 3HD1 ILE 46 -21.188 8.882 1.222 270 H GLN 47 H GLN 47 -18.616 11.005 6.559 271 HA GLN 47 HA GLN 47 -20.308 12.771 8.073 272 HB2 GLN 47 2HB GLN 47 -17.612 11.560 8.720 273 HB3 GLN 47 1HB GLN 47 -18.549 12.537 9.841 274 HG2 GLN 47 2HG GLN 47 -20.367 10.873 9.743 275 HG3 GLN 47 1HG GLN 47 -19.373 9.914 8.641 276 HE21 GLN 47 1HE2 GLN 47 -20.453 9.326 11.324 277 HE22 GLN 47 2HE2 GLN 47 -19.070 8.871 12.264 278 H ALA 48 H ALA 48 -17.538 12.997 6.095 279 HA ALA 48 HA ALA 48 -16.657 15.572 6.907 280 HB1 ALA 48 1HB ALA 48 -15.364 15.554 4.825 281 HB2 ALA 48 2HB ALA 48 -16.283 14.163 4.263 282 HB3 ALA 48 3HB ALA 48 -15.218 14.006 5.660 283 H GLY 49 H GLY 49 -19.117 14.369 4.779 284 HA2 GLY 49 2HA GLY 49 -21.058 15.735 4.550 285 HA3 GLY 49 1HA GLY 49 -20.017 17.145 4.447 286 H LEU 50 H LEU 50 -19.457 14.175 2.595 287 HA LEU 50 HA LEU 50 -19.707 15.653 0.115 288 HB2 LEU 50 2HB LEU 50 -19.395 12.705 0.587 289 HB3 LEU 50 1HB LEU 50 -19.418 13.467 -0.981 290 HG LEU 50 HG LEU 50 -17.293 13.851 1.139 291 HD11 LEU 50 1HD1 LEU 50 -17.396 11.698 -0.036 292 HD12 LEU 50 2HD1 LEU 50 -15.947 12.664 -0.423 293 HD13 LEU 50 3HD1 LEU 50 -17.327 12.614 -1.545 294 HD21 LEU 50 1HD2 LEU 50 -17.732 15.855 -0.375 295 HD22 LEU 50 2HD2 LEU 50 -17.194 14.798 -1.714 296 HD23 LEU 50 3HD2 LEU 50 -16.123 15.164 -0.350 297 H ASP 51 H ASP 51 -21.691 16.375 -0.281 298 HA ASP 51 HA ASP 51 -24.052 14.868 0.039 299 HB2 ASP 51 2HB ASP 51 -25.151 16.490 -1.435 300 HB3 ASP 51 1HB ASP 51 -24.081 17.351 -0.339 301 H SER 52 H SER 52 -25.375 13.978 -1.792 302 HA SER 52 HA SER 52 -23.791 12.025 -2.955 303 HB2 SER 52 2HB SER 52 -26.591 12.555 -3.824 304 HB3 SER 52 1HB SER 52 -25.596 11.073 -3.697 305 HG SER 52 HG SER 52 -25.794 11.019 -1.586 306 H ILE 53 H ILE 53 -24.739 15.158 -4.293 307 HA ILE 53 HA ILE 53 -24.357 14.165 -6.958 308 HB ILE 53 HB ILE 53 -24.329 17.077 -6.105 309 HG12 ILE 53 2HG1 ILE 53 -26.521 16.042 -5.604 310 HG13 ILE 53 1HG1 ILE 53 -26.659 17.169 -6.946 311 HG21 ILE 53 1HG2 ILE 53 -24.680 15.838 -8.863 312 HG22 ILE 53 2HG2 ILE 53 -23.193 16.498 -8.290 313 HG23 ILE 53 3HG2 ILE 53 -24.593 17.568 -8.510 314 HD11 ILE 53 1HD1 ILE 53 -26.651 15.277 -8.513 315 HD12 ILE 53 2HD1 ILE 53 -27.971 15.174 -7.350 316 HD13 ILE 53 3HD1 ILE 53 -26.542 14.162 -7.149 317 H ARG 54 H ARG 54 -22.647 16.068 -4.576 318 HA ARG 54 HA ARG 54 -20.267 16.584 -5.910 319 HB2 ARG 54 2HB ARG 54 -21.088 17.387 -3.654 320 HB3 ARG 54 1HB ARG 54 -20.563 15.847 -3.005 321 HG2 ARG 54 2HG ARG 54 -18.270 16.357 -3.596 322 HG3 ARG 54 1HG ARG 54 -18.784 17.877 -4.335 323 HD2 ARG 54 2HD ARG 54 -18.950 17.094 -1.433 324 HD3 ARG 54 1HD ARG 54 -17.982 18.391 -2.137 325 HE ARG 54 HE ARG 54 -20.937 18.402 -2.181 326 HH11 ARG 54 1HH1 ARG 54 -17.914 20.177 -1.524 327 HH12 ARG 54 2HH1 ARG 54 -18.711 21.578 -1.047 328 HH21 ARG 54 1HH2 ARG 54 -21.963 20.160 -1.596 329 HH22 ARG 54 2HH2 ARG 54 -21.200 21.615 -1.085 330 H LEU 55 H LEU 55 -21.395 13.850 -4.125 331 HA LEU 55 HA LEU 55 -19.120 12.225 -4.217 332 HB2 LEU 55 2HB LEU 55 -21.720 12.158 -3.142 333 HB3 LEU 55 1HB LEU 55 -21.641 10.768 -4.147 334 HG LEU 55 HG LEU 55 -19.624 11.384 -1.979 335 HD11 LEU 55 1HD1 LEU 55 -21.812 10.940 -1.049 336 HD12 LEU 55 2HD1 LEU 55 -20.707 9.599 -0.740 337 HD13 LEU 55 3HD1 LEU 55 -21.930 9.463 -1.998 338 HD21 LEU 55 1HD2 LEU 55 -18.702 10.028 -3.741 339 HD22 LEU 55 2HD2 LEU 55 -20.078 8.911 -3.631 340 HD23 LEU 55 3HD2 LEU 55 -18.954 9.066 -2.283 341 H MET 56 H MET 56 -22.102 12.172 -6.236 342 HA MET 56 HA MET 56 -21.058 10.053 -7.819 343 HB2 MET 56 2HB MET 56 -23.035 10.073 -9.098 344 HB3 MET 56 1HB MET 56 -23.498 10.366 -7.431 345 HG2 MET 56 2HG MET 56 -23.687 12.746 -7.931 346 HG3 MET 56 1HG MET 56 -23.292 12.421 -9.613 347 HE1 MET 56 HE1 MET 56 -24.816 9.549 -9.905 348 HE2 MET 56 HE2 MET 56 -24.761 10.782 -11.161 349 HE3 MET 56 HE3 MET 56 -26.311 10.094 -10.667 350 H ARG 57 H ARG 57 -20.718 13.455 -8.095 351 HA ARG 57 HA ARG 57 -20.313 13.799 -10.786 352 HB2 ARG 57 2HB ARG 57 -18.530 14.906 -8.619 353 HB3 ARG 57 1HB ARG 57 -18.541 15.470 -10.267 354 HG2 ARG 57 2HG ARG 57 -20.737 16.390 -10.018 355 HG3 ARG 57 1HG ARG 57 -20.909 15.648 -8.419 356 HD2 ARG 57 2HD ARG 57 -19.001 17.831 -9.240 357 HD3 ARG 57 1HD ARG 57 -20.292 17.916 -8.032 358 HE ARG 57 HE ARG 57 -18.656 15.856 -7.262 359 HH11 ARG 57 1HH1 ARG 57 -18.457 19.383 -7.293 360 HH12 ARG 57 2HH1 ARG 57 -17.046 19.406 -6.316 361 HH21 ARG 57 1HH2 ARG 57 -16.708 15.909 -6.067 362 HH22 ARG 57 2HH2 ARG 57 -15.994 17.433 -5.723 363 H TRP 58 H TRP 58 -18.323 12.428 -8.245 364 HA TRP 58 HA TRP 58 -15.845 12.220 -9.527 365 HB2 TRP 58 2HB TRP 58 -16.980 10.842 -7.105 366 HB3 TRP 58 1HB TRP 58 -15.336 10.598 -7.664 367 HD1 TRP 58 HD1 TRP 58 -16.916 12.375 -4.958 368 HE1 TRP 58 HE1 TRP 58 -15.621 14.369 -4.240 369 HE3 TRP 58 HE3 TRP 58 -13.991 13.011 -9.158 370 HZ2 TRP 58 HZ2 TRP 58 -13.567 16.092 -5.285 371 HZ3 TRP 58 HZ3 TRP 58 -12.413 14.879 -9.181 372 HH2 TRP 58 HH2 TRP 58 -12.213 16.381 -7.287 373 H LEU 59 H LEU 59 -18.661 10.244 -9.639 374 HA LEU 59 HA LEU 59 -17.598 7.706 -10.121 375 HB2 LEU 59 2HB LEU 59 -19.974 8.122 -9.681 376 HB3 LEU 59 1HB LEU 59 -20.117 8.946 -11.219 377 HG LEU 59 HG LEU 59 -19.641 6.844 -12.377 378 HD11 LEU 59 1HD1 LEU 59 -19.772 5.634 -9.621 379 HD12 LEU 59 2HD1 LEU 59 -18.349 5.714 -10.662 380 HD13 LEU 59 3HD1 LEU 59 -19.737 4.738 -11.139 381 HD21 LEU 59 1HD2 LEU 59 -21.797 5.782 -11.916 382 HD22 LEU 59 2HD2 LEU 59 -21.935 7.538 -12.011 383 HD23 LEU 59 3HD2 LEU 59 -21.946 6.735 -10.439 384 H HIS 60 H HIS 60 -18.241 10.351 -12.329 385 HA HIS 60 HA HIS 60 -17.440 8.848 -14.655 386 HB2 HIS 60 2HB HIS 60 -19.156 10.647 -14.784 387 HB3 HIS 60 1HB HIS 60 -17.931 11.826 -14.338 388 HD1 HIS 60 HD1 HIS 60 -16.795 12.951 -16.299 389 HD2 HIS 60 HD2 HIS 60 -18.520 9.316 -17.329 390 HE1 HIS 60 HE1 HIS 60 -16.515 12.718 -18.792 391 H TRP 61 H TRP 61 -16.019 10.986 -12.352 392 HA TRP 61 HA TRP 61 -13.737 11.829 -13.784 393 HB2 TRP 61 2HB TRP 61 -14.739 12.778 -11.604 394 HB3 TRP 61 1HB TRP 61 -13.887 11.475 -10.789 395 HD1 TRP 61 HD1 TRP 61 -13.426 14.902 -12.167 396 HE1 TRP 61 HE1 TRP 61 -10.998 15.674 -11.872 397 HE3 TRP 61 HE3 TRP 61 -11.353 10.473 -10.760 398 HZ2 TRP 61 HZ2 TRP 61 -8.537 14.554 -11.152 399 HZ3 TRP 61 HZ3 TRP 61 -8.960 10.413 -10.280 400 HH2 TRP 61 HH2 TRP 61 -7.590 12.392 -10.478 401 H PHE 62 H PHE 62 -14.375 9.093 -11.661 402 HA PHE 62 HA PHE 62 -11.801 7.941 -11.613 403 HB2 PHE 62 2HB PHE 62 -14.542 6.755 -11.334 404 HB3 PHE 62 1HB PHE 62 -13.103 5.750 -11.303 405 HD1 PHE 62 HD1 PHE 62 -11.398 6.200 -9.634 406 HD2 PHE 62 HD2 PHE 62 -15.246 7.915 -9.441 407 HE1 PHE 62 HE1 PHE 62 -11.096 6.607 -7.201 408 HE2 PHE 62 HE2 PHE 62 -14.963 8.347 -7.041 409 HZ PHE 62 HZ PHE 62 -12.864 7.684 -5.932 410 H ARG 63 H ARG 63 -14.556 7.253 -13.660 411 HA ARG 63 HA ARG 63 -13.222 5.238 -15.117 412 HB2 ARG 63 2HB ARG 63 -15.831 6.661 -15.727 413 HB3 ARG 63 1HB ARG 63 -15.276 5.168 -16.495 414 HG2 ARG 63 2HG ARG 63 -15.298 4.031 -14.333 415 HG3 ARG 63 1HG ARG 63 -15.824 5.513 -13.550 416 HD2 ARG 63 2HD ARG 63 -17.912 5.438 -14.870 417 HD3 ARG 63 1HD ARG 63 -17.373 3.924 -15.606 418 HE ARG 63 HE ARG 63 -17.445 3.952 -12.712 419 HH11 ARG 63 1HH1 ARG 63 -19.291 3.136 -15.619 420 HH12 ARG 63 2HH1 ARG 63 -20.329 2.031 -14.844 421 HH21 ARG 63 1HH2 ARG 63 -18.826 2.441 -11.631 422 HH22 ARG 63 2HH2 ARG 63 -20.045 1.599 -12.426 423 H LYS 64 H LYS 64 -13.211 8.571 -15.343 424 HA LYS 64 HA LYS 64 -12.603 9.226 -17.945 425 HB2 LYS 64 2HB LYS 64 -12.908 10.891 -16.216 426 HB3 LYS 64 1HB LYS 64 -11.542 10.290 -15.318 427 HG2 LYS 64 2HG LYS 64 -11.211 11.543 -18.032 428 HG3 LYS 64 1HG LYS 64 -11.345 12.520 -16.582 429 HD2 LYS 64 2HD LYS 64 -9.228 10.383 -16.981 430 HD3 LYS 64 1HD LYS 64 -8.986 12.066 -17.413 431 HE2 LYS 64 2HE LYS 64 -7.940 11.795 -15.295 432 HE3 LYS 64 1HE LYS 64 -9.451 12.617 -14.959 433 HZ1 LYS 64 1HZ LYS 64 -9.096 9.680 -14.635 434 HZ2 LYS 64 2HZ LYS 64 -10.313 10.610 -13.900 435 HZ3 LYS 64 3HZ LYS 64 -8.689 10.747 -13.470 436 H ASN 65 H ASN 65 -10.486 7.699 -15.530 437 HA ASN 65 HA ASN 65 -8.414 7.563 -17.630 438 HB2 ASN 65 2HB ASN 65 -7.798 8.977 -15.619 439 HB3 ASN 65 1HB ASN 65 -7.887 7.518 -14.638 440 HD21 ASN 65 1HD2 ASN 65 -5.703 7.772 -14.080 441 HD22 ASN 65 2HD2 ASN 65 -4.430 7.405 -15.195 442 H GLY 66 H GLY 66 -10.652 5.828 -17.117 443 HA2 GLY 66 2HA GLY 66 -11.028 3.587 -17.374 444 HA3 GLY 66 1HA GLY 66 -9.288 3.363 -17.431 445 H TYR 67 H TYR 67 -10.982 4.820 -14.716 446 HA TYR 67 HA TYR 67 -10.150 2.501 -13.219 447 HB2 TYR 67 2HB TYR 67 -10.936 5.217 -12.189 448 HB3 TYR 67 1HB TYR 67 -10.594 3.832 -11.147 449 HD1 TYR 67 HD1 TYR 67 -9.227 6.633 -12.474 450 HD2 TYR 67 HD2 TYR 67 -8.345 2.555 -11.889 451 HE1 TYR 67 HE1 TYR 67 -6.798 7.127 -12.713 452 HE2 TYR 67 HE2 TYR 67 -5.939 3.003 -12.088 453 HH TYR 67 HH TYR 67 -4.648 6.109 -12.002 454 H ARG 68 H ARG 68 -11.674 2.166 -11.244 455 HA ARG 68 HA ARG 68 -14.249 1.643 -12.511 456 HB2 ARG 68 2HB ARG 68 -14.073 -0.866 -12.145 457 HB3 ARG 68 1HB ARG 68 -13.205 -0.172 -13.502 458 HG2 ARG 68 2HG ARG 68 -11.340 -1.114 -12.787 459 HG3 ARG 68 1HG ARG 68 -11.441 -0.201 -11.282 460 HD2 ARG 68 2HD ARG 68 -12.778 -2.874 -11.785 461 HD3 ARG 68 1HD ARG 68 -11.236 -2.670 -10.961 462 HE ARG 68 HE ARG 68 -13.267 -1.098 -9.781 463 HH11 ARG 68 1HH1 ARG 68 -11.813 -4.316 -9.747 464 HH12 ARG 68 2HH1 ARG 68 -12.572 -4.826 -8.321 465 HH21 ARG 68 1HH2 ARG 68 -14.302 -1.745 -7.811 466 HH22 ARG 68 2HH2 ARG 68 -14.050 -3.288 -7.152 467 H LEU 69 H LEU 69 -15.570 2.340 -11.090 468 HA LEU 69 HA LEU 69 -16.224 0.611 -9.020 469 HB2 LEU 69 2HB LEU 69 -16.095 2.241 -7.142 470 HB3 LEU 69 1HB LEU 69 -14.537 1.697 -7.709 471 HG LEU 69 HG LEU 69 -14.487 3.910 -9.032 472 HD11 LEU 69 1HD1 LEU 69 -15.703 5.760 -8.000 473 HD12 LEU 69 2HD1 LEU 69 -16.595 4.606 -7.004 474 HD13 LEU 69 3HD1 LEU 69 -16.778 4.585 -8.756 475 HD21 LEU 69 1HD2 LEU 69 -12.993 3.442 -7.246 476 HD22 LEU 69 2HD2 LEU 69 -14.231 3.765 -6.046 477 HD23 LEU 69 3HD2 LEU 69 -13.601 5.085 -7.038 478 H THR 70 H THR 70 -18.262 1.216 -8.072 479 HA THR 70 HA THR 70 -19.613 3.280 -9.580 480 HB THR 70 HB THR 70 -20.838 0.867 -8.172 481 HG1 THR 70 1HG THR 70 -19.837 -0.097 -9.675 482 HG21 THR 70 1HG2 THR 70 -22.757 1.320 -9.669 483 HG22 THR 70 2HG2 THR 70 -21.902 2.707 -10.346 484 HG23 THR 70 3HG2 THR 70 -22.405 2.717 -8.656 485 H LEU 71 H LEU 71 -21.470 4.107 -8.007 486 HA LEU 71 HA LEU 71 -19.982 5.241 -5.847 487 HB2 LEU 71 2HB LEU 71 -21.962 6.110 -7.427 488 HB3 LEU 71 1HB LEU 71 -22.771 5.616 -5.942 489 HG LEU 71 HG LEU 71 -21.262 7.049 -4.634 490 HD11 LEU 71 1HD1 LEU 71 -19.478 7.089 -6.264 491 HD12 LEU 71 2HD1 LEU 71 -19.971 8.742 -5.865 492 HD13 LEU 71 3HD1 LEU 71 -20.549 7.946 -7.360 493 HD21 LEU 71 1HD2 LEU 71 -23.508 7.812 -5.225 494 HD22 LEU 71 2HD2 LEU 71 -22.892 8.430 -6.759 495 HD23 LEU 71 3HD2 LEU 71 -22.361 9.155 -5.239 496 H ARG 72 H ARG 72 -22.226 2.646 -6.149 497 HA ARG 72 HA ARG 72 -23.419 2.859 -3.607 498 HB2 ARG 72 2HB ARG 72 -24.516 1.499 -5.318 499 HB3 ARG 72 1HB ARG 72 -23.116 0.450 -5.418 500 HG2 ARG 72 2HG ARG 72 -24.983 -0.577 -4.195 501 HG3 ARG 72 1HG ARG 72 -23.525 -0.414 -3.208 502 HD2 ARG 72 2HD ARG 72 -24.426 1.702 -2.365 503 HD3 ARG 72 1HD ARG 72 -25.933 1.355 -3.211 504 HE ARG 72 HE ARG 72 -26.276 -0.496 -1.754 505 HH11 ARG 72 1HH1 ARG 72 -23.407 1.358 -0.821 506 HH12 ARG 72 2HH1 ARG 72 -23.584 1.194 0.845 507 HH21 ARG 72 1HH2 ARG 72 -26.521 -0.863 0.633 508 HH22 ARG 72 2HH2 ARG 72 -25.392 -0.160 1.694 509 H GLU 73 H GLU 73 -20.514 1.662 -4.743 510 HA GLU 73 HA GLU 73 -19.835 0.052 -2.429 511 HB2 GLU 73 2HB GLU 73 -17.962 1.119 -4.549 512 HB3 GLU 73 1HB GLU 73 -17.606 -0.156 -3.393 513 HG2 GLU 73 2HG GLU 73 -18.128 -1.441 -5.185 514 HG3 GLU 73 1HG GLU 73 -19.728 -1.189 -4.447 515 H LEU 74 H LEU 74 -19.197 3.129 -3.601 516 HA LEU 74 HA LEU 74 -17.400 3.990 -1.555 517 HB2 LEU 74 2HB LEU 74 -19.248 5.831 -3.078 518 HB3 LEU 74 1HB LEU 74 -17.736 6.256 -2.305 519 HG LEU 74 HG LEU 74 -18.157 4.713 -4.847 520 HD11 LEU 74 1HD1 LEU 74 -16.523 7.158 -4.267 521 HD12 LEU 74 2HD1 LEU 74 -18.157 7.180 -4.880 522 HD13 LEU 74 3HD1 LEU 74 -16.865 6.460 -5.853 523 HD21 LEU 74 1HD2 LEU 74 -15.576 5.034 -3.321 524 HD22 LEU 74 2HD2 LEU 74 -15.740 4.395 -4.955 525 HD23 LEU 74 3HD2 LEU 74 -16.447 3.523 -3.596 526 H TYR 75 H TYR 75 -20.829 3.894 -1.880 527 HA TYR 75 HA TYR 75 -21.355 5.146 0.663 528 HB2 TYR 75 2HB TYR 75 -23.010 4.102 -1.549 529 HB3 TYR 75 1HB TYR 75 -23.735 4.020 0.057 530 HD1 TYR 75 HD1 TYR 75 -23.197 6.027 -2.818 531 HD2 TYR 75 HD2 TYR 75 -23.720 6.219 1.396 532 HE1 TYR 75 HE1 TYR 75 -23.916 8.374 -3.011 533 HE2 TYR 75 HE2 TYR 75 -24.435 8.554 1.217 534 HH TYR 75 HH TYR 75 -24.122 10.409 -0.325 535 H ALA 76 H ALA 76 -20.080 2.261 -0.038 536 HA ALA 76 HA ALA 76 -21.565 0.799 2.026 537 HB1 ALA 76 1HB ALA 76 -20.324 -1.195 1.264 538 HB2 ALA 76 2HB ALA 76 -19.447 -0.200 0.102 539 HB3 ALA 76 3HB ALA 76 -21.185 -0.435 -0.075 540 H ALA 77 H ALA 77 -18.309 1.700 1.039 541 HA ALA 77 HA ALA 77 -17.616 1.856 3.871 542 HB1 ALA 77 1HB ALA 77 -15.793 1.041 1.589 543 HB2 ALA 77 2HB ALA 77 -16.411 -0.032 2.845 544 HB3 ALA 77 3HB ALA 77 -15.295 1.269 3.266 545 HA PRO 78 HA PRO 78 -17.248 5.875 1.887 546 HB2 PRO 78 2HB PRO 78 -18.193 7.364 3.935 547 HB3 PRO 78 1HB PRO 78 -19.254 6.516 2.787 548 HG2 PRO 78 2HG PRO 78 -18.668 5.875 5.586 549 HG3 PRO 78 1HG PRO 78 -20.075 5.456 4.595 550 HD2 PRO 78 2HD PRO 78 -17.899 3.770 5.246 551 HD3 PRO 78 1HD PRO 78 -19.217 3.437 4.107 552 H THR 79 H THR 79 -15.006 5.602 1.966 553 HA THR 79 HA THR 79 -13.661 7.440 3.736 554 HB THR 79 HB THR 79 -11.812 5.603 3.923 555 HG1 THR 79 1HG THR 79 -14.127 4.106 3.352 556 HG21 THR 79 1HG2 THR 79 -12.968 6.526 5.869 557 HG22 THR 79 2HG2 THR 79 -12.716 4.786 6.078 558 HG23 THR 79 3HG2 THR 79 -14.308 5.412 5.618 559 H LEU 80 H LEU 80 -11.761 8.213 2.667 560 HA LEU 80 HA LEU 80 -11.656 8.300 -0.084 561 HB2 LEU 80 2HB LEU 80 -9.447 8.371 1.880 562 HB3 LEU 80 1HB LEU 80 -9.226 8.608 0.157 563 HG LEU 80 HG LEU 80 -10.986 10.382 1.841 564 HD11 LEU 80 1HD1 LEU 80 -8.729 10.406 2.651 565 HD12 LEU 80 2HD1 LEU 80 -9.023 11.871 1.676 566 HD13 LEU 80 3HD1 LEU 80 -8.136 10.502 0.997 567 HD21 LEU 80 1HD2 LEU 80 -9.638 10.799 -0.824 568 HD22 LEU 80 2HD2 LEU 80 -10.766 11.889 -0.035 569 HD23 LEU 80 3HD2 LEU 80 -11.319 10.338 -0.662 570 H ALA 81 H ALA 81 -9.899 6.325 2.158 571 HA ALA 81 HA ALA 81 -8.206 4.796 0.724 572 HB1 ALA 81 1HB ALA 81 -8.341 3.114 2.444 573 HB2 ALA 81 2HB ALA 81 -9.914 3.721 2.951 574 HB3 ALA 81 3HB ALA 81 -8.479 4.714 3.184 575 H ALA 82 H ALA 82 -11.661 4.121 1.139 576 HA ALA 82 HA ALA 82 -11.606 1.645 -0.190 577 HB1 ALA 82 1HB ALA 82 -14.022 1.875 -0.416 578 HB2 ALA 82 2HB ALA 82 -13.912 3.567 0.075 579 HB3 ALA 82 3HB ALA 82 -13.489 2.287 1.215 580 H TRP 83 H TRP 83 -12.387 4.899 -1.388 581 HA TRP 83 HA TRP 83 -13.055 4.073 -4.049 582 HB2 TRP 83 2HB TRP 83 -11.891 6.865 -3.650 583 HB3 TRP 83 1HB TRP 83 -13.168 6.271 -4.677 584 HD1 TRP 83 HD1 TRP 83 -14.029 5.351 -1.210 585 HE1 TRP 83 HE1 TRP 83 -15.810 6.954 -0.354 586 HE3 TRP 83 HE3 TRP 83 -13.647 8.953 -4.797 587 HZ2 TRP 83 HZ2 TRP 83 -16.907 9.447 -1.087 588 HZ3 TRP 83 HZ3 TRP 83 -15.075 10.907 -4.639 589 HH2 TRP 83 HH2 TRP 83 -16.669 11.160 -2.832 590 H ASN 84 H ASN 84 -10.213 5.068 -2.402 591 HA ASN 84 HA ASN 84 -8.417 5.296 -4.545 592 HB2 ASN 84 2HB ASN 84 -7.911 6.359 -2.470 593 HB3 ASN 84 1HB ASN 84 -8.042 4.845 -1.588 594 HD21 ASN 84 1HD2 ASN 84 -6.088 6.735 -3.763 595 HD22 ASN 84 2HD2 ASN 84 -4.649 5.792 -3.540 596 H GLN 85 H GLN 85 -8.916 2.620 -2.228 597 HA GLN 85 HA GLN 85 -7.057 0.887 -3.477 598 HB2 GLN 85 2HB GLN 85 -9.364 0.253 -1.630 599 HB3 GLN 85 1HB GLN 85 -8.116 -0.895 -2.100 600 HG2 GLN 85 2HG GLN 85 -6.417 0.475 -1.028 601 HG3 GLN 85 1HG GLN 85 -7.637 1.683 -0.628 602 HE21 GLN 85 1HE2 GLN 85 -7.255 1.527 1.568 603 HE22 GLN 85 2HE2 GLN 85 -7.737 0.149 2.486 604 H LEU 86 H LEU 86 -10.397 1.561 -4.046 605 HA LEU 86 HA LEU 86 -10.980 -0.645 -5.654 606 HB2 LEU 86 2HB LEU 86 -12.162 2.107 -5.584 607 HB3 LEU 86 1HB LEU 86 -12.791 0.820 -6.600 608 HG LEU 86 HG LEU 86 -12.580 0.661 -3.590 609 HD11 LEU 86 1HD1 LEU 86 -14.953 1.199 -5.321 610 HD12 LEU 86 2HD1 LEU 86 -14.172 2.340 -4.204 611 HD13 LEU 86 3HD1 LEU 86 -14.994 0.923 -3.573 612 HD21 LEU 86 1HD2 LEU 86 -13.937 -1.135 -5.599 613 HD22 LEU 86 2HD2 LEU 86 -14.075 -1.270 -3.849 614 HD23 LEU 86 3HD2 LEU 86 -12.516 -1.533 -4.625 615 H MET 87 H MET 87 -9.048 2.136 -6.262 616 HA MET 87 HA MET 87 -9.075 1.861 -9.120 617 HB2 MET 87 2HB MET 87 -7.263 3.401 -7.276 618 HB3 MET 87 1HB MET 87 -6.930 3.260 -8.992 619 HG2 MET 87 2HG MET 87 -9.209 4.226 -9.395 620 HG3 MET 87 1HG MET 87 -9.270 4.577 -7.665 621 HE1 MET 87 HE1 MET 87 -9.456 6.523 -10.196 622 HE2 MET 87 HE2 MET 87 -8.613 8.005 -9.632 623 HE3 MET 87 HE3 MET 87 -9.725 7.154 -8.582 624 H LEU 88 H LEU 88 -6.859 0.920 -6.547 625 HA LEU 88 HA LEU 88 -5.128 -0.521 -8.344 626 HB2 LEU 88 2HB LEU 88 -5.390 -0.821 -5.323 627 HB3 LEU 88 1HB LEU 88 -4.124 -1.545 -6.290 628 HG LEU 88 HG LEU 88 -3.031 0.315 -5.298 629 HD11 LEU 88 1HD1 LEU 88 -3.933 1.278 -7.933 630 HD12 LEU 88 2HD1 LEU 88 -2.552 0.241 -7.558 631 HD13 LEU 88 3HD1 LEU 88 -2.594 1.902 -6.974 632 HD21 LEU 88 1HD2 LEU 88 -5.457 2.007 -5.907 633 HD22 LEU 88 2HD2 LEU 88 -3.976 2.541 -5.114 634 HD23 LEU 88 3HD2 LEU 88 -5.025 1.370 -4.319 635 H SER 89 H SER 89 -8.153 -1.186 -7.232 636 HA SER 89 HA SER 89 -7.955 -4.048 -7.450 637 HB2 SER 89 2HB SER 89 -10.375 -2.241 -7.311 638 HB3 SER 89 1HB SER 89 -10.404 -3.997 -7.179 639 HG SER 89 HG SER 89 -8.965 -2.277 -5.415 640 H ARG 90 H ARG 90 -7.537 -1.912 -9.836 641 HA ARG 90 HA ARG 90 -9.312 -3.313 -11.662 642 HB2 ARG 90 2HB ARG 90 -8.790 -1.624 -13.424 643 HB3 ARG 90 1HB ARG 90 -9.496 -0.941 -11.979 644 HG2 ARG 90 2HG ARG 90 -7.893 0.594 -12.604 645 HG3 ARG 90 1HG ARG 90 -7.111 -0.322 -11.324 646 HD2 ARG 90 2HD ARG 90 -6.008 -1.677 -13.103 647 HD3 ARG 90 1HD ARG 90 -6.682 -0.559 -14.292 648 HE ARG 90 HE ARG 90 -4.721 0.107 -12.207 649 HH11 ARG 90 1HH1 ARG 90 -6.345 1.021 -15.225 650 HH12 ARG 90 2HH1 ARG 90 -5.220 2.240 -15.609 651 HH21 ARG 90 1HH2 ARG 90 -3.261 1.689 -12.677 652 HH22 ARG 90 2HH2 ARG 90 -3.343 2.649 -14.093 653 H SER 91 H SER 91 -5.974 -3.192 -10.884 654 HA SER 91 HA SER 91 -5.537 -5.581 -12.308 655 HB2 SER 91 2HB SER 91 -3.805 -4.706 -13.885 656 HB3 SER 91 1HB SER 91 -5.401 -4.066 -14.266 657 HG SER 91 HG SER 91 -3.377 -2.728 -12.780 658 HA PRO 92 HA PRO 92 -2.233 -5.602 -9.263 659 HB2 PRO 92 2HB PRO 92 -0.379 -6.532 -11.406 660 HB3 PRO 92 1HB PRO 92 -0.748 -7.301 -9.848 661 HG2 PRO 92 2HG PRO 92 -1.677 -8.342 -12.079 662 HG3 PRO 92 1HG PRO 92 -2.673 -8.293 -10.609 663 HD2 PRO 92 2HD PRO 92 -2.834 -6.569 -13.035 664 HD3 PRO 92 1HD PRO 92 -4.136 -7.238 -12.028 665 H GLU 93 H GLU 93 -1.335 -3.698 -8.679 666 HA GLU 93 HA GLU 93 0.416 -2.260 -10.386 667 HB2 GLU 93 2HB GLU 93 -1.966 -1.435 -10.864 668 HB3 GLU 93 1HB GLU 93 -2.090 -1.034 -9.161 669 HG2 GLU 93 2HG GLU 93 -0.105 0.467 -9.474 670 HG3 GLU 93 1HG GLU 93 -0.238 0.172 -11.202 Start of MODEL 5 1 H ASP 14 1H ASP 14 -4.091 3.054 -3.596 2 HA ASP 14 HA ASP 14 -1.530 1.647 -3.846 3 HB2 ASP 14 2HB ASP 14 -3.181 0.586 -5.299 4 HB3 ASP 14 1HB ASP 14 -3.792 2.151 -5.817 5 H ASN 15 H ASN 15 -0.285 2.944 -5.661 6 HA ASN 15 HA ASN 15 -1.089 5.704 -5.778 7 HB2 ASN 15 2HB ASN 15 0.447 5.245 -3.692 8 HB3 ASN 15 1HB ASN 15 1.744 5.231 -4.890 9 HD21 ASN 15 1HD2 ASN 15 1.282 7.131 -2.714 10 HD22 ASN 15 2HD2 ASN 15 1.072 8.677 -3.467 11 H ARG 16 H ARG 16 -0.700 3.299 -7.588 12 HA ARG 16 HA ARG 16 1.088 4.749 -9.165 13 HB2 ARG 16 2HB ARG 16 1.391 2.685 -10.739 14 HB3 ARG 16 1HB ARG 16 2.282 2.828 -9.253 15 HG2 ARG 16 2HG ARG 16 1.597 0.579 -9.440 16 HG3 ARG 16 1HG ARG 16 0.619 1.385 -8.197 17 HD2 ARG 16 2HD ARG 16 -0.755 -0.091 -9.670 18 HD3 ARG 16 1HD ARG 16 -1.133 1.641 -9.600 19 HE ARG 16 HE ARG 16 0.328 1.743 -11.722 20 HH11 ARG 16 1HH1 ARG 16 -1.983 -0.976 -11.204 21 HH12 ARG 16 2HH1 ARG 16 -2.197 -1.171 -12.895 22 HH21 ARG 16 1HH2 ARG 16 -0.087 1.357 -14.000 23 HH22 ARG 16 2HH2 ARG 16 -1.181 0.139 -14.416 24 H HIS 17 H HIS 17 -1.774 2.852 -10.258 25 HA HIS 17 HA HIS 17 -2.257 5.125 -11.904 26 HB2 HIS 17 2HB HIS 17 -3.544 2.444 -11.675 27 HB3 HIS 17 1HB HIS 17 -4.578 3.773 -12.196 28 HD1 HIS 17 HD1 HIS 17 -3.881 1.480 -14.237 29 HD2 HIS 17 HD2 HIS 17 -1.766 5.058 -13.860 30 HE1 HIS 17 HE1 HIS 17 -2.794 1.907 -16.446 31 H ALA 18 H ALA 18 -3.090 3.953 -8.824 32 HA ALA 18 HA ALA 18 -5.223 5.715 -8.375 33 HB1 ALA 18 1HB ALA 18 -3.396 4.433 -6.335 34 HB2 ALA 18 2HB ALA 18 -4.923 3.762 -6.956 35 HB3 ALA 18 3HB ALA 18 -4.931 5.234 -6.002 36 H ALA 19 H ALA 19 -1.916 6.293 -8.715 37 HA ALA 19 HA ALA 19 -1.563 8.621 -7.190 38 HB1 ALA 19 1HB ALA 19 0.279 7.511 -8.388 39 HB2 ALA 19 2HB ALA 19 0.176 9.221 -8.810 40 HB3 ALA 19 3HB ALA 19 -0.434 7.998 -9.925 41 H ASP 20 H ASP 20 -3.327 8.039 -10.174 42 HA ASP 20 HA ASP 20 -3.748 10.758 -10.930 43 HB2 ASP 20 2HB ASP 20 -4.071 8.939 -12.546 44 HB3 ASP 20 1HB ASP 20 -5.334 8.244 -11.540 45 H TYR 21 H TYR 21 -5.301 8.487 -8.838 46 HA TYR 21 HA TYR 21 -7.675 9.860 -8.222 47 HB2 TYR 21 2HB TYR 21 -7.318 7.501 -7.607 48 HB3 TYR 21 1HB TYR 21 -6.046 7.973 -6.494 49 HD1 TYR 21 HD1 TYR 21 -6.583 8.575 -4.210 50 HD2 TYR 21 HD2 TYR 21 -9.669 8.252 -7.147 51 HE1 TYR 21 HE1 TYR 21 -8.223 8.760 -2.512 52 HE2 TYR 21 HE2 TYR 21 -11.332 8.468 -5.386 53 HH TYR 21 HH TYR 21 -11.538 8.174 -2.965 54 H GLN 22 H GLN 22 -4.414 10.384 -7.299 55 HA GLN 22 HA GLN 22 -4.968 11.946 -5.022 56 HB2 GLN 22 2HB GLN 22 -2.535 11.785 -6.766 57 HB3 GLN 22 1HB GLN 22 -2.628 12.876 -5.387 58 HG2 GLN 22 2HG GLN 22 -3.037 10.983 -3.906 59 HG3 GLN 22 1HG GLN 22 -2.964 9.888 -5.281 60 HE21 GLN 22 1HE2 GLN 22 -0.758 11.233 -6.559 61 HE22 GLN 22 2HE2 GLN 22 0.632 10.847 -5.616 62 H GLN 23 H GLN 23 -5.124 12.639 -8.411 63 HA GLN 23 HA GLN 23 -5.280 15.445 -7.938 64 HB2 GLN 23 2HB GLN 23 -5.558 13.739 -10.367 65 HB3 GLN 23 1HB GLN 23 -6.288 15.347 -10.396 66 HG2 GLN 23 2HG GLN 23 -3.413 14.770 -9.715 67 HG3 GLN 23 1HG GLN 23 -3.998 15.375 -11.273 68 HE21 GLN 23 1HE2 GLN 23 -2.260 16.594 -9.131 69 HE22 GLN 23 2HE2 GLN 23 -3.025 18.075 -8.698 70 H LEU 24 H LEU 24 -7.535 12.833 -8.223 71 HA LEU 24 HA LEU 24 -9.894 14.370 -7.993 72 HB2 LEU 24 2HB LEU 24 -10.035 11.957 -8.467 73 HB3 LEU 24 1HB LEU 24 -9.236 11.558 -6.979 74 HG LEU 24 HG LEU 24 -11.956 12.863 -6.976 75 HD11 LEU 24 1HD1 LEU 24 -12.903 10.613 -6.884 76 HD12 LEU 24 2HD1 LEU 24 -11.303 9.926 -7.167 77 HD13 LEU 24 3HD1 LEU 24 -12.081 10.898 -8.417 78 HD21 LEU 24 1HD2 LEU 24 -10.553 10.994 -5.051 79 HD22 LEU 24 2HD2 LEU 24 -12.173 11.642 -4.861 80 HD23 LEU 24 3HD2 LEU 24 -10.779 12.726 -4.813 81 H ARG 25 H ARG 25 -7.641 13.088 -5.721 82 HA ARG 25 HA ARG 25 -8.972 13.914 -3.409 83 HB2 ARG 25 2HB ARG 25 -7.387 12.086 -3.470 84 HB3 ARG 25 1HB ARG 25 -6.086 13.231 -3.762 85 HG2 ARG 25 2HG ARG 25 -6.197 14.119 -1.637 86 HG3 ARG 25 1HG ARG 25 -7.834 13.507 -1.373 87 HD2 ARG 25 2HD ARG 25 -6.491 12.119 -0.128 88 HD3 ARG 25 1HD ARG 25 -6.939 11.298 -1.624 89 HE ARG 25 HE ARG 25 -4.466 12.438 -2.111 90 HH11 ARG 25 1HH1 ARG 25 -5.829 9.912 -0.046 91 HH12 ARG 25 2HH1 ARG 25 -4.441 8.975 0.071 92 HH21 ARG 25 1HH2 ARG 25 -2.405 11.028 -2.009 93 HH22 ARG 25 2HH2 ARG 25 -2.514 9.614 -1.081 94 H GLU 26 H GLU 26 -6.440 15.544 -5.339 95 HA GLU 26 HA GLU 26 -5.850 17.558 -3.536 96 HB2 GLU 26 2HB GLU 26 -4.780 17.044 -5.851 97 HB3 GLU 26 1HB GLU 26 -6.069 18.040 -6.514 98 HG2 GLU 26 2HG GLU 26 -5.299 19.845 -4.908 99 HG3 GLU 26 1HG GLU 26 -3.872 18.845 -4.646 100 H ARG 27 H ARG 27 -8.494 17.203 -5.841 101 HA ARG 27 HA ARG 27 -9.589 19.749 -5.074 102 HB2 ARG 27 2HB ARG 27 -10.703 17.619 -6.865 103 HB3 ARG 27 1HB ARG 27 -11.672 19.025 -6.424 104 HG2 ARG 27 2HG ARG 27 -10.790 19.548 -8.529 105 HG3 ARG 27 1HG ARG 27 -9.689 20.368 -7.419 106 HD2 ARG 27 2HD ARG 27 -8.349 18.129 -7.548 107 HD3 ARG 27 1HD ARG 27 -9.302 17.872 -8.984 108 HE ARG 27 HE ARG 27 -8.038 19.322 -10.091 109 HH11 ARG 27 1HH1 ARG 27 -7.784 20.439 -6.715 110 HH12 ARG 27 2HH1 ARG 27 -6.128 20.879 -6.926 111 HH21 ARG 27 1HH2 ARG 27 -5.701 20.127 -10.233 112 HH22 ARG 27 2HH2 ARG 27 -5.034 20.727 -8.766 113 H LEU 28 H LEU 28 -10.107 16.395 -4.124 114 HA LEU 28 HA LEU 28 -12.506 16.756 -2.777 115 HB2 LEU 28 2HB LEU 28 -10.860 14.615 -3.227 116 HB3 LEU 28 1HB LEU 28 -10.562 14.809 -1.541 117 HG LEU 28 HG LEU 28 -13.274 14.522 -2.795 118 HD11 LEU 28 1HD1 LEU 28 -12.023 12.476 -3.010 119 HD12 LEU 28 2HD1 LEU 28 -13.289 12.265 -1.801 120 HD13 LEU 28 3HD1 LEU 28 -11.617 12.510 -1.299 121 HD21 LEU 28 1HD2 LEU 28 -14.119 14.138 -0.510 122 HD22 LEU 28 2HD2 LEU 28 -13.409 15.739 -0.677 123 HD23 LEU 28 3HD2 LEU 28 -12.511 14.455 0.128 124 H ILE 29 H ILE 29 -9.225 17.363 -1.746 125 HA ILE 29 HA ILE 29 -9.616 18.091 0.938 126 HB ILE 29 HB ILE 29 -7.688 19.234 -1.129 127 HG12 ILE 29 2HG1 ILE 29 -7.605 16.736 -0.598 128 HG13 ILE 29 1HG1 ILE 29 -6.086 17.626 -0.453 129 HG21 ILE 29 1HG2 ILE 29 -7.872 20.760 0.758 130 HG22 ILE 29 2HG2 ILE 29 -6.292 19.959 0.743 131 HG23 ILE 29 3HG2 ILE 29 -7.550 19.412 1.856 132 HD11 ILE 29 1HD1 ILE 29 -7.932 16.890 1.785 133 HD12 ILE 29 2HD1 ILE 29 -6.347 17.657 1.923 134 HD13 ILE 29 3HD1 ILE 29 -6.477 15.992 1.326 135 H GLN 30 H GLN 30 -9.825 19.931 -2.032 136 HA GLN 30 HA GLN 30 -10.396 22.469 -0.894 137 HB2 GLN 30 2HB GLN 30 -10.767 21.428 -3.706 138 HB3 GLN 30 1HB GLN 30 -10.829 23.122 -3.235 139 HG2 GLN 30 2HG GLN 30 -8.524 23.141 -2.660 140 HG3 GLN 30 1HG GLN 30 -8.419 21.388 -2.769 141 HE21 GLN 30 1HE2 GLN 30 -6.850 23.422 -4.106 142 HE22 GLN 30 2HE2 GLN 30 -7.025 23.139 -5.799 143 H GLU 31 H GLU 31 -12.389 19.950 -2.370 144 HA GLU 31 HA GLU 31 -14.831 21.114 -2.715 145 HB2 GLU 31 2HB GLU 31 -14.161 18.326 -1.844 146 HB3 GLU 31 1HB GLU 31 -15.794 18.873 -2.220 147 HG2 GLU 31 2HG GLU 31 -13.549 19.172 -4.182 148 HG3 GLU 31 1HG GLU 31 -14.495 17.690 -4.067 149 H LEU 32 H LEU 32 -13.925 19.436 0.341 150 HA LEU 32 HA LEU 32 -16.200 20.864 1.502 151 HB2 LEU 32 2HB LEU 32 -14.649 18.499 2.466 152 HB3 LEU 32 1HB LEU 32 -15.908 19.280 3.411 153 HG LEU 32 HG LEU 32 -16.235 17.865 0.773 154 HD11 LEU 32 1HD1 LEU 32 -16.905 17.102 3.604 155 HD12 LEU 32 2HD1 LEU 32 -15.808 16.280 2.468 156 HD13 LEU 32 3HD1 LEU 32 -17.534 16.283 2.181 157 HD21 LEU 32 1HD2 LEU 32 -17.849 19.686 0.983 158 HD22 LEU 32 2HD2 LEU 32 -18.293 19.123 2.593 159 HD23 LEU 32 3HD2 LEU 32 -18.648 18.127 1.182 160 H ASN 33 H ASN 33 -13.186 21.666 1.048 161 HA ASN 33 HA ASN 33 -11.687 23.087 2.025 162 HB2 ASN 33 2HB ASN 33 -14.085 23.721 3.775 163 HB3 ASN 33 1HB ASN 33 -12.543 24.518 4.007 164 HD21 ASN 33 1HD2 ASN 33 -13.775 23.714 0.793 165 HD22 ASN 33 2HD2 ASN 33 -14.093 25.349 0.349 166 H LEU 34 H LEU 34 -11.810 20.390 2.797 167 HA LEU 34 HA LEU 34 -11.307 20.169 5.644 168 HB2 LEU 34 2HB LEU 34 -10.878 18.170 3.402 169 HB3 LEU 34 1HB LEU 34 -10.887 17.830 5.124 170 HG LEU 34 HG LEU 34 -13.283 18.932 3.755 171 HD11 LEU 34 1HD1 LEU 34 -12.700 16.813 2.552 172 HD12 LEU 34 2HD1 LEU 34 -14.155 16.599 3.472 173 HD13 LEU 34 3HD1 LEU 34 -12.634 15.966 4.094 174 HD21 LEU 34 1HD2 LEU 34 -13.299 19.019 6.160 175 HD22 LEU 34 2HD2 LEU 34 -12.932 17.295 6.252 176 HD23 LEU 34 3HD2 LEU 34 -14.477 17.833 5.598 177 H THR 35 H THR 35 -9.271 20.401 6.485 178 HA THR 35 HA THR 35 -7.108 21.041 4.704 179 HB THR 35 HB THR 35 -5.802 21.233 6.876 180 HG1 THR 35 1HG THR 35 -8.159 21.120 8.353 181 HG21 THR 35 1HG2 THR 35 -8.424 22.739 6.760 182 HG22 THR 35 2HG2 THR 35 -6.941 23.190 5.919 183 HG23 THR 35 3HG2 THR 35 -7.003 23.226 7.682 184 HA PRO 36 HA PRO 36 -5.443 16.885 4.415 185 HB2 PRO 36 2HB PRO 36 -2.733 17.268 4.571 186 HB3 PRO 36 1HB PRO 36 -3.679 17.669 3.121 187 HG2 PRO 36 2HG PRO 36 -2.699 19.481 5.264 188 HG3 PRO 36 1HG PRO 36 -2.752 19.728 3.507 189 HD2 PRO 36 2HD PRO 36 -4.570 20.843 5.143 190 HD3 PRO 36 1HD PRO 36 -4.977 20.301 3.504 191 H GLN 37 H GLN 37 -5.163 18.613 7.225 192 HA GLN 37 HA GLN 37 -3.970 16.409 8.746 193 HB2 GLN 37 2HB GLN 37 -3.263 18.758 9.209 194 HB3 GLN 37 1HB GLN 37 -4.918 19.149 9.637 195 HG2 GLN 37 2HG GLN 37 -4.793 17.558 11.505 196 HG3 GLN 37 1HG GLN 37 -3.117 17.217 11.083 197 HE21 GLN 37 1HE2 GLN 37 -4.248 18.321 13.521 198 HE22 GLN 37 2HE2 GLN 37 -3.463 19.853 13.743 199 H GLN 38 H GLN 38 -6.926 17.720 7.718 200 HA GLN 38 HA GLN 38 -8.553 16.558 9.824 201 HB2 GLN 38 2HB GLN 38 -8.763 18.949 8.977 202 HB3 GLN 38 1HB GLN 38 -9.276 18.264 7.451 203 HG2 GLN 38 2HG GLN 38 -11.175 17.302 8.455 204 HG3 GLN 38 1HG GLN 38 -10.666 17.879 10.059 205 HE21 GLN 38 1HE2 GLN 38 -13.119 18.552 8.650 206 HE22 GLN 38 2HE2 GLN 38 -13.070 20.263 8.403 207 H LEU 39 H LEU 39 -7.851 16.584 6.363 208 HA LEU 39 HA LEU 39 -9.619 14.321 5.950 209 HB2 LEU 39 2HB LEU 39 -9.552 16.506 4.441 210 HB3 LEU 39 1HB LEU 39 -8.162 15.760 3.729 211 HG LEU 39 HG LEU 39 -10.998 14.724 3.713 212 HD11 LEU 39 1HD1 LEU 39 -10.516 16.491 2.109 213 HD12 LEU 39 2HD1 LEU 39 -10.892 14.955 1.347 214 HD13 LEU 39 3HD1 LEU 39 -9.227 15.502 1.407 215 HD21 LEU 39 1HD2 LEU 39 -9.493 12.843 3.983 216 HD22 LEU 39 2HD2 LEU 39 -8.563 13.383 2.582 217 HD23 LEU 39 3HD2 LEU 39 -10.240 12.851 2.384 218 H HIS 40 H HIS 40 -8.338 12.813 6.852 219 HA HIS 40 HA HIS 40 -5.987 12.113 5.285 220 HB2 HIS 40 2HB HIS 40 -5.522 10.350 7.057 221 HB3 HIS 40 1HB HIS 40 -5.484 11.979 7.695 222 HD1 HIS 40 HD1 HIS 40 -6.534 8.767 8.648 223 HD2 HIS 40 HD2 HIS 40 -8.231 12.547 8.931 224 HE1 HIS 40 HE1 HIS 40 -8.318 8.608 10.421 225 H GLU 41 H GLU 41 -6.056 9.489 4.770 226 HA GLU 41 HA GLU 41 -8.490 9.677 3.313 227 HB2 GLU 41 2HB GLU 41 -7.699 7.829 1.845 228 HB3 GLU 41 1HB GLU 41 -6.696 9.257 1.883 229 HG2 GLU 41 2HG GLU 41 -5.090 8.076 3.295 230 HG3 GLU 41 1HG GLU 41 -6.089 6.619 3.198 231 H GLU 42 H GLU 42 -7.600 8.093 5.988 232 HA GLU 42 HA GLU 42 -9.548 5.985 5.834 233 HB2 GLU 42 2HB GLU 42 -8.371 7.029 8.404 234 HB3 GLU 42 1HB GLU 42 -8.916 5.405 8.038 235 HG2 GLU 42 2HG GLU 42 -6.602 5.182 8.091 236 HG3 GLU 42 1HG GLU 42 -6.925 5.371 6.366 237 H SER 43 H SER 43 -9.947 9.268 6.094 238 HA SER 43 HA SER 43 -11.906 9.462 8.130 239 HB2 SER 43 2HB SER 43 -11.463 11.224 5.716 240 HB3 SER 43 1HB SER 43 -12.432 11.633 7.129 241 HG SER 43 HG SER 43 -10.194 11.035 8.190 242 H ASN 44 H ASN 44 -14.039 9.120 8.080 243 HA ASN 44 HA ASN 44 -15.279 7.969 5.764 244 HB2 ASN 44 2HB ASN 44 -15.957 7.264 8.068 245 HB3 ASN 44 1HB ASN 44 -16.554 8.888 8.372 246 HD21 ASN 44 1HD2 ASN 44 -17.985 6.362 8.453 247 HD22 ASN 44 2HD2 ASN 44 -19.281 6.490 7.324 248 H LEU 45 H LEU 45 -15.633 9.218 4.165 249 HA LEU 45 HA LEU 45 -15.785 12.019 4.329 250 HB2 LEU 45 2HB LEU 45 -16.310 10.164 2.040 251 HB3 LEU 45 1HB LEU 45 -16.324 11.912 1.898 252 HG LEU 45 HG LEU 45 -13.920 10.309 2.802 253 HD11 LEU 45 1HD1 LEU 45 -14.572 11.507 0.137 254 HD12 LEU 45 2HD1 LEU 45 -14.425 9.786 0.536 255 HD13 LEU 45 3HD1 LEU 45 -13.013 10.839 0.610 256 HD21 LEU 45 1HD2 LEU 45 -14.225 13.224 2.033 257 HD22 LEU 45 2HD2 LEU 45 -12.715 12.394 2.378 258 HD23 LEU 45 3HD2 LEU 45 -13.911 12.589 3.655 259 H ILE 46 H ILE 46 -18.322 9.655 4.441 260 HA ILE 46 HA ILE 46 -20.374 11.490 3.649 261 HB ILE 46 HB ILE 46 -20.583 8.903 5.235 262 HG12 ILE 46 2HG1 ILE 46 -19.716 8.541 2.977 263 HG13 ILE 46 1HG1 ILE 46 -21.333 7.867 3.135 264 HG21 ILE 46 1HG2 ILE 46 -22.530 10.288 5.668 265 HG22 ILE 46 2HG2 ILE 46 -22.974 8.899 4.677 266 HG23 ILE 46 3HG2 ILE 46 -22.795 10.490 3.936 267 HD11 ILE 46 1HD1 ILE 46 -22.210 9.841 1.959 268 HD12 ILE 46 2HD1 ILE 46 -21.059 8.902 1.008 269 HD13 ILE 46 3HD1 ILE 46 -20.550 10.422 1.755 270 H GLN 47 H GLN 47 -18.809 10.580 6.606 271 HA GLN 47 HA GLN 47 -20.573 12.123 8.299 272 HB2 GLN 47 2HB GLN 47 -17.886 10.880 8.913 273 HB3 GLN 47 1HB GLN 47 -18.948 11.631 10.093 274 HG2 GLN 47 2HG GLN 47 -20.648 9.928 9.638 275 HG3 GLN 47 1HG GLN 47 -19.569 9.176 8.465 276 HE21 GLN 47 1HE2 GLN 47 -18.476 10.552 11.499 277 HE22 GLN 47 2HE2 GLN 47 -18.049 9.039 12.219 278 H ALA 48 H ALA 48 -17.898 12.720 6.336 279 HA ALA 48 HA ALA 48 -17.072 15.142 7.692 280 HB1 ALA 48 1HB ALA 48 -15.404 13.784 6.483 281 HB2 ALA 48 2HB ALA 48 -15.513 15.414 5.819 282 HB3 ALA 48 3HB ALA 48 -16.278 14.068 4.975 283 H GLY 49 H GLY 49 -19.490 14.169 5.628 284 HA2 GLY 49 2HA GLY 49 -21.295 15.461 5.059 285 HA3 GLY 49 1HA GLY 49 -20.325 16.915 5.258 286 H LEU 50 H LEU 50 -19.284 14.172 3.255 287 HA LEU 50 HA LEU 50 -19.126 15.819 0.888 288 HB2 LEU 50 2HB LEU 50 -17.709 13.730 1.690 289 HB3 LEU 50 1HB LEU 50 -19.028 12.859 0.919 290 HG LEU 50 HG LEU 50 -18.656 14.141 -1.098 291 HD11 LEU 50 1HD1 LEU 50 -16.148 15.098 0.351 292 HD12 LEU 50 2HD1 LEU 50 -17.434 16.089 -0.332 293 HD13 LEU 50 3HD1 LEU 50 -16.383 15.151 -1.395 294 HD21 LEU 50 1HD2 LEU 50 -17.847 11.920 -0.798 295 HD22 LEU 50 2HD2 LEU 50 -16.353 12.576 -0.091 296 HD23 LEU 50 3HD2 LEU 50 -16.740 12.881 -1.796 297 H ASP 51 H ASP 51 -20.912 16.500 0.147 298 HA ASP 51 HA ASP 51 -23.375 15.207 0.280 299 HB2 ASP 51 2HB ASP 51 -24.162 16.861 -1.348 300 HB3 ASP 51 1HB ASP 51 -23.178 17.628 -0.109 301 H SER 52 H SER 52 -24.649 14.380 -1.480 302 HA SER 52 HA SER 52 -23.238 12.352 -2.770 303 HB2 SER 52 2HB SER 52 -26.084 13.172 -3.289 304 HB3 SER 52 1HB SER 52 -25.261 11.634 -3.639 305 HG SER 52 HG SER 52 -26.347 11.345 -1.732 306 H ILE 53 H ILE 53 -23.785 15.626 -3.819 307 HA ILE 53 HA ILE 53 -23.782 14.829 -6.577 308 HB ILE 53 HB ILE 53 -23.163 17.614 -5.530 309 HG12 ILE 53 2HG1 ILE 53 -25.439 16.952 -4.829 310 HG13 ILE 53 1HG1 ILE 53 -25.512 18.181 -6.084 311 HG21 ILE 53 1HG2 ILE 53 -23.583 18.331 -7.852 312 HG22 ILE 53 2HG2 ILE 53 -24.084 16.697 -8.273 313 HG23 ILE 53 3HG2 ILE 53 -22.418 16.991 -7.905 314 HD11 ILE 53 1HD1 ILE 53 -26.023 16.437 -7.737 315 HD12 ILE 53 2HD1 ILE 53 -27.204 16.478 -6.429 316 HD13 ILE 53 3HD1 ILE 53 -25.970 15.221 -6.460 317 H ARG 54 H ARG 54 -21.506 16.044 -4.166 318 HA ARG 54 HA ARG 54 -19.189 16.070 -5.712 319 HB2 ARG 54 2HB ARG 54 -19.834 15.701 -2.883 320 HB3 ARG 54 1HB ARG 54 -18.350 14.902 -3.373 321 HG2 ARG 54 2HG ARG 54 -17.921 17.107 -2.523 322 HG3 ARG 54 1HG ARG 54 -17.505 16.997 -4.231 323 HD2 ARG 54 2HD ARG 54 -19.662 18.041 -4.784 324 HD3 ARG 54 1HD ARG 54 -19.985 18.220 -3.055 325 HE ARG 54 HE ARG 54 -17.692 19.372 -4.434 326 HH11 ARG 54 1HH1 ARG 54 -20.323 19.629 -2.063 327 HH12 ARG 54 2HH1 ARG 54 -19.840 21.140 -1.466 328 HH21 ARG 54 1HH2 ARG 54 -16.983 21.351 -3.663 329 HH22 ARG 54 2HH2 ARG 54 -17.780 22.188 -2.392 330 H LEU 55 H LEU 55 -20.712 13.493 -3.995 331 HA LEU 55 HA LEU 55 -18.928 11.447 -4.552 332 HB2 LEU 55 2HB LEU 55 -21.184 11.765 -3.006 333 HB3 LEU 55 1HB LEU 55 -21.794 10.834 -4.314 334 HG LEU 55 HG LEU 55 -20.603 8.900 -3.766 335 HD11 LEU 55 1HD1 LEU 55 -18.730 8.907 -2.181 336 HD12 LEU 55 2HD1 LEU 55 -18.790 10.675 -2.105 337 HD13 LEU 55 3HD1 LEU 55 -18.344 9.863 -3.603 338 HD21 LEU 55 1HD2 LEU 55 -22.284 9.497 -2.083 339 HD22 LEU 55 2HD2 LEU 55 -21.020 10.324 -1.158 340 HD23 LEU 55 3HD2 LEU 55 -20.936 8.585 -1.402 341 H MET 56 H MET 56 -21.776 12.581 -6.333 342 HA MET 56 HA MET 56 -21.484 10.508 -8.305 343 HB2 MET 56 2HB MET 56 -23.439 12.797 -8.130 344 HB3 MET 56 1HB MET 56 -23.442 11.597 -9.423 345 HG2 MET 56 2HG MET 56 -23.755 9.826 -7.799 346 HG3 MET 56 1HG MET 56 -23.724 11.003 -6.498 347 HE1 MET 56 HE1 MET 56 -25.893 10.002 -5.537 348 HE2 MET 56 HE2 MET 56 -25.831 8.815 -6.823 349 HE3 MET 56 HE3 MET 56 -27.348 9.670 -6.487 350 H ARG 57 H ARG 57 -20.488 13.819 -7.987 351 HA ARG 57 HA ARG 57 -19.966 14.173 -10.665 352 HB2 ARG 57 2HB ARG 57 -18.521 15.469 -8.328 353 HB3 ARG 57 1HB ARG 57 -18.209 15.901 -9.999 354 HG2 ARG 57 2HG ARG 57 -20.795 16.302 -10.054 355 HG3 ARG 57 1HG ARG 57 -20.582 16.399 -8.308 356 HD2 ARG 57 2HD ARG 57 -19.163 18.098 -10.368 357 HD3 ARG 57 1HD ARG 57 -20.498 18.618 -9.357 358 HE ARG 57 HE ARG 57 -18.378 17.756 -7.714 359 HH11 ARG 57 1HH1 ARG 57 -19.193 20.405 -9.921 360 HH12 ARG 57 2HH1 ARG 57 -18.162 21.545 -9.178 361 HH21 ARG 57 1HH2 ARG 57 -16.933 19.347 -6.681 362 HH22 ARG 57 2HH2 ARG 57 -16.840 20.904 -7.254 363 H TRP 58 H TRP 58 -18.182 12.927 -7.910 364 HA TRP 58 HA TRP 58 -15.747 12.431 -9.116 365 HB2 TRP 58 2HB TRP 58 -17.015 11.214 -6.684 366 HB3 TRP 58 1HB TRP 58 -15.420 10.728 -7.242 367 HD1 TRP 58 HD1 TRP 58 -16.538 12.632 -4.534 368 HE1 TRP 58 HE1 TRP 58 -15.075 14.586 -3.977 369 HE3 TRP 58 HE3 TRP 58 -14.019 13.088 -9.024 370 HZ2 TRP 58 HZ2 TRP 58 -13.043 16.181 -5.280 371 HZ3 TRP 58 HZ3 TRP 58 -12.397 14.860 -9.244 372 HH2 TRP 58 HH2 TRP 58 -11.927 16.370 -7.439 373 H LEU 59 H LEU 59 -18.543 10.340 -8.831 374 HA LEU 59 HA LEU 59 -17.530 7.989 -9.886 375 HB2 LEU 59 2HB LEU 59 -19.827 8.165 -9.075 376 HB3 LEU 59 1HB LEU 59 -20.222 9.252 -10.389 377 HG LEU 59 HG LEU 59 -19.844 7.447 -11.993 378 HD11 LEU 59 1HD1 LEU 59 -19.524 5.692 -9.560 379 HD12 LEU 59 2HD1 LEU 59 -18.300 6.052 -10.781 380 HD13 LEU 59 3HD1 LEU 59 -19.726 5.119 -11.216 381 HD21 LEU 59 1HD2 LEU 59 -22.087 7.922 -11.248 382 HD22 LEU 59 2HD2 LEU 59 -21.885 6.874 -9.848 383 HD23 LEU 59 3HD2 LEU 59 -21.896 6.184 -11.471 384 H HIS 60 H HIS 60 -18.599 10.871 -11.565 385 HA HIS 60 HA HIS 60 -18.127 9.678 -14.120 386 HB2 HIS 60 2HB HIS 60 -19.101 12.415 -13.337 387 HB3 HIS 60 1HB HIS 60 -18.800 11.949 -15.013 388 HD1 HIS 60 HD1 HIS 60 -21.251 11.446 -12.213 389 HD2 HIS 60 HD2 HIS 60 -20.509 9.980 -16.036 390 HE1 HIS 60 HE1 HIS 60 -23.295 10.131 -12.873 391 H TRP 61 H TRP 61 -16.328 11.549 -11.914 392 HA TRP 61 HA TRP 61 -14.372 12.562 -13.685 393 HB2 TRP 61 2HB TRP 61 -14.615 13.310 -11.323 394 HB3 TRP 61 1HB TRP 61 -14.125 11.716 -10.780 395 HD1 TRP 61 HD1 TRP 61 -12.721 15.011 -12.075 396 HE1 TRP 61 HE1 TRP 61 -10.151 15.003 -11.761 397 HE3 TRP 61 HE3 TRP 61 -12.050 10.114 -10.759 398 HZ2 TRP 61 HZ2 TRP 61 -8.139 13.180 -11.077 399 HZ3 TRP 61 HZ3 TRP 61 -9.775 9.325 -10.290 400 HH2 TRP 61 HH2 TRP 61 -7.863 10.826 -10.451 401 H PHE 62 H PHE 62 -14.488 9.620 -11.660 402 HA PHE 62 HA PHE 62 -12.170 8.313 -12.574 403 HB2 PHE 62 2HB PHE 62 -14.834 7.045 -11.841 404 HB3 PHE 62 1HB PHE 62 -13.364 6.143 -12.114 405 HD1 PHE 62 HD1 PHE 62 -15.241 8.227 -9.825 406 HD2 PHE 62 HD2 PHE 62 -11.570 6.164 -10.425 407 HE1 PHE 62 HE1 PHE 62 -14.789 8.350 -7.416 408 HE2 PHE 62 HE2 PHE 62 -11.123 6.298 -8.003 409 HZ PHE 62 HZ PHE 62 -12.729 7.383 -6.509 410 H ARG 63 H ARG 63 -15.445 8.178 -13.688 411 HA ARG 63 HA ARG 63 -15.237 6.310 -15.745 412 HB2 ARG 63 2HB ARG 63 -17.196 7.542 -14.440 413 HB3 ARG 63 1HB ARG 63 -17.202 8.522 -15.895 414 HG2 ARG 63 2HG ARG 63 -17.568 6.453 -17.215 415 HG3 ARG 63 1HG ARG 63 -17.613 5.568 -15.674 416 HD2 ARG 63 2HD ARG 63 -19.491 6.910 -14.913 417 HD3 ARG 63 1HD ARG 63 -19.460 7.840 -16.406 418 HE ARG 63 HE ARG 63 -19.727 5.111 -16.964 419 HH11 ARG 63 1HH1 ARG 63 -21.638 7.855 -15.691 420 HH12 ARG 63 2HH1 ARG 63 -23.131 7.255 -16.165 421 HH21 ARG 63 1HH2 ARG 63 -21.858 4.248 -17.639 422 HH22 ARG 63 2HH2 ARG 63 -23.270 5.133 -17.310 423 H LYS 64 H LYS 64 -14.589 9.779 -15.694 424 HA LYS 64 HA LYS 64 -14.373 9.869 -18.537 425 HB2 LYS 64 2HB LYS 64 -14.085 11.970 -16.448 426 HB3 LYS 64 1HB LYS 64 -13.457 12.250 -18.063 427 HG2 LYS 64 2HG LYS 64 -16.284 11.355 -17.661 428 HG3 LYS 64 1HG LYS 64 -15.845 13.041 -17.455 429 HD2 LYS 64 2HD LYS 64 -16.735 12.663 -19.706 430 HD3 LYS 64 1HD LYS 64 -15.050 13.126 -19.791 431 HE2 LYS 64 2HE LYS 64 -15.870 10.220 -19.914 432 HE3 LYS 64 1HE LYS 64 -15.963 11.241 -21.336 433 HZ1 LYS 64 1HZ LYS 64 -13.429 10.689 -19.805 434 HZ2 LYS 64 2HZ LYS 64 -13.565 11.653 -21.161 435 HZ3 LYS 64 3HZ LYS 64 -13.884 10.007 -21.268 436 H ASN 65 H ASN 65 -12.153 9.640 -15.886 437 HA ASN 65 HA ASN 65 -9.848 10.125 -17.522 438 HB2 ASN 65 2HB ASN 65 -10.197 9.132 -14.694 439 HB3 ASN 65 1HB ASN 65 -8.616 9.203 -15.462 440 HD21 ASN 65 1HD2 ASN 65 -7.924 10.700 -13.854 441 HD22 ASN 65 2HD2 ASN 65 -8.417 12.332 -13.944 442 H GLY 66 H GLY 66 -11.859 7.497 -17.132 443 HA2 GLY 66 2HA GLY 66 -11.597 5.563 -18.548 444 HA3 GLY 66 1HA GLY 66 -9.851 5.759 -18.419 445 H TYR 67 H TYR 67 -11.276 6.332 -15.528 446 HA TYR 67 HA TYR 67 -10.354 3.813 -14.515 447 HB2 TYR 67 2HB TYR 67 -11.116 6.403 -13.195 448 HB3 TYR 67 1HB TYR 67 -10.859 4.925 -12.261 449 HD1 TYR 67 HD1 TYR 67 -8.778 4.310 -11.656 450 HD2 TYR 67 HD2 TYR 67 -9.208 7.108 -14.777 451 HE1 TYR 67 HE1 TYR 67 -6.325 4.564 -11.744 452 HE2 TYR 67 HE2 TYR 67 -6.776 7.413 -14.891 453 HH TYR 67 HH TYR 67 -4.869 7.113 -13.427 454 H ARG 68 H ARG 68 -11.793 2.983 -12.609 455 HA ARG 68 HA ARG 68 -14.500 2.845 -13.576 456 HB2 ARG 68 2HB ARG 68 -14.354 0.437 -14.256 457 HB3 ARG 68 1HB ARG 68 -13.546 1.574 -15.321 458 HG2 ARG 68 2HG ARG 68 -11.393 0.962 -14.088 459 HG3 ARG 68 1HG ARG 68 -12.304 -0.380 -13.392 460 HD2 ARG 68 2HD ARG 68 -12.837 -1.168 -15.663 461 HD3 ARG 68 1HD ARG 68 -11.889 0.154 -16.335 462 HE ARG 68 HE ARG 68 -10.752 -1.993 -14.666 463 HH11 ARG 68 1HH1 ARG 68 -10.271 0.375 -17.340 464 HH12 ARG 68 2HH1 ARG 68 -8.847 -0.402 -17.881 465 HH21 ARG 68 1HH2 ARG 68 -8.796 -3.017 -15.576 466 HH22 ARG 68 2HH2 ARG 68 -8.091 -2.327 -16.964 467 H LEU 69 H LEU 69 -15.744 2.613 -11.939 468 HA LEU 69 HA LEU 69 -15.674 0.403 -10.258 469 HB2 LEU 69 2HB LEU 69 -15.554 1.732 -8.067 470 HB3 LEU 69 1HB LEU 69 -14.042 1.403 -8.871 471 HG LEU 69 HG LEU 69 -14.022 3.757 -9.704 472 HD11 LEU 69 1HD1 LEU 69 -15.485 5.418 -8.654 473 HD12 LEU 69 2HD1 LEU 69 -16.427 4.112 -7.922 474 HD13 LEU 69 3HD1 LEU 69 -16.375 4.288 -9.672 475 HD21 LEU 69 1HD2 LEU 69 -13.443 4.752 -7.549 476 HD22 LEU 69 2HD2 LEU 69 -12.784 3.128 -7.734 477 HD23 LEU 69 3HD2 LEU 69 -14.205 3.391 -6.725 478 H THR 70 H THR 70 -17.549 0.678 -8.552 479 HA THR 70 HA THR 70 -19.531 2.330 -9.903 480 HB THR 70 HB THR 70 -21.272 0.869 -8.921 481 HG1 THR 70 1HG THR 70 -19.024 -0.482 -7.829 482 HG21 THR 70 1HG2 THR 70 -20.460 0.337 -11.158 483 HG22 THR 70 2HG2 THR 70 -20.867 -1.139 -10.284 484 HG23 THR 70 3HG2 THR 70 -19.180 -0.662 -10.470 485 H LEU 71 H LEU 71 -20.799 3.676 -8.698 486 HA LEU 71 HA LEU 71 -19.533 4.916 -6.531 487 HB2 LEU 71 2HB LEU 71 -21.192 5.871 -8.192 488 HB3 LEU 71 1HB LEU 71 -22.359 5.069 -7.142 489 HG LEU 71 HG LEU 71 -21.855 6.445 -5.292 490 HD11 LEU 71 1HD1 LEU 71 -19.551 6.674 -5.536 491 HD12 LEU 71 2HD1 LEU 71 -20.222 8.333 -5.658 492 HD13 LEU 71 3HD1 LEU 71 -19.754 7.415 -7.106 493 HD21 LEU 71 1HD2 LEU 71 -23.456 7.329 -6.911 494 HD22 LEU 71 2HD2 LEU 71 -22.132 8.107 -7.783 495 HD23 LEU 71 3HD2 LEU 71 -22.530 8.620 -6.144 496 H ARG 72 H ARG 72 -21.804 2.356 -6.658 497 HA ARG 72 HA ARG 72 -23.059 2.546 -4.139 498 HB2 ARG 72 2HB ARG 72 -22.385 0.089 -5.765 499 HB3 ARG 72 1HB ARG 72 -23.454 0.103 -4.375 500 HG2 ARG 72 2HG ARG 72 -24.999 1.566 -5.565 501 HG3 ARG 72 1HG ARG 72 -23.909 1.595 -6.954 502 HD2 ARG 72 2HD ARG 72 -24.162 -0.822 -7.214 503 HD3 ARG 72 1HD ARG 72 -25.222 -0.872 -5.809 504 HE ARG 72 HE ARG 72 -26.449 0.890 -7.409 505 HH11 ARG 72 1HH1 ARG 72 -25.236 -2.383 -8.010 506 HH12 ARG 72 2HH1 ARG 72 -26.409 -2.803 -9.161 507 HH21 ARG 72 1HH2 ARG 72 -28.128 0.330 -9.025 508 HH22 ARG 72 2HH2 ARG 72 -28.116 -1.198 -9.755 509 H GLU 73 H GLU 73 -19.937 1.686 -5.090 510 HA GLU 73 HA GLU 73 -19.277 0.072 -2.778 511 HB2 GLU 73 2HB GLU 73 -17.532 1.278 -4.922 512 HB3 GLU 73 1HB GLU 73 -17.003 0.098 -3.727 513 HG2 GLU 73 2HG GLU 73 -18.470 -1.562 -4.643 514 HG3 GLU 73 1HG GLU 73 -19.178 -0.378 -5.740 515 H LEU 74 H LEU 74 -18.668 3.355 -3.922 516 HA LEU 74 HA LEU 74 -17.079 4.261 -1.823 517 HB2 LEU 74 2HB LEU 74 -18.888 5.706 -3.759 518 HB3 LEU 74 1HB LEU 74 -17.849 6.533 -2.625 519 HG LEU 74 HG LEU 74 -15.882 5.476 -3.721 520 HD11 LEU 74 1HD1 LEU 74 -17.795 4.538 -5.822 521 HD12 LEU 74 2HD1 LEU 74 -16.869 3.537 -4.707 522 HD13 LEU 74 3HD1 LEU 74 -16.034 4.512 -5.914 523 HD21 LEU 74 1HD2 LEU 74 -17.614 7.135 -5.545 524 HD22 LEU 74 2HD2 LEU 74 -15.877 6.896 -5.704 525 HD23 LEU 74 3HD2 LEU 74 -16.523 7.736 -4.297 526 H TYR 75 H TYR 75 -20.517 3.940 -2.179 527 HA TYR 75 HA TYR 75 -21.144 5.337 0.256 528 HB2 TYR 75 2HB TYR 75 -22.734 3.644 -1.632 529 HB3 TYR 75 1HB TYR 75 -23.390 4.066 -0.050 530 HD1 TYR 75 HD1 TYR 75 -22.717 5.187 -3.440 531 HD2 TYR 75 HD2 TYR 75 -23.868 6.438 0.458 532 HE1 TYR 75 HE1 TYR 75 -23.628 7.279 -4.377 533 HE2 TYR 75 HE2 TYR 75 -24.772 8.525 -0.465 534 HH TYR 75 HH TYR 75 -24.458 9.920 -2.428 535 H ALA 76 H ALA 76 -20.646 1.980 -0.716 536 HA ALA 76 HA ALA 76 -21.546 0.750 1.652 537 HB1 ALA 76 1HB ALA 76 -20.360 -1.237 0.870 538 HB2 ALA 76 2HB ALA 76 -19.489 -0.261 -0.313 539 HB3 ALA 76 3HB ALA 76 -21.234 -0.473 -0.459 540 H ALA 77 H ALA 77 -18.297 1.682 0.608 541 HA ALA 77 HA ALA 77 -17.572 1.714 3.441 542 HB1 ALA 77 1HB ALA 77 -15.742 1.020 1.130 543 HB2 ALA 77 2HB ALA 77 -16.342 -0.112 2.348 544 HB3 ALA 77 3HB ALA 77 -15.255 1.201 2.814 545 HA PRO 78 HA PRO 78 -17.160 5.790 1.659 546 HB2 PRO 78 2HB PRO 78 -18.239 7.152 3.777 547 HB3 PRO 78 1HB PRO 78 -19.182 6.496 2.424 548 HG2 PRO 78 2HG PRO 78 -19.128 5.615 5.170 549 HG3 PRO 78 1HG PRO 78 -20.222 5.142 3.861 550 HD2 PRO 78 2HD PRO 78 -17.960 3.689 4.921 551 HD3 PRO 78 1HD PRO 78 -19.162 3.170 3.724 552 H THR 79 H THR 79 -14.958 5.452 1.902 553 HA THR 79 HA THR 79 -13.765 7.303 3.749 554 HB THR 79 HB THR 79 -11.840 5.564 4.002 555 HG1 THR 79 1HG THR 79 -14.033 3.941 3.302 556 HG21 THR 79 1HG2 THR 79 -12.770 4.684 6.080 557 HG22 THR 79 2HG2 THR 79 -14.393 5.132 5.526 558 HG23 THR 79 3HG2 THR 79 -13.198 6.393 5.858 559 H LEU 80 H LEU 80 -11.873 8.104 2.819 560 HA LEU 80 HA LEU 80 -12.053 8.136 0.014 561 HB2 LEU 80 2HB LEU 80 -11.416 10.012 1.449 562 HB3 LEU 80 1HB LEU 80 -9.905 9.207 1.812 563 HG LEU 80 HG LEU 80 -10.558 9.911 -1.040 564 HD11 LEU 80 1HD1 LEU 80 -9.181 11.729 0.923 565 HD12 LEU 80 2HD1 LEU 80 -10.856 11.921 0.424 566 HD13 LEU 80 3HD1 LEU 80 -9.562 12.052 -0.775 567 HD21 LEU 80 1HD2 LEU 80 -8.627 8.494 -0.522 568 HD22 LEU 80 2HD2 LEU 80 -8.001 9.801 0.507 569 HD23 LEU 80 3HD2 LEU 80 -8.222 10.066 -1.220 570 H ALA 81 H ALA 81 -9.860 6.563 2.266 571 HA ALA 81 HA ALA 81 -7.958 5.506 0.520 572 HB1 ALA 81 1HB ALA 81 -7.773 5.471 2.979 573 HB2 ALA 81 2HB ALA 81 -7.496 3.880 2.269 574 HB3 ALA 81 3HB ALA 81 -9.039 4.245 3.041 575 H ALA 82 H ALA 82 -11.222 4.545 1.185 576 HA ALA 82 HA ALA 82 -11.033 1.942 0.129 577 HB1 ALA 82 1HB ALA 82 -13.462 1.943 0.099 578 HB2 ALA 82 2HB ALA 82 -13.476 3.685 0.381 579 HB3 ALA 82 3HB ALA 82 -12.858 2.596 1.622 580 H TRP 83 H TRP 83 -12.008 5.073 -1.294 581 HA TRP 83 HA TRP 83 -12.759 3.910 -3.807 582 HB2 TRP 83 2HB TRP 83 -11.715 6.747 -3.851 583 HB3 TRP 83 1HB TRP 83 -13.043 6.018 -4.702 584 HD1 TRP 83 HD1 TRP 83 -13.926 5.368 -1.223 585 HE1 TRP 83 HE1 TRP 83 -15.508 7.198 -0.373 586 HE3 TRP 83 HE3 TRP 83 -13.208 8.834 -4.886 587 HZ2 TRP 83 HZ2 TRP 83 -16.333 9.755 -1.142 588 HZ3 TRP 83 HZ3 TRP 83 -14.422 10.945 -4.748 589 HH2 TRP 83 HH2 TRP 83 -15.951 11.395 -2.920 590 H ASN 84 H ASN 84 -9.842 5.200 -2.451 591 HA ASN 84 HA ASN 84 -8.031 5.280 -4.568 592 HB2 ASN 84 2HB ASN 84 -7.564 6.014 -2.228 593 HB3 ASN 84 1HB ASN 84 -7.586 4.350 -1.697 594 HD21 ASN 84 1HD2 ASN 84 -5.473 6.052 -1.154 595 HD22 ASN 84 2HD2 ASN 84 -4.093 5.601 -2.064 596 H GLN 85 H GLN 85 -8.698 2.610 -2.328 597 HA GLN 85 HA GLN 85 -7.219 0.686 -3.844 598 HB2 GLN 85 2HB GLN 85 -9.126 0.413 -1.535 599 HB3 GLN 85 1HB GLN 85 -8.332 -0.959 -2.292 600 HG2 GLN 85 2HG GLN 85 -6.892 1.372 -1.077 601 HG3 GLN 85 1HG GLN 85 -7.213 -0.148 -0.225 602 HE21 GLN 85 1HE2 GLN 85 -6.147 -2.013 -0.957 603 HE22 GLN 85 2HE2 GLN 85 -4.709 -1.928 -1.907 604 H LEU 86 H LEU 86 -10.614 1.595 -3.734 605 HA LEU 86 HA LEU 86 -11.657 -0.573 -5.097 606 HB2 LEU 86 2HB LEU 86 -12.538 2.283 -5.138 607 HB3 LEU 86 1HB LEU 86 -13.425 0.994 -5.922 608 HG LEU 86 HG LEU 86 -12.854 1.179 -2.967 609 HD11 LEU 86 1HD1 LEU 86 -15.341 1.549 -4.555 610 HD12 LEU 86 2HD1 LEU 86 -14.443 2.820 -3.715 611 HD13 LEU 86 3HD1 LEU 86 -15.254 1.540 -2.793 612 HD21 LEU 86 1HD2 LEU 86 -14.424 -0.710 -2.783 613 HD22 LEU 86 2HD2 LEU 86 -12.968 -1.147 -3.663 614 HD23 LEU 86 3HD2 LEU 86 -14.468 -0.835 -4.542 615 H MET 87 H MET 87 -10.058 2.284 -6.383 616 HA MET 87 HA MET 87 -10.413 1.852 -9.116 617 HB2 MET 87 2HB MET 87 -8.051 2.907 -7.578 618 HB3 MET 87 1HB MET 87 -7.956 2.676 -9.309 619 HG2 MET 87 2HG MET 87 -9.861 4.240 -9.563 620 HG3 MET 87 1HG MET 87 -9.805 4.515 -7.818 621 HE1 MET 87 HE1 MET 87 -9.400 6.547 -10.429 622 HE2 MET 87 HE2 MET 87 -8.178 7.688 -9.820 623 HE3 MET 87 HE3 MET 87 -9.544 7.258 -8.817 624 H LEU 88 H LEU 88 -7.679 0.751 -7.166 625 HA LEU 88 HA LEU 88 -6.851 -1.064 -9.153 626 HB2 LEU 88 2HB LEU 88 -5.928 -0.500 -6.386 627 HB3 LEU 88 1HB LEU 88 -5.342 -1.947 -7.188 628 HG LEU 88 HG LEU 88 -3.729 -0.059 -7.459 629 HD11 LEU 88 1HD1 LEU 88 -5.037 -0.873 -10.027 630 HD12 LEU 88 2HD1 LEU 88 -3.796 -1.758 -9.145 631 HD13 LEU 88 3HD1 LEU 88 -3.428 -0.178 -9.834 632 HD21 LEU 88 1HD2 LEU 88 -4.307 1.882 -8.799 633 HD22 LEU 88 2HD2 LEU 88 -5.391 1.764 -7.404 634 HD23 LEU 88 3HD2 LEU 88 -5.956 1.279 -8.999 635 H SER 89 H SER 89 -9.203 -1.472 -6.768 636 HA SER 89 HA SER 89 -9.055 -4.341 -6.703 637 HB2 SER 89 2HB SER 89 -11.330 -2.501 -5.917 638 HB3 SER 89 1HB SER 89 -11.228 -4.219 -5.543 639 HG SER 89 HG SER 89 -9.403 -2.218 -4.706 640 H ARG 90 H ARG 90 -10.280 -2.009 -8.868 641 HA ARG 90 HA ARG 90 -11.731 -4.106 -10.333 642 HB2 ARG 90 2HB ARG 90 -11.876 -1.099 -10.772 643 HB3 ARG 90 1HB ARG 90 -12.930 -2.319 -11.477 644 HG2 ARG 90 2HG ARG 90 -12.800 -1.509 -8.570 645 HG3 ARG 90 1HG ARG 90 -14.112 -1.184 -9.702 646 HD2 ARG 90 2HD ARG 90 -14.745 -3.455 -9.774 647 HD3 ARG 90 1HD ARG 90 -13.230 -3.985 -9.051 648 HE ARG 90 HE ARG 90 -15.202 -2.407 -7.522 649 HH11 ARG 90 1HH1 ARG 90 -13.021 -5.217 -7.758 650 HH12 ARG 90 2HH1 ARG 90 -13.438 -5.831 -6.230 651 HH21 ARG 90 1HH2 ARG 90 -15.679 -3.151 -5.545 652 HH22 ARG 90 2HH2 ARG 90 -15.060 -4.594 -4.836 653 H SER 91 H SER 91 -8.940 -3.171 -9.900 654 HA SER 91 HA SER 91 -6.968 -2.802 -10.923 655 HB2 SER 91 2HB SER 91 -7.966 -5.299 -12.267 656 HB3 SER 91 1HB SER 91 -6.277 -4.839 -12.034 657 HG SER 91 HG SER 91 -7.188 -4.678 -9.650 658 HA PRO 92 HA PRO 92 -7.664 -1.135 -15.038 659 HB2 PRO 92 2HB PRO 92 -6.909 1.467 -14.399 660 HB3 PRO 92 1HB PRO 92 -8.586 0.887 -14.436 661 HG2 PRO 92 2HG PRO 92 -7.155 1.747 -12.160 662 HG3 PRO 92 1HG PRO 92 -8.762 1.000 -12.206 663 HD2 PRO 92 2HD PRO 92 -6.136 -0.249 -11.624 664 HD3 PRO 92 1HD PRO 92 -7.762 -0.690 -11.044 665 H GLU 93 H GLU 93 -6.039 -1.869 -16.107 666 HA GLU 93 HA GLU 93 -3.965 -2.537 -16.651 667 HB2 GLU 93 2HB GLU 93 -4.264 0.395 -17.274 668 HB3 GLU 93 1HB GLU 93 -2.974 -0.584 -17.951 669 HG2 GLU 93 2HG GLU 93 -4.880 -0.300 -19.519 670 HG3 GLU 93 1HG GLU 93 -4.581 -1.983 -19.127 Start of MODEL 6 1 H ASP 14 1H ASP 14 -3.629 4.288 -0.603 2 HA ASP 14 HA ASP 14 -0.743 4.844 -0.652 3 HB2 ASP 14 2HB ASP 14 -1.436 2.702 0.533 4 HB3 ASP 14 1HB ASP 14 -2.245 2.215 -0.949 5 H ASN 15 H ASN 15 -0.014 5.063 -2.791 6 HA ASN 15 HA ASN 15 -1.998 4.708 -4.911 7 HB2 ASN 15 2HB ASN 15 -0.624 7.345 -4.308 8 HB3 ASN 15 1HB ASN 15 -1.468 6.982 -5.806 9 HD21 ASN 15 1HD2 ASN 15 -3.694 7.059 -5.849 10 HD22 ASN 15 2HD2 ASN 15 -4.637 7.508 -4.491 11 H ARG 16 H ARG 16 -0.816 3.292 -6.265 12 HA ARG 16 HA ARG 16 1.868 4.280 -6.950 13 HB2 ARG 16 2HB ARG 16 0.927 1.471 -7.602 14 HB3 ARG 16 1HB ARG 16 2.569 2.075 -7.569 15 HG2 ARG 16 2HG ARG 16 2.460 0.738 -5.679 16 HG3 ARG 16 1HG ARG 16 2.161 2.346 -5.019 17 HD2 ARG 16 2HD ARG 16 -0.286 1.890 -5.109 18 HD3 ARG 16 1HD ARG 16 0.037 0.275 -5.688 19 HE ARG 16 HE ARG 16 0.659 1.347 -3.028 20 HH11 ARG 16 1HH1 ARG 16 0.326 -1.404 -5.164 21 HH12 ARG 16 2HH1 ARG 16 0.336 -2.617 -4.009 22 HH21 ARG 16 1HH2 ARG 16 0.600 -0.211 -1.321 23 HH22 ARG 16 2HH2 ARG 16 0.497 -1.898 -1.679 24 H HIS 17 H HIS 17 -0.311 2.067 -8.828 25 HA HIS 17 HA HIS 17 -0.209 3.856 -11.085 26 HB2 HIS 17 2HB HIS 17 -1.695 1.286 -10.511 27 HB3 HIS 17 1HB HIS 17 -2.139 2.258 -11.908 28 HD1 HIS 17 HD1 HIS 17 0.749 0.114 -10.590 29 HD2 HIS 17 HD2 HIS 17 -0.441 2.114 -14.051 30 HE1 HIS 17 HE1 HIS 17 2.287 -0.642 -12.407 31 H ALA 18 H ALA 18 -2.172 3.201 -8.491 32 HA ALA 18 HA ALA 18 -4.466 4.775 -8.944 33 HB1 ALA 18 1HB ALA 18 -4.765 4.792 -6.512 34 HB2 ALA 18 2HB ALA 18 -3.166 4.048 -6.308 35 HB3 ALA 18 3HB ALA 18 -4.461 3.185 -7.132 36 H ALA 19 H ALA 19 -1.320 5.864 -8.682 37 HA ALA 19 HA ALA 19 -1.321 8.224 -7.303 38 HB1 ALA 19 1HB ALA 19 0.354 9.039 -8.831 39 HB2 ALA 19 2HB ALA 19 -0.148 7.868 -10.051 40 HB3 ALA 19 3HB ALA 19 0.594 7.314 -8.550 41 H ASP 20 H ASP 20 -3.109 7.724 -10.317 42 HA ASP 20 HA ASP 20 -3.713 10.408 -10.978 43 HB2 ASP 20 2HB ASP 20 -4.387 8.459 -12.402 44 HB3 ASP 20 1HB ASP 20 -5.562 8.009 -11.173 45 H TYR 21 H TYR 21 -5.177 8.195 -8.689 46 HA TYR 21 HA TYR 21 -7.382 9.682 -7.804 47 HB2 TYR 21 2HB TYR 21 -7.078 7.268 -7.368 48 HB3 TYR 21 1HB TYR 21 -5.748 7.636 -6.285 49 HD1 TYR 21 HD1 TYR 21 -9.387 7.799 -6.728 50 HD2 TYR 21 HD2 TYR 21 -6.164 8.420 -4.057 51 HE1 TYR 21 HE1 TYR 21 -10.968 7.978 -4.866 52 HE2 TYR 21 HE2 TYR 21 -7.740 8.602 -2.206 53 HH TYR 21 HH TYR 21 -10.892 7.691 -2.363 54 H GLN 22 H GLN 22 -4.046 10.045 -7.144 55 HA GLN 22 HA GLN 22 -4.224 11.401 -4.678 56 HB2 GLN 22 2HB GLN 22 -2.065 10.591 -5.516 57 HB3 GLN 22 1HB GLN 22 -2.154 11.678 -6.882 58 HG2 GLN 22 2HG GLN 22 -2.041 12.696 -4.063 59 HG3 GLN 22 1HG GLN 22 -0.577 12.259 -4.940 60 HE21 GLN 22 1HE2 GLN 22 -1.424 14.883 -3.925 61 HE22 GLN 22 2HE2 GLN 22 -1.490 15.899 -5.331 62 H GLN 23 H GLN 23 -4.646 12.533 -7.992 63 HA GLN 23 HA GLN 23 -4.942 15.259 -7.262 64 HB2 GLN 23 2HB GLN 23 -4.238 14.732 -9.510 65 HB3 GLN 23 1HB GLN 23 -5.676 13.769 -9.801 66 HG2 GLN 23 2HG GLN 23 -7.022 15.627 -10.044 67 HG3 GLN 23 1HG GLN 23 -5.947 16.652 -9.100 68 HE21 GLN 23 1HE2 GLN 23 -4.210 17.527 -10.022 69 HE22 GLN 23 2HE2 GLN 23 -3.946 17.611 -11.736 70 H LEU 24 H LEU 24 -7.004 12.575 -7.126 71 HA LEU 24 HA LEU 24 -9.368 14.106 -7.018 72 HB2 LEU 24 2HB LEU 24 -9.748 11.830 -7.562 73 HB3 LEU 24 1HB LEU 24 -8.864 11.151 -6.256 74 HG LEU 24 HG LEU 24 -11.482 12.643 -5.913 75 HD11 LEU 24 1HD1 LEU 24 -10.984 9.700 -6.322 76 HD12 LEU 24 2HD1 LEU 24 -11.785 10.789 -7.457 77 HD13 LEU 24 3HD1 LEU 24 -12.529 10.436 -5.898 78 HD21 LEU 24 1HD2 LEU 24 -11.639 11.269 -3.882 79 HD22 LEU 24 2HD2 LEU 24 -10.251 12.361 -3.846 80 HD23 LEU 24 3HD2 LEU 24 -10.019 10.642 -4.193 81 H ARG 25 H ARG 25 -6.771 13.837 -4.849 82 HA ARG 25 HA ARG 25 -8.369 14.318 -2.463 83 HB2 ARG 25 2HB ARG 25 -5.456 13.933 -2.957 84 HB3 ARG 25 1HB ARG 25 -5.939 14.914 -1.586 85 HG2 ARG 25 2HG ARG 25 -5.495 12.692 -0.888 86 HG3 ARG 25 1HG ARG 25 -7.210 13.035 -0.717 87 HD2 ARG 25 2HD ARG 25 -7.716 11.817 -2.661 88 HD3 ARG 25 1HD ARG 25 -6.002 11.554 -3.047 89 HE ARG 25 HE ARG 25 -7.537 10.374 -0.866 90 HH11 ARG 25 1HH1 ARG 25 -4.546 10.362 -2.790 91 HH12 ARG 25 2HH1 ARG 25 -3.875 8.990 -2.037 92 HH21 ARG 25 1HH2 ARG 25 -6.598 8.497 0.181 93 HH22 ARG 25 2HH2 ARG 25 -5.054 7.946 -0.190 94 H GLU 26 H GLU 26 -6.238 15.968 -4.698 95 HA GLU 26 HA GLU 26 -5.856 18.299 -3.271 96 HB2 GLU 26 2HB GLU 26 -4.956 19.205 -5.286 97 HB3 GLU 26 1HB GLU 26 -4.687 17.493 -5.421 98 HG2 GLU 26 2HG GLU 26 -6.595 17.243 -6.901 99 HG3 GLU 26 1HG GLU 26 -6.944 18.951 -6.646 100 H ARG 27 H ARG 27 -8.440 17.355 -5.427 101 HA ARG 27 HA ARG 27 -9.734 19.901 -5.079 102 HB2 ARG 27 2HB ARG 27 -10.658 17.556 -6.751 103 HB3 ARG 27 1HB ARG 27 -11.301 19.208 -6.815 104 HG2 ARG 27 2HG ARG 27 -9.052 20.016 -7.427 105 HG3 ARG 27 1HG ARG 27 -8.518 18.345 -7.347 106 HD2 ARG 27 2HD ARG 27 -9.985 17.804 -9.227 107 HD3 ARG 27 1HD ARG 27 -10.385 19.531 -9.366 108 HE ARG 27 HE ARG 27 -7.587 19.185 -9.198 109 HH11 ARG 27 1HH1 ARG 27 -10.143 18.900 -11.615 110 HH12 ARG 27 2HH1 ARG 27 -9.057 19.071 -12.925 111 HH21 ARG 27 1HH2 ARG 27 -6.228 19.388 -10.780 112 HH22 ARG 27 2HH2 ARG 27 -6.643 19.355 -12.443 113 H LEU 28 H LEU 28 -10.163 16.593 -3.848 114 HA LEU 28 HA LEU 28 -12.713 17.014 -2.794 115 HB2 LEU 28 2HB LEU 28 -11.014 14.860 -2.967 116 HB3 LEU 28 1HB LEU 28 -10.901 15.236 -1.276 117 HG LEU 28 HG LEU 28 -13.473 14.797 -2.721 118 HD11 LEU 28 1HD1 LEU 28 -12.159 12.765 -2.689 119 HD12 LEU 28 2HD1 LEU 28 -13.548 12.614 -1.610 120 HD13 LEU 28 3HD1 LEU 28 -11.942 12.917 -0.944 121 HD21 LEU 28 1HD2 LEU 28 -13.784 16.135 -0.734 122 HD22 LEU 28 2HD2 LEU 28 -12.882 14.965 0.229 123 HD23 LEU 28 3HD2 LEU 28 -14.440 14.520 -0.464 124 H ILE 29 H ILE 29 -9.493 17.686 -1.553 125 HA ILE 29 HA ILE 29 -10.216 18.403 1.044 126 HB ILE 29 HB ILE 29 -7.896 19.327 -0.699 127 HG12 ILE 29 2HG1 ILE 29 -8.077 17.356 1.579 128 HG13 ILE 29 1HG1 ILE 29 -7.956 16.950 -0.126 129 HG21 ILE 29 1HG2 ILE 29 -8.317 21.037 1.033 130 HG22 ILE 29 2HG2 ILE 29 -6.805 20.163 1.313 131 HG23 ILE 29 3HG2 ILE 29 -8.229 19.772 2.266 132 HD11 ILE 29 1HD1 ILE 29 -5.849 16.648 1.009 133 HD12 ILE 29 2HD1 ILE 29 -5.864 18.328 1.541 134 HD13 ILE 29 3HD1 ILE 29 -5.712 17.946 -0.180 135 H GLN 30 H GLN 30 -10.154 20.274 -1.926 136 HA GLN 30 HA GLN 30 -10.970 22.733 -0.724 137 HB2 GLN 30 2HB GLN 30 -9.791 22.652 -2.881 138 HB3 GLN 30 1HB GLN 30 -11.149 21.800 -3.596 139 HG2 GLN 30 2HG GLN 30 -12.570 23.774 -3.164 140 HG3 GLN 30 1HG GLN 30 -11.153 24.623 -2.552 141 HE21 GLN 30 1HE2 GLN 30 -12.732 23.349 -5.349 142 HE22 GLN 30 2HE2 GLN 30 -11.730 24.165 -6.511 143 H GLU 31 H GLU 31 -12.605 20.052 -2.288 144 HA GLU 31 HA GLU 31 -15.139 20.887 -2.806 145 HB2 GLU 31 2HB GLU 31 -14.273 18.704 -3.379 146 HB3 GLU 31 1HB GLU 31 -14.203 18.246 -1.691 147 HG2 GLU 31 2HG GLU 31 -16.050 17.149 -2.742 148 HG3 GLU 31 1HG GLU 31 -16.665 18.347 -1.610 149 H LEU 32 H LEU 32 -14.177 19.392 0.346 150 HA LEU 32 HA LEU 32 -16.552 20.720 1.446 151 HB2 LEU 32 2HB LEU 32 -14.955 18.408 2.481 152 HB3 LEU 32 1HB LEU 32 -16.231 19.188 3.397 153 HG LEU 32 HG LEU 32 -16.542 17.740 0.778 154 HD11 LEU 32 1HD1 LEU 32 -17.671 16.064 2.167 155 HD12 LEU 32 2HD1 LEU 32 -17.221 16.971 3.610 156 HD13 LEU 32 3HD1 LEU 32 -15.974 16.247 2.594 157 HD21 LEU 32 1HD2 LEU 32 -18.583 18.926 2.661 158 HD22 LEU 32 2HD2 LEU 32 -18.943 17.917 1.262 159 HD23 LEU 32 3HD2 LEU 32 -18.210 19.502 1.033 160 H ASN 33 H ASN 33 -13.603 21.727 1.052 161 HA ASN 33 HA ASN 33 -12.092 23.065 2.125 162 HB2 ASN 33 2HB ASN 33 -14.520 23.697 3.849 163 HB3 ASN 33 1HB ASN 33 -13.004 24.584 3.943 164 HD21 ASN 33 1HD2 ASN 33 -15.829 23.951 2.064 165 HD22 ASN 33 2HD2 ASN 33 -15.614 25.261 0.941 166 H LEU 34 H LEU 34 -11.842 20.566 2.705 167 HA LEU 34 HA LEU 34 -11.899 19.960 5.527 168 HB2 LEU 34 2HB LEU 34 -10.795 18.383 3.188 169 HB3 LEU 34 1HB LEU 34 -11.011 17.785 4.819 170 HG LEU 34 HG LEU 34 -13.275 18.822 3.208 171 HD11 LEU 34 1HD1 LEU 34 -12.244 16.921 1.963 172 HD12 LEU 34 2HD1 LEU 34 -13.829 16.487 2.553 173 HD13 LEU 34 3HD1 LEU 34 -12.390 15.913 3.400 174 HD21 LEU 34 1HD2 LEU 34 -13.688 18.664 5.578 175 HD22 LEU 34 2HD2 LEU 34 -13.152 16.982 5.590 176 HD23 LEU 34 3HD2 LEU 34 -14.623 17.433 4.729 177 H THR 35 H THR 35 -10.219 20.133 6.864 178 HA THR 35 HA THR 35 -7.752 21.301 6.026 179 HB THR 35 HB THR 35 -8.424 19.886 8.633 180 HG1 THR 35 1HG THR 35 -9.521 22.143 7.492 181 HG21 THR 35 1HG2 THR 35 -6.691 22.296 8.017 182 HG22 THR 35 2HG2 THR 35 -6.102 20.678 8.410 183 HG23 THR 35 3HG2 THR 35 -6.971 21.619 9.620 184 HA PRO 36 HA PRO 36 -5.823 17.310 4.859 185 HB2 PRO 36 2HB PRO 36 -3.431 18.266 6.375 186 HB3 PRO 36 1HB PRO 36 -3.528 17.679 4.700 187 HG2 PRO 36 2HG PRO 36 -3.223 20.246 5.149 188 HG3 PRO 36 1HG PRO 36 -4.323 19.677 3.876 189 HD2 PRO 36 2HD PRO 36 -4.985 20.775 6.568 190 HD3 PRO 36 1HD PRO 36 -5.818 20.996 5.016 191 H GLN 37 H GLN 37 -5.545 18.457 8.162 192 HA GLN 37 HA GLN 37 -5.085 15.866 9.275 193 HB2 GLN 37 2HB GLN 37 -6.007 18.421 10.626 194 HB3 GLN 37 1HB GLN 37 -5.584 16.949 11.477 195 HG2 GLN 37 2HG GLN 37 -3.673 18.220 11.715 196 HG3 GLN 37 1HG GLN 37 -3.276 17.232 10.321 197 HE21 GLN 37 1HE2 GLN 37 -2.181 19.764 11.174 198 HE22 GLN 37 2HE2 GLN 37 -2.416 20.872 9.868 199 H GLN 38 H GLN 38 -7.808 17.236 7.890 200 HA GLN 38 HA GLN 38 -9.687 15.630 9.431 201 HB2 GLN 38 2HB GLN 38 -10.095 18.102 9.318 202 HB3 GLN 38 1HB GLN 38 -10.044 18.003 7.568 203 HG2 GLN 38 2HG GLN 38 -12.288 18.173 8.260 204 HG3 GLN 38 1HG GLN 38 -11.959 16.566 7.599 205 HE21 GLN 38 1HE2 GLN 38 -13.745 15.682 8.669 206 HE22 GLN 38 2HE2 GLN 38 -13.721 15.403 10.381 207 H LEU 39 H LEU 39 -7.689 15.552 6.777 208 HA LEU 39 HA LEU 39 -9.469 13.823 5.365 209 HB2 LEU 39 2HB LEU 39 -9.788 16.170 4.425 210 HB3 LEU 39 1HB LEU 39 -8.145 16.093 3.857 211 HG LEU 39 HG LEU 39 -10.044 15.661 2.194 212 HD11 LEU 39 1HD1 LEU 39 -8.763 14.015 0.939 213 HD12 LEU 39 2HD1 LEU 39 -7.836 13.624 2.391 214 HD13 LEU 39 3HD1 LEU 39 -7.697 15.225 1.660 215 HD21 LEU 39 1HD2 LEU 39 -11.307 14.108 3.593 216 HD22 LEU 39 2HD2 LEU 39 -9.979 12.939 3.490 217 HD23 LEU 39 3HD2 LEU 39 -10.867 13.384 2.046 218 H HIS 40 H HIS 40 -8.094 12.420 6.265 219 HA HIS 40 HA HIS 40 -5.749 11.912 4.619 220 HB2 HIS 40 2HB HIS 40 -5.061 12.179 6.999 221 HB3 HIS 40 1HB HIS 40 -6.276 11.008 7.494 222 HD1 HIS 40 HD1 HIS 40 -5.293 8.824 7.992 223 HD2 HIS 40 HD2 HIS 40 -3.142 10.799 5.050 224 HE1 HIS 40 HE1 HIS 40 -3.584 7.195 7.227 225 H GLU 41 H GLU 41 -5.532 9.313 4.447 226 HA GLU 41 HA GLU 41 -7.929 8.891 3.154 227 HB2 GLU 41 2HB GLU 41 -7.000 6.664 2.321 228 HB3 GLU 41 1HB GLU 41 -6.290 8.175 1.803 229 HG2 GLU 41 2HG GLU 41 -4.450 7.848 3.372 230 HG3 GLU 41 1HG GLU 41 -5.167 6.313 3.876 231 H GLU 42 H GLU 42 -7.542 8.161 6.311 232 HA GLU 42 HA GLU 42 -9.349 5.847 6.135 233 HB2 GLU 42 2HB GLU 42 -8.720 5.326 8.375 234 HB3 GLU 42 1HB GLU 42 -7.274 5.996 7.698 235 HG2 GLU 42 2HG GLU 42 -9.190 7.627 9.342 236 HG3 GLU 42 1HG GLU 42 -7.792 6.786 10.001 237 H SER 43 H SER 43 -9.435 9.139 6.261 238 HA SER 43 HA SER 43 -11.483 9.640 8.091 239 HB2 SER 43 2HB SER 43 -10.644 11.252 5.677 240 HB3 SER 43 1HB SER 43 -11.536 11.850 7.077 241 HG SER 43 HG SER 43 -9.078 10.596 7.657 242 H ASN 44 H ASN 44 -13.566 9.378 7.966 243 HA ASN 44 HA ASN 44 -14.810 8.169 5.686 244 HB2 ASN 44 2HB ASN 44 -15.458 7.504 7.983 245 HB3 ASN 44 1HB ASN 44 -16.063 9.122 8.284 246 HD21 ASN 44 1HD2 ASN 44 -17.383 6.484 8.365 247 HD22 ASN 44 2HD2 ASN 44 -18.750 6.616 7.326 248 H LEU 45 H LEU 45 -15.604 9.120 4.084 249 HA LEU 45 HA LEU 45 -15.669 11.972 3.925 250 HB2 LEU 45 2HB LEU 45 -16.201 9.837 1.900 251 HB3 LEU 45 1HB LEU 45 -16.343 11.551 1.559 252 HG LEU 45 HG LEU 45 -13.759 10.206 2.444 253 HD11 LEU 45 1HD1 LEU 45 -13.053 10.532 0.187 254 HD12 LEU 45 2HD1 LEU 45 -14.670 11.096 -0.253 255 HD13 LEU 45 3HD1 LEU 45 -14.426 9.433 0.297 256 HD21 LEU 45 1HD2 LEU 45 -14.366 13.022 1.465 257 HD22 LEU 45 2HD2 LEU 45 -12.772 12.354 1.750 258 HD23 LEU 45 3HD2 LEU 45 -13.877 12.574 3.098 259 H ILE 46 H ILE 46 -18.169 9.590 4.377 260 HA ILE 46 HA ILE 46 -20.236 11.412 3.514 261 HB ILE 46 HB ILE 46 -20.421 8.777 5.018 262 HG12 ILE 46 2HG1 ILE 46 -19.763 8.538 2.693 263 HG13 ILE 46 1HG1 ILE 46 -21.385 7.902 2.931 264 HG21 ILE 46 1HG2 ILE 46 -22.852 8.826 4.674 265 HG22 ILE 46 2HG2 ILE 46 -22.719 10.460 4.023 266 HG23 ILE 46 3HG2 ILE 46 -22.306 10.148 5.708 267 HD11 ILE 46 1HD1 ILE 46 -20.640 10.538 1.681 268 HD12 ILE 46 2HD1 ILE 46 -22.291 9.974 1.963 269 HD13 ILE 46 3HD1 ILE 46 -21.238 9.099 0.852 270 H GLN 47 H GLN 47 -18.656 10.542 6.443 271 HA GLN 47 HA GLN 47 -20.389 12.126 8.120 272 HB2 GLN 47 2HB GLN 47 -17.650 10.993 8.716 273 HB3 GLN 47 1HB GLN 47 -18.723 11.723 9.901 274 HG2 GLN 47 2HG GLN 47 -20.372 9.940 9.459 275 HG3 GLN 47 1HG GLN 47 -19.231 9.205 8.336 276 HE21 GLN 47 1HE2 GLN 47 -16.934 9.910 10.078 277 HE22 GLN 47 2HE2 GLN 47 -17.023 8.773 11.384 278 H ALA 48 H ALA 48 -17.837 12.721 6.030 279 HA ALA 48 HA ALA 48 -17.027 15.211 7.237 280 HB1 ALA 48 1HB ALA 48 -15.401 13.895 5.933 281 HB2 ALA 48 2HB ALA 48 -15.648 15.489 5.218 282 HB3 ALA 48 3HB ALA 48 -16.414 14.073 4.499 283 H GLY 49 H GLY 49 -19.248 14.023 4.845 284 HA2 GLY 49 2HA GLY 49 -21.302 15.263 4.715 285 HA3 GLY 49 1HA GLY 49 -20.355 16.742 4.699 286 H LEU 50 H LEU 50 -19.530 13.928 2.703 287 HA LEU 50 HA LEU 50 -19.854 15.530 0.335 288 HB2 LEU 50 2HB LEU 50 -19.262 12.606 0.631 289 HB3 LEU 50 1HB LEU 50 -19.391 13.421 -0.904 290 HG LEU 50 HG LEU 50 -17.275 13.890 1.207 291 HD11 LEU 50 1HD1 LEU 50 -17.172 11.853 -0.184 292 HD12 LEU 50 2HD1 LEU 50 -15.830 12.986 -0.460 293 HD13 LEU 50 3HD1 LEU 50 -17.195 12.912 -1.597 294 HD21 LEU 50 1HD2 LEU 50 -17.949 15.987 -0.044 295 HD22 LEU 50 2HD2 LEU 50 -17.433 15.155 -1.530 296 HD23 LEU 50 3HD2 LEU 50 -16.286 15.467 -0.221 297 H ASP 51 H ASP 51 -21.862 16.023 -0.287 298 HA ASP 51 HA ASP 51 -24.067 14.246 0.013 299 HB2 ASP 51 2HB ASP 51 -25.352 15.801 -1.409 300 HB3 ASP 51 1HB ASP 51 -24.470 16.682 -0.172 301 H SER 52 H SER 52 -25.385 13.573 -1.993 302 HA SER 52 HA SER 52 -23.682 11.798 -3.255 303 HB2 SER 52 2HB SER 52 -26.568 12.228 -3.981 304 HB3 SER 52 1HB SER 52 -25.473 10.857 -4.313 305 HG SER 52 HG SER 52 -25.767 10.114 -2.451 306 H ILE 53 H ILE 53 -24.478 15.008 -4.265 307 HA ILE 53 HA ILE 53 -24.188 14.347 -7.043 308 HB ILE 53 HB ILE 53 -23.813 17.072 -5.759 309 HG12 ILE 53 2HG1 ILE 53 -26.127 16.273 -5.443 310 HG13 ILE 53 1HG1 ILE 53 -26.085 17.593 -6.603 311 HG21 ILE 53 1HG2 ILE 53 -24.243 16.353 -8.682 312 HG22 ILE 53 2HG2 ILE 53 -22.691 16.687 -8.000 313 HG23 ILE 53 3HG2 ILE 53 -23.917 17.970 -8.046 314 HD11 ILE 53 1HD1 ILE 53 -26.339 14.658 -7.253 315 HD12 ILE 53 2HD1 ILE 53 -26.266 15.964 -8.434 316 HD13 ILE 53 3HD1 ILE 53 -27.625 15.863 -7.315 317 H ARG 54 H ARG 54 -22.274 15.602 -4.424 318 HA ARG 54 HA ARG 54 -19.855 15.904 -5.853 319 HB2 ARG 54 2HB ARG 54 -20.086 15.126 -2.939 320 HB3 ARG 54 1HB ARG 54 -18.733 15.949 -3.706 321 HG2 ARG 54 2HG ARG 54 -20.219 17.860 -4.180 322 HG3 ARG 54 1HG ARG 54 -21.500 17.041 -3.290 323 HD2 ARG 54 2HD ARG 54 -19.854 16.961 -1.350 324 HD3 ARG 54 1HD ARG 54 -18.907 18.136 -2.266 325 HE ARG 54 HE ARG 54 -21.721 18.567 -1.639 326 HH11 ARG 54 1HH1 ARG 54 -18.508 19.967 -1.944 327 HH12 ARG 54 2HH1 ARG 54 -18.709 21.229 -0.870 328 HH21 ARG 54 1HH2 ARG 54 -22.159 20.332 -0.238 329 HH22 ARG 54 2HH2 ARG 54 -20.966 21.509 0.150 330 H LEU 55 H LEU 55 -21.261 13.238 -4.127 331 HA LEU 55 HA LEU 55 -19.323 11.280 -4.433 332 HB2 LEU 55 2HB LEU 55 -22.278 11.244 -4.375 333 HB3 LEU 55 1HB LEU 55 -21.533 9.714 -4.391 334 HG LEU 55 HG LEU 55 -21.504 11.821 -2.233 335 HD11 LEU 55 1HD1 LEU 55 -22.140 8.887 -2.162 336 HD12 LEU 55 2HD1 LEU 55 -23.327 10.181 -2.229 337 HD13 LEU 55 3HD1 LEU 55 -22.270 10.021 -0.827 338 HD21 LEU 55 1HD2 LEU 55 -19.651 9.454 -2.412 339 HD22 LEU 55 2HD2 LEU 55 -19.950 10.396 -0.962 340 HD23 LEU 55 3HD2 LEU 55 -19.205 11.170 -2.361 341 H MET 56 H MET 56 -21.994 12.052 -6.675 342 HA MET 56 HA MET 56 -20.906 10.195 -8.571 343 HB2 MET 56 2HB MET 56 -22.749 10.792 -10.076 344 HB3 MET 56 1HB MET 56 -23.288 10.328 -8.473 345 HG2 MET 56 2HG MET 56 -23.497 12.740 -7.940 346 HG3 MET 56 1HG MET 56 -23.169 13.095 -9.638 347 HE1 MET 56 HE1 MET 56 -25.204 10.024 -8.168 348 HE2 MET 56 HE2 MET 56 -26.826 10.711 -8.109 349 HE3 MET 56 HE3 MET 56 -25.547 11.364 -7.085 350 H ARG 57 H ARG 57 -20.433 13.525 -7.993 351 HA ARG 57 HA ARG 57 -19.558 14.357 -10.450 352 HB2 ARG 57 2HB ARG 57 -18.367 15.022 -7.738 353 HB3 ARG 57 1HB ARG 57 -17.830 15.797 -9.213 354 HG2 ARG 57 2HG ARG 57 -20.082 16.712 -9.528 355 HG3 ARG 57 1HG ARG 57 -20.592 15.928 -8.031 356 HD2 ARG 57 2HD ARG 57 -18.767 17.225 -6.851 357 HD3 ARG 57 1HD ARG 57 -18.524 18.093 -8.356 358 HE ARG 57 HE ARG 57 -21.130 18.430 -7.972 359 HH11 ARG 57 1HH1 ARG 57 -18.363 18.889 -5.728 360 HH12 ARG 57 2HH1 ARG 57 -19.040 20.058 -4.834 361 HH21 ARG 57 1HH2 ARG 57 -22.164 20.165 -6.663 362 HH22 ARG 57 2HH2 ARG 57 -21.282 20.839 -5.370 363 H TRP 58 H TRP 58 -17.968 12.727 -7.758 364 HA TRP 58 HA TRP 58 -15.442 12.365 -8.845 365 HB2 TRP 58 2HB TRP 58 -16.862 10.991 -6.594 366 HB3 TRP 58 1HB TRP 58 -15.220 10.567 -7.064 367 HD1 TRP 58 HD1 TRP 58 -16.774 12.521 -4.490 368 HE1 TRP 58 HE1 TRP 58 -15.300 14.410 -3.699 369 HE3 TRP 58 HE3 TRP 58 -13.500 12.685 -8.430 370 HZ2 TRP 58 HZ2 TRP 58 -12.963 15.833 -4.645 371 HZ3 TRP 58 HZ3 TRP 58 -11.714 14.345 -8.398 372 HH2 TRP 58 HH2 TRP 58 -11.465 15.878 -6.543 373 H LEU 59 H LEU 59 -18.279 10.324 -8.992 374 HA LEU 59 HA LEU 59 -17.146 7.989 -10.011 375 HB2 LEU 59 2HB LEU 59 -19.499 8.111 -9.385 376 HB3 LEU 59 1HB LEU 59 -19.807 9.237 -10.690 377 HG LEU 59 HG LEU 59 -19.357 7.495 -12.329 378 HD11 LEU 59 1HD1 LEU 59 -19.137 5.148 -11.638 379 HD12 LEU 59 2HD1 LEU 59 -19.013 5.660 -9.951 380 HD13 LEU 59 3HD1 LEU 59 -17.771 6.126 -11.117 381 HD21 LEU 59 1HD2 LEU 59 -21.385 6.706 -10.244 382 HD22 LEU 59 2HD2 LEU 59 -21.351 6.132 -11.911 383 HD23 LEU 59 3HD2 LEU 59 -21.633 7.840 -11.572 384 H HIS 60 H HIS 60 -17.910 10.968 -11.643 385 HA HIS 60 HA HIS 60 -17.288 9.940 -14.243 386 HB2 HIS 60 2HB HIS 60 -17.874 12.720 -13.230 387 HB3 HIS 60 1HB HIS 60 -17.450 12.393 -14.911 388 HD1 HIS 60 HD1 HIS 60 -20.260 11.831 -12.411 389 HD2 HIS 60 HD2 HIS 60 -19.375 11.175 -16.422 390 HE1 HIS 60 HE1 HIS 60 -22.405 11.094 -13.493 391 H TRP 61 H TRP 61 -15.612 11.557 -11.708 392 HA TRP 61 HA TRP 61 -13.310 12.274 -13.215 393 HB2 TRP 61 2HB TRP 61 -13.960 13.337 -11.034 394 HB3 TRP 61 1HB TRP 61 -13.568 11.814 -10.239 395 HD1 TRP 61 HD1 TRP 61 -11.972 14.943 -11.626 396 HE1 TRP 61 HE1 TRP 61 -9.434 14.899 -11.137 397 HE3 TRP 61 HE3 TRP 61 -11.541 10.166 -9.898 398 HZ2 TRP 61 HZ2 TRP 61 -7.563 13.124 -10.166 399 HZ3 TRP 61 HZ3 TRP 61 -9.330 9.378 -9.205 400 HH2 TRP 61 HH2 TRP 61 -7.384 10.846 -9.350 401 H PHE 62 H PHE 62 -14.260 9.470 -11.301 402 HA PHE 62 HA PHE 62 -11.814 8.045 -11.503 403 HB2 PHE 62 2HB PHE 62 -14.658 7.077 -11.167 404 HB3 PHE 62 1HB PHE 62 -13.291 5.979 -11.218 405 HD1 PHE 62 HD1 PHE 62 -15.367 7.935 -9.146 406 HD2 PHE 62 HD2 PHE 62 -11.447 6.435 -9.543 407 HE1 PHE 62 HE1 PHE 62 -15.046 8.199 -6.729 408 HE2 PHE 62 HE2 PHE 62 -11.104 6.691 -7.097 409 HZ PHE 62 HZ PHE 62 -12.894 7.575 -5.714 410 H ARG 63 H ARG 63 -14.752 7.986 -13.357 411 HA ARG 63 HA ARG 63 -13.954 6.009 -15.174 412 HB2 ARG 63 2HB ARG 63 -16.263 7.032 -14.449 413 HB3 ARG 63 1HB ARG 63 -16.043 8.004 -15.907 414 HG2 ARG 63 2HG ARG 63 -15.777 5.825 -17.153 415 HG3 ARG 63 1HG ARG 63 -16.192 5.031 -15.618 416 HD2 ARG 63 2HD ARG 63 -18.168 5.242 -17.035 417 HD3 ARG 63 1HD ARG 63 -18.321 6.185 -15.553 418 HE ARG 63 HE ARG 63 -17.429 7.452 -18.029 419 HH11 ARG 63 1HH1 ARG 63 -19.844 7.239 -15.438 420 HH12 ARG 63 2HH1 ARG 63 -20.697 8.643 -15.894 421 HH21 ARG 63 1HH2 ARG 63 -18.649 9.401 -18.695 422 HH22 ARG 63 2HH2 ARG 63 -20.006 9.881 -17.791 423 H LYS 64 H LYS 64 -13.137 9.275 -14.952 424 HA LYS 64 HA LYS 64 -12.558 10.330 -17.421 425 HB2 LYS 64 2HB LYS 64 -12.173 11.456 -15.295 426 HB3 LYS 64 1HB LYS 64 -10.898 10.336 -14.897 427 HG2 LYS 64 2HG LYS 64 -9.529 11.286 -16.715 428 HG3 LYS 64 1HG LYS 64 -10.828 12.428 -17.072 429 HD2 LYS 64 2HD LYS 64 -9.444 13.711 -15.693 430 HD3 LYS 64 1HD LYS 64 -10.620 13.086 -14.554 431 HE2 LYS 64 2HE LYS 64 -7.770 12.096 -14.970 432 HE3 LYS 64 1HE LYS 64 -8.369 12.998 -13.593 433 HZ1 LYS 64 1HZ LYS 64 -8.930 10.224 -14.369 434 HZ2 LYS 64 2HZ LYS 64 -9.806 10.940 -13.110 435 HZ3 LYS 64 3HZ LYS 64 -8.132 10.695 -12.989 436 H ASN 65 H ASN 65 -10.602 7.986 -15.595 437 HA ASN 65 HA ASN 65 -8.800 7.666 -17.934 438 HB2 ASN 65 2HB ASN 65 -8.386 6.773 -15.061 439 HB3 ASN 65 1HB ASN 65 -7.251 6.515 -16.373 440 HD21 ASN 65 1HD2 ASN 65 -5.655 7.614 -15.196 441 HD22 ASN 65 2HD2 ASN 65 -5.716 9.328 -14.972 442 H GLY 66 H GLY 66 -11.515 6.565 -17.193 443 HA2 GLY 66 2HA GLY 66 -12.628 4.629 -17.625 444 HA3 GLY 66 1HA GLY 66 -11.101 3.932 -18.156 445 H TYR 67 H TYR 67 -11.390 5.345 -14.939 446 HA TYR 67 HA TYR 67 -10.675 2.856 -13.821 447 HB2 TYR 67 2HB TYR 67 -11.489 5.410 -12.443 448 HB3 TYR 67 1HB TYR 67 -11.117 3.935 -11.554 449 HD1 TYR 67 HD1 TYR 67 -8.838 2.793 -12.416 450 HD2 TYR 67 HD2 TYR 67 -9.790 6.917 -12.608 451 HE1 TYR 67 HE1 TYR 67 -6.449 3.316 -12.510 452 HE2 TYR 67 HE2 TYR 67 -7.388 7.468 -12.720 453 HH TYR 67 HH TYR 67 -5.254 6.468 -12.123 454 H ARG 68 H ARG 68 -11.959 2.098 -11.841 455 HA ARG 68 HA ARG 68 -14.567 1.529 -13.078 456 HB2 ARG 68 2HB ARG 68 -12.435 -0.571 -12.703 457 HB3 ARG 68 1HB ARG 68 -14.121 -0.942 -13.052 458 HG2 ARG 68 2HG ARG 68 -13.996 0.114 -15.179 459 HG3 ARG 68 1HG ARG 68 -12.437 0.831 -14.800 460 HD2 ARG 68 2HD ARG 68 -12.976 -2.121 -15.137 461 HD3 ARG 68 1HD ARG 68 -12.265 -1.071 -16.358 462 HE ARG 68 HE ARG 68 -10.967 -2.277 -14.122 463 HH11 ARG 68 1HH1 ARG 68 -10.775 0.708 -16.098 464 HH12 ARG 68 2HH1 ARG 68 -9.100 0.805 -16.035 465 HH21 ARG 68 1HH2 ARG 68 -8.595 -2.089 -14.045 466 HH22 ARG 68 2HH2 ARG 68 -7.838 -0.777 -14.780 467 H LEU 69 H LEU 69 -15.766 2.168 -11.423 468 HA LEU 69 HA LEU 69 -16.097 0.233 -9.394 469 HB2 LEU 69 2HB LEU 69 -15.870 1.834 -7.463 470 HB3 LEU 69 1HB LEU 69 -14.369 1.341 -8.203 471 HG LEU 69 HG LEU 69 -14.406 3.580 -9.432 472 HD11 LEU 69 1HD1 LEU 69 -16.485 4.232 -7.358 473 HD12 LEU 69 2HD1 LEU 69 -16.723 4.188 -9.104 474 HD13 LEU 69 3HD1 LEU 69 -15.653 5.396 -8.390 475 HD21 LEU 69 1HD2 LEU 69 -14.142 3.525 -6.437 476 HD22 LEU 69 2HD2 LEU 69 -13.493 4.774 -7.498 477 HD23 LEU 69 3HD2 LEU 69 -12.895 3.119 -7.615 478 H THR 70 H THR 70 -18.015 0.595 -8.156 479 HA THR 70 HA THR 70 -19.790 2.396 -9.597 480 HB THR 70 HB THR 70 -21.666 1.050 -8.602 481 HG1 THR 70 1HG THR 70 -19.492 -0.385 -7.515 482 HG21 THR 70 1HG2 THR 70 -20.899 0.550 -10.864 483 HG22 THR 70 2HG2 THR 70 -21.393 -0.930 -10.041 484 HG23 THR 70 3HG2 THR 70 -19.681 -0.551 -10.221 485 H LEU 71 H LEU 71 -20.976 3.899 -8.462 486 HA LEU 71 HA LEU 71 -19.790 5.034 -6.196 487 HB2 LEU 71 2HB LEU 71 -21.375 6.051 -7.940 488 HB3 LEU 71 1HB LEU 71 -22.593 5.273 -6.935 489 HG LEU 71 HG LEU 71 -22.127 6.653 -5.065 490 HD11 LEU 71 1HD1 LEU 71 -19.963 7.622 -6.823 491 HD12 LEU 71 2HD1 LEU 71 -19.818 6.813 -5.253 492 HD13 LEU 71 3HD1 LEU 71 -20.429 8.478 -5.349 493 HD21 LEU 71 1HD2 LEU 71 -23.661 7.559 -6.755 494 HD22 LEU 71 2HD2 LEU 71 -22.294 8.315 -7.578 495 HD23 LEU 71 3HD2 LEU 71 -22.747 8.840 -5.958 496 H ARG 72 H ARG 72 -22.197 2.674 -6.598 497 HA ARG 72 HA ARG 72 -23.548 2.480 -4.189 498 HB2 ARG 72 2HB ARG 72 -24.238 1.203 -6.075 499 HB3 ARG 72 1HB ARG 72 -22.669 0.458 -6.274 500 HG2 ARG 72 2HG ARG 72 -24.539 -0.093 -3.992 501 HG3 ARG 72 1HG ARG 72 -24.669 -0.912 -5.550 502 HD2 ARG 72 2HD ARG 72 -22.324 -0.733 -3.830 503 HD3 ARG 72 1HD ARG 72 -23.364 -2.195 -3.902 504 HE ARG 72 HE ARG 72 -21.965 -1.190 -6.316 505 HH11 ARG 72 1HH1 ARG 72 -22.204 -3.782 -3.920 506 HH12 ARG 72 2HH1 ARG 72 -21.107 -4.811 -4.723 507 HH21 ARG 72 1HH2 ARG 72 -20.477 -2.544 -7.393 508 HH22 ARG 72 2HH2 ARG 72 -20.070 -4.075 -6.783 509 H GLU 73 H GLU 73 -20.292 1.738 -4.976 510 HA GLU 73 HA GLU 73 -19.821 0.095 -2.598 511 HB2 GLU 73 2HB GLU 73 -17.949 1.022 -4.781 512 HB3 GLU 73 1HB GLU 73 -17.517 -0.092 -3.486 513 HG2 GLU 73 2HG GLU 73 -19.034 -1.727 -4.281 514 HG3 GLU 73 1HG GLU 73 -19.746 -0.569 -5.402 515 H LEU 74 H LEU 74 -19.393 3.283 -3.739 516 HA LEU 74 HA LEU 74 -17.437 4.089 -1.802 517 HB2 LEU 74 2HB LEU 74 -19.181 5.866 -3.510 518 HB3 LEU 74 1HB LEU 74 -17.710 6.334 -2.700 519 HG LEU 74 HG LEU 74 -17.978 4.511 -5.090 520 HD11 LEU 74 1HD1 LEU 74 -16.570 7.131 -4.704 521 HD12 LEU 74 2HD1 LEU 74 -17.995 6.832 -5.704 522 HD13 LEU 74 3HD1 LEU 74 -16.447 6.123 -6.135 523 HD21 LEU 74 1HD2 LEU 74 -16.335 3.528 -3.622 524 HD22 LEU 74 2HD2 LEU 74 -15.501 5.077 -3.479 525 HD23 LEU 74 3HD2 LEU 74 -15.549 4.239 -5.031 526 H TYR 75 H TYR 75 -20.857 3.918 -1.907 527 HA TYR 75 HA TYR 75 -21.311 5.558 0.425 528 HB2 TYR 75 2HB TYR 75 -23.032 3.513 -0.974 529 HB3 TYR 75 1HB TYR 75 -23.520 4.315 0.514 530 HD1 TYR 75 HD1 TYR 75 -23.097 4.621 -3.085 531 HD2 TYR 75 HD2 TYR 75 -24.137 6.653 0.493 532 HE1 TYR 75 HE1 TYR 75 -24.179 6.378 -4.408 533 HE2 TYR 75 HE2 TYR 75 -25.209 8.424 -0.807 534 HH TYR 75 HH TYR 75 -25.922 8.068 -4.100 535 H ALA 76 H ALA 76 -20.734 2.185 -0.280 536 HA ALA 76 HA ALA 76 -21.502 1.121 2.229 537 HB1 ALA 76 1HB ALA 76 -19.643 -0.050 0.158 538 HB2 ALA 76 2HB ALA 76 -21.395 -0.246 0.192 539 HB3 ALA 76 3HB ALA 76 -20.406 -0.931 1.482 540 H ALA 77 H ALA 77 -18.363 1.965 0.846 541 HA ALA 77 HA ALA 77 -17.397 2.173 3.590 542 HB1 ALA 77 1HB ALA 77 -15.185 1.402 2.873 543 HB2 ALA 77 2HB ALA 77 -15.799 1.133 1.242 544 HB3 ALA 77 3HB ALA 77 -16.406 0.161 2.584 545 HA PRO 78 HA PRO 78 -16.726 6.017 1.410 546 HB2 PRO 78 2HB PRO 78 -17.835 7.662 3.266 547 HB3 PRO 78 1HB PRO 78 -18.763 6.831 1.998 548 HG2 PRO 78 2HG PRO 78 -18.797 6.353 4.850 549 HG3 PRO 78 1HG PRO 78 -19.873 5.722 3.594 550 HD2 PRO 78 2HD PRO 78 -17.623 4.407 4.881 551 HD3 PRO 78 1HD PRO 78 -18.862 3.726 3.806 552 H THR 79 H THR 79 -14.510 5.608 1.844 553 HA THR 79 HA THR 79 -13.365 7.598 3.600 554 HB THR 79 HB THR 79 -11.534 5.883 4.131 555 HG1 THR 79 1HG THR 79 -13.470 3.879 3.817 556 HG21 THR 79 1HG2 THR 79 -12.653 4.942 6.080 557 HG22 THR 79 2HG2 THR 79 -14.230 5.351 5.378 558 HG23 THR 79 3HG2 THR 79 -13.108 6.633 5.847 559 H LEU 80 H LEU 80 -11.417 8.313 2.616 560 HA LEU 80 HA LEU 80 -11.263 8.289 -0.106 561 HB2 LEU 80 2HB LEU 80 -9.099 8.408 1.849 562 HB3 LEU 80 1HB LEU 80 -8.859 8.669 0.129 563 HG LEU 80 HG LEU 80 -10.643 10.399 1.861 564 HD11 LEU 80 1HD1 LEU 80 -7.850 10.728 0.851 565 HD12 LEU 80 2HD1 LEU 80 -8.370 10.676 2.555 566 HD13 LEU 80 3HD1 LEU 80 -8.827 12.029 1.515 567 HD21 LEU 80 1HD2 LEU 80 -11.216 10.354 -0.544 568 HD22 LEU 80 2HD2 LEU 80 -9.543 10.773 -0.915 569 HD23 LEU 80 3HD2 LEU 80 -10.551 11.905 -0.021 570 H ALA 81 H ALA 81 -9.507 6.312 2.197 571 HA ALA 81 HA ALA 81 -7.837 4.792 0.634 572 HB1 ALA 81 1HB ALA 81 -7.825 3.114 2.382 573 HB2 ALA 81 2HB ALA 81 -9.320 3.770 3.049 574 HB3 ALA 81 3HB ALA 81 -7.842 4.729 3.094 575 H ALA 82 H ALA 82 -11.254 4.080 1.330 576 HA ALA 82 HA ALA 82 -11.228 1.599 -0.073 577 HB1 ALA 82 1HB ALA 82 -13.638 1.656 0.130 578 HB2 ALA 82 2HB ALA 82 -13.574 3.339 0.653 579 HB3 ALA 82 3HB ALA 82 -12.877 2.071 1.667 580 H TRP 83 H TRP 83 -12.252 4.885 -1.034 581 HA TRP 83 HA TRP 83 -13.245 4.062 -3.584 582 HB2 TRP 83 2HB TRP 83 -12.015 6.861 -3.193 583 HB3 TRP 83 1HB TRP 83 -13.234 6.296 -4.305 584 HD1 TRP 83 HD1 TRP 83 -13.940 5.418 -0.728 585 HE1 TRP 83 HE1 TRP 83 -15.951 6.855 0.034 586 HE3 TRP 83 HE3 TRP 83 -14.123 8.660 -4.626 587 HZ2 TRP 83 HZ2 TRP 83 -17.365 9.094 -0.889 588 HZ3 TRP 83 HZ3 TRP 83 -15.795 10.429 -4.610 589 HH2 TRP 83 HH2 TRP 83 -17.374 10.650 -2.795 590 H ASN 84 H ASN 84 -10.145 4.992 -2.383 591 HA ASN 84 HA ASN 84 -8.619 5.007 -4.764 592 HB2 ASN 84 2HB ASN 84 -7.828 6.012 -2.692 593 HB3 ASN 84 1HB ASN 84 -7.863 4.450 -1.890 594 HD21 ASN 84 1HD2 ASN 84 -6.176 3.028 -2.208 595 HD22 ASN 84 2HD2 ASN 84 -4.737 3.510 -3.056 596 H GLN 85 H GLN 85 -9.175 2.568 -2.284 597 HA GLN 85 HA GLN 85 -7.721 0.452 -3.335 598 HB2 GLN 85 2HB GLN 85 -8.531 0.444 -1.066 599 HB3 GLN 85 1HB GLN 85 -10.191 0.562 -1.614 600 HG2 GLN 85 2HG GLN 85 -10.107 -1.635 -2.500 601 HG3 GLN 85 1HG GLN 85 -8.394 -1.810 -2.066 602 HE21 GLN 85 1HE2 GLN 85 -8.786 -3.563 -0.726 603 HE22 GLN 85 2HE2 GLN 85 -9.627 -3.402 0.780 604 H LEU 86 H LEU 86 -11.056 1.434 -3.839 605 HA LEU 86 HA LEU 86 -11.765 -0.758 -5.392 606 HB2 LEU 86 2HB LEU 86 -12.995 1.946 -5.140 607 HB3 LEU 86 1HB LEU 86 -13.723 0.620 -6.037 608 HG LEU 86 HG LEU 86 -13.021 0.482 -3.107 609 HD11 LEU 86 1HD1 LEU 86 -15.385 0.689 -2.705 610 HD12 LEU 86 2HD1 LEU 86 -15.637 0.961 -4.443 611 HD13 LEU 86 3HD1 LEU 86 -14.703 2.122 -3.482 612 HD21 LEU 86 1HD2 LEU 86 -13.080 -1.707 -4.172 613 HD22 LEU 86 2HD2 LEU 86 -14.654 -1.338 -4.874 614 HD23 LEU 86 3HD2 LEU 86 -14.483 -1.491 -3.126 615 H MET 87 H MET 87 -10.223 2.265 -6.367 616 HA MET 87 HA MET 87 -10.606 1.514 -9.148 617 HB2 MET 87 2HB MET 87 -9.142 3.392 -9.812 618 HB3 MET 87 1HB MET 87 -10.416 3.938 -8.740 619 HG2 MET 87 2HG MET 87 -8.941 4.392 -7.022 620 HG3 MET 87 1HG MET 87 -7.734 3.262 -7.622 621 HE1 MET 87 HE1 MET 87 -9.589 5.902 -9.835 622 HE2 MET 87 HE2 MET 87 -8.527 7.340 -9.700 623 HE3 MET 87 HE3 MET 87 -9.463 6.844 -8.334 624 H LEU 88 H LEU 88 -8.077 1.284 -6.754 625 HA LEU 88 HA LEU 88 -6.061 0.404 -8.515 626 HB2 LEU 88 2HB LEU 88 -5.767 1.482 -6.227 627 HB3 LEU 88 1HB LEU 88 -6.243 -0.038 -5.520 628 HG LEU 88 HG LEU 88 -3.724 0.462 -5.530 629 HD11 LEU 88 1HD1 LEU 88 -4.566 -2.065 -6.927 630 HD12 LEU 88 2HD1 LEU 88 -4.562 -1.804 -5.184 631 HD13 LEU 88 3HD1 LEU 88 -3.043 -1.782 -6.079 632 HD21 LEU 88 1HD2 LEU 88 -2.529 0.136 -7.579 633 HD22 LEU 88 2HD2 LEU 88 -3.697 1.438 -7.791 634 HD23 LEU 88 3HD2 LEU 88 -4.024 -0.162 -8.451 635 H SER 89 H SER 89 -8.460 -1.311 -6.576 636 HA SER 89 HA SER 89 -7.344 -3.910 -7.042 637 HB2 SER 89 2HB SER 89 -10.116 -3.166 -6.090 638 HB3 SER 89 1HB SER 89 -9.350 -4.749 -5.938 639 HG SER 89 HG SER 89 -8.647 -2.316 -4.712 640 H ARG 90 H ARG 90 -8.269 -2.147 -9.369 641 HA ARG 90 HA ARG 90 -9.679 -4.316 -10.826 642 HB2 ARG 90 2HB ARG 90 -9.847 -1.436 -11.644 643 HB3 ARG 90 1HB ARG 90 -10.878 -2.765 -12.109 644 HG2 ARG 90 2HG ARG 90 -10.834 -1.435 -9.426 645 HG3 ARG 90 1HG ARG 90 -11.973 -1.090 -10.709 646 HD2 ARG 90 2HD ARG 90 -12.687 -3.521 -10.531 647 HD3 ARG 90 1HD ARG 90 -11.720 -3.587 -9.046 648 HE ARG 90 HE ARG 90 -13.499 -1.359 -9.225 649 HH11 ARG 90 1HH1 ARG 90 -13.194 -4.657 -7.949 650 HH12 ARG 90 2HH1 ARG 90 -14.532 -4.490 -6.887 651 HH21 ARG 90 1HH2 ARG 90 -15.318 -1.179 -7.776 652 HH22 ARG 90 2HH2 ARG 90 -15.802 -2.426 -6.796 653 H SER 91 H SER 91 -6.839 -2.733 -10.320 654 HA SER 91 HA SER 91 -6.010 -2.681 -13.118 655 HB2 SER 91 2HB SER 91 -5.545 -0.507 -11.044 656 HB3 SER 91 1HB SER 91 -5.063 -0.446 -12.735 657 HG SER 91 HG SER 91 -7.441 0.094 -11.553 658 HA PRO 92 HA PRO 92 -2.193 -4.232 -11.117 659 HB2 PRO 92 2HB PRO 92 -0.211 -2.639 -12.166 660 HB3 PRO 92 1HB PRO 92 -0.921 -3.997 -13.063 661 HG2 PRO 92 2HG PRO 92 -1.520 -1.099 -13.285 662 HG3 PRO 92 1HG PRO 92 -1.369 -2.324 -14.562 663 HD2 PRO 92 2HD PRO 92 -3.760 -1.484 -13.733 664 HD3 PRO 92 1HD PRO 92 -3.476 -3.163 -14.214 665 H GLU 93 H GLU 93 -0.630 -3.586 -9.499 666 HA GLU 93 HA GLU 93 -1.590 -1.724 -7.699 667 HB2 GLU 93 2HB GLU 93 1.019 -3.181 -7.900 668 HB3 GLU 93 1HB GLU 93 0.634 -2.164 -6.532 669 HG2 GLU 93 2HG GLU 93 -1.423 -3.602 -6.199 670 HG3 GLU 93 1HG GLU 93 -0.764 -4.678 -7.429 Start of MODEL 7 1 H ASP 14 1H ASP 14 4.234 0.586 -4.403 2 HA ASP 14 HA ASP 14 3.241 -0.276 -6.979 3 HB2 ASP 14 2HB ASP 14 2.900 -1.452 -4.223 4 HB3 ASP 14 1HB ASP 14 1.909 -1.899 -5.623 5 H ASN 15 H ASN 15 0.642 -0.534 -6.161 6 HA ASN 15 HA ASN 15 -1.220 0.599 -6.072 7 HB2 ASN 15 2HB ASN 15 -0.481 1.377 -3.758 8 HB3 ASN 15 1HB ASN 15 0.199 2.810 -4.520 9 HD21 ASN 15 1HD2 ASN 15 -2.713 1.078 -3.777 10 HD22 ASN 15 2HD2 ASN 15 -3.806 2.387 -3.896 11 H ARG 16 H ARG 16 -1.147 0.701 -8.163 12 HA ARG 16 HA ARG 16 0.389 2.817 -9.434 13 HB2 ARG 16 2HB ARG 16 -1.203 0.731 -10.924 14 HB3 ARG 16 1HB ARG 16 0.012 1.802 -11.597 15 HG2 ARG 16 2HG ARG 16 1.348 0.004 -11.334 16 HG3 ARG 16 1HG ARG 16 1.459 0.582 -9.668 17 HD2 ARG 16 2HD ARG 16 -0.596 -0.807 -9.215 18 HD3 ARG 16 1HD ARG 16 -0.308 -1.588 -10.771 19 HE ARG 16 HE ARG 16 1.045 -1.968 -8.295 20 HH11 ARG 16 1HH1 ARG 16 1.384 -2.412 -11.773 21 HH12 ARG 16 2HH1 ARG 16 2.686 -3.522 -11.673 22 HH21 ARG 16 1HH2 ARG 16 2.872 -3.449 -8.105 23 HH22 ARG 16 2HH2 ARG 16 3.552 -4.139 -9.466 24 H HIS 17 H HIS 17 -2.896 1.730 -10.180 25 HA HIS 17 HA HIS 17 -3.653 3.851 -11.808 26 HB2 HIS 17 2HB HIS 17 -5.399 2.111 -10.071 27 HB3 HIS 17 1HB HIS 17 -5.999 3.141 -11.357 28 HD1 HIS 17 HD1 HIS 17 -6.407 0.005 -11.350 29 HD2 HIS 17 HD2 HIS 17 -3.373 2.041 -13.350 30 HE1 HIS 17 HE1 HIS 17 -5.627 -1.515 -13.190 31 H ALA 18 H ALA 18 -3.863 3.557 -8.382 32 HA ALA 18 HA ALA 18 -5.627 5.674 -7.977 33 HB1 ALA 18 1HB ALA 18 -3.810 4.441 -5.941 34 HB2 ALA 18 2HB ALA 18 -5.383 3.817 -6.468 35 HB3 ALA 18 3HB ALA 18 -5.289 5.385 -5.659 36 H ALA 19 H ALA 19 -2.321 5.782 -8.708 37 HA ALA 19 HA ALA 19 -1.543 8.162 -7.464 38 HB1 ALA 19 1HB ALA 19 -0.019 6.753 -8.808 39 HB2 ALA 19 2HB ALA 19 0.031 8.443 -9.310 40 HB3 ALA 19 3HB ALA 19 -0.863 7.264 -10.270 41 H ASP 20 H ASP 20 -3.687 7.671 -10.204 42 HA ASP 20 HA ASP 20 -3.890 10.432 -10.985 43 HB2 ASP 20 2HB ASP 20 -4.606 8.529 -12.464 44 HB3 ASP 20 1HB ASP 20 -5.910 8.211 -11.321 45 H TYR 21 H TYR 21 -5.523 8.315 -8.780 46 HA TYR 21 HA TYR 21 -7.699 9.886 -7.997 47 HB2 TYR 21 2HB TYR 21 -7.562 7.506 -7.433 48 HB3 TYR 21 1HB TYR 21 -6.168 7.808 -6.411 49 HD1 TYR 21 HD1 TYR 21 -9.787 8.192 -6.726 50 HD2 TYR 21 HD2 TYR 21 -6.450 8.701 -4.154 51 HE1 TYR 21 HE1 TYR 21 -11.297 8.517 -4.824 52 HE2 TYR 21 HE2 TYR 21 -7.944 9.020 -2.251 53 HH TYR 21 HH TYR 21 -11.210 8.286 -2.323 54 H GLN 22 H GLN 22 -4.352 10.187 -7.248 55 HA GLN 22 HA GLN 22 -4.732 11.574 -4.809 56 HB2 GLN 22 2HB GLN 22 -2.311 11.767 -6.612 57 HB3 GLN 22 1HB GLN 22 -2.382 12.163 -4.896 58 HG2 GLN 22 2HG GLN 22 -2.632 9.449 -6.165 59 HG3 GLN 22 1HG GLN 22 -1.347 10.023 -5.104 60 HE21 GLN 22 1HE2 GLN 22 -3.242 7.776 -4.981 61 HE22 GLN 22 2HE2 GLN 22 -4.055 7.839 -3.482 62 H GLN 23 H GLN 23 -4.947 12.486 -8.094 63 HA GLN 23 HA GLN 23 -4.926 15.308 -7.633 64 HB2 GLN 23 2HB GLN 23 -4.532 14.403 -9.883 65 HB3 GLN 23 1HB GLN 23 -6.126 13.671 -9.891 66 HG2 GLN 23 2HG GLN 23 -6.102 15.671 -11.259 67 HG3 GLN 23 1HG GLN 23 -7.143 15.903 -9.858 68 HE21 GLN 23 1HE2 GLN 23 -6.504 17.365 -8.231 69 HE22 GLN 23 2HE2 GLN 23 -5.281 18.519 -8.503 70 H LEU 24 H LEU 24 -7.333 12.753 -7.583 71 HA LEU 24 HA LEU 24 -9.566 14.475 -7.126 72 HB2 LEU 24 2HB LEU 24 -10.019 12.275 -8.031 73 HB3 LEU 24 1HB LEU 24 -9.267 11.408 -6.737 74 HG LEU 24 HG LEU 24 -11.844 13.004 -6.521 75 HD11 LEU 24 1HD1 LEU 24 -12.037 11.169 -8.112 76 HD12 LEU 24 2HD1 LEU 24 -12.937 10.826 -6.634 77 HD13 LEU 24 3HD1 LEU 24 -11.376 10.055 -6.915 78 HD21 LEU 24 1HD2 LEU 24 -10.723 12.610 -4.346 79 HD22 LEU 24 2HD2 LEU 24 -10.672 10.890 -4.696 80 HD23 LEU 24 3HD2 LEU 24 -12.221 11.699 -4.491 81 H ARG 25 H ARG 25 -7.210 12.895 -5.168 82 HA ARG 25 HA ARG 25 -8.299 13.298 -2.603 83 HB2 ARG 25 2HB ARG 25 -6.176 11.993 -3.333 84 HB3 ARG 25 1HB ARG 25 -5.358 13.544 -3.144 85 HG2 ARG 25 2HG ARG 25 -5.077 12.772 -1.011 86 HG3 ARG 25 1HG ARG 25 -6.717 13.418 -0.822 87 HD2 ARG 25 2HD ARG 25 -6.902 11.356 0.007 88 HD3 ARG 25 1HD ARG 25 -7.512 11.228 -1.641 89 HE ARG 25 HE ARG 25 -4.927 10.524 -1.977 90 HH11 ARG 25 1HH1 ARG 25 -7.501 9.292 0.008 91 HH12 ARG 25 2HH1 ARG 25 -6.666 7.880 0.495 92 HH21 ARG 25 1HH2 ARG 25 -3.755 8.532 -1.325 93 HH22 ARG 25 2HH2 ARG 25 -4.555 7.491 -0.207 94 H GLU 26 H GLU 26 -5.966 15.224 -4.516 95 HA GLU 26 HA GLU 26 -5.637 17.436 -2.947 96 HB2 GLU 26 2HB GLU 26 -4.397 16.867 -5.019 97 HB3 GLU 26 1HB GLU 26 -5.832 17.185 -5.962 98 HG2 GLU 26 2HG GLU 26 -4.412 19.262 -4.331 99 HG3 GLU 26 1HG GLU 26 -4.034 18.922 -6.020 100 H ARG 27 H ARG 27 -8.037 16.784 -5.457 101 HA ARG 27 HA ARG 27 -9.451 19.144 -5.226 102 HB2 ARG 27 2HB ARG 27 -10.537 16.445 -5.971 103 HB3 ARG 27 1HB ARG 27 -11.435 17.944 -6.108 104 HG2 ARG 27 2HG ARG 27 -9.080 16.998 -7.717 105 HG3 ARG 27 1HG ARG 27 -10.690 17.433 -8.278 106 HD2 ARG 27 2HD ARG 27 -8.421 19.180 -7.456 107 HD3 ARG 27 1HD ARG 27 -9.358 19.211 -8.925 108 HE ARG 27 HE ARG 27 -11.282 20.028 -7.423 109 HH11 ARG 27 1HH1 ARG 27 -7.864 20.723 -6.672 110 HH12 ARG 27 2HH1 ARG 27 -8.165 22.170 -5.921 111 HH21 ARG 27 1HH2 ARG 27 -11.736 21.947 -6.377 112 HH22 ARG 27 2HH2 ARG 27 -10.511 22.982 -5.751 113 H LEU 28 H LEU 28 -10.053 16.074 -3.532 114 HA LEU 28 HA LEU 28 -12.362 16.838 -2.242 115 HB2 LEU 28 2HB LEU 28 -10.292 14.800 -1.474 116 HB3 LEU 28 1HB LEU 28 -11.639 15.142 -0.411 117 HG LEU 28 HG LEU 28 -11.834 14.164 -3.254 118 HD11 LEU 28 1HD1 LEU 28 -11.050 12.476 -1.701 119 HD12 LEU 28 2HD1 LEU 28 -12.705 12.140 -2.211 120 HD13 LEU 28 3HD1 LEU 28 -12.395 12.832 -0.619 121 HD21 LEU 28 1HD2 LEU 28 -13.735 15.583 -2.755 122 HD22 LEU 28 2HD2 LEU 28 -13.963 14.764 -1.212 123 HD23 LEU 28 3HD2 LEU 28 -14.224 13.890 -2.719 124 H ILE 29 H ILE 29 -9.119 17.495 -1.144 125 HA ILE 29 HA ILE 29 -9.859 18.515 1.374 126 HB ILE 29 HB ILE 29 -7.435 19.189 -0.348 127 HG12 ILE 29 2HG1 ILE 29 -7.836 17.202 1.884 128 HG13 ILE 29 1HG1 ILE 29 -7.668 16.816 0.177 129 HG21 ILE 29 1HG2 ILE 29 -6.362 19.939 1.719 130 HG22 ILE 29 2HG2 ILE 29 -7.819 19.588 2.628 131 HG23 ILE 29 3HG2 ILE 29 -7.825 20.890 1.429 132 HD11 ILE 29 1HD1 ILE 29 -5.565 18.061 1.925 133 HD12 ILE 29 2HD1 ILE 29 -5.366 17.599 0.224 134 HD13 ILE 29 3HD1 ILE 29 -5.663 16.366 1.460 135 H GLN 30 H GLN 30 -9.309 20.091 -1.723 136 HA GLN 30 HA GLN 30 -10.013 22.677 -0.796 137 HB2 GLN 30 2HB GLN 30 -9.417 21.491 -3.448 138 HB3 GLN 30 1HB GLN 30 -10.220 23.051 -3.393 139 HG2 GLN 30 2HG GLN 30 -7.777 23.208 -3.609 140 HG3 GLN 30 1HG GLN 30 -8.397 24.026 -2.188 141 HE21 GLN 30 1HE2 GLN 30 -6.475 21.321 -3.359 142 HE22 GLN 30 2HE2 GLN 30 -5.821 20.940 -1.818 143 H GLU 31 H GLU 31 -11.765 20.212 -2.615 144 HA GLU 31 HA GLU 31 -14.019 21.653 -3.355 145 HB2 GLU 31 2HB GLU 31 -13.781 18.705 -2.795 146 HB3 GLU 31 1HB GLU 31 -15.199 19.491 -3.475 147 HG2 GLU 31 2HG GLU 31 -12.462 19.399 -4.728 148 HG3 GLU 31 1HG GLU 31 -13.852 18.428 -5.205 149 H LEU 32 H LEU 32 -13.757 19.535 -0.403 150 HA LEU 32 HA LEU 32 -16.215 20.874 0.424 151 HB2 LEU 32 2HB LEU 32 -14.838 18.438 1.487 152 HB3 LEU 32 1HB LEU 32 -16.273 19.145 2.201 153 HG LEU 32 HG LEU 32 -16.063 17.954 -0.557 154 HD11 LEU 32 1HD1 LEU 32 -17.310 16.958 1.993 155 HD12 LEU 32 2HD1 LEU 32 -15.865 16.313 1.212 156 HD13 LEU 32 3HD1 LEU 32 -17.431 16.181 0.417 157 HD21 LEU 32 1HD2 LEU 32 -18.524 18.143 -0.540 158 HD22 LEU 32 2HD2 LEU 32 -17.746 19.720 -0.477 159 HD23 LEU 32 3HD2 LEU 32 -18.436 19.018 0.989 160 H ASN 33 H ASN 33 -13.126 21.661 0.687 161 HA ASN 33 HA ASN 33 -11.895 22.982 2.091 162 HB2 ASN 33 2HB ASN 33 -14.636 23.512 3.290 163 HB3 ASN 33 1HB ASN 33 -13.189 24.261 3.936 164 HD21 ASN 33 1HD2 ASN 33 -13.629 23.745 0.469 165 HD22 ASN 33 2HD2 ASN 33 -13.847 25.415 0.103 166 H LEU 34 H LEU 34 -11.890 20.341 2.525 167 HA LEU 34 HA LEU 34 -12.314 19.695 5.316 168 HB2 LEU 34 2HB LEU 34 -10.907 18.059 3.188 169 HB3 LEU 34 1HB LEU 34 -11.533 17.491 4.719 170 HG LEU 34 HG LEU 34 -13.196 18.509 2.449 171 HD11 LEU 34 1HD1 LEU 34 -12.739 15.666 3.367 172 HD12 LEU 34 2HD1 LEU 34 -12.161 16.373 1.860 173 HD13 LEU 34 3HD1 LEU 34 -13.883 16.138 2.112 174 HD21 LEU 34 1HD2 LEU 34 -13.979 17.204 5.038 175 HD22 LEU 34 2HD2 LEU 34 -15.082 17.510 3.697 176 HD23 LEU 34 3HD2 LEU 34 -14.316 18.861 4.536 177 H THR 35 H THR 35 -10.746 19.891 6.833 178 HA THR 35 HA THR 35 -8.206 20.943 6.055 179 HB THR 35 HB THR 35 -7.696 20.782 8.533 180 HG1 THR 35 1HG THR 35 -10.414 20.089 8.927 181 HG21 THR 35 1HG2 THR 35 -8.710 22.811 7.608 182 HG22 THR 35 2HG2 THR 35 -9.330 22.487 9.227 183 HG23 THR 35 3HG2 THR 35 -10.314 22.110 7.815 184 HA PRO 36 HA PRO 36 -5.924 17.156 5.590 185 HB2 PRO 36 2HB PRO 36 -3.886 17.971 7.592 186 HB3 PRO 36 1HB PRO 36 -3.674 17.618 5.865 187 HG2 PRO 36 2HG PRO 36 -3.524 20.106 6.727 188 HG3 PRO 36 1HG PRO 36 -4.322 19.717 5.189 189 HD2 PRO 36 2HD PRO 36 -5.565 20.366 7.827 190 HD3 PRO 36 1HD PRO 36 -6.033 20.893 6.195 191 H GLN 37 H GLN 37 -6.909 18.036 8.747 192 HA GLN 37 HA GLN 37 -6.387 15.349 9.823 193 HB2 GLN 37 2HB GLN 37 -7.476 17.816 11.197 194 HB3 GLN 37 1HB GLN 37 -7.101 16.293 11.989 195 HG2 GLN 37 2HG GLN 37 -4.737 16.579 11.390 196 HG3 GLN 37 1HG GLN 37 -5.127 18.117 10.630 197 HE21 GLN 37 1HE2 GLN 37 -7.083 18.794 12.757 198 HE22 GLN 37 2HE2 GLN 37 -6.101 19.225 14.116 199 H GLN 38 H GLN 38 -8.623 16.843 8.009 200 HA GLN 38 HA GLN 38 -10.951 15.475 9.119 201 HB2 GLN 38 2HB GLN 38 -10.885 17.979 8.939 202 HB3 GLN 38 1HB GLN 38 -10.636 17.790 7.222 203 HG2 GLN 38 2HG GLN 38 -12.739 16.878 6.937 204 HG3 GLN 38 1HG GLN 38 -13.073 16.873 8.692 205 HE21 GLN 38 1HE2 GLN 38 -14.627 18.316 6.706 206 HE22 GLN 38 2HE2 GLN 38 -14.444 19.997 7.043 207 H LEU 39 H LEU 39 -8.491 15.445 6.840 208 HA LEU 39 HA LEU 39 -9.938 13.650 5.159 209 HB2 LEU 39 2HB LEU 39 -10.099 16.044 4.217 210 HB3 LEU 39 1HB LEU 39 -8.385 15.918 3.912 211 HG LEU 39 HG LEU 39 -10.056 15.521 2.021 212 HD11 LEU 39 1HD1 LEU 39 -7.807 13.571 2.565 213 HD12 LEU 39 2HD1 LEU 39 -7.677 15.104 1.705 214 HD13 LEU 39 3HD1 LEU 39 -8.582 13.765 0.994 215 HD21 LEU 39 1HD2 LEU 39 -11.483 13.940 3.189 216 HD22 LEU 39 2HD2 LEU 39 -10.139 12.790 3.290 217 HD23 LEU 39 3HD2 LEU 39 -10.800 13.231 1.728 218 H HIS 40 H HIS 40 -8.610 12.366 6.453 219 HA HIS 40 HA HIS 40 -6.007 11.982 5.229 220 HB2 HIS 40 2HB HIS 40 -5.752 12.460 7.652 221 HB3 HIS 40 1HB HIS 40 -6.937 11.221 8.039 222 HD1 HIS 40 HD1 HIS 40 -5.905 9.109 8.810 223 HD2 HIS 40 HD2 HIS 40 -3.386 11.179 6.241 224 HE1 HIS 40 HE1 HIS 40 -3.986 7.624 8.468 225 H GLU 41 H GLU 41 -5.503 9.530 5.270 226 HA GLU 41 HA GLU 41 -7.017 8.331 3.344 227 HB2 GLU 41 2HB GLU 41 -4.661 7.832 4.101 228 HB3 GLU 41 1HB GLU 41 -5.355 6.850 5.377 229 HG2 GLU 41 2HG GLU 41 -4.635 5.464 3.537 230 HG3 GLU 41 1HG GLU 41 -6.391 5.409 3.681 231 H GLU 42 H GLU 42 -7.612 8.099 6.865 232 HA GLU 42 HA GLU 42 -9.453 5.847 6.435 233 HB2 GLU 42 2HB GLU 42 -9.043 5.218 8.678 234 HB3 GLU 42 1HB GLU 42 -7.548 5.948 8.215 235 HG2 GLU 42 2HG GLU 42 -9.678 7.452 9.710 236 HG3 GLU 42 1HG GLU 42 -8.342 6.600 10.477 237 H SER 43 H SER 43 -9.602 9.112 6.431 238 HA SER 43 HA SER 43 -11.662 9.637 8.274 239 HB2 SER 43 2HB SER 43 -10.780 11.260 5.889 240 HB3 SER 43 1HB SER 43 -11.715 11.846 7.266 241 HG SER 43 HG SER 43 -9.368 10.597 8.039 242 H ASN 44 H ASN 44 -13.760 9.491 8.127 243 HA ASN 44 HA ASN 44 -15.005 8.244 5.874 244 HB2 ASN 44 2HB ASN 44 -15.746 7.772 8.207 245 HB3 ASN 44 1HB ASN 44 -16.306 9.430 8.350 246 HD21 ASN 44 1HD2 ASN 44 -17.787 6.946 8.623 247 HD22 ASN 44 2HD2 ASN 44 -19.066 7.000 7.472 248 H LEU 45 H LEU 45 -15.482 9.243 4.175 249 HA LEU 45 HA LEU 45 -15.525 12.059 3.971 250 HB2 LEU 45 2HB LEU 45 -15.883 9.855 2.016 251 HB3 LEU 45 1HB LEU 45 -16.214 11.512 1.549 252 HG LEU 45 HG LEU 45 -13.534 10.694 2.723 253 HD11 LEU 45 1HD1 LEU 45 -14.352 10.844 -0.141 254 HD12 LEU 45 2HD1 LEU 45 -13.908 9.390 0.769 255 HD13 LEU 45 3HD1 LEU 45 -12.709 10.654 0.482 256 HD21 LEU 45 1HD2 LEU 45 -14.121 13.102 2.803 257 HD22 LEU 45 2HD2 LEU 45 -14.455 13.066 1.082 258 HD23 LEU 45 3HD2 LEU 45 -12.827 12.783 1.655 259 H ILE 46 H ILE 46 -18.124 9.786 4.360 260 HA ILE 46 HA ILE 46 -20.104 11.614 3.356 261 HB ILE 46 HB ILE 46 -20.421 9.172 5.145 262 HG12 ILE 46 2HG1 ILE 46 -19.620 8.648 2.879 263 HG13 ILE 46 1HG1 ILE 46 -21.238 8.009 3.142 264 HG21 ILE 46 1HG2 ILE 46 -22.822 9.237 4.640 265 HG22 ILE 46 2HG2 ILE 46 -22.592 10.764 3.786 266 HG23 ILE 46 3HG2 ILE 46 -22.292 10.672 5.521 267 HD11 ILE 46 1HD1 ILE 46 -20.444 10.426 1.544 268 HD12 ILE 46 2HD1 ILE 46 -22.113 9.934 1.878 269 HD13 ILE 46 3HD1 ILE 46 -21.057 8.874 0.945 270 H GLN 47 H GLN 47 -18.578 10.948 6.376 271 HA GLN 47 HA GLN 47 -20.291 12.694 7.923 272 HB2 GLN 47 2HB GLN 47 -17.665 11.394 8.663 273 HB3 GLN 47 1HB GLN 47 -18.694 12.294 9.765 274 HG2 GLN 47 2HG GLN 47 -20.469 10.635 9.449 275 HG3 GLN 47 1HG GLN 47 -19.418 9.733 8.359 276 HE21 GLN 47 1HE2 GLN 47 -18.281 11.329 11.266 277 HE22 GLN 47 2HE2 GLN 47 -17.928 9.870 12.125 278 H ALA 48 H ALA 48 -17.672 13.028 5.872 279 HA ALA 48 HA ALA 48 -16.653 15.475 7.007 280 HB1 ALA 48 1HB ALA 48 -15.148 13.964 5.775 281 HB2 ALA 48 2HB ALA 48 -15.240 15.541 4.991 282 HB3 ALA 48 3HB ALA 48 -16.129 14.176 4.325 283 H GLY 49 H GLY 49 -19.298 14.530 5.284 284 HA2 GLY 49 2HA GLY 49 -21.065 15.853 4.771 285 HA3 GLY 49 1HA GLY 49 -20.023 17.279 4.732 286 H LEU 50 H LEU 50 -19.578 14.241 2.994 287 HA LEU 50 HA LEU 50 -19.556 15.703 0.461 288 HB2 LEU 50 2HB LEU 50 -17.973 13.687 1.405 289 HB3 LEU 50 1HB LEU 50 -19.232 12.763 0.605 290 HG LEU 50 HG LEU 50 -18.094 14.918 -1.016 291 HD11 LEU 50 1HD1 LEU 50 -16.521 12.444 -0.276 292 HD12 LEU 50 2HD1 LEU 50 -16.081 14.108 0.129 293 HD13 LEU 50 3HD1 LEU 50 -16.104 13.586 -1.551 294 HD21 LEU 50 1HD2 LEU 50 -18.646 12.005 -1.443 295 HD22 LEU 50 2HD2 LEU 50 -18.239 13.178 -2.698 296 HD23 LEU 50 3HD2 LEU 50 -19.759 13.317 -1.810 297 H ASP 51 H ASP 51 -21.457 16.210 -0.175 298 HA ASP 51 HA ASP 51 -23.778 14.685 0.293 299 HB2 ASP 51 2HB ASP 51 -24.922 16.234 -1.158 300 HB3 ASP 51 1HB ASP 51 -23.756 17.158 -0.219 301 H SER 52 H SER 52 -25.150 13.929 -1.614 302 HA SER 52 HA SER 52 -23.517 11.922 -2.766 303 HB2 SER 52 2HB SER 52 -26.481 12.259 -3.025 304 HB3 SER 52 1HB SER 52 -25.459 10.868 -3.478 305 HG SER 52 HG SER 52 -24.901 11.607 -0.980 306 H ILE 53 H ILE 53 -24.500 14.984 -3.990 307 HA ILE 53 HA ILE 53 -24.349 13.949 -6.684 308 HB ILE 53 HB ILE 53 -24.394 16.870 -5.837 309 HG12 ILE 53 2HG1 ILE 53 -26.501 15.766 -5.169 310 HG13 ILE 53 1HG1 ILE 53 -26.777 16.871 -6.508 311 HG21 ILE 53 1HG2 ILE 53 -23.404 16.363 -8.090 312 HG22 ILE 53 2HG2 ILE 53 -24.878 17.320 -8.213 313 HG23 ILE 53 3HG2 ILE 53 -24.907 15.589 -8.545 314 HD11 ILE 53 1HD1 ILE 53 -28.042 14.820 -6.793 315 HD12 ILE 53 2HD1 ILE 53 -26.562 13.868 -6.692 316 HD13 ILE 53 3HD1 ILE 53 -26.816 14.961 -8.054 317 H ARG 54 H ARG 54 -22.500 15.735 -4.285 318 HA ARG 54 HA ARG 54 -20.152 16.283 -5.680 319 HB2 ARG 54 2HB ARG 54 -21.036 16.285 -3.043 320 HB3 ARG 54 1HB ARG 54 -19.776 15.073 -3.042 321 HG2 ARG 54 2HG ARG 54 -18.866 17.167 -2.362 322 HG3 ARG 54 1HG ARG 54 -18.217 16.755 -3.951 323 HD2 ARG 54 2HD ARG 54 -19.667 18.302 -5.040 324 HD3 ARG 54 1HD ARG 54 -20.610 18.546 -3.569 325 HE ARG 54 HE ARG 54 -18.968 19.870 -2.710 326 HH11 ARG 54 1HH1 ARG 54 -17.907 18.650 -5.905 327 HH12 ARG 54 2HH1 ARG 54 -16.665 19.851 -6.003 328 HH21 ARG 54 1HH2 ARG 54 -17.180 21.526 -3.062 329 HH22 ARG 54 2HH2 ARG 54 -16.314 21.347 -4.535 330 H LEU 55 H LEU 55 -21.264 13.469 -3.982 331 HA LEU 55 HA LEU 55 -19.188 11.658 -4.350 332 HB2 LEU 55 2HB LEU 55 -21.413 11.642 -2.839 333 HB3 LEU 55 1HB LEU 55 -22.072 10.951 -4.252 334 HG LEU 55 HG LEU 55 -21.084 8.884 -3.978 335 HD11 LEU 55 1HD1 LEU 55 -19.045 10.190 -2.172 336 HD12 LEU 55 2HD1 LEU 55 -18.733 9.698 -3.846 337 HD13 LEU 55 3HD1 LEU 55 -19.112 8.490 -2.616 338 HD21 LEU 55 1HD2 LEU 55 -22.592 9.409 -2.126 339 HD22 LEU 55 2HD2 LEU 55 -21.210 10.025 -1.206 340 HD23 LEU 55 3HD2 LEU 55 -21.291 8.321 -1.631 341 H MET 56 H MET 56 -22.153 12.206 -6.243 342 HA MET 56 HA MET 56 -21.566 10.144 -8.113 343 HB2 MET 56 2HB MET 56 -23.854 10.768 -7.539 344 HB3 MET 56 1HB MET 56 -23.613 12.352 -8.252 345 HG2 MET 56 2HG MET 56 -23.396 11.405 -10.444 346 HG3 MET 56 1HG MET 56 -23.416 9.771 -9.786 347 HE1 MET 56 HE1 MET 56 -27.064 9.385 -8.508 348 HE2 MET 56 HE2 MET 56 -25.722 10.005 -7.551 349 HE3 MET 56 HE3 MET 56 -25.457 8.659 -8.651 350 H ARG 57 H ARG 57 -20.837 13.523 -7.944 351 HA ARG 57 HA ARG 57 -20.356 13.917 -10.619 352 HB2 ARG 57 2HB ARG 57 -19.078 15.279 -8.246 353 HB3 ARG 57 1HB ARG 57 -18.717 15.753 -9.897 354 HG2 ARG 57 2HG ARG 57 -21.410 15.807 -8.573 355 HG3 ARG 57 1HG ARG 57 -20.394 17.211 -8.904 356 HD2 ARG 57 2HD ARG 57 -20.588 16.752 -11.324 357 HD3 ARG 57 1HD ARG 57 -21.621 15.369 -10.975 358 HE ARG 57 HE ARG 57 -22.604 17.738 -9.799 359 HH11 ARG 57 1HH1 ARG 57 -22.458 15.991 -12.869 360 HH12 ARG 57 2HH1 ARG 57 -23.868 16.662 -13.534 361 HH21 ARG 57 1HH2 ARG 57 -24.594 18.707 -10.690 362 HH22 ARG 57 2HH2 ARG 57 -25.124 18.272 -12.241 363 H TRP 58 H TRP 58 -18.456 12.603 -7.996 364 HA TRP 58 HA TRP 58 -15.974 12.405 -9.268 365 HB2 TRP 58 2HB TRP 58 -17.137 10.916 -6.935 366 HB3 TRP 58 1HB TRP 58 -15.507 10.628 -7.526 367 HD1 TRP 58 HD1 TRP 58 -16.981 12.298 -4.806 368 HE1 TRP 58 HE1 TRP 58 -15.600 14.309 -4.017 369 HE3 TRP 58 HE3 TRP 58 -14.109 12.998 -8.965 370 HZ2 TRP 58 HZ2 TRP 58 -13.525 15.982 -5.061 371 HZ3 TRP 58 HZ3 TRP 58 -12.496 14.818 -8.987 372 HH2 TRP 58 HH2 TRP 58 -12.227 16.276 -7.088 373 H LEU 59 H LEU 59 -18.782 10.414 -9.366 374 HA LEU 59 HA LEU 59 -17.646 8.012 -10.264 375 HB2 LEU 59 2HB LEU 59 -19.997 8.270 -9.499 376 HB3 LEU 59 1HB LEU 59 -20.348 9.157 -10.967 377 HG LEU 59 HG LEU 59 -19.876 7.160 -12.291 378 HD11 LEU 59 1HD1 LEU 59 -19.580 5.793 -9.614 379 HD12 LEU 59 2HD1 LEU 59 -18.312 6.017 -10.821 380 HD13 LEU 59 3HD1 LEU 59 -19.686 4.973 -11.170 381 HD21 LEU 59 1HD2 LEU 59 -22.156 7.655 -11.624 382 HD22 LEU 59 2HD2 LEU 59 -21.925 6.777 -10.111 383 HD23 LEU 59 3HD2 LEU 59 -21.891 5.912 -11.647 384 H HIS 60 H HIS 60 -18.273 10.985 -11.915 385 HA HIS 60 HA HIS 60 -17.838 9.876 -14.551 386 HB2 HIS 60 2HB HIS 60 -19.300 11.873 -14.184 387 HB3 HIS 60 1HB HIS 60 -17.888 12.775 -13.653 388 HD1 HIS 60 HD1 HIS 60 -16.597 13.992 -15.494 389 HD2 HIS 60 HD2 HIS 60 -19.174 11.082 -16.964 390 HE1 HIS 60 HE1 HIS 60 -16.584 14.236 -17.997 391 H TRP 61 H TRP 61 -16.068 11.664 -12.112 392 HA TRP 61 HA TRP 61 -13.740 12.295 -13.563 393 HB2 TRP 61 2HB TRP 61 -14.565 13.283 -11.363 394 HB3 TRP 61 1HB TRP 61 -13.971 11.819 -10.598 395 HD1 TRP 61 HD1 TRP 61 -12.879 15.217 -11.750 396 HE1 TRP 61 HE1 TRP 61 -10.372 15.567 -11.238 397 HE3 TRP 61 HE3 TRP 61 -11.611 10.413 -10.541 398 HZ2 TRP 61 HZ2 TRP 61 -8.181 14.017 -10.474 399 HZ3 TRP 61 HZ3 TRP 61 -9.284 9.940 -9.935 400 HH2 TRP 61 HH2 TRP 61 -7.611 11.705 -9.904 401 H PHE 62 H PHE 62 -14.570 9.538 -11.474 402 HA PHE 62 HA PHE 62 -12.089 8.211 -11.540 403 HB2 PHE 62 2HB PHE 62 -14.879 7.098 -11.305 404 HB3 PHE 62 1HB PHE 62 -13.445 6.094 -11.212 405 HD1 PHE 62 HD1 PHE 62 -11.702 6.883 -9.489 406 HD2 PHE 62 HD2 PHE 62 -15.794 7.902 -9.376 407 HE1 PHE 62 HE1 PHE 62 -11.540 7.255 -7.046 408 HE2 PHE 62 HE2 PHE 62 -15.656 8.296 -6.962 409 HZ PHE 62 HZ PHE 62 -13.524 7.965 -5.797 410 H ARG 63 H ARG 63 -14.878 7.874 -13.604 411 HA ARG 63 HA ARG 63 -13.686 5.800 -15.095 412 HB2 ARG 63 2HB ARG 63 -16.269 7.301 -15.564 413 HB3 ARG 63 1HB ARG 63 -15.712 5.936 -16.553 414 HG2 ARG 63 2HG ARG 63 -15.782 4.478 -14.655 415 HG3 ARG 63 1HG ARG 63 -16.198 5.822 -13.594 416 HD2 ARG 63 2HD ARG 63 -17.889 4.865 -15.908 417 HD3 ARG 63 1HD ARG 63 -18.150 4.417 -14.223 418 HE ARG 63 HE ARG 63 -18.100 7.109 -14.176 419 HH11 ARG 63 1HH1 ARG 63 -20.071 4.738 -15.916 420 HH12 ARG 63 2HH1 ARG 63 -21.439 5.732 -16.073 421 HH21 ARG 63 1HH2 ARG 63 -19.969 8.507 -14.372 422 HH22 ARG 63 2HH2 ARG 63 -21.377 7.976 -15.160 423 H LYS 64 H LYS 64 -13.316 9.095 -15.271 424 HA LYS 64 HA LYS 64 -12.722 9.912 -17.797 425 HB2 LYS 64 2HB LYS 64 -12.441 11.406 -16.000 426 HB3 LYS 64 1HB LYS 64 -11.355 10.319 -15.167 427 HG2 LYS 64 2HG LYS 64 -9.595 10.841 -16.810 428 HG3 LYS 64 1HG LYS 64 -10.703 11.942 -17.632 429 HD2 LYS 64 2HD LYS 64 -9.189 13.183 -16.140 430 HD3 LYS 64 1HD LYS 64 -10.858 13.322 -15.602 431 HE2 LYS 64 2HE LYS 64 -9.468 13.003 -13.661 432 HE3 LYS 64 1HE LYS 64 -10.386 11.529 -13.889 433 HZ1 LYS 64 1HZ LYS 64 -7.481 11.947 -14.495 434 HZ2 LYS 64 2HZ LYS 64 -8.310 10.614 -15.002 435 HZ3 LYS 64 3HZ LYS 64 -8.131 10.896 -13.380 436 H ASN 65 H ASN 65 -10.521 7.993 -15.738 437 HA ASN 65 HA ASN 65 -8.665 7.661 -18.011 438 HB2 ASN 65 2HB ASN 65 -8.390 6.995 -15.082 439 HB3 ASN 65 1HB ASN 65 -7.225 6.479 -16.285 440 HD21 ASN 65 1HD2 ASN 65 -5.669 7.631 -15.109 441 HD22 ASN 65 2HD2 ASN 65 -5.568 9.350 -15.183 442 H GLY 66 H GLY 66 -11.340 6.302 -17.389 443 HA2 GLY 66 2HA GLY 66 -12.162 4.246 -18.007 444 HA3 GLY 66 1HA GLY 66 -10.508 3.698 -18.257 445 H TYR 67 H TYR 67 -11.103 5.194 -15.217 446 HA TYR 67 HA TYR 67 -10.510 2.763 -13.924 447 HB2 TYR 67 2HB TYR 67 -11.420 5.356 -12.684 448 HB3 TYR 67 1HB TYR 67 -10.944 3.934 -11.757 449 HD1 TYR 67 HD1 TYR 67 -8.645 2.922 -13.128 450 HD2 TYR 67 HD2 TYR 67 -9.788 6.942 -12.411 451 HE1 TYR 67 HE1 TYR 67 -6.314 3.590 -13.283 452 HE2 TYR 67 HE2 TYR 67 -7.425 7.631 -12.585 453 HH TYR 67 HH TYR 67 -5.183 6.493 -12.271 454 H ARG 68 H ARG 68 -11.876 2.190 -11.943 455 HA ARG 68 HA ARG 68 -14.482 1.497 -13.185 456 HB2 ARG 68 2HB ARG 68 -12.543 -0.659 -12.298 457 HB3 ARG 68 1HB ARG 68 -14.154 -0.890 -12.896 458 HG2 ARG 68 2HG ARG 68 -11.937 0.279 -14.546 459 HG3 ARG 68 1HG ARG 68 -12.235 -1.451 -14.419 460 HD2 ARG 68 2HD ARG 68 -13.402 -0.919 -16.327 461 HD3 ARG 68 1HD ARG 68 -14.604 -0.815 -15.027 462 HE ARG 68 HE ARG 68 -13.828 1.696 -15.139 463 HH11 ARG 68 1HH1 ARG 68 -14.691 -0.447 -17.816 464 HH12 ARG 68 2HH1 ARG 68 -15.124 0.796 -18.890 465 HH21 ARG 68 1HH2 ARG 68 -14.375 3.401 -16.554 466 HH22 ARG 68 2HH2 ARG 68 -14.927 3.116 -18.146 467 H LEU 69 H LEU 69 -15.709 2.319 -11.490 468 HA LEU 69 HA LEU 69 -15.934 0.461 -9.400 469 HB2 LEU 69 2HB LEU 69 -15.730 2.015 -7.484 470 HB3 LEU 69 1HB LEU 69 -14.219 1.709 -8.294 471 HG LEU 69 HG LEU 69 -14.555 3.985 -9.425 472 HD11 LEU 69 1HD1 LEU 69 -15.935 5.596 -8.220 473 HD12 LEU 69 2HD1 LEU 69 -16.552 4.306 -7.189 474 HD13 LEU 69 3HD1 LEU 69 -16.915 4.304 -8.915 475 HD21 LEU 69 1HD2 LEU 69 -12.907 3.573 -7.711 476 HD22 LEU 69 2HD2 LEU 69 -14.122 3.797 -6.455 477 HD23 LEU 69 3HD2 LEU 69 -13.648 5.156 -7.476 478 H THR 70 H THR 70 -17.794 0.627 -8.216 479 HA THR 70 HA THR 70 -19.893 2.069 -9.606 480 HB THR 70 HB THR 70 -20.266 0.254 -7.276 481 HG1 THR 70 1HG THR 70 -18.892 -0.950 -8.553 482 HG21 THR 70 1HG2 THR 70 -21.802 0.657 -9.851 483 HG22 THR 70 2HG2 THR 70 -22.206 1.347 -8.279 484 HG23 THR 70 3HG2 THR 70 -22.294 -0.397 -8.524 485 H LEU 71 H LEU 71 -21.148 3.495 -8.365 486 HA LEU 71 HA LEU 71 -19.658 4.884 -6.374 487 HB2 LEU 71 2HB LEU 71 -21.386 5.809 -8.044 488 HB3 LEU 71 1HB LEU 71 -22.515 5.223 -6.830 489 HG LEU 71 HG LEU 71 -21.552 6.680 -5.147 490 HD11 LEU 71 1HD1 LEU 71 -19.989 7.618 -7.472 491 HD12 LEU 71 2HD1 LEU 71 -19.340 6.759 -6.073 492 HD13 LEU 71 3HD1 LEU 71 -19.963 8.412 -5.889 493 HD21 LEU 71 1HD2 LEU 71 -23.483 7.449 -6.443 494 HD22 LEU 71 2HD2 LEU 71 -22.396 8.100 -7.670 495 HD23 LEU 71 3HD2 LEU 71 -22.404 8.788 -6.046 496 H ARG 72 H ARG 72 -22.118 2.481 -6.337 497 HA ARG 72 HA ARG 72 -23.067 2.822 -3.712 498 HB2 ARG 72 2HB ARG 72 -24.313 1.416 -5.290 499 HB3 ARG 72 1HB ARG 72 -22.960 0.312 -5.406 500 HG2 ARG 72 2HG ARG 72 -24.801 -0.575 -4.040 501 HG3 ARG 72 1HG ARG 72 -23.284 -0.435 -3.145 502 HD2 ARG 72 2HD ARG 72 -24.029 1.711 -2.296 503 HD3 ARG 72 1HD ARG 72 -25.580 1.478 -3.105 504 HE ARG 72 HE ARG 72 -26.070 -0.293 -1.613 505 HH11 ARG 72 1HH1 ARG 72 -22.973 1.218 -0.773 506 HH12 ARG 72 2HH1 ARG 72 -23.097 0.991 0.896 507 HH21 ARG 72 1HH2 ARG 72 -26.234 -0.723 0.760 508 HH22 ARG 72 2HH2 ARG 72 -24.988 -0.188 1.786 509 H GLU 73 H GLU 73 -20.123 1.721 -4.904 510 HA GLU 73 HA GLU 73 -19.385 0.060 -2.646 511 HB2 GLU 73 2HB GLU 73 -17.696 1.247 -4.862 512 HB3 GLU 73 1HB GLU 73 -17.104 0.114 -3.656 513 HG2 GLU 73 2HG GLU 73 -18.601 -1.588 -4.468 514 HG3 GLU 73 1HG GLU 73 -19.307 -0.424 -5.596 515 H LEU 74 H LEU 74 -19.090 3.341 -3.645 516 HA LEU 74 HA LEU 74 -17.242 4.105 -1.587 517 HB2 LEU 74 2HB LEU 74 -19.090 5.949 -3.107 518 HB3 LEU 74 1HB LEU 74 -17.620 6.389 -2.268 519 HG LEU 74 HG LEU 74 -17.907 4.930 -4.880 520 HD11 LEU 74 1HD1 LEU 74 -16.584 6.719 -5.761 521 HD12 LEU 74 2HD1 LEU 74 -16.354 7.381 -4.149 522 HD13 LEU 74 3HD1 LEU 74 -17.953 7.405 -4.874 523 HD21 LEU 74 1HD2 LEU 74 -15.386 5.260 -3.259 524 HD22 LEU 74 2HD2 LEU 74 -15.474 4.673 -4.919 525 HD23 LEU 74 3HD2 LEU 74 -16.207 3.739 -3.614 526 H TYR 75 H TYR 75 -20.620 3.721 -1.849 527 HA TYR 75 HA TYR 75 -21.230 5.032 0.684 528 HB2 TYR 75 2HB TYR 75 -22.920 3.324 -1.147 529 HB3 TYR 75 1HB TYR 75 -23.467 3.947 0.401 530 HD1 TYR 75 HD1 TYR 75 -24.171 6.214 0.626 531 HD2 TYR 75 HD2 TYR 75 -22.643 4.786 -3.072 532 HE1 TYR 75 HE1 TYR 75 -25.152 8.150 -0.517 533 HE2 TYR 75 HE2 TYR 75 -23.610 6.724 -4.225 534 HH TYR 75 HH TYR 75 -24.989 9.367 -2.470 535 H ALA 76 H ALA 76 -19.759 2.181 -0.133 536 HA ALA 76 HA ALA 76 -21.068 0.582 1.931 537 HB1 ALA 76 1HB ALA 76 -19.627 -1.260 1.155 538 HB2 ALA 76 2HB ALA 76 -18.814 -0.154 0.046 539 HB3 ALA 76 3HB ALA 76 -20.518 -0.544 -0.190 540 H ALA 77 H ALA 77 -17.847 1.709 1.057 541 HA ALA 77 HA ALA 77 -17.303 1.966 3.912 542 HB1 ALA 77 1HB ALA 77 -14.938 1.412 3.462 543 HB2 ALA 77 2HB ALA 77 -15.337 1.101 1.773 544 HB3 ALA 77 3HB ALA 77 -16.000 0.068 3.039 545 HA PRO 78 HA PRO 78 -16.895 5.889 1.731 546 HB2 PRO 78 2HB PRO 78 -18.049 7.307 3.897 547 HB3 PRO 78 1HB PRO 78 -18.826 6.852 2.366 548 HG2 PRO 78 2HG PRO 78 -19.510 5.858 4.867 549 HG3 PRO 78 1HG PRO 78 -19.975 5.175 3.299 550 HD2 PRO 78 2HD PRO 78 -17.840 4.300 5.163 551 HD3 PRO 78 1HD PRO 78 -18.836 3.353 4.035 552 H THR 79 H THR 79 -14.672 5.652 2.041 553 HA THR 79 HA THR 79 -13.519 7.588 3.845 554 HB THR 79 HB THR 79 -11.656 5.858 4.274 555 HG1 THR 79 1HG THR 79 -13.760 4.183 3.416 556 HG21 THR 79 1HG2 THR 79 -12.744 4.930 6.273 557 HG22 THR 79 2HG2 THR 79 -14.323 5.414 5.618 558 HG23 THR 79 3HG2 THR 79 -13.131 6.640 6.048 559 H LEU 80 H LEU 80 -11.461 8.220 2.940 560 HA LEU 80 HA LEU 80 -11.280 8.437 0.236 561 HB2 LEU 80 2HB LEU 80 -9.209 8.296 2.307 562 HB3 LEU 80 1HB LEU 80 -8.842 8.484 0.599 563 HG LEU 80 HG LEU 80 -10.568 10.433 2.139 564 HD11 LEU 80 1HD1 LEU 80 -8.517 11.822 2.039 565 HD12 LEU 80 2HD1 LEU 80 -7.645 10.372 1.509 566 HD13 LEU 80 3HD1 LEU 80 -8.396 10.420 3.108 567 HD21 LEU 80 1HD2 LEU 80 -10.824 10.423 -0.345 568 HD22 LEU 80 2HD2 LEU 80 -9.086 10.647 -0.480 569 HD23 LEU 80 3HD2 LEU 80 -10.062 11.895 0.251 570 H ALA 81 H ALA 81 -9.590 6.208 2.332 571 HA ALA 81 HA ALA 81 -7.954 4.750 0.779 572 HB1 ALA 81 1HB ALA 81 -8.085 2.965 2.386 573 HB2 ALA 81 2HB ALA 81 -9.642 3.558 2.959 574 HB3 ALA 81 3HB ALA 81 -8.190 4.518 3.220 575 H ALA 82 H ALA 82 -11.396 4.088 1.165 576 HA ALA 82 HA ALA 82 -11.344 1.682 -0.300 577 HB1 ALA 82 1HB ALA 82 -13.670 3.540 0.147 578 HB2 ALA 82 2HB ALA 82 -13.181 2.216 1.208 579 HB3 ALA 82 3HB ALA 82 -13.765 1.877 -0.425 580 H TRP 83 H TRP 83 -12.105 5.011 -1.260 581 HA TRP 83 HA TRP 83 -12.902 4.333 -3.925 582 HB2 TRP 83 2HB TRP 83 -11.716 7.084 -3.343 583 HB3 TRP 83 1HB TRP 83 -12.972 6.588 -4.448 584 HD1 TRP 83 HD1 TRP 83 -13.793 5.434 -1.016 585 HE1 TRP 83 HE1 TRP 83 -15.661 6.924 -0.076 586 HE3 TRP 83 HE3 TRP 83 -13.573 9.234 -4.401 587 HZ2 TRP 83 HZ2 TRP 83 -16.851 9.401 -0.666 588 HZ3 TRP 83 HZ3 TRP 83 -15.079 11.128 -4.130 589 HH2 TRP 83 HH2 TRP 83 -16.681 11.221 -2.305 590 H ASN 84 H ASN 84 -9.930 5.183 -2.350 591 HA ASN 84 HA ASN 84 -8.224 5.540 -4.576 592 HB2 ASN 84 2HB ASN 84 -7.751 6.221 -2.178 593 HB3 ASN 84 1HB ASN 84 -7.479 4.526 -1.810 594 HD21 ASN 84 1HD2 ASN 84 -5.489 3.541 -2.521 595 HD22 ASN 84 2HD2 ASN 84 -4.221 4.517 -3.133 596 H GLN 85 H GLN 85 -8.744 2.746 -2.423 597 HA GLN 85 HA GLN 85 -7.076 1.023 -3.968 598 HB2 GLN 85 2HB GLN 85 -9.048 0.345 -1.789 599 HB3 GLN 85 1HB GLN 85 -7.953 -0.805 -2.543 600 HG2 GLN 85 2HG GLN 85 -7.248 1.572 -0.851 601 HG3 GLN 85 1HG GLN 85 -6.974 -0.133 -0.491 602 HE21 GLN 85 1HE2 GLN 85 -5.278 -1.250 -1.620 603 HE22 GLN 85 2HE2 GLN 85 -4.059 -0.408 -2.431 604 H LEU 86 H LEU 86 -10.453 1.779 -4.205 605 HA LEU 86 HA LEU 86 -11.199 -0.539 -5.576 606 HB2 LEU 86 2HB LEU 86 -12.350 2.217 -5.710 607 HB3 LEU 86 1HB LEU 86 -13.051 0.840 -6.541 608 HG LEU 86 HG LEU 86 -12.688 1.091 -3.558 609 HD11 LEU 86 1HD1 LEU 86 -15.132 1.190 -5.260 610 HD12 LEU 86 2HD1 LEU 86 -14.370 2.557 -4.425 611 HD13 LEU 86 3HD1 LEU 86 -15.090 1.240 -3.491 612 HD21 LEU 86 1HD2 LEU 86 -13.992 -1.078 -5.203 613 HD22 LEU 86 2HD2 LEU 86 -14.083 -0.932 -3.453 614 HD23 LEU 86 3HD2 LEU 86 -12.530 -1.241 -4.220 615 H MET 87 H MET 87 -9.274 2.053 -6.644 616 HA MET 87 HA MET 87 -9.623 1.542 -9.447 617 HB2 MET 87 2HB MET 87 -7.385 2.959 -7.984 618 HB3 MET 87 1HB MET 87 -7.503 2.836 -9.733 619 HG2 MET 87 2HG MET 87 -9.632 4.033 -9.655 620 HG3 MET 87 1HG MET 87 -9.448 4.207 -7.910 621 HE1 MET 87 HE1 MET 87 -9.873 6.379 -10.115 622 HE2 MET 87 HE2 MET 87 -8.850 7.761 -9.578 623 HE3 MET 87 HE3 MET 87 -9.832 6.883 -8.418 624 H LEU 88 H LEU 88 -7.467 0.409 -6.927 625 HA LEU 88 HA LEU 88 -6.135 -1.293 -8.854 626 HB2 LEU 88 2HB LEU 88 -5.525 -0.687 -5.995 627 HB3 LEU 88 1HB LEU 88 -4.742 -2.026 -6.827 628 HG LEU 88 HG LEU 88 -3.174 -0.311 -7.041 629 HD11 LEU 88 1HD1 LEU 88 -3.662 -1.334 -9.159 630 HD12 LEU 88 2HD1 LEU 88 -3.031 0.295 -9.264 631 HD13 LEU 88 3HD1 LEU 88 -4.748 0.010 -9.552 632 HD21 LEU 88 1HD2 LEU 88 -5.420 1.600 -7.650 633 HD22 LEU 88 2HD2 LEU 88 -3.698 1.989 -7.553 634 HD23 LEU 88 3HD2 LEU 88 -4.568 1.473 -6.110 635 H SER 89 H SER 89 -8.733 -1.602 -6.777 636 HA SER 89 HA SER 89 -8.443 -4.394 -6.176 637 HB2 SER 89 2HB SER 89 -10.926 -2.660 -6.167 638 HB3 SER 89 1HB SER 89 -10.791 -4.257 -5.434 639 HG SER 89 HG SER 89 -9.076 -2.110 -4.736 640 H ARG 90 H ARG 90 -8.296 -3.510 -9.020 641 HA ARG 90 HA ARG 90 -10.206 -5.425 -10.200 642 HB2 ARG 90 2HB ARG 90 -9.258 -2.961 -11.657 643 HB3 ARG 90 1HB ARG 90 -10.627 -3.985 -12.028 644 HG2 ARG 90 2HG ARG 90 -10.438 -2.025 -9.743 645 HG3 ARG 90 1HG ARG 90 -11.310 -1.779 -11.248 646 HD2 ARG 90 2HD ARG 90 -12.809 -3.640 -10.662 647 HD3 ARG 90 1HD ARG 90 -11.910 -3.880 -9.160 648 HE ARG 90 HE ARG 90 -12.976 -1.222 -9.589 649 HH11 ARG 90 1HH1 ARG 90 -13.451 -4.327 -7.891 650 HH12 ARG 90 2HH1 ARG 90 -14.669 -3.654 -6.875 651 HH21 ARG 90 1HH2 ARG 90 -14.605 -0.432 -8.151 652 HH22 ARG 90 2HH2 ARG 90 -15.338 -1.483 -7.035 653 H SER 91 H SER 91 -7.085 -4.803 -9.389 654 HA SER 91 HA SER 91 -5.815 -6.201 -11.527 655 HB2 SER 91 2HB SER 91 -5.271 -3.229 -11.038 656 HB3 SER 91 1HB SER 91 -4.341 -4.262 -12.119 657 HG SER 91 HG SER 91 -6.894 -4.492 -12.760 658 HA PRO 92 HA PRO 92 -2.879 -6.398 -7.945 659 HB2 PRO 92 2HB PRO 92 -0.527 -5.284 -9.318 660 HB3 PRO 92 1HB PRO 92 -0.775 -6.939 -8.727 661 HG2 PRO 92 2HG PRO 92 -0.679 -6.411 -11.332 662 HG3 PRO 92 1HG PRO 92 -1.749 -7.660 -10.663 663 HD2 PRO 92 2HD PRO 92 -2.425 -4.877 -11.514 664 HD3 PRO 92 1HD PRO 92 -3.300 -6.394 -11.829 665 H GLU 93 H GLU 93 -1.709 -5.078 -6.390 666 HA GLU 93 HA GLU 93 -2.734 -2.558 -5.865 667 HB2 GLU 93 2HB GLU 93 -1.772 -4.136 -4.213 668 HB3 GLU 93 1HB GLU 93 -0.180 -3.856 -4.883 669 HG2 GLU 93 2HG GLU 93 -0.338 -2.626 -2.857 670 HG3 GLU 93 1HG GLU 93 -0.391 -1.465 -4.179 Start of MODEL 8 1 H ASP 14 1H ASP 14 1.836 6.055 -2.154 2 HA ASP 14 HA ASP 14 0.630 4.057 -1.648 3 HB2 ASP 14 2HB ASP 14 -1.544 5.041 -0.870 4 HB3 ASP 14 1HB ASP 14 -0.171 6.075 -0.484 5 H ASN 15 H ASN 15 -0.887 5.911 -4.269 6 HA ASN 15 HA ASN 15 -2.227 3.540 -5.177 7 HB2 ASN 15 2HB ASN 15 -3.136 5.338 -6.861 8 HB3 ASN 15 1HB ASN 15 -3.708 5.359 -5.196 9 HD21 ASN 15 1HD2 ASN 15 -4.218 7.433 -5.151 10 HD22 ASN 15 2HD2 ASN 15 -3.070 8.738 -5.266 11 H ARG 16 H ARG 16 -2.072 3.184 -7.746 12 HA ARG 16 HA ARG 16 0.846 3.194 -8.195 13 HB2 ARG 16 2HB ARG 16 -1.254 1.336 -9.209 14 HB3 ARG 16 1HB ARG 16 0.486 1.193 -9.470 15 HG2 ARG 16 2HG ARG 16 0.845 1.010 -7.084 16 HG3 ARG 16 1HG ARG 16 -0.885 1.198 -6.801 17 HD2 ARG 16 2HD ARG 16 0.402 -0.853 -8.428 18 HD3 ARG 16 1HD ARG 16 -0.086 -1.087 -6.717 19 HE ARG 16 HE ARG 16 -2.288 -0.233 -8.309 20 HH11 ARG 16 1HH1 ARG 16 -0.376 -3.126 -7.987 21 HH12 ARG 16 2HH1 ARG 16 -1.657 -4.227 -8.243 22 HH21 ARG 16 1HH2 ARG 16 -3.979 -1.579 -8.805 23 HH22 ARG 16 2HH2 ARG 16 -3.911 -3.269 -8.759 24 H HIS 17 H HIS 17 -1.722 2.441 -10.595 25 HA HIS 17 HA HIS 17 -0.848 4.511 -12.448 26 HB2 HIS 17 2HB HIS 17 -1.747 2.201 -13.175 27 HB3 HIS 17 1HB HIS 17 -3.317 2.718 -12.579 28 HD1 HIS 17 HD1 HIS 17 -4.377 4.904 -13.959 29 HD2 HIS 17 HD2 HIS 17 -1.188 2.885 -15.721 30 HE1 HIS 17 HE1 HIS 17 -4.407 5.521 -16.384 31 H ALA 18 H ALA 18 -3.207 3.565 -10.265 32 HA ALA 18 HA ALA 18 -5.206 5.372 -10.124 33 HB1 ALA 18 1HB ALA 18 -5.297 4.823 -7.743 34 HB2 ALA 18 2HB ALA 18 -3.754 3.944 -7.940 35 HB3 ALA 18 3HB ALA 18 -5.175 3.450 -8.824 36 H ALA 19 H ALA 19 -1.946 6.219 -9.639 37 HA ALA 19 HA ALA 19 -1.962 8.356 -7.918 38 HB1 ALA 19 1HB ALA 19 -0.605 8.287 -10.613 39 HB2 ALA 19 2HB ALA 19 0.021 7.551 -9.138 40 HB3 ALA 19 3HB ALA 19 -0.156 9.303 -9.243 41 H ASP 20 H ASP 20 -3.601 8.210 -10.977 42 HA ASP 20 HA ASP 20 -4.275 10.884 -11.480 43 HB2 ASP 20 2HB ASP 20 -4.992 9.090 -12.985 44 HB3 ASP 20 1HB ASP 20 -5.971 8.389 -11.704 45 H TYR 21 H TYR 21 -5.640 8.584 -9.146 46 HA TYR 21 HA TYR 21 -7.794 10.096 -8.153 47 HB2 TYR 21 2HB TYR 21 -7.503 7.649 -7.696 48 HB3 TYR 21 1HB TYR 21 -6.151 8.033 -6.640 49 HD1 TYR 21 HD1 TYR 21 -6.553 8.829 -4.339 50 HD2 TYR 21 HD2 TYR 21 -9.798 8.296 -7.046 51 HE1 TYR 21 HE1 TYR 21 -8.182 9.115 -2.479 52 HE2 TYR 21 HE2 TYR 21 -11.378 8.583 -5.193 53 HH TYR 21 HH TYR 21 -11.497 8.484 -2.780 54 H GLN 22 H GLN 22 -4.427 10.342 -7.678 55 HA GLN 22 HA GLN 22 -4.418 11.507 -5.108 56 HB2 GLN 22 2HB GLN 22 -2.422 10.753 -6.690 57 HB3 GLN 22 1HB GLN 22 -2.420 12.463 -7.109 58 HG2 GLN 22 2HG GLN 22 -0.842 12.081 -5.343 59 HG3 GLN 22 1HG GLN 22 -2.217 13.003 -4.713 60 HE21 GLN 22 1HE2 GLN 22 -0.648 9.903 -4.758 61 HE22 GLN 22 2HE2 GLN 22 -1.422 9.230 -3.390 62 H GLN 23 H GLN 23 -5.149 12.850 -8.254 63 HA GLN 23 HA GLN 23 -5.315 15.483 -7.136 64 HB2 GLN 23 2HB GLN 23 -5.589 14.437 -9.892 65 HB3 GLN 23 1HB GLN 23 -6.450 15.930 -9.513 66 HG2 GLN 23 2HG GLN 23 -3.510 15.457 -9.058 67 HG3 GLN 23 1HG GLN 23 -4.212 16.395 -10.385 68 HE21 GLN 23 1HE2 GLN 23 -2.451 17.195 -8.075 69 HE22 GLN 23 2HE2 GLN 23 -3.305 18.442 -7.256 70 H LEU 24 H LEU 24 -7.486 12.891 -7.601 71 HA LEU 24 HA LEU 24 -9.814 14.489 -7.092 72 HB2 LEU 24 2HB LEU 24 -10.119 12.381 -8.227 73 HB3 LEU 24 1HB LEU 24 -9.420 11.391 -6.982 74 HG LEU 24 HG LEU 24 -12.079 12.857 -6.971 75 HD11 LEU 24 1HD1 LEU 24 -11.402 9.938 -7.191 76 HD12 LEU 24 2HD1 LEU 24 -12.023 10.978 -8.473 77 HD13 LEU 24 3HD1 LEU 24 -13.027 10.610 -7.072 78 HD21 LEU 24 1HD2 LEU 24 -11.242 12.670 -4.673 79 HD22 LEU 24 2HD2 LEU 24 -10.990 10.940 -4.906 80 HD23 LEU 24 3HD2 LEU 24 -12.624 11.608 -4.944 81 H ARG 25 H ARG 25 -7.447 12.781 -5.281 82 HA ARG 25 HA ARG 25 -8.385 12.762 -2.652 83 HB2 ARG 25 2HB ARG 25 -6.189 11.895 -3.774 84 HB3 ARG 25 1HB ARG 25 -5.562 13.469 -3.356 85 HG2 ARG 25 2HG ARG 25 -4.862 12.068 -1.607 86 HG3 ARG 25 1HG ARG 25 -6.296 12.906 -0.971 87 HD2 ARG 25 2HD ARG 25 -7.645 11.144 -1.213 88 HD3 ARG 25 1HD ARG 25 -6.630 10.356 -2.409 89 HE ARG 25 HE ARG 25 -6.321 10.150 0.505 90 HH11 ARG 25 1HH1 ARG 25 -4.535 9.705 -2.559 91 HH12 ARG 25 2HH1 ARG 25 -3.684 8.345 -1.949 92 HH21 ARG 25 1HH2 ARG 25 -5.105 8.359 1.228 93 HH22 ARG 25 2HH2 ARG 25 -3.974 7.598 0.198 94 H GLU 26 H GLU 26 -6.200 15.145 -4.202 95 HA GLU 26 HA GLU 26 -6.102 17.059 -2.208 96 HB2 GLU 26 2HB GLU 26 -4.648 16.855 -4.250 97 HB3 GLU 26 1HB GLU 26 -5.978 17.510 -5.190 98 HG2 GLU 26 2HG GLU 26 -5.897 19.493 -3.612 99 HG3 GLU 26 1HG GLU 26 -4.338 18.851 -3.087 100 H ARG 27 H ARG 27 -8.202 16.720 -5.020 101 HA ARG 27 HA ARG 27 -9.573 19.135 -4.814 102 HB2 ARG 27 2HB ARG 27 -9.443 17.136 -6.611 103 HB3 ARG 27 1HB ARG 27 -10.994 16.798 -5.862 104 HG2 ARG 27 2HG ARG 27 -11.448 18.138 -7.771 105 HG3 ARG 27 1HG ARG 27 -11.617 19.195 -6.362 106 HD2 ARG 27 2HD ARG 27 -9.118 18.978 -8.029 107 HD3 ARG 27 1HD ARG 27 -10.371 20.166 -8.337 108 HE ARG 27 HE ARG 27 -9.883 21.035 -6.078 109 HH11 ARG 27 1HH1 ARG 27 -7.270 19.053 -7.658 110 HH12 ARG 27 2HH1 ARG 27 -6.083 19.876 -6.778 111 HH21 ARG 27 1HH2 ARG 27 -7.952 22.076 -4.929 112 HH22 ARG 27 2HH2 ARG 27 -6.421 21.412 -5.368 113 H LEU 28 H LEU 28 -10.375 15.851 -3.639 114 HA LEU 28 HA LEU 28 -12.882 16.354 -2.597 115 HB2 LEU 28 2HB LEU 28 -11.181 14.120 -2.737 116 HB3 LEU 28 1HB LEU 28 -11.241 14.425 -1.047 117 HG LEU 28 HG LEU 28 -13.740 14.177 -2.690 118 HD11 LEU 28 1HD1 LEU 28 -12.470 12.091 -2.784 119 HD12 LEU 28 2HD1 LEU 28 -13.943 11.921 -1.836 120 HD13 LEU 28 3HD1 LEU 28 -12.389 12.067 -1.023 121 HD21 LEU 28 1HD2 LEU 28 -14.026 15.368 -0.592 122 HD22 LEU 28 2HD2 LEU 28 -13.257 14.044 0.284 123 HD23 LEU 28 3HD2 LEU 28 -14.807 13.789 -0.520 124 H ILE 29 H ILE 29 -9.725 16.581 -1.119 125 HA ILE 29 HA ILE 29 -10.615 17.330 1.418 126 HB ILE 29 HB ILE 29 -7.921 17.705 0.063 127 HG12 ILE 29 2HG1 ILE 29 -8.985 15.821 2.127 128 HG13 ILE 29 1HG1 ILE 29 -8.679 15.416 0.442 129 HG21 ILE 29 1HG2 ILE 29 -6.982 18.162 2.286 130 HG22 ILE 29 2HG2 ILE 29 -8.597 18.138 2.982 131 HG23 ILE 29 3HG2 ILE 29 -8.152 19.407 1.840 132 HD11 ILE 29 1HD1 ILE 29 -6.284 15.666 0.850 133 HD12 ILE 29 2HD1 ILE 29 -7.065 14.529 1.982 134 HD13 ILE 29 3HD1 ILE 29 -6.638 16.149 2.521 135 H GLN 30 H GLN 30 -9.659 19.280 -1.354 136 HA GLN 30 HA GLN 30 -9.971 21.720 0.042 137 HB2 GLN 30 2HB GLN 30 -9.774 21.131 -2.883 138 HB3 GLN 30 1HB GLN 30 -9.915 22.765 -2.237 139 HG2 GLN 30 2HG GLN 30 -7.724 20.796 -1.596 140 HG3 GLN 30 1HG GLN 30 -7.617 22.193 -2.671 141 HE21 GLN 30 1HE2 GLN 30 -7.845 21.167 0.658 142 HE22 GLN 30 2HE2 GLN 30 -7.410 22.693 1.339 143 H GLU 31 H GLU 31 -12.195 19.812 -1.896 144 HA GLU 31 HA GLU 31 -14.054 21.851 -2.295 145 HB2 GLU 31 2HB GLU 31 -14.271 18.923 -2.559 146 HB3 GLU 31 1HB GLU 31 -15.680 19.950 -2.774 147 HG2 GLU 31 2HG GLU 31 -14.246 21.268 -4.418 148 HG3 GLU 31 1HG GLU 31 -13.149 19.885 -4.364 149 H LEU 32 H LEU 32 -14.076 19.471 0.390 150 HA LEU 32 HA LEU 32 -16.394 20.981 1.322 151 HB2 LEU 32 2HB LEU 32 -15.068 18.540 2.470 152 HB3 LEU 32 1HB LEU 32 -16.458 19.333 3.178 153 HG LEU 32 HG LEU 32 -16.319 17.891 0.542 154 HD11 LEU 32 1HD1 LEU 32 -16.261 16.434 2.472 155 HD12 LEU 32 2HD1 LEU 32 -17.831 16.330 1.683 156 HD13 LEU 32 3HD1 LEU 32 -17.651 17.262 3.164 157 HD21 LEU 32 1HD2 LEU 32 -17.885 19.773 0.397 158 HD22 LEU 32 2HD2 LEU 32 -18.657 19.253 1.894 159 HD23 LEU 32 3HD2 LEU 32 -18.755 18.240 0.456 160 H ASN 33 H ASN 33 -13.505 21.936 1.238 161 HA ASN 33 HA ASN 33 -12.104 23.267 2.435 162 HB2 ASN 33 2HB ASN 33 -14.283 24.510 2.842 163 HB3 ASN 33 1HB ASN 33 -14.461 23.614 4.340 164 HD21 ASN 33 1HD2 ASN 33 -11.387 24.906 3.138 165 HD22 ASN 33 2HD2 ASN 33 -11.223 26.070 4.408 166 H LEU 34 H LEU 34 -11.927 20.603 2.816 167 HA LEU 34 HA LEU 34 -11.686 19.989 5.636 168 HB2 LEU 34 2HB LEU 34 -11.034 18.313 3.202 169 HB3 LEU 34 1HB LEU 34 -11.197 17.750 4.852 170 HG LEU 34 HG LEU 34 -13.461 18.967 3.326 171 HD11 LEU 34 1HD1 LEU 34 -12.702 16.939 2.094 172 HD12 LEU 34 2HD1 LEU 34 -14.274 16.661 2.786 173 HD13 LEU 34 3HD1 LEU 34 -12.847 15.992 3.568 174 HD21 LEU 34 1HD2 LEU 34 -13.362 17.247 5.799 175 HD22 LEU 34 2HD2 LEU 34 -14.840 17.681 4.947 176 HD23 LEU 34 3HD2 LEU 34 -13.855 18.943 5.678 177 H THR 35 H THR 35 -9.604 19.025 6.311 178 HA THR 35 HA THR 35 -7.257 19.889 4.831 179 HB THR 35 HB THR 35 -6.255 20.375 7.146 180 HG1 THR 35 1HG THR 35 -8.635 21.026 8.263 181 HG21 THR 35 1HG2 THR 35 -6.869 22.228 5.648 182 HG22 THR 35 2HG2 THR 35 -7.200 22.649 7.328 183 HG23 THR 35 3HG2 THR 35 -8.522 22.179 6.260 184 HA PRO 36 HA PRO 36 -6.073 15.663 5.792 185 HB2 PRO 36 2HB PRO 36 -3.527 16.587 7.023 186 HB3 PRO 36 1HB PRO 36 -3.766 15.484 5.653 187 HG2 PRO 36 2HG PRO 36 -2.871 17.919 5.225 188 HG3 PRO 36 1HG PRO 36 -4.056 17.181 4.129 189 HD2 PRO 36 2HD PRO 36 -4.498 19.235 6.251 190 HD3 PRO 36 1HD PRO 36 -5.189 19.130 4.616 191 H GLN 37 H GLN 37 -6.004 18.044 8.282 192 HA GLN 37 HA GLN 37 -5.881 16.116 10.432 193 HB2 GLN 37 2HB GLN 37 -6.460 19.089 10.571 194 HB3 GLN 37 1HB GLN 37 -6.160 18.039 11.940 195 HG2 GLN 37 2HG GLN 37 -4.121 19.057 11.727 196 HG3 GLN 37 1HG GLN 37 -3.865 17.629 10.736 197 HE21 GLN 37 1HE2 GLN 37 -2.525 20.183 10.674 198 HE22 GLN 37 2HE2 GLN 37 -2.725 20.813 9.076 199 H GLN 38 H GLN 38 -8.289 17.872 8.600 200 HA GLN 38 HA GLN 38 -10.394 17.185 10.458 201 HB2 GLN 38 2HB GLN 38 -10.156 19.461 9.422 202 HB3 GLN 38 1HB GLN 38 -10.483 18.724 7.865 203 HG2 GLN 38 2HG GLN 38 -12.648 18.126 8.516 204 HG3 GLN 38 1HG GLN 38 -12.346 18.640 10.186 205 HE21 GLN 38 1HE2 GLN 38 -13.020 19.713 6.942 206 HE22 GLN 38 2HE2 GLN 38 -13.275 21.369 7.334 207 H LEU 39 H LEU 39 -8.935 16.094 7.554 208 HA LEU 39 HA LEU 39 -11.050 14.085 7.225 209 HB2 LEU 39 2HB LEU 39 -10.855 15.851 5.341 210 HB3 LEU 39 1HB LEU 39 -9.312 15.123 4.961 211 HG LEU 39 HG LEU 39 -12.103 14.095 4.520 212 HD11 LEU 39 1HD1 LEU 39 -9.704 14.173 2.728 213 HD12 LEU 39 2HD1 LEU 39 -11.006 15.354 2.752 214 HD13 LEU 39 3HD1 LEU 39 -11.330 13.705 2.242 215 HD21 LEU 39 1HD2 LEU 39 -11.261 11.876 3.889 216 HD22 LEU 39 2HD2 LEU 39 -10.988 12.216 5.604 217 HD23 LEU 39 3HD2 LEU 39 -9.653 12.340 4.458 218 H HIS 40 H HIS 40 -9.817 12.670 8.542 219 HA HIS 40 HA HIS 40 -7.376 11.832 7.229 220 HB2 HIS 40 2HB HIS 40 -7.382 12.023 9.788 221 HB3 HIS 40 1HB HIS 40 -8.550 10.703 9.807 222 HD1 HIS 40 HD1 HIS 40 -7.398 8.583 10.385 223 HD2 HIS 40 HD2 HIS 40 -5.003 11.047 8.060 224 HE1 HIS 40 HE1 HIS 40 -5.331 7.269 9.912 225 H GLU 41 H GLU 41 -7.323 9.560 6.533 226 HA GLU 41 HA GLU 41 -9.809 9.353 5.209 227 HB2 GLU 41 2HB GLU 41 -8.668 7.737 3.666 228 HB3 GLU 41 1HB GLU 41 -8.188 9.422 3.694 229 HG2 GLU 41 2HG GLU 41 -6.250 8.803 5.069 230 HG3 GLU 41 1HG GLU 41 -6.704 7.103 4.862 231 H GLU 42 H GLU 42 -9.322 7.957 7.990 232 HA GLU 42 HA GLU 42 -10.596 5.460 7.151 233 HB2 GLU 42 2HB GLU 42 -10.154 4.590 9.332 234 HB3 GLU 42 1HB GLU 42 -8.769 5.596 9.018 235 HG2 GLU 42 2HG GLU 42 -11.137 6.526 10.629 236 HG3 GLU 42 1HG GLU 42 -9.716 5.763 11.329 237 H SER 43 H SER 43 -11.230 8.584 8.042 238 HA SER 43 HA SER 43 -13.672 8.250 9.427 239 HB2 SER 43 2HB SER 43 -12.419 10.679 8.148 240 HB3 SER 43 1HB SER 43 -13.794 10.696 9.256 241 HG SER 43 HG SER 43 -11.218 9.621 9.927 242 H ASN 44 H ASN 44 -15.697 8.713 8.726 243 HA ASN 44 HA ASN 44 -16.271 7.867 6.046 244 HB2 ASN 44 2HB ASN 44 -17.590 7.061 7.990 245 HB3 ASN 44 1HB ASN 44 -18.164 8.694 8.268 246 HD21 ASN 44 1HD2 ASN 44 -19.604 6.182 7.683 247 HD22 ASN 44 2HD2 ASN 44 -20.568 6.527 6.292 248 H LEU 45 H LEU 45 -16.334 9.141 4.423 249 HA LEU 45 HA LEU 45 -16.231 11.963 4.545 250 HB2 LEU 45 2HB LEU 45 -16.556 10.065 2.261 251 HB3 LEU 45 1HB LEU 45 -16.675 11.792 2.011 252 HG LEU 45 HG LEU 45 -14.197 10.402 3.122 253 HD11 LEU 45 1HD1 LEU 45 -14.769 11.465 0.389 254 HD12 LEU 45 2HD1 LEU 45 -14.627 9.761 0.840 255 HD13 LEU 45 3HD1 LEU 45 -13.232 10.833 0.977 256 HD21 LEU 45 1HD2 LEU 45 -14.456 12.765 3.856 257 HD22 LEU 45 2HD2 LEU 45 -14.669 13.256 2.181 258 HD23 LEU 45 3HD2 LEU 45 -13.142 12.575 2.703 259 H ILE 46 H ILE 46 -19.002 9.875 4.344 260 HA ILE 46 HA ILE 46 -20.781 11.820 3.245 261 HB ILE 46 HB ILE 46 -21.399 9.415 5.004 262 HG12 ILE 46 2HG1 ILE 46 -20.305 8.755 2.911 263 HG13 ILE 46 1HG1 ILE 46 -21.981 8.230 2.932 264 HG21 ILE 46 1HG2 ILE 46 -23.696 9.541 4.142 265 HG22 ILE 46 2HG2 ILE 46 -23.284 11.032 3.295 266 HG23 ILE 46 3HG2 ILE 46 -23.247 10.983 5.056 267 HD11 ILE 46 1HD1 ILE 46 -21.363 9.033 0.764 268 HD12 ILE 46 2HD1 ILE 46 -20.845 10.579 1.444 269 HD13 ILE 46 3HD1 ILE 46 -22.553 10.120 1.484 270 H GLN 47 H GLN 47 -19.556 11.075 6.374 271 HA GLN 47 HA GLN 47 -21.449 12.703 7.826 272 HB2 GLN 47 2HB GLN 47 -18.893 11.381 8.761 273 HB3 GLN 47 1HB GLN 47 -20.065 12.168 9.804 274 HG2 GLN 47 2HG GLN 47 -20.591 9.719 8.121 275 HG3 GLN 47 1HG GLN 47 -20.238 9.714 9.842 276 HE21 GLN 47 1HE2 GLN 47 -22.184 8.743 10.378 277 HE22 GLN 47 2HE2 GLN 47 -23.693 9.588 10.251 278 H ALA 48 H ALA 48 -18.679 13.216 6.047 279 HA ALA 48 HA ALA 48 -17.870 15.625 7.454 280 HB1 ALA 48 1HB ALA 48 -16.153 15.807 5.694 281 HB2 ALA 48 2HB ALA 48 -16.869 14.431 4.857 282 HB3 ALA 48 3HB ALA 48 -16.128 14.209 6.442 283 H GLY 49 H GLY 49 -20.226 14.680 5.386 284 HA2 GLY 49 2HA GLY 49 -21.907 15.974 4.603 285 HA3 GLY 49 1HA GLY 49 -20.899 17.413 4.758 286 H LEU 50 H LEU 50 -19.939 14.474 3.006 287 HA LEU 50 HA LEU 50 -19.569 15.926 0.521 288 HB2 LEU 50 2HB LEU 50 -18.263 13.879 1.589 289 HB3 LEU 50 1HB LEU 50 -19.586 12.986 0.852 290 HG LEU 50 HG LEU 50 -19.074 13.894 -1.279 291 HD11 LEU 50 1HD1 LEU 50 -16.677 15.189 0.111 292 HD12 LEU 50 2HD1 LEU 50 -17.983 16.029 -0.725 293 HD13 LEU 50 3HD1 LEU 50 -16.862 15.020 -1.631 294 HD21 LEU 50 1HD2 LEU 50 -17.031 12.659 -1.641 295 HD22 LEU 50 2HD2 LEU 50 -18.149 11.807 -0.541 296 HD23 LEU 50 3HD2 LEU 50 -16.749 12.687 0.101 297 H ASP 51 H ASP 51 -21.308 16.665 -0.235 298 HA ASP 51 HA ASP 51 -23.800 15.447 -0.228 299 HB2 ASP 51 2HB ASP 51 -24.428 17.033 -1.972 300 HB3 ASP 51 1HB ASP 51 -23.453 17.845 -0.753 301 H SER 52 H SER 52 -24.937 14.470 -1.972 302 HA SER 52 HA SER 52 -23.320 12.427 -3.012 303 HB2 SER 52 2HB SER 52 -26.248 12.897 -3.474 304 HB3 SER 52 1HB SER 52 -25.297 11.437 -3.841 305 HG SER 52 HG SER 52 -24.805 12.148 -1.336 306 H ILE 53 H ILE 53 -24.087 15.503 -4.354 307 HA ILE 53 HA ILE 53 -23.938 14.488 -7.029 308 HB ILE 53 HB ILE 53 -23.461 17.363 -6.176 309 HG12 ILE 53 2HG1 ILE 53 -25.755 16.664 -5.570 310 HG13 ILE 53 1HG1 ILE 53 -25.788 17.799 -6.912 311 HG21 ILE 53 1HG2 ILE 53 -22.511 16.693 -8.399 312 HG22 ILE 53 2HG2 ILE 53 -23.804 17.875 -8.584 313 HG23 ILE 53 3HG2 ILE 53 -24.099 16.167 -8.901 314 HD11 ILE 53 1HD1 ILE 53 -26.130 15.926 -8.464 315 HD12 ILE 53 2HD1 ILE 53 -27.396 16.016 -7.242 316 HD13 ILE 53 3HD1 ILE 53 -26.122 14.806 -7.101 317 H ARG 54 H ARG 54 -21.799 16.073 -4.655 318 HA ARG 54 HA ARG 54 -19.433 16.194 -6.047 319 HB2 ARG 54 2HB ARG 54 -20.276 16.093 -3.307 320 HB3 ARG 54 1HB ARG 54 -18.879 15.056 -3.511 321 HG2 ARG 54 2HG ARG 54 -18.196 17.247 -2.816 322 HG3 ARG 54 1HG ARG 54 -17.643 16.943 -4.463 323 HD2 ARG 54 2HD ARG 54 -19.395 18.293 -5.366 324 HD3 ARG 54 1HD ARG 54 -20.150 18.466 -3.780 325 HE ARG 54 HE ARG 54 -17.613 19.659 -4.653 326 HH11 ARG 54 1HH1 ARG 54 -20.349 19.496 -2.365 327 HH12 ARG 54 2HH1 ARG 54 -19.896 20.868 -1.490 328 HH21 ARG 54 1HH2 ARG 54 -16.980 21.516 -3.496 329 HH22 ARG 54 2HH2 ARG 54 -17.836 22.078 -2.131 330 H LEU 55 H LEU 55 -20.853 13.632 -4.265 331 HA LEU 55 HA LEU 55 -19.011 11.607 -4.489 332 HB2 LEU 55 2HB LEU 55 -21.275 11.978 -3.118 333 HB3 LEU 55 1HB LEU 55 -21.939 11.134 -4.464 334 HG LEU 55 HG LEU 55 -20.886 9.095 -3.921 335 HD11 LEU 55 1HD1 LEU 55 -19.191 8.958 -2.137 336 HD12 LEU 55 2HD1 LEU 55 -19.222 10.719 -1.986 337 HD13 LEU 55 3HD1 LEU 55 -18.629 9.970 -3.462 338 HD21 LEU 55 1HD2 LEU 55 -22.734 9.765 -2.448 339 HD22 LEU 55 2HD2 LEU 55 -21.546 10.483 -1.344 340 HD23 LEU 55 3HD2 LEU 55 -21.546 8.748 -1.630 341 H MET 56 H MET 56 -21.937 12.147 -6.530 342 HA MET 56 HA MET 56 -21.098 10.005 -8.247 343 HB2 MET 56 2HB MET 56 -23.123 10.384 -9.569 344 HB3 MET 56 1HB MET 56 -23.434 10.172 -7.857 345 HG2 MET 56 2HG MET 56 -23.639 12.623 -7.658 346 HG3 MET 56 1HG MET 56 -23.499 12.743 -9.414 347 HE1 MET 56 HE1 MET 56 -26.924 10.537 -7.225 348 HE2 MET 56 HE2 MET 56 -25.552 11.301 -6.412 349 HE3 MET 56 HE3 MET 56 -25.306 9.861 -7.383 350 H ARG 57 H ARG 57 -20.580 13.399 -8.335 351 HA ARG 57 HA ARG 57 -20.073 13.644 -11.050 352 HB2 ARG 57 2HB ARG 57 -18.422 14.854 -8.847 353 HB3 ARG 57 1HB ARG 57 -18.335 15.328 -10.517 354 HG2 ARG 57 2HG ARG 57 -20.545 16.266 -10.437 355 HG3 ARG 57 1HG ARG 57 -20.770 15.642 -8.791 356 HD2 ARG 57 2HD ARG 57 -18.841 17.756 -9.719 357 HD3 ARG 57 1HD ARG 57 -20.126 17.903 -8.509 358 HE ARG 57 HE ARG 57 -18.530 15.894 -7.609 359 HH11 ARG 57 1HH1 ARG 57 -18.096 19.387 -8.096 360 HH12 ARG 57 2HH1 ARG 57 -16.726 19.412 -7.059 361 HH21 ARG 57 1HH2 ARG 57 -16.551 16.014 -6.367 362 HH22 ARG 57 2HH2 ARG 57 -15.813 17.544 -6.206 363 H TRP 58 H TRP 58 -18.237 12.612 -8.217 364 HA TRP 58 HA TRP 58 -15.729 12.213 -9.275 365 HB2 TRP 58 2HB TRP 58 -17.067 11.004 -6.867 366 HB3 TRP 58 1HB TRP 58 -15.419 10.593 -7.309 367 HD1 TRP 58 HD1 TRP 58 -16.808 12.484 -4.716 368 HE1 TRP 58 HE1 TRP 58 -15.452 14.553 -4.094 369 HE3 TRP 58 HE3 TRP 58 -14.031 13.003 -9.017 370 HZ2 TRP 58 HZ2 TRP 58 -13.441 16.184 -5.269 371 HZ3 TRP 58 HZ3 TRP 58 -12.463 14.842 -9.154 372 HH2 TRP 58 HH2 TRP 58 -12.182 16.392 -7.343 373 H LEU 59 H LEU 59 -18.447 10.041 -9.169 374 HA LEU 59 HA LEU 59 -17.259 7.647 -9.954 375 HB2 LEU 59 2HB LEU 59 -19.648 8.007 -9.250 376 HB3 LEU 59 1HB LEU 59 -19.967 8.722 -10.804 377 HG LEU 59 HG LEU 59 -20.831 6.388 -10.492 378 HD11 LEU 59 1HD1 LEU 59 -20.161 5.515 -12.666 379 HD12 LEU 59 2HD1 LEU 59 -18.867 6.711 -12.746 380 HD13 LEU 59 3HD1 LEU 59 -20.552 7.233 -12.738 381 HD21 LEU 59 1HD2 LEU 59 -18.996 5.482 -9.188 382 HD22 LEU 59 2HD2 LEU 59 -17.914 5.637 -10.573 383 HD23 LEU 59 3HD2 LEU 59 -19.272 4.517 -10.636 384 H HIS 60 H HIS 60 -18.157 10.433 -11.850 385 HA HIS 60 HA HIS 60 -17.536 9.193 -14.373 386 HB2 HIS 60 2HB HIS 60 -18.326 12.013 -13.620 387 HB3 HIS 60 1HB HIS 60 -18.001 11.506 -15.277 388 HD1 HIS 60 HD1 HIS 60 -20.588 11.079 -12.504 389 HD2 HIS 60 HD2 HIS 60 -19.927 9.965 -16.461 390 HE1 HIS 60 HE1 HIS 60 -22.733 10.071 -13.318 391 H TRP 61 H TRP 61 -16.007 11.198 -12.038 392 HA TRP 61 HA TRP 61 -13.824 12.112 -13.606 393 HB2 TRP 61 2HB TRP 61 -14.665 13.042 -11.371 394 HB3 TRP 61 1HB TRP 61 -13.856 11.674 -10.622 395 HD1 TRP 61 HD1 TRP 61 -13.243 15.102 -11.995 396 HE1 TRP 61 HE1 TRP 61 -10.790 15.766 -11.672 397 HE3 TRP 61 HE3 TRP 61 -11.397 10.584 -10.559 398 HZ2 TRP 61 HZ2 TRP 61 -8.382 14.527 -10.915 399 HZ3 TRP 61 HZ3 TRP 61 -9.013 10.410 -10.051 400 HH2 TRP 61 HH2 TRP 61 -7.544 12.323 -10.228 401 H PHE 62 H PHE 62 -14.384 9.316 -11.525 402 HA PHE 62 HA PHE 62 -11.846 8.098 -11.716 403 HB2 PHE 62 2HB PHE 62 -14.614 6.925 -11.438 404 HB3 PHE 62 1HB PHE 62 -13.182 5.918 -11.485 405 HD1 PHE 62 HD1 PHE 62 -11.464 6.314 -9.790 406 HD2 PHE 62 HD2 PHE 62 -15.350 7.859 -9.451 407 HE1 PHE 62 HE1 PHE 62 -11.162 6.521 -7.320 408 HE2 PHE 62 HE2 PHE 62 -15.091 8.095 -7.024 409 HZ PHE 62 HZ PHE 62 -12.982 7.422 -5.959 410 H ARG 63 H ARG 63 -14.712 7.833 -13.606 411 HA ARG 63 HA ARG 63 -13.800 5.791 -15.258 412 HB2 ARG 63 2HB ARG 63 -16.171 6.618 -14.570 413 HB3 ARG 63 1HB ARG 63 -16.075 7.515 -16.088 414 HG2 ARG 63 2HG ARG 63 -15.629 5.346 -17.240 415 HG3 ARG 63 1HG ARG 63 -15.840 4.552 -15.668 416 HD2 ARG 63 2HD ARG 63 -17.904 4.437 -16.959 417 HD3 ARG 63 1HD ARG 63 -18.107 5.417 -15.508 418 HE ARG 63 HE ARG 63 -17.513 6.703 -18.056 419 HH11 ARG 63 1HH1 ARG 63 -19.800 6.195 -15.392 420 HH12 ARG 63 2HH1 ARG 63 -20.887 7.414 -15.866 421 HH21 ARG 63 1HH2 ARG 63 -19.059 8.393 -18.757 422 HH22 ARG 63 2HH2 ARG 63 -20.458 8.678 -17.835 423 H LYS 64 H LYS 64 -13.030 9.122 -15.430 424 HA LYS 64 HA LYS 64 -12.841 9.874 -18.107 425 HB2 LYS 64 2HB LYS 64 -10.476 10.132 -16.262 426 HB3 LYS 64 1HB LYS 64 -10.820 11.114 -17.660 427 HG2 LYS 64 2HG LYS 64 -12.731 12.084 -16.409 428 HG3 LYS 64 1HG LYS 64 -12.223 11.138 -15.004 429 HD2 LYS 64 2HD LYS 64 -10.672 13.334 -16.405 430 HD3 LYS 64 1HD LYS 64 -11.273 13.336 -14.754 431 HE2 LYS 64 2HE LYS 64 -9.063 11.513 -15.807 432 HE3 LYS 64 1HE LYS 64 -8.809 12.989 -14.904 433 HZ1 LYS 64 1HZ LYS 64 -9.817 11.994 -12.977 434 HZ2 LYS 64 2HZ LYS 64 -8.630 10.958 -13.513 435 HZ3 LYS 64 3HZ LYS 64 -10.250 10.611 -13.811 436 H ASN 65 H ASN 65 -10.523 7.949 -16.265 437 HA ASN 65 HA ASN 65 -8.988 7.379 -18.711 438 HB2 ASN 65 2HB ASN 65 -8.198 6.915 -15.818 439 HB3 ASN 65 1HB ASN 65 -7.164 6.703 -17.220 440 HD21 ASN 65 1HD2 ASN 65 -6.766 8.348 -14.907 441 HD22 ASN 65 2HD2 ASN 65 -6.602 9.969 -15.433 442 H GLY 66 H GLY 66 -11.520 6.200 -17.632 443 HA2 GLY 66 2HA GLY 66 -12.501 4.160 -17.805 444 HA3 GLY 66 1HA GLY 66 -10.949 3.514 -18.318 445 H TYR 67 H TYR 67 -11.438 5.200 -15.217 446 HA TYR 67 HA TYR 67 -10.509 2.846 -13.944 447 HB2 TYR 67 2HB TYR 67 -11.459 5.420 -12.718 448 HB3 TYR 67 1HB TYR 67 -11.029 4.017 -11.739 449 HD1 TYR 67 HD1 TYR 67 -8.713 2.921 -12.539 450 HD2 TYR 67 HD2 TYR 67 -9.861 6.960 -12.951 451 HE1 TYR 67 HE1 TYR 67 -6.351 3.539 -12.696 452 HE2 TYR 67 HE2 TYR 67 -7.484 7.621 -13.143 453 HH TYR 67 HH TYR 67 -5.285 6.737 -12.500 454 H ARG 68 H ARG 68 -11.719 2.211 -11.881 455 HA ARG 68 HA ARG 68 -14.317 1.345 -12.922 456 HB2 ARG 68 2HB ARG 68 -11.980 -0.490 -12.473 457 HB3 ARG 68 1HB ARG 68 -13.638 -1.059 -12.567 458 HG2 ARG 68 2HG ARG 68 -13.827 -0.492 -14.827 459 HG3 ARG 68 1HG ARG 68 -12.437 0.590 -14.760 460 HD2 ARG 68 2HD ARG 68 -12.307 -2.407 -14.441 461 HD3 ARG 68 1HD ARG 68 -11.963 -1.542 -15.941 462 HE ARG 68 HE ARG 68 -10.367 -1.556 -13.495 463 HH11 ARG 68 1HH1 ARG 68 -10.699 -0.543 -16.871 464 HH12 ARG 68 2HH1 ARG 68 -9.141 0.116 -17.005 465 HH21 ARG 68 1HH2 ARG 68 -8.224 -0.607 -13.641 466 HH22 ARG 68 2HH2 ARG 68 -7.662 0.038 -15.110 467 H LEU 69 H LEU 69 -15.473 1.986 -11.258 468 HA LEU 69 HA LEU 69 -15.636 0.128 -9.197 469 HB2 LEU 69 2HB LEU 69 -15.437 1.696 -7.240 470 HB3 LEU 69 1HB LEU 69 -13.924 1.293 -8.006 471 HG LEU 69 HG LEU 69 -14.050 3.564 -9.150 472 HD11 LEU 69 1HD1 LEU 69 -15.410 5.280 -8.088 473 HD12 LEU 69 2HD1 LEU 69 -16.181 4.056 -7.079 474 HD13 LEU 69 3HD1 LEU 69 -16.416 4.033 -8.827 475 HD21 LEU 69 1HD2 LEU 69 -13.226 4.726 -7.160 476 HD22 LEU 69 2HD2 LEU 69 -12.558 3.103 -7.320 477 HD23 LEU 69 3HD2 LEU 69 -13.845 3.416 -6.154 478 H THR 70 H THR 70 -17.543 0.451 -7.914 479 HA THR 70 HA THR 70 -19.375 2.128 -9.441 480 HB THR 70 HB THR 70 -21.206 0.820 -8.372 481 HG1 THR 70 1HG THR 70 -18.998 -0.473 -7.174 482 HG21 THR 70 1HG2 THR 70 -20.844 -1.289 -9.588 483 HG22 THR 70 2HG2 THR 70 -19.137 -0.886 -9.765 484 HG23 THR 70 3HG2 THR 70 -20.362 0.105 -10.556 485 H LEU 71 H LEU 71 -20.654 3.634 -8.386 486 HA LEU 71 HA LEU 71 -19.528 4.926 -6.165 487 HB2 LEU 71 2HB LEU 71 -21.176 5.761 -7.984 488 HB3 LEU 71 1HB LEU 71 -22.333 5.039 -6.869 489 HG LEU 71 HG LEU 71 -21.800 6.557 -5.124 490 HD11 LEU 71 1HD1 LEU 71 -20.201 8.423 -5.651 491 HD12 LEU 71 2HD1 LEU 71 -19.739 7.419 -7.059 492 HD13 LEU 71 3HD1 LEU 71 -19.530 6.799 -5.430 493 HD21 LEU 71 1HD2 LEU 71 -22.540 8.650 -6.127 494 HD22 LEU 71 2HD2 LEU 71 -23.463 7.287 -6.767 495 HD23 LEU 71 3HD2 LEU 71 -22.178 8.017 -7.732 496 H ARG 72 H ARG 72 -21.832 2.448 -6.520 497 HA ARG 72 HA ARG 72 -23.208 2.082 -4.176 498 HB2 ARG 72 2HB ARG 72 -23.432 0.582 -6.018 499 HB3 ARG 72 1HB ARG 72 -21.731 0.168 -5.967 500 HG2 ARG 72 2HG ARG 72 -22.215 -0.862 -3.686 501 HG3 ARG 72 1HG ARG 72 -23.924 -0.699 -4.105 502 HD2 ARG 72 2HD ARG 72 -23.056 -2.932 -4.675 503 HD3 ARG 72 1HD ARG 72 -23.582 -2.050 -6.110 504 HE ARG 72 HE ARG 72 -21.027 -1.445 -6.190 505 HH11 ARG 72 1HH1 ARG 72 -22.392 -4.617 -5.442 506 HH12 ARG 72 2HH1 ARG 72 -21.040 -5.489 -6.007 507 HH21 ARG 72 1HH2 ARG 72 -19.181 -2.588 -6.943 508 HH22 ARG 72 2HH2 ARG 72 -19.128 -4.276 -6.898 509 H GLU 73 H GLU 73 -19.833 1.648 -4.851 510 HA GLU 73 HA GLU 73 -19.271 0.205 -2.378 511 HB2 GLU 73 2HB GLU 73 -17.475 1.123 -4.628 512 HB3 GLU 73 1HB GLU 73 -16.925 0.178 -3.244 513 HG2 GLU 73 2HG GLU 73 -18.244 -1.657 -3.841 514 HG3 GLU 73 1HG GLU 73 -19.153 -0.687 -5.009 515 H LEU 74 H LEU 74 -19.054 3.336 -3.673 516 HA LEU 74 HA LEU 74 -17.336 4.391 -1.593 517 HB2 LEU 74 2HB LEU 74 -18.993 5.981 -3.552 518 HB3 LEU 74 1HB LEU 74 -17.600 6.533 -2.649 519 HG LEU 74 HG LEU 74 -17.646 4.663 -5.009 520 HD11 LEU 74 1HD1 LEU 74 -17.648 7.014 -5.588 521 HD12 LEU 74 2HD1 LEU 74 -16.104 6.276 -5.982 522 HD13 LEU 74 3HD1 LEU 74 -16.254 7.277 -4.544 523 HD21 LEU 74 1HD2 LEU 74 -15.224 4.412 -4.756 524 HD22 LEU 74 2HD2 LEU 74 -16.107 3.708 -3.402 525 HD23 LEU 74 3HD2 LEU 74 -15.300 5.266 -3.216 526 H TYR 75 H TYR 75 -20.688 3.902 -2.071 527 HA TYR 75 HA TYR 75 -21.458 5.516 0.209 528 HB2 TYR 75 2HB TYR 75 -22.960 3.641 -1.599 529 HB3 TYR 75 1HB TYR 75 -23.646 4.118 -0.057 530 HD1 TYR 75 HD1 TYR 75 -22.762 5.252 -3.438 531 HD2 TYR 75 HD2 TYR 75 -24.464 6.352 0.298 532 HE1 TYR 75 HE1 TYR 75 -23.763 7.251 -4.479 533 HE2 TYR 75 HE2 TYR 75 -25.457 8.350 -0.727 534 HH TYR 75 HH TYR 75 -25.226 9.767 -2.617 535 H ALA 76 H ALA 76 -20.793 2.155 -0.532 536 HA ALA 76 HA ALA 76 -21.683 1.048 1.908 537 HB1 ALA 76 1HB ALA 76 -19.587 -0.014 0.010 538 HB2 ALA 76 2HB ALA 76 -21.322 -0.303 -0.115 539 HB3 ALA 76 3HB ALA 76 -20.418 -0.941 1.260 540 H ALA 77 H ALA 77 -18.469 2.047 0.794 541 HA ALA 77 HA ALA 77 -17.755 2.348 3.603 542 HB1 ALA 77 1HB ALA 77 -15.473 1.587 3.123 543 HB2 ALA 77 2HB ALA 77 -15.929 1.258 1.451 544 HB3 ALA 77 3HB ALA 77 -16.645 0.318 2.760 545 HA PRO 78 HA PRO 78 -17.015 6.161 1.263 546 HB2 PRO 78 2HB PRO 78 -18.264 7.705 3.303 547 HB3 PRO 78 1HB PRO 78 -18.926 7.311 1.705 548 HG2 PRO 78 2HG PRO 78 -19.955 6.399 4.098 549 HG3 PRO 78 1HG PRO 78 -20.254 5.681 2.504 550 HD2 PRO 78 2HD PRO 78 -18.381 4.794 4.638 551 HD3 PRO 78 1HD PRO 78 -19.326 3.835 3.475 552 H THR 79 H THR 79 -14.861 5.705 1.876 553 HA THR 79 HA THR 79 -13.875 7.603 3.832 554 HB THR 79 HB THR 79 -12.099 5.871 4.442 555 HG1 THR 79 1HG THR 79 -13.972 3.970 3.510 556 HG21 THR 79 1HG2 THR 79 -13.485 4.667 6.085 557 HG22 THR 79 2HG2 THR 79 -14.936 5.176 5.212 558 HG23 THR 79 3HG2 THR 79 -13.918 6.377 6.001 559 H LEU 80 H LEU 80 -12.097 8.599 3.025 560 HA LEU 80 HA LEU 80 -11.703 8.862 0.331 561 HB2 LEU 80 2HB LEU 80 -11.048 10.317 2.081 562 HB3 LEU 80 1HB LEU 80 -9.754 9.195 2.514 563 HG LEU 80 HG LEU 80 -8.706 9.665 0.289 564 HD11 LEU 80 1HD1 LEU 80 -9.460 11.671 -0.911 565 HD12 LEU 80 2HD1 LEU 80 -10.832 11.782 0.183 566 HD13 LEU 80 3HD1 LEU 80 -10.692 10.402 -0.916 567 HD21 LEU 80 1HD2 LEU 80 -7.950 10.784 2.247 568 HD22 LEU 80 2HD2 LEU 80 -9.262 11.962 2.074 569 HD23 LEU 80 3HD2 LEU 80 -7.954 11.909 0.872 570 H ALA 81 H ALA 81 -9.970 6.822 2.650 571 HA ALA 81 HA ALA 81 -7.915 5.864 1.004 572 HB1 ALA 81 1HB ALA 81 -9.166 4.564 3.417 573 HB2 ALA 81 2HB ALA 81 -7.840 5.729 3.441 574 HB3 ALA 81 3HB ALA 81 -7.611 4.145 2.704 575 H ALA 82 H ALA 82 -11.238 4.781 1.468 576 HA ALA 82 HA ALA 82 -10.834 2.207 0.364 577 HB1 ALA 82 1HB ALA 82 -13.253 2.026 0.250 578 HB2 ALA 82 2HB ALA 82 -13.410 3.750 0.584 579 HB3 ALA 82 3HB ALA 82 -12.748 2.671 1.813 580 H TRP 83 H TRP 83 -12.039 5.248 -1.006 581 HA TRP 83 HA TRP 83 -12.768 4.167 -3.538 582 HB2 TRP 83 2HB TRP 83 -11.703 7.011 -3.428 583 HB3 TRP 83 1HB TRP 83 -12.970 6.296 -4.376 584 HD1 TRP 83 HD1 TRP 83 -13.743 5.658 -0.779 585 HE1 TRP 83 HE1 TRP 83 -15.603 7.246 -0.089 586 HE3 TRP 83 HE3 TRP 83 -13.555 8.864 -4.731 587 HZ2 TRP 83 HZ2 TRP 83 -16.796 9.605 -1.045 588 HZ3 TRP 83 HZ3 TRP 83 -15.067 10.772 -4.752 589 HH2 TRP 83 HH2 TRP 83 -16.652 11.139 -2.955 590 H ASN 84 H ASN 84 -9.862 5.526 -2.226 591 HA ASN 84 HA ASN 84 -8.192 5.648 -4.478 592 HB2 ASN 84 2HB ASN 84 -7.799 6.708 -2.248 593 HB3 ASN 84 1HB ASN 84 -7.451 5.119 -1.593 594 HD21 ASN 84 1HD2 ASN 84 -5.430 5.747 -0.971 595 HD22 ASN 84 2HD2 ASN 84 -4.134 6.052 -2.065 596 H GLN 85 H GLN 85 -8.515 3.152 -1.962 597 HA GLN 85 HA GLN 85 -6.730 1.330 -3.201 598 HB2 GLN 85 2HB GLN 85 -8.798 0.907 -1.051 599 HB3 GLN 85 1HB GLN 85 -7.650 -0.320 -1.566 600 HG2 GLN 85 2HG GLN 85 -5.799 1.057 -0.841 601 HG3 GLN 85 1HG GLN 85 -6.914 2.363 -0.436 602 HE21 GLN 85 1HE2 GLN 85 -8.175 2.189 1.352 603 HE22 GLN 85 2HE2 GLN 85 -7.868 1.027 2.611 604 H LEU 86 H LEU 86 -10.154 1.894 -3.525 605 HA LEU 86 HA LEU 86 -10.810 -0.542 -4.703 606 HB2 LEU 86 2HB LEU 86 -12.100 2.142 -4.985 607 HB3 LEU 86 1HB LEU 86 -12.736 0.694 -5.741 608 HG LEU 86 HG LEU 86 -12.397 1.126 -2.771 609 HD11 LEU 86 1HD1 LEU 86 -14.836 0.964 -4.480 610 HD12 LEU 86 2HD1 LEU 86 -14.167 2.434 -3.750 611 HD13 LEU 86 3HD1 LEU 86 -14.804 1.141 -2.721 612 HD21 LEU 86 1HD2 LEU 86 -12.102 -1.231 -3.322 613 HD22 LEU 86 2HD2 LEU 86 -13.579 -1.201 -4.287 614 HD23 LEU 86 3HD2 LEU 86 -13.661 -0.968 -2.544 615 H MET 87 H MET 87 -9.388 2.349 -6.112 616 HA MET 87 HA MET 87 -9.608 1.553 -8.808 617 HB2 MET 87 2HB MET 87 -7.443 3.174 -7.448 618 HB3 MET 87 1HB MET 87 -7.397 2.807 -9.160 619 HG2 MET 87 2HG MET 87 -9.557 3.996 -9.420 620 HG3 MET 87 1HG MET 87 -9.465 4.450 -7.716 621 HE1 MET 87 HE1 MET 87 -9.611 6.384 -10.352 622 HE2 MET 87 HE2 MET 87 -8.585 7.762 -9.835 623 HE3 MET 87 HE3 MET 87 -9.732 7.066 -8.730 624 H LEU 88 H LEU 88 -7.100 0.912 -6.434 625 HA LEU 88 HA LEU 88 -5.463 -0.715 -8.045 626 HB2 LEU 88 2HB LEU 88 -5.686 -0.306 -5.106 627 HB3 LEU 88 1HB LEU 88 -4.681 -1.610 -5.725 628 HG LEU 88 HG LEU 88 -3.414 0.069 -6.892 629 HD11 LEU 88 1HD1 LEU 88 -5.126 2.067 -5.373 630 HD12 LEU 88 2HD1 LEU 88 -5.056 1.892 -7.128 631 HD13 LEU 88 3HD1 LEU 88 -3.659 2.470 -6.257 632 HD21 LEU 88 1HD2 LEU 88 -2.317 0.978 -4.909 633 HD22 LEU 88 2HD2 LEU 88 -2.706 -0.750 -4.837 634 HD23 LEU 88 3HD2 LEU 88 -3.700 0.415 -3.949 635 H SER 89 H SER 89 -8.247 -1.399 -6.121 636 HA SER 89 HA SER 89 -7.872 -4.255 -6.170 637 HB2 SER 89 2HB SER 89 -10.228 -2.613 -5.245 638 HB3 SER 89 1HB SER 89 -9.965 -4.327 -4.928 639 HG SER 89 HG SER 89 -8.349 -2.160 -4.056 640 H ARG 90 H ARG 90 -8.839 -2.165 -8.519 641 HA ARG 90 HA ARG 90 -10.502 -4.246 -9.797 642 HB2 ARG 90 2HB ARG 90 -10.956 -1.267 -10.118 643 HB3 ARG 90 1HB ARG 90 -11.919 -2.557 -10.805 644 HG2 ARG 90 2HG ARG 90 -11.718 -1.864 -7.877 645 HG3 ARG 90 1HG ARG 90 -13.041 -1.434 -8.949 646 HD2 ARG 90 2HD ARG 90 -13.599 -3.770 -9.228 647 HD3 ARG 90 1HD ARG 90 -12.208 -4.242 -8.248 648 HE ARG 90 HE ARG 90 -14.522 -2.712 -7.233 649 HH11 ARG 90 1HH1 ARG 90 -11.884 -5.016 -6.682 650 HH12 ARG 90 2HH1 ARG 90 -12.343 -5.369 -5.082 651 HH21 ARG 90 1HH2 ARG 90 -15.126 -3.125 -5.102 652 HH22 ARG 90 2HH2 ARG 90 -14.279 -4.227 -4.113 653 H SER 91 H SER 91 -7.560 -3.117 -9.883 654 HA SER 91 HA SER 91 -7.454 -2.955 -12.782 655 HB2 SER 91 2HB SER 91 -6.130 -0.917 -10.991 656 HB3 SER 91 1HB SER 91 -6.073 -0.971 -12.752 657 HG SER 91 HG SER 91 -8.046 -0.234 -11.009 658 HA PRO 92 HA PRO 92 -3.490 -4.932 -11.773 659 HB2 PRO 92 2HB PRO 92 -2.858 -5.203 -14.538 660 HB3 PRO 92 1HB PRO 92 -3.553 -6.465 -13.507 661 HG2 PRO 92 2HG PRO 92 -4.833 -5.270 -15.658 662 HG3 PRO 92 1HG PRO 92 -5.606 -6.217 -14.374 663 HD2 PRO 92 2HD PRO 92 -5.471 -3.267 -14.703 664 HD3 PRO 92 1HD PRO 92 -6.744 -4.294 -14.000 665 H GLU 93 H GLU 93 -1.868 -3.539 -11.207 666 HA GLU 93 HA GLU 93 -0.917 -1.564 -13.108 667 HB2 GLU 93 2HB GLU 93 -1.504 -1.038 -10.178 668 HB3 GLU 93 1HB GLU 93 -0.884 0.114 -11.338 669 HG2 GLU 93 2HG GLU 93 -2.986 0.380 -12.357 670 HG3 GLU 93 1HG GLU 93 -3.611 -1.110 -11.646 Start of MODEL 9 1 H ASP 14 1H ASP 14 -3.097 -1.022 -2.633 2 HA ASP 14 HA ASP 14 -0.400 -1.229 -3.794 3 HB2 ASP 14 2HB ASP 14 -1.816 -3.078 -4.578 4 HB3 ASP 14 1HB ASP 14 -3.122 -1.949 -4.939 5 H ASN 15 H ASN 15 -0.282 0.211 -5.764 6 HA ASN 15 HA ASN 15 -2.149 2.277 -6.133 7 HB2 ASN 15 2HB ASN 15 -1.296 3.183 -4.015 8 HB3 ASN 15 1HB ASN 15 0.354 3.085 -4.614 9 HD21 ASN 15 1HD2 ASN 15 0.734 5.285 -4.380 10 HD22 ASN 15 2HD2 ASN 15 -0.006 6.467 -5.401 11 H ARG 16 H ARG 16 -1.709 1.387 -8.277 12 HA ARG 16 HA ARG 16 0.631 2.782 -9.170 13 HB2 ARG 16 2HB ARG 16 1.007 1.445 -11.134 14 HB3 ARG 16 1HB ARG 16 0.955 0.432 -9.715 15 HG2 ARG 16 2HG ARG 16 -1.322 0.848 -11.505 16 HG3 ARG 16 1HG ARG 16 -0.105 -0.394 -11.850 17 HD2 ARG 16 2HD ARG 16 -0.642 -1.292 -9.538 18 HD3 ARG 16 1HD ARG 16 -2.015 -0.189 -9.526 19 HE ARG 16 HE ARG 16 -2.007 -1.705 -11.939 20 HH11 ARG 16 1HH1 ARG 16 -2.842 -2.200 -8.514 21 HH12 ARG 16 2HH1 ARG 16 -3.908 -3.481 -8.848 22 HH21 ARG 16 1HH2 ARG 16 -3.320 -3.472 -12.363 23 HH22 ARG 16 2HH2 ARG 16 -4.183 -4.257 -11.122 24 H HIS 17 H HIS 17 -2.451 2.013 -10.809 25 HA HIS 17 HA HIS 17 -2.174 4.506 -12.162 26 HB2 HIS 17 2HB HIS 17 -4.299 2.375 -12.302 27 HB3 HIS 17 1HB HIS 17 -4.524 3.935 -13.094 28 HD1 HIS 17 HD1 HIS 17 -4.462 1.911 -15.241 29 HD2 HIS 17 HD2 HIS 17 -0.912 3.221 -13.467 30 HE1 HIS 17 HE1 HIS 17 -2.633 1.414 -16.852 31 H ALA 18 H ALA 18 -3.530 3.585 -9.262 32 HA ALA 18 HA ALA 18 -5.549 5.445 -8.872 33 HB1 ALA 18 1HB ALA 18 -3.719 4.392 -6.726 34 HB2 ALA 18 2HB ALA 18 -5.160 3.577 -7.360 35 HB3 ALA 18 3HB ALA 18 -5.320 5.110 -6.514 36 H ALA 19 H ALA 19 -2.251 6.081 -9.178 37 HA ALA 19 HA ALA 19 -1.818 8.424 -7.803 38 HB1 ALA 19 1HB ALA 19 -0.283 9.048 -9.603 39 HB2 ALA 19 2HB ALA 19 -1.020 7.845 -10.660 40 HB3 ALA 19 3HB ALA 19 -0.134 7.332 -9.224 41 H ASP 20 H ASP 20 -3.852 7.923 -10.677 42 HA ASP 20 HA ASP 20 -4.436 10.609 -11.358 43 HB2 ASP 20 2HB ASP 20 -5.161 8.755 -12.816 44 HB3 ASP 20 1HB ASP 20 -6.187 8.129 -11.538 45 H TYR 21 H TYR 21 -5.802 8.423 -9.026 46 HA TYR 21 HA TYR 21 -7.945 9.981 -8.127 47 HB2 TYR 21 2HB TYR 21 -7.723 7.528 -7.712 48 HB3 TYR 21 1HB TYR 21 -6.447 7.869 -6.556 49 HD1 TYR 21 HD1 TYR 21 -10.020 8.554 -7.250 50 HD2 TYR 21 HD2 TYR 21 -6.995 8.261 -4.326 51 HE1 TYR 21 HE1 TYR 21 -11.709 8.809 -5.480 52 HE2 TYR 21 HE2 TYR 21 -8.644 8.538 -2.561 53 HH TYR 21 HH TYR 21 -12.027 8.412 -3.158 54 H GLN 22 H GLN 22 -4.541 10.319 -7.501 55 HA GLN 22 HA GLN 22 -4.770 11.559 -4.961 56 HB2 GLN 22 2HB GLN 22 -2.561 10.889 -6.172 57 HB3 GLN 22 1HB GLN 22 -2.696 12.464 -6.950 58 HG2 GLN 22 2HG GLN 22 -2.894 13.448 -4.616 59 HG3 GLN 22 1HG GLN 22 -2.386 11.874 -4.016 60 HE21 GLN 22 1HE2 GLN 22 -1.396 14.880 -5.334 61 HE22 GLN 22 2HE2 GLN 22 0.274 14.512 -5.421 62 H GLN 23 H GLN 23 -5.050 12.714 -8.263 63 HA GLN 23 HA GLN 23 -5.284 15.493 -7.718 64 HB2 GLN 23 2HB GLN 23 -4.764 14.547 -9.937 65 HB3 GLN 23 1HB GLN 23 -6.359 13.836 -10.021 66 HG2 GLN 23 2HG GLN 23 -6.195 15.838 -11.398 67 HG3 GLN 23 1HG GLN 23 -7.349 16.074 -10.087 68 HE21 GLN 23 1HE2 GLN 23 -4.190 16.919 -11.303 69 HE22 GLN 23 2HE2 GLN 23 -3.986 18.296 -10.267 70 H LEU 24 H LEU 24 -7.441 12.855 -7.330 71 HA LEU 24 HA LEU 24 -9.728 14.546 -7.148 72 HB2 LEU 24 2HB LEU 24 -10.115 12.279 -7.948 73 HB3 LEU 24 1HB LEU 24 -9.460 11.519 -6.543 74 HG LEU 24 HG LEU 24 -11.988 13.190 -6.549 75 HD11 LEU 24 1HD1 LEU 24 -11.609 10.230 -6.921 76 HD12 LEU 24 2HD1 LEU 24 -12.249 11.372 -8.103 77 HD13 LEU 24 3HD1 LEU 24 -13.154 11.025 -6.631 78 HD21 LEU 24 1HD2 LEU 24 -12.520 11.947 -4.525 79 HD22 LEU 24 2HD2 LEU 24 -10.990 12.813 -4.336 80 HD23 LEU 24 3HD2 LEU 24 -10.992 11.074 -4.639 81 H ARG 25 H ARG 25 -7.164 13.653 -5.014 82 HA ARG 25 HA ARG 25 -8.556 14.093 -2.490 83 HB2 ARG 25 2HB ARG 25 -5.691 13.773 -3.282 84 HB3 ARG 25 1HB ARG 25 -6.035 14.656 -1.821 85 HG2 ARG 25 2HG ARG 25 -5.464 12.439 -1.273 86 HG3 ARG 25 1HG ARG 25 -7.177 12.668 -0.954 87 HD2 ARG 25 2HD ARG 25 -7.808 11.460 -2.789 88 HD3 ARG 25 1HD ARG 25 -6.214 11.523 -3.540 89 HE ARG 25 HE ARG 25 -6.644 10.057 -0.994 90 HH11 ARG 25 1HH1 ARG 25 -5.401 10.041 -4.308 91 HH12 ARG 25 2HH1 ARG 25 -4.683 8.493 -4.159 92 HH21 ARG 25 1HH2 ARG 25 -5.665 8.072 -0.787 93 HH22 ARG 25 2HH2 ARG 25 -4.861 7.302 -2.059 94 H GLU 26 H GLU 26 -6.213 15.678 -4.498 95 HA GLU 26 HA GLU 26 -5.712 18.006 -3.278 96 HB2 GLU 26 2HB GLU 26 -6.200 17.882 -6.253 97 HB3 GLU 26 1HB GLU 26 -4.984 18.798 -5.376 98 HG2 GLU 26 2HG GLU 26 -5.044 15.825 -5.828 99 HG3 GLU 26 1HG GLU 26 -4.003 16.982 -6.646 100 H ARG 27 H ARG 27 -8.394 17.350 -5.501 101 HA ARG 27 HA ARG 27 -9.525 19.926 -4.955 102 HB2 ARG 27 2HB ARG 27 -9.723 18.983 -7.216 103 HB3 ARG 27 1HB ARG 27 -10.681 17.658 -6.543 104 HG2 ARG 27 2HG ARG 27 -12.380 19.168 -5.838 105 HG3 ARG 27 1HG ARG 27 -11.432 20.551 -6.368 106 HD2 ARG 27 2HD ARG 27 -11.669 19.841 -8.675 107 HD3 ARG 27 1HD ARG 27 -12.550 18.394 -8.159 108 HE ARG 27 HE ARG 27 -13.892 20.448 -6.995 109 HH11 ARG 27 1HH1 ARG 27 -13.141 19.739 -10.360 110 HH12 ARG 27 2HH1 ARG 27 -14.540 20.520 -10.965 111 HH21 ARG 27 1HH2 ARG 27 -15.632 21.404 -7.676 112 HH22 ARG 27 2HH2 ARG 27 -16.099 21.563 -9.324 113 H LEU 28 H LEU 28 -10.119 16.602 -3.835 114 HA LEU 28 HA LEU 28 -12.641 16.911 -2.710 115 HB2 LEU 28 2HB LEU 28 -10.770 14.873 -2.837 116 HB3 LEU 28 1HB LEU 28 -10.675 15.314 -1.166 117 HG LEU 28 HG LEU 28 -13.159 14.488 -2.599 118 HD11 LEU 28 1HD1 LEU 28 -11.635 12.636 -2.340 119 HD12 LEU 28 2HD1 LEU 28 -12.981 12.444 -1.217 120 HD13 LEU 28 3HD1 LEU 28 -11.418 13.018 -0.636 121 HD21 LEU 28 1HD2 LEU 28 -14.142 14.305 -0.343 122 HD22 LEU 28 2HD2 LEU 28 -13.738 15.965 -0.790 123 HD23 LEU 28 3HD2 LEU 28 -12.700 15.070 0.323 124 H ILE 29 H ILE 29 -9.442 17.631 -1.454 125 HA ILE 29 HA ILE 29 -10.128 18.409 1.148 126 HB ILE 29 HB ILE 29 -7.787 19.290 -0.599 127 HG12 ILE 29 2HG1 ILE 29 -7.996 17.130 1.497 128 HG13 ILE 29 1HG1 ILE 29 -7.987 16.861 -0.238 129 HG21 ILE 29 1HG2 ILE 29 -6.629 19.872 1.472 130 HG22 ILE 29 2HG2 ILE 29 -8.047 19.435 2.407 131 HG23 ILE 29 3HG2 ILE 29 -8.107 20.827 1.317 132 HD11 ILE 29 1HD1 ILE 29 -5.852 16.343 0.717 133 HD12 ILE 29 2HD1 ILE 29 -5.736 17.952 1.434 134 HD13 ILE 29 3HD1 ILE 29 -5.692 17.760 -0.326 135 H GLN 30 H GLN 30 -10.219 20.099 -1.894 136 HA GLN 30 HA GLN 30 -10.678 22.690 -0.736 137 HB2 GLN 30 2HB GLN 30 -9.536 22.501 -2.884 138 HB3 GLN 30 1HB GLN 30 -10.944 21.715 -3.582 139 HG2 GLN 30 2HG GLN 30 -12.248 23.777 -3.174 140 HG3 GLN 30 1HG GLN 30 -10.777 24.553 -2.594 141 HE21 GLN 30 1HE2 GLN 30 -12.502 25.201 -4.830 142 HE22 GLN 30 2HE2 GLN 30 -11.474 25.198 -6.231 143 H GLU 31 H GLU 31 -12.660 20.246 -2.399 144 HA GLU 31 HA GLU 31 -15.019 21.616 -2.740 145 HB2 GLU 31 2HB GLU 31 -14.622 18.696 -2.201 146 HB3 GLU 31 1HB GLU 31 -16.181 19.428 -2.566 147 HG2 GLU 31 2HG GLU 31 -13.772 19.533 -4.355 148 HG3 GLU 31 1HG GLU 31 -15.118 18.409 -4.540 149 H LEU 32 H LEU 32 -14.381 19.575 0.205 150 HA LEU 32 HA LEU 32 -16.672 20.993 1.351 151 HB2 LEU 32 2HB LEU 32 -15.038 18.733 2.448 152 HB3 LEU 32 1HB LEU 32 -16.450 19.423 3.213 153 HG LEU 32 HG LEU 32 -16.362 17.871 0.641 154 HD11 LEU 32 1HD1 LEU 32 -17.394 17.247 3.396 155 HD12 LEU 32 2HD1 LEU 32 -16.024 16.489 2.576 156 HD13 LEU 32 3HD1 LEU 32 -17.661 16.242 1.979 157 HD21 LEU 32 1HD2 LEU 32 -18.819 17.991 0.722 158 HD22 LEU 32 2HD2 LEU 32 -18.102 19.589 0.538 159 HD23 LEU 32 3HD2 LEU 32 -18.718 19.074 2.111 160 H ASN 33 H ASN 33 -13.638 21.815 0.987 161 HA ASN 33 HA ASN 33 -11.952 22.833 2.091 162 HB2 ASN 33 2HB ASN 33 -13.739 24.609 2.263 163 HB3 ASN 33 1HB ASN 33 -14.173 23.966 3.840 164 HD21 ASN 33 1HD2 ASN 33 -12.732 24.256 5.549 165 HD22 ASN 33 2HD2 ASN 33 -11.492 25.479 5.519 166 H LEU 34 H LEU 34 -11.242 20.822 2.748 167 HA LEU 34 HA LEU 34 -11.792 20.049 5.537 168 HB2 LEU 34 2HB LEU 34 -10.713 18.345 3.266 169 HB3 LEU 34 1HB LEU 34 -11.152 17.786 4.859 170 HG LEU 34 HG LEU 34 -13.091 18.976 2.912 171 HD11 LEU 34 1HD1 LEU 34 -13.870 16.679 2.463 172 HD12 LEU 34 2HD1 LEU 34 -12.640 16.057 3.551 173 HD13 LEU 34 3HD1 LEU 34 -12.166 16.849 2.048 174 HD21 LEU 34 1HD2 LEU 34 -13.836 19.168 5.196 175 HD22 LEU 34 2HD2 LEU 34 -13.516 17.457 5.473 176 HD23 LEU 34 3HD2 LEU 34 -14.794 17.941 4.369 177 H THR 35 H THR 35 -10.031 19.546 6.845 178 HA THR 35 HA THR 35 -7.492 20.661 5.980 179 HB THR 35 HB THR 35 -6.779 20.137 8.357 180 HG1 THR 35 1HG THR 35 -9.410 19.752 9.124 181 HG21 THR 35 1HG2 THR 35 -7.681 22.349 7.798 182 HG22 THR 35 2HG2 THR 35 -8.177 21.865 9.420 183 HG23 THR 35 3HG2 THR 35 -9.317 21.758 8.080 184 HA PRO 36 HA PRO 36 -5.776 16.712 4.853 185 HB2 PRO 36 2HB PRO 36 -3.284 17.169 6.374 186 HB3 PRO 36 1HB PRO 36 -3.509 17.039 4.618 187 HG2 PRO 36 2HG PRO 36 -2.924 19.374 5.731 188 HG3 PRO 36 1HG PRO 36 -4.041 19.252 4.356 189 HD2 PRO 36 2HD PRO 36 -4.680 19.609 7.258 190 HD3 PRO 36 1HD PRO 36 -5.386 20.412 5.837 191 H GLN 37 H GLN 37 -6.258 17.345 8.111 192 HA GLN 37 HA GLN 37 -5.643 14.588 8.842 193 HB2 GLN 37 2HB GLN 37 -4.894 16.320 10.431 194 HB3 GLN 37 1HB GLN 37 -6.535 16.918 10.571 195 HG2 GLN 37 2HG GLN 37 -6.106 15.706 12.546 196 HG3 GLN 37 1HG GLN 37 -7.153 14.693 11.572 197 HE21 GLN 37 1HE2 GLN 37 -4.878 13.656 9.853 198 HE22 GLN 37 2HE2 GLN 37 -4.021 12.624 10.915 199 H GLN 38 H GLN 38 -8.199 16.783 8.195 200 HA GLN 38 HA GLN 38 -10.351 15.121 9.079 201 HB2 GLN 38 2HB GLN 38 -10.510 17.559 9.088 202 HB3 GLN 38 1HB GLN 38 -10.155 17.593 7.373 203 HG2 GLN 38 2HG GLN 38 -12.177 16.638 6.828 204 HG3 GLN 38 1HG GLN 38 -12.602 16.332 8.527 205 HE21 GLN 38 1HE2 GLN 38 -14.452 17.666 8.420 206 HE22 GLN 38 2HE2 GLN 38 -14.325 19.384 8.305 207 H LEU 39 H LEU 39 -8.684 15.979 6.121 208 HA LEU 39 HA LEU 39 -10.137 13.884 4.754 209 HB2 LEU 39 2HB LEU 39 -10.059 16.259 3.789 210 HB3 LEU 39 1HB LEU 39 -8.354 15.993 3.515 211 HG LEU 39 HG LEU 39 -9.969 15.746 1.576 212 HD11 LEU 39 1HD1 LEU 39 -7.635 14.983 1.435 213 HD12 LEU 39 2HD1 LEU 39 -8.702 13.854 0.590 214 HD13 LEU 39 3HD1 LEU 39 -8.089 13.457 2.194 215 HD21 LEU 39 1HD2 LEU 39 -11.619 14.423 2.721 216 HD22 LEU 39 2HD2 LEU 39 -10.469 13.082 2.877 217 HD23 LEU 39 3HD2 LEU 39 -11.024 13.589 1.286 218 H HIS 40 H HIS 40 -9.112 12.335 5.675 219 HA HIS 40 HA HIS 40 -6.263 11.868 5.078 220 HB2 HIS 40 2HB HIS 40 -7.112 12.318 7.539 221 HB3 HIS 40 1HB HIS 40 -7.790 10.708 7.407 222 HD1 HIS 40 HD1 HIS 40 -5.992 8.642 7.559 223 HD2 HIS 40 HD2 HIS 40 -4.368 12.488 7.778 224 HE1 HIS 40 HE1 HIS 40 -3.853 8.357 8.525 225 H GLU 41 H GLU 41 -5.933 9.447 4.761 226 HA GLU 41 HA GLU 41 -7.720 8.343 2.961 227 HB2 GLU 41 2HB GLU 41 -5.585 7.058 4.661 228 HB3 GLU 41 1HB GLU 41 -6.441 6.180 3.415 229 HG2 GLU 41 2HG GLU 41 -4.796 8.649 2.943 230 HG3 GLU 41 1HG GLU 41 -4.237 6.995 2.706 231 H GLU 42 H GLU 42 -7.300 7.557 6.355 232 HA GLU 42 HA GLU 42 -9.416 5.649 6.538 233 HB2 GLU 42 2HB GLU 42 -7.718 7.069 8.575 234 HB3 GLU 42 1HB GLU 42 -8.822 5.819 9.041 235 HG2 GLU 42 2HG GLU 42 -6.637 4.891 8.965 236 HG3 GLU 42 1HG GLU 42 -7.495 4.255 7.566 237 H SER 43 H SER 43 -9.925 8.755 5.992 238 HA SER 43 HA SER 43 -11.745 9.232 8.210 239 HB2 SER 43 2HB SER 43 -10.266 11.070 7.479 240 HB3 SER 43 1HB SER 43 -11.020 11.028 5.888 241 HG SER 43 HG SER 43 -11.874 12.632 7.268 242 H ASN 44 H ASN 44 -13.914 9.386 7.999 243 HA ASN 44 HA ASN 44 -15.047 7.994 5.728 244 HB2 ASN 44 2HB ASN 44 -15.750 7.310 8.009 245 HB3 ASN 44 1HB ASN 44 -16.406 8.915 8.284 246 HD21 ASN 44 1HD2 ASN 44 -17.608 6.200 8.242 247 HD22 ASN 44 2HD2 ASN 44 -18.952 6.300 7.151 248 H LEU 45 H LEU 45 -15.498 9.056 4.084 249 HA LEU 45 HA LEU 45 -15.733 11.859 3.985 250 HB2 LEU 45 2HB LEU 45 -16.013 9.715 1.949 251 HB3 LEU 45 1HB LEU 45 -16.341 11.395 1.563 252 HG LEU 45 HG LEU 45 -13.711 10.499 2.736 253 HD11 LEU 45 1HD1 LEU 45 -14.047 9.351 0.658 254 HD12 LEU 45 2HD1 LEU 45 -12.838 10.627 0.472 255 HD13 LEU 45 3HD1 LEU 45 -14.481 10.863 -0.147 256 HD21 LEU 45 1HD2 LEU 45 -14.618 13.023 1.312 257 HD22 LEU 45 2HD2 LEU 45 -12.977 12.676 1.795 258 HD23 LEU 45 3HD2 LEU 45 -14.220 12.879 3.017 259 H ILE 46 H ILE 46 -18.201 9.462 4.326 260 HA ILE 46 HA ILE 46 -20.243 11.273 3.402 261 HB ILE 46 HB ILE 46 -20.451 8.616 4.866 262 HG12 ILE 46 2HG1 ILE 46 -19.689 8.428 2.547 263 HG13 ILE 46 1HG1 ILE 46 -21.298 7.739 2.726 264 HG21 ILE 46 1HG2 ILE 46 -22.866 8.640 4.427 265 HG22 ILE 46 2HG2 ILE 46 -22.728 10.280 3.795 266 HG23 ILE 46 3HG2 ILE 46 -22.378 9.959 5.493 267 HD11 ILE 46 1HD1 ILE 46 -22.234 9.795 1.750 268 HD12 ILE 46 2HD1 ILE 46 -21.126 8.957 0.669 269 HD13 ILE 46 3HD1 ILE 46 -20.590 10.407 1.524 270 H GLN 47 H GLN 47 -18.718 10.402 6.382 271 HA GLN 47 HA GLN 47 -20.487 11.975 8.018 272 HB2 GLN 47 2HB GLN 47 -17.786 10.752 8.602 273 HB3 GLN 47 1HB GLN 47 -18.729 11.638 9.789 274 HG2 GLN 47 2HG GLN 47 -20.533 9.993 9.578 275 HG3 GLN 47 1HG GLN 47 -19.570 9.114 8.391 276 HE21 GLN 47 1HE2 GLN 47 -19.596 7.276 9.692 277 HE22 GLN 47 2HE2 GLN 47 -18.619 7.176 11.127 278 H ALA 48 H ALA 48 -17.636 12.491 6.175 279 HA ALA 48 HA ALA 48 -16.919 15.011 7.272 280 HB1 ALA 48 1HB ALA 48 -16.375 13.921 4.503 281 HB2 ALA 48 2HB ALA 48 -15.350 13.675 5.917 282 HB3 ALA 48 3HB ALA 48 -15.560 15.295 5.250 283 H GLY 49 H GLY 49 -19.293 13.922 5.037 284 HA2 GLY 49 2HA GLY 49 -21.275 15.178 4.754 285 HA3 GLY 49 1HA GLY 49 -20.339 16.649 4.956 286 H LEU 50 H LEU 50 -19.487 13.987 2.769 287 HA LEU 50 HA LEU 50 -19.331 15.729 0.494 288 HB2 LEU 50 2HB LEU 50 -19.398 12.753 0.688 289 HB3 LEU 50 1HB LEU 50 -19.390 13.604 -0.837 290 HG LEU 50 HG LEU 50 -17.198 13.650 1.247 291 HD11 LEU 50 1HD1 LEU 50 -17.445 11.618 -0.103 292 HD12 LEU 50 2HD1 LEU 50 -15.964 12.520 -0.496 293 HD13 LEU 50 3HD1 LEU 50 -17.387 12.630 -1.547 294 HD21 LEU 50 1HD2 LEU 50 -17.208 14.939 -1.487 295 HD22 LEU 50 2HD2 LEU 50 -15.954 15.051 -0.232 296 HD23 LEU 50 3HD2 LEU 50 -17.480 15.846 -0.001 297 H ASP 51 H ASP 51 -20.777 16.793 -0.186 298 HA ASP 51 HA ASP 51 -23.466 16.292 -0.433 299 HB2 ASP 51 2HB ASP 51 -22.921 18.454 -1.047 300 HB3 ASP 51 1HB ASP 51 -21.473 17.956 -1.901 301 H SER 52 H SER 52 -24.704 15.256 -1.951 302 HA SER 52 HA SER 52 -23.453 12.939 -2.945 303 HB2 SER 52 2HB SER 52 -26.279 13.851 -3.441 304 HB3 SER 52 1HB SER 52 -25.564 12.235 -3.659 305 HG SER 52 HG SER 52 -25.022 13.107 -1.202 306 H ILE 53 H ILE 53 -24.156 16.061 -4.370 307 HA ILE 53 HA ILE 53 -23.886 15.003 -6.987 308 HB ILE 53 HB ILE 53 -23.384 17.874 -6.141 309 HG12 ILE 53 2HG1 ILE 53 -25.702 17.226 -5.664 310 HG13 ILE 53 1HG1 ILE 53 -25.661 18.315 -7.044 311 HG21 ILE 53 1HG2 ILE 53 -22.293 17.311 -8.265 312 HG22 ILE 53 2HG2 ILE 53 -23.669 18.366 -8.599 313 HG23 ILE 53 3HG2 ILE 53 -23.770 16.627 -8.885 314 HD11 ILE 53 1HD1 ILE 53 -26.003 15.315 -7.144 315 HD12 ILE 53 2HD1 ILE 53 -25.919 16.378 -8.547 316 HD13 ILE 53 3HD1 ILE 53 -27.257 16.527 -7.407 317 H ARG 54 H ARG 54 -21.615 16.341 -4.592 318 HA ARG 54 HA ARG 54 -19.321 16.190 -6.232 319 HB2 ARG 54 2HB ARG 54 -19.760 16.103 -3.285 320 HB3 ARG 54 1HB ARG 54 -18.206 15.551 -3.863 321 HG2 ARG 54 2HG ARG 54 -18.145 17.884 -3.188 322 HG3 ARG 54 1HG ARG 54 -17.828 17.719 -4.915 323 HD2 ARG 54 2HD ARG 54 -20.110 18.328 -5.406 324 HD3 ARG 54 1HD ARG 54 -20.474 18.424 -3.687 325 HE ARG 54 HE ARG 54 -18.308 20.087 -4.556 326 HH11 ARG 54 1HH1 ARG 54 -21.820 19.845 -4.134 327 HH12 ARG 54 2HH1 ARG 54 -22.073 21.512 -3.967 328 HH21 ARG 54 1HH2 ARG 54 -18.557 22.265 -4.339 329 HH22 ARG 54 2HH2 ARG 54 -20.077 23.024 -4.079 330 H LEU 55 H LEU 55 -20.916 13.874 -4.226 331 HA LEU 55 HA LEU 55 -19.191 11.710 -4.427 332 HB2 LEU 55 2HB LEU 55 -21.479 12.134 -3.056 333 HB3 LEU 55 1HB LEU 55 -22.151 11.383 -4.451 334 HG LEU 55 HG LEU 55 -21.040 9.307 -4.064 335 HD11 LEU 55 1HD1 LEU 55 -18.897 10.136 -3.254 336 HD12 LEU 55 2HD1 LEU 55 -19.583 9.000 -2.091 337 HD13 LEU 55 3HD1 LEU 55 -19.661 10.736 -1.791 338 HD21 LEU 55 1HD2 LEU 55 -22.133 10.407 -1.487 339 HD22 LEU 55 2HD2 LEU 55 -21.979 8.701 -1.905 340 HD23 LEU 55 3HD2 LEU 55 -23.092 9.731 -2.805 341 H MET 56 H MET 56 -21.883 12.702 -6.507 342 HA MET 56 HA MET 56 -21.420 10.506 -8.316 343 HB2 MET 56 2HB MET 56 -23.453 12.726 -8.424 344 HB3 MET 56 1HB MET 56 -23.376 11.374 -9.556 345 HG2 MET 56 2HG MET 56 -23.654 9.815 -7.717 346 HG3 MET 56 1HG MET 56 -23.743 11.159 -6.592 347 HE1 MET 56 HE1 MET 56 -25.897 10.282 -5.567 348 HE2 MET 56 HE2 MET 56 -25.655 8.895 -6.602 349 HE3 MET 56 HE3 MET 56 -27.263 9.650 -6.501 350 H ARG 57 H ARG 57 -20.413 13.749 -8.076 351 HA ARG 57 HA ARG 57 -19.877 13.983 -10.780 352 HB2 ARG 57 2HB ARG 57 -18.817 15.570 -8.466 353 HB3 ARG 57 1HB ARG 57 -18.237 15.850 -10.100 354 HG2 ARG 57 2HG ARG 57 -21.077 16.058 -9.160 355 HG3 ARG 57 1HG ARG 57 -20.015 17.431 -9.496 356 HD2 ARG 57 2HD ARG 57 -21.489 17.171 -11.387 357 HD3 ARG 57 1HD ARG 57 -19.905 16.588 -11.892 358 HE ARG 57 HE ARG 57 -21.659 14.564 -10.856 359 HH11 ARG 57 1HH1 ARG 57 -20.767 16.281 -13.822 360 HH12 ARG 57 2HH1 ARG 57 -21.172 15.014 -14.879 361 HH21 ARG 57 1HH2 ARG 57 -22.191 12.775 -12.292 362 HH22 ARG 57 2HH2 ARG 57 -22.031 12.947 -13.974 363 H TRP 58 H TRP 58 -18.157 12.886 -7.943 364 HA TRP 58 HA TRP 58 -15.658 12.459 -9.084 365 HB2 TRP 58 2HB TRP 58 -17.010 11.136 -6.746 366 HB3 TRP 58 1HB TRP 58 -15.375 10.738 -7.238 367 HD1 TRP 58 HD1 TRP 58 -16.612 12.315 -4.473 368 HE1 TRP 58 HE1 TRP 58 -15.296 14.303 -3.678 369 HE3 TRP 58 HE3 TRP 58 -14.097 13.438 -8.846 370 HZ2 TRP 58 HZ2 TRP 58 -13.348 16.188 -4.788 371 HZ3 TRP 58 HZ3 TRP 58 -12.596 15.333 -8.848 372 HH2 TRP 58 HH2 TRP 58 -12.251 16.675 -6.868 373 H LEU 59 H LEU 59 -18.503 10.444 -8.973 374 HA LEU 59 HA LEU 59 -17.436 8.079 -9.966 375 HB2 LEU 59 2HB LEU 59 -19.740 8.291 -9.111 376 HB3 LEU 59 1HB LEU 59 -20.166 9.232 -10.526 377 HG LEU 59 HG LEU 59 -19.721 7.295 -11.946 378 HD11 LEU 59 1HD1 LEU 59 -19.317 5.821 -9.340 379 HD12 LEU 59 2HD1 LEU 59 -18.110 6.096 -10.595 380 HD13 LEU 59 3HD1 LEU 59 -19.496 5.061 -10.919 381 HD21 LEU 59 1HD2 LEU 59 -21.712 6.000 -11.284 382 HD22 LEU 59 2HD2 LEU 59 -21.982 7.741 -11.225 383 HD23 LEU 59 3HD2 LEU 59 -21.723 6.841 -9.732 384 H HIS 60 H HIS 60 -18.421 10.966 -11.592 385 HA HIS 60 HA HIS 60 -18.134 9.981 -14.286 386 HB2 HIS 60 2HB HIS 60 -19.670 11.853 -13.602 387 HB3 HIS 60 1HB HIS 60 -18.254 12.828 -13.252 388 HD1 HIS 60 HD1 HIS 60 -16.837 13.631 -15.410 389 HD2 HIS 60 HD2 HIS 60 -20.449 11.737 -16.197 390 HE1 HIS 60 HE1 HIS 60 -17.430 14.203 -17.785 391 H TRP 61 H TRP 61 -16.290 11.811 -11.948 392 HA TRP 61 HA TRP 61 -14.161 12.699 -13.498 393 HB2 TRP 61 2HB TRP 61 -14.706 13.521 -11.225 394 HB3 TRP 61 1HB TRP 61 -14.202 11.972 -10.566 395 HD1 TRP 61 HD1 TRP 61 -12.846 15.291 -11.750 396 HE1 TRP 61 HE1 TRP 61 -10.314 15.385 -11.297 397 HE3 TRP 61 HE3 TRP 61 -12.071 10.429 -10.426 398 HZ2 TRP 61 HZ2 TRP 61 -8.294 13.653 -10.498 399 HZ3 TRP 61 HZ3 TRP 61 -9.806 9.730 -9.828 400 HH2 TRP 61 HH2 TRP 61 -7.960 11.309 -9.867 401 H PHE 62 H PHE 62 -14.636 9.619 -11.826 402 HA PHE 62 HA PHE 62 -12.025 8.563 -12.280 403 HB2 PHE 62 2HB PHE 62 -14.628 7.001 -12.239 404 HB3 PHE 62 1HB PHE 62 -13.020 6.331 -12.020 405 HD1 PHE 62 HD1 PHE 62 -11.721 7.740 -10.094 406 HD2 PHE 62 HD2 PHE 62 -15.868 7.034 -10.389 407 HE1 PHE 62 HE1 PHE 62 -11.951 8.093 -7.646 408 HE2 PHE 62 HE2 PHE 62 -16.131 7.375 -7.957 409 HZ PHE 62 HZ PHE 62 -14.155 7.911 -6.586 410 H ARG 63 H ARG 63 -15.001 8.283 -14.025 411 HA ARG 63 HA ARG 63 -13.970 6.578 -15.980 412 HB2 ARG 63 2HB ARG 63 -16.614 8.032 -15.900 413 HB3 ARG 63 1HB ARG 63 -16.191 6.720 -17.016 414 HG2 ARG 63 2HG ARG 63 -15.836 5.229 -15.131 415 HG3 ARG 63 1HG ARG 63 -16.260 6.526 -14.023 416 HD2 ARG 63 2HD ARG 63 -18.510 6.603 -14.996 417 HD3 ARG 63 1HD ARG 63 -18.072 5.287 -16.092 418 HE ARG 63 HE ARG 63 -17.741 4.840 -13.247 419 HH11 ARG 63 1HH1 ARG 63 -19.765 4.278 -16.085 420 HH12 ARG 63 2HH1 ARG 63 -20.560 2.906 -15.468 421 HH21 ARG 63 1HH2 ARG 63 -18.789 2.927 -12.357 422 HH22 ARG 63 2HH2 ARG 63 -19.969 2.098 -13.251 423 H LYS 64 H LYS 64 -13.698 9.911 -15.748 424 HA LYS 64 HA LYS 64 -13.649 10.847 -18.383 425 HB2 LYS 64 2HB LYS 64 -12.254 12.629 -17.641 426 HB3 LYS 64 1HB LYS 64 -13.233 12.201 -16.246 427 HG2 LYS 64 2HG LYS 64 -11.357 10.879 -15.364 428 HG3 LYS 64 1HG LYS 64 -10.385 11.363 -16.745 429 HD2 LYS 64 2HD LYS 64 -10.663 13.727 -16.016 430 HD3 LYS 64 1HD LYS 64 -11.489 13.131 -14.570 431 HE2 LYS 64 2HE LYS 64 -8.718 12.420 -15.445 432 HE3 LYS 64 1HE LYS 64 -9.099 13.561 -14.146 433 HZ1 LYS 64 1HZ LYS 64 -8.494 11.374 -13.233 434 HZ2 LYS 64 2HZ LYS 64 -9.591 10.608 -14.179 435 HZ3 LYS 64 3HZ LYS 64 -10.143 11.605 -12.944 436 H ASN 65 H ASN 65 -11.309 8.852 -16.693 437 HA ASN 65 HA ASN 65 -9.521 8.851 -19.054 438 HB2 ASN 65 2HB ASN 65 -8.951 8.007 -16.198 439 HB3 ASN 65 1HB ASN 65 -7.825 7.836 -17.527 440 HD21 ASN 65 1HD2 ASN 65 -7.528 9.231 -15.014 441 HD22 ASN 65 2HD2 ASN 65 -7.146 10.842 -15.419 442 H GLY 66 H GLY 66 -12.074 7.315 -18.329 443 HA2 GLY 66 2HA GLY 66 -12.836 5.209 -18.839 444 HA3 GLY 66 1HA GLY 66 -11.193 4.772 -19.292 445 H TYR 67 H TYR 67 -11.751 6.127 -16.153 446 HA TYR 67 HA TYR 67 -10.826 3.712 -14.998 447 HB2 TYR 67 2HB TYR 67 -11.549 6.343 -13.808 448 HB3 TYR 67 1HB TYR 67 -11.414 4.930 -12.763 449 HD1 TYR 67 HD1 TYR 67 -9.404 5.803 -15.763 450 HD2 TYR 67 HD2 TYR 67 -9.539 5.334 -11.573 451 HE1 TYR 67 HE1 TYR 67 -6.964 6.032 -15.696 452 HE2 TYR 67 HE2 TYR 67 -7.080 5.538 -11.455 453 HH TYR 67 HH TYR 67 -5.236 6.695 -14.037 454 H ARG 68 H ARG 68 -11.931 2.881 -12.977 455 HA ARG 68 HA ARG 68 -14.615 2.155 -13.930 456 HB2 ARG 68 2HB ARG 68 -12.276 0.288 -13.525 457 HB3 ARG 68 1HB ARG 68 -13.936 -0.269 -13.605 458 HG2 ARG 68 2HG ARG 68 -13.944 -0.201 -15.850 459 HG3 ARG 68 1HG ARG 68 -13.228 1.407 -15.878 460 HD2 ARG 68 2HD ARG 68 -11.561 -1.045 -15.314 461 HD3 ARG 68 1HD ARG 68 -11.903 -0.529 -16.963 462 HE ARG 68 HE ARG 68 -10.974 1.696 -15.675 463 HH11 ARG 68 1HH1 ARG 68 -9.507 -1.515 -16.442 464 HH12 ARG 68 2HH1 ARG 68 -7.944 -0.846 -16.587 465 HH21 ARG 68 1HH2 ARG 68 -8.711 2.474 -15.853 466 HH22 ARG 68 2HH2 ARG 68 -7.492 1.331 -16.185 467 H LEU 69 H LEU 69 -15.602 2.975 -12.129 468 HA LEU 69 HA LEU 69 -15.283 1.332 -9.748 469 HB2 LEU 69 2HB LEU 69 -15.041 4.324 -9.755 470 HB3 LEU 69 1HB LEU 69 -15.648 3.479 -8.350 471 HG LEU 69 HG LEU 69 -12.905 3.080 -9.563 472 HD11 LEU 69 1HD1 LEU 69 -13.171 5.257 -8.478 473 HD12 LEU 69 2HD1 LEU 69 -12.129 4.192 -7.530 474 HD13 LEU 69 3HD1 LEU 69 -13.804 4.461 -7.040 475 HD21 LEU 69 1HD2 LEU 69 -12.492 1.804 -7.525 476 HD22 LEU 69 2HD2 LEU 69 -13.757 1.073 -8.506 477 HD23 LEU 69 3HD2 LEU 69 -14.183 2.000 -7.066 478 H THR 70 H THR 70 -17.121 1.160 -8.454 479 HA THR 70 HA THR 70 -19.537 2.223 -9.683 480 HB THR 70 HB THR 70 -19.472 0.352 -7.394 481 HG1 THR 70 1HG THR 70 -18.272 -0.923 -8.581 482 HG21 THR 70 1HG2 THR 70 -21.614 1.160 -8.219 483 HG22 THR 70 2HG2 THR 70 -21.480 -0.573 -8.510 484 HG23 THR 70 3HG2 THR 70 -21.242 0.563 -9.837 485 H LEU 71 H LEU 71 -20.802 3.497 -8.382 486 HA LEU 71 HA LEU 71 -19.396 4.917 -6.303 487 HB2 LEU 71 2HB LEU 71 -20.973 5.928 -8.013 488 HB3 LEU 71 1HB LEU 71 -22.207 5.155 -7.025 489 HG LEU 71 HG LEU 71 -21.710 6.511 -5.131 490 HD11 LEU 71 1HD1 LEU 71 -19.426 6.771 -5.294 491 HD12 LEU 71 2HD1 LEU 71 -20.088 8.424 -5.526 492 HD13 LEU 71 3HD1 LEU 71 -19.573 7.431 -6.909 493 HD21 LEU 71 1HD2 LEU 71 -23.298 7.390 -6.765 494 HD22 LEU 71 2HD2 LEU 71 -21.968 8.167 -7.628 495 HD23 LEU 71 3HD2 LEU 71 -22.380 8.684 -5.993 496 H ARG 72 H ARG 72 -21.786 2.445 -6.492 497 HA ARG 72 HA ARG 72 -22.949 2.820 -3.930 498 HB2 ARG 72 2HB ARG 72 -22.841 0.339 -5.647 499 HB3 ARG 72 1HB ARG 72 -23.845 0.526 -4.217 500 HG2 ARG 72 2HG ARG 72 -24.036 2.063 -6.801 501 HG3 ARG 72 1HG ARG 72 -25.137 0.803 -6.240 502 HD2 ARG 72 2HD ARG 72 -25.674 2.165 -4.308 503 HD3 ARG 72 1HD ARG 72 -24.603 3.429 -4.920 504 HE ARG 72 HE ARG 72 -26.774 2.552 -6.654 505 HH11 ARG 72 1HH1 ARG 72 -25.599 5.090 -4.463 506 HH12 ARG 72 2HH1 ARG 72 -26.674 6.284 -4.966 507 HH21 ARG 72 1HH2 ARG 72 -28.327 4.217 -7.383 508 HH22 ARG 72 2HH2 ARG 72 -28.292 5.761 -6.685 509 H GLU 73 H GLU 73 -19.992 1.672 -4.939 510 HA GLU 73 HA GLU 73 -19.489 -0.041 -2.632 511 HB2 GLU 73 2HB GLU 73 -17.613 0.964 -4.783 512 HB3 GLU 73 1HB GLU 73 -17.209 -0.233 -3.558 513 HG2 GLU 73 2HG GLU 73 -18.884 -1.710 -4.424 514 HG3 GLU 73 1HG GLU 73 -19.318 -0.518 -5.665 515 H LEU 74 H LEU 74 -19.052 3.179 -3.675 516 HA LEU 74 HA LEU 74 -17.073 3.894 -1.725 517 HB2 LEU 74 2HB LEU 74 -18.742 5.705 -3.478 518 HB3 LEU 74 1HB LEU 74 -17.248 6.121 -2.664 519 HG LEU 74 HG LEU 74 -17.579 4.266 -5.029 520 HD11 LEU 74 1HD1 LEU 74 -16.113 6.861 -4.724 521 HD12 LEU 74 2HD1 LEU 74 -17.563 6.567 -5.689 522 HD13 LEU 74 3HD1 LEU 74 -16.040 5.811 -6.129 523 HD21 LEU 74 1HD2 LEU 74 -15.941 3.286 -3.542 524 HD22 LEU 74 2HD2 LEU 74 -15.078 4.822 -3.446 525 HD23 LEU 74 3HD2 LEU 74 -15.151 3.945 -4.975 526 H TYR 75 H TYR 75 -20.462 3.674 -1.854 527 HA TYR 75 HA TYR 75 -20.956 5.289 0.518 528 HB2 TYR 75 2HB TYR 75 -22.693 3.280 -0.927 529 HB3 TYR 75 1HB TYR 75 -23.179 4.107 0.538 530 HD1 TYR 75 HD1 TYR 75 -22.514 4.462 -3.036 531 HD2 TYR 75 HD2 TYR 75 -24.015 6.330 0.456 532 HE1 TYR 75 HE1 TYR 75 -23.647 6.127 -4.429 533 HE2 TYR 75 HE2 TYR 75 -25.129 8.029 -0.914 534 HH TYR 75 HH TYR 75 -24.993 8.958 -3.160 535 H ALA 76 H ALA 76 -20.530 1.907 -0.376 536 HA ALA 76 HA ALA 76 -21.298 0.692 2.032 537 HB1 ALA 76 1HB ALA 76 -21.072 -0.536 -0.083 538 HB2 ALA 76 2HB ALA 76 -20.123 -1.287 1.200 539 HB3 ALA 76 3HB ALA 76 -19.326 -0.304 -0.028 540 H ALA 77 H ALA 77 -18.101 1.585 0.824 541 HA ALA 77 HA ALA 77 -17.290 1.758 3.622 542 HB1 ALA 77 1HB ALA 77 -15.533 0.919 1.303 543 HB2 ALA 77 2HB ALA 77 -16.110 -0.139 2.595 544 HB3 ALA 77 3HB ALA 77 -14.998 1.184 2.961 545 HA PRO 78 HA PRO 78 -16.881 5.718 1.574 546 HB2 PRO 78 2HB PRO 78 -18.028 7.236 3.515 547 HB3 PRO 78 1HB PRO 78 -18.961 6.392 2.260 548 HG2 PRO 78 2HG PRO 78 -18.778 5.803 5.101 549 HG3 PRO 78 1HG PRO 78 -19.963 5.251 3.906 550 HD2 PRO 78 2HD PRO 78 -17.714 3.806 4.958 551 HD3 PRO 78 1HD PRO 78 -18.934 3.258 3.792 552 H THR 79 H THR 79 -14.675 5.393 1.910 553 HA THR 79 HA THR 79 -13.563 7.284 3.769 554 HB THR 79 HB THR 79 -11.671 5.525 4.154 555 HG1 THR 79 1HG THR 79 -13.876 3.910 3.458 556 HG21 THR 79 1HG2 THR 79 -14.291 5.187 5.598 557 HG22 THR 79 2HG2 THR 79 -13.107 6.456 5.908 558 HG23 THR 79 3HG2 THR 79 -12.686 4.763 6.232 559 H LEU 80 H LEU 80 -11.757 8.151 2.934 560 HA LEU 80 HA LEU 80 -11.469 8.362 0.202 561 HB2 LEU 80 2HB LEU 80 -10.779 9.873 1.849 562 HB3 LEU 80 1HB LEU 80 -9.537 8.769 2.412 563 HG LEU 80 HG LEU 80 -8.390 9.040 0.206 564 HD11 LEU 80 1HD1 LEU 80 -9.104 10.887 -1.227 565 HD12 LEU 80 2HD1 LEU 80 -10.521 11.133 -0.203 566 HD13 LEU 80 3HD1 LEU 80 -10.344 9.641 -1.128 567 HD21 LEU 80 1HD2 LEU 80 -7.612 11.284 0.641 568 HD22 LEU 80 2HD2 LEU 80 -7.800 10.347 2.140 569 HD23 LEU 80 3HD2 LEU 80 -9.027 11.535 1.672 570 H ALA 81 H ALA 81 -9.611 6.468 2.514 571 HA ALA 81 HA ALA 81 -7.713 5.215 0.927 572 HB1 ALA 81 1HB ALA 81 -9.149 3.854 3.186 573 HB2 ALA 81 2HB ALA 81 -7.967 5.101 3.448 574 HB3 ALA 81 3HB ALA 81 -7.485 3.588 2.657 575 H ALA 82 H ALA 82 -11.071 4.308 1.490 576 HA ALA 82 HA ALA 82 -10.846 1.775 0.258 577 HB1 ALA 82 1HB ALA 82 -13.268 1.666 0.366 578 HB2 ALA 82 2HB ALA 82 -13.338 3.379 0.779 579 HB3 ALA 82 3HB ALA 82 -12.598 2.232 1.897 580 H TRP 83 H TRP 83 -12.062 4.920 -0.887 581 HA TRP 83 HA TRP 83 -12.903 3.976 -3.441 582 HB2 TRP 83 2HB TRP 83 -11.743 6.769 -3.019 583 HB3 TRP 83 1HB TRP 83 -12.876 6.225 -4.237 584 HD1 TRP 83 HD1 TRP 83 -13.871 5.387 -0.667 585 HE1 TRP 83 HE1 TRP 83 -15.857 6.901 -0.055 586 HE3 TRP 83 HE3 TRP 83 -13.696 8.560 -4.630 587 HZ2 TRP 83 HZ2 TRP 83 -17.138 9.180 -1.096 588 HZ3 TRP 83 HZ3 TRP 83 -15.307 10.397 -4.745 589 HH2 TRP 83 HH2 TRP 83 -16.986 10.703 -3.017 590 H ASN 84 H ASN 84 -9.904 5.224 -2.181 591 HA ASN 84 HA ASN 84 -8.292 5.250 -4.446 592 HB2 ASN 84 2HB ASN 84 -7.568 6.341 -2.428 593 HB3 ASN 84 1HB ASN 84 -7.670 4.851 -1.511 594 HD21 ASN 84 1HD2 ASN 84 -5.524 5.335 -0.787 595 HD22 ASN 84 2HD2 ASN 84 -4.176 4.940 -1.787 596 H GLN 85 H GLN 85 -8.578 2.626 -2.014 597 HA GLN 85 HA GLN 85 -6.988 0.855 -3.641 598 HB2 GLN 85 2HB GLN 85 -8.639 0.266 -1.186 599 HB3 GLN 85 1HB GLN 85 -7.580 -0.890 -1.982 600 HG2 GLN 85 2HG GLN 85 -6.768 1.683 -0.654 601 HG3 GLN 85 1HG GLN 85 -6.471 0.053 -0.059 602 HE21 GLN 85 1HE2 GLN 85 -5.503 2.476 -2.350 603 HE22 GLN 85 2HE2 GLN 85 -4.072 1.697 -2.905 604 H LEU 86 H LEU 86 -10.396 1.466 -3.435 605 HA LEU 86 HA LEU 86 -11.146 -0.836 -4.819 606 HB2 LEU 86 2HB LEU 86 -12.477 1.825 -4.524 607 HB3 LEU 86 1HB LEU 86 -13.153 0.576 -5.552 608 HG LEU 86 HG LEU 86 -12.637 0.266 -2.586 609 HD11 LEU 86 1HD1 LEU 86 -15.176 0.657 -4.118 610 HD12 LEU 86 2HD1 LEU 86 -14.392 1.853 -3.066 611 HD13 LEU 86 3HD1 LEU 86 -15.048 0.356 -2.382 612 HD21 LEU 86 1HD2 LEU 86 -13.987 -1.765 -2.817 613 HD22 LEU 86 2HD2 LEU 86 -12.522 -1.874 -3.786 614 HD23 LEU 86 3HD2 LEU 86 -14.074 -1.518 -4.556 615 H MET 87 H MET 87 -9.802 2.213 -5.912 616 HA MET 87 HA MET 87 -10.226 1.842 -8.664 617 HB2 MET 87 2HB MET 87 -8.052 3.227 -7.159 618 HB3 MET 87 1HB MET 87 -7.857 2.936 -8.877 619 HG2 MET 87 2HG MET 87 -10.065 4.106 -9.189 620 HG3 MET 87 1HG MET 87 -9.929 4.590 -7.496 621 HE1 MET 87 HE1 MET 87 -10.109 6.453 -10.168 622 HE2 MET 87 HE2 MET 87 -9.022 7.796 -9.674 623 HE3 MET 87 HE3 MET 87 -10.157 7.129 -8.537 624 H LEU 88 H LEU 88 -7.703 0.588 -6.589 625 HA LEU 88 HA LEU 88 -6.448 -0.702 -8.810 626 HB2 LEU 88 2HB LEU 88 -5.963 -1.010 -5.861 627 HB3 LEU 88 1HB LEU 88 -4.993 -1.821 -7.088 628 HG LEU 88 HG LEU 88 -3.665 -0.058 -6.554 629 HD11 LEU 88 1HD1 LEU 88 -5.344 1.178 -8.690 630 HD12 LEU 88 2HD1 LEU 88 -4.016 0.045 -8.907 631 HD13 LEU 88 3HD1 LEU 88 -3.702 1.648 -8.240 632 HD21 LEU 88 1HD2 LEU 88 -4.423 2.181 -5.934 633 HD22 LEU 88 2HD2 LEU 88 -5.130 0.937 -4.911 634 HD23 LEU 88 3HD2 LEU 88 -6.095 1.680 -6.187 635 H SER 89 H SER 89 -9.091 -1.555 -6.894 636 HA SER 89 HA SER 89 -8.710 -4.341 -7.660 637 HB2 SER 89 2HB SER 89 -10.523 -4.755 -5.896 638 HB3 SER 89 1HB SER 89 -8.927 -4.266 -5.325 639 HG SER 89 HG SER 89 -9.673 -2.264 -4.900 640 H ARG 90 H ARG 90 -10.230 -1.690 -8.763 641 HA ARG 90 HA ARG 90 -12.266 -3.328 -10.140 642 HB2 ARG 90 2HB ARG 90 -12.562 -0.417 -9.411 643 HB3 ARG 90 1HB ARG 90 -13.725 -1.363 -10.317 644 HG2 ARG 90 2HG ARG 90 -12.952 -1.744 -7.440 645 HG3 ARG 90 1HG ARG 90 -14.456 -1.052 -8.045 646 HD2 ARG 90 2HD ARG 90 -15.019 -3.170 -9.088 647 HD3 ARG 90 1HD ARG 90 -13.499 -3.864 -8.516 648 HE ARG 90 HE ARG 90 -15.664 -2.899 -6.787 649 HH11 ARG 90 1HH1 ARG 90 -12.917 -5.069 -7.327 650 HH12 ARG 90 2HH1 ARG 90 -13.180 -5.971 -5.903 651 HH21 ARG 90 1HH2 ARG 90 -16.000 -3.960 -4.999 652 HH22 ARG 90 2HH2 ARG 90 -15.086 -5.314 -4.423 653 H SER 91 H SER 91 -9.834 -0.870 -10.341 654 HA SER 91 HA SER 91 -10.137 -0.866 -13.253 655 HB2 SER 91 2HB SER 91 -8.861 1.283 -11.536 656 HB3 SER 91 1HB SER 91 -9.155 1.347 -13.271 657 HG SER 91 HG SER 91 -11.301 0.938 -11.529 658 HA PRO 92 HA PRO 92 -5.947 -2.468 -12.301 659 HB2 PRO 92 2HB PRO 92 -6.420 -4.741 -14.004 660 HB3 PRO 92 1HB PRO 92 -6.210 -4.767 -12.242 661 HG2 PRO 92 2HG PRO 92 -8.547 -5.423 -13.504 662 HG3 PRO 92 1HG PRO 92 -8.428 -4.856 -11.826 663 HD2 PRO 92 2HD PRO 92 -9.178 -3.321 -14.273 664 HD3 PRO 92 1HD PRO 92 -9.841 -3.224 -12.624 665 H GLU 93 H GLU 93 -4.740 -1.247 -13.558 666 HA GLU 93 HA GLU 93 -3.888 -0.161 -15.237 667 HB2 GLU 93 2HB GLU 93 -4.469 -2.819 -16.526 668 HB3 GLU 93 1HB GLU 93 -3.698 -1.531 -17.441 669 HG2 GLU 93 2HG GLU 93 -2.130 -3.232 -16.389 670 HG3 GLU 93 1HG GLU 93 -1.772 -1.545 -16.053 Start of MODEL 10 1 H ASP 14 1H ASP 14 -0.587 9.623 -5.386 2 HA ASP 14 HA ASP 14 1.818 9.438 -3.757 3 HB2 ASP 14 2HB ASP 14 0.089 9.258 -1.912 4 HB3 ASP 14 1HB ASP 14 0.066 10.821 -2.717 5 H ASN 15 H ASN 15 -1.140 7.935 -4.896 6 HA ASN 15 HA ASN 15 -0.083 5.293 -4.466 7 HB2 ASN 15 2HB ASN 15 -2.278 4.728 -5.729 8 HB3 ASN 15 1HB ASN 15 -2.416 5.412 -4.114 9 HD21 ASN 15 1HD2 ASN 15 -4.486 6.179 -4.556 10 HD22 ASN 15 2HD2 ASN 15 -4.734 7.570 -5.558 11 H ARG 16 H ARG 16 -0.760 3.943 -6.865 12 HA ARG 16 HA ARG 16 1.079 5.367 -8.578 13 HB2 ARG 16 2HB ARG 16 2.143 3.302 -9.388 14 HB3 ARG 16 1HB ARG 16 2.359 3.591 -7.676 15 HG2 ARG 16 2HG ARG 16 0.283 1.843 -8.790 16 HG3 ARG 16 1HG ARG 16 1.908 1.237 -8.449 17 HD2 ARG 16 2HD ARG 16 1.551 1.760 -6.043 18 HD3 ARG 16 1HD ARG 16 -0.036 2.432 -6.447 19 HE ARG 16 HE ARG 16 -0.903 0.366 -6.634 20 HH11 ARG 16 1HH1 ARG 16 2.642 -0.069 -6.482 21 HH12 ARG 16 2HH1 ARG 16 2.497 -1.771 -6.572 22 HH21 ARG 16 1HH2 ARG 16 -0.993 -1.948 -6.556 23 HH22 ARG 16 2HH2 ARG 16 0.460 -2.832 -6.597 24 H HIS 17 H HIS 17 -1.007 2.470 -9.562 25 HA HIS 17 HA HIS 17 -1.444 3.578 -12.132 26 HB2 HIS 17 2HB HIS 17 -1.770 1.161 -11.237 27 HB3 HIS 17 1HB HIS 17 -3.318 1.728 -10.647 28 HD1 HIS 17 HD1 HIS 17 -1.968 -0.073 -13.283 29 HD2 HIS 17 HD2 HIS 17 -4.837 2.911 -13.046 30 HE1 HIS 17 HE1 HIS 17 -3.384 -0.282 -15.392 31 H ALA 18 H ALA 18 -2.780 3.864 -9.153 32 HA ALA 18 HA ALA 18 -5.280 5.176 -9.668 33 HB1 ALA 18 1HB ALA 18 -3.814 4.893 -7.092 34 HB2 ALA 18 2HB ALA 18 -4.900 3.679 -7.773 35 HB3 ALA 18 3HB ALA 18 -5.518 5.272 -7.337 36 H ALA 19 H ALA 19 -2.179 6.369 -9.834 37 HA ALA 19 HA ALA 19 -2.042 8.638 -8.355 38 HB1 ALA 19 1HB ALA 19 -0.276 7.814 -9.843 39 HB2 ALA 19 2HB ALA 19 -0.515 9.558 -9.962 40 HB3 ALA 19 3HB ALA 19 -1.145 8.493 -11.219 41 H ASP 20 H ASP 20 -4.228 8.342 -11.078 42 HA ASP 20 HA ASP 20 -4.814 11.077 -11.545 43 HB2 ASP 20 2HB ASP 20 -5.609 9.230 -13.015 44 HB3 ASP 20 1HB ASP 20 -6.577 8.646 -11.664 45 H TYR 21 H TYR 21 -5.863 8.745 -9.159 46 HA TYR 21 HA TYR 21 -7.996 10.115 -7.951 47 HB2 TYR 21 2HB TYR 21 -7.496 7.716 -7.522 48 HB3 TYR 21 1HB TYR 21 -6.061 8.197 -6.627 49 HD1 TYR 21 HD1 TYR 21 -9.738 8.382 -6.664 50 HD2 TYR 21 HD2 TYR 21 -6.239 8.859 -4.253 51 HE1 TYR 21 HE1 TYR 21 -11.111 8.597 -4.676 52 HE2 TYR 21 HE2 TYR 21 -7.616 9.048 -2.291 53 HH TYR 21 HH TYR 21 -10.865 8.269 -2.177 54 H GLN 22 H GLN 22 -4.566 10.405 -7.634 55 HA GLN 22 HA GLN 22 -4.634 11.912 -5.236 56 HB2 GLN 22 2HB GLN 22 -2.467 11.065 -5.966 57 HB3 GLN 22 1HB GLN 22 -2.526 12.061 -7.416 58 HG2 GLN 22 2HG GLN 22 -2.269 14.061 -6.173 59 HG3 GLN 22 1HG GLN 22 -2.567 13.236 -4.652 60 HE21 GLN 22 1HE2 GLN 22 -0.703 14.017 -3.794 61 HE22 GLN 22 2HE2 GLN 22 0.870 13.466 -4.244 62 H GLN 23 H GLN 23 -5.261 12.852 -8.513 63 HA GLN 23 HA GLN 23 -5.340 15.662 -8.019 64 HB2 GLN 23 2HB GLN 23 -5.161 14.605 -10.293 65 HB3 GLN 23 1HB GLN 23 -6.819 14.063 -10.129 66 HG2 GLN 23 2HG GLN 23 -6.834 16.002 -11.500 67 HG3 GLN 23 1HG GLN 23 -7.487 16.475 -9.933 68 HE21 GLN 23 1HE2 GLN 23 -6.302 18.000 -8.632 69 HE22 GLN 23 2HE2 GLN 23 -4.942 18.782 -9.292 70 H LEU 24 H LEU 24 -7.676 12.996 -7.918 71 HA LEU 24 HA LEU 24 -9.916 14.599 -7.236 72 HB2 LEU 24 2HB LEU 24 -10.451 12.445 -8.087 73 HB3 LEU 24 1HB LEU 24 -9.524 11.516 -6.958 74 HG LEU 24 HG LEU 24 -12.066 13.053 -6.310 75 HD11 LEU 24 1HD1 LEU 24 -13.117 10.860 -6.397 76 HD12 LEU 24 2HD1 LEU 24 -11.581 10.145 -6.888 77 HD13 LEU 24 3HD1 LEU 24 -12.410 11.276 -7.961 78 HD21 LEU 24 1HD2 LEU 24 -10.602 10.885 -4.801 79 HD22 LEU 24 2HD2 LEU 24 -12.136 11.613 -4.341 80 HD23 LEU 24 3HD2 LEU 24 -10.667 12.581 -4.339 81 H ARG 25 H ARG 25 -7.402 13.150 -5.378 82 HA ARG 25 HA ARG 25 -8.445 13.525 -2.783 83 HB2 ARG 25 2HB ARG 25 -6.289 12.277 -3.567 84 HB3 ARG 25 1HB ARG 25 -5.524 13.854 -3.399 85 HG2 ARG 25 2HG ARG 25 -5.162 13.110 -1.269 86 HG3 ARG 25 1HG ARG 25 -6.819 13.700 -1.050 87 HD2 ARG 25 2HD ARG 25 -6.977 11.655 -0.194 88 HD3 ARG 25 1HD ARG 25 -7.523 11.424 -1.849 89 HE ARG 25 HE ARG 25 -4.871 10.821 -2.031 90 HH11 ARG 25 1HH1 ARG 25 -7.534 9.577 -0.161 91 HH12 ARG 25 2HH1 ARG 25 -6.694 8.213 0.422 92 HH21 ARG 25 1HH2 ARG 25 -3.707 8.876 -1.347 93 HH22 ARG 25 2HH2 ARG 25 -4.527 7.794 -0.282 94 H GLU 26 H GLU 26 -6.282 15.503 -4.796 95 HA GLU 26 HA GLU 26 -5.936 17.723 -3.228 96 HB2 GLU 26 2HB GLU 26 -4.629 17.185 -5.200 97 HB3 GLU 26 1HB GLU 26 -6.043 17.261 -6.216 98 HG2 GLU 26 2HG GLU 26 -5.009 19.666 -4.785 99 HG3 GLU 26 1HG GLU 26 -4.313 19.126 -6.316 100 H ARG 27 H ARG 27 -8.410 16.973 -5.593 101 HA ARG 27 HA ARG 27 -9.923 19.301 -5.386 102 HB2 ARG 27 2HB ARG 27 -10.838 16.504 -6.034 103 HB3 ARG 27 1HB ARG 27 -11.808 17.949 -6.238 104 HG2 ARG 27 2HG ARG 27 -9.201 17.450 -7.674 105 HG3 ARG 27 1HG ARG 27 -10.777 17.056 -8.346 106 HD2 ARG 27 2HD ARG 27 -10.060 19.141 -9.246 107 HD3 ARG 27 1HD ARG 27 -11.392 19.459 -8.145 108 HE ARG 27 HE ARG 27 -8.536 19.828 -7.485 109 HH11 ARG 27 1HH1 ARG 27 -11.909 20.964 -7.114 110 HH12 ARG 27 2HH1 ARG 27 -11.455 22.371 -6.276 111 HH21 ARG 27 1HH2 ARG 27 -7.974 21.663 -6.370 112 HH22 ARG 27 2HH2 ARG 27 -9.077 22.808 -5.800 113 H LEU 28 H LEU 28 -10.455 16.166 -3.750 114 HA LEU 28 HA LEU 28 -12.710 16.835 -2.297 115 HB2 LEU 28 2HB LEU 28 -10.574 14.796 -1.752 116 HB3 LEU 28 1HB LEU 28 -11.844 15.075 -0.592 117 HG LEU 28 HG LEU 28 -12.200 14.145 -3.436 118 HD11 LEU 28 1HD1 LEU 28 -12.617 12.804 -0.774 119 HD12 LEU 28 2HD1 LEU 28 -11.322 12.456 -1.922 120 HD13 LEU 28 3HD1 LEU 28 -12.999 12.109 -2.346 121 HD21 LEU 28 1HD2 LEU 28 -14.082 15.546 -2.833 122 HD22 LEU 28 2HD2 LEU 28 -14.209 14.737 -1.275 123 HD23 LEU 28 3HD2 LEU 28 -14.566 13.853 -2.756 124 H ILE 29 H ILE 29 -9.404 17.305 -1.324 125 HA ILE 29 HA ILE 29 -10.100 18.086 1.282 126 HB ILE 29 HB ILE 29 -7.510 18.444 -0.275 127 HG12 ILE 29 2HG1 ILE 29 -8.425 16.577 1.884 128 HG13 ILE 29 1HG1 ILE 29 -8.270 16.166 0.183 129 HG21 ILE 29 1HG2 ILE 29 -7.683 20.158 1.550 130 HG22 ILE 29 2HG2 ILE 29 -6.431 18.947 1.854 131 HG23 ILE 29 3HG2 ILE 29 -7.972 18.835 2.690 132 HD11 ILE 29 1HD1 ILE 29 -6.539 15.265 1.540 133 HD12 ILE 29 2HD1 ILE 29 -6.043 16.878 2.074 134 HD13 ILE 29 3HD1 ILE 29 -5.849 16.399 0.372 135 H GLN 30 H GLN 30 -9.774 19.889 -1.685 136 HA GLN 30 HA GLN 30 -10.103 22.397 -0.285 137 HB2 GLN 30 2HB GLN 30 -10.063 21.762 -3.224 138 HB3 GLN 30 1HB GLN 30 -10.210 23.384 -2.562 139 HG2 GLN 30 2HG GLN 30 -8.039 23.178 -1.511 140 HG3 GLN 30 1HG GLN 30 -7.897 21.522 -2.102 141 HE21 GLN 30 1HE2 GLN 30 -6.102 21.930 -3.276 142 HE22 GLN 30 2HE2 GLN 30 -6.139 22.800 -4.758 143 H GLU 31 H GLU 31 -12.073 20.131 -2.058 144 HA GLU 31 HA GLU 31 -14.372 21.491 -2.666 145 HB2 GLU 31 2HB GLU 31 -13.985 18.699 -1.674 146 HB3 GLU 31 1HB GLU 31 -15.571 19.368 -2.051 147 HG2 GLU 31 2HG GLU 31 -13.300 19.251 -4.007 148 HG3 GLU 31 1HG GLU 31 -14.545 18.010 -3.863 149 H LEU 32 H LEU 32 -13.854 19.836 0.490 150 HA LEU 32 HA LEU 32 -15.989 21.582 1.454 151 HB2 LEU 32 2HB LEU 32 -14.924 19.067 2.738 152 HB3 LEU 32 1HB LEU 32 -16.258 20.033 3.317 153 HG LEU 32 HG LEU 32 -17.373 19.455 1.072 154 HD11 LEU 32 1HD1 LEU 32 -16.700 17.418 0.015 155 HD12 LEU 32 2HD1 LEU 32 -15.385 17.201 1.161 156 HD13 LEU 32 3HD1 LEU 32 -15.340 18.540 0.013 157 HD21 LEU 32 1HD2 LEU 32 -18.106 18.623 3.218 158 HD22 LEU 32 2HD2 LEU 32 -16.888 17.348 3.148 159 HD23 LEU 32 3HD2 LEU 32 -18.214 17.366 1.987 160 H ASN 33 H ASN 33 -12.928 22.025 1.196 161 HA ASN 33 HA ASN 33 -11.207 22.989 2.337 162 HB2 ASN 33 2HB ASN 33 -13.514 24.121 3.963 163 HB3 ASN 33 1HB ASN 33 -11.848 24.650 4.153 164 HD21 ASN 33 1HD2 ASN 33 -14.645 24.695 2.140 165 HD22 ASN 33 2HD2 ASN 33 -14.081 25.927 1.051 166 H LEU 34 H LEU 34 -11.362 20.521 2.882 167 HA LEU 34 HA LEU 34 -11.714 19.919 5.680 168 HB2 LEU 34 2HB LEU 34 -10.705 18.208 3.395 169 HB3 LEU 34 1HB LEU 34 -11.098 17.632 5.001 170 HG LEU 34 HG LEU 34 -13.079 18.929 3.178 171 HD11 LEU 34 1HD1 LEU 34 -13.969 16.633 2.692 172 HD12 LEU 34 2HD1 LEU 34 -12.630 15.956 3.608 173 HD13 LEU 34 3HD1 LEU 34 -12.322 16.847 2.122 174 HD21 LEU 34 1HD2 LEU 34 -13.431 17.302 5.689 175 HD22 LEU 34 2HD2 LEU 34 -14.747 17.870 4.665 176 HD23 LEU 34 3HD2 LEU 34 -13.719 19.034 5.500 177 H THR 35 H THR 35 -10.140 19.944 7.115 178 HA THR 35 HA THR 35 -7.489 20.764 6.450 179 HB THR 35 HB THR 35 -8.582 19.589 9.031 180 HG1 THR 35 1HG THR 35 -9.242 21.884 7.723 181 HG21 THR 35 1HG2 THR 35 -6.368 21.601 8.528 182 HG22 THR 35 2HG2 THR 35 -6.135 19.920 9.008 183 HG23 THR 35 3HG2 THR 35 -6.915 21.051 10.111 184 HA PRO 36 HA PRO 36 -5.857 16.535 5.720 185 HB2 PRO 36 2HB PRO 36 -3.526 17.429 7.368 186 HB3 PRO 36 1HB PRO 36 -3.530 16.700 5.747 187 HG2 PRO 36 2HG PRO 36 -3.045 19.263 5.999 188 HG3 PRO 36 1HG PRO 36 -4.084 18.669 4.687 189 HD2 PRO 36 2HD PRO 36 -4.863 20.055 7.209 190 HD3 PRO 36 1HD PRO 36 -5.543 20.202 5.576 191 H GLN 37 H GLN 37 -6.053 17.983 8.848 192 HA GLN 37 HA GLN 37 -5.734 15.504 10.325 193 HB2 GLN 37 2HB GLN 37 -6.727 18.182 11.325 194 HB3 GLN 37 1HB GLN 37 -6.190 16.833 12.311 195 HG2 GLN 37 2HG GLN 37 -4.497 18.544 10.500 196 HG3 GLN 37 1HG GLN 37 -4.486 18.527 12.261 197 HE21 GLN 37 1HE2 GLN 37 -3.526 16.758 13.324 198 HE22 GLN 37 2HE2 GLN 37 -2.442 15.706 12.477 199 H GLN 38 H GLN 38 -8.154 16.910 8.533 200 HA GLN 38 HA GLN 38 -10.373 15.775 10.058 201 HB2 GLN 38 2HB GLN 38 -10.671 18.120 9.427 202 HB3 GLN 38 1HB GLN 38 -10.228 17.758 7.765 203 HG2 GLN 38 2HG GLN 38 -12.560 18.023 7.835 204 HG3 GLN 38 1HG GLN 38 -12.158 16.317 7.597 205 HE21 GLN 38 1HE2 GLN 38 -14.178 15.638 8.376 206 HE22 GLN 38 2HE2 GLN 38 -14.563 15.710 10.063 207 H LEU 39 H LEU 39 -8.482 15.665 7.112 208 HA LEU 39 HA LEU 39 -10.119 13.432 6.279 209 HB2 LEU 39 2HB LEU 39 -10.550 15.482 4.916 210 HB3 LEU 39 1HB LEU 39 -8.888 15.404 4.361 211 HG LEU 39 HG LEU 39 -9.368 13.084 3.633 212 HD11 LEU 39 1HD1 LEU 39 -11.699 12.516 3.122 213 HD12 LEU 39 2HD1 LEU 39 -12.206 13.915 4.073 214 HD13 LEU 39 3HD1 LEU 39 -11.331 12.592 4.841 215 HD21 LEU 39 1HD2 LEU 39 -10.512 13.823 1.526 216 HD22 LEU 39 2HD2 LEU 39 -9.092 14.741 1.992 217 HD23 LEU 39 3HD2 LEU 39 -10.706 15.416 2.274 218 H HIS 40 H HIS 40 -8.752 12.017 7.100 219 HA HIS 40 HA HIS 40 -6.258 11.641 5.651 220 HB2 HIS 40 2HB HIS 40 -5.813 11.903 8.067 221 HB3 HIS 40 1HB HIS 40 -7.057 10.725 8.453 222 HD1 HIS 40 HD1 HIS 40 -6.131 8.516 9.050 223 HD2 HIS 40 HD2 HIS 40 -3.631 10.551 6.433 224 HE1 HIS 40 HE1 HIS 40 -4.333 6.929 8.516 225 H GLU 41 H GLU 41 -5.847 9.166 5.403 226 HA GLU 41 HA GLU 41 -7.580 8.081 3.642 227 HB2 GLU 41 2HB GLU 41 -5.601 6.743 5.457 228 HB3 GLU 41 1HB GLU 41 -6.513 5.819 4.281 229 HG2 GLU 41 2HG GLU 41 -4.759 8.174 3.583 230 HG3 GLU 41 1HG GLU 41 -4.222 6.496 3.545 231 H GLU 42 H GLU 42 -7.880 7.630 7.188 232 HA GLU 42 HA GLU 42 -9.861 5.541 6.733 233 HB2 GLU 42 2HB GLU 42 -9.519 4.868 8.977 234 HB3 GLU 42 1HB GLU 42 -7.981 5.507 8.514 235 HG2 GLU 42 2HG GLU 42 -10.007 7.118 10.042 236 HG3 GLU 42 1HG GLU 42 -8.716 6.181 10.786 237 H SER 43 H SER 43 -9.872 8.826 6.889 238 HA SER 43 HA SER 43 -12.060 9.311 8.614 239 HB2 SER 43 2HB SER 43 -10.912 11.052 6.435 240 HB3 SER 43 1HB SER 43 -11.887 11.582 7.808 241 HG SER 43 HG SER 43 -9.588 10.150 8.529 242 H ASN 44 H ASN 44 -14.155 9.160 8.201 243 HA ASN 44 HA ASN 44 -15.046 8.202 5.676 244 HB2 ASN 44 2HB ASN 44 -16.626 8.916 8.140 245 HB3 ASN 44 1HB ASN 44 -17.384 8.388 6.645 246 HD21 ASN 44 1HD2 ASN 44 -15.716 7.442 9.471 247 HD22 ASN 44 2HD2 ASN 44 -15.720 5.743 9.152 248 H LEU 45 H LEU 45 -15.536 9.196 4.053 249 HA LEU 45 HA LEU 45 -15.604 12.026 3.897 250 HB2 LEU 45 2HB LEU 45 -15.916 9.813 1.952 251 HB3 LEU 45 1HB LEU 45 -16.358 11.439 1.478 252 HG LEU 45 HG LEU 45 -13.597 10.798 2.561 253 HD11 LEU 45 1HD1 LEU 45 -12.875 10.705 0.262 254 HD12 LEU 45 2HD1 LEU 45 -14.559 10.773 -0.278 255 HD13 LEU 45 3HD1 LEU 45 -13.982 9.397 0.673 256 HD21 LEU 45 1HD2 LEU 45 -14.701 13.088 0.873 257 HD22 LEU 45 2HD2 LEU 45 -13.046 12.920 1.402 258 HD23 LEU 45 3HD2 LEU 45 -14.313 13.197 2.576 259 H ILE 46 H ILE 46 -18.132 9.639 4.139 260 HA ILE 46 HA ILE 46 -20.183 11.495 3.393 261 HB ILE 46 HB ILE 46 -20.397 8.884 4.946 262 HG12 ILE 46 2HG1 ILE 46 -19.722 8.577 2.610 263 HG13 ILE 46 1HG1 ILE 46 -21.331 7.930 2.885 264 HG21 ILE 46 1HG2 ILE 46 -22.820 8.944 4.573 265 HG22 ILE 46 2HG2 ILE 46 -22.666 10.558 3.881 266 HG23 ILE 46 3HG2 ILE 46 -22.271 10.287 5.578 267 HD11 ILE 46 1HD1 ILE 46 -21.193 9.013 0.764 268 HD12 ILE 46 2HD1 ILE 46 -20.606 10.502 1.510 269 HD13 ILE 46 3HD1 ILE 46 -22.261 9.942 1.818 270 H GLN 47 H GLN 47 -18.451 10.770 6.324 271 HA GLN 47 HA GLN 47 -20.216 12.295 8.018 272 HB2 GLN 47 2HB GLN 47 -17.387 11.349 8.523 273 HB3 GLN 47 1HB GLN 47 -18.413 12.121 9.716 274 HG2 GLN 47 2HG GLN 47 -19.990 10.222 9.505 275 HG3 GLN 47 1HG GLN 47 -18.839 9.440 8.420 276 HE21 GLN 47 1HE2 GLN 47 -19.493 10.393 11.680 277 HE22 GLN 47 2HE2 GLN 47 -18.216 9.481 12.406 278 H ALA 48 H ALA 48 -17.516 12.868 5.983 279 HA ALA 48 HA ALA 48 -16.818 15.438 6.990 280 HB1 ALA 48 1HB ALA 48 -16.368 14.269 4.232 281 HB2 ALA 48 2HB ALA 48 -15.263 14.126 5.598 282 HB3 ALA 48 3HB ALA 48 -15.579 15.706 4.880 283 H GLY 49 H GLY 49 -19.068 14.203 4.628 284 HA2 GLY 49 2HA GLY 49 -21.189 15.372 4.511 285 HA3 GLY 49 1HA GLY 49 -20.288 16.877 4.568 286 H LEU 50 H LEU 50 -19.488 14.079 2.536 287 HA LEU 50 HA LEU 50 -19.484 15.671 0.150 288 HB2 LEU 50 2HB LEU 50 -19.585 12.691 0.468 289 HB3 LEU 50 1HB LEU 50 -19.405 13.530 -1.052 290 HG LEU 50 HG LEU 50 -17.405 13.411 1.204 291 HD11 LEU 50 1HD1 LEU 50 -17.481 12.492 -1.622 292 HD12 LEU 50 2HD1 LEU 50 -17.646 11.448 -0.203 293 HD13 LEU 50 3HD1 LEU 50 -16.106 12.283 -0.535 294 HD21 LEU 50 1HD2 LEU 50 -17.030 14.711 -1.474 295 HD22 LEU 50 2HD2 LEU 50 -15.981 14.826 -0.028 296 HD23 LEU 50 3HD2 LEU 50 -17.531 15.635 -0.056 297 H ASP 51 H ASP 51 -21.251 16.501 -0.687 298 HA ASP 51 HA ASP 51 -23.783 15.242 -0.353 299 HB2 ASP 51 2HB ASP 51 -24.672 16.915 -1.942 300 HB3 ASP 51 1HB ASP 51 -23.692 17.694 -0.711 301 H SER 52 H SER 52 -25.063 14.423 -2.152 302 HA SER 52 HA SER 52 -23.574 12.401 -3.329 303 HB2 SER 52 2HB SER 52 -26.395 13.113 -4.039 304 HB3 SER 52 1HB SER 52 -25.511 11.567 -4.139 305 HG SER 52 HG SER 52 -25.564 11.328 -2.013 306 H ILE 53 H ILE 53 -24.086 15.612 -4.526 307 HA ILE 53 HA ILE 53 -23.916 14.693 -7.254 308 HB ILE 53 HB ILE 53 -23.519 17.534 -6.261 309 HG12 ILE 53 2HG1 ILE 53 -25.819 16.771 -5.800 310 HG13 ILE 53 1HG1 ILE 53 -25.817 17.957 -7.098 311 HG21 ILE 53 1HG2 ILE 53 -24.028 16.505 -9.077 312 HG22 ILE 53 2HG2 ILE 53 -22.461 16.915 -8.480 313 HG23 ILE 53 3HG2 ILE 53 -23.696 18.184 -8.630 314 HD11 ILE 53 1HD1 ILE 53 -27.366 16.150 -7.571 315 HD12 ILE 53 2HD1 ILE 53 -26.071 14.965 -7.414 316 HD13 ILE 53 3HD1 ILE 53 -26.040 16.134 -8.736 317 H ARG 54 H ARG 54 -21.846 16.207 -4.823 318 HA ARG 54 HA ARG 54 -19.485 16.221 -6.377 319 HB2 ARG 54 2HB ARG 54 -19.702 15.703 -3.410 320 HB3 ARG 54 1HB ARG 54 -18.230 16.166 -4.234 321 HG2 ARG 54 2HG ARG 54 -19.390 18.276 -4.893 322 HG3 ARG 54 1HG ARG 54 -20.709 17.790 -3.827 323 HD2 ARG 54 2HD ARG 54 -18.821 17.515 -2.067 324 HD3 ARG 54 1HD ARG 54 -17.910 18.572 -3.149 325 HE ARG 54 HE ARG 54 -20.573 19.263 -2.234 326 HH11 ARG 54 1HH1 ARG 54 -17.251 20.326 -2.820 327 HH12 ARG 54 2HH1 ARG 54 -17.257 21.611 -1.724 328 HH21 ARG 54 1HH2 ARG 54 -20.682 21.103 -0.791 329 HH22 ARG 54 2HH2 ARG 54 -19.327 22.131 -0.544 330 H LEU 55 H LEU 55 -20.950 13.836 -4.336 331 HA LEU 55 HA LEU 55 -19.086 11.785 -4.440 332 HB2 LEU 55 2HB LEU 55 -21.478 12.117 -3.156 333 HB3 LEU 55 1HB LEU 55 -21.991 11.264 -4.542 334 HG LEU 55 HG LEU 55 -20.908 9.264 -4.001 335 HD11 LEU 55 1HD1 LEU 55 -19.354 9.084 -2.100 336 HD12 LEU 55 2HD1 LEU 55 -19.404 10.838 -1.902 337 HD13 LEU 55 3HD1 LEU 55 -18.729 10.125 -3.369 338 HD21 LEU 55 1HD2 LEU 55 -21.698 8.799 -1.761 339 HD22 LEU 55 2HD2 LEU 55 -22.872 9.763 -2.655 340 HD23 LEU 55 3HD2 LEU 55 -21.844 10.525 -1.440 341 H MET 56 H MET 56 -21.856 12.492 -6.564 342 HA MET 56 HA MET 56 -21.250 10.254 -8.236 343 HB2 MET 56 2HB MET 56 -23.558 10.914 -7.714 344 HB3 MET 56 1HB MET 56 -23.331 12.392 -8.627 345 HG2 MET 56 2HG MET 56 -23.184 11.234 -10.671 346 HG3 MET 56 1HG MET 56 -22.983 9.680 -9.865 347 HE1 MET 56 HE1 MET 56 -26.498 8.992 -8.377 348 HE2 MET 56 HE2 MET 56 -25.251 9.906 -7.542 349 HE3 MET 56 HE3 MET 56 -24.804 8.492 -8.481 350 H ARG 57 H ARG 57 -20.368 13.586 -8.241 351 HA ARG 57 HA ARG 57 -19.786 13.999 -10.899 352 HB2 ARG 57 2HB ARG 57 -17.938 14.710 -8.603 353 HB3 ARG 57 1HB ARG 57 -17.761 15.308 -10.225 354 HG2 ARG 57 2HG ARG 57 -19.854 16.565 -9.944 355 HG3 ARG 57 1HG ARG 57 -19.951 15.986 -8.271 356 HD2 ARG 57 2HD ARG 57 -17.497 16.805 -8.107 357 HD3 ARG 57 1HD ARG 57 -17.870 17.728 -9.548 358 HE ARG 57 HE ARG 57 -19.811 18.427 -7.781 359 HH11 ARG 57 1HH1 ARG 57 -16.258 18.486 -7.883 360 HH12 ARG 57 2HH1 ARG 57 -16.074 19.635 -6.646 361 HH21 ARG 57 1HH2 ARG 57 -19.509 20.134 -6.002 362 HH22 ARG 57 2HH2 ARG 57 -17.885 20.491 -5.573 363 H TRP 58 H TRP 58 -18.064 12.542 -8.219 364 HA TRP 58 HA TRP 58 -15.652 11.960 -9.392 365 HB2 TRP 58 2HB TRP 58 -16.925 10.759 -6.939 366 HB3 TRP 58 1HB TRP 58 -15.255 10.489 -7.417 367 HD1 TRP 58 HD1 TRP 58 -16.666 12.290 -4.741 368 HE1 TRP 58 HE1 TRP 58 -15.561 14.481 -4.264 369 HE3 TRP 58 HE3 TRP 58 -14.170 13.063 -9.232 370 HZ2 TRP 58 HZ2 TRP 58 -13.866 16.335 -5.526 371 HZ3 TRP 58 HZ3 TRP 58 -12.877 15.092 -9.447 372 HH2 TRP 58 HH2 TRP 58 -12.730 16.694 -7.646 373 H LEU 59 H LEU 59 -18.540 10.028 -9.246 374 HA LEU 59 HA LEU 59 -17.382 7.596 -10.009 375 HB2 LEU 59 2HB LEU 59 -19.694 7.831 -9.129 376 HB3 LEU 59 1HB LEU 59 -20.180 8.584 -10.625 377 HG LEU 59 HG LEU 59 -20.866 6.146 -10.269 378 HD11 LEU 59 1HD1 LEU 59 -21.018 7.164 -12.467 379 HD12 LEU 59 2HD1 LEU 59 -20.499 5.481 -12.586 380 HD13 LEU 59 3HD1 LEU 59 -19.323 6.783 -12.773 381 HD21 LEU 59 1HD2 LEU 59 -19.197 4.441 -10.819 382 HD22 LEU 59 2HD2 LEU 59 -18.757 5.321 -9.357 383 HD23 LEU 59 3HD2 LEU 59 -17.945 5.676 -10.875 384 H HIS 60 H HIS 60 -18.607 10.239 -11.934 385 HA HIS 60 HA HIS 60 -18.095 8.979 -14.461 386 HB2 HIS 60 2HB HIS 60 -18.670 11.869 -13.745 387 HB3 HIS 60 1HB HIS 60 -18.576 11.252 -15.390 388 HD1 HIS 60 HD1 HIS 60 -20.869 11.329 -12.380 389 HD2 HIS 60 HD2 HIS 60 -20.744 9.693 -16.209 390 HE1 HIS 60 HE1 HIS 60 -23.190 10.528 -12.883 391 H TRP 61 H TRP 61 -16.493 11.156 -12.318 392 HA TRP 61 HA TRP 61 -14.351 12.014 -13.886 393 HB2 TRP 61 2HB TRP 61 -15.070 12.989 -11.711 394 HB3 TRP 61 1HB TRP 61 -14.498 11.529 -10.922 395 HD1 TRP 61 HD1 TRP 61 -13.299 14.848 -12.268 396 HE1 TRP 61 HE1 TRP 61 -10.836 15.167 -11.635 397 HE3 TRP 61 HE3 TRP 61 -12.330 10.167 -10.530 398 HZ2 TRP 61 HZ2 TRP 61 -8.767 13.626 -10.560 399 HZ3 TRP 61 HZ3 TRP 61 -10.084 9.667 -9.710 400 HH2 TRP 61 HH2 TRP 61 -8.346 11.363 -9.728 401 H PHE 62 H PHE 62 -14.787 9.094 -11.925 402 HA PHE 62 HA PHE 62 -12.142 8.069 -12.201 403 HB2 PHE 62 2HB PHE 62 -14.734 6.533 -11.903 404 HB3 PHE 62 1HB PHE 62 -13.144 5.837 -11.709 405 HD1 PHE 62 HD1 PHE 62 -15.791 6.443 -9.947 406 HD2 PHE 62 HD2 PHE 62 -11.773 7.735 -10.094 407 HE1 PHE 62 HE1 PHE 62 -15.913 6.997 -7.564 408 HE2 PHE 62 HE2 PHE 62 -11.861 8.294 -7.687 409 HZ PHE 62 HZ PHE 62 -13.949 7.922 -6.424 410 H ARG 63 H ARG 63 -15.109 7.495 -13.904 411 HA ARG 63 HA ARG 63 -13.923 5.620 -15.611 412 HB2 ARG 63 2HB ARG 63 -16.706 6.778 -15.658 413 HB3 ARG 63 1HB ARG 63 -16.147 5.470 -16.711 414 HG2 ARG 63 2HG ARG 63 -15.609 4.122 -14.733 415 HG3 ARG 63 1HG ARG 63 -16.213 5.412 -13.701 416 HD2 ARG 63 2HD ARG 63 -18.445 5.141 -14.681 417 HD3 ARG 63 1HD ARG 63 -17.830 3.855 -15.724 418 HE ARG 63 HE ARG 63 -17.383 3.440 -12.903 419 HH11 ARG 63 1HH1 ARG 63 -19.663 2.851 -15.537 420 HH12 ARG 63 2HH1 ARG 63 -20.397 1.494 -14.816 421 HH21 ARG 63 1HH2 ARG 63 -18.341 1.619 -11.893 422 HH22 ARG 63 2HH2 ARG 63 -19.592 0.734 -12.614 423 H LYS 64 H LYS 64 -13.937 8.969 -15.805 424 HA LYS 64 HA LYS 64 -13.853 9.443 -18.571 425 HB2 LYS 64 2HB LYS 64 -12.699 11.477 -18.117 426 HB3 LYS 64 1HB LYS 64 -13.691 11.201 -16.695 427 HG2 LYS 64 2HG LYS 64 -11.749 10.333 -15.500 428 HG3 LYS 64 1HG LYS 64 -10.757 10.564 -16.932 429 HD2 LYS 64 2HD LYS 64 -11.273 13.008 -16.792 430 HD3 LYS 64 1HD LYS 64 -12.082 12.687 -15.253 431 HE2 LYS 64 2HE LYS 64 -9.232 12.012 -15.890 432 HE3 LYS 64 1HE LYS 64 -9.726 13.446 -14.982 433 HZ1 LYS 64 1HZ LYS 64 -10.193 10.614 -14.131 434 HZ2 LYS 64 2HZ LYS 64 -10.550 11.955 -13.206 435 HZ3 LYS 64 3HZ LYS 64 -8.960 11.559 -13.563 436 H ASN 65 H ASN 65 -11.466 8.019 -16.438 437 HA ASN 65 HA ASN 65 -9.577 7.705 -18.688 438 HB2 ASN 65 2HB ASN 65 -9.086 7.497 -15.700 439 HB3 ASN 65 1HB ASN 65 -7.887 7.126 -16.926 440 HD21 ASN 65 1HD2 ASN 65 -7.761 9.044 -14.804 441 HD22 ASN 65 2HD2 ASN 65 -7.488 10.565 -15.528 442 H GLY 66 H GLY 66 -12.047 6.233 -17.770 443 HA2 GLY 66 2HA GLY 66 -12.794 4.092 -17.827 444 HA3 GLY 66 1HA GLY 66 -11.214 3.645 -18.447 445 H TYR 67 H TYR 67 -11.754 5.166 -15.273 446 HA TYR 67 HA TYR 67 -10.403 3.019 -14.029 447 HB2 TYR 67 2HB TYR 67 -11.741 5.424 -12.968 448 HB3 TYR 67 1HB TYR 67 -11.456 4.093 -11.840 449 HD1 TYR 67 HD1 TYR 67 -8.977 3.149 -11.952 450 HD2 TYR 67 HD2 TYR 67 -10.179 7.033 -13.159 451 HE1 TYR 67 HE1 TYR 67 -6.673 3.944 -11.619 452 HE2 TYR 67 HE2 TYR 67 -7.896 7.838 -12.866 453 HH TYR 67 HH TYR 67 -5.199 5.741 -12.279 454 H ARG 68 H ARG 68 -11.341 2.005 -12.054 455 HA ARG 68 HA ARG 68 -13.643 0.539 -13.204 456 HB2 ARG 68 2HB ARG 68 -11.148 -0.588 -11.943 457 HB3 ARG 68 1HB ARG 68 -12.631 -1.522 -12.037 458 HG2 ARG 68 2HG ARG 68 -11.146 -2.176 -13.781 459 HG3 ARG 68 1HG ARG 68 -12.548 -1.368 -14.474 460 HD2 ARG 68 2HD ARG 68 -10.696 -0.504 -15.628 461 HD3 ARG 68 1HD ARG 68 -11.268 0.651 -14.396 462 HE ARG 68 HE ARG 68 -9.245 -0.746 -13.177 463 HH11 ARG 68 1HH1 ARG 68 -9.501 1.444 -15.963 464 HH12 ARG 68 2HH1 ARG 68 -7.887 1.966 -15.906 465 HH21 ARG 68 1HH2 ARG 68 -7.034 0.086 -13.020 466 HH22 ARG 68 2HH2 ARG 68 -6.425 1.134 -14.195 467 H LEU 69 H LEU 69 -14.591 2.300 -11.678 468 HA LEU 69 HA LEU 69 -15.026 0.978 -9.084 469 HB2 LEU 69 2HB LEU 69 -14.718 3.939 -9.526 470 HB3 LEU 69 1HB LEU 69 -15.223 3.191 -8.031 471 HG LEU 69 HG LEU 69 -12.508 3.007 -9.321 472 HD11 LEU 69 1HD1 LEU 69 -13.484 4.226 -6.752 473 HD12 LEU 69 2HD1 LEU 69 -12.997 5.103 -8.197 474 HD13 LEU 69 3HD1 LEU 69 -11.800 4.169 -7.285 475 HD21 LEU 69 1HD2 LEU 69 -11.876 1.728 -7.327 476 HD22 LEU 69 2HD2 LEU 69 -13.068 0.882 -8.311 477 HD23 LEU 69 3HD2 LEU 69 -13.570 1.705 -6.830 478 H THR 70 H THR 70 -17.051 1.093 -8.260 479 HA THR 70 HA THR 70 -19.026 2.569 -9.815 480 HB THR 70 HB THR 70 -19.552 0.286 -7.943 481 HG1 THR 70 1HG THR 70 -18.373 -0.660 -9.519 482 HG21 THR 70 1HG2 THR 70 -21.473 1.683 -8.529 483 HG22 THR 70 2HG2 THR 70 -21.652 0.080 -9.241 484 HG23 THR 70 3HG2 THR 70 -21.147 1.439 -10.245 485 H LEU 71 H LEU 71 -20.502 3.685 -8.515 486 HA LEU 71 HA LEU 71 -19.202 4.915 -6.272 487 HB2 LEU 71 2HB LEU 71 -20.684 6.027 -8.035 488 HB3 LEU 71 1HB LEU 71 -21.972 5.320 -7.070 489 HG LEU 71 HG LEU 71 -21.410 6.625 -5.154 490 HD11 LEU 71 1HD1 LEU 71 -19.095 6.725 -5.339 491 HD12 LEU 71 2HD1 LEU 71 -19.641 8.421 -5.480 492 HD13 LEU 71 3HD1 LEU 71 -19.212 7.465 -6.918 493 HD21 LEU 71 1HD2 LEU 71 -21.561 8.286 -7.658 494 HD22 LEU 71 2HD2 LEU 71 -21.920 8.858 -6.029 495 HD23 LEU 71 3HD2 LEU 71 -22.937 7.622 -6.777 496 H ARG 72 H ARG 72 -21.628 2.524 -6.701 497 HA ARG 72 HA ARG 72 -22.979 2.636 -4.230 498 HB2 ARG 72 2HB ARG 72 -22.360 0.228 -5.955 499 HB3 ARG 72 1HB ARG 72 -23.491 0.232 -4.616 500 HG2 ARG 72 2HG ARG 72 -24.892 1.851 -5.811 501 HG3 ARG 72 1HG ARG 72 -23.747 1.839 -7.154 502 HD2 ARG 72 2HD ARG 72 -24.143 -0.566 -7.465 503 HD3 ARG 72 1HD ARG 72 -25.294 -0.547 -6.132 504 HE ARG 72 HE ARG 72 -26.209 1.343 -7.856 505 HH11 ARG 72 1HH1 ARG 72 -25.513 -2.125 -8.131 506 HH12 ARG 72 2HH1 ARG 72 -26.662 -2.436 -9.337 507 HH21 ARG 72 1HH2 ARG 72 -27.843 0.928 -9.547 508 HH22 ARG 72 2HH2 ARG 72 -28.035 -0.636 -10.165 509 H GLU 73 H GLU 73 -19.846 1.712 -5.070 510 HA GLU 73 HA GLU 73 -19.338 -0.060 -2.822 511 HB2 GLU 73 2HB GLU 73 -17.432 1.231 -4.789 512 HB3 GLU 73 1HB GLU 73 -17.034 -0.069 -3.674 513 HG2 GLU 73 2HG GLU 73 -18.514 -1.550 -4.780 514 HG3 GLU 73 1HG GLU 73 -19.071 -0.270 -5.878 515 H LEU 74 H LEU 74 -18.979 3.241 -3.719 516 HA LEU 74 HA LEU 74 -17.177 3.927 -1.584 517 HB2 LEU 74 2HB LEU 74 -18.611 5.708 -3.539 518 HB3 LEU 74 1HB LEU 74 -17.223 6.133 -2.556 519 HG LEU 74 HG LEU 74 -17.251 4.186 -4.878 520 HD11 LEU 74 1HD1 LEU 74 -17.258 6.434 -5.627 521 HD12 LEU 74 2HD1 LEU 74 -15.655 5.738 -5.856 522 HD13 LEU 74 3HD1 LEU 74 -15.954 6.848 -4.519 523 HD21 LEU 74 1HD2 LEU 74 -14.973 4.917 -3.049 524 HD22 LEU 74 2HD2 LEU 74 -14.850 3.955 -4.523 525 HD23 LEU 74 3HD2 LEU 74 -15.771 3.346 -3.148 526 H TYR 75 H TYR 75 -20.569 3.840 -2.105 527 HA TYR 75 HA TYR 75 -21.254 5.469 0.159 528 HB2 TYR 75 2HB TYR 75 -22.814 3.469 -1.473 529 HB3 TYR 75 1HB TYR 75 -23.472 4.155 0.001 530 HD1 TYR 75 HD1 TYR 75 -22.629 4.778 -3.495 531 HD2 TYR 75 HD2 TYR 75 -24.126 6.486 0.092 532 HE1 TYR 75 HE1 TYR 75 -23.526 6.656 -4.781 533 HE2 TYR 75 HE2 TYR 75 -25.029 8.380 -1.167 534 HH TYR 75 HH TYR 75 -25.333 8.373 -4.534 535 H ALA 76 H ALA 76 -20.558 2.100 -0.431 536 HA ALA 76 HA ALA 76 -21.481 1.135 2.086 537 HB1 ALA 76 1HB ALA 76 -21.333 -0.320 0.115 538 HB2 ALA 76 2HB ALA 76 -20.381 -0.959 1.456 539 HB3 ALA 76 3HB ALA 76 -19.579 -0.140 0.116 540 H ALA 77 H ALA 77 -18.321 1.966 0.757 541 HA ALA 77 HA ALA 77 -17.378 2.229 3.507 542 HB1 ALA 77 1HB ALA 77 -15.776 1.160 1.172 543 HB2 ALA 77 2HB ALA 77 -16.372 0.208 2.531 544 HB3 ALA 77 3HB ALA 77 -15.154 1.456 2.796 545 HA PRO 78 HA PRO 78 -16.667 6.058 1.258 546 HB2 PRO 78 2HB PRO 78 -17.925 7.693 2.993 547 HB3 PRO 78 1HB PRO 78 -18.777 6.782 1.725 548 HG2 PRO 78 2HG PRO 78 -18.938 6.424 4.586 549 HG3 PRO 78 1HG PRO 78 -19.887 5.643 3.311 550 HD2 PRO 78 2HD PRO 78 -17.568 4.610 4.768 551 HD3 PRO 78 1HD PRO 78 -18.763 3.746 3.772 552 H THR 79 H THR 79 -14.434 5.737 1.901 553 HA THR 79 HA THR 79 -13.556 7.767 3.782 554 HB THR 79 HB THR 79 -11.716 6.152 4.461 555 HG1 THR 79 1HG THR 79 -13.116 3.897 4.108 556 HG21 THR 79 1HG2 THR 79 -14.514 5.366 5.255 557 HG22 THR 79 2HG2 THR 79 -13.546 6.646 5.982 558 HG23 THR 79 3HG2 THR 79 -13.045 4.955 6.156 559 H LEU 80 H LEU 80 -11.395 8.471 3.074 560 HA LEU 80 HA LEU 80 -11.047 8.583 0.345 561 HB2 LEU 80 2HB LEU 80 -9.153 8.735 2.572 562 HB3 LEU 80 1HB LEU 80 -8.624 8.798 0.897 563 HG LEU 80 HG LEU 80 -10.458 10.809 2.250 564 HD11 LEU 80 1HD1 LEU 80 -8.455 12.267 1.931 565 HD12 LEU 80 2HD1 LEU 80 -7.593 10.800 1.430 566 HD13 LEU 80 3HD1 LEU 80 -8.213 10.932 3.082 567 HD21 LEU 80 1HD2 LEU 80 -10.168 12.127 0.230 568 HD22 LEU 80 2HD2 LEU 80 -10.821 10.559 -0.245 569 HD23 LEU 80 3HD2 LEU 80 -9.111 10.920 -0.455 570 H ALA 81 H ALA 81 -9.645 6.409 2.748 571 HA ALA 81 HA ALA 81 -7.797 4.991 1.331 572 HB1 ALA 81 1HB ALA 81 -9.579 3.851 3.467 573 HB2 ALA 81 2HB ALA 81 -8.163 4.843 3.771 574 HB3 ALA 81 3HB ALA 81 -7.984 3.264 2.994 575 H ALA 82 H ALA 82 -11.244 4.286 1.661 576 HA ALA 82 HA ALA 82 -11.109 1.830 0.288 577 HB1 ALA 82 1HB ALA 82 -13.511 1.947 0.125 578 HB2 ALA 82 2HB ALA 82 -13.483 3.655 0.563 579 HB3 ALA 82 3HB ALA 82 -12.983 2.435 1.735 580 H TRP 83 H TRP 83 -11.722 5.106 -0.933 581 HA TRP 83 HA TRP 83 -12.452 4.161 -3.551 582 HB2 TRP 83 2HB TRP 83 -11.317 6.981 -3.104 583 HB3 TRP 83 1HB TRP 83 -12.409 6.393 -4.334 584 HD1 TRP 83 HD1 TRP 83 -13.452 5.557 -0.839 585 HE1 TRP 83 HE1 TRP 83 -15.542 6.924 -0.299 586 HE3 TRP 83 HE3 TRP 83 -13.283 8.756 -4.761 587 HZ2 TRP 83 HZ2 TRP 83 -16.906 9.159 -1.378 588 HZ3 TRP 83 HZ3 TRP 83 -14.987 10.509 -4.933 589 HH2 TRP 83 HH2 TRP 83 -16.755 10.708 -3.276 590 H ASN 84 H ASN 84 -9.530 5.208 -2.001 591 HA ASN 84 HA ASN 84 -7.796 5.129 -4.244 592 HB2 ASN 84 2HB ASN 84 -7.196 6.414 -2.265 593 HB3 ASN 84 1HB ASN 84 -7.292 4.988 -1.249 594 HD21 ASN 84 1HD2 ASN 84 -5.139 5.497 -0.494 595 HD22 ASN 84 2HD2 ASN 84 -3.792 5.114 -1.476 596 H GLN 85 H GLN 85 -8.363 2.862 -1.581 597 HA GLN 85 HA GLN 85 -6.717 0.774 -2.428 598 HB2 GLN 85 2HB GLN 85 -7.412 0.825 -0.197 599 HB3 GLN 85 1HB GLN 85 -9.114 0.922 -0.624 600 HG2 GLN 85 2HG GLN 85 -9.095 -1.340 -1.345 601 HG3 GLN 85 1HG GLN 85 -7.352 -1.495 -1.036 602 HE21 GLN 85 1HE2 GLN 85 -9.559 -3.029 0.055 603 HE22 GLN 85 2HE2 GLN 85 -9.497 -2.795 1.771 604 H LEU 86 H LEU 86 -10.157 1.400 -3.077 605 HA LEU 86 HA LEU 86 -10.600 -0.960 -4.466 606 HB2 LEU 86 2HB LEU 86 -11.980 1.693 -4.604 607 HB3 LEU 86 1HB LEU 86 -12.476 0.320 -5.574 608 HG LEU 86 HG LEU 86 -12.417 0.353 -2.552 609 HD11 LEU 86 1HD1 LEU 86 -14.705 0.532 -4.477 610 HD12 LEU 86 2HD1 LEU 86 -14.094 1.844 -3.446 611 HD13 LEU 86 3HD1 LEU 86 -14.837 0.416 -2.721 612 HD21 LEU 86 1HD2 LEU 86 -13.508 -1.671 -4.511 613 HD22 LEU 86 2HD2 LEU 86 -13.726 -1.714 -2.768 614 HD23 LEU 86 3HD2 LEU 86 -12.111 -1.901 -3.450 615 H MET 87 H MET 87 -9.276 2.135 -5.557 616 HA MET 87 HA MET 87 -9.231 1.439 -8.290 617 HB2 MET 87 2HB MET 87 -7.479 3.323 -6.731 618 HB3 MET 87 1HB MET 87 -7.184 2.995 -8.425 619 HG2 MET 87 2HG MET 87 -9.532 3.786 -8.870 620 HG3 MET 87 1HG MET 87 -9.575 4.321 -7.185 621 HE1 MET 87 HE1 MET 87 -9.957 6.139 -9.830 622 HE2 MET 87 HE2 MET 87 -9.027 7.622 -9.427 623 HE3 MET 87 HE3 MET 87 -10.088 6.916 -8.235 624 H LEU 88 H LEU 88 -6.799 0.975 -5.773 625 HA LEU 88 HA LEU 88 -4.897 -0.291 -7.469 626 HB2 LEU 88 2HB LEU 88 -5.154 -0.039 -4.520 627 HB3 LEU 88 1HB LEU 88 -4.016 -1.220 -5.165 628 HG LEU 88 HG LEU 88 -2.981 0.702 -6.327 629 HD11 LEU 88 1HD1 LEU 88 -4.781 2.334 -4.558 630 HD12 LEU 88 2HD1 LEU 88 -4.829 2.263 -6.319 631 HD13 LEU 88 3HD1 LEU 88 -3.432 2.955 -5.507 632 HD21 LEU 88 1HD2 LEU 88 -3.115 0.764 -3.347 633 HD22 LEU 88 2HD2 LEU 88 -1.853 1.517 -4.343 634 HD23 LEU 88 3HD2 LEU 88 -2.078 -0.240 -4.365 635 H SER 89 H SER 89 -7.692 -1.551 -5.891 636 HA SER 89 HA SER 89 -6.739 -4.255 -6.363 637 HB2 SER 89 2HB SER 89 -8.944 -4.892 -5.221 638 HB3 SER 89 1HB SER 89 -7.744 -4.066 -4.229 639 HG SER 89 HG SER 89 -8.897 -2.188 -4.408 640 H ARG 90 H ARG 90 -7.948 -2.039 -8.261 641 HA ARG 90 HA ARG 90 -9.398 -3.992 -9.941 642 HB2 ARG 90 2HB ARG 90 -9.962 -1.025 -9.720 643 HB3 ARG 90 1HB ARG 90 -10.769 -2.170 -10.782 644 HG2 ARG 90 2HG ARG 90 -10.827 -2.360 -7.795 645 HG3 ARG 90 1HG ARG 90 -12.036 -1.504 -8.745 646 HD2 ARG 90 2HD ARG 90 -12.725 -3.510 -9.808 647 HD3 ARG 90 1HD ARG 90 -11.351 -4.404 -9.151 648 HE ARG 90 HE ARG 90 -12.496 -4.739 -7.293 649 HH11 ARG 90 1HH1 ARG 90 -14.035 -1.803 -8.769 650 HH12 ARG 90 2HH1 ARG 90 -15.255 -1.775 -7.568 651 HH21 ARG 90 1HH2 ARG 90 -14.290 -4.531 -5.696 652 HH22 ARG 90 2HH2 ARG 90 -15.374 -3.208 -5.950 653 H SER 91 H SER 91 -6.548 -2.809 -9.645 654 HA SER 91 HA SER 91 -6.164 -2.279 -12.468 655 HB2 SER 91 2HB SER 91 -5.037 -0.542 -10.267 656 HB3 SER 91 1HB SER 91 -4.829 -0.322 -12.003 657 HG SER 91 HG SER 91 -6.999 0.117 -10.357 658 HA PRO 92 HA PRO 92 -2.498 -4.592 -11.154 659 HB2 PRO 92 2HB PRO 92 -1.144 -3.896 -13.622 660 HB3 PRO 92 1HB PRO 92 -1.839 -5.469 -13.187 661 HG2 PRO 92 2HG PRO 92 -2.822 -3.898 -15.178 662 HG3 PRO 92 1HG PRO 92 -3.781 -5.086 -14.275 663 HD2 PRO 92 2HD PRO 92 -3.681 -2.126 -13.952 664 HD3 PRO 92 1HD PRO 92 -5.056 -3.246 -13.825 665 H GLU 93 H GLU 93 -1.288 -3.585 -9.718 666 HA GLU 93 HA GLU 93 -0.155 -2.121 -8.589 667 HB2 GLU 93 2HB GLU 93 1.345 -1.954 -11.201 668 HB3 GLU 93 1HB GLU 93 1.923 -1.223 -9.710 669 HG2 GLU 93 2HG GLU 93 1.392 -4.172 -10.136 670 HG3 GLU 93 1HG GLU 93 2.978 -3.403 -10.109 Start of MODEL 11 1 H ASP 14 1H ASP 14 1.736 -1.235 -2.791 2 HA ASP 14 HA ASP 14 2.211 0.322 -4.583 3 HB2 ASP 14 2HB ASP 14 1.328 -1.846 -5.250 4 HB3 ASP 14 1HB ASP 14 -0.320 -1.330 -4.879 5 H ASN 15 H ASN 15 1.309 1.872 -6.067 6 HA ASN 15 HA ASN 15 -1.215 3.082 -5.505 7 HB2 ASN 15 2HB ASN 15 -0.322 5.348 -5.101 8 HB3 ASN 15 1HB ASN 15 0.174 4.244 -3.828 9 HD21 ASN 15 1HD2 ASN 15 1.315 6.790 -4.757 10 HD22 ASN 15 2HD2 ASN 15 2.970 6.437 -5.142 11 H ARG 16 H ARG 16 0.363 1.683 -7.735 12 HA ARG 16 HA ARG 16 1.409 3.538 -9.350 13 HB2 ARG 16 2HB ARG 16 1.006 1.901 -11.375 14 HB3 ARG 16 1HB ARG 16 2.212 1.620 -10.152 15 HG2 ARG 16 2HG ARG 16 1.069 -0.434 -10.763 16 HG3 ARG 16 1HG ARG 16 0.793 0.055 -9.084 17 HD2 ARG 16 2HD ARG 16 -1.399 0.540 -9.422 18 HD3 ARG 16 1HD ARG 16 -1.178 0.849 -11.144 19 HE ARG 16 HE ARG 16 -1.203 -1.561 -11.504 20 HH11 ARG 16 1HH1 ARG 16 -1.808 -0.898 -8.093 21 HH12 ARG 16 2HH1 ARG 16 -3.046 -2.064 -7.962 22 HH21 ARG 16 1HH2 ARG 16 -2.718 -3.246 -11.276 23 HH22 ARG 16 2HH2 ARG 16 -3.531 -3.486 -9.797 24 H HIS 17 H HIS 17 -1.775 2.332 -10.322 25 HA HIS 17 HA HIS 17 -1.970 4.625 -12.017 26 HB2 HIS 17 2HB HIS 17 -3.927 2.391 -11.473 27 HB3 HIS 17 1HB HIS 17 -4.244 3.712 -12.601 28 HD1 HIS 17 HD1 HIS 17 -3.069 0.298 -12.751 29 HD2 HIS 17 HD2 HIS 17 -1.885 3.893 -14.507 30 HE1 HIS 17 HE1 HIS 17 -1.675 -0.310 -14.717 31 H ALA 18 H ALA 18 -2.765 3.926 -8.854 32 HA ALA 18 HA ALA 18 -4.934 5.656 -8.420 33 HB1 ALA 18 1HB ALA 18 -2.884 4.609 -6.464 34 HB2 ALA 18 2HB ALA 18 -4.522 3.968 -6.774 35 HB3 ALA 18 3HB ALA 18 -4.313 5.530 -6.020 36 H ALA 19 H ALA 19 -1.651 6.332 -8.987 37 HA ALA 19 HA ALA 19 -1.227 8.777 -7.784 38 HB1 ALA 19 1HB ALA 19 0.233 9.315 -9.675 39 HB2 ALA 19 2HB ALA 19 -0.511 8.026 -10.623 40 HB3 ALA 19 3HB ALA 19 0.436 7.631 -9.189 41 H ASP 20 H ASP 20 -3.285 8.042 -10.568 42 HA ASP 20 HA ASP 20 -3.963 10.683 -11.379 43 HB2 ASP 20 2HB ASP 20 -4.548 8.753 -12.794 44 HB3 ASP 20 1HB ASP 20 -5.571 8.111 -11.516 45 H TYR 21 H TYR 21 -5.220 8.539 -8.975 46 HA TYR 21 HA TYR 21 -7.524 10.001 -8.234 47 HB2 TYR 21 2HB TYR 21 -7.283 7.601 -7.870 48 HB3 TYR 21 1HB TYR 21 -5.954 7.894 -6.759 49 HD1 TYR 21 HD1 TYR 21 -9.455 9.058 -7.230 50 HD2 TYR 21 HD2 TYR 21 -6.481 7.709 -4.544 51 HE1 TYR 21 HE1 TYR 21 -11.046 9.220 -5.364 52 HE2 TYR 21 HE2 TYR 21 -8.045 7.885 -2.729 53 HH TYR 21 HH TYR 21 -11.369 8.394 -3.170 54 H GLN 22 H GLN 22 -4.209 10.350 -7.410 55 HA GLN 22 HA GLN 22 -4.611 11.674 -4.971 56 HB2 GLN 22 2HB GLN 22 -2.287 11.522 -6.835 57 HB3 GLN 22 1HB GLN 22 -2.261 12.700 -5.526 58 HG2 GLN 22 2HG GLN 22 -2.740 9.757 -5.136 59 HG3 GLN 22 1HG GLN 22 -1.166 10.541 -4.976 60 HE21 GLN 22 1HE2 GLN 22 -0.803 11.919 -3.250 61 HE22 GLN 22 2HE2 GLN 22 -1.829 11.944 -1.858 62 H GLN 23 H GLN 23 -4.792 12.838 -8.266 63 HA GLN 23 HA GLN 23 -4.752 15.600 -7.468 64 HB2 GLN 23 2HB GLN 23 -5.278 16.178 -9.733 65 HB3 GLN 23 1HB GLN 23 -4.208 14.791 -9.835 66 HG2 GLN 23 2HG GLN 23 -6.122 13.346 -10.196 67 HG3 GLN 23 1HG GLN 23 -7.198 14.742 -10.103 68 HE21 GLN 23 1HE2 GLN 23 -5.007 12.957 -12.028 69 HE22 GLN 23 2HE2 GLN 23 -5.212 13.842 -13.486 70 H LEU 24 H LEU 24 -7.029 13.084 -7.481 71 HA LEU 24 HA LEU 24 -9.306 14.772 -7.327 72 HB2 LEU 24 2HB LEU 24 -9.708 12.546 -8.118 73 HB3 LEU 24 1HB LEU 24 -8.953 11.785 -6.747 74 HG LEU 24 HG LEU 24 -11.551 13.338 -6.562 75 HD11 LEU 24 1HD1 LEU 24 -11.809 11.555 -8.194 76 HD12 LEU 24 2HD1 LEU 24 -12.655 11.148 -6.700 77 HD13 LEU 24 3HD1 LEU 24 -11.102 10.400 -7.070 78 HD21 LEU 24 1HD2 LEU 24 -11.893 11.924 -4.589 79 HD22 LEU 24 2HD2 LEU 24 -10.429 12.904 -4.434 80 HD23 LEU 24 3HD2 LEU 24 -10.310 11.193 -4.853 81 H ARG 25 H ARG 25 -7.113 13.292 -4.991 82 HA ARG 25 HA ARG 25 -8.429 14.123 -2.622 83 HB2 ARG 25 2HB ARG 25 -5.587 13.458 -3.218 84 HB3 ARG 25 1HB ARG 25 -5.875 14.444 -1.798 85 HG2 ARG 25 2HG ARG 25 -5.730 12.167 -1.128 86 HG3 ARG 25 1HG ARG 25 -7.403 12.689 -0.957 87 HD2 ARG 25 2HD ARG 25 -7.933 11.693 -3.071 88 HD3 ARG 25 1HD ARG 25 -6.275 11.096 -3.258 89 HE ARG 25 HE ARG 25 -8.403 9.955 -1.785 90 HH11 ARG 25 1HH1 ARG 25 -4.800 10.175 -1.528 91 HH12 ARG 25 2HH1 ARG 25 -4.705 8.684 -0.693 92 HH21 ARG 25 1HH2 ARG 25 -8.055 7.761 -0.879 93 HH22 ARG 25 2HH2 ARG 25 -6.484 7.313 -0.414 94 H GLU 26 H GLU 26 -6.031 15.737 -4.618 95 HA GLU 26 HA GLU 26 -5.453 18.070 -3.411 96 HB2 GLU 26 2HB GLU 26 -4.661 17.294 -5.614 97 HB3 GLU 26 1HB GLU 26 -6.238 17.637 -6.295 98 HG2 GLU 26 2HG GLU 26 -5.742 20.042 -5.394 99 HG3 GLU 26 1HG GLU 26 -4.068 19.481 -5.485 100 H ARG 27 H ARG 27 -8.242 17.432 -5.441 101 HA ARG 27 HA ARG 27 -9.309 20.059 -4.932 102 HB2 ARG 27 2HB ARG 27 -10.227 17.866 -6.771 103 HB3 ARG 27 1HB ARG 27 -10.899 19.507 -6.731 104 HG2 ARG 27 2HG ARG 27 -8.931 20.487 -7.432 105 HG3 ARG 27 1HG ARG 27 -7.966 19.105 -6.964 106 HD2 ARG 27 2HD ARG 27 -9.214 17.900 -8.880 107 HD3 ARG 27 1HD ARG 27 -9.588 19.547 -9.432 108 HE ARG 27 HE ARG 27 -6.985 19.688 -8.807 109 HH11 ARG 27 1HH1 ARG 27 -8.742 17.768 -11.161 110 HH12 ARG 27 2HH1 ARG 27 -7.321 17.189 -11.940 111 HH21 ARG 27 1HH2 ARG 27 -5.127 18.917 -9.746 112 HH22 ARG 27 2HH2 ARG 27 -5.151 17.932 -11.142 113 H LEU 28 H LEU 28 -10.153 16.697 -4.016 114 HA LEU 28 HA LEU 28 -12.655 17.150 -3.063 115 HB2 LEU 28 2HB LEU 28 -11.264 14.959 -3.408 116 HB3 LEU 28 1HB LEU 28 -10.640 15.267 -1.818 117 HG LEU 28 HG LEU 28 -13.506 15.306 -2.243 118 HD11 LEU 28 1HD1 LEU 28 -11.786 12.820 -2.001 119 HD12 LEU 28 2HD1 LEU 28 -12.914 13.220 -3.300 120 HD13 LEU 28 3HD1 LEU 28 -13.522 12.799 -1.701 121 HD21 LEU 28 1HD2 LEU 28 -11.796 14.406 0.072 122 HD22 LEU 28 2HD2 LEU 28 -13.559 14.369 0.069 123 HD23 LEU 28 3HD2 LEU 28 -12.707 15.910 -0.051 124 H ILE 29 H ILE 29 -9.527 17.847 -1.698 125 HA ILE 29 HA ILE 29 -10.394 18.356 0.903 126 HB ILE 29 HB ILE 29 -7.876 19.191 -0.579 127 HG12 ILE 29 2HG1 ILE 29 -8.437 17.170 1.572 128 HG13 ILE 29 1HG1 ILE 29 -8.298 16.805 -0.142 129 HG21 ILE 29 1HG2 ILE 29 -8.455 19.509 2.374 130 HG22 ILE 29 2HG2 ILE 29 -8.275 20.839 1.223 131 HG23 ILE 29 3HG2 ILE 29 -6.903 19.785 1.588 132 HD11 ILE 29 1HD1 ILE 29 -5.938 17.476 -0.052 133 HD12 ILE 29 2HD1 ILE 29 -6.362 16.162 1.054 134 HD13 ILE 29 3HD1 ILE 29 -6.122 17.798 1.687 135 H GLN 30 H GLN 30 -10.332 20.407 -1.937 136 HA GLN 30 HA GLN 30 -11.065 22.717 -0.378 137 HB2 GLN 30 2HB GLN 30 -10.866 22.299 -3.343 138 HB3 GLN 30 1HB GLN 30 -11.575 23.754 -2.666 139 HG2 GLN 30 2HG GLN 30 -9.339 24.258 -3.177 140 HG3 GLN 30 1HG GLN 30 -9.434 24.119 -1.434 141 HE21 GLN 30 1HE2 GLN 30 -8.209 22.680 -4.349 142 HE22 GLN 30 2HE2 GLN 30 -7.178 21.549 -3.540 143 H GLU 31 H GLU 31 -12.666 20.221 -2.118 144 HA GLU 31 HA GLU 31 -15.162 21.295 -2.658 145 HB2 GLU 31 2HB GLU 31 -14.358 18.493 -1.946 146 HB3 GLU 31 1HB GLU 31 -15.978 18.961 -2.459 147 HG2 GLU 31 2HG GLU 31 -13.569 19.566 -4.133 148 HG3 GLU 31 1HG GLU 31 -14.407 18.017 -4.229 149 H LEU 32 H LEU 32 -14.353 19.386 0.322 150 HA LEU 32 HA LEU 32 -16.801 20.408 1.493 151 HB2 LEU 32 2HB LEU 32 -14.773 18.437 2.515 152 HB3 LEU 32 1HB LEU 32 -16.233 18.887 3.365 153 HG LEU 32 HG LEU 32 -17.495 17.931 1.398 154 HD11 LEU 32 1HD1 LEU 32 -14.816 16.750 0.714 155 HD12 LEU 32 2HD1 LEU 32 -15.693 17.954 -0.228 156 HD13 LEU 32 3HD1 LEU 32 -16.366 16.339 -0.028 157 HD21 LEU 32 1HD2 LEU 32 -17.282 16.788 3.522 158 HD22 LEU 32 2HD2 LEU 32 -15.734 16.108 3.017 159 HD23 LEU 32 3HD2 LEU 32 -17.219 15.642 2.187 160 H ASN 33 H ASN 33 -14.015 21.835 1.113 161 HA ASN 33 HA ASN 33 -12.591 23.200 2.215 162 HB2 ASN 33 2HB ASN 33 -14.744 24.469 2.643 163 HB3 ASN 33 1HB ASN 33 -14.891 23.621 4.175 164 HD21 ASN 33 1HD2 ASN 33 -13.415 24.125 5.825 165 HD22 ASN 33 2HD2 ASN 33 -12.524 25.618 5.838 166 H LEU 34 H LEU 34 -11.581 21.167 2.598 167 HA LEU 34 HA LEU 34 -11.462 20.346 5.404 168 HB2 LEU 34 2HB LEU 34 -10.679 18.861 2.874 169 HB3 LEU 34 1HB LEU 34 -10.502 18.233 4.499 170 HG LEU 34 HG LEU 34 -13.137 19.020 3.354 171 HD11 LEU 34 1HD1 LEU 34 -12.172 17.191 1.929 172 HD12 LEU 34 2HD1 LEU 34 -13.560 16.593 2.793 173 HD13 LEU 34 3HD1 LEU 34 -11.941 16.207 3.365 174 HD21 LEU 34 1HD2 LEU 34 -13.113 18.856 5.751 175 HD22 LEU 34 2HD2 LEU 34 -12.393 17.247 5.669 176 HD23 LEU 34 3HD2 LEU 34 -14.036 17.506 5.088 177 H THR 35 H THR 35 -9.090 19.268 5.562 178 HA THR 35 HA THR 35 -7.058 20.965 4.382 179 HB THR 35 HB THR 35 -7.359 20.519 7.396 180 HG1 THR 35 1HG THR 35 -8.476 22.392 5.741 181 HG21 THR 35 1HG2 THR 35 -5.044 20.915 6.667 182 HG22 THR 35 2HG2 THR 35 -5.652 22.286 7.596 183 HG23 THR 35 3HG2 THR 35 -5.554 22.385 5.838 184 HA PRO 36 HA PRO 36 -5.286 16.772 4.264 185 HB2 PRO 36 2HB PRO 36 -2.704 18.042 5.074 186 HB3 PRO 36 1HB PRO 36 -3.036 16.973 3.694 187 HG2 PRO 36 2HG PRO 36 -2.679 19.538 3.279 188 HG3 PRO 36 1HG PRO 36 -3.946 18.652 2.407 189 HD2 PRO 36 2HD PRO 36 -4.221 20.551 4.688 190 HD3 PRO 36 1HD PRO 36 -5.269 20.317 3.274 191 H GLN 37 H GLN 37 -4.540 18.847 6.998 192 HA GLN 37 HA GLN 37 -3.903 16.716 8.771 193 HB2 GLN 37 2HB GLN 37 -4.694 19.580 9.370 194 HB3 GLN 37 1HB GLN 37 -4.186 18.432 10.592 195 HG2 GLN 37 2HG GLN 37 -2.264 19.667 10.222 196 HG3 GLN 37 1HG GLN 37 -2.007 18.257 9.210 197 HE21 GLN 37 1HE2 GLN 37 -0.827 20.889 9.071 198 HE22 GLN 37 2HE2 GLN 37 -1.177 21.507 7.494 199 H GLN 38 H GLN 38 -6.810 17.771 7.484 200 HA GLN 38 HA GLN 38 -8.439 16.714 9.667 201 HB2 GLN 38 2HB GLN 38 -9.198 18.885 8.830 202 HB3 GLN 38 1HB GLN 38 -9.123 18.311 7.174 203 HG2 GLN 38 2HG GLN 38 -11.380 18.372 7.827 204 HG3 GLN 38 1HG GLN 38 -10.822 16.706 7.639 205 HE21 GLN 38 1HE2 GLN 38 -10.698 15.363 9.459 206 HE22 GLN 38 2HE2 GLN 38 -11.409 15.807 10.972 207 H LEU 39 H LEU 39 -7.583 16.377 6.286 208 HA LEU 39 HA LEU 39 -9.288 14.040 6.144 209 HB2 LEU 39 2HB LEU 39 -9.984 15.774 4.635 210 HB3 LEU 39 1HB LEU 39 -8.377 15.878 3.948 211 HG LEU 39 HG LEU 39 -8.622 13.511 3.278 212 HD11 LEU 39 1HD1 LEU 39 -10.852 12.576 3.016 213 HD12 LEU 39 2HD1 LEU 39 -11.516 13.941 3.925 214 HD13 LEU 39 3HD1 LEU 39 -10.395 12.814 4.699 215 HD21 LEU 39 1HD2 LEU 39 -10.399 15.606 2.035 216 HD22 LEU 39 2HD2 LEU 39 -10.066 14.064 1.277 217 HD23 LEU 39 3HD2 LEU 39 -8.742 15.180 1.598 218 H HIS 40 H HIS 40 -7.875 12.599 6.875 219 HA HIS 40 HA HIS 40 -5.724 11.928 5.038 220 HB2 HIS 40 2HB HIS 40 -5.106 11.916 7.484 221 HB3 HIS 40 1HB HIS 40 -6.373 10.733 7.776 222 HD1 HIS 40 HD1 HIS 40 -5.377 8.528 8.112 223 HD2 HIS 40 HD2 HIS 40 -3.271 10.705 5.287 224 HE1 HIS 40 HE1 HIS 40 -3.644 6.959 7.205 225 H GLU 41 H GLU 41 -5.804 9.358 4.587 226 HA GLU 41 HA GLU 41 -8.372 9.336 3.432 227 HB2 GLU 41 2HB GLU 41 -7.650 7.431 2.011 228 HB3 GLU 41 1HB GLU 41 -6.792 8.940 1.825 229 HG2 GLU 41 2HG GLU 41 -4.927 7.971 3.122 230 HG3 GLU 41 1HG GLU 41 -5.816 6.439 3.183 231 H GLU 42 H GLU 42 -7.768 8.151 6.340 232 HA GLU 42 HA GLU 42 -9.454 5.770 5.941 233 HB2 GLU 42 2HB GLU 42 -8.777 5.038 8.105 234 HB3 GLU 42 1HB GLU 42 -7.353 5.810 7.476 235 HG2 GLU 42 2HG GLU 42 -9.284 7.182 9.334 236 HG3 GLU 42 1HG GLU 42 -7.837 6.333 9.860 237 H SER 43 H SER 43 -9.669 8.994 6.504 238 HA SER 43 HA SER 43 -11.746 9.160 8.365 239 HB2 SER 43 2HB SER 43 -10.883 11.100 6.221 240 HB3 SER 43 1HB SER 43 -11.881 11.486 7.624 241 HG SER 43 HG SER 43 -9.321 10.294 8.034 242 H ASN 44 H ASN 44 -13.866 9.066 8.158 243 HA ASN 44 HA ASN 44 -14.994 7.989 5.748 244 HB2 ASN 44 2HB ASN 44 -15.733 7.129 7.948 245 HB3 ASN 44 1HB ASN 44 -16.365 8.713 8.358 246 HD21 ASN 44 1HD2 ASN 44 -17.627 6.001 8.096 247 HD22 ASN 44 2HD2 ASN 44 -18.962 6.257 7.038 248 H LEU 45 H LEU 45 -15.606 9.081 4.178 249 HA LEU 45 HA LEU 45 -15.728 11.909 4.200 250 HB2 LEU 45 2HB LEU 45 -16.253 9.897 2.054 251 HB3 LEU 45 1HB LEU 45 -16.380 11.623 1.786 252 HG LEU 45 HG LEU 45 -13.806 10.198 2.626 253 HD11 LEU 45 1HD1 LEU 45 -13.058 10.660 0.463 254 HD12 LEU 45 2HD1 LEU 45 -14.632 11.300 -0.003 255 HD13 LEU 45 3HD1 LEU 45 -14.456 9.593 0.435 256 HD21 LEU 45 1HD2 LEU 45 -13.921 12.520 3.441 257 HD22 LEU 45 2HD2 LEU 45 -14.366 13.064 1.826 258 HD23 LEU 45 3HD2 LEU 45 -12.785 12.353 2.103 259 H ILE 46 H ILE 46 -18.267 9.503 4.352 260 HA ILE 46 HA ILE 46 -20.300 11.373 3.576 261 HB ILE 46 HB ILE 46 -20.528 8.683 4.969 262 HG12 ILE 46 2HG1 ILE 46 -19.772 8.542 2.659 263 HG13 ILE 46 1HG1 ILE 46 -21.392 7.876 2.814 264 HG21 ILE 46 1HG2 ILE 46 -22.789 10.398 3.944 265 HG22 ILE 46 2HG2 ILE 46 -22.443 10.027 5.632 266 HG23 ILE 46 3HG2 ILE 46 -22.943 8.741 4.531 267 HD11 ILE 46 1HD1 ILE 46 -20.636 10.562 1.684 268 HD12 ILE 46 2HD1 ILE 46 -22.287 9.975 1.895 269 HD13 ILE 46 3HD1 ILE 46 -21.190 9.143 0.788 270 H GLN 47 H GLN 47 -18.817 10.402 6.543 271 HA GLN 47 HA GLN 47 -20.673 11.884 8.180 272 HB2 GLN 47 2HB GLN 47 -17.992 10.688 8.914 273 HB3 GLN 47 1HB GLN 47 -19.112 11.416 10.055 274 HG2 GLN 47 2HG GLN 47 -20.793 9.689 9.384 275 HG3 GLN 47 1HG GLN 47 -19.521 8.931 8.423 276 HE21 GLN 47 1HE2 GLN 47 -17.832 7.912 9.465 277 HE22 GLN 47 2HE2 GLN 47 -17.916 7.508 11.157 278 H ALA 48 H ALA 48 -18.019 12.632 6.286 279 HA ALA 48 HA ALA 48 -17.368 15.078 7.699 280 HB1 ALA 48 1HB ALA 48 -15.566 13.830 6.578 281 HB2 ALA 48 2HB ALA 48 -15.753 15.438 5.877 282 HB3 ALA 48 3HB ALA 48 -16.392 14.029 5.032 283 H GLY 49 H GLY 49 -19.668 13.966 5.581 284 HA2 GLY 49 2HA GLY 49 -21.495 15.124 4.845 285 HA3 GLY 49 1HA GLY 49 -20.660 16.642 5.151 286 H LEU 50 H LEU 50 -19.461 13.963 3.159 287 HA LEU 50 HA LEU 50 -19.179 15.717 0.846 288 HB2 LEU 50 2HB LEU 50 -17.703 13.617 1.682 289 HB3 LEU 50 1HB LEU 50 -18.908 12.753 0.746 290 HG LEU 50 HG LEU 50 -17.816 14.977 -0.727 291 HD11 LEU 50 1HD1 LEU 50 -15.767 14.441 0.580 292 HD12 LEU 50 2HD1 LEU 50 -15.602 13.944 -1.098 293 HD13 LEU 50 3HD1 LEU 50 -15.966 12.746 0.138 294 HD21 LEU 50 1HD2 LEU 50 -17.939 12.011 -1.191 295 HD22 LEU 50 2HD2 LEU 50 -17.548 13.220 -2.414 296 HD23 LEU 50 3HD2 LEU 50 -19.161 13.182 -1.692 297 H ASP 51 H ASP 51 -20.832 16.355 -0.057 298 HA ASP 51 HA ASP 51 -23.313 15.079 -0.039 299 HB2 ASP 51 2HB ASP 51 -24.035 16.793 -1.623 300 HB3 ASP 51 1HB ASP 51 -23.083 17.510 -0.332 301 H SER 52 H SER 52 -24.526 14.321 -1.829 302 HA SER 52 HA SER 52 -23.140 12.336 -3.180 303 HB2 SER 52 2HB SER 52 -25.964 13.245 -3.639 304 HB3 SER 52 1HB SER 52 -25.185 11.725 -4.131 305 HG SER 52 HG SER 52 -25.221 10.998 -2.176 306 H ILE 53 H ILE 53 -23.515 15.658 -4.121 307 HA ILE 53 HA ILE 53 -23.443 14.883 -6.895 308 HB ILE 53 HB ILE 53 -22.942 17.680 -5.817 309 HG12 ILE 53 2HG1 ILE 53 -25.243 16.954 -5.270 310 HG13 ILE 53 1HG1 ILE 53 -25.266 18.185 -6.524 311 HG21 ILE 53 1HG2 ILE 53 -22.005 17.145 -8.097 312 HG22 ILE 53 2HG2 ILE 53 -23.257 18.382 -8.177 313 HG23 ILE 53 3HG2 ILE 53 -23.611 16.715 -8.628 314 HD11 ILE 53 1HD1 ILE 53 -25.611 15.215 -6.942 315 HD12 ILE 53 2HD1 ILE 53 -25.614 16.434 -8.213 316 HD13 ILE 53 3HD1 ILE 53 -26.883 16.435 -6.990 317 H ARG 54 H ARG 54 -21.256 16.066 -4.371 318 HA ARG 54 HA ARG 54 -18.919 16.111 -5.908 319 HB2 ARG 54 2HB ARG 54 -19.592 15.735 -3.072 320 HB3 ARG 54 1HB ARG 54 -18.064 15.022 -3.547 321 HG2 ARG 54 2HG ARG 54 -17.773 17.249 -2.692 322 HG3 ARG 54 1HG ARG 54 -17.324 17.162 -4.392 323 HD2 ARG 54 2HD ARG 54 -19.540 18.073 -4.976 324 HD3 ARG 54 1HD ARG 54 -19.881 18.253 -3.251 325 HE ARG 54 HE ARG 54 -17.655 19.518 -4.641 326 HH11 ARG 54 1HH1 ARG 54 -20.268 19.634 -2.236 327 HH12 ARG 54 2HH1 ARG 54 -19.861 21.175 -1.654 328 HH21 ARG 54 1HH2 ARG 54 -17.056 21.556 -3.885 329 HH22 ARG 54 2HH2 ARG 54 -17.901 22.338 -2.613 330 H LEU 55 H LEU 55 -20.509 13.583 -4.211 331 HA LEU 55 HA LEU 55 -18.816 11.458 -4.710 332 HB2 LEU 55 2HB LEU 55 -21.122 11.906 -3.275 333 HB3 LEU 55 1HB LEU 55 -21.726 11.036 -4.626 334 HG LEU 55 HG LEU 55 -20.760 9.016 -4.022 335 HD11 LEU 55 1HD1 LEU 55 -18.423 9.794 -3.810 336 HD12 LEU 55 2HD1 LEU 55 -18.902 8.868 -2.388 337 HD13 LEU 55 3HD1 LEU 55 -18.848 10.627 -2.323 338 HD21 LEU 55 1HD2 LEU 55 -21.179 8.741 -1.669 339 HD22 LEU 55 2HD2 LEU 55 -22.413 9.790 -2.377 340 HD23 LEU 55 3HD2 LEU 55 -21.091 10.482 -1.428 341 H MET 56 H MET 56 -21.585 12.704 -6.560 342 HA MET 56 HA MET 56 -21.490 10.664 -8.560 343 HB2 MET 56 2HB MET 56 -23.578 11.863 -7.963 344 HB3 MET 56 1HB MET 56 -22.891 13.338 -8.616 345 HG2 MET 56 2HG MET 56 -24.426 12.357 -10.201 346 HG3 MET 56 1HG MET 56 -22.778 12.313 -10.829 347 HE1 MET 56 HE1 MET 56 -25.038 8.639 -9.174 348 HE2 MET 56 HE2 MET 56 -25.724 10.263 -9.274 349 HE3 MET 56 HE3 MET 56 -24.428 9.921 -8.130 350 H ARG 57 H ARG 57 -20.182 13.924 -8.235 351 HA ARG 57 HA ARG 57 -19.542 14.204 -10.864 352 HB2 ARG 57 2HB ARG 57 -18.166 15.512 -8.504 353 HB3 ARG 57 1HB ARG 57 -17.771 15.909 -10.170 354 HG2 ARG 57 2HG ARG 57 -20.362 16.285 -10.353 355 HG3 ARG 57 1HG ARG 57 -20.222 16.451 -8.608 356 HD2 ARG 57 2HD ARG 57 -18.702 18.078 -10.658 357 HD3 ARG 57 1HD ARG 57 -20.122 18.624 -9.788 358 HE ARG 57 HE ARG 57 -18.078 17.893 -7.965 359 HH11 ARG 57 1HH1 ARG 57 -18.945 20.436 -10.275 360 HH12 ARG 57 2HH1 ARG 57 -18.040 21.659 -9.501 361 HH21 ARG 57 1HH2 ARG 57 -16.812 19.600 -6.891 362 HH22 ARG 57 2HH2 ARG 57 -16.788 21.148 -7.497 363 H TRP 58 H TRP 58 -17.800 12.914 -8.083 364 HA TRP 58 HA TRP 58 -15.377 12.329 -9.351 365 HB2 TRP 58 2HB TRP 58 -16.604 11.090 -6.895 366 HB3 TRP 58 1HB TRP 58 -14.974 10.759 -7.454 367 HD1 TRP 58 HD1 TRP 58 -16.291 12.414 -4.750 368 HE1 TRP 58 HE1 TRP 58 -15.037 14.487 -4.037 369 HE3 TRP 58 HE3 TRP 58 -13.731 13.340 -9.117 370 HZ2 TRP 58 HZ2 TRP 58 -13.131 16.335 -5.192 371 HZ3 TRP 58 HZ3 TRP 58 -12.249 15.277 -9.206 372 HH2 TRP 58 HH2 TRP 58 -11.966 16.744 -7.286 373 H LEU 59 H LEU 59 -18.316 10.439 -8.977 374 HA LEU 59 HA LEU 59 -17.432 7.957 -9.860 375 HB2 LEU 59 2HB LEU 59 -19.706 8.334 -9.015 376 HB3 LEU 59 1HB LEU 59 -20.080 9.283 -10.440 377 HG LEU 59 HG LEU 59 -19.782 7.295 -11.831 378 HD11 LEU 59 1HD1 LEU 59 -18.278 5.994 -10.480 379 HD12 LEU 59 2HD1 LEU 59 -19.745 5.065 -10.784 380 HD13 LEU 59 3HD1 LEU 59 -19.493 5.829 -9.216 381 HD21 LEU 59 1HD2 LEU 59 -21.866 6.163 -11.150 382 HD22 LEU 59 2HD2 LEU 59 -21.998 7.919 -11.156 383 HD23 LEU 59 3HD2 LEU 59 -21.831 7.059 -9.629 384 H HIS 60 H HIS 60 -18.207 10.790 -11.723 385 HA HIS 60 HA HIS 60 -17.872 9.419 -14.235 386 HB2 HIS 60 2HB HIS 60 -18.341 12.331 -13.568 387 HB3 HIS 60 1HB HIS 60 -18.139 11.739 -15.218 388 HD1 HIS 60 HD1 HIS 60 -20.600 11.597 -12.308 389 HD2 HIS 60 HD2 HIS 60 -20.286 10.391 -16.284 390 HE1 HIS 60 HE1 HIS 60 -22.872 10.781 -12.976 391 H TRP 61 H TRP 61 -16.049 11.529 -12.164 392 HA TRP 61 HA TRP 61 -13.866 12.074 -13.816 393 HB2 TRP 61 2HB TRP 61 -14.338 13.255 -11.688 394 HB3 TRP 61 1HB TRP 61 -13.963 11.782 -10.806 395 HD1 TRP 61 HD1 TRP 61 -12.325 14.761 -12.464 396 HE1 TRP 61 HE1 TRP 61 -9.795 14.692 -12.016 397 HE3 TRP 61 HE3 TRP 61 -11.977 10.105 -10.392 398 HZ2 TRP 61 HZ2 TRP 61 -7.936 12.924 -10.942 399 HZ3 TRP 61 HZ3 TRP 61 -9.772 9.307 -9.679 400 HH2 TRP 61 HH2 TRP 61 -7.792 10.707 -9.965 401 H PHE 62 H PHE 62 -14.470 9.368 -11.609 402 HA PHE 62 HA PHE 62 -11.973 8.088 -11.862 403 HB2 PHE 62 2HB PHE 62 -14.706 7.002 -11.267 404 HB3 PHE 62 1HB PHE 62 -13.292 5.968 -11.336 405 HD1 PHE 62 HD1 PHE 62 -15.339 7.865 -9.252 406 HD2 PHE 62 HD2 PHE 62 -11.307 6.791 -9.920 407 HE1 PHE 62 HE1 PHE 62 -14.841 8.347 -6.898 408 HE2 PHE 62 HE2 PHE 62 -10.792 7.267 -7.565 409 HZ PHE 62 HZ PHE 62 -12.543 8.031 -6.062 410 H ARG 63 H ARG 63 -14.951 7.565 -13.551 411 HA ARG 63 HA ARG 63 -13.894 5.469 -15.079 412 HB2 ARG 63 2HB ARG 63 -16.541 6.900 -15.326 413 HB3 ARG 63 1HB ARG 63 -16.066 5.467 -16.255 414 HG2 ARG 63 2HG ARG 63 -15.901 4.158 -14.277 415 HG3 ARG 63 1HG ARG 63 -16.184 5.573 -13.263 416 HD2 ARG 63 2HD ARG 63 -18.144 4.467 -15.272 417 HD3 ARG 63 1HD ARG 63 -18.198 4.158 -13.536 418 HE ARG 63 HE ARG 63 -18.192 6.775 -13.536 419 HH11 ARG 63 1HH1 ARG 63 -20.102 4.588 -15.565 420 HH12 ARG 63 2HH1 ARG 63 -21.444 5.626 -15.722 421 HH21 ARG 63 1HH2 ARG 63 -20.047 8.234 -13.737 422 HH22 ARG 63 2HH2 ARG 63 -21.396 7.801 -14.650 423 H LYS 64 H LYS 64 -13.558 8.792 -15.503 424 HA LYS 64 HA LYS 64 -13.470 9.163 -18.272 425 HB2 LYS 64 2HB LYS 64 -12.123 11.073 -17.908 426 HB3 LYS 64 1HB LYS 64 -13.040 10.920 -16.419 427 HG2 LYS 64 2HG LYS 64 -11.104 9.850 -15.351 428 HG3 LYS 64 1HG LYS 64 -10.193 10.023 -16.845 429 HD2 LYS 64 2HD LYS 64 -10.499 12.495 -16.646 430 HD3 LYS 64 1HD LYS 64 -11.234 12.218 -15.063 431 HE2 LYS 64 2HE LYS 64 -8.490 11.362 -15.899 432 HE3 LYS 64 1HE LYS 64 -8.830 12.781 -14.896 433 HZ1 LYS 64 1HZ LYS 64 -9.735 11.213 -13.191 434 HZ2 LYS 64 2HZ LYS 64 -8.123 10.850 -13.541 435 HZ3 LYS 64 3HZ LYS 64 -9.319 9.916 -14.174 436 H ASN 65 H ASN 65 -11.171 7.531 -16.182 437 HA ASN 65 HA ASN 65 -9.420 7.028 -18.507 438 HB2 ASN 65 2HB ASN 65 -8.766 6.800 -15.550 439 HB3 ASN 65 1HB ASN 65 -7.682 6.328 -16.843 440 HD21 ASN 65 1HD2 ASN 65 -7.208 8.226 -14.748 441 HD22 ASN 65 2HD2 ASN 65 -6.869 9.719 -15.508 442 H GLY 66 H GLY 66 -11.951 5.720 -17.329 443 HA2 GLY 66 2HA GLY 66 -12.772 3.580 -17.437 444 HA3 GLY 66 1HA GLY 66 -11.175 3.041 -17.933 445 H TYR 67 H TYR 67 -11.804 4.807 -14.931 446 HA TYR 67 HA TYR 67 -10.666 2.610 -13.539 447 HB2 TYR 67 2HB TYR 67 -11.637 5.259 -12.554 448 HB3 TYR 67 1HB TYR 67 -11.234 3.963 -11.421 449 HD1 TYR 67 HD1 TYR 67 -8.977 2.787 -11.874 450 HD2 TYR 67 HD2 TYR 67 -9.954 6.686 -13.188 451 HE1 TYR 67 HE1 TYR 67 -6.608 3.276 -12.085 452 HE2 TYR 67 HE2 TYR 67 -7.554 7.204 -13.425 453 HH TYR 67 HH TYR 67 -5.367 6.351 -12.468 454 H ARG 68 H ARG 68 -11.497 1.514 -11.839 455 HA ARG 68 HA ARG 68 -14.174 0.658 -12.646 456 HB2 ARG 68 2HB ARG 68 -12.315 -0.989 -12.955 457 HB3 ARG 68 1HB ARG 68 -12.043 -0.944 -11.223 458 HG2 ARG 68 2HG ARG 68 -14.786 -1.475 -11.729 459 HG3 ARG 68 1HG ARG 68 -13.802 -2.596 -12.672 460 HD2 ARG 68 2HD ARG 68 -14.326 -3.590 -10.493 461 HD3 ARG 68 1HD ARG 68 -12.603 -3.225 -10.593 462 HE ARG 68 HE ARG 68 -13.050 -1.245 -9.231 463 HH11 ARG 68 1HH1 ARG 68 -15.517 -3.847 -9.005 464 HH12 ARG 68 2HH1 ARG 68 -16.113 -3.169 -7.532 465 HH21 ARG 68 1HH2 ARG 68 -13.990 -0.510 -7.251 466 HH22 ARG 68 2HH2 ARG 68 -15.320 -1.401 -6.591 467 H LEU 69 H LEU 69 -15.469 1.867 -11.294 468 HA LEU 69 HA LEU 69 -15.931 0.449 -8.944 469 HB2 LEU 69 2HB LEU 69 -15.809 2.312 -7.280 470 HB3 LEU 69 1HB LEU 69 -14.262 1.739 -7.842 471 HG LEU 69 HG LEU 69 -14.292 3.782 -9.403 472 HD11 LEU 69 1HD1 LEU 69 -15.573 5.698 -8.596 473 HD12 LEU 69 2HD1 LEU 69 -16.405 4.650 -7.445 474 HD13 LEU 69 3HD1 LEU 69 -16.613 4.398 -9.177 475 HD21 LEU 69 1HD2 LEU 69 -13.382 5.203 -7.628 476 HD22 LEU 69 2HD2 LEU 69 -12.798 3.543 -7.518 477 HD23 LEU 69 3HD2 LEU 69 -14.051 4.109 -6.418 478 H THR 70 H THR 70 -17.969 0.636 -8.196 479 HA THR 70 HA THR 70 -19.590 2.556 -9.667 480 HB THR 70 HB THR 70 -21.566 1.304 -8.812 481 HG1 THR 70 1HG THR 70 -19.565 -0.243 -7.553 482 HG21 THR 70 1HG2 THR 70 -20.612 0.584 -10.945 483 HG22 THR 70 2HG2 THR 70 -21.260 -0.798 -10.060 484 HG23 THR 70 3HG2 THR 70 -19.520 -0.511 -10.098 485 H LEU 71 H LEU 71 -20.851 4.046 -8.472 486 HA LEU 71 HA LEU 71 -19.529 5.073 -6.224 487 HB2 LEU 71 2HB LEU 71 -21.166 6.154 -7.952 488 HB3 LEU 71 1HB LEU 71 -22.317 5.565 -6.754 489 HG LEU 71 HG LEU 71 -21.522 6.980 -5.059 490 HD11 LEU 71 1HD1 LEU 71 -19.573 8.521 -5.581 491 HD12 LEU 71 2HD1 LEU 71 -19.339 7.475 -7.013 492 HD13 LEU 71 3HD1 LEU 71 -19.267 6.796 -5.401 493 HD21 LEU 71 1HD2 LEU 71 -23.055 8.032 -6.672 494 HD22 LEU 71 2HD2 LEU 71 -21.677 8.533 -7.649 495 HD23 LEU 71 3HD2 LEU 71 -21.897 9.198 -6.034 496 H ARG 72 H ARG 72 -22.072 2.873 -6.629 497 HA ARG 72 HA ARG 72 -23.433 2.546 -4.267 498 HB2 ARG 72 2HB ARG 72 -23.863 1.195 -6.180 499 HB3 ARG 72 1HB ARG 72 -22.219 0.593 -6.200 500 HG2 ARG 72 2HG ARG 72 -22.772 -0.506 -3.966 501 HG3 ARG 72 1HG ARG 72 -24.459 -0.140 -4.341 502 HD2 ARG 72 2HD ARG 72 -23.836 -2.411 -5.057 503 HD3 ARG 72 1HD ARG 72 -24.293 -1.393 -6.424 504 HE ARG 72 HE ARG 72 -21.719 -1.041 -6.581 505 HH11 ARG 72 1HH1 ARG 72 -23.289 -4.104 -5.779 506 HH12 ARG 72 2HH1 ARG 72 -22.025 -5.076 -6.377 507 HH21 ARG 72 1HH2 ARG 72 -19.987 -2.321 -7.385 508 HH22 ARG 72 2HH2 ARG 72 -20.060 -4.011 -7.331 509 H GLU 73 H GLU 73 -20.143 1.805 -5.051 510 HA GLU 73 HA GLU 73 -19.669 0.142 -2.700 511 HB2 GLU 73 2HB GLU 73 -17.831 1.068 -4.913 512 HB3 GLU 73 1HB GLU 73 -17.362 -0.035 -3.622 513 HG2 GLU 73 2HG GLU 73 -18.856 -1.695 -4.365 514 HG3 GLU 73 1HG GLU 73 -19.666 -0.538 -5.427 515 H LEU 74 H LEU 74 -19.194 3.336 -3.769 516 HA LEU 74 HA LEU 74 -17.299 4.028 -1.701 517 HB2 LEU 74 2HB LEU 74 -18.811 5.914 -3.507 518 HB3 LEU 74 1HB LEU 74 -17.385 6.291 -2.564 519 HG LEU 74 HG LEU 74 -17.571 4.590 -5.040 520 HD11 LEU 74 1HD1 LEU 74 -15.895 6.135 -5.900 521 HD12 LEU 74 2HD1 LEU 74 -15.955 7.031 -4.386 522 HD13 LEU 74 3HD1 LEU 74 -17.371 6.975 -5.426 523 HD21 LEU 74 1HD2 LEU 74 -15.190 4.086 -4.783 524 HD22 LEU 74 2HD2 LEU 74 -16.146 3.406 -3.468 525 HD23 LEU 74 3HD2 LEU 74 -15.196 4.870 -3.203 526 H TYR 75 H TYR 75 -20.697 3.993 -2.065 527 HA TYR 75 HA TYR 75 -21.233 5.565 0.288 528 HB2 TYR 75 2HB TYR 75 -22.919 3.750 -1.419 529 HB3 TYR 75 1HB TYR 75 -23.518 4.331 0.126 530 HD1 TYR 75 HD1 TYR 75 -24.092 6.681 0.413 531 HD2 TYR 75 HD2 TYR 75 -22.741 5.211 -3.338 532 HE1 TYR 75 HE1 TYR 75 -24.972 8.697 -0.681 533 HE2 TYR 75 HE2 TYR 75 -23.601 7.222 -4.445 534 HH TYR 75 HH TYR 75 -25.327 8.940 -4.027 535 H ALA 76 H ALA 76 -20.707 2.214 -0.499 536 HA ALA 76 HA ALA 76 -21.566 1.118 1.975 537 HB1 ALA 76 1HB ALA 76 -19.681 -0.049 -0.079 538 HB2 ALA 76 2HB ALA 76 -21.436 -0.223 -0.080 539 HB3 ALA 76 3HB ALA 76 -20.479 -0.940 1.217 540 H ALA 77 H ALA 77 -18.374 1.917 0.657 541 HA ALA 77 HA ALA 77 -17.441 2.061 3.421 542 HB1 ALA 77 1HB ALA 77 -16.451 0.081 2.349 543 HB2 ALA 77 2HB ALA 77 -15.226 1.304 2.694 544 HB3 ALA 77 3HB ALA 77 -15.828 1.100 1.050 545 HA PRO 78 HA PRO 78 -16.759 5.995 1.357 546 HB2 PRO 78 2HB PRO 78 -17.890 7.540 3.332 547 HB3 PRO 78 1HB PRO 78 -18.761 6.867 1.937 548 HG2 PRO 78 2HG PRO 78 -19.082 6.168 4.688 549 HG3 PRO 78 1HG PRO 78 -19.949 5.536 3.279 550 HD2 PRO 78 2HD PRO 78 -17.719 4.340 4.767 551 HD3 PRO 78 1HD PRO 78 -18.891 3.582 3.667 552 H THR 79 H THR 79 -14.562 5.574 1.797 553 HA THR 79 HA THR 79 -13.426 7.508 3.621 554 HB THR 79 HB THR 79 -11.596 5.776 4.110 555 HG1 THR 79 1HG THR 79 -13.590 3.848 3.573 556 HG21 THR 79 1HG2 THR 79 -12.746 4.750 6.000 557 HG22 THR 79 2HG2 THR 79 -14.311 5.197 5.296 558 HG23 THR 79 3HG2 THR 79 -13.189 6.451 5.835 559 H LEU 80 H LEU 80 -11.509 8.308 2.619 560 HA LEU 80 HA LEU 80 -11.490 8.252 -0.116 561 HB2 LEU 80 2HB LEU 80 -9.268 8.760 1.749 562 HB3 LEU 80 1HB LEU 80 -9.108 8.868 0.006 563 HG LEU 80 HG LEU 80 -10.963 10.586 1.657 564 HD11 LEU 80 1HD1 LEU 80 -8.604 10.985 2.126 565 HD12 LEU 80 2HD1 LEU 80 -9.251 12.298 1.114 566 HD13 LEU 80 3HD1 LEU 80 -8.291 10.998 0.392 567 HD21 LEU 80 1HD2 LEU 80 -11.592 10.190 -0.752 568 HD22 LEU 80 2HD2 LEU 80 -10.017 10.847 -1.196 569 HD23 LEU 80 3HD2 LEU 80 -11.187 11.855 -0.345 570 H ALA 81 H ALA 81 -9.664 6.343 2.196 571 HA ALA 81 HA ALA 81 -7.830 5.035 0.575 572 HB1 ALA 81 1HB ALA 81 -9.164 3.919 3.036 573 HB2 ALA 81 2HB ALA 81 -7.765 4.991 3.028 574 HB3 ALA 81 3HB ALA 81 -7.641 3.373 2.334 575 H ALA 82 H ALA 82 -11.184 4.151 1.282 576 HA ALA 82 HA ALA 82 -11.052 1.626 -0.029 577 HB1 ALA 82 1HB ALA 82 -12.781 2.169 1.636 578 HB2 ALA 82 2HB ALA 82 -13.473 1.634 0.102 579 HB3 ALA 82 3HB ALA 82 -13.466 3.347 0.519 580 H TRP 83 H TRP 83 -11.982 4.864 -1.128 581 HA TRP 83 HA TRP 83 -12.905 4.065 -3.704 582 HB2 TRP 83 2HB TRP 83 -11.468 6.723 -3.192 583 HB3 TRP 83 1HB TRP 83 -12.634 6.331 -4.444 584 HD1 TRP 83 HD1 TRP 83 -13.818 5.332 -1.049 585 HE1 TRP 83 HE1 TRP 83 -15.666 6.966 -0.307 586 HE3 TRP 83 HE3 TRP 83 -13.147 8.945 -4.560 587 HZ2 TRP 83 HZ2 TRP 83 -16.668 9.466 -1.100 588 HZ3 TRP 83 HZ3 TRP 83 -14.561 10.927 -4.497 589 HH2 TRP 83 HH2 TRP 83 -16.285 11.191 -2.802 590 H ASN 84 H ASN 84 -9.822 5.101 -2.457 591 HA ASN 84 HA ASN 84 -8.153 4.955 -4.684 592 HB2 ASN 84 2HB ASN 84 -7.461 6.010 -2.597 593 HB3 ASN 84 1HB ASN 84 -7.620 4.497 -1.734 594 HD21 ASN 84 1HD2 ASN 84 -5.440 4.967 -0.980 595 HD22 ASN 84 2HD2 ASN 84 -4.121 4.571 -2.008 596 H GLN 85 H GLN 85 -8.727 2.521 -2.196 597 HA GLN 85 HA GLN 85 -7.267 0.460 -3.349 598 HB2 GLN 85 2HB GLN 85 -7.760 0.288 -1.117 599 HB3 GLN 85 1HB GLN 85 -9.481 0.578 -1.344 600 HG2 GLN 85 2HG GLN 85 -9.759 -1.572 -2.284 601 HG3 GLN 85 1HG GLN 85 -8.017 -1.920 -2.214 602 HE21 GLN 85 1HE2 GLN 85 -8.284 -3.697 -0.896 603 HE22 GLN 85 2HE2 GLN 85 -8.816 -3.567 0.751 604 H LEU 86 H LEU 86 -10.734 1.159 -3.631 605 HA LEU 86 HA LEU 86 -11.447 -1.105 -5.084 606 HB2 LEU 86 2HB LEU 86 -12.683 1.612 -4.979 607 HB3 LEU 86 1HB LEU 86 -13.410 0.261 -5.823 608 HG LEU 86 HG LEU 86 -12.801 0.329 -2.869 609 HD11 LEU 86 1HD1 LEU 86 -15.358 0.578 -4.378 610 HD12 LEU 86 2HD1 LEU 86 -14.537 1.860 -3.470 611 HD13 LEU 86 3HD1 LEU 86 -15.214 0.462 -2.618 612 HD21 LEU 86 1HD2 LEU 86 -14.272 -1.702 -4.551 613 HD22 LEU 86 2HD2 LEU 86 -14.191 -1.699 -2.793 614 HD23 LEU 86 3HD2 LEU 86 -12.724 -1.948 -3.734 615 H MET 87 H MET 87 -10.185 1.962 -6.201 616 HA MET 87 HA MET 87 -10.549 1.170 -8.944 617 HB2 MET 87 2HB MET 87 -9.437 3.268 -9.562 618 HB3 MET 87 1HB MET 87 -10.728 3.571 -8.405 619 HG2 MET 87 2HG MET 87 -8.869 3.546 -6.646 620 HG3 MET 87 1HG MET 87 -7.760 3.662 -8.005 621 HE1 MET 87 HE1 MET 87 -8.968 7.140 -9.508 622 HE2 MET 87 HE2 MET 87 -9.418 5.485 -10.020 623 HE3 MET 87 HE3 MET 87 -7.731 5.899 -9.696 624 H LEU 88 H LEU 88 -7.756 1.474 -6.697 625 HA LEU 88 HA LEU 88 -5.866 0.730 -8.637 626 HB2 LEU 88 2HB LEU 88 -5.483 2.071 -6.612 627 HB3 LEU 88 1HB LEU 88 -5.623 0.606 -5.650 628 HG LEU 88 HG LEU 88 -3.690 -0.204 -6.996 629 HD11 LEU 88 1HD1 LEU 88 -3.799 1.109 -8.932 630 HD12 LEU 88 2HD1 LEU 88 -2.330 1.585 -8.058 631 HD13 LEU 88 3HD1 LEU 88 -3.759 2.598 -7.999 632 HD21 LEU 88 1HD2 LEU 88 -3.499 0.645 -4.767 633 HD22 LEU 88 2HD2 LEU 88 -3.400 2.290 -5.420 634 HD23 LEU 88 3HD2 LEU 88 -2.100 1.120 -5.749 635 H SER 89 H SER 89 -8.038 -1.216 -6.812 636 HA SER 89 HA SER 89 -6.481 -3.556 -6.683 637 HB2 SER 89 2HB SER 89 -9.488 -3.306 -7.009 638 HB3 SER 89 1HB SER 89 -8.648 -4.797 -6.584 639 HG SER 89 HG SER 89 -8.620 -2.375 -5.090 640 H ARG 90 H ARG 90 -8.031 -2.018 -9.330 641 HA ARG 90 HA ARG 90 -6.860 -4.030 -11.036 642 HB2 ARG 90 2HB ARG 90 -9.699 -3.194 -11.097 643 HB3 ARG 90 1HB ARG 90 -8.901 -3.558 -12.623 644 HG2 ARG 90 2HG ARG 90 -8.736 -5.464 -10.328 645 HG3 ARG 90 1HG ARG 90 -10.157 -5.426 -11.372 646 HD2 ARG 90 2HD ARG 90 -8.446 -7.130 -12.071 647 HD3 ARG 90 1HD ARG 90 -8.809 -5.947 -13.318 648 HE ARG 90 HE ARG 90 -6.408 -5.680 -11.618 649 HH11 ARG 90 1HH1 ARG 90 -7.812 -6.040 -14.926 650 HH12 ARG 90 2HH1 ARG 90 -6.305 -5.583 -15.633 651 HH21 ARG 90 1HH2 ARG 90 -4.324 -5.069 -12.923 652 HH22 ARG 90 2HH2 ARG 90 -4.555 -5.106 -14.587 653 H SER 91 H SER 91 -8.285 -0.842 -11.115 654 HA SER 91 HA SER 91 -8.009 0.908 -12.578 655 HB2 SER 91 2HB SER 91 -5.153 -0.116 -12.400 656 HB3 SER 91 1HB SER 91 -5.617 1.518 -12.880 657 HG SER 91 HG SER 91 -6.654 0.572 -10.506 658 HA PRO 92 HA PRO 92 -7.466 -0.740 -16.825 659 HB2 PRO 92 2HB PRO 92 -5.808 1.351 -17.946 660 HB3 PRO 92 1HB PRO 92 -7.556 1.150 -18.167 661 HG2 PRO 92 2HG PRO 92 -6.437 3.238 -16.820 662 HG3 PRO 92 1HG PRO 92 -8.085 2.639 -16.558 663 HD2 PRO 92 2HD PRO 92 -5.634 2.158 -14.946 664 HD3 PRO 92 1HD PRO 92 -7.312 2.402 -14.413 665 H GLU 93 H GLU 93 -6.081 -2.464 -17.055 666 HA GLU 93 HA GLU 93 -3.312 -2.249 -17.327 667 HB2 GLU 93 2HB GLU 93 -3.574 -1.688 -14.913 668 HB3 GLU 93 1HB GLU 93 -4.464 -3.171 -14.675 669 HG2 GLU 93 2HG GLU 93 -2.470 -4.439 -15.216 670 HG3 GLU 93 1HG GLU 93 -1.570 -2.930 -15.434 Start of MODEL 12 1 H ASP 14 1H ASP 14 -3.504 -1.933 -3.057 2 HA ASP 14 HA ASP 14 -0.700 -1.209 -2.626 3 HB2 ASP 14 2HB ASP 14 -0.502 -2.161 -4.880 4 HB3 ASP 14 1HB ASP 14 -1.266 -3.358 -3.829 5 H ASN 15 H ASN 15 -0.424 -0.118 -5.213 6 HA ASN 15 HA ASN 15 -2.563 1.548 -5.969 7 HB2 ASN 15 2HB ASN 15 -1.849 2.790 -3.898 8 HB3 ASN 15 1HB ASN 15 -0.254 2.984 -4.610 9 HD21 ASN 15 1HD2 ASN 15 -2.211 5.001 -3.777 10 HD22 ASN 15 2HD2 ASN 15 -2.531 5.966 -5.172 11 H ARG 16 H ARG 16 -2.158 0.997 -8.061 12 HA ARG 16 HA ARG 16 0.337 2.111 -8.932 13 HB2 ARG 16 2HB ARG 16 0.401 0.803 -11.020 14 HB3 ARG 16 1HB ARG 16 0.463 -0.197 -9.590 15 HG2 ARG 16 2HG ARG 16 -2.042 0.341 -10.982 16 HG3 ARG 16 1HG ARG 16 -0.946 -0.895 -11.635 17 HD2 ARG 16 2HD ARG 16 -1.068 -1.980 -9.373 18 HD3 ARG 16 1HD ARG 16 -2.302 -0.803 -8.937 19 HE ARG 16 HE ARG 16 -2.935 -2.217 -11.376 20 HH11 ARG 16 1HH1 ARG 16 -3.181 -2.659 -7.802 21 HH12 ARG 16 2HH1 ARG 16 -4.523 -3.670 -7.977 22 HH21 ARG 16 1HH2 ARG 16 -4.723 -3.726 -11.495 23 HH22 ARG 16 2HH2 ARG 16 -5.406 -4.275 -10.064 24 H HIS 17 H HIS 17 -2.855 1.748 -10.536 25 HA HIS 17 HA HIS 17 -2.344 4.202 -11.918 26 HB2 HIS 17 2HB HIS 17 -4.717 2.354 -11.917 27 HB3 HIS 17 1HB HIS 17 -4.727 3.917 -12.731 28 HD1 HIS 17 HD1 HIS 17 -3.893 3.917 -15.090 29 HD2 HIS 17 HD2 HIS 17 -2.588 0.604 -12.953 30 HE1 HIS 17 HE1 HIS 17 -2.682 2.437 -16.740 31 H ALA 18 H ALA 18 -3.709 3.424 -8.952 32 HA ALA 18 HA ALA 18 -5.693 5.356 -8.705 33 HB1 ALA 18 1HB ALA 18 -5.501 3.420 -7.220 34 HB2 ALA 18 2HB ALA 18 -5.710 4.945 -6.368 35 HB3 ALA 18 3HB ALA 18 -4.114 4.185 -6.439 36 H ALA 19 H ALA 19 -2.357 5.815 -8.717 37 HA ALA 19 HA ALA 19 -1.910 8.119 -7.305 38 HB1 ALA 19 1HB ALA 19 -0.219 6.949 -8.663 39 HB2 ALA 19 2HB ALA 19 -0.228 8.684 -8.986 40 HB3 ALA 19 3HB ALA 19 -0.979 7.569 -10.128 41 H ASP 20 H ASP 20 -3.837 7.783 -10.248 42 HA ASP 20 HA ASP 20 -4.242 10.535 -10.876 43 HB2 ASP 20 2HB ASP 20 -4.936 8.570 -12.354 44 HB3 ASP 20 1HB ASP 20 -6.239 8.272 -11.209 45 H TYR 21 H TYR 21 -5.899 8.257 -8.783 46 HA TYR 21 HA TYR 21 -7.962 9.960 -7.861 47 HB2 TYR 21 2HB TYR 21 -8.114 7.492 -7.725 48 HB3 TYR 21 1HB TYR 21 -6.790 7.474 -6.571 49 HD1 TYR 21 HD1 TYR 21 -7.192 7.843 -4.269 50 HD2 TYR 21 HD2 TYR 21 -10.272 8.553 -7.078 51 HE1 TYR 21 HE1 TYR 21 -8.777 8.155 -2.444 52 HE2 TYR 21 HE2 TYR 21 -11.881 8.866 -5.226 53 HH TYR 21 HH TYR 21 -12.141 8.401 -2.891 54 H GLN 22 H GLN 22 -4.646 9.586 -7.004 55 HA GLN 22 HA GLN 22 -4.782 10.733 -4.423 56 HB2 GLN 22 2HB GLN 22 -2.780 9.516 -5.165 57 HB3 GLN 22 1HB GLN 22 -2.481 10.733 -6.394 58 HG2 GLN 22 2HG GLN 22 -2.071 12.400 -4.668 59 HG3 GLN 22 1HG GLN 22 -2.424 11.209 -3.419 60 HE21 GLN 22 1HE2 GLN 22 -0.365 11.447 -2.518 61 HE22 GLN 22 2HE2 GLN 22 1.033 10.798 -3.311 62 H GLN 23 H GLN 23 -4.613 12.044 -7.655 63 HA GLN 23 HA GLN 23 -4.365 14.759 -6.824 64 HB2 GLN 23 2HB GLN 23 -5.326 13.602 -9.446 65 HB3 GLN 23 1HB GLN 23 -4.986 15.303 -9.155 66 HG2 GLN 23 2HG GLN 23 -2.640 14.737 -8.690 67 HG3 GLN 23 1HG GLN 23 -2.995 13.046 -9.032 68 HE21 GLN 23 1HE2 GLN 23 -4.391 15.709 -10.822 69 HE22 GLN 23 2HE2 GLN 23 -3.535 15.364 -12.292 70 H LEU 24 H LEU 24 -6.969 12.512 -7.185 71 HA LEU 24 HA LEU 24 -9.003 14.459 -7.107 72 HB2 LEU 24 2HB LEU 24 -9.776 12.364 -7.904 73 HB3 LEU 24 1HB LEU 24 -9.174 11.390 -6.615 74 HG LEU 24 HG LEU 24 -11.510 13.325 -6.446 75 HD11 LEU 24 1HD1 LEU 24 -11.396 10.358 -6.875 76 HD12 LEU 24 2HD1 LEU 24 -11.885 11.556 -8.076 77 HD13 LEU 24 3HD1 LEU 24 -12.866 11.298 -6.631 78 HD21 LEU 24 1HD2 LEU 24 -10.551 12.758 -4.253 79 HD22 LEU 24 2HD2 LEU 24 -10.684 11.041 -4.660 80 HD23 LEU 24 3HD2 LEU 24 -12.139 12.017 -4.496 81 H ARG 25 H ARG 25 -6.940 13.173 -4.651 82 HA ARG 25 HA ARG 25 -8.484 14.082 -2.426 83 HB2 ARG 25 2HB ARG 25 -5.568 13.455 -2.673 84 HB3 ARG 25 1HB ARG 25 -6.115 14.382 -1.291 85 HG2 ARG 25 2HG ARG 25 -5.989 12.127 -0.644 86 HG3 ARG 25 1HG ARG 25 -7.693 12.543 -0.774 87 HD2 ARG 25 2HD ARG 25 -7.747 11.586 -3.000 88 HD3 ARG 25 1HD ARG 25 -6.061 11.071 -2.839 89 HE ARG 25 HE ARG 25 -8.397 9.830 -1.836 90 HH11 ARG 25 1HH1 ARG 25 -4.977 10.232 -0.809 91 HH12 ARG 25 2HH1 ARG 25 -4.939 8.659 -0.112 92 HH21 ARG 25 1HH2 ARG 25 -8.122 7.615 -0.955 93 HH22 ARG 25 2HH2 ARG 25 -6.651 7.220 -0.230 94 H GLU 26 H GLU 26 -5.985 15.656 -4.368 95 HA GLU 26 HA GLU 26 -5.712 18.021 -2.999 96 HB2 GLU 26 2HB GLU 26 -4.336 17.206 -4.894 97 HB3 GLU 26 1HB GLU 26 -5.687 17.432 -5.975 98 HG2 GLU 26 2HG GLU 26 -4.364 19.669 -4.490 99 HG3 GLU 26 1HG GLU 26 -3.838 19.115 -6.081 100 H ARG 27 H ARG 27 -7.930 17.203 -5.598 101 HA ARG 27 HA ARG 27 -9.427 19.578 -5.505 102 HB2 ARG 27 2HB ARG 27 -10.148 16.847 -6.529 103 HB3 ARG 27 1HB ARG 27 -11.171 18.267 -6.728 104 HG2 ARG 27 2HG ARG 27 -8.368 17.993 -7.821 105 HG3 ARG 27 1HG ARG 27 -9.836 17.668 -8.740 106 HD2 ARG 27 2HD ARG 27 -9.132 19.874 -9.315 107 HD3 ARG 27 1HD ARG 27 -10.534 20.045 -8.265 108 HE ARG 27 HE ARG 27 -7.785 20.261 -7.249 109 HH11 ARG 27 1HH1 ARG 27 -11.001 21.748 -7.644 110 HH12 ARG 27 2HH1 ARG 27 -10.640 23.064 -6.603 111 HH21 ARG 27 1HH2 ARG 27 -7.358 21.972 -5.869 112 HH22 ARG 27 2HH2 ARG 27 -8.500 23.216 -5.560 113 H LEU 28 H LEU 28 -9.951 16.422 -3.935 114 HA LEU 28 HA LEU 28 -12.471 16.944 -2.865 115 HB2 LEU 28 2HB LEU 28 -10.755 14.775 -2.936 116 HB3 LEU 28 1HB LEU 28 -10.781 15.180 -1.246 117 HG LEU 28 HG LEU 28 -13.202 14.573 -2.921 118 HD11 LEU 28 1HD1 LEU 28 -11.850 12.970 -0.778 119 HD12 LEU 28 2HD1 LEU 28 -11.814 12.619 -2.503 120 HD13 LEU 28 3HD1 LEU 28 -13.336 12.523 -1.613 121 HD21 LEU 28 1HD2 LEU 28 -13.780 16.113 -1.141 122 HD22 LEU 28 2HD2 LEU 28 -12.956 15.091 0.036 123 HD23 LEU 28 3HD2 LEU 28 -14.404 14.502 -0.779 124 H ILE 29 H ILE 29 -9.261 17.610 -1.572 125 HA ILE 29 HA ILE 29 -10.124 18.307 1.014 126 HB ILE 29 HB ILE 29 -7.589 19.110 -0.485 127 HG12 ILE 29 2HG1 ILE 29 -8.107 17.044 1.646 128 HG13 ILE 29 1HG1 ILE 29 -7.956 16.702 -0.069 129 HG21 ILE 29 1HG2 ILE 29 -6.639 19.716 1.696 130 HG22 ILE 29 2HG2 ILE 29 -8.171 19.369 2.478 131 HG23 ILE 29 3HG2 ILE 29 -8.048 20.721 1.348 132 HD11 ILE 29 1HD1 ILE 29 -5.951 16.107 1.065 133 HD12 ILE 29 2HD1 ILE 29 -5.816 17.710 1.789 134 HD13 ILE 29 3HD1 ILE 29 -5.610 17.504 0.039 135 H GLN 30 H GLN 30 -9.947 20.107 -1.961 136 HA GLN 30 HA GLN 30 -10.688 22.573 -0.639 137 HB2 GLN 30 2HB GLN 30 -9.247 22.606 -2.652 138 HB3 GLN 30 1HB GLN 30 -10.557 21.910 -3.592 139 HG2 GLN 30 2HG GLN 30 -11.901 23.904 -3.230 140 HG3 GLN 30 1HG GLN 30 -10.629 24.596 -2.227 141 HE21 GLN 30 1HE2 GLN 30 -8.733 25.290 -3.208 142 HE22 GLN 30 2HE2 GLN 30 -8.649 25.630 -4.899 143 H GLU 31 H GLU 31 -12.202 19.962 -2.330 144 HA GLU 31 HA GLU 31 -14.662 20.851 -3.134 145 HB2 GLU 31 2HB GLU 31 -13.794 18.648 -3.602 146 HB3 GLU 31 1HB GLU 31 -13.868 18.219 -1.903 147 HG2 GLU 31 2HG GLU 31 -15.634 17.137 -3.106 148 HG3 GLU 31 1HG GLU 31 -16.315 18.339 -2.015 149 H LEU 32 H LEU 32 -14.050 19.358 0.112 150 HA LEU 32 HA LEU 32 -16.504 20.711 1.022 151 HB2 LEU 32 2HB LEU 32 -14.851 18.554 2.299 152 HB3 LEU 32 1HB LEU 32 -16.227 19.312 3.067 153 HG LEU 32 HG LEU 32 -16.286 17.651 0.559 154 HD11 LEU 32 1HD1 LEU 32 -15.737 16.321 2.519 155 HD12 LEU 32 2HD1 LEU 32 -17.397 16.004 2.031 156 HD13 LEU 32 3HD1 LEU 32 -17.071 17.049 3.412 157 HD21 LEU 32 1HD2 LEU 32 -18.499 18.837 2.237 158 HD22 LEU 32 2HD2 LEU 32 -18.721 17.715 0.898 159 HD23 LEU 32 3HD2 LEU 32 -18.066 19.322 0.595 160 H ASN 33 H ASN 33 -13.462 21.592 0.769 161 HA ASN 33 HA ASN 33 -11.868 22.731 1.906 162 HB2 ASN 33 2HB ASN 33 -13.699 24.479 1.924 163 HB3 ASN 33 1HB ASN 33 -14.209 23.876 3.494 164 HD21 ASN 33 1HD2 ASN 33 -12.890 24.275 5.276 165 HD22 ASN 33 2HD2 ASN 33 -11.673 25.519 5.271 166 H LEU 34 H LEU 34 -11.240 20.708 2.634 167 HA LEU 34 HA LEU 34 -11.979 19.948 5.357 168 HB2 LEU 34 2HB LEU 34 -10.613 18.351 3.170 169 HB3 LEU 34 1HB LEU 34 -11.045 17.748 4.754 170 HG LEU 34 HG LEU 34 -13.073 18.880 2.910 171 HD11 LEU 34 1HD1 LEU 34 -11.983 16.973 1.743 172 HD12 LEU 34 2HD1 LEU 34 -13.631 16.569 2.174 173 HD13 LEU 34 3HD1 LEU 34 -12.292 15.949 3.142 174 HD21 LEU 34 1HD2 LEU 34 -13.261 17.009 5.254 175 HD22 LEU 34 2HD2 LEU 34 -14.615 17.484 4.233 176 HD23 LEU 34 3HD2 LEU 34 -13.774 18.698 5.196 177 H THR 35 H THR 35 -10.530 19.732 6.900 178 HA THR 35 HA THR 35 -7.957 21.007 6.620 179 HB THR 35 HB THR 35 -9.117 19.405 8.936 180 HG1 THR 35 1HG THR 35 -10.135 21.527 7.835 181 HG21 THR 35 1HG2 THR 35 -7.119 21.686 8.884 182 HG22 THR 35 2HG2 THR 35 -6.731 19.991 9.185 183 HG23 THR 35 3HG2 THR 35 -7.725 20.886 10.333 184 HA PRO 36 HA PRO 36 -5.851 17.139 5.426 185 HB2 PRO 36 2HB PRO 36 -3.671 17.970 7.287 186 HB3 PRO 36 1HB PRO 36 -3.567 17.548 5.564 187 HG2 PRO 36 2HG PRO 36 -3.360 20.061 6.296 188 HG3 PRO 36 1HG PRO 36 -4.288 19.613 4.850 189 HD2 PRO 36 2HD PRO 36 -5.291 20.423 7.540 190 HD3 PRO 36 1HD PRO 36 -5.923 20.813 5.926 191 H GLN 37 H GLN 37 -6.242 18.010 8.762 192 HA GLN 37 HA GLN 37 -5.804 15.307 9.723 193 HB2 GLN 37 2HB GLN 37 -6.663 17.840 11.145 194 HB3 GLN 37 1HB GLN 37 -6.520 16.291 11.951 195 HG2 GLN 37 2HG GLN 37 -4.565 17.604 12.422 196 HG3 GLN 37 1HG GLN 37 -4.105 16.261 11.387 197 HE21 GLN 37 1HE2 GLN 37 -2.253 17.293 10.703 198 HE22 GLN 37 2HE2 GLN 37 -2.277 18.650 9.632 199 H GLN 38 H GLN 38 -8.261 16.811 8.146 200 HA GLN 38 HA GLN 38 -10.394 15.283 9.426 201 HB2 GLN 38 2HB GLN 38 -10.679 17.755 9.321 202 HB3 GLN 38 1HB GLN 38 -10.401 17.688 7.590 203 HG2 GLN 38 2HG GLN 38 -12.368 16.426 7.280 204 HG3 GLN 38 1HG GLN 38 -12.708 16.453 9.022 205 HE21 GLN 38 1HE2 GLN 38 -14.645 17.602 8.719 206 HE22 GLN 38 2HE2 GLN 38 -14.654 19.271 8.267 207 H LEU 39 H LEU 39 -8.232 15.530 6.826 208 HA LEU 39 HA LEU 39 -9.764 13.629 5.317 209 HB2 LEU 39 2HB LEU 39 -10.100 15.992 4.401 210 HB3 LEU 39 1HB LEU 39 -8.407 15.969 3.968 211 HG LEU 39 HG LEU 39 -10.097 15.519 2.133 212 HD11 LEU 39 1HD1 LEU 39 -7.953 13.464 2.612 213 HD12 LEU 39 2HD1 LEU 39 -7.751 15.022 1.813 214 HD13 LEU 39 3HD1 LEU 39 -8.749 13.770 1.064 215 HD21 LEU 39 1HD2 LEU 39 -10.977 13.286 1.931 216 HD22 LEU 39 2HD2 LEU 39 -11.531 14.032 3.440 217 HD23 LEU 39 3HD2 LEU 39 -10.243 12.826 3.461 218 H HIS 40 H HIS 40 -8.384 12.277 6.297 219 HA HIS 40 HA HIS 40 -5.827 12.045 4.952 220 HB2 HIS 40 2HB HIS 40 -5.449 12.357 7.379 221 HB3 HIS 40 1HB HIS 40 -6.625 11.104 7.748 222 HD1 HIS 40 HD1 HIS 40 -5.587 8.936 8.334 223 HD2 HIS 40 HD2 HIS 40 -3.147 11.157 5.813 224 HE1 HIS 40 HE1 HIS 40 -3.699 7.466 7.821 225 H GLU 41 H GLU 41 -5.294 9.627 4.782 226 HA GLU 41 HA GLU 41 -6.819 8.444 2.888 227 HB2 GLU 41 2HB GLU 41 -4.457 7.966 3.649 228 HB3 GLU 41 1HB GLU 41 -5.143 6.951 4.897 229 HG2 GLU 41 2HG GLU 41 -4.368 5.592 3.076 230 HG3 GLU 41 1HG GLU 41 -6.125 5.518 3.142 231 H GLU 42 H GLU 42 -7.356 8.071 6.433 232 HA GLU 42 HA GLU 42 -9.260 5.861 5.928 233 HB2 GLU 42 2HB GLU 42 -8.769 5.083 8.102 234 HB3 GLU 42 1HB GLU 42 -7.278 5.822 7.638 235 HG2 GLU 42 2HG GLU 42 -9.337 7.250 9.299 236 HG3 GLU 42 1HG GLU 42 -7.981 6.346 9.960 237 H SER 43 H SER 43 -9.373 9.117 6.104 238 HA SER 43 HA SER 43 -11.375 9.526 8.041 239 HB2 SER 43 2HB SER 43 -10.581 11.279 5.721 240 HB3 SER 43 1HB SER 43 -11.462 11.786 7.165 241 HG SER 43 HG SER 43 -9.110 10.498 7.806 242 H ASN 44 H ASN 44 -13.529 9.709 7.902 243 HA ASN 44 HA ASN 44 -14.794 8.391 5.673 244 HB2 ASN 44 2HB ASN 44 -15.461 7.808 7.998 245 HB3 ASN 44 1HB ASN 44 -16.064 9.433 8.244 246 HD21 ASN 44 1HD2 ASN 44 -17.414 6.851 8.384 247 HD22 ASN 44 2HD2 ASN 44 -18.749 6.943 7.290 248 H LEU 45 H LEU 45 -15.372 9.386 4.038 249 HA LEU 45 HA LEU 45 -15.374 12.198 3.720 250 HB2 LEU 45 2HB LEU 45 -16.201 9.957 1.954 251 HB3 LEU 45 1HB LEU 45 -16.253 11.641 1.472 252 HG LEU 45 HG LEU 45 -13.715 10.277 2.375 253 HD11 LEU 45 1HD1 LEU 45 -14.774 10.772 -0.383 254 HD12 LEU 45 2HD1 LEU 45 -14.658 9.212 0.427 255 HD13 LEU 45 3HD1 LEU 45 -13.187 10.108 0.036 256 HD21 LEU 45 1HD2 LEU 45 -12.715 12.228 1.253 257 HD22 LEU 45 2HD2 LEU 45 -13.725 12.713 2.609 258 HD23 LEU 45 3HD2 LEU 45 -14.317 12.904 0.975 259 H ILE 46 H ILE 46 -18.012 9.923 4.149 260 HA ILE 46 HA ILE 46 -19.887 11.981 3.393 261 HB ILE 46 HB ILE 46 -20.332 9.083 4.225 262 HG12 ILE 46 2HG1 ILE 46 -20.598 10.515 1.570 263 HG13 ILE 46 1HG1 ILE 46 -19.257 9.487 2.041 264 HG21 ILE 46 1HG2 ILE 46 -22.395 11.091 3.271 265 HG22 ILE 46 2HG2 ILE 46 -22.274 10.444 4.906 266 HG23 ILE 46 3HG2 ILE 46 -22.682 9.373 3.564 267 HD11 ILE 46 1HD1 ILE 46 -20.822 7.583 2.154 268 HD12 ILE 46 2HD1 ILE 46 -20.679 8.318 0.565 269 HD13 ILE 46 3HD1 ILE 46 -22.110 8.644 1.555 270 H GLN 47 H GLN 47 -18.409 10.765 6.151 271 HA GLN 47 HA GLN 47 -20.203 11.904 8.072 272 HB2 GLN 47 2HB GLN 47 -18.611 10.010 8.537 273 HB3 GLN 47 1HB GLN 47 -17.284 11.126 8.305 274 HG2 GLN 47 2HG GLN 47 -19.340 11.513 10.463 275 HG3 GLN 47 1HG GLN 47 -17.915 10.482 10.642 276 HE21 GLN 47 1HE2 GLN 47 -18.739 12.994 12.012 277 HE22 GLN 47 2HE2 GLN 47 -17.386 14.058 11.808 278 H ALA 48 H ALA 48 -17.356 12.855 6.279 279 HA ALA 48 HA ALA 48 -16.965 15.369 7.510 280 HB1 ALA 48 1HB ALA 48 -16.141 14.446 4.754 281 HB2 ALA 48 2HB ALA 48 -15.200 14.235 6.229 282 HB3 ALA 48 3HB ALA 48 -15.509 15.855 5.605 283 H GLY 49 H GLY 49 -18.856 14.268 4.756 284 HA2 GLY 49 2HA GLY 49 -21.041 15.571 4.791 285 HA3 GLY 49 1HA GLY 49 -20.013 16.979 4.650 286 H LEU 50 H LEU 50 -19.217 14.101 2.770 287 HA LEU 50 HA LEU 50 -19.634 15.565 0.347 288 HB2 LEU 50 2HB LEU 50 -19.105 12.646 0.761 289 HB3 LEU 50 1HB LEU 50 -19.343 13.360 -0.812 290 HG LEU 50 HG LEU 50 -17.048 13.864 1.088 291 HD11 LEU 50 1HD1 LEU 50 -15.773 12.873 -0.688 292 HD12 LEU 50 2HD1 LEU 50 -17.227 12.845 -1.693 293 HD13 LEU 50 3HD1 LEU 50 -17.129 11.788 -0.285 294 HD21 LEU 50 1HD2 LEU 50 -17.451 15.074 -1.647 295 HD22 LEU 50 2HD2 LEU 50 -16.157 15.411 -0.467 296 HD23 LEU 50 3HD2 LEU 50 -17.783 15.950 -0.149 297 H ASP 51 H ASP 51 -21.564 16.154 -0.236 298 HA ASP 51 HA ASP 51 -23.913 14.612 0.136 299 HB2 ASP 51 2HB ASP 51 -24.995 16.197 -1.406 300 HB3 ASP 51 1HB ASP 51 -24.021 17.061 -0.221 301 H SER 52 H SER 52 -25.245 13.972 -1.886 302 HA SER 52 HA SER 52 -23.539 12.064 -3.040 303 HB2 SER 52 2HB SER 52 -26.492 12.313 -3.537 304 HB3 SER 52 1HB SER 52 -25.373 10.978 -3.939 305 HG SER 52 HG SER 52 -25.045 11.611 -1.389 306 H ILE 53 H ILE 53 -24.413 15.175 -4.172 307 HA ILE 53 HA ILE 53 -24.263 14.355 -6.919 308 HB ILE 53 HB ILE 53 -23.838 17.163 -5.841 309 HG12 ILE 53 2HG1 ILE 53 -26.120 16.382 -5.295 310 HG13 ILE 53 1HG1 ILE 53 -26.172 17.619 -6.542 311 HG21 ILE 53 1HG2 ILE 53 -22.883 16.655 -8.121 312 HG22 ILE 53 2HG2 ILE 53 -24.150 17.876 -8.179 313 HG23 ILE 53 3HG2 ILE 53 -24.491 16.214 -8.655 314 HD11 ILE 53 1HD1 ILE 53 -26.452 14.645 -6.970 315 HD12 ILE 53 2HD1 ILE 53 -26.482 15.869 -8.239 316 HD13 ILE 53 3HD1 ILE 53 -27.750 15.838 -7.014 317 H ARG 54 H ARG 54 -22.234 15.885 -4.497 318 HA ARG 54 HA ARG 54 -19.844 15.979 -5.936 319 HB2 ARG 54 2HB ARG 54 -20.393 15.527 -3.018 320 HB3 ARG 54 1HB ARG 54 -18.752 15.576 -3.644 321 HG2 ARG 54 2HG ARG 54 -19.049 17.833 -4.398 322 HG3 ARG 54 1HG ARG 54 -20.759 17.791 -3.957 323 HD2 ARG 54 2HD ARG 54 -20.267 17.684 -1.661 324 HD3 ARG 54 1HD ARG 54 -18.578 17.296 -1.965 325 HE ARG 54 HE ARG 54 -18.251 19.526 -2.736 326 HH11 ARG 54 1HH1 ARG 54 -21.455 19.153 -1.367 327 HH12 ARG 54 2HH1 ARG 54 -21.460 20.594 -0.474 328 HH21 ARG 54 1HH2 ARG 54 -18.126 21.487 -1.536 329 HH22 ARG 54 2HH2 ARG 54 -19.441 22.048 -0.597 330 H LEU 55 H LEU 55 -21.207 13.358 -4.051 331 HA LEU 55 HA LEU 55 -19.320 11.372 -4.421 332 HB2 LEU 55 2HB LEU 55 -22.289 11.300 -4.239 333 HB3 LEU 55 1HB LEU 55 -21.482 9.796 -4.300 334 HG LEU 55 HG LEU 55 -21.380 11.873 -2.114 335 HD11 LEU 55 1HD1 LEU 55 -22.139 8.957 -2.107 336 HD12 LEU 55 2HD1 LEU 55 -23.267 10.307 -2.077 337 HD13 LEU 55 3HD1 LEU 55 -22.170 10.041 -0.723 338 HD21 LEU 55 1HD2 LEU 55 -19.630 9.434 -2.411 339 HD22 LEU 55 2HD2 LEU 55 -19.825 10.367 -0.934 340 HD23 LEU 55 3HD2 LEU 55 -19.110 11.127 -2.354 341 H MET 56 H MET 56 -22.077 12.106 -6.580 342 HA MET 56 HA MET 56 -21.063 10.161 -8.432 343 HB2 MET 56 2HB MET 56 -23.001 10.652 -9.858 344 HB3 MET 56 1HB MET 56 -23.428 10.224 -8.213 345 HG2 MET 56 2HG MET 56 -23.688 12.647 -7.743 346 HG3 MET 56 1HG MET 56 -23.481 12.952 -9.470 347 HE1 MET 56 HE1 MET 56 -26.940 10.484 -7.646 348 HE2 MET 56 HE2 MET 56 -25.622 11.203 -6.712 349 HE3 MET 56 HE3 MET 56 -25.301 9.856 -7.786 350 H ARG 57 H ARG 57 -20.635 13.532 -8.060 351 HA ARG 57 HA ARG 57 -19.977 14.074 -10.667 352 HB2 ARG 57 2HB ARG 57 -18.798 15.336 -8.174 353 HB3 ARG 57 1HB ARG 57 -18.405 15.896 -9.793 354 HG2 ARG 57 2HG ARG 57 -20.942 16.152 -10.091 355 HG3 ARG 57 1HG ARG 57 -20.998 16.001 -8.336 356 HD2 ARG 57 2HD ARG 57 -19.497 18.093 -9.914 357 HD3 ARG 57 1HD ARG 57 -20.983 18.339 -9.010 358 HE ARG 57 HE ARG 57 -18.630 17.440 -7.533 359 HH11 ARG 57 1HH1 ARG 57 -20.875 20.082 -8.285 360 HH12 ARG 57 2HH1 ARG 57 -20.223 21.135 -7.108 361 HH21 ARG 57 1HH2 ARG 57 -17.717 18.934 -5.944 362 HH22 ARG 57 2HH2 ARG 57 -18.366 20.423 -5.725 363 H TRP 58 H TRP 58 -18.218 12.784 -7.917 364 HA TRP 58 HA TRP 58 -15.703 12.456 -9.093 365 HB2 TRP 58 2HB TRP 58 -17.008 11.101 -6.747 366 HB3 TRP 58 1HB TRP 58 -15.383 10.699 -7.273 367 HD1 TRP 58 HD1 TRP 58 -16.640 12.339 -4.493 368 HE1 TRP 58 HE1 TRP 58 -15.233 14.312 -3.728 369 HE3 TRP 58 HE3 TRP 58 -14.027 13.281 -8.844 370 HZ2 TRP 58 HZ2 TRP 58 -13.246 16.049 -4.808 371 HZ3 TRP 58 HZ3 TRP 58 -12.447 15.118 -8.853 372 HH2 TRP 58 HH2 TRP 58 -12.077 16.473 -6.888 373 H LEU 59 H LEU 59 -18.553 10.477 -9.078 374 HA LEU 59 HA LEU 59 -17.485 8.051 -9.941 375 HB2 LEU 59 2HB LEU 59 -19.827 8.336 -9.198 376 HB3 LEU 59 1HB LEU 59 -20.165 9.220 -10.676 377 HG LEU 59 HG LEU 59 -19.594 7.202 -11.961 378 HD11 LEU 59 1HD1 LEU 59 -19.572 5.880 -9.253 379 HD12 LEU 59 2HD1 LEU 59 -18.206 6.045 -10.359 380 HD13 LEU 59 3HD1 LEU 59 -19.580 5.034 -10.799 381 HD21 LEU 59 1HD2 LEU 59 -21.685 6.026 -11.493 382 HD22 LEU 59 2HD2 LEU 59 -21.895 7.774 -11.538 383 HD23 LEU 59 3HD2 LEU 59 -21.855 6.930 -9.984 384 H HIS 60 H HIS 60 -18.461 10.868 -11.746 385 HA HIS 60 HA HIS 60 -18.000 9.775 -14.351 386 HB2 HIS 60 2HB HIS 60 -19.523 11.714 -13.898 387 HB3 HIS 60 1HB HIS 60 -18.125 12.678 -13.458 388 HD1 HIS 60 HD1 HIS 60 -20.223 11.791 -16.327 389 HD2 HIS 60 HD2 HIS 60 -16.351 13.180 -15.734 390 HE1 HIS 60 HE1 HIS 60 -19.465 12.735 -18.536 391 H TRP 61 H TRP 61 -16.213 11.722 -12.064 392 HA TRP 61 HA TRP 61 -13.984 12.483 -13.521 393 HB2 TRP 61 2HB TRP 61 -14.646 13.307 -11.259 394 HB3 TRP 61 1HB TRP 61 -14.121 11.776 -10.584 395 HD1 TRP 61 HD1 TRP 61 -12.854 15.147 -11.669 396 HE1 TRP 61 HE1 TRP 61 -10.360 15.355 -11.142 397 HE3 TRP 61 HE3 TRP 61 -11.888 10.296 -10.436 398 HZ2 TRP 61 HZ2 TRP 61 -8.261 13.700 -10.312 399 HZ3 TRP 61 HZ3 TRP 61 -9.604 9.701 -9.779 400 HH2 TRP 61 HH2 TRP 61 -7.837 11.367 -9.722 401 H PHE 62 H PHE 62 -14.517 9.515 -11.653 402 HA PHE 62 HA PHE 62 -11.962 8.346 -11.866 403 HB2 PHE 62 2HB PHE 62 -14.615 6.900 -11.930 404 HB3 PHE 62 1HB PHE 62 -13.069 6.167 -11.537 405 HD1 PHE 62 HD1 PHE 62 -15.914 6.802 -10.106 406 HD2 PHE 62 HD2 PHE 62 -11.897 8.030 -9.780 407 HE1 PHE 62 HE1 PHE 62 -16.317 7.385 -7.752 408 HE2 PHE 62 HE2 PHE 62 -12.269 8.622 -7.396 409 HZ PHE 62 HZ PHE 62 -14.479 8.306 -6.397 410 H ARG 63 H ARG 63 -14.624 8.392 -14.018 411 HA ARG 63 HA ARG 63 -13.609 6.300 -15.572 412 HB2 ARG 63 2HB ARG 63 -16.063 8.005 -16.021 413 HB3 ARG 63 1HB ARG 63 -15.624 6.536 -16.932 414 HG2 ARG 63 2HG ARG 63 -15.714 5.218 -14.948 415 HG3 ARG 63 1HG ARG 63 -16.037 6.644 -13.973 416 HD2 ARG 63 2HD ARG 63 -18.180 6.938 -15.094 417 HD3 ARG 63 1HD ARG 63 -17.845 5.538 -16.126 418 HE ARG 63 HE ARG 63 -17.716 5.124 -13.285 419 HH11 ARG 63 1HH1 ARG 63 -19.766 4.936 -16.147 420 HH12 ARG 63 2HH1 ARG 63 -20.824 3.753 -15.541 421 HH21 ARG 63 1HH2 ARG 63 -19.122 3.448 -12.406 422 HH22 ARG 63 2HH2 ARG 63 -20.436 2.870 -13.320 423 H LYS 64 H LYS 64 -12.836 9.552 -15.585 424 HA LYS 64 HA LYS 64 -12.187 10.365 -18.155 425 HB2 LYS 64 2HB LYS 64 -10.317 10.383 -15.785 426 HB3 LYS 64 1HB LYS 64 -10.018 11.246 -17.272 427 HG2 LYS 64 2HG LYS 64 -11.942 12.666 -16.800 428 HG3 LYS 64 1HG LYS 64 -12.234 11.758 -15.315 429 HD2 LYS 64 2HD LYS 64 -9.683 13.297 -15.924 430 HD3 LYS 64 1HD LYS 64 -10.996 13.901 -14.928 431 HE2 LYS 64 2HE LYS 64 -9.454 13.126 -13.339 432 HE3 LYS 64 1HE LYS 64 -10.579 11.792 -13.470 433 HZ1 LYS 64 1HZ LYS 64 -8.398 10.873 -13.415 434 HZ2 LYS 64 2HZ LYS 64 -7.766 11.933 -14.452 435 HZ3 LYS 64 3HZ LYS 64 -8.774 10.734 -15.038 436 H ASN 65 H ASN 65 -10.351 8.169 -16.101 437 HA ASN 65 HA ASN 65 -8.431 7.621 -18.262 438 HB2 ASN 65 2HB ASN 65 -8.315 6.933 -15.314 439 HB3 ASN 65 1HB ASN 65 -7.059 6.587 -16.484 440 HD21 ASN 65 1HD2 ASN 65 -5.625 7.755 -15.146 441 HD22 ASN 65 2HD2 ASN 65 -5.646 9.480 -15.083 442 H GLY 66 H GLY 66 -11.260 6.499 -17.542 443 HA2 GLY 66 2HA GLY 66 -12.258 4.497 -18.032 444 HA3 GLY 66 1HA GLY 66 -10.666 3.821 -18.345 445 H TYR 67 H TYR 67 -11.377 5.418 -15.282 446 HA TYR 67 HA TYR 67 -10.822 2.954 -13.980 447 HB2 TYR 67 2HB TYR 67 -11.681 5.586 -12.787 448 HB3 TYR 67 1HB TYR 67 -11.323 4.152 -11.811 449 HD1 TYR 67 HD1 TYR 67 -10.029 7.133 -12.666 450 HD2 TYR 67 HD2 TYR 67 -9.008 3.025 -12.835 451 HE1 TYR 67 HE1 TYR 67 -7.642 7.729 -12.859 452 HE2 TYR 67 HE2 TYR 67 -6.657 3.585 -12.972 453 HH TYR 67 HH TYR 67 -5.399 6.579 -12.360 454 H ARG 68 H ARG 68 -12.227 2.202 -12.283 455 HA ARG 68 HA ARG 68 -14.845 1.923 -13.593 456 HB2 ARG 68 2HB ARG 68 -12.985 -0.422 -13.146 457 HB3 ARG 68 1HB ARG 68 -14.690 -0.600 -13.533 458 HG2 ARG 68 2HG ARG 68 -14.337 0.553 -15.664 459 HG3 ARG 68 1HG ARG 68 -12.638 0.780 -15.268 460 HD2 ARG 68 2HD ARG 68 -13.972 -1.921 -15.550 461 HD3 ARG 68 1HD ARG 68 -13.111 -1.111 -16.852 462 HE ARG 68 HE ARG 68 -11.497 -1.389 -14.514 463 HH11 ARG 68 1HH1 ARG 68 -12.529 -3.185 -17.473 464 HH12 ARG 68 2HH1 ARG 68 -11.140 -4.200 -17.369 465 HH21 ARG 68 1HH2 ARG 68 -9.670 -2.927 -14.560 466 HH22 ARG 68 2HH2 ARG 68 -9.650 -4.081 -15.825 467 H LEU 69 H LEU 69 -15.671 2.980 -11.847 468 HA LEU 69 HA LEU 69 -15.908 1.232 -9.470 469 HB2 LEU 69 2HB LEU 69 -15.722 4.242 -9.445 470 HB3 LEU 69 1HB LEU 69 -16.044 3.238 -8.053 471 HG LEU 69 HG LEU 69 -13.470 3.388 -9.620 472 HD11 LEU 69 1HD1 LEU 69 -14.186 4.166 -6.802 473 HD12 LEU 69 2HD1 LEU 69 -13.831 5.266 -8.134 474 HD13 LEU 69 3HD1 LEU 69 -12.564 4.216 -7.495 475 HD21 LEU 69 1HD2 LEU 69 -12.587 1.842 -7.925 476 HD22 LEU 69 2HD2 LEU 69 -13.840 1.108 -8.922 477 HD23 LEU 69 3HD2 LEU 69 -14.222 1.652 -7.286 478 H THR 70 H THR 70 -17.899 1.264 -8.361 479 HA THR 70 HA THR 70 -19.964 2.821 -9.695 480 HB THR 70 HB THR 70 -21.635 1.229 -8.777 481 HG1 THR 70 1HG THR 70 -19.355 0.055 -7.604 482 HG21 THR 70 1HG2 THR 70 -19.457 -0.199 -10.305 483 HG22 THR 70 2HG2 THR 70 -20.771 0.747 -11.006 484 HG23 THR 70 3HG2 THR 70 -21.125 -0.752 -10.145 485 H LEU 71 H LEU 71 -21.233 4.103 -8.340 486 HA LEU 71 HA LEU 71 -19.855 5.141 -6.120 487 HB2 LEU 71 2HB LEU 71 -21.602 6.196 -7.723 488 HB3 LEU 71 1HB LEU 71 -22.684 5.406 -6.576 489 HG LEU 71 HG LEU 71 -22.043 6.770 -4.779 490 HD11 LEU 71 1HD1 LEU 71 -20.282 8.524 -5.139 491 HD12 LEU 71 2HD1 LEU 71 -19.954 7.688 -6.680 492 HD13 LEU 71 3HD1 LEU 71 -19.744 6.844 -5.156 493 HD21 LEU 71 1HD2 LEU 71 -22.703 8.969 -5.591 494 HD22 LEU 71 2HD2 LEU 71 -23.659 7.724 -6.394 495 HD23 LEU 71 3HD2 LEU 71 -22.313 8.486 -7.238 496 H ARG 72 H ARG 72 -22.239 2.776 -6.530 497 HA ARG 72 HA ARG 72 -23.545 2.212 -4.208 498 HB2 ARG 72 2HB ARG 72 -23.775 0.873 -6.162 499 HB3 ARG 72 1HB ARG 72 -22.076 0.449 -6.147 500 HG2 ARG 72 2HG ARG 72 -22.560 -0.758 -3.960 501 HG3 ARG 72 1HG ARG 72 -24.269 -0.554 -4.361 502 HD2 ARG 72 2HD ARG 72 -23.417 -2.732 -5.115 503 HD3 ARG 72 1HD ARG 72 -23.932 -1.731 -6.472 504 HE ARG 72 HE ARG 72 -21.428 -1.148 -6.620 505 HH11 ARG 72 1HH1 ARG 72 -22.616 -4.342 -5.661 506 HH12 ARG 72 2HH1 ARG 72 -21.231 -5.173 -6.197 507 HH21 ARG 72 1HH2 ARG 72 -19.544 -2.255 -7.344 508 HH22 ARG 72 2HH2 ARG 72 -19.394 -3.930 -7.187 509 H GLU 73 H GLU 73 -20.186 1.837 -4.915 510 HA GLU 73 HA GLU 73 -19.594 0.146 -2.589 511 HB2 GLU 73 2HB GLU 73 -17.811 1.288 -4.732 512 HB3 GLU 73 1HB GLU 73 -17.323 0.112 -3.516 513 HG2 GLU 73 2HG GLU 73 -18.678 -1.552 -4.421 514 HG3 GLU 73 1HG GLU 73 -19.580 -0.391 -5.401 515 H LEU 74 H LEU 74 -19.388 3.380 -3.626 516 HA LEU 74 HA LEU 74 -17.393 4.176 -1.722 517 HB2 LEU 74 2HB LEU 74 -19.096 5.907 -3.501 518 HB3 LEU 74 1HB LEU 74 -17.594 6.358 -2.738 519 HG LEU 74 HG LEU 74 -17.937 4.404 -5.031 520 HD11 LEU 74 1HD1 LEU 74 -16.435 5.899 -6.204 521 HD12 LEU 74 2HD1 LEU 74 -16.522 7.026 -4.846 522 HD13 LEU 74 3HD1 LEU 74 -17.966 6.649 -5.780 523 HD21 LEU 74 1HD2 LEU 74 -15.417 5.038 -3.509 524 HD22 LEU 74 2HD2 LEU 74 -15.517 4.094 -4.996 525 HD23 LEU 74 3HD2 LEU 74 -16.270 3.494 -3.519 526 H TYR 75 H TYR 75 -20.801 3.983 -1.923 527 HA TYR 75 HA TYR 75 -21.358 5.611 0.400 528 HB2 TYR 75 2HB TYR 75 -22.970 3.602 -1.155 529 HB3 TYR 75 1HB TYR 75 -23.537 4.229 0.385 530 HD1 TYR 75 HD1 TYR 75 -22.917 4.977 -3.143 531 HD2 TYR 75 HD2 TYR 75 -24.388 6.459 0.552 532 HE1 TYR 75 HE1 TYR 75 -24.062 6.789 -4.331 533 HE2 TYR 75 HE2 TYR 75 -25.525 8.286 -0.618 534 HH TYR 75 HH TYR 75 -25.526 9.448 -2.671 535 H ALA 76 H ALA 76 -20.775 2.239 -0.344 536 HA ALA 76 HA ALA 76 -21.542 1.128 2.126 537 HB1 ALA 76 1HB ALA 76 -20.368 -0.880 1.383 538 HB2 ALA 76 2HB ALA 76 -19.584 0.043 0.101 539 HB3 ALA 76 3HB ALA 76 -21.331 -0.198 0.070 540 H ALA 77 H ALA 77 -18.375 2.073 0.862 541 HA ALA 77 HA ALA 77 -17.517 2.261 3.645 542 HB1 ALA 77 1HB ALA 77 -16.463 0.275 2.651 543 HB2 ALA 77 2HB ALA 77 -15.270 1.520 3.022 544 HB3 ALA 77 3HB ALA 77 -15.801 1.277 1.359 545 HA PRO 78 HA PRO 78 -16.866 6.199 1.547 546 HB2 PRO 78 2HB PRO 78 -17.831 7.646 3.775 547 HB3 PRO 78 1HB PRO 78 -18.702 7.314 2.267 548 HG2 PRO 78 2HG PRO 78 -19.367 6.309 4.779 549 HG3 PRO 78 1HG PRO 78 -19.986 5.744 3.219 550 HD2 PRO 78 2HD PRO 78 -17.889 4.556 4.939 551 HD3 PRO 78 1HD PRO 78 -19.010 3.780 3.800 552 H THR 79 H THR 79 -14.673 5.690 1.850 553 HA THR 79 HA THR 79 -13.339 7.443 3.705 554 HB THR 79 HB THR 79 -11.674 5.450 4.022 555 HG1 THR 79 1HG THR 79 -14.077 4.164 3.337 556 HG21 THR 79 1HG2 THR 79 -12.807 6.542 5.854 557 HG22 THR 79 2HG2 THR 79 -12.739 4.801 6.127 558 HG23 THR 79 3HG2 THR 79 -14.254 5.566 5.581 559 H LEU 80 H LEU 80 -11.479 8.147 2.743 560 HA LEU 80 HA LEU 80 -11.215 8.178 0.027 561 HB2 LEU 80 2HB LEU 80 -9.142 8.274 2.105 562 HB3 LEU 80 1HB LEU 80 -8.855 8.571 0.396 563 HG LEU 80 HG LEU 80 -10.664 10.229 2.150 564 HD11 LEU 80 1HD1 LEU 80 -8.877 11.842 1.950 565 HD12 LEU 80 2HD1 LEU 80 -7.930 10.662 1.027 566 HD13 LEU 80 3HD1 LEU 80 -8.304 10.360 2.731 567 HD21 LEU 80 1HD2 LEU 80 -9.617 10.653 -0.642 568 HD22 LEU 80 2HD2 LEU 80 -10.638 11.755 0.274 569 HD23 LEU 80 3HD2 LEU 80 -11.273 10.195 -0.253 570 H ALA 81 H ALA 81 -9.474 6.211 2.331 571 HA ALA 81 HA ALA 81 -7.781 4.694 0.868 572 HB1 ALA 81 1HB ALA 81 -7.868 3.012 2.591 573 HB2 ALA 81 2HB ALA 81 -9.435 3.609 3.131 574 HB3 ALA 81 3HB ALA 81 -8.001 4.613 3.327 575 H ALA 82 H ALA 82 -11.211 3.921 1.361 576 HA ALA 82 HA ALA 82 -11.029 1.451 -0.046 577 HB1 ALA 82 1HB ALA 82 -12.793 1.862 1.616 578 HB2 ALA 82 2HB ALA 82 -13.466 1.427 0.039 579 HB3 ALA 82 3HB ALA 82 -13.477 3.106 0.570 580 H TRP 83 H TRP 83 -12.217 4.689 -1.003 581 HA TRP 83 HA TRP 83 -13.059 3.923 -3.618 582 HB2 TRP 83 2HB TRP 83 -11.906 6.713 -3.048 583 HB3 TRP 83 1HB TRP 83 -13.061 6.214 -4.262 584 HD1 TRP 83 HD1 TRP 83 -13.869 5.264 -0.686 585 HE1 TRP 83 HE1 TRP 83 -15.949 6.658 -0.012 586 HE3 TRP 83 HE3 TRP 83 -13.968 8.438 -4.600 587 HZ2 TRP 83 HZ2 TRP 83 -17.387 8.862 -1.020 588 HZ3 TRP 83 HZ3 TRP 83 -15.691 10.194 -4.696 589 HH2 TRP 83 HH2 TRP 83 -17.353 10.402 -2.944 590 H ASN 84 H ASN 84 -10.053 5.012 -2.283 591 HA ASN 84 HA ASN 84 -8.412 5.237 -4.549 592 HB2 ASN 84 2HB ASN 84 -7.833 6.149 -2.351 593 HB3 ASN 84 1HB ASN 84 -7.794 4.542 -1.664 594 HD21 ASN 84 1HD2 ASN 84 -5.701 5.068 -0.890 595 HD22 ASN 84 2HD2 ASN 84 -4.344 4.981 -1.944 596 H GLN 85 H GLN 85 -8.634 2.605 -2.186 597 HA GLN 85 HA GLN 85 -7.024 0.786 -3.584 598 HB2 GLN 85 2HB GLN 85 -7.365 0.697 -1.205 599 HB3 GLN 85 1HB GLN 85 -9.078 0.379 -1.420 600 HG2 GLN 85 2HG GLN 85 -7.914 -1.563 -0.739 601 HG3 GLN 85 1HG GLN 85 -8.559 -1.775 -2.358 602 HE21 GLN 85 1HE2 GLN 85 -7.128 -1.935 -4.095 603 HE22 GLN 85 2HE2 GLN 85 -5.439 -2.239 -3.961 604 H LEU 86 H LEU 86 -10.430 1.481 -3.832 605 HA LEU 86 HA LEU 86 -11.121 -0.866 -5.204 606 HB2 LEU 86 2HB LEU 86 -12.441 1.818 -5.125 607 HB3 LEU 86 1HB LEU 86 -13.084 0.459 -6.029 608 HG LEU 86 HG LEU 86 -12.625 0.472 -3.047 609 HD11 LEU 86 1HD1 LEU 86 -15.031 0.567 -2.886 610 HD12 LEU 86 2HD1 LEU 86 -15.132 0.685 -4.651 611 HD13 LEU 86 3HD1 LEU 86 -14.377 1.986 -3.715 612 HD21 LEU 86 1HD2 LEU 86 -12.458 -1.775 -3.986 613 HD22 LEU 86 2HD2 LEU 86 -13.975 -1.536 -4.854 614 HD23 LEU 86 3HD2 LEU 86 -13.967 -1.588 -3.094 615 H MET 87 H MET 87 -9.542 2.053 -6.289 616 HA MET 87 HA MET 87 -9.928 1.513 -9.073 617 HB2 MET 87 2HB MET 87 -7.809 3.154 -7.684 618 HB3 MET 87 1HB MET 87 -7.845 2.915 -9.420 619 HG2 MET 87 2HG MET 87 -10.110 3.944 -9.423 620 HG3 MET 87 1HG MET 87 -9.849 4.350 -7.722 621 HE1 MET 87 HE1 MET 87 -10.266 6.972 -8.495 622 HE2 MET 87 HE2 MET 87 -10.427 6.319 -10.136 623 HE3 MET 87 HE3 MET 87 -9.328 7.707 -9.798 624 H LEU 88 H LEU 88 -7.895 0.263 -6.646 625 HA LEU 88 HA LEU 88 -6.201 -0.989 -8.666 626 HB2 LEU 88 2HB LEU 88 -6.030 -1.150 -5.666 627 HB3 LEU 88 1HB LEU 88 -4.890 -1.881 -6.780 628 HG LEU 88 HG LEU 88 -3.739 -0.072 -6.198 629 HD11 LEU 88 1HD1 LEU 88 -5.420 1.124 -8.369 630 HD12 LEU 88 2HD1 LEU 88 -4.008 0.105 -8.585 631 HD13 LEU 88 3HD1 LEU 88 -3.838 1.706 -7.853 632 HD21 LEU 88 1HD2 LEU 88 -6.302 1.461 -5.862 633 HD22 LEU 88 2HD2 LEU 88 -4.688 2.123 -5.600 634 HD23 LEU 88 3HD2 LEU 88 -5.264 0.796 -4.595 635 H SER 89 H SER 89 -8.954 -1.622 -6.944 636 HA SER 89 HA SER 89 -8.867 -4.446 -6.975 637 HB2 SER 89 2HB SER 89 -10.569 -3.275 -5.659 638 HB3 SER 89 1HB SER 89 -11.198 -2.491 -7.102 639 HG SER 89 HG SER 89 -11.162 -5.216 -7.297 640 H ARG 90 H ARG 90 -9.568 -1.913 -9.282 641 HA ARG 90 HA ARG 90 -8.818 -3.484 -11.431 642 HB2 ARG 90 2HB ARG 90 -10.905 -3.401 -12.781 643 HB3 ARG 90 1HB ARG 90 -11.071 -4.426 -11.371 644 HG2 ARG 90 2HG ARG 90 -12.086 -1.593 -11.505 645 HG3 ARG 90 1HG ARG 90 -13.052 -3.001 -11.930 646 HD2 ARG 90 2HD ARG 90 -12.892 -3.844 -9.684 647 HD3 ARG 90 1HD ARG 90 -11.749 -2.572 -9.253 648 HE ARG 90 HE ARG 90 -13.924 -1.258 -10.153 649 HH11 ARG 90 1HH1 ARG 90 -13.351 -3.550 -7.435 650 HH12 ARG 90 2HH1 ARG 90 -14.706 -2.929 -6.586 651 HH21 ARG 90 1HH2 ARG 90 -15.668 -0.532 -8.894 652 HH22 ARG 90 2HH2 ARG 90 -16.003 -1.268 -7.395 653 H SER 91 H SER 91 -7.459 -2.032 -12.060 654 HA SER 91 HA SER 91 -8.081 0.790 -12.383 655 HB2 SER 91 2HB SER 91 -5.689 -0.948 -13.167 656 HB3 SER 91 1HB SER 91 -5.712 0.814 -13.221 657 HG SER 91 HG SER 91 -6.508 -0.100 -10.828 658 HA PRO 92 HA PRO 92 -8.990 -0.063 -16.820 659 HB2 PRO 92 2HB PRO 92 -6.583 1.009 -18.118 660 HB3 PRO 92 1HB PRO 92 -8.237 1.646 -18.208 661 HG2 PRO 92 2HG PRO 92 -6.259 2.953 -16.940 662 HG3 PRO 92 1HG PRO 92 -7.963 3.058 -16.459 663 HD2 PRO 92 2HD PRO 92 -5.754 1.507 -15.213 664 HD3 PRO 92 1HD PRO 92 -7.118 2.362 -14.457 665 H GLU 93 H GLU 93 -8.791 -2.169 -17.256 666 HA GLU 93 HA GLU 93 -6.351 -3.501 -17.897 667 HB2 GLU 93 2HB GLU 93 -7.852 -4.196 -15.297 668 HB3 GLU 93 1HB GLU 93 -6.537 -5.135 -15.976 669 HG2 GLU 93 2HG GLU 93 -4.943 -3.418 -15.455 670 HG3 GLU 93 1HG GLU 93 -6.215 -2.277 -15.061 Start of MODEL 13 1 H ASP 14 1H ASP 14 1.312 -0.833 -4.176 2 HA ASP 14 HA ASP 14 2.038 -0.303 -6.940 3 HB2 ASP 14 2HB ASP 14 1.209 -2.590 -6.704 4 HB3 ASP 14 1HB ASP 14 -0.113 -2.037 -5.684 5 H ASN 15 H ASN 15 0.625 1.089 -7.920 6 HA ASN 15 HA ASN 15 -1.589 2.337 -6.694 7 HB2 ASN 15 2HB ASN 15 -0.676 4.596 -6.325 8 HB3 ASN 15 1HB ASN 15 0.126 3.434 -5.281 9 HD21 ASN 15 1HD2 ASN 15 0.955 6.089 -6.281 10 HD22 ASN 15 2HD2 ASN 15 2.486 5.825 -7.041 11 H ARG 16 H ARG 16 -0.485 1.163 -9.271 12 HA ARG 16 HA ARG 16 0.029 3.169 -11.063 13 HB2 ARG 16 2HB ARG 16 -0.973 1.414 -12.860 14 HB3 ARG 16 1HB ARG 16 0.635 1.312 -12.174 15 HG2 ARG 16 2HG ARG 16 -0.355 -0.852 -12.128 16 HG3 ARG 16 1HG ARG 16 -0.232 -0.226 -10.486 17 HD2 ARG 16 2HD ARG 16 -2.635 0.545 -10.842 18 HD3 ARG 16 1HD ARG 16 -2.679 -0.618 -12.176 19 HE ARG 16 HE ARG 16 -1.755 -1.519 -9.548 20 HH11 ARG 16 1HH1 ARG 16 -4.341 -1.819 -12.007 21 HH12 ARG 16 2HH1 ARG 16 -5.134 -3.055 -11.139 22 HH21 ARG 16 1HH2 ARG 16 -2.829 -3.073 -8.472 23 HH22 ARG 16 2HH2 ARG 16 -4.289 -3.804 -9.050 24 H HIS 17 H HIS 17 -3.189 2.018 -10.320 25 HA HIS 17 HA HIS 17 -4.323 3.831 -12.242 26 HB2 HIS 17 2HB HIS 17 -5.549 2.057 -10.149 27 HB3 HIS 17 1HB HIS 17 -6.543 3.162 -11.079 28 HD1 HIS 17 HD1 HIS 17 -6.033 2.746 -13.886 29 HD2 HIS 17 HD2 HIS 17 -5.460 -0.342 -11.179 30 HE1 HIS 17 HE1 HIS 17 -6.065 0.621 -15.236 31 H ALA 18 H ALA 18 -3.738 3.751 -8.852 32 HA ALA 18 HA ALA 18 -5.393 5.889 -8.160 33 HB1 ALA 18 1HB ALA 18 -4.775 4.151 -6.657 34 HB2 ALA 18 2HB ALA 18 -4.458 5.758 -6.005 35 HB3 ALA 18 3HB ALA 18 -3.104 4.750 -6.588 36 H ALA 19 H ALA 19 -2.334 5.892 -9.585 37 HA ALA 19 HA ALA 19 -1.302 8.363 -8.814 38 HB1 ALA 19 1HB ALA 19 -0.165 8.384 -10.985 39 HB2 ALA 19 2HB ALA 19 -1.242 7.115 -11.567 40 HB3 ALA 19 3HB ALA 19 -0.105 6.775 -10.263 41 H ASP 20 H ASP 20 -4.060 7.606 -10.826 42 HA ASP 20 HA ASP 20 -4.433 10.317 -11.798 43 HB2 ASP 20 2HB ASP 20 -5.252 8.181 -12.988 44 HB3 ASP 20 1HB ASP 20 -6.452 8.057 -11.715 45 H TYR 21 H TYR 21 -5.707 8.148 -9.335 46 HA TYR 21 HA TYR 21 -7.837 9.602 -8.274 47 HB2 TYR 21 2HB TYR 21 -7.277 7.264 -7.592 48 HB3 TYR 21 1HB TYR 21 -5.963 7.911 -6.612 49 HD1 TYR 21 HD1 TYR 21 -9.574 7.713 -7.014 50 HD2 TYR 21 HD2 TYR 21 -6.466 9.080 -4.388 51 HE1 TYR 21 HE1 TYR 21 -11.190 8.085 -5.261 52 HE2 TYR 21 HE2 TYR 21 -8.138 9.391 -2.624 53 HH TYR 21 HH TYR 21 -11.160 8.123 -2.709 54 H GLN 22 H GLN 22 -4.442 9.847 -7.623 55 HA GLN 22 HA GLN 22 -4.303 11.269 -5.309 56 HB2 GLN 22 2HB GLN 22 -2.372 10.539 -6.710 57 HB3 GLN 22 1HB GLN 22 -2.700 11.880 -7.797 58 HG2 GLN 22 2HG GLN 22 -0.938 12.614 -6.422 59 HG3 GLN 22 1HG GLN 22 -2.422 13.371 -5.818 60 HE21 GLN 22 1HE2 GLN 22 -1.513 13.758 -3.779 61 HE22 GLN 22 2HE2 GLN 22 -1.215 12.506 -2.658 62 H GLN 23 H GLN 23 -4.755 12.643 -8.541 63 HA GLN 23 HA GLN 23 -5.003 15.340 -7.800 64 HB2 GLN 23 2HB GLN 23 -6.089 13.885 -10.218 65 HB3 GLN 23 1HB GLN 23 -6.199 15.621 -10.020 66 HG2 GLN 23 2HG GLN 23 -4.372 15.027 -11.510 67 HG3 GLN 23 1HG GLN 23 -3.750 15.780 -10.049 68 HE21 GLN 23 1HE2 GLN 23 -4.056 12.788 -11.819 69 HE22 GLN 23 2HE2 GLN 23 -2.831 11.938 -10.944 70 H LEU 24 H LEU 24 -7.398 12.791 -7.878 71 HA LEU 24 HA LEU 24 -9.718 14.417 -7.572 72 HB2 LEU 24 2HB LEU 24 -10.048 12.181 -8.375 73 HB3 LEU 24 1HB LEU 24 -9.248 11.396 -7.038 74 HG LEU 24 HG LEU 24 -11.920 12.807 -6.904 75 HD11 LEU 24 1HD1 LEU 24 -11.969 10.945 -8.465 76 HD12 LEU 24 2HD1 LEU 24 -12.849 10.549 -6.990 77 HD13 LEU 24 3HD1 LEU 24 -11.232 9.896 -7.254 78 HD21 LEU 24 1HD2 LEU 24 -10.607 10.821 -5.041 79 HD22 LEU 24 2HD2 LEU 24 -12.233 11.480 -4.875 80 HD23 LEU 24 3HD2 LEU 24 -10.831 12.541 -4.715 81 H ARG 25 H ARG 25 -7.291 13.214 -5.435 82 HA ARG 25 HA ARG 25 -8.961 13.577 -3.132 83 HB2 ARG 25 2HB ARG 25 -7.658 11.602 -3.138 84 HB3 ARG 25 1HB ARG 25 -6.191 12.496 -3.500 85 HG2 ARG 25 2HG ARG 25 -5.975 13.289 -1.355 86 HG3 ARG 25 1HG ARG 25 -7.695 13.138 -1.033 87 HD2 ARG 25 2HD ARG 25 -6.669 11.459 0.216 88 HD3 ARG 25 1HD ARG 25 -7.495 10.790 -1.176 89 HE ARG 25 HE ARG 25 -5.430 9.602 -0.843 90 HH11 ARG 25 1HH1 ARG 25 -4.549 12.906 -2.242 91 HH12 ARG 25 2HH1 ARG 25 -3.219 12.299 -2.974 92 HH21 ARG 25 1HH2 ARG 25 -3.593 8.939 -1.876 93 HH22 ARG 25 2HH2 ARG 25 -2.624 9.998 -2.841 94 H GLU 26 H GLU 26 -6.224 14.965 -4.718 95 HA GLU 26 HA GLU 26 -5.556 16.828 -2.769 96 HB2 GLU 26 2HB GLU 26 -5.362 17.328 -5.740 97 HB3 GLU 26 1HB GLU 26 -4.352 17.952 -4.453 98 HG2 GLU 26 2HG GLU 26 -4.396 15.163 -5.556 99 HG3 GLU 26 1HG GLU 26 -3.099 16.338 -5.664 100 H ARG 27 H ARG 27 -7.922 16.862 -5.394 101 HA ARG 27 HA ARG 27 -8.846 19.458 -4.710 102 HB2 ARG 27 2HB ARG 27 -9.378 18.762 -6.962 103 HB3 ARG 27 1HB ARG 27 -10.190 17.309 -6.364 104 HG2 ARG 27 2HG ARG 27 -11.871 18.654 -5.268 105 HG3 ARG 27 1HG ARG 27 -11.069 20.121 -5.785 106 HD2 ARG 27 2HD ARG 27 -11.718 19.770 -8.034 107 HD3 ARG 27 1HD ARG 27 -12.220 18.105 -7.707 108 HE ARG 27 HE ARG 27 -13.992 18.934 -6.333 109 HH11 ARG 27 1HH1 ARG 27 -12.595 21.361 -8.480 110 HH12 ARG 27 2HH1 ARG 27 -13.884 22.467 -8.285 111 HH21 ARG 27 1HH2 ARG 27 -15.655 20.367 -5.998 112 HH22 ARG 27 2HH2 ARG 27 -15.746 21.868 -6.794 113 H LEU 28 H LEU 28 -9.765 16.161 -3.724 114 HA LEU 28 HA LEU 28 -12.142 16.806 -2.548 115 HB2 LEU 28 2HB LEU 28 -10.818 14.473 -2.940 116 HB3 LEU 28 1HB LEU 28 -10.581 14.602 -1.232 117 HG LEU 28 HG LEU 28 -13.283 15.000 -2.421 118 HD11 LEU 28 1HD1 LEU 28 -12.042 12.364 -1.677 119 HD12 LEU 28 2HD1 LEU 28 -12.597 12.876 -3.272 120 HD13 LEU 28 3HD1 LEU 28 -13.761 12.611 -1.977 121 HD21 LEU 28 1HD2 LEU 28 -13.045 15.628 -0.091 122 HD22 LEU 28 2HD2 LEU 28 -12.395 14.037 0.299 123 HD23 LEU 28 3HD2 LEU 28 -14.070 14.202 -0.222 124 H ILE 29 H ILE 29 -8.956 17.283 -1.298 125 HA ILE 29 HA ILE 29 -9.625 17.936 1.350 126 HB ILE 29 HB ILE 29 -7.426 19.040 -0.439 127 HG12 ILE 29 2HG1 ILE 29 -7.492 16.841 1.617 128 HG13 ILE 29 1HG1 ILE 29 -7.269 16.655 -0.116 129 HG21 ILE 29 1HG2 ILE 29 -6.279 19.765 1.604 130 HG22 ILE 29 2HG2 ILE 29 -7.677 19.281 2.561 131 HG23 ILE 29 3HG2 ILE 29 -7.819 20.600 1.399 132 HD11 ILE 29 1HD1 ILE 29 -5.376 17.908 1.842 133 HD12 ILE 29 2HD1 ILE 29 -5.095 17.799 0.091 134 HD13 ILE 29 3HD1 ILE 29 -5.215 16.331 1.077 135 H GLN 30 H GLN 30 -9.437 19.965 -1.525 136 HA GLN 30 HA GLN 30 -10.307 22.390 -0.285 137 HB2 GLN 30 2HB GLN 30 -8.934 22.441 -2.275 138 HB3 GLN 30 1HB GLN 30 -10.126 21.517 -3.170 139 HG2 GLN 30 2HG GLN 30 -11.695 23.411 -2.971 140 HG3 GLN 30 1HG GLN 30 -10.436 24.335 -2.151 141 HE21 GLN 30 1HE2 GLN 30 -8.689 25.067 -3.327 142 HE22 GLN 30 2HE2 GLN 30 -8.695 25.099 -5.060 143 H GLU 31 H GLU 31 -11.845 19.762 -1.915 144 HA GLU 31 HA GLU 31 -14.218 20.665 -2.868 145 HB2 GLU 31 2HB GLU 31 -13.259 18.419 -3.042 146 HB3 GLU 31 1HB GLU 31 -13.832 18.053 -1.416 147 HG2 GLU 31 2HG GLU 31 -15.331 17.098 -3.005 148 HG3 GLU 31 1HG GLU 31 -16.141 18.476 -2.255 149 H LEU 32 H LEU 32 -13.815 19.352 0.465 150 HA LEU 32 HA LEU 32 -16.267 20.832 1.179 151 HB2 LEU 32 2HB LEU 32 -14.873 18.649 2.705 152 HB3 LEU 32 1HB LEU 32 -16.368 19.426 3.160 153 HG LEU 32 HG LEU 32 -15.982 17.712 0.717 154 HD11 LEU 32 1HD1 LEU 32 -17.374 16.109 1.946 155 HD12 LEU 32 2HD1 LEU 32 -17.299 17.149 3.369 156 HD13 LEU 32 3HD1 LEU 32 -15.831 16.402 2.734 157 HD21 LEU 32 1HD2 LEU 32 -18.464 18.949 1.915 158 HD22 LEU 32 2HD2 LEU 32 -18.433 17.820 0.563 159 HD23 LEU 32 3HD2 LEU 32 -17.704 19.414 0.393 160 H ASN 33 H ASN 33 -13.248 21.601 1.028 161 HA ASN 33 HA ASN 33 -11.729 22.859 2.118 162 HB2 ASN 33 2HB ASN 33 -14.178 23.802 3.650 163 HB3 ASN 33 1HB ASN 33 -12.592 24.543 3.807 164 HD21 ASN 33 1HD2 ASN 33 -15.361 24.126 1.807 165 HD22 ASN 33 2HD2 ASN 33 -14.942 25.335 0.629 166 H LEU 34 H LEU 34 -11.749 20.329 2.860 167 HA LEU 34 HA LEU 34 -11.787 20.052 5.737 168 HB2 LEU 34 2HB LEU 34 -10.743 18.178 3.600 169 HB3 LEU 34 1HB LEU 34 -10.851 17.805 5.300 170 HG LEU 34 HG LEU 34 -13.454 18.481 4.501 171 HD11 LEU 34 1HD1 LEU 34 -12.103 16.605 2.549 172 HD12 LEU 34 2HD1 LEU 34 -12.801 18.169 2.153 173 HD13 LEU 34 3HD1 LEU 34 -13.839 16.836 2.636 174 HD21 LEU 34 1HD2 LEU 34 -12.952 16.867 6.203 175 HD22 LEU 34 2HD2 LEU 34 -12.119 15.839 5.043 176 HD23 LEU 34 3HD2 LEU 34 -13.861 16.062 4.920 177 H THR 35 H THR 35 -10.024 20.417 6.994 178 HA THR 35 HA THR 35 -7.615 21.280 5.702 179 HB THR 35 HB THR 35 -6.748 21.570 8.030 180 HG1 THR 35 1HG THR 35 -9.323 20.703 8.932 181 HG21 THR 35 1HG2 THR 35 -8.327 23.314 8.754 182 HG22 THR 35 2HG2 THR 35 -9.527 22.687 7.623 183 HG23 THR 35 3HG2 THR 35 -8.029 23.395 7.017 184 HA PRO 36 HA PRO 36 -5.545 17.300 5.609 185 HB2 PRO 36 2HB PRO 36 -3.140 18.514 6.862 186 HB3 PRO 36 1HB PRO 36 -3.298 17.737 5.273 187 HG2 PRO 36 2HG PRO 36 -3.004 20.347 5.428 188 HG3 PRO 36 1HG PRO 36 -4.120 19.625 4.252 189 HD2 PRO 36 2HD PRO 36 -4.750 20.947 6.858 190 HD3 PRO 36 1HD PRO 36 -5.569 21.091 5.288 191 H GLN 37 H GLN 37 -6.212 18.839 8.464 192 HA GLN 37 HA GLN 37 -5.048 16.942 10.325 193 HB2 GLN 37 2HB GLN 37 -7.230 18.962 10.837 194 HB3 GLN 37 1HB GLN 37 -6.155 18.227 12.015 195 HG2 GLN 37 2HG GLN 37 -4.275 19.450 11.082 196 HG3 GLN 37 1HG GLN 37 -5.331 20.156 9.858 197 HE21 GLN 37 1HE2 GLN 37 -6.959 21.621 10.535 198 HE22 GLN 37 2HE2 GLN 37 -6.774 22.475 12.035 199 H GLN 38 H GLN 38 -7.952 17.464 8.503 200 HA GLN 38 HA GLN 38 -9.314 15.282 9.938 201 HB2 GLN 38 2HB GLN 38 -11.429 16.312 9.252 202 HB3 GLN 38 1HB GLN 38 -10.450 17.495 10.125 203 HG2 GLN 38 2HG GLN 38 -9.708 18.221 7.780 204 HG3 GLN 38 1HG GLN 38 -11.097 17.288 7.235 205 HE21 GLN 38 1HE2 GLN 38 -13.178 18.025 7.743 206 HE22 GLN 38 2HE2 GLN 38 -13.431 19.644 8.279 207 H LEU 39 H LEU 39 -7.879 16.248 7.000 208 HA LEU 39 HA LEU 39 -9.366 14.179 5.614 209 HB2 LEU 39 2HB LEU 39 -9.399 16.541 4.596 210 HB3 LEU 39 1HB LEU 39 -7.712 16.303 4.230 211 HG LEU 39 HG LEU 39 -9.255 15.977 2.296 212 HD11 LEU 39 1HD1 LEU 39 -7.035 14.950 2.277 213 HD12 LEU 39 2HD1 LEU 39 -8.235 13.986 1.410 214 HD13 LEU 39 3HD1 LEU 39 -7.719 13.503 3.026 215 HD21 LEU 39 1HD2 LEU 39 -11.098 14.924 3.499 216 HD22 LEU 39 2HD2 LEU 39 -10.099 13.481 3.747 217 HD23 LEU 39 3HD2 LEU 39 -10.565 13.963 2.120 218 H HIS 40 H HIS 40 -8.313 12.549 6.311 219 HA HIS 40 HA HIS 40 -5.907 12.018 4.823 220 HB2 HIS 40 2HB HIS 40 -5.299 12.083 7.283 221 HB3 HIS 40 1HB HIS 40 -6.568 10.908 7.601 222 HD1 HIS 40 HD1 HIS 40 -5.589 8.688 7.981 223 HD2 HIS 40 HD2 HIS 40 -3.447 10.808 5.133 224 HE1 HIS 40 HE1 HIS 40 -3.902 7.090 7.098 225 H GLU 41 H GLU 41 -6.025 9.431 4.450 226 HA GLU 41 HA GLU 41 -8.634 9.472 3.430 227 HB2 GLU 41 2HB GLU 41 -7.985 7.539 1.911 228 HB3 GLU 41 1HB GLU 41 -7.311 9.122 1.637 229 HG2 GLU 41 2HG GLU 41 -5.223 8.388 2.693 230 HG3 GLU 41 1HG GLU 41 -5.921 6.774 2.895 231 H GLU 42 H GLU 42 -7.943 8.230 6.258 232 HA GLU 42 HA GLU 42 -9.691 5.917 5.858 233 HB2 GLU 42 2HB GLU 42 -9.051 5.179 8.055 234 HB3 GLU 42 1HB GLU 42 -7.610 5.881 7.392 235 HG2 GLU 42 2HG GLU 42 -9.439 7.415 9.215 236 HG3 GLU 42 1HG GLU 42 -8.081 6.452 9.785 237 H SER 43 H SER 43 -9.861 9.133 6.347 238 HA SER 43 HA SER 43 -11.942 9.470 8.185 239 HB2 SER 43 2HB SER 43 -10.346 11.228 7.406 240 HB3 SER 43 1HB SER 43 -11.174 11.244 5.856 241 HG SER 43 HG SER 43 -11.695 12.792 7.659 242 H ASN 44 H ASN 44 -14.092 9.609 7.959 243 HA ASN 44 HA ASN 44 -15.321 8.333 5.651 244 HB2 ASN 44 2HB ASN 44 -15.992 7.625 7.947 245 HB3 ASN 44 1HB ASN 44 -16.577 9.250 8.264 246 HD21 ASN 44 1HD2 ASN 44 -17.971 6.681 8.312 247 HD22 ASN 44 2HD2 ASN 44 -19.302 6.838 7.217 248 H LEU 45 H LEU 45 -15.866 9.512 4.053 249 HA LEU 45 HA LEU 45 -15.922 12.355 4.175 250 HB2 LEU 45 2HB LEU 45 -16.572 10.526 1.894 251 HB3 LEU 45 1HB LEU 45 -16.299 12.255 1.781 252 HG LEU 45 HG LEU 45 -14.245 10.238 2.679 253 HD11 LEU 45 1HD1 LEU 45 -14.814 10.021 0.338 254 HD12 LEU 45 2HD1 LEU 45 -13.184 10.629 0.583 255 HD13 LEU 45 3HD1 LEU 45 -14.473 11.740 0.092 256 HD21 LEU 45 1HD2 LEU 45 -12.674 12.102 2.441 257 HD22 LEU 45 2HD2 LEU 45 -13.863 12.383 3.704 258 HD23 LEU 45 3HD2 LEU 45 -14.019 13.210 2.147 259 H ILE 46 H ILE 46 -18.421 9.979 4.400 260 HA ILE 46 HA ILE 46 -20.529 11.669 3.434 261 HB ILE 46 HB ILE 46 -20.652 9.222 5.236 262 HG12 ILE 46 2HG1 ILE 46 -19.728 8.712 3.021 263 HG13 ILE 46 1HG1 ILE 46 -21.304 7.962 3.238 264 HG21 ILE 46 1HG2 ILE 46 -22.904 10.593 3.772 265 HG22 ILE 46 2HG2 ILE 46 -22.659 10.555 5.518 266 HG23 ILE 46 3HG2 ILE 46 -23.031 9.066 4.648 267 HD11 ILE 46 1HD1 ILE 46 -21.077 8.822 1.019 268 HD12 ILE 46 2HD1 ILE 46 -20.670 10.426 1.638 269 HD13 ILE 46 3HD1 ILE 46 -22.292 9.761 1.889 270 H GLN 47 H GLN 47 -19.013 10.972 6.460 271 HA GLN 47 HA GLN 47 -20.849 12.519 8.057 272 HB2 GLN 47 2HB GLN 47 -18.120 11.433 8.786 273 HB3 GLN 47 1HB GLN 47 -19.294 12.096 9.910 274 HG2 GLN 47 2HG GLN 47 -19.565 9.570 8.294 275 HG3 GLN 47 1HG GLN 47 -19.305 9.693 10.031 276 HE21 GLN 47 1HE2 GLN 47 -21.034 10.370 11.347 277 HE22 GLN 47 2HE2 GLN 47 -22.661 10.316 10.754 278 H ALA 48 H ALA 48 -18.119 13.086 6.163 279 HA ALA 48 HA ALA 48 -17.352 15.557 7.436 280 HB1 ALA 48 1HB ALA 48 -15.768 15.775 5.599 281 HB2 ALA 48 2HB ALA 48 -16.503 14.396 4.782 282 HB3 ALA 48 3HB ALA 48 -15.660 14.167 6.317 283 H GLY 49 H GLY 49 -19.633 14.493 5.171 284 HA2 GLY 49 2HA GLY 49 -21.447 15.820 4.644 285 HA3 GLY 49 1HA GLY 49 -20.443 17.262 4.755 286 H LEU 50 H LEU 50 -19.390 14.453 2.897 287 HA LEU 50 HA LEU 50 -19.410 15.894 0.363 288 HB2 LEU 50 2HB LEU 50 -18.002 13.777 1.389 289 HB3 LEU 50 1HB LEU 50 -19.281 12.968 0.495 290 HG LEU 50 HG LEU 50 -18.694 14.383 -1.432 291 HD11 LEU 50 1HD1 LEU 50 -17.358 16.120 -0.430 292 HD12 LEU 50 2HD1 LEU 50 -16.337 15.199 -1.535 293 HD13 LEU 50 3HD1 LEU 50 -16.198 14.959 0.201 294 HD21 LEU 50 1HD2 LEU 50 -16.831 12.988 -2.078 295 HD22 LEU 50 2HD2 LEU 50 -18.176 12.101 -1.328 296 HD23 LEU 50 3HD2 LEU 50 -16.698 12.435 -0.401 297 H ASP 51 H ASP 51 -21.168 16.235 -0.753 298 HA ASP 51 HA ASP 51 -23.534 14.857 0.145 299 HB2 ASP 51 2HB ASP 51 -24.758 16.304 -1.432 300 HB3 ASP 51 1HB ASP 51 -23.697 17.248 -0.392 301 H SER 52 H SER 52 -25.047 13.916 -1.531 302 HA SER 52 HA SER 52 -23.589 11.841 -2.718 303 HB2 SER 52 2HB SER 52 -26.493 12.416 -3.197 304 HB3 SER 52 1HB SER 52 -25.554 10.901 -3.290 305 HG SER 52 HG SER 52 -25.441 10.758 -1.178 306 H ILE 53 H ILE 53 -24.559 14.943 -3.988 307 HA ILE 53 HA ILE 53 -24.468 13.979 -6.684 308 HB ILE 53 HB ILE 53 -24.212 16.860 -5.759 309 HG12 ILE 53 2HG1 ILE 53 -26.405 15.936 -5.104 310 HG13 ILE 53 1HG1 ILE 53 -26.591 17.107 -6.401 311 HG21 ILE 53 1HG2 ILE 53 -24.882 15.755 -8.509 312 HG22 ILE 53 2HG2 ILE 53 -23.298 16.270 -8.053 313 HG23 ILE 53 3HG2 ILE 53 -24.619 17.457 -8.106 314 HD11 ILE 53 1HD1 ILE 53 -26.656 14.103 -6.687 315 HD12 ILE 53 2HD1 ILE 53 -26.815 15.259 -8.008 316 HD13 ILE 53 3HD1 ILE 53 -28.042 15.193 -6.742 317 H ARG 54 H ARG 54 -22.426 15.669 -4.373 318 HA ARG 54 HA ARG 54 -20.085 16.097 -5.770 319 HB2 ARG 54 2HB ARG 54 -20.837 16.458 -3.280 320 HB3 ARG 54 1HB ARG 54 -20.121 14.879 -3.042 321 HG2 ARG 54 2HG ARG 54 -18.435 16.333 -2.486 322 HG3 ARG 54 1HG ARG 54 -18.054 15.901 -4.160 323 HD2 ARG 54 2HD ARG 54 -17.861 18.277 -3.854 324 HD3 ARG 54 1HD ARG 54 -19.258 17.887 -4.900 325 HE ARG 54 HE ARG 54 -20.641 18.222 -2.889 326 HH11 ARG 54 1HH1 ARG 54 -17.542 19.955 -3.235 327 HH12 ARG 54 2HH1 ARG 54 -17.878 21.076 -2.035 328 HH21 ARG 54 1HH2 ARG 54 -21.164 19.701 -1.405 329 HH22 ARG 54 2HH2 ARG 54 -20.117 20.986 -0.928 330 H LEU 55 H LEU 55 -21.230 13.355 -3.977 331 HA LEU 55 HA LEU 55 -19.166 11.568 -4.210 332 HB2 LEU 55 2HB LEU 55 -21.473 11.574 -2.828 333 HB3 LEU 55 1HB LEU 55 -22.024 10.755 -4.220 334 HG LEU 55 HG LEU 55 -20.893 8.784 -3.790 335 HD11 LEU 55 1HD1 LEU 55 -19.004 8.626 -2.263 336 HD12 LEU 55 2HD1 LEU 55 -19.069 10.368 -1.962 337 HD13 LEU 55 3HD1 LEU 55 -18.615 9.767 -3.549 338 HD21 LEU 55 1HD2 LEU 55 -21.234 8.319 -1.449 339 HD22 LEU 55 2HD2 LEU 55 -22.561 9.313 -2.068 340 HD23 LEU 55 3HD2 LEU 55 -21.268 10.045 -1.105 341 H MET 56 H MET 56 -22.032 11.944 -6.289 342 HA MET 56 HA MET 56 -21.030 9.911 -8.074 343 HB2 MET 56 2HB MET 56 -22.980 10.296 -9.476 344 HB3 MET 56 1HB MET 56 -23.425 10.058 -7.793 345 HG2 MET 56 2HG MET 56 -23.817 12.358 -7.497 346 HG3 MET 56 1HG MET 56 -23.184 12.746 -9.097 347 HE1 MET 56 HE1 MET 56 -25.416 9.686 -8.129 348 HE2 MET 56 HE2 MET 56 -27.045 10.332 -8.346 349 HE3 MET 56 HE3 MET 56 -26.002 10.960 -7.066 350 H ARG 57 H ARG 57 -20.673 13.313 -7.822 351 HA ARG 57 HA ARG 57 -20.228 13.841 -10.486 352 HB2 ARG 57 2HB ARG 57 -18.991 15.179 -8.073 353 HB3 ARG 57 1HB ARG 57 -18.660 15.716 -9.705 354 HG2 ARG 57 2HG ARG 57 -21.274 15.756 -8.239 355 HG3 ARG 57 1HG ARG 57 -20.318 17.148 -8.750 356 HD2 ARG 57 2HD ARG 57 -21.995 17.094 -10.366 357 HD3 ARG 57 1HD ARG 57 -20.718 16.169 -11.152 358 HE ARG 57 HE ARG 57 -22.677 14.702 -9.601 359 HH11 ARG 57 1HH1 ARG 57 -21.505 15.565 -12.840 360 HH12 ARG 57 2HH1 ARG 57 -22.521 14.497 -13.681 361 HH21 ARG 57 1HH2 ARG 57 -24.175 13.210 -10.794 362 HH22 ARG 57 2HH2 ARG 57 -24.086 13.141 -12.478 363 H TRP 58 H TRP 58 -18.271 12.733 -7.819 364 HA TRP 58 HA TRP 58 -15.785 12.579 -9.000 365 HB2 TRP 58 2HB TRP 58 -17.020 11.156 -6.692 366 HB3 TRP 58 1HB TRP 58 -15.399 10.757 -7.237 367 HD1 TRP 58 HD1 TRP 58 -16.778 12.571 -4.549 368 HE1 TRP 58 HE1 TRP 58 -15.310 14.447 -3.785 369 HE3 TRP 58 HE3 TRP 58 -13.923 13.098 -8.783 370 HZ2 TRP 58 HZ2 TRP 58 -13.091 16.045 -4.891 371 HZ3 TRP 58 HZ3 TRP 58 -12.213 14.829 -8.829 372 HH2 TRP 58 HH2 TRP 58 -11.830 16.267 -6.922 373 H LEU 59 H LEU 59 -18.428 10.272 -9.060 374 HA LEU 59 HA LEU 59 -17.101 8.029 -10.069 375 HB2 LEU 59 2HB LEU 59 -19.496 8.009 -9.427 376 HB3 LEU 59 1HB LEU 59 -19.860 8.999 -10.829 377 HG LEU 59 HG LEU 59 -19.044 7.183 -12.273 378 HD11 LEU 59 1HD1 LEU 59 -17.624 6.003 -10.729 379 HD12 LEU 59 2HD1 LEU 59 -18.871 4.916 -11.341 380 HD13 LEU 59 3HD1 LEU 59 -19.009 5.594 -9.718 381 HD21 LEU 59 1HD2 LEU 59 -21.421 7.490 -11.892 382 HD22 LEU 59 2HD2 LEU 59 -21.342 6.448 -10.462 383 HD23 LEU 59 3HD2 LEU 59 -21.009 5.787 -12.070 384 H HIS 60 H HIS 60 -18.270 10.879 -11.670 385 HA HIS 60 HA HIS 60 -17.768 10.040 -14.350 386 HB2 HIS 60 2HB HIS 60 -18.216 12.783 -13.140 387 HB3 HIS 60 1HB HIS 60 -18.062 12.491 -14.866 388 HD1 HIS 60 HD1 HIS 60 -20.399 11.360 -11.987 389 HD2 HIS 60 HD2 HIS 60 -20.410 12.068 -16.093 390 HE1 HIS 60 HE1 HIS 60 -22.752 11.060 -12.742 391 H TRP 61 H TRP 61 -15.965 11.580 -11.823 392 HA TRP 61 HA TRP 61 -13.871 12.585 -13.454 393 HB2 TRP 61 2HB TRP 61 -14.499 13.388 -11.109 394 HB3 TRP 61 1HB TRP 61 -13.694 11.938 -10.512 395 HD1 TRP 61 HD1 TRP 61 -13.013 15.389 -11.837 396 HE1 TRP 61 HE1 TRP 61 -10.498 15.886 -11.737 397 HE3 TRP 61 HE3 TRP 61 -11.339 10.741 -10.623 398 HZ2 TRP 61 HZ2 TRP 61 -8.123 14.487 -11.209 399 HZ3 TRP 61 HZ3 TRP 61 -8.937 10.405 -10.334 400 HH2 TRP 61 HH2 TRP 61 -7.371 12.219 -10.621 401 H PHE 62 H PHE 62 -14.415 9.572 -11.708 402 HA PHE 62 HA PHE 62 -11.837 8.407 -12.291 403 HB2 PHE 62 2HB PHE 62 -14.530 7.107 -11.804 404 HB3 PHE 62 1HB PHE 62 -13.048 6.207 -12.039 405 HD1 PHE 62 HD1 PHE 62 -11.480 5.944 -10.266 406 HD2 PHE 62 HD2 PHE 62 -14.888 8.436 -9.783 407 HE1 PHE 62 HE1 PHE 62 -11.127 5.969 -7.829 408 HE2 PHE 62 HE2 PHE 62 -14.531 8.472 -7.358 409 HZ PHE 62 HZ PHE 62 -12.652 7.235 -6.379 410 H ARG 63 H ARG 63 -14.996 7.960 -13.725 411 HA ARG 63 HA ARG 63 -14.285 6.339 -15.851 412 HB2 ARG 63 2HB ARG 63 -16.611 8.198 -15.389 413 HB3 ARG 63 1HB ARG 63 -16.516 7.132 -16.815 414 HG2 ARG 63 2HG ARG 63 -16.220 5.961 -14.115 415 HG3 ARG 63 1HG ARG 63 -17.817 6.521 -14.606 416 HD2 ARG 63 2HD ARG 63 -17.490 4.158 -15.101 417 HD3 ARG 63 1HD ARG 63 -17.749 5.098 -16.562 418 HE ARG 63 HE ARG 63 -15.008 4.469 -15.739 419 HH11 ARG 63 1HH1 ARG 63 -17.633 3.967 -18.051 420 HH12 ARG 63 2HH1 ARG 63 -16.684 3.211 -19.239 421 HH21 ARG 63 1HH2 ARG 63 -13.655 3.405 -17.339 422 HH22 ARG 63 2HH2 ARG 63 -14.321 2.882 -18.810 423 H LYS 64 H LYS 64 -14.013 9.747 -15.538 424 HA LYS 64 HA LYS 64 -13.631 11.048 -17.851 425 HB2 LYS 64 2HB LYS 64 -13.165 12.033 -15.741 426 HB3 LYS 64 1HB LYS 64 -11.870 10.904 -15.423 427 HG2 LYS 64 2HG LYS 64 -10.637 11.991 -17.362 428 HG3 LYS 64 1HG LYS 64 -11.881 13.240 -17.320 429 HD2 LYS 64 2HD LYS 64 -10.230 14.177 -15.963 430 HD3 LYS 64 1HD LYS 64 -11.276 13.409 -14.783 431 HE2 LYS 64 2HE LYS 64 -8.650 12.263 -15.831 432 HE3 LYS 64 1HE LYS 64 -8.850 13.080 -14.297 433 HZ1 LYS 64 1HZ LYS 64 -10.421 11.182 -13.689 434 HZ2 LYS 64 2HZ LYS 64 -8.816 10.765 -13.837 435 HZ3 LYS 64 3HZ LYS 64 -9.870 10.391 -15.073 436 H ASN 65 H ASN 65 -11.240 8.865 -16.403 437 HA ASN 65 HA ASN 65 -9.655 9.087 -18.881 438 HB2 ASN 65 2HB ASN 65 -8.653 10.263 -16.906 439 HB3 ASN 65 1HB ASN 65 -8.588 8.738 -16.048 440 HD21 ASN 65 1HD2 ASN 65 -6.301 9.211 -15.821 441 HD22 ASN 65 2HD2 ASN 65 -5.250 8.828 -17.139 442 H GLY 66 H GLY 66 -11.755 7.258 -18.185 443 HA2 GLY 66 2HA GLY 66 -12.048 5.074 -18.969 444 HA3 GLY 66 1HA GLY 66 -10.313 4.831 -18.867 445 H TYR 67 H TYR 67 -10.842 6.095 -16.035 446 HA TYR 67 HA TYR 67 -10.565 3.679 -14.640 447 HB2 TYR 67 2HB TYR 67 -11.117 6.463 -13.626 448 HB3 TYR 67 1HB TYR 67 -10.871 5.082 -12.554 449 HD1 TYR 67 HD1 TYR 67 -9.302 6.917 -15.338 450 HD2 TYR 67 HD2 TYR 67 -8.802 4.465 -11.974 451 HE1 TYR 67 HE1 TYR 67 -6.850 7.088 -15.617 452 HE2 TYR 67 HE2 TYR 67 -6.357 4.633 -12.209 453 HH TYR 67 HH TYR 67 -4.836 6.822 -14.209 454 H ARG 68 H ARG 68 -11.971 3.082 -12.739 455 HA ARG 68 HA ARG 68 -14.738 3.173 -13.585 456 HB2 ARG 68 2HB ARG 68 -14.864 0.770 -14.076 457 HB3 ARG 68 1HB ARG 68 -13.861 1.653 -15.223 458 HG2 ARG 68 2HG ARG 68 -11.852 0.853 -14.173 459 HG3 ARG 68 1HG ARG 68 -12.780 0.101 -12.880 460 HD2 ARG 68 2HD ARG 68 -12.104 -1.584 -14.403 461 HD3 ARG 68 1HD ARG 68 -13.838 -1.346 -14.569 462 HE ARG 68 HE ARG 68 -12.210 0.124 -16.431 463 HH11 ARG 68 1HH1 ARG 68 -14.214 -2.741 -15.796 464 HH12 ARG 68 2HH1 ARG 68 -13.984 -3.372 -17.368 465 HH21 ARG 68 1HH2 ARG 68 -12.036 -0.877 -18.737 466 HH22 ARG 68 2HH2 ARG 68 -12.845 -2.388 -18.917 467 H LEU 69 H LEU 69 -15.993 2.875 -11.935 468 HA LEU 69 HA LEU 69 -15.732 0.616 -10.275 469 HB2 LEU 69 2HB LEU 69 -15.441 1.567 -8.109 470 HB3 LEU 69 1HB LEU 69 -14.156 2.228 -9.083 471 HG LEU 69 HG LEU 69 -16.642 3.647 -8.139 472 HD11 LEU 69 1HD1 LEU 69 -14.974 3.306 -6.440 473 HD12 LEU 69 2HD1 LEU 69 -15.050 5.015 -6.899 474 HD13 LEU 69 3HD1 LEU 69 -13.734 4.001 -7.485 475 HD21 LEU 69 1HD2 LEU 69 -14.381 4.732 -9.814 476 HD22 LEU 69 2HD2 LEU 69 -15.713 5.669 -9.138 477 HD23 LEU 69 3HD2 LEU 69 -16.028 4.444 -10.369 478 H THR 70 H THR 70 -17.604 0.848 -8.528 479 HA THR 70 HA THR 70 -19.714 2.309 -9.909 480 HB THR 70 HB THR 70 -21.320 0.685 -8.798 481 HG1 THR 70 1HG THR 70 -18.891 -0.345 -7.924 482 HG21 THR 70 1HG2 THR 70 -20.937 -1.145 -10.397 483 HG22 THR 70 2HG2 THR 70 -19.319 -0.521 -10.714 484 HG23 THR 70 3HG2 THR 70 -20.733 0.433 -11.158 485 H LEU 71 H LEU 71 -21.054 3.586 -8.660 486 HA LEU 71 HA LEU 71 -19.732 4.816 -6.510 487 HB2 LEU 71 2HB LEU 71 -21.456 5.771 -8.146 488 HB3 LEU 71 1HB LEU 71 -22.599 5.032 -7.034 489 HG LEU 71 HG LEU 71 -21.783 6.404 -5.205 490 HD11 LEU 71 1HD1 LEU 71 -20.209 7.596 -7.397 491 HD12 LEU 71 2HD1 LEU 71 -19.551 6.686 -6.034 492 HD13 LEU 71 3HD1 LEU 71 -20.294 8.284 -5.771 493 HD21 LEU 71 1HD2 LEU 71 -22.747 8.504 -5.970 494 HD22 LEU 71 2HD2 LEU 71 -23.707 7.138 -6.549 495 HD23 LEU 71 3HD2 LEU 71 -22.603 7.972 -7.643 496 H ARG 72 H ARG 72 -22.008 2.271 -6.656 497 HA ARG 72 HA ARG 72 -23.127 2.357 -4.081 498 HB2 ARG 72 2HB ARG 72 -23.714 -0.019 -4.453 499 HB3 ARG 72 1HB ARG 72 -24.088 0.932 -5.867 500 HG2 ARG 72 2HG ARG 72 -23.113 -0.818 -6.911 501 HG3 ARG 72 1HG ARG 72 -21.643 0.090 -6.557 502 HD2 ARG 72 2HD ARG 72 -21.622 -1.194 -4.358 503 HD3 ARG 72 1HD ARG 72 -22.793 -2.263 -5.130 504 HE ARG 72 HE ARG 72 -20.362 -1.752 -6.605 505 HH11 ARG 72 1HH1 ARG 72 -22.163 -4.109 -4.705 506 HH12 ARG 72 2HH1 ARG 72 -20.942 -5.297 -4.680 507 HH21 ARG 72 1HH2 ARG 72 -18.541 -3.349 -6.471 508 HH22 ARG 72 2HH2 ARG 72 -18.811 -4.843 -5.746 509 H GLU 73 H GLU 73 -19.984 1.747 -5.056 510 HA GLU 73 HA GLU 73 -19.261 0.023 -2.814 511 HB2 GLU 73 2HB GLU 73 -17.554 1.249 -5.009 512 HB3 GLU 73 1HB GLU 73 -16.985 0.070 -3.822 513 HG2 GLU 73 2HG GLU 73 -18.472 -1.582 -4.636 514 HG3 GLU 73 1HG GLU 73 -19.286 -0.400 -5.645 515 H LEU 74 H LEU 74 -19.264 3.324 -3.689 516 HA LEU 74 HA LEU 74 -17.354 4.177 -1.665 517 HB2 LEU 74 2HB LEU 74 -19.214 5.911 -3.287 518 HB3 LEU 74 1HB LEU 74 -17.769 6.412 -2.436 519 HG LEU 74 HG LEU 74 -17.977 4.846 -4.989 520 HD11 LEU 74 1HD1 LEU 74 -16.441 7.334 -4.319 521 HD12 LEU 74 2HD1 LEU 74 -18.014 7.318 -5.078 522 HD13 LEU 74 3HD1 LEU 74 -16.627 6.603 -5.913 523 HD21 LEU 74 1HD2 LEU 74 -15.531 4.586 -4.920 524 HD22 LEU 74 2HD2 LEU 74 -16.345 3.684 -3.646 525 HD23 LEU 74 3HD2 LEU 74 -15.530 5.203 -3.269 526 H TYR 75 H TYR 75 -20.738 3.749 -1.975 527 HA TYR 75 HA TYR 75 -21.334 5.118 0.502 528 HB2 TYR 75 2HB TYR 75 -22.991 3.326 -1.265 529 HB3 TYR 75 1HB TYR 75 -23.568 3.972 0.275 530 HD1 TYR 75 HD1 TYR 75 -22.924 4.641 -3.240 531 HD2 TYR 75 HD2 TYR 75 -24.054 6.365 0.477 532 HE1 TYR 75 HE1 TYR 75 -23.835 6.589 -4.423 533 HE2 TYR 75 HE2 TYR 75 -24.958 8.325 -0.697 534 HH TYR 75 HH TYR 75 -25.498 8.352 -4.030 535 H ALA 76 H ALA 76 -20.641 1.875 -0.610 536 HA ALA 76 HA ALA 76 -21.498 0.461 1.684 537 HB1 ALA 76 1HB ALA 76 -21.115 -0.637 -0.482 538 HB2 ALA 76 2HB ALA 76 -20.178 -1.402 0.801 539 HB3 ALA 76 3HB ALA 76 -19.388 -0.310 -0.337 540 H ALA 77 H ALA 77 -18.320 1.636 0.667 541 HA ALA 77 HA ALA 77 -17.581 1.632 3.492 542 HB1 ALA 77 1HB ALA 77 -15.252 1.194 2.842 543 HB2 ALA 77 2HB ALA 77 -15.745 1.051 1.155 544 HB3 ALA 77 3HB ALA 77 -16.305 -0.130 2.341 545 HA PRO 78 HA PRO 78 -17.380 5.775 1.743 546 HB2 PRO 78 2HB PRO 78 -18.424 6.923 4.112 547 HB3 PRO 78 1HB PRO 78 -19.296 6.625 2.597 548 HG2 PRO 78 2HG PRO 78 -19.776 5.349 5.022 549 HG3 PRO 78 1HG PRO 78 -20.373 4.855 3.429 550 HD2 PRO 78 2HD PRO 78 -18.123 3.754 5.003 551 HD3 PRO 78 1HD PRO 78 -19.179 2.966 3.812 552 H THR 79 H THR 79 -15.153 5.487 1.922 553 HA THR 79 HA THR 79 -13.955 7.305 3.797 554 HB THR 79 HB THR 79 -12.016 5.584 3.997 555 HG1 THR 79 1HG THR 79 -14.182 3.970 3.222 556 HG21 THR 79 1HG2 THR 79 -12.933 4.662 6.075 557 HG22 THR 79 2HG2 THR 79 -14.557 5.155 5.556 558 HG23 THR 79 3HG2 THR 79 -13.327 6.378 5.882 559 H LEU 80 H LEU 80 -12.260 8.247 2.881 560 HA LEU 80 HA LEU 80 -12.134 8.628 0.149 561 HB2 LEU 80 2HB LEU 80 -11.341 9.983 2.011 562 HB3 LEU 80 1HB LEU 80 -9.995 8.856 2.154 563 HG LEU 80 HG LEU 80 -9.084 9.615 0.037 564 HD11 LEU 80 1HD1 LEU 80 -11.438 11.479 0.007 565 HD12 LEU 80 2HD1 LEU 80 -11.254 10.086 -1.073 566 HD13 LEU 80 3HD1 LEU 80 -10.124 11.438 -1.165 567 HD21 LEU 80 1HD2 LEU 80 -8.489 10.828 2.006 568 HD22 LEU 80 2HD2 LEU 80 -9.971 11.771 1.861 569 HD23 LEU 80 3HD2 LEU 80 -8.700 11.947 0.647 570 H ALA 81 H ALA 81 -9.938 6.736 2.190 571 HA ALA 81 HA ALA 81 -8.166 5.721 0.320 572 HB1 ALA 81 1HB ALA 81 -7.629 3.978 1.913 573 HB2 ALA 81 2HB ALA 81 -9.129 4.285 2.787 574 HB3 ALA 81 3HB ALA 81 -7.864 5.511 2.754 575 H ALA 82 H ALA 82 -11.373 4.528 1.140 576 HA ALA 82 HA ALA 82 -11.135 1.999 -0.035 577 HB1 ALA 82 1HB ALA 82 -13.574 1.963 -0.124 578 HB2 ALA 82 2HB ALA 82 -13.617 3.690 0.236 579 HB3 ALA 82 3HB ALA 82 -13.001 2.553 1.438 580 H TRP 83 H TRP 83 -12.165 5.092 -1.383 581 HA TRP 83 HA TRP 83 -12.952 4.061 -3.939 582 HB2 TRP 83 2HB TRP 83 -11.848 6.877 -3.753 583 HB3 TRP 83 1HB TRP 83 -13.164 6.221 -4.696 584 HD1 TRP 83 HD1 TRP 83 -13.917 5.446 -1.145 585 HE1 TRP 83 HE1 TRP 83 -15.627 7.130 -0.314 586 HE3 TRP 83 HE3 TRP 83 -13.523 8.834 -4.895 587 HZ2 TRP 83 HZ2 TRP 83 -16.653 9.622 -1.124 588 HZ3 TRP 83 HZ3 TRP 83 -14.884 10.853 -4.789 589 HH2 TRP 83 HH2 TRP 83 -16.415 11.236 -2.947 590 H ASN 84 H ASN 84 -10.058 5.324 -2.535 591 HA ASN 84 HA ASN 84 -8.393 5.563 -4.784 592 HB2 ASN 84 2HB ASN 84 -7.956 6.635 -2.593 593 HB3 ASN 84 1HB ASN 84 -7.688 5.054 -1.875 594 HD21 ASN 84 1HD2 ASN 84 -5.583 5.805 -1.211 595 HD22 ASN 84 2HD2 ASN 84 -4.320 5.857 -2.373 596 H GLN 85 H GLN 85 -8.678 3.001 -2.355 597 HA GLN 85 HA GLN 85 -6.881 1.239 -3.681 598 HB2 GLN 85 2HB GLN 85 -8.928 0.650 -1.542 599 HB3 GLN 85 1HB GLN 85 -7.644 -0.439 -2.051 600 HG2 GLN 85 2HG GLN 85 -5.971 1.176 -1.296 601 HG3 GLN 85 1HG GLN 85 -7.257 2.270 -0.794 602 HE21 GLN 85 1HE2 GLN 85 -5.159 1.096 0.779 603 HE22 GLN 85 2HE2 GLN 85 -5.946 0.186 2.033 604 H LEU 86 H LEU 86 -10.338 1.752 -3.872 605 HA LEU 86 HA LEU 86 -11.026 -0.612 -5.152 606 HB2 LEU 86 2HB LEU 86 -12.265 2.101 -5.302 607 HB3 LEU 86 1HB LEU 86 -12.911 0.735 -6.194 608 HG LEU 86 HG LEU 86 -12.594 0.833 -3.193 609 HD11 LEU 86 1HD1 LEU 86 -15.024 1.085 -4.903 610 HD12 LEU 86 2HD1 LEU 86 -14.240 2.391 -3.999 611 HD13 LEU 86 3HD1 LEU 86 -14.986 1.042 -3.133 612 HD21 LEU 86 1HD2 LEU 86 -14.015 -1.168 -3.231 613 HD22 LEU 86 2HD2 LEU 86 -12.477 -1.446 -4.034 614 HD23 LEU 86 3HD2 LEU 86 -13.939 -1.185 -4.992 615 H MET 87 H MET 87 -9.614 2.302 -6.487 616 HA MET 87 HA MET 87 -9.832 1.721 -9.212 617 HB2 MET 87 2HB MET 87 -7.669 3.078 -7.644 618 HB3 MET 87 1HB MET 87 -7.474 2.786 -9.357 619 HG2 MET 87 2HG MET 87 -9.555 4.108 -9.735 620 HG3 MET 87 1HG MET 87 -9.540 4.495 -8.008 621 HE1 MET 87 HE1 MET 87 -8.184 7.725 -10.035 622 HE2 MET 87 HE2 MET 87 -9.462 7.215 -8.967 623 HE3 MET 87 HE3 MET 87 -9.354 6.516 -10.613 624 H LEU 88 H LEU 88 -7.153 0.898 -7.059 625 HA LEU 88 HA LEU 88 -5.796 -0.839 -8.796 626 HB2 LEU 88 2HB LEU 88 -5.836 -0.626 -5.818 627 HB3 LEU 88 1HB LEU 88 -4.856 -1.844 -6.630 628 HG LEU 88 HG LEU 88 -3.792 0.090 -7.741 629 HD11 LEU 88 1HD1 LEU 88 -5.225 1.632 -5.580 630 HD12 LEU 88 2HD1 LEU 88 -5.437 1.822 -7.323 631 HD13 LEU 88 3HD1 LEU 88 -3.903 2.256 -6.566 632 HD21 LEU 88 1HD2 LEU 88 -3.577 -0.219 -4.779 633 HD22 LEU 88 2HD2 LEU 88 -2.362 0.550 -5.815 634 HD23 LEU 88 3HD2 LEU 88 -2.764 -1.159 -6.031 635 H SER 89 H SER 89 -8.362 -1.481 -6.505 636 HA SER 89 HA SER 89 -8.183 -4.292 -6.640 637 HB2 SER 89 2HB SER 89 -10.546 -2.583 -5.858 638 HB3 SER 89 1HB SER 89 -10.336 -4.295 -5.493 639 HG SER 89 HG SER 89 -8.739 -2.130 -4.561 640 H ARG 90 H ARG 90 -10.024 -1.927 -8.527 641 HA ARG 90 HA ARG 90 -11.503 -3.987 -9.860 642 HB2 ARG 90 2HB ARG 90 -11.240 -1.066 -10.590 643 HB3 ARG 90 1HB ARG 90 -12.357 -2.200 -11.328 644 HG2 ARG 90 2HG ARG 90 -12.384 -1.279 -8.457 645 HG3 ARG 90 1HG ARG 90 -13.492 -0.774 -9.728 646 HD2 ARG 90 2HD ARG 90 -13.209 -3.570 -8.612 647 HD3 ARG 90 1HD ARG 90 -14.509 -2.441 -8.256 648 HE ARG 90 HE ARG 90 -14.027 -3.668 -10.906 649 HH11 ARG 90 1HH1 ARG 90 -16.331 -2.338 -8.477 650 HH12 ARG 90 2HH1 ARG 90 -17.667 -2.666 -9.439 651 HH21 ARG 90 1HH2 ARG 90 -15.760 -4.123 -12.101 652 HH22 ARG 90 2HH2 ARG 90 -17.381 -3.764 -11.654 653 H SER 91 H SER 91 -8.830 -1.897 -10.712 654 HA SER 91 HA SER 91 -7.330 -1.938 -12.447 655 HB2 SER 91 2HB SER 91 -7.980 -4.915 -12.302 656 HB3 SER 91 1HB SER 91 -6.600 -4.247 -13.178 657 HG SER 91 HG SER 91 -7.135 -4.153 -10.406 658 HA PRO 92 HA PRO 92 -9.656 -2.138 -16.356 659 HB2 PRO 92 2HB PRO 92 -7.779 -3.633 -17.997 660 HB3 PRO 92 1HB PRO 92 -8.092 -1.887 -18.018 661 HG2 PRO 92 2HG PRO 92 -5.746 -2.927 -17.189 662 HG3 PRO 92 1HG PRO 92 -6.415 -1.405 -16.568 663 HD2 PRO 92 2HD PRO 92 -6.479 -4.121 -15.326 664 HD3 PRO 92 1HD PRO 92 -6.154 -2.541 -14.574 665 H GLU 93 H GLU 93 -11.407 -3.390 -16.458 666 HA GLU 93 HA GLU 93 -11.183 -6.306 -16.593 667 HB2 GLU 93 2HB GLU 93 -13.726 -4.689 -16.239 668 HB3 GLU 93 1HB GLU 93 -13.420 -6.347 -15.767 669 HG2 GLU 93 2HG GLU 93 -12.314 -5.725 -13.817 670 HG3 GLU 93 1HG GLU 93 -11.949 -4.110 -14.424 Start of MODEL 14 1 H ASP 14 1H ASP 14 -1.969 -2.237 -5.232 2 HA ASP 14 HA ASP 14 0.481 -0.914 -4.348 3 HB2 ASP 14 2HB ASP 14 0.984 -1.045 -6.734 4 HB3 ASP 14 1HB ASP 14 0.563 -2.669 -6.181 5 H ASN 15 H ASN 15 0.209 0.832 -6.705 6 HA ASN 15 HA ASN 15 -2.260 2.289 -6.109 7 HB2 ASN 15 2HB ASN 15 0.534 3.399 -5.817 8 HB3 ASN 15 1HB ASN 15 -0.876 4.424 -6.017 9 HD21 ASN 15 1HD2 ASN 15 -2.220 4.763 -4.278 10 HD22 ASN 15 2HD2 ASN 15 -1.837 4.184 -2.691 11 H ARG 16 H ARG 16 -1.104 0.783 -8.601 12 HA ARG 16 HA ARG 16 -0.106 2.758 -10.296 13 HB2 ARG 16 2HB ARG 16 -0.144 1.332 -12.160 14 HB3 ARG 16 1HB ARG 16 0.091 0.274 -10.788 15 HG2 ARG 16 2HG ARG 16 -2.552 0.803 -11.974 16 HG3 ARG 16 1HG ARG 16 -1.498 -0.457 -12.644 17 HD2 ARG 16 2HD ARG 16 -1.492 -1.538 -10.445 18 HD3 ARG 16 1HD ARG 16 -2.516 -0.255 -9.822 19 HE ARG 16 HE ARG 16 -3.833 -1.326 -12.006 20 HH11 ARG 16 1HH1 ARG 16 -2.794 -2.624 -8.810 21 HH12 ARG 16 2HH1 ARG 16 -4.081 -3.704 -8.715 22 HH21 ARG 16 1HH2 ARG 16 -5.625 -2.799 -11.794 23 HH22 ARG 16 2HH2 ARG 16 -5.787 -3.807 -10.462 24 H HIS 17 H HIS 17 -3.490 1.779 -10.139 25 HA HIS 17 HA HIS 17 -4.221 3.828 -12.031 26 HB2 HIS 17 2HB HIS 17 -5.935 2.135 -10.200 27 HB3 HIS 17 1HB HIS 17 -6.612 3.260 -11.355 28 HD1 HIS 17 HD1 HIS 17 -5.715 2.626 -13.993 29 HD2 HIS 17 HD2 HIS 17 -5.777 -0.322 -11.076 30 HE1 HIS 17 HE1 HIS 17 -5.638 0.424 -15.221 31 H ALA 18 H ALA 18 -4.053 3.477 -8.615 32 HA ALA 18 HA ALA 18 -5.695 5.613 -7.915 33 HB1 ALA 18 1HB ALA 18 -5.245 3.778 -6.426 34 HB2 ALA 18 2HB ALA 18 -4.962 5.342 -5.667 35 HB3 ALA 18 3HB ALA 18 -3.584 4.346 -6.186 36 H ALA 19 H ALA 19 -2.543 5.746 -9.105 37 HA ALA 19 HA ALA 19 -1.612 8.161 -8.027 38 HB1 ALA 19 1HB ALA 19 -0.275 6.719 -9.522 39 HB2 ALA 19 2HB ALA 19 -0.304 8.393 -10.080 40 HB3 ALA 19 3HB ALA 19 -1.312 7.181 -10.872 41 H ASP 20 H ASP 20 -4.143 7.583 -10.389 42 HA ASP 20 HA ASP 20 -4.487 10.314 -11.187 43 HB2 ASP 20 2HB ASP 20 -5.351 8.500 -12.579 44 HB3 ASP 20 1HB ASP 20 -6.355 7.929 -11.262 45 H TYR 21 H TYR 21 -5.686 8.259 -8.664 46 HA TYR 21 HA TYR 21 -7.788 9.858 -7.692 47 HB2 TYR 21 2HB TYR 21 -7.423 7.423 -7.145 48 HB3 TYR 21 1HB TYR 21 -6.123 7.918 -6.069 49 HD1 TYR 21 HD1 TYR 21 -6.619 8.908 -3.892 50 HD2 TYR 21 HD2 TYR 21 -9.723 7.990 -6.652 51 HE1 TYR 21 HE1 TYR 21 -8.274 9.287 -2.156 52 HE2 TYR 21 HE2 TYR 21 -11.385 8.367 -4.910 53 HH TYR 21 HH TYR 21 -11.640 8.529 -2.594 54 H GLN 22 H GLN 22 -4.378 10.095 -7.316 55 HA GLN 22 HA GLN 22 -4.203 11.538 -4.921 56 HB2 GLN 22 2HB GLN 22 -2.238 10.637 -6.136 57 HB3 GLN 22 1HB GLN 22 -2.473 11.848 -7.386 58 HG2 GLN 22 2HG GLN 22 -2.084 13.613 -5.717 59 HG3 GLN 22 1HG GLN 22 -1.793 12.367 -4.506 60 HE21 GLN 22 1HE2 GLN 22 -0.021 14.465 -5.506 61 HE22 GLN 22 2HE2 GLN 22 1.372 13.630 -6.112 62 H GLN 23 H GLN 23 -5.029 12.511 -8.160 63 HA GLN 23 HA GLN 23 -5.053 15.356 -7.751 64 HB2 GLN 23 2HB GLN 23 -6.680 13.709 -9.677 65 HB3 GLN 23 1HB GLN 23 -6.340 15.428 -9.816 66 HG2 GLN 23 2HG GLN 23 -4.016 14.941 -10.269 67 HG3 GLN 23 1HG GLN 23 -4.301 13.219 -9.996 68 HE21 GLN 23 1HE2 GLN 23 -3.727 12.597 -12.044 69 HE22 GLN 23 2HE2 GLN 23 -4.717 12.940 -13.422 70 H LEU 24 H LEU 24 -7.387 12.741 -7.447 71 HA LEU 24 HA LEU 24 -9.554 14.462 -6.893 72 HB2 LEU 24 2HB LEU 24 -10.132 12.416 -7.842 73 HB3 LEU 24 1HB LEU 24 -9.327 11.376 -6.690 74 HG LEU 24 HG LEU 24 -11.895 12.974 -6.341 75 HD11 LEU 24 1HD1 LEU 24 -12.067 11.148 -7.951 76 HD12 LEU 24 2HD1 LEU 24 -12.961 10.778 -6.476 77 HD13 LEU 24 3HD1 LEU 24 -11.389 10.031 -6.767 78 HD21 LEU 24 1HD2 LEU 24 -10.722 10.831 -4.586 79 HD22 LEU 24 2HD2 LEU 24 -12.247 11.684 -4.336 80 HD23 LEU 24 3HD2 LEU 24 -10.711 12.549 -4.212 81 H ARG 25 H ARG 25 -7.063 13.101 -4.892 82 HA ARG 25 HA ARG 25 -8.164 13.691 -2.361 83 HB2 ARG 25 2HB ARG 25 -5.287 13.824 -3.276 84 HB3 ARG 25 1HB ARG 25 -5.783 14.306 -1.658 85 HG2 ARG 25 2HG ARG 25 -6.227 11.564 -2.798 86 HG3 ARG 25 1HG ARG 25 -4.879 12.122 -1.758 87 HD2 ARG 25 2HD ARG 25 -7.722 12.422 -0.975 88 HD3 ARG 25 1HD ARG 25 -6.801 10.942 -0.726 89 HE ARG 25 HE ARG 25 -6.392 13.520 0.599 90 HH11 ARG 25 1HH1 ARG 25 -5.226 10.190 0.151 91 HH12 ARG 25 2HH1 ARG 25 -4.759 9.980 1.759 92 HH21 ARG 25 1HH2 ARG 25 -5.661 13.146 2.992 93 HH22 ARG 25 2HH2 ARG 25 -4.991 11.597 3.270 94 H GLU 26 H GLU 26 -6.079 15.722 -4.427 95 HA GLU 26 HA GLU 26 -6.091 18.064 -3.017 96 HB2 GLU 26 2HB GLU 26 -4.744 17.465 -5.045 97 HB3 GLU 26 1HB GLU 26 -6.167 17.657 -6.028 98 HG2 GLU 26 2HG GLU 26 -4.919 19.867 -4.420 99 HG3 GLU 26 1HG GLU 26 -4.512 19.526 -6.100 100 H ARG 27 H ARG 27 -8.317 16.920 -5.474 101 HA ARG 27 HA ARG 27 -10.009 19.120 -5.435 102 HB2 ARG 27 2HB ARG 27 -10.791 16.299 -6.089 103 HB3 ARG 27 1HB ARG 27 -11.693 17.780 -6.415 104 HG2 ARG 27 2HG ARG 27 -9.121 16.883 -7.689 105 HG3 ARG 27 1HG ARG 27 -10.693 17.082 -8.457 106 HD2 ARG 27 2HD ARG 27 -8.782 19.162 -7.488 107 HD3 ARG 27 1HD ARG 27 -9.468 18.962 -9.088 108 HE ARG 27 HE ARG 27 -11.686 19.542 -7.849 109 HH11 ARG 27 1HH1 ARG 27 -8.495 20.855 -6.940 110 HH12 ARG 27 2HH1 ARG 27 -9.101 22.335 -6.455 111 HH21 ARG 27 1HH2 ARG 27 -12.499 21.579 -7.214 112 HH22 ARG 27 2HH2 ARG 27 -11.425 22.802 -6.624 113 H LEU 28 H LEU 28 -10.358 16.056 -3.605 114 HA LEU 28 HA LEU 28 -12.765 16.707 -2.294 115 HB2 LEU 28 2HB LEU 28 -10.439 15.058 -1.353 116 HB3 LEU 28 1HB LEU 28 -11.912 15.232 -0.433 117 HG LEU 28 HG LEU 28 -11.718 13.997 -3.171 118 HD11 LEU 28 1HD1 LEU 28 -12.038 12.779 -0.427 119 HD12 LEU 28 2HD1 LEU 28 -10.594 12.679 -1.435 120 HD13 LEU 28 3HD1 LEU 28 -12.088 11.900 -1.953 121 HD21 LEU 28 1HD2 LEU 28 -13.988 13.236 -2.680 122 HD22 LEU 28 2HD2 LEU 28 -13.889 14.992 -2.733 123 HD23 LEU 28 3HD2 LEU 28 -13.966 14.158 -1.178 124 H ILE 29 H ILE 29 -9.452 17.269 -1.387 125 HA ILE 29 HA ILE 29 -9.910 18.339 1.147 126 HB ILE 29 HB ILE 29 -7.510 18.635 -0.737 127 HG12 ILE 29 2HG1 ILE 29 -7.959 16.808 1.627 128 HG13 ILE 29 1HG1 ILE 29 -8.236 16.347 -0.038 129 HG21 ILE 29 1HG2 ILE 29 -7.518 20.390 1.052 130 HG22 ILE 29 2HG2 ILE 29 -6.203 19.216 1.230 131 HG23 ILE 29 3HG2 ILE 29 -7.641 19.079 2.238 132 HD11 ILE 29 1HD1 ILE 29 -5.579 17.018 1.236 133 HD12 ILE 29 2HD1 ILE 29 -5.826 16.642 -0.483 134 HD13 ILE 29 3HD1 ILE 29 -6.184 15.435 0.728 135 H GLN 30 H GLN 30 -9.772 19.830 -2.032 136 HA GLN 30 HA GLN 30 -10.094 22.501 -0.982 137 HB2 GLN 30 2HB GLN 30 -8.896 21.830 -3.148 138 HB3 GLN 30 1HB GLN 30 -10.501 21.636 -3.836 139 HG2 GLN 30 2HG GLN 30 -10.969 24.006 -3.212 140 HG3 GLN 30 1HG GLN 30 -9.277 24.156 -2.746 141 HE21 GLN 30 1HE2 GLN 30 -7.688 23.782 -4.421 142 HE22 GLN 30 2HE2 GLN 30 -8.047 24.198 -6.041 143 H GLU 31 H GLU 31 -12.111 20.249 -2.887 144 HA GLU 31 HA GLU 31 -14.309 21.970 -3.092 145 HB2 GLU 31 2HB GLU 31 -14.002 19.075 -3.747 146 HB3 GLU 31 1HB GLU 31 -15.542 19.919 -3.917 147 HG2 GLU 31 2HG GLU 31 -14.509 21.525 -5.444 148 HG3 GLU 31 1HG GLU 31 -12.957 20.726 -5.248 149 H LEU 32 H LEU 32 -13.835 19.367 -0.594 150 HA LEU 32 HA LEU 32 -16.408 20.270 0.405 151 HB2 LEU 32 2HB LEU 32 -14.509 18.181 1.413 152 HB3 LEU 32 1HB LEU 32 -16.007 18.607 2.210 153 HG LEU 32 HG LEU 32 -17.074 17.887 -0.006 154 HD11 LEU 32 1HD1 LEU 32 -15.084 17.723 -1.356 155 HD12 LEU 32 2HD1 LEU 32 -15.812 16.122 -1.192 156 HD13 LEU 32 3HD1 LEU 32 -14.392 16.547 -0.246 157 HD21 LEU 32 1HD2 LEU 32 -15.802 15.908 1.869 158 HD22 LEU 32 2HD2 LEU 32 -17.175 15.592 0.810 159 HD23 LEU 32 3HD2 LEU 32 -17.323 16.756 2.118 160 H ASN 33 H ASN 33 -13.315 21.316 0.551 161 HA ASN 33 HA ASN 33 -11.993 22.465 1.932 162 HB2 ASN 33 2HB ASN 33 -13.892 24.092 1.990 163 HB3 ASN 33 1HB ASN 33 -14.579 23.228 3.358 164 HD21 ASN 33 1HD2 ASN 33 -13.571 23.414 5.356 165 HD22 ASN 33 2HD2 ASN 33 -12.462 24.704 5.726 166 H LEU 34 H LEU 34 -11.143 20.494 2.513 167 HA LEU 34 HA LEU 34 -11.764 19.625 5.263 168 HB2 LEU 34 2HB LEU 34 -10.656 17.895 3.023 169 HB3 LEU 34 1HB LEU 34 -11.153 17.376 4.616 170 HG LEU 34 HG LEU 34 -13.007 18.447 2.520 171 HD11 LEU 34 1HD1 LEU 34 -12.117 16.287 1.774 172 HD12 LEU 34 2HD1 LEU 34 -13.795 16.063 2.223 173 HD13 LEU 34 3HD1 LEU 34 -12.518 15.558 3.319 174 HD21 LEU 34 1HD2 LEU 34 -14.786 17.499 3.933 175 HD22 LEU 34 2HD2 LEU 34 -13.877 18.782 4.732 176 HD23 LEU 34 3HD2 LEU 34 -13.572 17.094 5.146 177 H THR 35 H THR 35 -9.988 19.805 6.583 178 HA THR 35 HA THR 35 -7.509 20.665 5.410 179 HB THR 35 HB THR 35 -6.701 20.599 7.830 180 HG1 THR 35 1HG THR 35 -9.289 20.401 8.772 181 HG21 THR 35 1HG2 THR 35 -9.248 22.142 7.295 182 HG22 THR 35 2HG2 THR 35 -7.618 22.659 6.863 183 HG23 THR 35 3HG2 THR 35 -8.075 22.508 8.559 184 HA PRO 36 HA PRO 36 -5.525 16.659 5.059 185 HB2 PRO 36 2HB PRO 36 -3.224 17.543 6.712 186 HB3 PRO 36 1HB PRO 36 -3.237 17.006 5.019 187 HG2 PRO 36 2HG PRO 36 -2.839 19.550 5.594 188 HG3 PRO 36 1HG PRO 36 -3.828 19.069 4.199 189 HD2 PRO 36 2HD PRO 36 -4.721 20.063 6.871 190 HD3 PRO 36 1HD PRO 36 -5.341 20.455 5.253 191 H GLN 37 H GLN 37 -5.840 18.042 8.208 192 HA GLN 37 HA GLN 37 -5.398 15.553 9.611 193 HB2 GLN 37 2HB GLN 37 -6.458 18.230 10.568 194 HB3 GLN 37 1HB GLN 37 -6.190 16.850 11.613 195 HG2 GLN 37 2HG GLN 37 -4.372 18.379 11.888 196 HG3 GLN 37 1HG GLN 37 -3.769 16.959 11.049 197 HE21 GLN 37 1HE2 GLN 37 -2.021 18.073 10.236 198 HE22 GLN 37 2HE2 GLN 37 -2.160 19.259 8.984 199 H GLN 38 H GLN 38 -7.985 17.305 8.181 200 HA GLN 38 HA GLN 38 -10.122 15.962 9.551 201 HB2 GLN 38 2HB GLN 38 -10.022 18.357 8.699 202 HB3 GLN 38 1HB GLN 38 -10.146 17.683 7.092 203 HG2 GLN 38 2HG GLN 38 -12.300 16.787 7.604 204 HG3 GLN 38 1HG GLN 38 -12.170 17.397 9.269 205 HE21 GLN 38 1HE2 GLN 38 -14.162 18.141 7.266 206 HE22 GLN 38 2HE2 GLN 38 -13.959 19.831 6.994 207 H LEU 39 H LEU 39 -8.575 16.067 6.356 208 HA LEU 39 HA LEU 39 -10.042 13.662 5.623 209 HB2 LEU 39 2HB LEU 39 -9.829 15.795 4.057 210 HB3 LEU 39 1HB LEU 39 -8.263 15.149 3.682 211 HG LEU 39 HG LEU 39 -10.963 13.952 3.095 212 HD11 LEU 39 1HD1 LEU 39 -10.183 13.944 0.811 213 HD12 LEU 39 2HD1 LEU 39 -8.660 14.664 1.334 214 HD13 LEU 39 3HD1 LEU 39 -10.165 15.560 1.518 215 HD21 LEU 39 1HD2 LEU 39 -9.885 11.985 2.170 216 HD22 LEU 39 2HD2 LEU 39 -9.553 12.137 3.902 217 HD23 LEU 39 3HD2 LEU 39 -8.317 12.581 2.724 218 H HIS 40 H HIS 40 -8.691 12.635 7.198 219 HA HIS 40 HA HIS 40 -6.102 11.887 6.146 220 HB2 HIS 40 2HB HIS 40 -6.232 12.284 8.607 221 HB3 HIS 40 1HB HIS 40 -7.481 11.052 8.741 222 HD1 HIS 40 HD1 HIS 40 -6.673 8.789 9.330 223 HD2 HIS 40 HD2 HIS 40 -3.643 11.108 7.704 224 HE1 HIS 40 HE1 HIS 40 -4.720 7.324 9.285 225 H GLU 41 H GLU 41 -5.744 9.431 6.148 226 HA GLU 41 HA GLU 41 -7.099 8.457 3.986 227 HB2 GLU 41 2HB GLU 41 -5.660 6.697 5.945 228 HB3 GLU 41 1HB GLU 41 -5.842 6.471 4.214 229 HG2 GLU 41 2HG GLU 41 -4.110 8.465 5.656 230 HG3 GLU 41 1HG GLU 41 -3.615 7.176 4.566 231 H GLU 42 H GLU 42 -7.979 7.860 7.416 232 HA GLU 42 HA GLU 42 -9.813 5.780 6.476 233 HB2 GLU 42 2HB GLU 42 -9.688 4.772 8.635 234 HB3 GLU 42 1HB GLU 42 -8.104 5.417 8.388 235 HG2 GLU 42 2HG GLU 42 -10.202 6.868 9.968 236 HG3 GLU 42 1HG GLU 42 -9.028 5.759 10.669 237 H SER 43 H SER 43 -9.891 8.938 6.787 238 HA SER 43 HA SER 43 -12.078 9.469 8.466 239 HB2 SER 43 2HB SER 43 -10.420 11.170 7.747 240 HB3 SER 43 1HB SER 43 -11.063 11.079 6.113 241 HG SER 43 HG SER 43 -11.801 12.770 7.710 242 H ASN 44 H ASN 44 -14.184 9.555 8.117 243 HA ASN 44 HA ASN 44 -15.225 8.210 5.783 244 HB2 ASN 44 2HB ASN 44 -16.114 7.631 8.036 245 HB3 ASN 44 1HB ASN 44 -16.714 9.272 8.208 246 HD21 ASN 44 1HD2 ASN 44 -18.071 6.653 8.208 247 HD22 ASN 44 2HD2 ASN 44 -19.306 6.754 7.002 248 H LEU 45 H LEU 45 -15.217 9.388 4.133 249 HA LEU 45 HA LEU 45 -15.376 12.138 3.943 250 HB2 LEU 45 2HB LEU 45 -15.735 9.962 1.947 251 HB3 LEU 45 1HB LEU 45 -15.865 11.656 1.508 252 HG LEU 45 HG LEU 45 -13.408 10.644 2.919 253 HD11 LEU 45 1HD1 LEU 45 -12.388 10.369 0.724 254 HD12 LEU 45 2HD1 LEU 45 -13.980 10.598 -0.030 255 HD13 LEU 45 3HD1 LEU 45 -13.683 9.219 1.045 256 HD21 LEU 45 1HD2 LEU 45 -13.772 13.086 2.774 257 HD22 LEU 45 2HD2 LEU 45 -13.949 12.965 1.037 258 HD23 LEU 45 3HD2 LEU 45 -12.406 12.583 1.786 259 H ILE 46 H ILE 46 -18.061 9.884 4.037 260 HA ILE 46 HA ILE 46 -19.952 11.699 2.887 261 HB ILE 46 HB ILE 46 -20.407 9.333 4.743 262 HG12 ILE 46 2HG1 ILE 46 -19.413 8.704 2.587 263 HG13 ILE 46 1HG1 ILE 46 -21.048 8.079 2.746 264 HG21 ILE 46 1HG2 ILE 46 -22.307 10.831 4.891 265 HG22 ILE 46 2HG2 ILE 46 -22.756 9.361 4.026 266 HG23 ILE 46 3HG2 ILE 46 -22.455 10.851 3.133 267 HD11 ILE 46 1HD1 ILE 46 -20.616 8.878 0.515 268 HD12 ILE 46 2HD1 ILE 46 -20.192 10.474 1.137 269 HD13 ILE 46 3HD1 ILE 46 -21.851 9.866 1.289 270 H GLN 47 H GLN 47 -18.672 11.142 6.039 271 HA GLN 47 HA GLN 47 -20.574 12.841 7.408 272 HB2 GLN 47 2HB GLN 47 -18.068 11.474 8.413 273 HB3 GLN 47 1HB GLN 47 -19.221 12.336 9.420 274 HG2 GLN 47 2HG GLN 47 -19.796 9.858 7.806 275 HG3 GLN 47 1HG GLN 47 -19.544 9.922 9.548 276 HE21 GLN 47 1HE2 GLN 47 -21.865 9.022 7.993 277 HE22 GLN 47 2HE2 GLN 47 -23.183 9.993 8.568 278 H ALA 48 H ALA 48 -17.767 13.180 5.654 279 HA ALA 48 HA ALA 48 -16.848 15.607 6.916 280 HB1 ALA 48 1HB ALA 48 -15.239 14.098 5.809 281 HB2 ALA 48 2HB ALA 48 -15.245 15.688 5.048 282 HB3 ALA 48 3HB ALA 48 -16.072 14.340 4.274 283 H GLY 49 H GLY 49 -19.371 14.727 5.055 284 HA2 GLY 49 2HA GLY 49 -21.066 16.134 4.479 285 HA3 GLY 49 1HA GLY 49 -19.933 17.486 4.313 286 H LEU 50 H LEU 50 -19.994 14.245 2.908 287 HA LEU 50 HA LEU 50 -19.756 15.493 0.267 288 HB2 LEU 50 2HB LEU 50 -18.268 13.462 1.442 289 HB3 LEU 50 1HB LEU 50 -19.421 12.596 0.440 290 HG LEU 50 HG LEU 50 -17.982 14.825 -0.862 291 HD11 LEU 50 1HD1 LEU 50 -16.057 13.382 -1.326 292 HD12 LEU 50 2HD1 LEU 50 -16.675 12.180 -0.203 293 HD13 LEU 50 3HD1 LEU 50 -16.155 13.772 0.384 294 HD21 LEU 50 1HD2 LEU 50 -18.745 12.031 -1.654 295 HD22 LEU 50 2HD2 LEU 50 -18.030 13.242 -2.719 296 HD23 LEU 50 3HD2 LEU 50 -19.641 13.500 -2.042 297 H ASP 51 H ASP 51 -21.707 15.983 -0.257 298 HA ASP 51 HA ASP 51 -24.012 14.382 0.135 299 HB2 ASP 51 2HB ASP 51 -25.116 15.977 -1.342 300 HB3 ASP 51 1HB ASP 51 -24.081 16.845 -0.208 301 H SER 52 H SER 52 -25.347 13.806 -1.912 302 HA SER 52 HA SER 52 -23.675 11.908 -3.180 303 HB2 SER 52 2HB SER 52 -26.641 12.215 -3.477 304 HB3 SER 52 1HB SER 52 -25.588 10.880 -4.020 305 HG SER 52 HG SER 52 -25.098 11.440 -1.458 306 H ILE 53 H ILE 53 -24.614 15.066 -4.216 307 HA ILE 53 HA ILE 53 -24.410 14.245 -6.992 308 HB ILE 53 HB ILE 53 -24.287 17.068 -5.873 309 HG12 ILE 53 2HG1 ILE 53 -26.517 16.080 -5.497 310 HG13 ILE 53 1HG1 ILE 53 -26.602 17.325 -6.734 311 HG21 ILE 53 1HG2 ILE 53 -24.483 17.820 -8.210 312 HG22 ILE 53 2HG2 ILE 53 -24.674 16.151 -8.737 313 HG23 ILE 53 3HG2 ILE 53 -23.135 16.663 -8.112 314 HD11 ILE 53 1HD1 ILE 53 -27.971 15.413 -7.327 315 HD12 ILE 53 2HD1 ILE 53 -26.577 14.344 -7.203 316 HD13 ILE 53 3HD1 ILE 53 -26.632 15.577 -8.463 317 H ARG 54 H ARG 54 -22.590 15.867 -4.489 318 HA ARG 54 HA ARG 54 -20.214 16.161 -5.942 319 HB2 ARG 54 2HB ARG 54 -20.622 17.368 -3.897 320 HB3 ARG 54 1HB ARG 54 -20.782 15.874 -3.000 321 HG2 ARG 54 2HG ARG 54 -18.403 15.427 -3.361 322 HG3 ARG 54 1HG ARG 54 -18.265 16.958 -4.231 323 HD2 ARG 54 2HD ARG 54 -19.470 16.973 -1.513 324 HD3 ARG 54 1HD ARG 54 -17.731 16.773 -1.656 325 HE ARG 54 HE ARG 54 -17.616 18.886 -2.713 326 HH11 ARG 54 1HH1 ARG 54 -20.993 18.396 -1.634 327 HH12 ARG 54 2HH1 ARG 54 -21.150 19.909 -0.966 328 HH21 ARG 54 1HH2 ARG 54 -17.856 21.058 -1.742 329 HH22 ARG 54 2HH2 ARG 54 -19.344 21.492 -1.044 330 H LEU 55 H LEU 55 -21.691 13.471 -4.405 331 HA LEU 55 HA LEU 55 -19.403 11.763 -4.458 332 HB2 LEU 55 2HB LEU 55 -21.617 11.584 -2.993 333 HB3 LEU 55 1HB LEU 55 -22.255 10.909 -4.432 334 HG LEU 55 HG LEU 55 -21.140 8.889 -4.249 335 HD11 LEU 55 1HD1 LEU 55 -19.215 10.214 -2.336 336 HD12 LEU 55 2HD1 LEU 55 -18.845 9.824 -4.024 337 HD13 LEU 55 3HD1 LEU 55 -19.178 8.537 -2.864 338 HD21 LEU 55 1HD2 LEU 55 -21.371 8.202 -1.952 339 HD22 LEU 55 2HD2 LEU 55 -22.714 9.250 -2.422 340 HD23 LEU 55 3HD2 LEU 55 -21.389 9.888 -1.442 341 H MET 56 H MET 56 -22.143 12.436 -6.601 342 HA MET 56 HA MET 56 -21.592 10.305 -8.460 343 HB2 MET 56 2HB MET 56 -23.866 11.343 -8.171 344 HB3 MET 56 1HB MET 56 -23.230 12.829 -8.849 345 HG2 MET 56 2HG MET 56 -24.473 11.623 -10.530 346 HG3 MET 56 1HG MET 56 -22.765 11.671 -10.959 347 HE1 MET 56 HE1 MET 56 -24.925 7.937 -9.285 348 HE2 MET 56 HE2 MET 56 -25.719 9.483 -9.590 349 HE3 MET 56 HE3 MET 56 -24.546 9.334 -8.282 350 H ARG 57 H ARG 57 -20.800 13.572 -7.967 351 HA ARG 57 HA ARG 57 -19.663 14.474 -10.184 352 HB2 ARG 57 2HB ARG 57 -19.236 14.863 -7.315 353 HB3 ARG 57 1HB ARG 57 -17.942 15.442 -8.348 354 HG2 ARG 57 2HG ARG 57 -20.749 16.141 -8.971 355 HG3 ARG 57 1HG ARG 57 -19.909 17.009 -7.689 356 HD2 ARG 57 2HD ARG 57 -18.863 16.697 -10.508 357 HD3 ARG 57 1HD ARG 57 -19.633 18.155 -9.869 358 HE ARG 57 HE ARG 57 -17.800 18.401 -8.329 359 HH11 ARG 57 1HH1 ARG 57 -17.179 16.006 -10.881 360 HH12 ARG 57 2HH1 ARG 57 -15.494 16.055 -10.698 361 HH21 ARG 57 1HH2 ARG 57 -15.502 18.451 -8.044 362 HH22 ARG 57 2HH2 ARG 57 -14.492 17.545 -9.015 363 H TRP 58 H TRP 58 -18.468 12.178 -7.810 364 HA TRP 58 HA TRP 58 -15.858 12.153 -8.905 365 HB2 TRP 58 2HB TRP 58 -17.016 10.665 -6.572 366 HB3 TRP 58 1HB TRP 58 -15.358 10.442 -7.140 367 HD1 TRP 58 HD1 TRP 58 -16.891 12.181 -4.480 368 HE1 TRP 58 HE1 TRP 58 -15.672 14.385 -3.895 369 HE3 TRP 58 HE3 TRP 58 -14.126 12.785 -8.735 370 HZ2 TRP 58 HZ2 TRP 58 -13.762 16.102 -5.111 371 HZ3 TRP 58 HZ3 TRP 58 -12.701 14.708 -8.932 372 HH2 TRP 58 HH2 TRP 58 -12.533 16.317 -7.194 373 H LEU 59 H LEU 59 -18.660 10.189 -9.147 374 HA LEU 59 HA LEU 59 -17.426 7.847 -10.048 375 HB2 LEU 59 2HB LEU 59 -19.798 7.954 -9.417 376 HB3 LEU 59 1HB LEU 59 -20.128 8.921 -10.848 377 HG LEU 59 HG LEU 59 -19.406 7.043 -12.250 378 HD11 LEU 59 1HD1 LEU 59 -19.244 4.801 -11.248 379 HD12 LEU 59 2HD1 LEU 59 -19.309 5.532 -9.644 380 HD13 LEU 59 3HD1 LEU 59 -17.956 5.877 -10.720 381 HD21 LEU 59 1HD2 LEU 59 -21.759 7.393 -11.810 382 HD22 LEU 59 2HD2 LEU 59 -21.648 6.415 -10.339 383 HD23 LEU 59 3HD2 LEU 59 -21.384 5.674 -11.923 384 H HIS 60 H HIS 60 -18.528 10.686 -11.853 385 HA HIS 60 HA HIS 60 -17.656 9.553 -14.342 386 HB2 HIS 60 2HB HIS 60 -18.275 11.634 -15.427 387 HB3 HIS 60 1HB HIS 60 -19.528 11.226 -14.273 388 HD1 HIS 60 HD1 HIS 60 -16.882 13.779 -14.994 389 HD2 HIS 60 HD2 HIS 60 -19.850 13.073 -12.183 390 HE1 HIS 60 HE1 HIS 60 -17.131 15.922 -13.699 391 H TRP 61 H TRP 61 -16.119 11.160 -11.809 392 HA TRP 61 HA TRP 61 -13.982 12.288 -13.349 393 HB2 TRP 61 2HB TRP 61 -14.760 13.158 -11.094 394 HB3 TRP 61 1HB TRP 61 -14.043 11.707 -10.396 395 HD1 TRP 61 HD1 TRP 61 -13.151 15.143 -11.682 396 HE1 TRP 61 HE1 TRP 61 -10.638 15.586 -11.291 397 HE3 TRP 61 HE3 TRP 61 -11.713 10.466 -10.260 398 HZ2 TRP 61 HZ2 TRP 61 -8.406 14.165 -10.520 399 HZ3 TRP 61 HZ3 TRP 61 -9.362 10.093 -9.708 400 HH2 TRP 61 HH2 TRP 61 -7.746 11.890 -9.834 401 H PHE 62 H PHE 62 -14.503 9.357 -11.428 402 HA PHE 62 HA PHE 62 -11.910 8.257 -11.904 403 HB2 PHE 62 2HB PHE 62 -14.583 6.867 -11.481 404 HB3 PHE 62 1HB PHE 62 -13.059 6.007 -11.612 405 HD1 PHE 62 HD1 PHE 62 -11.401 6.166 -9.827 406 HD2 PHE 62 HD2 PHE 62 -15.200 8.018 -9.487 407 HE1 PHE 62 HE1 PHE 62 -11.086 6.387 -7.385 408 HE2 PHE 62 HE2 PHE 62 -14.891 8.245 -7.061 409 HZ PHE 62 HZ PHE 62 -12.836 7.430 -6.009 410 H ARG 63 H ARG 63 -14.944 7.892 -13.524 411 HA ARG 63 HA ARG 63 -14.037 6.209 -15.516 412 HB2 ARG 63 2HB ARG 63 -16.495 7.633 -14.931 413 HB3 ARG 63 1HB ARG 63 -16.313 7.192 -16.650 414 HG2 ARG 63 2HG ARG 63 -17.648 5.609 -15.391 415 HG3 ARG 63 1HG ARG 63 -16.141 4.853 -15.887 416 HD2 ARG 63 2HD ARG 63 -15.252 5.021 -13.645 417 HD3 ARG 63 1HD ARG 63 -16.604 6.047 -13.155 418 HE ARG 63 HE ARG 63 -17.692 4.192 -12.606 419 HH11 ARG 63 1HH1 ARG 63 -15.356 3.047 -15.049 420 HH12 ARG 63 2HH1 ARG 63 -16.163 1.533 -15.232 421 HH21 ARG 63 1HH2 ARG 63 -18.646 2.055 -12.859 422 HH22 ARG 63 2HH2 ARG 63 -18.008 1.012 -14.052 423 H LYS 64 H LYS 64 -13.272 9.530 -15.358 424 HA LYS 64 HA LYS 64 -13.317 10.746 -17.830 425 HB2 LYS 64 2HB LYS 64 -10.737 10.496 -16.290 426 HB3 LYS 64 1HB LYS 64 -11.117 11.722 -17.469 427 HG2 LYS 64 2HG LYS 64 -12.781 12.635 -15.890 428 HG3 LYS 64 1HG LYS 64 -12.282 11.411 -14.718 429 HD2 LYS 64 2HD LYS 64 -10.567 13.630 -15.880 430 HD3 LYS 64 1HD LYS 64 -11.108 13.477 -14.217 431 HE2 LYS 64 2HE LYS 64 -9.166 11.556 -15.586 432 HE3 LYS 64 1HE LYS 64 -8.688 12.900 -14.576 433 HZ1 LYS 64 1HZ LYS 64 -9.749 11.818 -12.679 434 HZ2 LYS 64 2HZ LYS 64 -8.618 10.821 -13.343 435 HZ3 LYS 64 3HZ LYS 64 -10.251 10.523 -13.622 436 H ASN 65 H ASN 65 -10.864 8.424 -16.798 437 HA ASN 65 HA ASN 65 -9.960 8.134 -19.589 438 HB2 ASN 65 2HB ASN 65 -8.410 7.818 -17.013 439 HB3 ASN 65 1HB ASN 65 -7.763 7.454 -18.609 440 HD21 ASN 65 1HD2 ASN 65 -7.272 9.169 -19.994 441 HD22 ASN 65 2HD2 ASN 65 -7.143 10.795 -19.414 442 H GLY 66 H GLY 66 -12.034 6.773 -17.965 443 HA2 GLY 66 2HA GLY 66 -12.869 4.639 -18.097 444 HA3 GLY 66 1HA GLY 66 -11.344 4.124 -18.798 445 H TYR 67 H TYR 67 -11.660 5.787 -15.663 446 HA TYR 67 HA TYR 67 -10.470 3.501 -14.445 447 HB2 TYR 67 2HB TYR 67 -11.395 6.110 -13.266 448 HB3 TYR 67 1HB TYR 67 -10.922 4.764 -12.232 449 HD1 TYR 67 HD1 TYR 67 -9.662 6.686 -15.169 450 HD2 TYR 67 HD2 TYR 67 -8.800 4.594 -11.616 451 HE1 TYR 67 HE1 TYR 67 -7.258 7.194 -15.480 452 HE2 TYR 67 HE2 TYR 67 -6.412 5.081 -11.889 453 HH TYR 67 HH TYR 67 -5.243 7.355 -14.042 454 H ARG 68 H ARG 68 -11.562 2.760 -12.275 455 HA ARG 68 HA ARG 68 -14.135 1.820 -13.381 456 HB2 ARG 68 2HB ARG 68 -11.916 -0.034 -12.540 457 HB3 ARG 68 1HB ARG 68 -13.496 -0.497 -13.142 458 HG2 ARG 68 2HG ARG 68 -11.404 1.006 -14.698 459 HG3 ARG 68 1HG ARG 68 -11.691 -0.733 -14.793 460 HD2 ARG 68 2HD ARG 68 -13.877 -0.384 -15.606 461 HD3 ARG 68 1HD ARG 68 -13.755 1.353 -15.318 462 HE ARG 68 HE ARG 68 -11.714 0.912 -16.960 463 HH11 ARG 68 1HH1 ARG 68 -15.165 0.118 -17.222 464 HH12 ARG 68 2HH1 ARG 68 -15.244 0.209 -18.907 465 HH21 ARG 68 1HH2 ARG 68 -11.779 1.070 -19.314 466 HH22 ARG 68 2HH2 ARG 68 -13.230 0.775 -20.157 467 H LEU 69 H LEU 69 -15.436 2.507 -11.765 468 HA LEU 69 HA LEU 69 -15.666 0.524 -9.845 469 HB2 LEU 69 2HB LEU 69 -15.641 1.877 -7.740 470 HB3 LEU 69 1HB LEU 69 -14.077 1.582 -8.448 471 HG LEU 69 HG LEU 69 -14.164 3.954 -9.334 472 HD11 LEU 69 1HD1 LEU 69 -15.634 5.524 -8.199 473 HD12 LEU 69 2HD1 LEU 69 -16.452 4.190 -7.385 474 HD13 LEU 69 3HD1 LEU 69 -16.561 4.355 -9.138 475 HD21 LEU 69 1HD2 LEU 69 -12.810 3.291 -7.465 476 HD22 LEU 69 2HD2 LEU 69 -14.182 3.463 -6.369 477 HD23 LEU 69 3HD2 LEU 69 -13.507 4.883 -7.175 478 H THR 70 H THR 70 -17.576 0.524 -8.674 479 HA THR 70 HA THR 70 -19.538 2.227 -9.911 480 HB THR 70 HB THR 70 -21.095 0.568 -8.561 481 HG1 THR 70 1HG THR 70 -18.917 -1.175 -8.958 482 HG21 THR 70 1HG2 THR 70 -20.978 0.665 -11.009 483 HG22 THR 70 2HG2 THR 70 -21.063 -1.007 -10.452 484 HG23 THR 70 3HG2 THR 70 -19.523 -0.332 -10.983 485 H LEU 71 H LEU 71 -20.884 3.546 -8.619 486 HA LEU 71 HA LEU 71 -19.376 4.736 -6.556 487 HB2 LEU 71 2HB LEU 71 -21.031 5.827 -8.221 488 HB3 LEU 71 1HB LEU 71 -22.173 5.234 -7.014 489 HG LEU 71 HG LEU 71 -21.353 6.625 -5.311 490 HD11 LEU 71 1HD1 LEU 71 -19.314 7.420 -7.331 491 HD12 LEU 71 2HD1 LEU 71 -19.062 6.473 -5.868 492 HD13 LEU 71 3HD1 LEU 71 -19.483 8.182 -5.736 493 HD21 LEU 71 1HD2 LEU 71 -21.825 8.839 -6.260 494 HD22 LEU 71 2HD2 LEU 71 -22.976 7.627 -6.824 495 HD23 LEU 71 3HD2 LEU 71 -21.671 8.165 -7.882 496 H ARG 72 H ARG 72 -21.894 2.403 -6.531 497 HA ARG 72 HA ARG 72 -23.220 2.733 -4.072 498 HB2 ARG 72 2HB ARG 72 -22.241 0.023 -4.789 499 HB3 ARG 72 1HB ARG 72 -23.785 0.493 -4.134 500 HG2 ARG 72 2HG ARG 72 -24.525 1.225 -6.311 501 HG3 ARG 72 1HG ARG 72 -22.925 0.892 -6.990 502 HD2 ARG 72 2HD ARG 72 -24.874 -1.108 -5.831 503 HD3 ARG 72 1HD ARG 72 -24.316 -1.000 -7.501 504 HE ARG 72 HE ARG 72 -22.141 -1.412 -5.637 505 HH11 ARG 72 1HH1 ARG 72 -24.599 -3.205 -7.431 506 HH12 ARG 72 2HH1 ARG 72 -23.746 -4.683 -7.339 507 HH21 ARG 72 1HH2 ARG 72 -21.018 -3.268 -5.504 508 HH22 ARG 72 2HH2 ARG 72 -21.571 -4.734 -6.162 509 H GLU 73 H GLU 73 -20.072 1.725 -4.888 510 HA GLU 73 HA GLU 73 -19.659 0.108 -2.638 511 HB2 GLU 73 2HB GLU 73 -17.460 1.089 -4.423 512 HB3 GLU 73 1HB GLU 73 -17.506 -0.398 -3.482 513 HG2 GLU 73 2HG GLU 73 -19.409 0.300 -5.561 514 HG3 GLU 73 1HG GLU 73 -17.952 -0.649 -5.994 515 H LEU 74 H LEU 74 -19.182 3.396 -3.509 516 HA LEU 74 HA LEU 74 -17.254 4.072 -1.459 517 HB2 LEU 74 2HB LEU 74 -18.865 5.937 -3.215 518 HB3 LEU 74 1HB LEU 74 -17.454 6.354 -2.267 519 HG LEU 74 HG LEU 74 -17.567 4.724 -4.799 520 HD11 LEU 74 1HD1 LEU 74 -16.007 7.195 -4.108 521 HD12 LEU 74 2HD1 LEU 74 -17.510 7.184 -5.004 522 HD13 LEU 74 3HD1 LEU 74 -16.079 6.399 -5.680 523 HD21 LEU 74 1HD2 LEU 74 -15.156 4.383 -4.578 524 HD22 LEU 74 2HD2 LEU 74 -16.057 3.586 -3.287 525 HD23 LEU 74 3HD2 LEU 74 -15.208 5.099 -2.965 526 H TYR 75 H TYR 75 -20.617 3.785 -1.794 527 HA TYR 75 HA TYR 75 -21.256 5.335 0.573 528 HB2 TYR 75 2HB TYR 75 -22.849 3.365 -1.069 529 HB3 TYR 75 1HB TYR 75 -23.458 4.078 0.416 530 HD1 TYR 75 HD1 TYR 75 -22.747 4.607 -3.127 531 HD2 TYR 75 HD2 TYR 75 -24.108 6.409 0.474 532 HE1 TYR 75 HE1 TYR 75 -23.755 6.433 -4.428 533 HE2 TYR 75 HE2 TYR 75 -25.096 8.245 -0.795 534 HH TYR 75 HH TYR 75 -25.080 9.266 -2.884 535 H ALA 76 H ALA 76 -20.791 1.988 -0.374 536 HA ALA 76 HA ALA 76 -21.488 0.743 2.040 537 HB1 ALA 76 1HB ALA 76 -20.314 -1.214 1.167 538 HB2 ALA 76 2HB ALA 76 -19.549 -0.214 -0.068 539 HB3 ALA 76 3HB ALA 76 -21.295 -0.460 -0.092 540 H ALA 77 H ALA 77 -18.304 1.693 0.781 541 HA ALA 77 HA ALA 77 -17.434 1.789 3.568 542 HB1 ALA 77 1HB ALA 77 -15.727 0.944 1.219 543 HB2 ALA 77 2HB ALA 77 -16.350 -0.129 2.475 544 HB3 ALA 77 3HB ALA 77 -15.181 1.129 2.885 545 HA PRO 78 HA PRO 78 -16.816 5.801 1.642 546 HB2 PRO 78 2HB PRO 78 -17.989 7.267 3.650 547 HB3 PRO 78 1HB PRO 78 -18.857 6.620 2.243 548 HG2 PRO 78 2HG PRO 78 -19.108 5.829 4.989 549 HG3 PRO 78 1HG PRO 78 -20.038 5.286 3.584 550 HD2 PRO 78 2HD PRO 78 -17.842 3.939 4.952 551 HD3 PRO 78 1HD PRO 78 -18.998 3.299 3.767 552 H THR 79 H THR 79 -14.611 5.370 2.093 553 HA THR 79 HA THR 79 -13.532 7.193 4.045 554 HB THR 79 HB THR 79 -11.766 5.404 4.602 555 HG1 THR 79 1HG THR 79 -13.876 3.719 3.732 556 HG21 THR 79 1HG2 THR 79 -13.376 6.217 6.216 557 HG22 THR 79 2HG2 THR 79 -13.078 4.482 6.464 558 HG23 THR 79 3HG2 THR 79 -14.557 5.040 5.651 559 H LEU 80 H LEU 80 -11.575 7.950 3.337 560 HA LEU 80 HA LEU 80 -11.200 8.210 0.631 561 HB2 LEU 80 2HB LEU 80 -10.355 9.580 2.443 562 HB3 LEU 80 1HB LEU 80 -9.134 8.366 2.789 563 HG LEU 80 HG LEU 80 -8.179 10.320 1.613 564 HD11 LEU 80 1HD1 LEU 80 -8.177 7.863 -0.103 565 HD12 LEU 80 2HD1 LEU 80 -7.026 8.267 1.174 566 HD13 LEU 80 3HD1 LEU 80 -7.077 9.216 -0.307 567 HD21 LEU 80 1HD2 LEU 80 -8.806 10.830 -0.688 568 HD22 LEU 80 2HD2 LEU 80 -10.154 11.055 0.421 569 HD23 LEU 80 3HD2 LEU 80 -10.079 9.624 -0.604 570 H ALA 81 H ALA 81 -9.407 6.128 2.884 571 HA ALA 81 HA ALA 81 -7.620 4.927 1.188 572 HB1 ALA 81 1HB ALA 81 -7.480 3.117 2.805 573 HB2 ALA 81 2HB ALA 81 -9.009 3.622 3.524 574 HB3 ALA 81 3HB ALA 81 -7.597 4.673 3.628 575 H ALA 82 H ALA 82 -10.991 4.038 1.755 576 HA ALA 82 HA ALA 82 -10.834 1.643 0.297 577 HB1 ALA 82 1HB ALA 82 -13.275 1.611 0.368 578 HB2 ALA 82 2HB ALA 82 -13.282 3.271 0.965 579 HB3 ALA 82 3HB ALA 82 -12.591 1.981 1.954 580 H TRP 83 H TRP 83 -12.049 4.895 -0.566 581 HA TRP 83 HA TRP 83 -12.917 4.267 -3.195 582 HB2 TRP 83 2HB TRP 83 -11.622 6.920 -2.447 583 HB3 TRP 83 1HB TRP 83 -12.711 6.580 -3.784 584 HD1 TRP 83 HD1 TRP 83 -13.825 5.465 -0.316 585 HE1 TRP 83 HE1 TRP 83 -15.841 6.931 0.339 586 HE3 TRP 83 HE3 TRP 83 -13.541 8.915 -4.036 587 HZ2 TRP 83 HZ2 TRP 83 -17.087 9.286 -0.562 588 HZ3 TRP 83 HZ3 TRP 83 -15.145 10.763 -4.056 589 HH2 TRP 83 HH2 TRP 83 -16.880 10.946 -2.359 590 H ASN 84 H ASN 84 -9.842 5.290 -1.908 591 HA ASN 84 HA ASN 84 -8.351 5.500 -4.282 592 HB2 ASN 84 2HB ASN 84 -7.589 6.504 -2.209 593 HB3 ASN 84 1HB ASN 84 -7.488 4.928 -1.440 594 HD21 ASN 84 1HD2 ASN 84 -5.716 3.632 -1.848 595 HD22 ASN 84 2HD2 ASN 84 -4.324 4.216 -2.697 596 H GLN 85 H GLN 85 -8.632 2.802 -1.945 597 HA GLN 85 HA GLN 85 -6.918 1.021 -3.456 598 HB2 GLN 85 2HB GLN 85 -7.377 -0.588 -1.800 599 HB3 GLN 85 1HB GLN 85 -7.576 0.922 -0.918 600 HG2 GLN 85 2HG GLN 85 -9.962 0.797 -1.152 601 HG3 GLN 85 1HG GLN 85 -9.810 -0.677 -2.087 602 HE21 GLN 85 1HE2 GLN 85 -9.255 -2.584 -1.091 603 HE22 GLN 85 2HE2 GLN 85 -9.325 -2.763 0.633 604 H LEU 86 H LEU 86 -10.312 1.796 -3.574 605 HA LEU 86 HA LEU 86 -11.055 -0.518 -4.903 606 HB2 LEU 86 2HB LEU 86 -12.335 2.180 -4.890 607 HB3 LEU 86 1HB LEU 86 -13.013 0.817 -5.763 608 HG LEU 86 HG LEU 86 -12.528 0.931 -2.786 609 HD11 LEU 86 1HD1 LEU 86 -15.056 0.967 -4.362 610 HD12 LEU 86 2HD1 LEU 86 -14.325 2.332 -3.500 611 HD13 LEU 86 3HD1 LEU 86 -14.921 0.933 -2.595 612 HD21 LEU 86 1HD2 LEU 86 -13.804 -1.176 -2.725 613 HD22 LEU 86 2HD2 LEU 86 -12.263 -1.344 -3.546 614 HD23 LEU 86 3HD2 LEU 86 -13.758 -1.241 -4.487 615 H MET 87 H MET 87 -9.663 2.421 -6.192 616 HA MET 87 HA MET 87 -9.969 1.903 -8.935 617 HB2 MET 87 2HB MET 87 -7.709 3.149 -7.401 618 HB3 MET 87 1HB MET 87 -7.591 2.897 -9.131 619 HG2 MET 87 2HG MET 87 -9.625 4.276 -9.420 620 HG3 MET 87 1HG MET 87 -9.601 4.596 -7.683 621 HE1 MET 87 HE1 MET 87 -9.571 7.305 -8.607 622 HE2 MET 87 HE2 MET 87 -9.437 6.632 -10.234 623 HE3 MET 87 HE3 MET 87 -8.286 7.876 -9.671 624 H LEU 88 H LEU 88 -7.715 0.550 -6.653 625 HA LEU 88 HA LEU 88 -6.561 -1.193 -8.679 626 HB2 LEU 88 2HB LEU 88 -6.056 -1.005 -5.716 627 HB3 LEU 88 1HB LEU 88 -5.129 -2.055 -6.800 628 HG LEU 88 HG LEU 88 -3.684 -0.296 -6.591 629 HD11 LEU 88 1HD1 LEU 88 -5.448 0.840 -8.673 630 HD12 LEU 88 2HD1 LEU 88 -4.239 -0.414 -8.890 631 HD13 LEU 88 3HD1 LEU 88 -3.742 1.213 -8.389 632 HD21 LEU 88 1HD2 LEU 88 -4.324 1.996 -6.113 633 HD22 LEU 88 2HD2 LEU 88 -5.050 0.885 -4.953 634 HD23 LEU 88 3HD2 LEU 88 -6.028 1.567 -6.255 635 H SER 89 H SER 89 -8.666 -1.549 -5.912 636 HA SER 89 HA SER 89 -8.609 -4.387 -5.864 637 HB2 SER 89 2HB SER 89 -10.696 -2.554 -4.668 638 HB3 SER 89 1HB SER 89 -10.390 -4.229 -4.225 639 HG SER 89 HG SER 89 -8.476 -2.152 -4.022 640 H ARG 90 H ARG 90 -10.491 -2.099 -7.693 641 HA ARG 90 HA ARG 90 -12.481 -4.059 -8.386 642 HB2 ARG 90 2HB ARG 90 -11.893 -1.396 -9.690 643 HB3 ARG 90 1HB ARG 90 -13.291 -2.404 -10.006 644 HG2 ARG 90 2HG ARG 90 -12.649 -1.044 -7.398 645 HG3 ARG 90 1HG ARG 90 -13.823 -0.502 -8.592 646 HD2 ARG 90 2HD ARG 90 -13.945 -3.141 -7.154 647 HD3 ARG 90 1HD ARG 90 -14.793 -1.686 -6.648 648 HE ARG 90 HE ARG 90 -15.305 -2.484 -9.370 649 HH11 ARG 90 1HH1 ARG 90 -16.317 -2.650 -6.010 650 HH12 ARG 90 2HH1 ARG 90 -17.905 -3.125 -6.282 651 HH21 ARG 90 1HH2 ARG 90 -17.358 -3.264 -9.868 652 HH22 ARG 90 2HH2 ARG 90 -18.539 -3.593 -8.649 653 H SER 91 H SER 91 -9.899 -2.392 -10.031 654 HA SER 91 HA SER 91 -8.916 -2.628 -11.939 655 HB2 SER 91 2HB SER 91 -9.297 -5.607 -11.450 656 HB3 SER 91 1HB SER 91 -8.236 -4.956 -12.715 657 HG SER 91 HG SER 91 -8.088 -4.446 -9.930 658 HA PRO 92 HA PRO 92 -12.306 -3.246 -14.944 659 HB2 PRO 92 2HB PRO 92 -13.634 -5.570 -15.419 660 HB3 PRO 92 1HB PRO 92 -12.002 -5.263 -16.042 661 HG2 PRO 92 2HG PRO 92 -12.825 -7.137 -13.997 662 HG3 PRO 92 1HG PRO 92 -11.270 -6.995 -14.832 663 HD2 PRO 92 2HD PRO 92 -11.998 -6.029 -12.181 664 HD3 PRO 92 1HD PRO 92 -10.404 -6.147 -12.957 665 H GLU 93 H GLU 93 -13.893 -1.980 -14.293 666 HA GLU 93 HA GLU 93 -15.714 -1.081 -13.393 667 HB2 GLU 93 2HB GLU 93 -16.804 -3.796 -14.094 668 HB3 GLU 93 1HB GLU 93 -17.818 -2.466 -13.553 669 HG2 GLU 93 2HG GLU 93 -16.068 -2.475 -16.009 670 HG3 GLU 93 1HG GLU 93 -17.826 -2.632 -15.979 Start of MODEL 15 1 H ASP 14 1H ASP 14 3.386 0.254 -7.384 2 HA ASP 14 HA ASP 14 2.981 0.794 -4.531 3 HB2 ASP 14 2HB ASP 14 4.777 2.595 -5.017 4 HB3 ASP 14 1HB ASP 14 5.322 0.924 -4.947 5 H ASN 15 H ASN 15 3.146 2.657 -7.633 6 HA ASN 15 HA ASN 15 0.415 3.508 -7.133 7 HB2 ASN 15 2HB ASN 15 1.875 5.159 -5.915 8 HB3 ASN 15 1HB ASN 15 2.630 5.554 -7.452 9 HD21 ASN 15 1HD2 ASN 15 1.168 7.268 -5.653 10 HD22 ASN 15 2HD2 ASN 15 -0.160 7.912 -6.560 11 H ARG 16 H ARG 16 -0.306 2.677 -9.071 12 HA ARG 16 HA ARG 16 0.943 3.826 -11.500 13 HB2 ARG 16 2HB ARG 16 -0.947 1.433 -11.315 14 HB3 ARG 16 1HB ARG 16 -0.364 2.112 -12.817 15 HG2 ARG 16 2HG ARG 16 0.830 0.059 -12.254 16 HG3 ARG 16 1HG ARG 16 1.937 1.438 -12.206 17 HD2 ARG 16 2HD ARG 16 1.649 1.599 -9.848 18 HD3 ARG 16 1HD ARG 16 0.527 0.305 -9.787 19 HE ARG 16 HE ARG 16 2.278 -1.196 -10.112 20 HH11 ARG 16 1HH1 ARG 16 3.441 2.176 -10.144 21 HH12 ARG 16 2HH1 ARG 16 4.862 1.831 -9.281 22 HH21 ARG 16 1HH2 ARG 16 4.229 -1.637 -8.928 23 HH22 ARG 16 2HH2 ARG 16 5.353 -0.357 -8.613 24 H HIS 17 H HIS 17 -2.225 2.801 -10.473 25 HA HIS 17 HA HIS 17 -3.611 4.516 -12.304 26 HB2 HIS 17 2HB HIS 17 -4.532 2.760 -10.048 27 HB3 HIS 17 1HB HIS 17 -5.623 3.568 -11.160 28 HD1 HIS 17 HD1 HIS 17 -3.525 0.499 -10.785 29 HD2 HIS 17 HD2 HIS 17 -5.380 2.601 -13.877 30 HE1 HIS 17 HE1 HIS 17 -3.509 -0.998 -12.753 31 H ALA 18 H ALA 18 -2.800 4.574 -8.986 32 HA ALA 18 HA ALA 18 -4.679 6.486 -8.237 33 HB1 ALA 18 1HB ALA 18 -2.270 5.589 -6.689 34 HB2 ALA 18 2HB ALA 18 -3.892 4.845 -6.745 35 HB3 ALA 18 3HB ALA 18 -3.701 6.462 -6.076 36 H ALA 19 H ALA 19 -1.754 6.881 -9.822 37 HA ALA 19 HA ALA 19 -0.970 9.440 -9.105 38 HB1 ALA 19 1HB ALA 19 0.201 8.078 -10.791 39 HB2 ALA 19 2HB ALA 19 -0.158 9.691 -11.408 40 HB3 ALA 19 3HB ALA 19 -1.142 8.315 -11.908 41 H ASP 20 H ASP 20 -3.742 8.428 -11.041 42 HA ASP 20 HA ASP 20 -4.617 11.079 -11.735 43 HB2 ASP 20 2HB ASP 20 -5.328 9.013 -13.000 44 HB3 ASP 20 1HB ASP 20 -6.223 8.498 -11.580 45 H TYR 21 H TYR 21 -5.253 8.772 -9.213 46 HA TYR 21 HA TYR 21 -7.294 10.010 -7.717 47 HB2 TYR 21 2HB TYR 21 -6.687 7.695 -7.324 48 HB3 TYR 21 1HB TYR 21 -5.064 8.163 -6.860 49 HD1 TYR 21 HD1 TYR 21 -4.550 8.548 -4.536 50 HD2 TYR 21 HD2 TYR 21 -8.630 8.436 -5.802 51 HE1 TYR 21 HE1 TYR 21 -5.234 8.558 -2.268 52 HE2 TYR 21 HE2 TYR 21 -9.318 8.472 -3.481 53 HH TYR 21 HH TYR 21 -8.222 7.756 -1.209 54 H GLN 22 H GLN 22 -3.945 10.875 -7.944 55 HA GLN 22 HA GLN 22 -3.674 12.345 -5.565 56 HB2 GLN 22 2HB GLN 22 -1.840 11.928 -7.280 57 HB3 GLN 22 1HB GLN 22 -2.560 13.213 -8.242 58 HG2 GLN 22 2HG GLN 22 -2.264 14.725 -6.252 59 HG3 GLN 22 1HG GLN 22 -1.310 13.440 -5.515 60 HE21 GLN 22 1HE2 GLN 22 -1.420 15.941 -7.840 61 HE22 GLN 22 2HE2 GLN 22 0.235 15.838 -8.343 62 H GLN 23 H GLN 23 -4.957 13.228 -8.730 63 HA GLN 23 HA GLN 23 -5.642 15.882 -8.101 64 HB2 GLN 23 2HB GLN 23 -6.527 14.000 -10.265 65 HB3 GLN 23 1HB GLN 23 -7.252 15.596 -10.098 66 HG2 GLN 23 2HG GLN 23 -4.309 15.075 -10.422 67 HG3 GLN 23 1HG GLN 23 -5.407 15.534 -11.729 68 HE21 GLN 23 1HE2 GLN 23 -3.091 16.897 -10.498 69 HE22 GLN 23 2HE2 GLN 23 -3.642 18.436 -9.976 70 H LEU 24 H LEU 24 -7.251 12.872 -7.577 71 HA LEU 24 HA LEU 24 -9.732 14.099 -6.923 72 HB2 LEU 24 2HB LEU 24 -9.786 11.796 -7.626 73 HB3 LEU 24 1HB LEU 24 -8.763 11.244 -6.317 74 HG LEU 24 HG LEU 24 -11.488 12.438 -5.821 75 HD11 LEU 24 1HD1 LEU 24 -12.377 10.215 -5.918 76 HD12 LEU 24 2HD1 LEU 24 -10.787 9.553 -6.288 77 HD13 LEU 24 3HD1 LEU 24 -11.611 10.582 -7.459 78 HD21 LEU 24 1HD2 LEU 24 -9.753 10.480 -4.321 79 HD22 LEU 24 2HD2 LEU 24 -11.363 10.999 -3.840 80 HD23 LEU 24 3HD2 LEU 24 -10.038 12.165 -3.880 81 H ARG 25 H ARG 25 -6.827 13.443 -5.208 82 HA ARG 25 HA ARG 25 -7.988 13.833 -2.588 83 HB2 ARG 25 2HB ARG 25 -5.128 13.799 -3.547 84 HB3 ARG 25 1HB ARG 25 -5.603 13.929 -1.859 85 HG2 ARG 25 2HG ARG 25 -6.750 11.690 -3.362 86 HG3 ARG 25 1HG ARG 25 -4.996 11.570 -2.862 87 HD2 ARG 25 2HD ARG 25 -7.516 12.010 -1.435 88 HD3 ARG 25 1HD ARG 25 -6.607 10.488 -1.650 89 HE ARG 25 HE ARG 25 -5.384 12.762 -0.244 90 HH11 ARG 25 1HH1 ARG 25 -6.482 9.351 -0.245 91 HH12 ARG 25 2HH1 ARG 25 -5.770 9.008 1.254 92 HH21 ARG 25 1HH2 ARG 25 -4.463 12.201 1.946 93 HH22 ARG 25 2HH2 ARG 25 -4.723 10.586 2.462 94 H GLU 26 H GLU 26 -5.881 15.572 -4.781 95 HA GLU 26 HA GLU 26 -5.622 17.978 -3.519 96 HB2 GLU 26 2HB GLU 26 -5.893 17.189 -6.376 97 HB3 GLU 26 1HB GLU 26 -5.620 18.848 -5.923 98 HG2 GLU 26 2HG GLU 26 -3.495 18.178 -4.874 99 HG3 GLU 26 1HG GLU 26 -3.804 16.510 -5.372 100 H ARG 27 H ARG 27 -8.214 16.916 -5.704 101 HA ARG 27 HA ARG 27 -9.647 19.340 -5.355 102 HB2 ARG 27 2HB ARG 27 -10.054 16.897 -6.935 103 HB3 ARG 27 1HB ARG 27 -11.517 17.755 -6.480 104 HG2 ARG 27 2HG ARG 27 -10.718 18.352 -8.733 105 HG3 ARG 27 1HG ARG 27 -10.751 19.736 -7.658 106 HD2 ARG 27 2HD ARG 27 -8.224 18.173 -8.158 107 HD3 ARG 27 1HD ARG 27 -8.739 19.457 -9.245 108 HE ARG 27 HE ARG 27 -8.771 20.584 -6.746 109 HH11 ARG 27 1HH1 ARG 27 -6.259 19.034 -8.766 110 HH12 ARG 27 2HH1 ARG 27 -4.975 19.761 -7.963 111 HH21 ARG 27 1HH2 ARG 27 -6.992 21.726 -5.757 112 HH22 ARG 27 2HH2 ARG 27 -5.393 21.391 -6.291 113 H LEU 28 H LEU 28 -10.211 16.009 -4.018 114 HA LEU 28 HA LEU 28 -12.629 16.712 -2.786 115 HB2 LEU 28 2HB LEU 28 -11.272 14.403 -3.231 116 HB3 LEU 28 1HB LEU 28 -11.014 14.610 -1.514 117 HG LEU 28 HG LEU 28 -13.685 14.608 -2.840 118 HD11 LEU 28 1HD1 LEU 28 -13.953 12.349 -1.919 119 HD12 LEU 28 2HD1 LEU 28 -12.301 12.413 -1.312 120 HD13 LEU 28 3HD1 LEU 28 -12.607 12.438 -3.055 121 HD21 LEU 28 1HD2 LEU 28 -13.718 15.789 -0.730 122 HD22 LEU 28 2HD2 LEU 28 -12.915 14.437 0.067 123 HD23 LEU 28 3HD2 LEU 28 -14.552 14.244 -0.558 124 H ILE 29 H ILE 29 -9.308 16.867 -1.664 125 HA ILE 29 HA ILE 29 -10.092 17.444 0.990 126 HB ILE 29 HB ILE 29 -7.367 17.637 -0.400 127 HG12 ILE 29 2HG1 ILE 29 -8.475 15.704 1.608 128 HG13 ILE 29 1HG1 ILE 29 -8.543 15.427 -0.125 129 HG21 ILE 29 1HG2 ILE 29 -7.990 17.850 2.565 130 HG22 ILE 29 2HG2 ILE 29 -7.417 19.183 1.561 131 HG23 ILE 29 3HG2 ILE 29 -6.382 17.782 1.857 132 HD11 ILE 29 1HD1 ILE 29 -6.876 14.161 1.026 133 HD12 ILE 29 2HD1 ILE 29 -6.030 15.622 1.554 134 HD13 ILE 29 3HD1 ILE 29 -6.131 15.191 -0.179 135 H GLN 30 H GLN 30 -9.684 19.262 -1.849 136 HA GLN 30 HA GLN 30 -9.743 21.865 -0.577 137 HB2 GLN 30 2HB GLN 30 -8.619 21.407 -2.751 138 HB3 GLN 30 1HB GLN 30 -10.174 21.007 -3.446 139 HG2 GLN 30 2HG GLN 30 -10.906 23.325 -3.036 140 HG3 GLN 30 1HG GLN 30 -9.286 23.696 -2.443 141 HE21 GLN 30 1HE2 GLN 30 -10.725 24.764 -4.704 142 HE22 GLN 30 2HE2 GLN 30 -9.736 24.497 -6.097 143 H GLU 31 H GLU 31 -11.889 19.605 -2.109 144 HA GLU 31 HA GLU 31 -14.207 20.802 -2.806 145 HB2 GLU 31 2HB GLU 31 -13.660 18.500 -3.178 146 HB3 GLU 31 1HB GLU 31 -13.734 18.157 -1.463 147 HG2 GLU 31 2HG GLU 31 -15.663 17.255 -2.412 148 HG3 GLU 31 1HG GLU 31 -16.171 18.730 -1.598 149 H LEU 32 H LEU 32 -13.685 19.359 0.456 150 HA LEU 32 HA LEU 32 -15.972 20.976 1.359 151 HB2 LEU 32 2HB LEU 32 -14.640 18.601 2.628 152 HB3 LEU 32 1HB LEU 32 -15.999 19.466 3.311 153 HG LEU 32 HG LEU 32 -16.019 17.912 0.726 154 HD11 LEU 32 1HD1 LEU 32 -15.835 16.399 2.573 155 HD12 LEU 32 2HD1 LEU 32 -17.509 16.390 2.030 156 HD13 LEU 32 3HD1 LEU 32 -17.058 17.287 3.474 157 HD21 LEU 32 1HD2 LEU 32 -17.603 19.770 0.677 158 HD22 LEU 32 2HD2 LEU 32 -18.255 19.271 2.237 159 HD23 LEU 32 3HD2 LEU 32 -18.454 18.234 0.825 160 H ASN 33 H ASN 33 -13.045 21.787 1.036 161 HA ASN 33 HA ASN 33 -11.382 22.886 2.111 162 HB2 ASN 33 2HB ASN 33 -13.327 24.491 2.506 163 HB3 ASN 33 1HB ASN 33 -13.551 23.740 4.078 164 HD21 ASN 33 1HD2 ASN 33 -12.009 24.121 5.673 165 HD22 ASN 33 2HD2 ASN 33 -10.887 25.451 5.586 166 H LEU 34 H LEU 34 -10.940 20.571 2.532 167 HA LEU 34 HA LEU 34 -10.972 19.853 5.353 168 HB2 LEU 34 2HB LEU 34 -10.711 18.241 2.811 169 HB3 LEU 34 1HB LEU 34 -10.387 17.568 4.395 170 HG LEU 34 HG LEU 34 -13.049 18.822 3.875 171 HD11 LEU 34 1HD1 LEU 34 -12.673 17.199 1.962 172 HD12 LEU 34 2HD1 LEU 34 -13.931 16.639 3.026 173 HD13 LEU 34 3HD1 LEU 34 -12.328 15.942 3.141 174 HD21 LEU 34 1HD2 LEU 34 -12.132 16.508 5.564 175 HD22 LEU 34 2HD2 LEU 34 -13.778 17.130 5.479 176 HD23 LEU 34 3HD2 LEU 34 -12.487 18.143 6.126 177 H THR 35 H THR 35 -9.000 18.615 5.953 178 HA THR 35 HA THR 35 -6.583 19.362 4.576 179 HB THR 35 HB THR 35 -5.613 19.789 6.951 180 HG1 THR 35 1HG THR 35 -7.009 20.344 8.532 181 HG21 THR 35 1HG2 THR 35 -7.534 21.830 5.806 182 HG22 THR 35 2HG2 THR 35 -5.851 21.614 5.326 183 HG23 THR 35 3HG2 THR 35 -6.240 22.178 6.951 184 HA PRO 36 HA PRO 36 -5.654 15.127 5.340 185 HB2 PRO 36 2HB PRO 36 -3.077 15.874 6.649 186 HB3 PRO 36 1HB PRO 36 -3.360 14.799 5.263 187 HG2 PRO 36 2HG PRO 36 -2.363 17.189 4.857 188 HG3 PRO 36 1HG PRO 36 -3.598 16.529 3.765 189 HD2 PRO 36 2HD PRO 36 -3.905 18.578 5.912 190 HD3 PRO 36 1HD PRO 36 -4.633 18.514 4.293 191 H GLN 37 H GLN 37 -5.381 17.310 8.042 192 HA GLN 37 HA GLN 37 -5.178 15.337 10.091 193 HB2 GLN 37 2HB GLN 37 -6.098 18.215 10.342 194 HB3 GLN 37 1HB GLN 37 -5.697 17.158 11.681 195 HG2 GLN 37 2HG GLN 37 -3.773 18.389 11.516 196 HG3 GLN 37 1HG GLN 37 -3.366 17.026 10.485 197 HE21 GLN 37 1HE2 GLN 37 -2.286 19.697 10.503 198 HE22 GLN 37 2HE2 GLN 37 -2.544 20.353 8.926 199 H GLN 38 H GLN 38 -7.828 16.890 8.455 200 HA GLN 38 HA GLN 38 -9.708 15.521 10.227 201 HB2 GLN 38 2HB GLN 38 -11.471 16.894 8.874 202 HB3 GLN 38 1HB GLN 38 -10.487 17.754 10.063 203 HG2 GLN 38 2HG GLN 38 -9.073 18.499 8.204 204 HG3 GLN 38 1HG GLN 38 -10.137 17.638 7.093 205 HE21 GLN 38 1HE2 GLN 38 -9.472 20.488 7.363 206 HE22 GLN 38 2HE2 GLN 38 -11.019 21.267 7.476 207 H LEU 39 H LEU 39 -8.551 15.590 6.960 208 HA LEU 39 HA LEU 39 -10.361 13.381 6.391 209 HB2 LEU 39 2HB LEU 39 -10.027 15.540 4.838 210 HB3 LEU 39 1HB LEU 39 -8.671 14.604 4.248 211 HG LEU 39 HG LEU 39 -11.606 14.023 4.036 212 HD11 LEU 39 1HD1 LEU 39 -10.573 15.383 2.304 213 HD12 LEU 39 2HD1 LEU 39 -11.160 13.843 1.688 214 HD13 LEU 39 3HD1 LEU 39 -9.439 14.073 1.972 215 HD21 LEU 39 1HD2 LEU 39 -11.040 11.821 3.047 216 HD22 LEU 39 2HD2 LEU 39 -10.671 11.944 4.767 217 HD23 LEU 39 3HD2 LEU 39 -9.371 12.058 3.588 218 H HIS 40 H HIS 40 -9.207 11.917 7.502 219 HA HIS 40 HA HIS 40 -6.465 11.284 6.747 220 HB2 HIS 40 2HB HIS 40 -7.436 11.327 9.177 221 HB3 HIS 40 1HB HIS 40 -8.307 9.880 8.710 222 HD1 HIS 40 HD1 HIS 40 -6.841 7.569 8.658 223 HD2 HIS 40 HD2 HIS 40 -4.683 11.044 9.529 224 HE1 HIS 40 HE1 HIS 40 -4.827 6.819 9.623 225 H GLU 41 H GLU 41 -6.253 8.850 6.135 226 HA GLU 41 HA GLU 41 -7.804 8.229 3.930 227 HB2 GLU 41 2HB GLU 41 -6.471 6.176 5.718 228 HB3 GLU 41 1HB GLU 41 -6.833 6.026 4.007 229 HG2 GLU 41 2HG GLU 41 -4.772 7.794 5.273 230 HG3 GLU 41 1HG GLU 41 -4.507 6.389 4.244 231 H GLU 42 H GLU 42 -8.131 7.172 7.206 232 HA GLU 42 HA GLU 42 -10.437 5.537 6.891 233 HB2 GLU 42 2HB GLU 42 -8.876 6.538 9.238 234 HB3 GLU 42 1HB GLU 42 -10.287 5.565 9.503 235 HG2 GLU 42 2HG GLU 42 -8.307 4.209 9.648 236 HG3 GLU 42 1HG GLU 42 -9.203 3.739 8.207 237 H SER 43 H SER 43 -10.318 8.881 6.841 238 HA SER 43 HA SER 43 -12.517 9.378 8.603 239 HB2 SER 43 2HB SER 43 -11.320 11.088 6.421 240 HB3 SER 43 1HB SER 43 -12.557 11.637 7.552 241 HG SER 43 HG SER 43 -10.885 12.197 8.667 242 H ASN 44 H ASN 44 -14.590 9.219 8.213 243 HA ASN 44 HA ASN 44 -15.476 8.037 5.778 244 HB2 ASN 44 2HB ASN 44 -16.513 7.504 7.977 245 HB3 ASN 44 1HB ASN 44 -17.165 9.138 8.033 246 HD21 ASN 44 1HD2 ASN 44 -17.443 6.006 6.626 247 HD22 ASN 44 2HD2 ASN 44 -18.936 6.283 5.804 248 H LEU 45 H LEU 45 -15.803 9.066 4.045 249 HA LEU 45 HA LEU 45 -15.817 11.876 3.866 250 HB2 LEU 45 2HB LEU 45 -16.199 9.731 1.824 251 HB3 LEU 45 1HB LEU 45 -16.370 11.424 1.410 252 HG LEU 45 HG LEU 45 -13.779 10.154 2.459 253 HD11 LEU 45 1HD1 LEU 45 -14.333 9.409 0.274 254 HD12 LEU 45 2HD1 LEU 45 -12.966 10.528 0.274 255 HD13 LEU 45 3HD1 LEU 45 -14.558 11.077 -0.249 256 HD21 LEU 45 1HD2 LEU 45 -14.434 12.971 1.507 257 HD22 LEU 45 2HD2 LEU 45 -12.837 12.348 1.844 258 HD23 LEU 45 3HD2 LEU 45 -13.999 12.521 3.154 259 H ILE 46 H ILE 46 -18.501 9.694 4.137 260 HA ILE 46 HA ILE 46 -20.393 11.588 3.078 261 HB ILE 46 HB ILE 46 -20.850 9.120 4.795 262 HG12 ILE 46 2HG1 ILE 46 -19.981 8.558 2.600 263 HG13 ILE 46 1HG1 ILE 46 -21.665 8.073 2.718 264 HG21 ILE 46 1HG2 ILE 46 -22.697 10.665 5.119 265 HG22 ILE 46 2HG2 ILE 46 -23.223 9.265 4.186 266 HG23 ILE 46 3HG2 ILE 46 -22.914 10.800 3.374 267 HD11 ILE 46 1HD1 ILE 46 -21.201 9.018 0.550 268 HD12 ILE 46 2HD1 ILE 46 -20.587 10.493 1.292 269 HD13 ILE 46 3HD1 ILE 46 -22.298 10.077 1.442 270 H GLN 47 H GLN 47 -19.159 10.701 6.201 271 HA GLN 47 HA GLN 47 -20.824 12.460 7.711 272 HB2 GLN 47 2HB GLN 47 -18.213 11.106 8.390 273 HB3 GLN 47 1HB GLN 47 -19.161 12.038 9.538 274 HG2 GLN 47 2HG GLN 47 -20.997 10.491 9.350 275 HG3 GLN 47 1HG GLN 47 -20.157 9.603 8.081 276 HE21 GLN 47 1HE2 GLN 47 -20.232 7.707 9.262 277 HE22 GLN 47 2HE2 GLN 47 -19.221 7.458 10.651 278 H ALA 48 H ALA 48 -17.849 12.754 5.996 279 HA ALA 48 HA ALA 48 -17.042 15.254 7.068 280 HB1 ALA 48 1HB ALA 48 -15.489 13.812 5.811 281 HB2 ALA 48 2HB ALA 48 -15.593 15.418 5.088 282 HB3 ALA 48 3HB ALA 48 -16.445 14.062 4.351 283 H GLY 49 H GLY 49 -19.207 14.249 4.517 284 HA2 GLY 49 2HA GLY 49 -21.170 15.698 4.398 285 HA3 GLY 49 1HA GLY 49 -20.065 17.062 4.312 286 H LEU 50 H LEU 50 -19.650 14.048 2.483 287 HA LEU 50 HA LEU 50 -19.855 15.559 -0.008 288 HB2 LEU 50 2HB LEU 50 -19.513 12.598 0.383 289 HB3 LEU 50 1HB LEU 50 -19.406 13.457 -1.124 290 HG LEU 50 HG LEU 50 -17.449 13.551 1.168 291 HD11 LEU 50 1HD1 LEU 50 -17.374 11.664 -0.365 292 HD12 LEU 50 2HD1 LEU 50 -15.948 12.714 -0.521 293 HD13 LEU 50 3HD1 LEU 50 -17.271 12.812 -1.702 294 HD21 LEU 50 1HD2 LEU 50 -17.218 15.110 -1.402 295 HD22 LEU 50 2HD2 LEU 50 -16.203 15.240 0.066 296 HD23 LEU 50 3HD2 LEU 50 -17.844 15.826 0.077 297 H ASP 51 H ASP 51 -21.800 16.186 -0.506 298 HA ASP 51 HA ASP 51 -24.139 14.655 -0.070 299 HB2 ASP 51 2HB ASP 51 -25.276 16.233 -1.575 300 HB3 ASP 51 1HB ASP 51 -24.237 17.111 -0.461 301 H SER 52 H SER 52 -25.532 13.871 -1.965 302 HA SER 52 HA SER 52 -23.927 11.916 -3.157 303 HB2 SER 52 2HB SER 52 -26.137 11.181 -4.112 304 HB3 SER 52 1HB SER 52 -25.885 11.141 -2.365 305 HG SER 52 HG SER 52 -27.928 12.122 -3.128 306 H ILE 53 H ILE 53 -24.948 15.014 -4.365 307 HA ILE 53 HA ILE 53 -24.752 14.101 -7.077 308 HB ILE 53 HB ILE 53 -24.493 16.968 -6.116 309 HG12 ILE 53 2HG1 ILE 53 -26.739 16.062 -5.593 310 HG13 ILE 53 1HG1 ILE 53 -26.836 17.262 -6.872 311 HG21 ILE 53 1HG2 ILE 53 -25.029 15.915 -8.919 312 HG22 ILE 53 2HG2 ILE 53 -23.461 16.370 -8.369 313 HG23 ILE 53 3HG2 ILE 53 -24.737 17.604 -8.479 314 HD11 ILE 53 1HD1 ILE 53 -28.296 15.384 -7.330 315 HD12 ILE 53 2HD1 ILE 53 -26.937 14.268 -7.220 316 HD13 ILE 53 3HD1 ILE 53 -27.003 15.451 -8.527 317 H ARG 54 H ARG 54 -22.843 15.792 -4.697 318 HA ARG 54 HA ARG 54 -20.511 16.231 -6.150 319 HB2 ARG 54 2HB ARG 54 -21.234 17.047 -3.875 320 HB3 ARG 54 1HB ARG 54 -20.723 15.491 -3.251 321 HG2 ARG 54 2HG ARG 54 -18.459 15.930 -3.924 322 HG3 ARG 54 1HG ARG 54 -18.955 17.455 -4.671 323 HD2 ARG 54 2HD ARG 54 -19.018 16.720 -1.757 324 HD3 ARG 54 1HD ARG 54 -18.082 17.997 -2.534 325 HE ARG 54 HE ARG 54 -21.035 18.031 -2.390 326 HH11 ARG 54 1HH1 ARG 54 -18.027 19.944 -2.430 327 HH12 ARG 54 2HH1 ARG 54 -18.721 21.273 -1.682 328 HH21 ARG 54 1HH2 ARG 54 -21.975 19.741 -1.557 329 HH22 ARG 54 2HH2 ARG 54 -21.164 21.216 -1.176 330 H LEU 55 H LEU 55 -21.681 13.516 -4.310 331 HA LEU 55 HA LEU 55 -19.448 11.850 -4.485 332 HB2 LEU 55 2HB LEU 55 -21.675 11.673 -3.038 333 HB3 LEU 55 1HB LEU 55 -22.264 10.852 -4.433 334 HG LEU 55 HG LEU 55 -20.659 9.067 -4.227 335 HD11 LEU 55 1HD1 LEU 55 -18.729 10.324 -3.396 336 HD12 LEU 55 2HD1 LEU 55 -19.134 8.992 -2.306 337 HD13 LEU 55 3HD1 LEU 55 -19.587 10.639 -1.887 338 HD21 LEU 55 1HD2 LEU 55 -21.371 8.155 -2.101 339 HD22 LEU 55 2HD2 LEU 55 -22.721 8.968 -2.905 340 HD23 LEU 55 3HD2 LEU 55 -21.864 9.763 -1.578 341 H MET 56 H MET 56 -22.372 12.094 -6.555 342 HA MET 56 HA MET 56 -21.363 10.095 -8.342 343 HB2 MET 56 2HB MET 56 -23.282 10.440 -9.742 344 HB3 MET 56 1HB MET 56 -23.819 10.495 -8.073 345 HG2 MET 56 2HG MET 56 -23.832 12.936 -8.191 346 HG3 MET 56 1HG MET 56 -23.357 12.850 -9.876 347 HE1 MET 56 HE1 MET 56 -27.427 11.319 -8.294 348 HE2 MET 56 HE2 MET 56 -26.183 12.040 -7.272 349 HE3 MET 56 HE3 MET 56 -25.921 10.456 -7.998 350 H ARG 57 H ARG 57 -20.883 13.480 -8.054 351 HA ARG 57 HA ARG 57 -20.168 14.009 -10.628 352 HB2 ARG 57 2HB ARG 57 -18.917 15.199 -8.128 353 HB3 ARG 57 1HB ARG 57 -18.545 15.777 -9.740 354 HG2 ARG 57 2HG ARG 57 -21.037 16.199 -9.988 355 HG3 ARG 57 1HG ARG 57 -21.140 15.938 -8.251 356 HD2 ARG 57 2HD ARG 57 -19.562 18.063 -9.700 357 HD3 ARG 57 1HD ARG 57 -20.970 18.297 -8.676 358 HE ARG 57 HE ARG 57 -18.616 17.135 -7.416 359 HH11 ARG 57 1HH1 ARG 57 -20.617 20.023 -7.888 360 HH12 ARG 57 2HH1 ARG 57 -19.783 20.952 -6.722 361 HH21 ARG 57 1HH2 ARG 57 -17.428 18.490 -5.793 362 HH22 ARG 57 2HH2 ARG 57 -17.925 19.998 -5.488 363 H TRP 58 H TRP 58 -18.447 12.721 -7.839 364 HA TRP 58 HA TRP 58 -15.898 12.363 -8.907 365 HB2 TRP 58 2HB TRP 58 -17.308 11.103 -6.581 366 HB3 TRP 58 1HB TRP 58 -15.691 10.594 -7.053 367 HD1 TRP 58 HD1 TRP 58 -17.244 12.860 -4.677 368 HE1 TRP 58 HE1 TRP 58 -15.621 14.696 -3.962 369 HE3 TRP 58 HE3 TRP 58 -13.766 12.349 -8.383 370 HZ2 TRP 58 HZ2 TRP 58 -13.115 15.794 -4.878 371 HZ3 TRP 58 HZ3 TRP 58 -11.821 13.832 -8.389 372 HH2 TRP 58 HH2 TRP 58 -11.523 15.517 -6.671 373 H LEU 59 H LEU 59 -18.702 10.292 -8.957 374 HA LEU 59 HA LEU 59 -17.578 7.909 -9.873 375 HB2 LEU 59 2HB LEU 59 -19.931 8.048 -9.288 376 HB3 LEU 59 1HB LEU 59 -20.220 9.163 -10.610 377 HG LEU 59 HG LEU 59 -19.678 7.383 -12.203 378 HD11 LEU 59 1HD1 LEU 59 -18.270 5.970 -10.836 379 HD12 LEU 59 2HD1 LEU 59 -19.634 5.047 -11.460 380 HD13 LEU 59 3HD1 LEU 59 -19.632 5.590 -9.781 381 HD21 LEU 59 1HD2 LEU 59 -21.980 7.858 -11.688 382 HD22 LEU 59 2HD2 LEU 59 -21.919 6.809 -10.277 383 HD23 LEU 59 3HD2 LEU 59 -21.778 6.118 -11.896 384 H HIS 60 H HIS 60 -18.480 10.777 -11.648 385 HA HIS 60 HA HIS 60 -17.856 9.674 -14.204 386 HB2 HIS 60 2HB HIS 60 -18.480 12.482 -13.292 387 HB3 HIS 60 1HB HIS 60 -18.104 12.088 -14.970 388 HD1 HIS 60 HD1 HIS 60 -20.821 11.578 -12.354 389 HD2 HIS 60 HD2 HIS 60 -20.044 10.743 -16.354 390 HE1 HIS 60 HE1 HIS 60 -22.976 10.734 -13.326 391 H TRP 61 H TRP 61 -16.184 11.517 -11.812 392 HA TRP 61 HA TRP 61 -13.909 12.169 -13.344 393 HB2 TRP 61 2HB TRP 61 -14.406 13.291 -11.203 394 HB3 TRP 61 1HB TRP 61 -14.202 11.763 -10.354 395 HD1 TRP 61 HD1 TRP 61 -12.240 14.697 -11.702 396 HE1 TRP 61 HE1 TRP 61 -9.746 14.390 -11.145 397 HE3 TRP 61 HE3 TRP 61 -12.360 9.898 -9.989 398 HZ2 TRP 61 HZ2 TRP 61 -8.088 12.400 -10.121 399 HZ3 TRP 61 HZ3 TRP 61 -10.281 8.868 -9.244 400 HH2 TRP 61 HH2 TRP 61 -8.192 10.089 -9.323 401 H PHE 62 H PHE 62 -14.644 9.449 -11.177 402 HA PHE 62 HA PHE 62 -12.209 8.064 -11.475 403 HB2 PHE 62 2HB PHE 62 -14.996 7.123 -10.862 404 HB3 PHE 62 1HB PHE 62 -13.684 5.981 -11.023 405 HD1 PHE 62 HD1 PHE 62 -11.682 6.300 -9.467 406 HD2 PHE 62 HD2 PHE 62 -15.455 8.142 -8.845 407 HE1 PHE 62 HE1 PHE 62 -11.172 6.530 -7.071 408 HE2 PHE 62 HE2 PHE 62 -14.949 8.385 -6.457 409 HZ PHE 62 HZ PHE 62 -12.805 7.572 -5.570 410 H ARG 63 H ARG 63 -15.195 7.881 -13.201 411 HA ARG 63 HA ARG 63 -14.463 5.695 -14.759 412 HB2 ARG 63 2HB ARG 63 -16.739 6.520 -14.070 413 HB3 ARG 63 1HB ARG 63 -16.680 7.577 -15.491 414 HG2 ARG 63 2HG ARG 63 -16.254 5.425 -16.807 415 HG3 ARG 63 1HG ARG 63 -16.669 4.593 -15.296 416 HD2 ARG 63 2HD ARG 63 -18.650 4.761 -16.708 417 HD3 ARG 63 1HD ARG 63 -18.838 5.743 -15.255 418 HE ARG 63 HE ARG 63 -17.915 6.954 -17.750 419 HH11 ARG 63 1HH1 ARG 63 -20.382 6.805 -15.199 420 HH12 ARG 63 2HH1 ARG 63 -21.234 8.187 -15.718 421 HH21 ARG 63 1HH2 ARG 63 -19.134 8.869 -18.498 422 HH22 ARG 63 2HH2 ARG 63 -20.512 9.370 -17.640 423 H LYS 64 H LYS 64 -13.478 8.963 -15.141 424 HA LYS 64 HA LYS 64 -13.275 9.461 -17.886 425 HB2 LYS 64 2HB LYS 64 -10.908 9.758 -16.034 426 HB3 LYS 64 1HB LYS 64 -11.158 10.606 -17.538 427 HG2 LYS 64 2HG LYS 64 -13.033 11.822 -16.446 428 HG3 LYS 64 1HG LYS 64 -12.606 11.010 -14.934 429 HD2 LYS 64 2HD LYS 64 -10.896 12.935 -16.535 430 HD3 LYS 64 1HD LYS 64 -11.537 13.171 -14.916 431 HE2 LYS 64 2HE LYS 64 -9.427 11.101 -15.673 432 HE3 LYS 64 1HE LYS 64 -9.095 12.662 -14.954 433 HZ1 LYS 64 1HZ LYS 64 -10.184 11.983 -12.939 434 HZ2 LYS 64 2HZ LYS 64 -9.085 10.788 -13.345 435 HZ3 LYS 64 3HZ LYS 64 -10.723 10.544 -13.621 436 H ASN 65 H ASN 65 -11.065 7.599 -15.859 437 HA ASN 65 HA ASN 65 -9.683 6.543 -18.240 438 HB2 ASN 65 2HB ASN 65 -8.817 6.459 -15.324 439 HB3 ASN 65 1HB ASN 65 -7.863 5.922 -16.696 440 HD21 ASN 65 1HD2 ASN 65 -7.177 7.880 -14.692 441 HD22 ASN 65 2HD2 ASN 65 -6.909 9.364 -15.509 442 H GLY 66 H GLY 66 -12.261 5.822 -17.076 443 HA2 GLY 66 2HA GLY 66 -13.540 4.008 -16.620 444 HA3 GLY 66 1HA GLY 66 -12.247 3.065 -17.349 445 H TYR 67 H TYR 67 -12.310 5.031 -14.329 446 HA TYR 67 HA TYR 67 -10.958 2.937 -13.155 447 HB2 TYR 67 2HB TYR 67 -11.935 5.458 -11.925 448 HB3 TYR 67 1HB TYR 67 -11.368 4.141 -10.884 449 HD1 TYR 67 HD1 TYR 67 -10.287 7.052 -12.345 450 HD2 TYR 67 HD2 TYR 67 -9.185 2.962 -12.026 451 HE1 TYR 67 HE1 TYR 67 -7.948 7.621 -12.872 452 HE2 TYR 67 HE2 TYR 67 -6.875 3.533 -12.538 453 HH TYR 67 HH TYR 67 -5.658 6.569 -12.441 454 H ARG 68 H ARG 68 -11.464 2.001 -11.098 455 HA ARG 68 HA ARG 68 -13.416 0.175 -12.269 456 HB2 ARG 68 2HB ARG 68 -11.199 -0.387 -10.289 457 HB3 ARG 68 1HB ARG 68 -12.340 -1.587 -10.828 458 HG2 ARG 68 2HG ARG 68 -10.211 -1.836 -11.976 459 HG3 ARG 68 1HG ARG 68 -11.481 -1.406 -13.121 460 HD2 ARG 68 2HD ARG 68 -10.732 0.800 -13.261 461 HD3 ARG 68 1HD ARG 68 -9.712 0.604 -11.838 462 HE ARG 68 HE ARG 68 -8.446 -1.025 -13.294 463 HH11 ARG 68 1HH1 ARG 68 -10.153 1.650 -14.888 464 HH12 ARG 68 2HH1 ARG 68 -8.908 2.081 -15.935 465 HH21 ARG 68 1HH2 ARG 68 -6.675 -0.461 -14.767 466 HH22 ARG 68 2HH2 ARG 68 -6.843 0.810 -15.877 467 H LEU 69 H LEU 69 -15.126 1.719 -11.292 468 HA LEU 69 HA LEU 69 -16.143 0.268 -9.088 469 HB2 LEU 69 2HB LEU 69 -16.359 2.217 -7.536 470 HB3 LEU 69 1HB LEU 69 -14.748 1.573 -7.723 471 HG LEU 69 HG LEU 69 -14.338 3.520 -9.331 472 HD11 LEU 69 1HD1 LEU 69 -15.704 5.507 -9.006 473 HD12 LEU 69 2HD1 LEU 69 -16.821 4.581 -8.003 474 HD13 LEU 69 3HD1 LEU 69 -16.641 4.190 -9.714 475 HD21 LEU 69 1HD2 LEU 69 -13.371 3.389 -7.136 476 HD22 LEU 69 2HD2 LEU 69 -14.851 4.019 -6.419 477 HD23 LEU 69 3HD2 LEU 69 -13.877 5.044 -7.474 478 H THR 70 H THR 70 -18.075 1.514 -8.175 479 HA THR 70 HA THR 70 -19.633 2.766 -10.280 480 HB THR 70 HB THR 70 -20.680 0.655 -8.340 481 HG1 THR 70 1HG THR 70 -19.275 0.358 -10.678 482 HG21 THR 70 1HG2 THR 70 -22.361 2.179 -9.315 483 HG22 THR 70 2HG2 THR 70 -22.571 0.533 -9.912 484 HG23 THR 70 3HG2 THR 70 -21.805 1.751 -10.933 485 H LEU 71 H LEU 71 -21.533 3.915 -9.012 486 HA LEU 71 HA LEU 71 -20.417 5.505 -6.992 487 HB2 LEU 71 2HB LEU 71 -22.414 5.984 -8.540 488 HB3 LEU 71 1HB LEU 71 -23.242 4.984 -7.353 489 HG LEU 71 HG LEU 71 -22.964 6.530 -5.608 490 HD11 LEU 71 1HD1 LEU 71 -21.327 7.993 -7.581 491 HD12 LEU 71 2HD1 LEU 71 -20.801 7.208 -6.079 492 HD13 LEU 71 3HD1 LEU 71 -21.816 8.671 -6.012 493 HD21 LEU 71 1HD2 LEU 71 -24.191 8.463 -6.457 494 HD22 LEU 71 2HD2 LEU 71 -24.843 6.964 -7.121 495 HD23 LEU 71 3HD2 LEU 71 -23.804 7.991 -8.111 496 H ARG 72 H ARG 72 -22.208 2.550 -6.892 497 HA ARG 72 HA ARG 72 -23.300 2.381 -4.315 498 HB2 ARG 72 2HB ARG 72 -21.741 0.132 -5.505 499 HB3 ARG 72 1HB ARG 72 -23.154 0.040 -4.483 500 HG2 ARG 72 2HG ARG 72 -24.562 0.721 -6.322 501 HG3 ARG 72 1HG ARG 72 -23.140 0.962 -7.348 502 HD2 ARG 72 2HD ARG 72 -24.145 -1.636 -6.184 503 HD3 ARG 72 1HD ARG 72 -24.024 -1.195 -7.889 504 HE ARG 72 HE ARG 72 -21.547 -1.347 -6.274 505 HH11 ARG 72 1HH1 ARG 72 -23.434 -2.735 -8.937 506 HH12 ARG 72 2HH1 ARG 72 -22.139 -3.708 -9.467 507 HH21 ARG 72 1HH2 ARG 72 -19.929 -2.573 -6.917 508 HH22 ARG 72 2HH2 ARG 72 -20.001 -3.635 -8.260 509 H GLU 73 H GLU 73 -20.100 2.153 -5.508 510 HA GLU 73 HA GLU 73 -19.037 0.584 -3.430 511 HB2 GLU 73 2HB GLU 73 -17.449 2.276 -5.334 512 HB3 GLU 73 1HB GLU 73 -16.890 0.858 -4.453 513 HG2 GLU 73 2HG GLU 73 -19.136 0.852 -6.316 514 HG3 GLU 73 1HG GLU 73 -17.480 0.488 -6.900 515 H LEU 74 H LEU 74 -19.304 3.946 -4.189 516 HA LEU 74 HA LEU 74 -17.414 4.917 -2.276 517 HB2 LEU 74 2HB LEU 74 -19.512 6.462 -3.803 518 HB3 LEU 74 1HB LEU 74 -18.116 7.122 -2.983 519 HG LEU 74 HG LEU 74 -18.085 5.413 -5.470 520 HD11 LEU 74 1HD1 LEU 74 -18.796 7.695 -5.879 521 HD12 LEU 74 2HD1 LEU 74 -17.193 7.404 -6.551 522 HD13 LEU 74 3HD1 LEU 74 -17.367 8.303 -5.044 523 HD21 LEU 74 1HD2 LEU 74 -15.780 6.595 -3.918 524 HD22 LEU 74 2HD2 LEU 74 -15.658 5.842 -5.504 525 HD23 LEU 74 3HD2 LEU 74 -16.144 4.877 -4.108 526 H TYR 75 H TYR 75 -20.775 4.156 -2.357 527 HA TYR 75 HA TYR 75 -21.415 5.573 0.091 528 HB2 TYR 75 2HB TYR 75 -22.928 3.516 -1.513 529 HB3 TYR 75 1HB TYR 75 -23.504 4.117 0.033 530 HD1 TYR 75 HD1 TYR 75 -23.481 4.578 -3.494 531 HD2 TYR 75 HD2 TYR 75 -23.962 6.646 0.190 532 HE1 TYR 75 HE1 TYR 75 -24.711 6.361 -4.657 533 HE2 TYR 75 HE2 TYR 75 -25.180 8.442 -0.972 534 HH TYR 75 HH TYR 75 -26.330 8.088 -4.146 535 H ALA 76 H ALA 76 -20.658 2.316 -0.956 536 HA ALA 76 HA ALA 76 -21.155 0.962 1.442 537 HB1 ALA 76 1HB ALA 76 -19.833 -0.852 0.489 538 HB2 ALA 76 2HB ALA 76 -19.200 0.243 -0.741 539 HB3 ALA 76 3HB ALA 76 -20.915 -0.165 -0.724 540 H ALA 77 H ALA 77 -18.129 2.303 0.141 541 HA ALA 77 HA ALA 77 -17.201 2.372 2.899 542 HB1 ALA 77 1HB ALA 77 -15.486 1.491 0.576 543 HB2 ALA 77 2HB ALA 77 -16.145 0.432 1.823 544 HB3 ALA 77 3HB ALA 77 -14.961 1.669 2.250 545 HA PRO 78 HA PRO 78 -16.484 6.397 0.967 546 HB2 PRO 78 2HB PRO 78 -17.819 7.789 3.000 547 HB3 PRO 78 1HB PRO 78 -18.492 7.369 1.413 548 HG2 PRO 78 2HG PRO 78 -19.349 6.365 3.890 549 HG3 PRO 78 1HG PRO 78 -19.819 5.790 2.283 550 HD2 PRO 78 2HD PRO 78 -17.845 4.651 4.169 551 HD3 PRO 78 1HD PRO 78 -18.824 3.851 2.922 552 H THR 79 H THR 79 -14.338 5.964 1.604 553 HA THR 79 HA THR 79 -13.349 7.695 3.689 554 HB THR 79 HB THR 79 -11.729 5.780 4.332 555 HG1 THR 79 1HG THR 79 -13.839 4.223 3.247 556 HG21 THR 79 1HG2 THR 79 -13.222 4.818 6.054 557 HG22 THR 79 2HG2 THR 79 -14.615 5.488 5.197 558 HG23 THR 79 3HG2 THR 79 -13.427 6.567 5.923 559 H LEU 80 H LEU 80 -11.253 8.438 2.927 560 HA LEU 80 HA LEU 80 -11.011 8.097 0.225 561 HB2 LEU 80 2HB LEU 80 -9.321 9.441 2.186 562 HB3 LEU 80 1HB LEU 80 -8.542 8.971 0.677 563 HG LEU 80 HG LEU 80 -10.976 10.780 0.896 564 HD11 LEU 80 1HD1 LEU 80 -9.426 12.484 0.126 565 HD12 LEU 80 2HD1 LEU 80 -8.149 11.278 0.106 566 HD13 LEU 80 3HD1 LEU 80 -8.854 11.778 1.654 567 HD21 LEU 80 1HD2 LEU 80 -10.719 11.136 -1.454 568 HD22 LEU 80 2HD2 LEU 80 -10.847 9.391 -1.237 569 HD23 LEU 80 3HD2 LEU 80 -9.274 10.165 -1.510 570 H ALA 81 H ALA 81 -9.633 6.332 2.849 571 HA ALA 81 HA ALA 81 -7.493 4.954 1.766 572 HB1 ALA 81 1HB ALA 81 -7.965 3.214 3.388 573 HB2 ALA 81 2HB ALA 81 -9.619 3.781 3.553 574 HB3 ALA 81 3HB ALA 81 -8.301 4.776 4.146 575 H ALA 82 H ALA 82 -10.940 4.201 1.616 576 HA ALA 82 HA ALA 82 -10.611 1.828 0.103 577 HB1 ALA 82 1HB ALA 82 -12.578 2.221 1.501 578 HB2 ALA 82 2HB ALA 82 -13.029 1.896 -0.173 579 HB3 ALA 82 3HB ALA 82 -13.061 3.547 0.445 580 H TRP 83 H TRP 83 -11.513 5.144 -0.716 581 HA TRP 83 HA TRP 83 -12.086 4.832 -3.416 582 HB2 TRP 83 2HB TRP 83 -10.903 7.232 -1.978 583 HB3 TRP 83 1HB TRP 83 -11.420 7.262 -3.657 584 HD1 TRP 83 HD1 TRP 83 -13.382 5.715 -0.722 585 HE1 TRP 83 HE1 TRP 83 -15.688 6.916 -0.589 586 HE3 TRP 83 HE3 TRP 83 -12.643 9.250 -4.253 587 HZ2 TRP 83 HZ2 TRP 83 -16.965 9.079 -1.801 588 HZ3 TRP 83 HZ3 TRP 83 -14.438 10.876 -4.718 589 HH2 TRP 83 HH2 TRP 83 -16.550 10.791 -3.512 590 H ASN 84 H ASN 84 -8.963 5.152 -1.882 591 HA ASN 84 HA ASN 84 -7.469 5.340 -4.338 592 HB2 ASN 84 2HB ASN 84 -6.514 6.261 -2.321 593 HB3 ASN 84 1HB ASN 84 -6.581 4.717 -1.503 594 HD21 ASN 84 1HD2 ASN 84 -4.376 4.694 -1.093 595 HD22 ASN 84 2HD2 ASN 84 -3.210 4.468 -2.351 596 H GLN 85 H GLN 85 -8.104 2.754 -2.002 597 HA GLN 85 HA GLN 85 -6.524 0.839 -3.356 598 HB2 GLN 85 2HB GLN 85 -8.668 0.444 -1.274 599 HB3 GLN 85 1HB GLN 85 -7.586 -0.811 -1.876 600 HG2 GLN 85 2HG GLN 85 -5.666 0.338 -1.013 601 HG3 GLN 85 1HG GLN 85 -6.663 1.713 -0.541 602 HE21 GLN 85 1HE2 GLN 85 -7.956 1.548 1.225 603 HE22 GLN 85 2HE2 GLN 85 -7.761 0.300 2.421 604 H LEU 86 H LEU 86 -9.784 1.872 -3.806 605 HA LEU 86 HA LEU 86 -10.727 -0.384 -5.159 606 HB2 LEU 86 2HB LEU 86 -11.495 2.501 -5.558 607 HB3 LEU 86 1HB LEU 86 -12.345 1.138 -6.256 608 HG LEU 86 HG LEU 86 -12.082 1.766 -3.318 609 HD11 LEU 86 1HD1 LEU 86 -14.417 1.739 -5.159 610 HD12 LEU 86 2HD1 LEU 86 -13.635 3.174 -4.481 611 HD13 LEU 86 3HD1 LEU 86 -14.495 2.044 -3.420 612 HD21 LEU 86 1HD2 LEU 86 -13.445 -0.566 -4.667 613 HD22 LEU 86 2HD2 LEU 86 -13.607 -0.136 -2.967 614 HD23 LEU 86 3HD2 LEU 86 -12.042 -0.644 -3.595 615 H MET 87 H MET 87 -8.493 2.054 -6.160 616 HA MET 87 HA MET 87 -8.612 1.243 -8.947 617 HB2 MET 87 2HB MET 87 -6.601 2.995 -7.531 618 HB3 MET 87 1HB MET 87 -6.705 2.749 -9.265 619 HG2 MET 87 2HG MET 87 -8.938 3.767 -9.241 620 HG3 MET 87 1HG MET 87 -8.753 4.071 -7.514 621 HE1 MET 87 HE1 MET 87 -9.494 6.197 -9.552 622 HE2 MET 87 HE2 MET 87 -8.454 7.605 -9.166 623 HE3 MET 87 HE3 MET 87 -9.212 6.688 -7.874 624 H LEU 88 H LEU 88 -6.006 1.294 -6.509 625 HA LEU 88 HA LEU 88 -4.308 -0.463 -7.906 626 HB2 LEU 88 2HB LEU 88 -4.256 0.762 -5.217 627 HB3 LEU 88 1HB LEU 88 -3.106 -0.507 -5.597 628 HG LEU 88 HG LEU 88 -2.188 0.902 -7.313 629 HD11 LEU 88 1HD1 LEU 88 -4.304 2.889 -6.521 630 HD12 LEU 88 2HD1 LEU 88 -4.225 2.019 -8.052 631 HD13 LEU 88 3HD1 LEU 88 -2.966 3.186 -7.636 632 HD21 LEU 88 1HD2 LEU 88 -1.405 1.100 -5.100 633 HD22 LEU 88 2HD2 LEU 88 -2.644 2.312 -4.727 634 HD23 LEU 88 3HD2 LEU 88 -1.361 2.678 -5.901 635 H SER 89 H SER 89 -6.897 -1.349 -5.787 636 HA SER 89 HA SER 89 -5.650 -3.985 -5.580 637 HB2 SER 89 2HB SER 89 -7.959 -2.858 -3.987 638 HB3 SER 89 1HB SER 89 -7.155 -4.408 -3.708 639 HG SER 89 HG SER 89 -5.254 -2.661 -3.791 640 H ARG 90 H ARG 90 -7.454 -2.525 -7.703 641 HA ARG 90 HA ARG 90 -8.996 -4.961 -8.268 642 HB2 ARG 90 2HB ARG 90 -9.874 -2.113 -8.687 643 HB3 ARG 90 1HB ARG 90 -10.666 -3.486 -9.447 644 HG2 ARG 90 2HG ARG 90 -11.157 -4.412 -7.225 645 HG3 ARG 90 1HG ARG 90 -10.409 -2.993 -6.489 646 HD2 ARG 90 2HD ARG 90 -12.029 -1.559 -7.512 647 HD3 ARG 90 1HD ARG 90 -12.715 -2.930 -8.391 648 HE ARG 90 HE ARG 90 -12.769 -3.488 -5.659 649 HH11 ARG 90 1HH1 ARG 90 -14.392 -1.179 -7.852 650 HH12 ARG 90 2HH1 ARG 90 -15.874 -1.277 -6.974 651 HH21 ARG 90 1HH2 ARG 90 -14.916 -3.503 -4.510 652 HH22 ARG 90 2HH2 ARG 90 -16.161 -2.532 -5.183 653 H SER 91 H SER 91 -6.425 -3.310 -9.090 654 HA SER 91 HA SER 91 -6.170 -4.385 -11.687 655 HB2 SER 91 2HB SER 91 -6.347 -1.370 -11.234 656 HB3 SER 91 1HB SER 91 -5.698 -2.079 -12.703 657 HG SER 91 HG SER 91 -8.105 -3.081 -11.996 658 HA PRO 92 HA PRO 92 -1.718 -4.061 -10.512 659 HB2 PRO 92 2HB PRO 92 -1.508 -1.630 -12.266 660 HB3 PRO 92 1HB PRO 92 -0.365 -2.978 -12.088 661 HG2 PRO 92 2HG PRO 92 -1.971 -2.906 -14.169 662 HG3 PRO 92 1HG PRO 92 -1.612 -4.433 -13.342 663 HD2 PRO 92 2HD PRO 92 -4.118 -2.895 -13.391 664 HD3 PRO 92 1HD PRO 92 -3.859 -4.615 -13.080 665 H GLU 93 H GLU 93 -0.432 -2.886 -9.069 666 HA GLU 93 HA GLU 93 -2.040 -1.281 -7.357 667 HB2 GLU 93 2HB GLU 93 0.231 -1.574 -5.971 668 HB3 GLU 93 1HB GLU 93 -1.030 -2.789 -6.023 669 HG2 GLU 93 2HG GLU 93 1.191 -3.799 -6.268 670 HG3 GLU 93 1HG GLU 93 0.223 -4.058 -7.706 Start of MODEL 16 1 H ASP 14 1H ASP 14 0.488 0.277 -3.794 2 HA ASP 14 HA ASP 14 -0.897 1.792 -1.704 3 HB2 ASP 14 2HB ASP 14 0.991 3.481 -1.958 4 HB3 ASP 14 1HB ASP 14 1.437 1.974 -1.165 5 H ASN 15 H ASN 15 0.804 2.837 -4.695 6 HA ASN 15 HA ASN 15 -1.755 3.331 -5.908 7 HB2 ASN 15 2HB ASN 15 -1.467 5.711 -6.285 8 HB3 ASN 15 1HB ASN 15 -1.374 5.398 -4.567 9 HD21 ASN 15 1HD2 ASN 15 1.590 4.601 -4.658 10 HD22 ASN 15 2HD2 ASN 15 2.360 6.079 -5.004 11 H ARG 16 H ARG 16 -1.618 2.605 -7.850 12 HA ARG 16 HA ARG 16 0.860 3.105 -9.377 13 HB2 ARG 16 2HB ARG 16 -1.215 0.913 -9.773 14 HB3 ARG 16 1HB ARG 16 -0.041 1.314 -11.010 15 HG2 ARG 16 2HG ARG 16 0.660 -0.650 -9.760 16 HG3 ARG 16 1HG ARG 16 1.778 0.681 -9.472 17 HD2 ARG 16 2HD ARG 16 0.600 1.161 -7.369 18 HD3 ARG 16 1HD ARG 16 -0.445 -0.215 -7.630 19 HE ARG 16 HE ARG 16 1.505 -1.633 -7.402 20 HH11 ARG 16 1HH1 ARG 16 2.133 1.741 -6.475 21 HH12 ARG 16 2HH1 ARG 16 3.032 1.298 -5.105 22 HH21 ARG 16 1HH2 ARG 16 2.726 -2.183 -5.737 23 HH22 ARG 16 2HH2 ARG 16 3.476 -1.033 -4.666 24 H HIS 17 H HIS 17 -2.427 2.388 -10.416 25 HA HIS 17 HA HIS 17 -2.462 4.616 -12.216 26 HB2 HIS 17 2HB HIS 17 -4.306 2.411 -11.523 27 HB3 HIS 17 1HB HIS 17 -5.016 3.892 -12.161 28 HD1 HIS 17 HD1 HIS 17 -4.535 4.468 -14.610 29 HD2 HIS 17 HD2 HIS 17 -2.793 0.924 -13.338 30 HE1 HIS 17 HE1 HIS 17 -3.792 3.255 -16.712 31 H ALA 18 H ALA 18 -3.249 4.034 -9.046 32 HA ALA 18 HA ALA 18 -5.224 5.910 -8.547 33 HB1 ALA 18 1HB ALA 18 -4.729 5.615 -6.214 34 HB2 ALA 18 2HB ALA 18 -3.219 4.768 -6.624 35 HB3 ALA 18 3HB ALA 18 -4.786 4.085 -7.078 36 H ALA 19 H ALA 19 -1.941 6.420 -9.245 37 HA ALA 19 HA ALA 19 -1.307 8.804 -8.024 38 HB1 ALA 19 1HB ALA 19 -0.858 8.065 -10.922 39 HB2 ALA 19 2HB ALA 19 0.185 7.615 -9.573 40 HB3 ALA 19 3HB ALA 19 0.017 9.310 -10.031 41 H ASP 20 H ASP 20 -3.643 8.173 -10.537 42 HA ASP 20 HA ASP 20 -4.314 10.850 -11.235 43 HB2 ASP 20 2HB ASP 20 -4.912 9.013 -12.706 44 HB3 ASP 20 1HB ASP 20 -5.824 8.229 -11.430 45 H TYR 21 H TYR 21 -5.615 8.514 -8.922 46 HA TYR 21 HA TYR 21 -7.703 10.096 -7.864 47 HB2 TYR 21 2HB TYR 21 -7.520 7.608 -7.553 48 HB3 TYR 21 1HB TYR 21 -6.185 7.884 -6.447 49 HD1 TYR 21 HD1 TYR 21 -6.604 8.388 -4.148 50 HD2 TYR 21 HD2 TYR 21 -9.794 8.507 -6.943 51 HE1 TYR 21 HE1 TYR 21 -8.188 8.649 -2.317 52 HE2 TYR 21 HE2 TYR 21 -11.389 8.769 -5.099 53 HH TYR 21 HH TYR 21 -11.523 8.293 -2.694 54 H GLN 22 H GLN 22 -4.307 10.052 -7.298 55 HA GLN 22 HA GLN 22 -4.183 11.328 -4.799 56 HB2 GLN 22 2HB GLN 22 -2.262 11.682 -7.119 57 HB3 GLN 22 1HB GLN 22 -1.926 12.092 -5.445 58 HG2 GLN 22 2HG GLN 22 -2.482 9.320 -6.475 59 HG3 GLN 22 1HG GLN 22 -0.874 9.976 -6.148 60 HE21 GLN 22 1HE2 GLN 22 -0.251 10.227 -4.022 61 HE22 GLN 22 2HE2 GLN 22 -1.086 9.458 -2.716 62 H GLN 23 H GLN 23 -4.770 12.549 -8.019 63 HA GLN 23 HA GLN 23 -4.685 15.314 -7.301 64 HB2 GLN 23 2HB GLN 23 -5.839 13.866 -9.682 65 HB3 GLN 23 1HB GLN 23 -5.936 15.609 -9.490 66 HG2 GLN 23 2HG GLN 23 -3.382 14.016 -9.620 67 HG3 GLN 23 1HG GLN 23 -4.094 14.914 -10.960 68 HE21 GLN 23 1HE2 GLN 23 -2.401 15.148 -7.945 69 HE22 GLN 23 2HE2 GLN 23 -2.015 16.826 -8.065 70 H LEU 24 H LEU 24 -7.265 12.911 -7.669 71 HA LEU 24 HA LEU 24 -9.387 14.659 -7.079 72 HB2 LEU 24 2HB LEU 24 -9.977 12.589 -8.045 73 HB3 LEU 24 1HB LEU 24 -9.210 11.574 -6.871 74 HG LEU 24 HG LEU 24 -11.758 13.214 -6.507 75 HD11 LEU 24 1HD1 LEU 24 -12.868 11.057 -6.607 76 HD12 LEU 24 2HD1 LEU 24 -11.320 10.272 -6.926 77 HD13 LEU 24 3HD1 LEU 24 -11.994 11.405 -8.097 78 HD21 LEU 24 1HD2 LEU 24 -10.643 12.805 -4.347 79 HD22 LEU 24 2HD2 LEU 24 -10.582 11.082 -4.713 80 HD23 LEU 24 3HD2 LEU 24 -12.138 11.883 -4.496 81 H ARG 25 H ARG 25 -7.226 12.901 -5.036 82 HA ARG 25 HA ARG 25 -8.401 13.205 -2.516 83 HB2 ARG 25 2HB ARG 25 -6.187 12.031 -3.354 84 HB3 ARG 25 1HB ARG 25 -5.456 13.534 -2.818 85 HG2 ARG 25 2HG ARG 25 -5.283 12.110 -0.938 86 HG3 ARG 25 1HG ARG 25 -6.713 13.113 -0.615 87 HD2 ARG 25 2HD ARG 25 -7.897 11.385 -0.411 88 HD3 ARG 25 1HD ARG 25 -7.651 10.977 -2.101 89 HE ARG 25 HE ARG 25 -6.599 9.599 0.182 90 HH11 ARG 25 1HH1 ARG 25 -5.542 10.489 -3.078 91 HH12 ARG 25 2HH1 ARG 25 -4.629 9.067 -3.308 92 HH21 ARG 25 1HH2 ARG 25 -5.505 7.641 -0.196 93 HH22 ARG 25 2HH2 ARG 25 -4.661 7.371 -1.651 94 H GLU 26 H GLU 26 -6.069 15.309 -4.246 95 HA GLU 26 HA GLU 26 -5.886 17.237 -2.274 96 HB2 GLU 26 2HB GLU 26 -4.191 16.893 -3.991 97 HB3 GLU 26 1HB GLU 26 -5.323 17.365 -5.242 98 HG2 GLU 26 2HG GLU 26 -4.980 19.330 -3.134 99 HG3 GLU 26 1HG GLU 26 -3.506 18.986 -4.047 100 H ARG 27 H ARG 27 -7.947 17.024 -5.162 101 HA ARG 27 HA ARG 27 -9.136 19.529 -4.701 102 HB2 ARG 27 2HB ARG 27 -10.150 17.186 -6.276 103 HB3 ARG 27 1HB ARG 27 -11.179 18.567 -5.980 104 HG2 ARG 27 2HG ARG 27 -10.329 19.022 -8.077 105 HG3 ARG 27 1HG ARG 27 -9.252 19.941 -7.037 106 HD2 ARG 27 2HD ARG 27 -8.337 17.217 -7.516 107 HD3 ARG 27 1HD ARG 27 -8.530 18.143 -8.994 108 HE ARG 27 HE ARG 27 -6.953 19.367 -6.843 109 HH11 ARG 27 1HH1 ARG 27 -6.992 17.632 -9.951 110 HH12 ARG 27 2HH1 ARG 27 -5.328 17.927 -10.261 111 HH21 ARG 27 1HH2 ARG 27 -4.705 19.792 -7.365 112 HH22 ARG 27 2HH2 ARG 27 -4.032 19.186 -8.802 113 H LEU 28 H LEU 28 -9.897 16.369 -3.375 114 HA LEU 28 HA LEU 28 -12.278 17.215 -2.158 115 HB2 LEU 28 2HB LEU 28 -10.507 14.869 -1.667 116 HB3 LEU 28 1HB LEU 28 -11.669 15.295 -0.433 117 HG LEU 28 HG LEU 28 -12.351 14.636 -3.307 118 HD11 LEU 28 1HD1 LEU 28 -12.774 13.095 -0.755 119 HD12 LEU 28 2HD1 LEU 28 -11.603 12.696 -2.014 120 HD13 LEU 28 3HD1 LEU 28 -13.333 12.621 -2.357 121 HD21 LEU 28 1HD2 LEU 28 -13.954 16.223 -2.377 122 HD22 LEU 28 2HD2 LEU 28 -14.097 15.253 -0.919 123 HD23 LEU 28 3HD2 LEU 28 -14.671 14.616 -2.452 124 H ILE 29 H ILE 29 -8.998 17.640 -1.179 125 HA ILE 29 HA ILE 29 -9.452 18.409 1.486 126 HB ILE 29 HB ILE 29 -7.359 19.562 -0.417 127 HG12 ILE 29 2HG1 ILE 29 -7.339 17.017 -0.108 128 HG13 ILE 29 1HG1 ILE 29 -5.838 17.862 0.272 129 HG21 ILE 29 1HG2 ILE 29 -7.380 19.421 2.587 130 HG22 ILE 29 2HG2 ILE 29 -7.687 20.889 1.647 131 HG23 ILE 29 3HG2 ILE 29 -6.093 20.117 1.601 132 HD11 ILE 29 1HD1 ILE 29 -6.373 16.122 1.882 133 HD12 ILE 29 2HD1 ILE 29 -7.907 16.959 2.231 134 HD13 ILE 29 3HD1 ILE 29 -6.372 17.736 2.605 135 H GLN 30 H GLN 30 -9.672 20.135 -1.568 136 HA GLN 30 HA GLN 30 -10.234 22.704 -0.372 137 HB2 GLN 30 2HB GLN 30 -10.772 21.883 -3.223 138 HB3 GLN 30 1HB GLN 30 -10.518 23.502 -2.604 139 HG2 GLN 30 2HG GLN 30 -8.155 22.876 -2.121 140 HG3 GLN 30 1HG GLN 30 -8.457 21.324 -2.905 141 HE21 GLN 30 1HE2 GLN 30 -7.057 21.620 -4.681 142 HE22 GLN 30 2HE2 GLN 30 -7.342 22.846 -5.837 143 H GLU 31 H GLU 31 -12.001 20.164 -1.984 144 HA GLU 31 HA GLU 31 -14.362 21.183 -2.748 145 HB2 GLU 31 2HB GLU 31 -13.494 18.935 -3.114 146 HB3 GLU 31 1HB GLU 31 -13.993 18.496 -1.484 147 HG2 GLU 31 2HG GLU 31 -15.606 17.698 -3.051 148 HG3 GLU 31 1HG GLU 31 -16.316 19.018 -2.120 149 H LEU 32 H LEU 32 -13.979 19.630 0.497 150 HA LEU 32 HA LEU 32 -16.513 20.947 1.222 151 HB2 LEU 32 2HB LEU 32 -15.092 18.650 2.561 152 HB3 LEU 32 1HB LEU 32 -16.614 19.341 3.073 153 HG LEU 32 HG LEU 32 -16.113 17.885 0.488 154 HD11 LEU 32 1HD1 LEU 32 -15.993 16.411 2.384 155 HD12 LEU 32 2HD1 LEU 32 -17.506 16.150 1.526 156 HD13 LEU 32 3HD1 LEU 32 -17.495 17.068 3.033 157 HD21 LEU 32 1HD2 LEU 32 -17.878 19.567 0.257 158 HD22 LEU 32 2HD2 LEU 32 -18.678 18.939 1.698 159 HD23 LEU 32 3HD2 LEU 32 -18.556 17.941 0.249 160 H ASN 33 H ASN 33 -13.740 22.124 1.210 161 HA ASN 33 HA ASN 33 -12.350 23.398 2.468 162 HB2 ASN 33 2HB ASN 33 -14.583 24.580 2.942 163 HB3 ASN 33 1HB ASN 33 -14.673 23.653 4.431 164 HD21 ASN 33 1HD2 ASN 33 -13.209 24.147 6.088 165 HD22 ASN 33 2HD2 ASN 33 -12.357 25.662 6.149 166 H LEU 34 H LEU 34 -11.711 21.015 2.653 167 HA LEU 34 HA LEU 34 -11.667 20.099 5.402 168 HB2 LEU 34 2HB LEU 34 -10.940 18.676 2.806 169 HB3 LEU 34 1HB LEU 34 -10.823 17.949 4.393 170 HG LEU 34 HG LEU 34 -13.371 19.014 3.285 171 HD11 LEU 34 1HD1 LEU 34 -12.445 16.099 3.199 172 HD12 LEU 34 2HD1 LEU 34 -12.546 17.158 1.803 173 HD13 LEU 34 3HD1 LEU 34 -14.007 16.667 2.602 174 HD21 LEU 34 1HD2 LEU 34 -12.806 17.097 5.531 175 HD22 LEU 34 2HD2 LEU 34 -14.414 17.514 4.944 176 HD23 LEU 34 3HD2 LEU 34 -13.393 18.757 5.668 177 H THR 35 H THR 35 -9.336 18.799 5.553 178 HA THR 35 HA THR 35 -7.150 20.510 4.757 179 HB THR 35 HB THR 35 -7.822 19.996 7.698 180 HG1 THR 35 1HG THR 35 -8.671 21.994 5.999 181 HG21 THR 35 1HG2 THR 35 -6.122 21.731 8.145 182 HG22 THR 35 2HG2 THR 35 -5.803 21.856 6.414 183 HG23 THR 35 3HG2 THR 35 -5.441 20.359 7.277 184 HA PRO 36 HA PRO 36 -5.552 16.294 4.725 185 HB2 PRO 36 2HB PRO 36 -3.137 17.385 6.127 186 HB3 PRO 36 1HB PRO 36 -3.216 16.345 4.686 187 HG2 PRO 36 2HG PRO 36 -2.681 18.893 4.396 188 HG3 PRO 36 1HG PRO 36 -3.782 18.072 3.272 189 HD2 PRO 36 2HD PRO 36 -4.427 19.983 5.459 190 HD3 PRO 36 1HD PRO 36 -5.203 19.762 3.879 191 H GLN 37 H GLN 37 -5.111 18.114 7.733 192 HA GLN 37 HA GLN 37 -5.037 15.766 9.395 193 HB2 GLN 37 2HB GLN 37 -5.616 18.591 10.325 194 HB3 GLN 37 1HB GLN 37 -5.071 17.251 11.312 195 HG2 GLN 37 2HG GLN 37 -3.134 18.463 11.072 196 HG3 GLN 37 1HG GLN 37 -2.981 17.318 9.741 197 HE21 GLN 37 1HE2 GLN 37 -3.555 20.603 10.630 198 HE22 GLN 37 2HE2 GLN 37 -3.365 21.278 9.050 199 H GLN 38 H GLN 38 -7.546 17.067 7.722 200 HA GLN 38 HA GLN 38 -9.555 16.172 9.648 201 HB2 GLN 38 2HB GLN 38 -9.646 18.628 9.116 202 HB3 GLN 38 1HB GLN 38 -9.757 18.216 7.411 203 HG2 GLN 38 2HG GLN 38 -11.805 17.207 7.680 204 HG3 GLN 38 1HG GLN 38 -11.760 17.374 9.440 205 HE21 GLN 38 1HE2 GLN 38 -10.667 19.951 7.287 206 HE22 GLN 38 2HE2 GLN 38 -12.003 20.992 7.592 207 H LEU 39 H LEU 39 -7.921 15.634 6.742 208 HA LEU 39 HA LEU 39 -10.035 13.962 5.732 209 HB2 LEU 39 2HB LEU 39 -10.021 16.170 4.562 210 HB3 LEU 39 1HB LEU 39 -8.393 15.883 4.036 211 HG LEU 39 HG LEU 39 -10.378 15.561 2.408 212 HD11 LEU 39 1HD1 LEU 39 -9.234 13.693 1.244 213 HD12 LEU 39 2HD1 LEU 39 -8.152 13.554 2.647 214 HD13 LEU 39 3HD1 LEU 39 -8.194 15.034 1.691 215 HD21 LEU 39 1HD2 LEU 39 -10.457 12.917 3.843 216 HD22 LEU 39 2HD2 LEU 39 -11.286 13.295 2.340 217 HD23 LEU 39 3HD2 LEU 39 -11.721 14.151 3.829 218 H HIS 40 H HIS 40 -8.996 12.439 6.727 219 HA HIS 40 HA HIS 40 -6.366 11.428 5.953 220 HB2 HIS 40 2HB HIS 40 -8.494 10.497 7.868 221 HB3 HIS 40 1HB HIS 40 -7.011 9.645 7.554 222 HD1 HIS 40 HD1 HIS 40 -5.897 9.690 9.667 223 HD2 HIS 40 HD2 HIS 40 -7.417 13.429 8.688 224 HE1 HIS 40 HE1 HIS 40 -5.477 11.091 11.636 225 H GLU 41 H GLU 41 -6.351 9.087 5.355 226 HA GLU 41 HA GLU 41 -8.308 8.218 3.501 227 HB2 GLU 41 2HB GLU 41 -6.344 6.621 5.180 228 HB3 GLU 41 1HB GLU 41 -7.212 5.997 3.791 229 HG2 GLU 41 2HG GLU 41 -5.207 8.235 3.714 230 HG3 GLU 41 1HG GLU 41 -4.871 6.554 3.308 231 H GLU 42 H GLU 42 -7.860 8.108 6.863 232 HA GLU 42 HA GLU 42 -9.833 6.229 7.710 233 HB2 GLU 42 2HB GLU 42 -8.427 8.449 9.165 234 HB3 GLU 42 1HB GLU 42 -9.224 7.197 10.033 235 HG2 GLU 42 2HG GLU 42 -7.118 6.386 10.159 236 HG3 GLU 42 1HG GLU 42 -7.447 5.761 8.543 237 H SER 43 H SER 43 -10.106 9.450 6.555 238 HA SER 43 HA SER 43 -12.210 10.239 8.332 239 HB2 SER 43 2HB SER 43 -11.180 11.525 5.800 240 HB3 SER 43 1HB SER 43 -12.410 12.226 6.850 241 HG SER 43 HG SER 43 -10.784 13.039 7.872 242 H ASN 44 H ASN 44 -14.175 9.609 8.203 243 HA ASN 44 HA ASN 44 -15.306 8.280 5.962 244 HB2 ASN 44 2HB ASN 44 -16.076 7.845 8.287 245 HB3 ASN 44 1HB ASN 44 -16.695 9.480 8.399 246 HD21 ASN 44 1HD2 ASN 44 -18.078 6.955 8.720 247 HD22 ASN 44 2HD2 ASN 44 -19.362 6.945 7.563 248 H LEU 45 H LEU 45 -15.802 9.240 4.190 249 HA LEU 45 HA LEU 45 -15.933 12.056 3.960 250 HB2 LEU 45 2HB LEU 45 -16.308 9.867 1.975 251 HB3 LEU 45 1HB LEU 45 -16.629 11.535 1.545 252 HG LEU 45 HG LEU 45 -13.926 10.507 2.522 253 HD11 LEU 45 1HD1 LEU 45 -13.220 10.829 0.273 254 HD12 LEU 45 2HD1 LEU 45 -14.877 11.210 -0.210 255 HD13 LEU 45 3HD1 LEU 45 -14.478 9.600 0.398 256 HD21 LEU 45 1HD2 LEU 45 -14.809 13.204 1.437 257 HD22 LEU 45 2HD2 LEU 45 -13.159 12.720 1.739 258 HD23 LEU 45 3HD2 LEU 45 -14.276 12.878 3.086 259 H ILE 46 H ILE 46 -18.472 9.691 4.238 260 HA ILE 46 HA ILE 46 -20.525 11.504 3.378 261 HB ILE 46 HB ILE 46 -20.683 8.988 5.072 262 HG12 ILE 46 2HG1 ILE 46 -19.979 8.547 2.781 263 HG13 ILE 46 1HG1 ILE 46 -21.594 7.906 3.053 264 HG21 ILE 46 1HG2 ILE 46 -22.977 10.558 3.912 265 HG22 ILE 46 2HG2 ILE 46 -22.566 10.388 5.618 266 HG23 ILE 46 3HG2 ILE 46 -23.105 8.981 4.700 267 HD11 ILE 46 1HD1 ILE 46 -21.448 8.887 0.887 268 HD12 ILE 46 2HD1 ILE 46 -20.833 10.398 1.559 269 HD13 ILE 46 3HD1 ILE 46 -22.499 9.891 1.892 270 H GLN 47 H GLN 47 -18.953 10.679 6.314 271 HA GLN 47 HA GLN 47 -20.596 12.161 8.119 272 HB2 GLN 47 2HB GLN 47 -19.121 10.253 8.762 273 HB3 GLN 47 1HB GLN 47 -17.731 11.265 8.404 274 HG2 GLN 47 2HG GLN 47 -18.086 11.175 10.746 275 HG3 GLN 47 1HG GLN 47 -18.425 12.810 10.164 276 HE21 GLN 47 1HE2 GLN 47 -19.764 13.344 11.854 277 HE22 GLN 47 2HE2 GLN 47 -21.328 12.624 12.069 278 H ALA 48 H ALA 48 -17.889 12.849 6.064 279 HA ALA 48 HA ALA 48 -17.218 15.397 7.189 280 HB1 ALA 48 1HB ALA 48 -15.782 15.658 5.211 281 HB2 ALA 48 2HB ALA 48 -16.530 14.255 4.467 282 HB3 ALA 48 3HB ALA 48 -15.561 14.061 5.926 283 H GLY 49 H GLY 49 -19.727 14.261 5.301 284 HA2 GLY 49 2HA GLY 49 -21.577 15.464 4.709 285 HA3 GLY 49 1HA GLY 49 -20.659 16.961 4.859 286 H LEU 50 H LEU 50 -19.575 14.194 2.941 287 HA LEU 50 HA LEU 50 -19.478 15.746 0.521 288 HB2 LEU 50 2HB LEU 50 -18.023 13.707 1.411 289 HB3 LEU 50 1HB LEU 50 -19.338 12.797 0.678 290 HG LEU 50 HG LEU 50 -18.966 13.911 -1.407 291 HD11 LEU 50 1HD1 LEU 50 -17.843 15.979 -0.722 292 HD12 LEU 50 2HD1 LEU 50 -16.784 15.050 -1.783 293 HD13 LEU 50 3HD1 LEU 50 -16.487 15.072 -0.049 294 HD21 LEU 50 1HD2 LEU 50 -16.600 12.576 -0.246 295 HD22 LEU 50 2HD2 LEU 50 -16.955 12.737 -1.976 296 HD23 LEU 50 3HD2 LEU 50 -18.026 11.774 -0.920 297 H ASP 51 H ASP 51 -21.421 16.376 -0.078 298 HA ASP 51 HA ASP 51 -23.751 14.852 0.085 299 HB2 ASP 51 2HB ASP 51 -24.771 16.422 -1.482 300 HB3 ASP 51 1HB ASP 51 -23.803 17.297 -0.304 301 H SER 52 H SER 52 -25.010 14.119 -1.822 302 HA SER 52 HA SER 52 -23.353 12.151 -2.956 303 HB2 SER 52 2HB SER 52 -26.294 12.543 -3.372 304 HB3 SER 52 1HB SER 52 -25.281 11.127 -3.762 305 HG SER 52 HG SER 52 -24.814 11.835 -1.250 306 H ILE 53 H ILE 53 -24.223 15.270 -4.153 307 HA ILE 53 HA ILE 53 -24.022 14.368 -6.875 308 HB ILE 53 HB ILE 53 -23.690 17.219 -5.883 309 HG12 ILE 53 2HG1 ILE 53 -25.962 16.393 -5.356 310 HG13 ILE 53 1HG1 ILE 53 -26.021 17.588 -6.643 311 HG21 ILE 53 1HG2 ILE 53 -23.982 17.844 -8.258 312 HG22 ILE 53 2HG2 ILE 53 -24.260 16.153 -8.669 313 HG23 ILE 53 3HG2 ILE 53 -22.683 16.640 -8.148 314 HD11 ILE 53 1HD1 ILE 53 -27.542 15.752 -7.087 315 HD12 ILE 53 2HD1 ILE 53 -26.216 14.597 -6.979 316 HD13 ILE 53 3HD1 ILE 53 -26.251 15.777 -8.289 317 H ARG 54 H ARG 54 -22.070 15.986 -4.416 318 HA ARG 54 HA ARG 54 -19.642 16.269 -5.694 319 HB2 ARG 54 2HB ARG 54 -20.567 15.949 -2.968 320 HB3 ARG 54 1HB ARG 54 -19.033 15.142 -3.212 321 HG2 ARG 54 2HG ARG 54 -18.663 17.346 -2.379 322 HG3 ARG 54 1HG ARG 54 -18.088 17.245 -4.039 323 HD2 ARG 54 2HD ARG 54 -20.017 18.416 -4.832 324 HD3 ARG 54 1HD ARG 54 -20.761 18.366 -3.229 325 HE ARG 54 HE ARG 54 -18.279 19.844 -3.866 326 HH11 ARG 54 1HH1 ARG 54 -21.304 19.547 -2.025 327 HH12 ARG 54 2HH1 ARG 54 -21.058 20.973 -1.147 328 HH21 ARG 54 1HH2 ARG 54 -17.882 21.645 -2.702 329 HH22 ARG 54 2HH2 ARG 54 -18.962 22.263 -1.531 330 H LEU 55 H LEU 55 -20.982 13.551 -4.044 331 HA LEU 55 HA LEU 55 -19.003 11.648 -4.303 332 HB2 LEU 55 2HB LEU 55 -21.276 11.785 -2.917 333 HB3 LEU 55 1HB LEU 55 -21.914 11.068 -4.337 334 HG LEU 55 HG LEU 55 -20.892 8.992 -3.990 335 HD11 LEU 55 1HD1 LEU 55 -18.596 9.833 -3.524 336 HD12 LEU 55 2HD1 LEU 55 -19.145 8.644 -2.332 337 HD13 LEU 55 3HD1 LEU 55 -19.155 10.363 -1.937 338 HD21 LEU 55 1HD2 LEU 55 -21.468 8.437 -1.714 339 HD22 LEU 55 2HD2 LEU 55 -22.666 9.560 -2.374 340 HD23 LEU 55 3HD2 LEU 55 -21.404 10.141 -1.275 341 H MET 56 H MET 56 -21.935 12.103 -6.366 342 HA MET 56 HA MET 56 -21.028 10.044 -8.131 343 HB2 MET 56 2HB MET 56 -23.018 10.412 -9.479 344 HB3 MET 56 1HB MET 56 -23.399 10.253 -7.775 345 HG2 MET 56 2HG MET 56 -23.620 12.659 -7.611 346 HG3 MET 56 1HG MET 56 -23.297 12.821 -9.340 347 HE1 MET 56 HE1 MET 56 -25.721 11.410 -6.599 348 HE2 MET 56 HE2 MET 56 -25.379 9.966 -7.550 349 HE3 MET 56 HE3 MET 56 -26.994 10.673 -7.570 350 H ARG 57 H ARG 57 -20.507 13.436 -8.108 351 HA ARG 57 HA ARG 57 -20.036 13.853 -10.794 352 HB2 ARG 57 2HB ARG 57 -18.364 14.904 -8.519 353 HB3 ARG 57 1HB ARG 57 -18.248 15.481 -10.160 354 HG2 ARG 57 2HG ARG 57 -20.467 16.404 -10.054 355 HG3 ARG 57 1HG ARG 57 -20.710 15.694 -8.448 356 HD2 ARG 57 2HD ARG 57 -18.768 17.853 -9.237 357 HD3 ARG 57 1HD ARG 57 -20.093 17.952 -8.066 358 HE ARG 57 HE ARG 57 -18.507 15.911 -7.202 359 HH11 ARG 57 1HH1 ARG 57 -18.099 19.457 -7.510 360 HH12 ARG 57 2HH1 ARG 57 -16.739 19.424 -6.460 361 HH21 ARG 57 1HH2 ARG 57 -16.570 16.026 -5.859 362 HH22 ARG 57 2HH2 ARG 57 -15.923 17.614 -5.621 363 H TRP 58 H TRP 58 -18.083 12.577 -8.147 364 HA TRP 58 HA TRP 58 -15.631 12.190 -9.443 365 HB2 TRP 58 2HB TRP 58 -16.783 10.904 -6.969 366 HB3 TRP 58 1HB TRP 58 -15.135 10.663 -7.515 367 HD1 TRP 58 HD1 TRP 58 -16.700 12.408 -4.845 368 HE1 TRP 58 HE1 TRP 58 -15.472 14.438 -4.125 369 HE3 TRP 58 HE3 TRP 58 -13.850 13.155 -9.075 370 HZ2 TRP 58 HZ2 TRP 58 -13.478 16.244 -5.197 371 HZ3 TRP 58 HZ3 TRP 58 -12.338 15.078 -9.116 372 HH2 TRP 58 HH2 TRP 58 -12.165 16.592 -7.220 373 H LEU 59 H LEU 59 -18.473 10.259 -9.117 374 HA LEU 59 HA LEU 59 -17.577 7.735 -9.890 375 HB2 LEU 59 2HB LEU 59 -19.830 8.342 -8.963 376 HB3 LEU 59 1HB LEU 59 -20.239 9.059 -10.488 377 HG LEU 59 HG LEU 59 -21.312 6.846 -10.015 378 HD11 LEU 59 1HD1 LEU 59 -21.006 5.876 -12.223 379 HD12 LEU 59 2HD1 LEU 59 -19.611 6.923 -12.485 380 HD13 LEU 59 3HD1 LEU 59 -21.215 7.626 -12.288 381 HD21 LEU 59 1HD2 LEU 59 -20.004 4.809 -10.302 382 HD22 LEU 59 2HD2 LEU 59 -19.455 5.748 -8.913 383 HD23 LEU 59 3HD2 LEU 59 -18.534 5.772 -10.419 384 H HIS 60 H HIS 60 -18.405 10.561 -11.790 385 HA HIS 60 HA HIS 60 -17.975 9.196 -14.301 386 HB2 HIS 60 2HB HIS 60 -19.607 11.093 -14.071 387 HB3 HIS 60 1HB HIS 60 -18.245 12.175 -13.801 388 HD1 HIS 60 HD1 HIS 60 -17.183 13.164 -15.907 389 HD2 HIS 60 HD2 HIS 60 -19.605 9.883 -16.688 390 HE1 HIS 60 HE1 HIS 60 -17.343 12.985 -18.414 391 H TRP 61 H TRP 61 -16.286 11.444 -12.214 392 HA TRP 61 HA TRP 61 -14.145 12.263 -13.743 393 HB2 TRP 61 2HB TRP 61 -14.710 13.178 -11.519 394 HB3 TRP 61 1HB TRP 61 -14.159 11.678 -10.784 395 HD1 TRP 61 HD1 TRP 61 -12.866 14.940 -12.232 396 HE1 TRP 61 HE1 TRP 61 -10.367 15.156 -11.756 397 HE3 TRP 61 HE3 TRP 61 -11.995 10.264 -10.397 398 HZ2 TRP 61 HZ2 TRP 61 -8.290 13.570 -10.720 399 HZ3 TRP 61 HZ3 TRP 61 -9.727 9.701 -9.675 400 HH2 TRP 61 HH2 TRP 61 -7.915 11.320 -9.836 401 H PHE 62 H PHE 62 -14.348 9.332 -11.783 402 HA PHE 62 HA PHE 62 -11.690 8.422 -12.100 403 HB2 PHE 62 2HB PHE 62 -14.282 7.105 -11.540 404 HB3 PHE 62 1HB PHE 62 -12.889 6.111 -11.873 405 HD1 PHE 62 HD1 PHE 62 -14.002 8.889 -9.661 406 HD2 PHE 62 HD2 PHE 62 -11.602 5.449 -10.183 407 HE1 PHE 62 HE1 PHE 62 -13.468 8.915 -7.269 408 HE2 PHE 62 HE2 PHE 62 -11.052 5.456 -7.774 409 HZ PHE 62 HZ PHE 62 -11.987 7.192 -6.326 410 H ARG 63 H ARG 63 -14.577 7.681 -13.900 411 HA ARG 63 HA ARG 63 -13.452 5.516 -15.244 412 HB2 ARG 63 2HB ARG 63 -16.075 6.898 -15.692 413 HB3 ARG 63 1HB ARG 63 -15.563 5.424 -16.522 414 HG2 ARG 63 2HG ARG 63 -15.447 4.244 -14.441 415 HG3 ARG 63 1HG ARG 63 -15.831 5.720 -13.550 416 HD2 ARG 63 2HD ARG 63 -17.611 4.408 -15.598 417 HD3 ARG 63 1HD ARG 63 -17.798 4.270 -13.849 418 HE ARG 63 HE ARG 63 -18.031 6.714 -13.836 419 HH11 ARG 63 1HH1 ARG 63 -18.897 4.919 -16.762 420 HH12 ARG 63 2HH1 ARG 63 -20.052 6.030 -17.326 421 HH21 ARG 63 1HH2 ARG 63 -19.652 8.268 -14.576 422 HH22 ARG 63 2HH2 ARG 63 -20.501 8.020 -16.028 423 H LYS 64 H LYS 64 -13.034 8.767 -16.084 424 HA LYS 64 HA LYS 64 -13.102 8.522 -18.903 425 HB2 LYS 64 2HB LYS 64 -12.127 10.635 -19.102 426 HB3 LYS 64 1HB LYS 64 -12.873 10.723 -17.525 427 HG2 LYS 64 2HG LYS 64 -9.927 10.218 -18.028 428 HG3 LYS 64 1HG LYS 64 -10.629 11.780 -17.630 429 HD2 LYS 64 2HD LYS 64 -11.407 10.814 -15.484 430 HD3 LYS 64 1HD LYS 64 -10.591 9.311 -15.904 431 HE2 LYS 64 2HE LYS 64 -8.446 10.415 -15.889 432 HE3 LYS 64 1HE LYS 64 -9.212 11.985 -15.666 433 HZ1 LYS 64 1HZ LYS 64 -9.987 11.220 -13.458 434 HZ2 LYS 64 2HZ LYS 64 -8.294 11.085 -13.589 435 HZ3 LYS 64 3HZ LYS 64 -9.186 9.757 -13.661 436 H ASN 65 H ASN 65 -10.792 7.371 -16.653 437 HA ASN 65 HA ASN 65 -8.966 6.710 -18.883 438 HB2 ASN 65 2HB ASN 65 -8.034 8.176 -16.990 439 HB3 ASN 65 1HB ASN 65 -8.209 6.776 -15.939 440 HD21 ASN 65 1HD2 ASN 65 -5.929 6.673 -15.559 441 HD22 ASN 65 2HD2 ASN 65 -4.869 6.151 -16.814 442 H GLY 66 H GLY 66 -11.416 5.437 -17.921 443 HA2 GLY 66 2HA GLY 66 -12.238 3.320 -17.748 444 HA3 GLY 66 1HA GLY 66 -10.620 2.744 -18.124 445 H TYR 67 H TYR 67 -11.698 4.667 -15.361 446 HA TYR 67 HA TYR 67 -10.512 2.637 -13.702 447 HB2 TYR 67 2HB TYR 67 -11.429 5.395 -12.986 448 HB3 TYR 67 1HB TYR 67 -10.948 4.209 -11.764 449 HD1 TYR 67 HD1 TYR 67 -9.818 6.970 -12.959 450 HD2 TYR 67 HD2 TYR 67 -8.689 2.912 -13.060 451 HE1 TYR 67 HE1 TYR 67 -7.460 7.630 -13.364 452 HE2 TYR 67 HE2 TYR 67 -6.385 3.520 -13.436 453 HH TYR 67 HH TYR 67 -5.210 6.593 -12.974 454 H ARG 68 H ARG 68 -11.626 2.417 -11.498 455 HA ARG 68 HA ARG 68 -14.169 1.159 -12.325 456 HB2 ARG 68 2HB ARG 68 -12.668 -0.639 -12.108 457 HB3 ARG 68 1HB ARG 68 -11.937 0.043 -10.656 458 HG2 ARG 68 2HG ARG 68 -14.278 -0.225 -9.601 459 HG3 ARG 68 1HG ARG 68 -14.606 -1.300 -10.953 460 HD2 ARG 68 2HD ARG 68 -13.015 -2.853 -10.238 461 HD3 ARG 68 1HD ARG 68 -12.202 -1.675 -9.200 462 HE ARG 68 HE ARG 68 -14.730 -1.819 -8.202 463 HH11 ARG 68 1HH1 ARG 68 -12.217 -4.248 -8.746 464 HH12 ARG 68 2HH1 ARG 68 -12.642 -5.184 -7.389 465 HH21 ARG 68 1HH2 ARG 68 -15.283 -2.992 -6.363 466 HH22 ARG 68 2HH2 ARG 68 -14.490 -4.435 -5.948 467 H LEU 69 H LEU 69 -15.774 2.215 -11.257 468 HA LEU 69 HA LEU 69 -15.902 1.328 -8.620 469 HB2 LEU 69 2HB LEU 69 -16.189 3.272 -7.349 470 HB3 LEU 69 1HB LEU 69 -14.678 3.437 -8.197 471 HG LEU 69 HG LEU 69 -17.264 4.865 -8.777 472 HD11 LEU 69 1HD1 LEU 69 -14.626 5.732 -7.684 473 HD12 LEU 69 2HD1 LEU 69 -16.151 5.599 -6.821 474 HD13 LEU 69 3HD1 LEU 69 -15.955 6.832 -8.083 475 HD21 LEU 69 1HD2 LEU 69 -16.059 4.455 -10.868 476 HD22 LEU 69 2HD2 LEU 69 -14.594 5.121 -10.149 477 HD23 LEU 69 3HD2 LEU 69 -15.993 6.166 -10.429 478 H THR 70 H THR 70 -17.840 0.929 -8.055 479 HA THR 70 HA THR 70 -19.939 2.269 -9.556 480 HB THR 70 HB THR 70 -21.483 0.559 -8.582 481 HG1 THR 70 1HG THR 70 -19.095 -0.491 -7.446 482 HG21 THR 70 1HG2 THR 70 -20.684 -1.423 -9.796 483 HG22 THR 70 2HG2 THR 70 -19.085 -0.691 -9.927 484 HG23 THR 70 3HG2 THR 70 -20.463 0.050 -10.742 485 H LEU 71 H LEU 71 -21.423 3.484 -8.297 486 HA LEU 71 HA LEU 71 -20.022 4.800 -6.244 487 HB2 LEU 71 2HB LEU 71 -21.878 5.641 -7.870 488 HB3 LEU 71 1HB LEU 71 -22.873 5.052 -6.539 489 HG LEU 71 HG LEU 71 -21.899 6.585 -4.979 490 HD11 LEU 71 1HD1 LEU 71 -20.303 8.304 -5.862 491 HD12 LEU 71 2HD1 LEU 71 -20.273 7.303 -7.341 492 HD13 LEU 71 3HD1 LEU 71 -19.694 6.641 -5.834 493 HD21 LEU 71 1HD2 LEU 71 -23.819 7.363 -6.313 494 HD22 LEU 71 2HD2 LEU 71 -22.698 7.990 -7.524 495 HD23 LEU 71 3HD2 LEU 71 -22.719 8.681 -5.902 496 H ARG 72 H ARG 72 -22.248 2.207 -6.196 497 HA ARG 72 HA ARG 72 -23.231 2.506 -3.559 498 HB2 ARG 72 2HB ARG 72 -24.096 0.907 -5.478 499 HB3 ARG 72 1HB ARG 72 -22.868 -0.195 -4.893 500 HG2 ARG 72 2HG ARG 72 -25.059 0.918 -3.151 501 HG3 ARG 72 1HG ARG 72 -25.225 -0.569 -4.080 502 HD2 ARG 72 2HD ARG 72 -23.554 -1.619 -2.890 503 HD3 ARG 72 1HD ARG 72 -22.966 -0.094 -2.225 504 HE ARG 72 HE ARG 72 -25.496 -1.410 -1.453 505 HH11 ARG 72 1HH1 ARG 72 -22.716 0.658 -0.647 506 HH12 ARG 72 2HH1 ARG 72 -23.131 0.913 0.968 507 HH21 ARG 72 1HH2 ARG 72 -26.092 -1.101 0.873 508 HH22 ARG 72 2HH2 ARG 72 -25.090 -0.144 1.860 509 H GLU 73 H GLU 73 -20.224 1.573 -4.853 510 HA GLU 73 HA GLU 73 -19.275 0.035 -2.583 511 HB2 GLU 73 2HB GLU 73 -17.745 1.333 -4.864 512 HB3 GLU 73 1HB GLU 73 -16.999 0.323 -3.633 513 HG2 GLU 73 2HG GLU 73 -18.276 -1.574 -4.344 514 HG3 GLU 73 1HG GLU 73 -19.193 -0.546 -5.453 515 H LEU 74 H LEU 74 -19.206 3.307 -3.643 516 HA LEU 74 HA LEU 74 -17.415 4.226 -1.620 517 HB2 LEU 74 2HB LEU 74 -19.430 5.935 -3.082 518 HB3 LEU 74 1HB LEU 74 -17.988 6.483 -2.260 519 HG LEU 74 HG LEU 74 -18.236 5.099 -4.902 520 HD11 LEU 74 1HD1 LEU 74 -18.347 7.558 -4.765 521 HD12 LEU 74 2HD1 LEU 74 -16.980 6.983 -5.702 522 HD13 LEU 74 3HD1 LEU 74 -16.737 7.557 -4.057 523 HD21 LEU 74 1HD2 LEU 74 -15.791 4.877 -4.966 524 HD22 LEU 74 2HD2 LEU 74 -16.507 3.882 -3.701 525 HD23 LEU 74 3HD2 LEU 74 -15.711 5.400 -3.285 526 H TYR 75 H TYR 75 -20.830 3.824 -1.916 527 HA TYR 75 HA TYR 75 -21.468 5.033 0.644 528 HB2 TYR 75 2HB TYR 75 -23.072 3.428 -1.325 529 HB3 TYR 75 1HB TYR 75 -23.706 3.885 0.259 530 HD1 TYR 75 HD1 TYR 75 -22.894 4.968 -3.128 531 HD2 TYR 75 HD2 TYR 75 -24.356 6.191 0.669 532 HE1 TYR 75 HE1 TYR 75 -23.875 6.971 -4.154 533 HE2 TYR 75 HE2 TYR 75 -25.326 8.210 -0.346 534 HH TYR 75 HH TYR 75 -25.194 9.572 -2.299 535 H ALA 76 H ALA 76 -19.845 2.309 -0.066 536 HA ALA 76 HA ALA 76 -21.152 0.659 1.977 537 HB1 ALA 76 1HB ALA 76 -19.691 -1.167 1.198 538 HB2 ALA 76 2HB ALA 76 -18.919 -0.062 0.060 539 HB3 ALA 76 3HB ALA 76 -20.619 -0.486 -0.139 540 H ALA 77 H ALA 77 -17.948 1.782 1.021 541 HA ALA 77 HA ALA 77 -17.347 2.079 3.862 542 HB1 ALA 77 1HB ALA 77 -14.987 1.560 3.356 543 HB2 ALA 77 2HB ALA 77 -15.423 1.234 1.678 544 HB3 ALA 77 3HB ALA 77 -16.039 0.198 2.966 545 HA PRO 78 HA PRO 78 -17.033 5.994 1.684 546 HB2 PRO 78 2HB PRO 78 -18.188 7.524 3.649 547 HB3 PRO 78 1HB PRO 78 -19.083 6.704 2.353 548 HG2 PRO 78 2HG PRO 78 -19.051 6.093 5.173 549 HG3 PRO 78 1HG PRO 78 -20.105 5.460 3.899 550 HD2 PRO 78 2HD PRO 78 -17.816 4.194 5.131 551 HD3 PRO 78 1HD PRO 78 -18.979 3.520 3.973 552 H THR 79 H THR 79 -14.830 5.794 1.950 553 HA THR 79 HA THR 79 -13.643 7.783 3.652 554 HB THR 79 HB THR 79 -11.755 6.021 4.052 555 HG1 THR 79 1HG THR 79 -13.979 4.388 3.470 556 HG21 THR 79 1HG2 THR 79 -13.060 6.988 5.892 557 HG22 THR 79 2HG2 THR 79 -12.728 5.281 6.197 558 HG23 THR 79 3HG2 THR 79 -14.327 5.790 5.635 559 H LEU 80 H LEU 80 -11.512 8.285 2.681 560 HA LEU 80 HA LEU 80 -11.559 8.453 -0.060 561 HB2 LEU 80 2HB LEU 80 -9.218 8.378 1.755 562 HB3 LEU 80 1HB LEU 80 -9.182 8.876 0.078 563 HG LEU 80 HG LEU 80 -10.908 10.268 2.096 564 HD11 LEU 80 1HD1 LEU 80 -9.048 11.879 2.138 565 HD12 LEU 80 2HD1 LEU 80 -8.063 10.641 1.297 566 HD13 LEU 80 3HD1 LEU 80 -8.714 10.326 2.900 567 HD21 LEU 80 1HD2 LEU 80 -10.827 12.059 0.490 568 HD22 LEU 80 2HD2 LEU 80 -11.346 10.593 -0.356 569 HD23 LEU 80 3HD2 LEU 80 -9.702 11.178 -0.522 570 H ALA 81 H ALA 81 -9.879 6.323 2.089 571 HA ALA 81 HA ALA 81 -8.128 4.860 0.628 572 HB1 ALA 81 1HB ALA 81 -8.302 3.101 2.265 573 HB2 ALA 81 2HB ALA 81 -9.883 3.691 2.770 574 HB3 ALA 81 3HB ALA 81 -8.448 4.667 3.067 575 H ALA 82 H ALA 82 -11.583 4.112 0.929 576 HA ALA 82 HA ALA 82 -11.490 1.677 -0.467 577 HB1 ALA 82 1HB ALA 82 -13.890 1.913 -0.794 578 HB2 ALA 82 2HB ALA 82 -13.813 3.580 -0.224 579 HB3 ALA 82 3HB ALA 82 -13.428 2.251 0.877 580 H TRP 83 H TRP 83 -12.139 4.970 -1.615 581 HA TRP 83 HA TRP 83 -12.839 4.107 -4.259 582 HB2 TRP 83 2HB TRP 83 -11.788 6.932 -3.935 583 HB3 TRP 83 1HB TRP 83 -13.104 6.281 -4.879 584 HD1 TRP 83 HD1 TRP 83 -13.777 5.427 -1.337 585 HE1 TRP 83 HE1 TRP 83 -15.519 7.069 -0.458 586 HE3 TRP 83 HE3 TRP 83 -13.554 8.838 -5.072 587 HZ2 TRP 83 HZ2 TRP 83 -16.646 9.530 -1.253 588 HZ3 TRP 83 HZ3 TRP 83 -14.974 10.814 -4.947 589 HH2 TRP 83 HH2 TRP 83 -16.488 11.155 -3.083 590 H ASN 84 H ASN 84 -9.997 5.166 -2.595 591 HA ASN 84 HA ASN 84 -8.172 5.466 -4.711 592 HB2 ASN 84 2HB ASN 84 -7.728 6.202 -2.387 593 HB3 ASN 84 1HB ASN 84 -7.693 4.527 -1.861 594 HD21 ASN 84 1HD2 ASN 84 -5.602 4.770 -1.062 595 HD22 ASN 84 2HD2 ASN 84 -4.238 4.817 -2.133 596 H GLN 85 H GLN 85 -8.910 2.680 -2.639 597 HA GLN 85 HA GLN 85 -7.227 0.907 -4.067 598 HB2 GLN 85 2HB GLN 85 -9.442 0.323 -2.113 599 HB3 GLN 85 1HB GLN 85 -8.347 -0.887 -2.764 600 HG2 GLN 85 2HG GLN 85 -6.452 0.333 -1.773 601 HG3 GLN 85 1HG GLN 85 -7.590 1.482 -1.072 602 HE21 GLN 85 1HE2 GLN 85 -6.339 -1.741 -0.952 603 HE22 GLN 85 2HE2 GLN 85 -7.037 -2.147 0.581 604 H LEU 86 H LEU 86 -10.400 2.041 -4.696 605 HA LEU 86 HA LEU 86 -11.253 -0.166 -6.233 606 HB2 LEU 86 2HB LEU 86 -12.194 2.721 -6.407 607 HB3 LEU 86 1HB LEU 86 -12.959 1.379 -7.200 608 HG LEU 86 HG LEU 86 -12.729 1.793 -4.228 609 HD11 LEU 86 1HD1 LEU 86 -15.085 1.971 -4.251 610 HD12 LEU 86 2HD1 LEU 86 -15.105 1.643 -5.993 611 HD13 LEU 86 3HD1 LEU 86 -14.387 3.144 -5.383 612 HD21 LEU 86 1HD2 LEU 86 -14.091 -0.208 -3.974 613 HD22 LEU 86 2HD2 LEU 86 -12.519 -0.582 -4.666 614 HD23 LEU 86 3HD2 LEU 86 -13.955 -0.540 -5.702 615 H MET 87 H MET 87 -9.020 2.342 -6.840 616 HA MET 87 HA MET 87 -9.005 1.861 -9.687 617 HB2 MET 87 2HB MET 87 -7.032 3.393 -7.979 618 HB3 MET 87 1HB MET 87 -6.898 3.215 -9.721 619 HG2 MET 87 2HG MET 87 -9.130 4.316 -9.915 620 HG3 MET 87 1HG MET 87 -9.038 4.646 -8.185 621 HE1 MET 87 HE1 MET 87 -9.317 7.341 -8.730 622 HE2 MET 87 HE2 MET 87 -9.517 6.712 -10.347 623 HE3 MET 87 HE3 MET 87 -8.421 8.099 -10.049 624 H LEU 88 H LEU 88 -7.107 0.860 -6.891 625 HA LEU 88 HA LEU 88 -5.286 -0.624 -8.509 626 HB2 LEU 88 2HB LEU 88 -5.682 -0.698 -5.523 627 HB3 LEU 88 1HB LEU 88 -4.542 -1.735 -6.349 628 HG LEU 88 HG LEU 88 -3.204 -0.002 -5.556 629 HD11 LEU 88 1HD1 LEU 88 -2.383 1.184 -7.400 630 HD12 LEU 88 2HD1 LEU 88 -3.846 0.872 -8.323 631 HD13 LEU 88 3HD1 LEU 88 -2.786 -0.468 -7.869 632 HD21 LEU 88 1HD2 LEU 88 -4.981 1.493 -4.801 633 HD22 LEU 88 2HD2 LEU 88 -5.304 1.960 -6.469 634 HD23 LEU 88 3HD2 LEU 88 -3.762 2.377 -5.720 635 H SER 89 H SER 89 -8.330 -1.425 -7.094 636 HA SER 89 HA SER 89 -7.901 -4.236 -7.518 637 HB2 SER 89 2HB SER 89 -10.390 -4.349 -6.970 638 HB3 SER 89 1HB SER 89 -9.350 -3.671 -5.715 639 HG SER 89 HG SER 89 -10.149 -1.726 -6.062 640 H ARG 90 H ARG 90 -7.997 -1.957 -9.702 641 HA ARG 90 HA ARG 90 -9.322 -3.522 -11.709 642 HB2 ARG 90 2HB ARG 90 -10.599 -1.608 -11.366 643 HB3 ARG 90 1HB ARG 90 -9.218 -0.637 -10.936 644 HG2 ARG 90 2HG ARG 90 -9.603 -1.597 -13.703 645 HG3 ARG 90 1HG ARG 90 -10.514 -0.202 -13.037 646 HD2 ARG 90 2HD ARG 90 -8.388 0.889 -12.485 647 HD3 ARG 90 1HD ARG 90 -7.512 -0.484 -13.139 648 HE ARG 90 HE ARG 90 -9.278 1.012 -14.917 649 HH11 ARG 90 1HH1 ARG 90 -5.996 0.108 -13.954 650 HH12 ARG 90 2HH1 ARG 90 -5.221 0.831 -15.271 651 HH21 ARG 90 1HH2 ARG 90 -8.249 2.081 -16.731 652 HH22 ARG 90 2HH2 ARG 90 -6.571 2.002 -16.933 653 H SER 91 H SER 91 -6.372 -2.870 -10.348 654 HA SER 91 HA SER 91 -4.923 -2.731 -12.876 655 HB2 SER 91 2HB SER 91 -4.401 -0.878 -10.524 656 HB3 SER 91 1HB SER 91 -3.554 -0.883 -12.066 657 HG SER 91 HG SER 91 -6.122 -0.050 -11.406 658 HA PRO 92 HA PRO 92 -2.095 -5.191 -10.231 659 HB2 PRO 92 2HB PRO 92 0.338 -3.799 -11.043 660 HB3 PRO 92 1HB PRO 92 -0.197 -5.421 -11.517 661 HG2 PRO 92 2HG PRO 92 -0.072 -3.388 -13.271 662 HG3 PRO 92 1HG PRO 92 -1.260 -4.701 -13.392 663 HD2 PRO 92 2HD PRO 92 -1.629 -1.935 -12.325 664 HD3 PRO 92 1HD PRO 92 -2.698 -2.891 -13.378 665 H GLU 93 H GLU 93 -0.802 -5.048 -8.277 666 HA GLU 93 HA GLU 93 -0.472 -2.400 -7.157 667 HB2 GLU 93 2HB GLU 93 -2.537 -3.417 -6.230 668 HB3 GLU 93 1HB GLU 93 -1.648 -4.873 -5.827 669 HG2 GLU 93 2HG GLU 93 -1.980 -3.653 -3.817 670 HG3 GLU 93 1HG GLU 93 -0.281 -3.516 -4.241 Start of MODEL 17 1 H ASP 14 1H ASP 14 0.092 -2.373 -5.632 2 HA ASP 14 HA ASP 14 2.001 -0.397 -4.638 3 HB2 ASP 14 2HB ASP 14 2.226 0.042 -7.043 4 HB3 ASP 14 1HB ASP 14 2.533 -1.670 -6.745 5 H ASN 15 H ASN 15 1.002 1.545 -6.482 6 HA ASN 15 HA ASN 15 -1.846 1.808 -5.913 7 HB2 ASN 15 2HB ASN 15 -1.556 4.095 -5.055 8 HB3 ASN 15 1HB ASN 15 -0.689 2.954 -4.039 9 HD21 ASN 15 1HD2 ASN 15 -0.314 5.854 -4.445 10 HD22 ASN 15 2HD2 ASN 15 1.334 6.025 -4.934 11 H ARG 16 H ARG 16 -0.233 1.259 -8.337 12 HA ARG 16 HA ARG 16 0.374 3.593 -9.706 13 HB2 ARG 16 2HB ARG 16 1.346 2.235 -11.191 14 HB3 ARG 16 1HB ARG 16 0.866 0.936 -10.130 15 HG2 ARG 16 2HG ARG 16 -0.605 1.903 -12.549 16 HG3 ARG 16 1HG ARG 16 0.413 0.462 -12.480 17 HD2 ARG 16 2HD ARG 16 -2.056 1.002 -10.917 18 HD3 ARG 16 1HD ARG 16 -2.026 -0.043 -12.348 19 HE ARG 16 HE ARG 16 -0.448 -0.684 -9.934 20 HH11 ARG 16 1HH1 ARG 16 -3.113 -1.564 -12.131 21 HH12 ARG 16 2HH1 ARG 16 -3.406 -3.074 -11.418 22 HH21 ARG 16 1HH2 ARG 16 -0.844 -2.707 -8.923 23 HH22 ARG 16 2HH2 ARG 16 -2.035 -3.775 -9.519 24 H HIS 17 H HIS 17 -2.759 2.080 -9.639 25 HA HIS 17 HA HIS 17 -3.788 3.840 -11.712 26 HB2 HIS 17 2HB HIS 17 -5.251 2.103 -9.696 27 HB3 HIS 17 1HB HIS 17 -6.063 3.091 -10.894 28 HD1 HIS 17 HD1 HIS 17 -6.646 0.098 -10.945 29 HD2 HIS 17 HD2 HIS 17 -3.552 1.871 -13.087 30 HE1 HIS 17 HE1 HIS 17 -6.031 -1.515 -12.747 31 H ALA 18 H ALA 18 -3.720 3.683 -8.287 32 HA ALA 18 HA ALA 18 -5.554 5.742 -7.804 33 HB1 ALA 18 1HB ALA 18 -3.619 4.494 -5.884 34 HB2 ALA 18 2HB ALA 18 -5.210 3.867 -6.354 35 HB3 ALA 18 3HB ALA 18 -5.096 5.410 -5.500 36 H ALA 19 H ALA 19 -2.301 5.853 -8.614 37 HA ALA 19 HA ALA 19 -1.477 8.262 -7.415 38 HB1 ALA 19 1HB ALA 19 0.144 8.422 -9.222 39 HB2 ALA 19 2HB ALA 19 -0.757 7.235 -10.165 40 HB3 ALA 19 3HB ALA 19 0.037 6.752 -8.666 41 H ASP 20 H ASP 20 -3.652 7.735 -10.153 42 HA ASP 20 HA ASP 20 -3.722 10.570 -10.693 43 HB2 ASP 20 2HB ASP 20 -4.071 9.028 -12.556 44 HB3 ASP 20 1HB ASP 20 -5.458 8.324 -11.732 45 H TYR 21 H TYR 21 -5.423 8.258 -8.804 46 HA TYR 21 HA TYR 21 -7.763 9.671 -8.117 47 HB2 TYR 21 2HB TYR 21 -7.435 7.340 -7.384 48 HB3 TYR 21 1HB TYR 21 -6.106 7.842 -6.347 49 HD1 TYR 21 HD1 TYR 21 -6.531 8.784 -4.136 50 HD2 TYR 21 HD2 TYR 21 -9.747 8.023 -6.830 51 HE1 TYR 21 HE1 TYR 21 -8.130 9.155 -2.342 52 HE2 TYR 21 HE2 TYR 21 -11.334 8.419 -5.035 53 HH TYR 21 HH TYR 21 -11.417 8.376 -2.568 54 H GLN 22 H GLN 22 -4.504 10.066 -7.231 55 HA GLN 22 HA GLN 22 -4.727 11.575 -4.908 56 HB2 GLN 22 2HB GLN 22 -2.646 10.582 -5.914 57 HB3 GLN 22 1HB GLN 22 -2.647 11.915 -7.061 58 HG2 GLN 22 2HG GLN 22 -1.142 12.429 -5.302 59 HG3 GLN 22 1HG GLN 22 -2.580 13.462 -5.173 60 HE21 GLN 22 1HE2 GLN 22 -2.366 13.872 -3.099 61 HE22 GLN 22 2HE2 GLN 22 -2.549 12.767 -1.802 62 H GLN 23 H GLN 23 -5.029 12.455 -8.305 63 HA GLN 23 HA GLN 23 -5.112 15.291 -7.976 64 HB2 GLN 23 2HB GLN 23 -6.425 13.602 -10.124 65 HB3 GLN 23 1HB GLN 23 -6.167 15.337 -10.209 66 HG2 GLN 23 2HG GLN 23 -4.021 13.228 -10.107 67 HG3 GLN 23 1HG GLN 23 -4.534 14.118 -11.538 68 HE21 GLN 23 1HE2 GLN 23 -1.949 13.947 -10.240 69 HE22 GLN 23 2HE2 GLN 23 -1.500 15.582 -9.858 70 H LEU 24 H LEU 24 -7.522 12.766 -7.887 71 HA LEU 24 HA LEU 24 -9.810 14.422 -7.559 72 HB2 LEU 24 2HB LEU 24 -10.171 12.163 -8.288 73 HB3 LEU 24 1HB LEU 24 -9.328 11.440 -6.951 74 HG LEU 24 HG LEU 24 -11.996 12.872 -6.706 75 HD11 LEU 24 1HD1 LEU 24 -12.963 10.635 -6.685 76 HD12 LEU 24 2HD1 LEU 24 -11.377 9.945 -7.023 77 HD13 LEU 24 3HD1 LEU 24 -12.164 10.977 -8.219 78 HD21 LEU 24 1HD2 LEU 24 -10.787 12.620 -4.552 79 HD22 LEU 24 2HD2 LEU 24 -10.608 10.902 -4.847 80 HD23 LEU 24 3HD2 LEU 24 -12.209 11.585 -4.618 81 H ARG 25 H ARG 25 -7.369 13.243 -5.474 82 HA ARG 25 HA ARG 25 -8.888 13.551 -3.073 83 HB2 ARG 25 2HB ARG 25 -7.381 11.739 -3.221 84 HB3 ARG 25 1HB ARG 25 -6.049 12.814 -3.609 85 HG2 ARG 25 2HG ARG 25 -5.734 13.431 -1.470 86 HG3 ARG 25 1HG ARG 25 -7.450 13.284 -1.060 87 HD2 ARG 25 2HD ARG 25 -6.181 11.572 0.013 88 HD3 ARG 25 1HD ARG 25 -7.332 10.989 -1.213 89 HE ARG 25 HE ARG 25 -4.619 11.332 -2.165 90 HH11 ARG 25 1HH1 ARG 25 -6.802 8.986 -0.661 91 HH12 ARG 25 2HH1 ARG 25 -6.073 7.621 -1.402 92 HH21 ARG 25 1HH2 ARG 25 -3.613 9.465 -3.120 93 HH22 ARG 25 2HH2 ARG 25 -4.249 7.889 -2.866 94 H GLU 26 H GLU 26 -6.107 15.134 -4.547 95 HA GLU 26 HA GLU 26 -5.812 17.088 -2.656 96 HB2 GLU 26 2HB GLU 26 -5.041 16.678 -5.430 97 HB3 GLU 26 1HB GLU 26 -5.216 18.372 -5.019 98 HG2 GLU 26 2HG GLU 26 -2.913 17.633 -4.685 99 HG3 GLU 26 1HG GLU 26 -3.643 18.066 -3.146 100 H ARG 27 H ARG 27 -7.935 17.027 -5.475 101 HA ARG 27 HA ARG 27 -9.136 19.517 -4.917 102 HB2 ARG 27 2HB ARG 27 -10.125 17.146 -6.432 103 HB3 ARG 27 1HB ARG 27 -11.177 18.515 -6.118 104 HG2 ARG 27 2HG ARG 27 -9.376 19.930 -7.225 105 HG3 ARG 27 1HG ARG 27 -8.684 18.398 -7.776 106 HD2 ARG 27 2HD ARG 27 -10.207 19.367 -9.456 107 HD3 ARG 27 1HD ARG 27 -10.779 17.810 -8.858 108 HE ARG 27 HE ARG 27 -12.055 19.565 -7.222 109 HH11 ARG 27 1HH1 ARG 27 -11.910 19.421 -10.742 110 HH12 ARG 27 2HH1 ARG 27 -13.471 20.081 -10.960 111 HH21 ARG 27 1HH2 ARG 27 -14.032 20.384 -7.446 112 HH22 ARG 27 2HH2 ARG 27 -14.794 20.689 -8.948 113 H LEU 28 H LEU 28 -9.963 16.221 -3.868 114 HA LEU 28 HA LEU 28 -12.381 16.641 -2.710 115 HB2 LEU 28 2HB LEU 28 -10.763 14.494 -2.999 116 HB3 LEU 28 1HB LEU 28 -10.450 14.742 -1.334 117 HG LEU 28 HG LEU 28 -13.181 14.444 -2.514 118 HD11 LEU 28 1HD1 LEU 28 -13.144 12.183 -1.547 119 HD12 LEU 28 2HD1 LEU 28 -11.468 12.443 -1.065 120 HD13 LEU 28 3HD1 LEU 28 -11.896 12.405 -2.771 121 HD21 LEU 28 1HD2 LEU 28 -13.241 15.643 -0.409 122 HD22 LEU 28 2HD2 LEU 28 -12.281 14.380 0.362 123 HD23 LEU 28 3HD2 LEU 28 -13.914 14.026 -0.203 124 H ILE 29 H ILE 29 -9.225 17.306 -1.382 125 HA ILE 29 HA ILE 29 -10.149 17.941 1.195 126 HB ILE 29 HB ILE 29 -7.535 18.601 -0.202 127 HG12 ILE 29 2HG1 ILE 29 -8.377 16.595 1.869 128 HG13 ILE 29 1HG1 ILE 29 -8.036 16.253 0.183 129 HG21 ILE 29 1HG2 ILE 29 -6.632 19.188 2.005 130 HG22 ILE 29 2HG2 ILE 29 -8.225 18.975 2.725 131 HG23 ILE 29 3HG2 ILE 29 -7.948 20.281 1.572 132 HD11 ILE 29 1HD1 ILE 29 -5.689 16.745 0.571 133 HD12 ILE 29 2HD1 ILE 29 -6.337 15.530 1.706 134 HD13 ILE 29 3HD1 ILE 29 -6.071 17.182 2.250 135 H GLN 30 H GLN 30 -9.764 19.926 -1.696 136 HA GLN 30 HA GLN 30 -10.468 22.291 -0.208 137 HB2 GLN 30 2HB GLN 30 -10.138 21.884 -3.173 138 HB3 GLN 30 1HB GLN 30 -10.709 23.389 -2.481 139 HG2 GLN 30 2HG GLN 30 -8.474 23.799 -2.803 140 HG3 GLN 30 1HG GLN 30 -8.526 23.328 -1.117 141 HE21 GLN 30 1HE2 GLN 30 -7.564 21.386 -0.481 142 HE22 GLN 30 2HE2 GLN 30 -6.589 20.468 -1.589 143 H GLU 31 H GLU 31 -12.084 19.926 -2.174 144 HA GLU 31 HA GLU 31 -14.444 21.096 -2.901 145 HB2 GLU 31 2HB GLU 31 -14.039 18.290 -1.912 146 HB3 GLU 31 1HB GLU 31 -15.510 18.893 -2.662 147 HG2 GLU 31 2HG GLU 31 -12.801 18.730 -3.966 148 HG3 GLU 31 1HG GLU 31 -14.164 17.644 -4.230 149 H LEU 32 H LEU 32 -14.016 19.367 0.247 150 HA LEU 32 HA LEU 32 -16.458 20.756 1.088 151 HB2 LEU 32 2HB LEU 32 -14.978 18.507 2.433 152 HB3 LEU 32 1HB LEU 32 -16.497 19.195 2.957 153 HG LEU 32 HG LEU 32 -16.002 17.641 0.434 154 HD11 LEU 32 1HD1 LEU 32 -17.402 16.956 3.003 155 HD12 LEU 32 2HD1 LEU 32 -15.874 16.288 2.433 156 HD13 LEU 32 3HD1 LEU 32 -17.367 15.949 1.563 157 HD21 LEU 32 1HD2 LEU 32 -18.568 18.748 1.591 158 HD22 LEU 32 2HD2 LEU 32 -18.448 17.677 0.196 159 HD23 LEU 32 3HD2 LEU 32 -17.774 19.304 0.115 160 H ASN 33 H ASN 33 -13.536 21.755 0.956 161 HA ASN 33 HA ASN 33 -12.071 23.052 2.135 162 HB2 ASN 33 2HB ASN 33 -14.160 24.468 2.284 163 HB3 ASN 33 1HB ASN 33 -14.526 23.710 3.823 164 HD21 ASN 33 1HD2 ASN 33 -11.259 24.631 2.865 165 HD22 ASN 33 2HD2 ASN 33 -11.122 25.905 4.033 166 H LEU 34 H LEU 34 -11.823 20.538 2.729 167 HA LEU 34 HA LEU 34 -12.148 19.937 5.515 168 HB2 LEU 34 2HB LEU 34 -10.853 18.368 3.287 169 HB3 LEU 34 1HB LEU 34 -11.167 17.778 4.911 170 HG LEU 34 HG LEU 34 -13.314 18.811 3.176 171 HD11 LEU 34 1HD1 LEU 34 -12.254 16.920 1.953 172 HD12 LEU 34 2HD1 LEU 34 -13.841 16.427 2.508 173 HD13 LEU 34 3HD1 LEU 34 -12.405 15.908 3.384 174 HD21 LEU 34 1HD2 LEU 34 -13.902 18.621 5.487 175 HD22 LEU 34 2HD2 LEU 34 -13.345 16.947 5.532 176 HD23 LEU 34 3HD2 LEU 34 -14.762 17.380 4.575 177 H THR 35 H THR 35 -10.725 20.131 6.983 178 HA THR 35 HA THR 35 -8.112 21.246 6.485 179 HB THR 35 HB THR 35 -9.271 20.107 9.057 180 HG1 THR 35 1HG THR 35 -10.257 22.075 7.585 181 HG21 THR 35 1HG2 THR 35 -6.890 20.728 9.163 182 HG22 THR 35 2HG2 THR 35 -7.871 21.821 10.142 183 HG23 THR 35 3HG2 THR 35 -7.283 22.339 8.561 184 HA PRO 36 HA PRO 36 -6.109 17.142 6.042 185 HB2 PRO 36 2HB PRO 36 -3.916 18.281 7.713 186 HB3 PRO 36 1HB PRO 36 -3.815 17.524 6.109 187 HG2 PRO 36 2HG PRO 36 -3.549 20.127 6.328 188 HG3 PRO 36 1HG PRO 36 -4.484 19.422 4.992 189 HD2 PRO 36 2HD PRO 36 -5.473 20.778 7.459 190 HD3 PRO 36 1HD PRO 36 -6.094 20.848 5.796 191 H GLN 37 H GLN 37 -6.234 18.685 9.186 192 HA GLN 37 HA GLN 37 -5.934 16.239 10.633 193 HB2 GLN 37 2HB GLN 37 -6.947 18.939 11.574 194 HB3 GLN 37 1HB GLN 37 -6.662 17.570 12.629 195 HG2 GLN 37 2HG GLN 37 -4.759 18.835 12.947 196 HG3 GLN 37 1HG GLN 37 -4.229 17.689 11.729 197 HE21 GLN 37 1HE2 GLN 37 -3.171 20.286 12.416 198 HE22 GLN 37 2HE2 GLN 37 -3.226 21.241 10.974 199 H GLN 38 H GLN 38 -8.475 17.595 8.905 200 HA GLN 38 HA GLN 38 -10.574 16.321 10.445 201 HB2 GLN 38 2HB GLN 38 -10.908 18.644 9.619 202 HB3 GLN 38 1HB GLN 38 -10.610 18.091 7.984 203 HG2 GLN 38 2HG GLN 38 -12.553 16.745 8.036 204 HG3 GLN 38 1HG GLN 38 -12.892 17.252 9.702 205 HE21 GLN 38 1HE2 GLN 38 -14.884 18.221 9.041 206 HE22 GLN 38 2HE2 GLN 38 -14.877 19.715 8.167 207 H LEU 39 H LEU 39 -9.071 16.413 7.220 208 HA LEU 39 HA LEU 39 -10.417 13.919 6.580 209 HB2 LEU 39 2HB LEU 39 -10.173 16.010 4.964 210 HB3 LEU 39 1HB LEU 39 -8.599 15.323 4.638 211 HG LEU 39 HG LEU 39 -11.320 14.262 3.961 212 HD11 LEU 39 1HD1 LEU 39 -8.840 14.684 2.336 213 HD12 LEU 39 2HD1 LEU 39 -10.310 15.661 2.332 214 HD13 LEU 39 3HD1 LEU 39 -10.352 13.999 1.743 215 HD21 LEU 39 1HD2 LEU 39 -10.169 12.371 4.981 216 HD22 LEU 39 2HD2 LEU 39 -8.802 12.618 3.904 217 HD23 LEU 39 3HD2 LEU 39 -10.363 12.131 3.247 218 H HIS 40 H HIS 40 -9.050 12.975 8.240 219 HA HIS 40 HA HIS 40 -6.364 12.367 7.470 220 HB2 HIS 40 2HB HIS 40 -6.378 10.662 9.274 221 HB3 HIS 40 1HB HIS 40 -6.991 12.190 9.873 222 HD1 HIS 40 HD1 HIS 40 -7.839 8.625 9.507 223 HD2 HIS 40 HD2 HIS 40 -9.827 12.175 10.372 224 HE1 HIS 40 HE1 HIS 40 -10.041 7.968 10.557 225 H GLU 41 H GLU 41 -5.832 9.919 7.084 226 HA GLU 41 HA GLU 41 -6.562 9.427 4.507 227 HB2 GLU 41 2HB GLU 41 -5.523 7.231 4.690 228 HB3 GLU 41 1HB GLU 41 -4.589 8.421 5.567 229 HG2 GLU 41 2HG GLU 41 -6.335 6.232 6.702 230 HG3 GLU 41 1HG GLU 41 -4.589 6.406 6.846 231 H GLU 42 H GLU 42 -8.031 7.756 7.282 232 HA GLU 42 HA GLU 42 -10.079 6.837 5.450 233 HB2 GLU 42 2HB GLU 42 -9.124 5.664 8.035 234 HB3 GLU 42 1HB GLU 42 -10.653 5.177 7.306 235 HG2 GLU 42 2HG GLU 42 -7.934 4.985 6.012 236 HG3 GLU 42 1HG GLU 42 -8.878 3.644 6.666 237 H SER 43 H SER 43 -10.030 9.481 6.639 238 HA SER 43 HA SER 43 -12.074 9.748 8.541 239 HB2 SER 43 2HB SER 43 -10.546 11.606 7.744 240 HB3 SER 43 1HB SER 43 -11.492 11.638 6.255 241 HG SER 43 HG SER 43 -11.977 13.021 8.337 242 H ASN 44 H ASN 44 -14.225 9.724 8.359 243 HA ASN 44 HA ASN 44 -15.338 8.365 6.099 244 HB2 ASN 44 2HB ASN 44 -16.542 9.366 8.660 245 HB3 ASN 44 1HB ASN 44 -17.549 8.750 7.361 246 HD21 ASN 44 1HD2 ASN 44 -14.361 7.349 8.019 247 HD22 ASN 44 2HD2 ASN 44 -14.990 5.891 8.665 248 H LEU 45 H LEU 45 -15.394 9.475 4.364 249 HA LEU 45 HA LEU 45 -15.694 12.207 4.102 250 HB2 LEU 45 2HB LEU 45 -16.205 10.048 2.084 251 HB3 LEU 45 1HB LEU 45 -16.237 11.753 1.691 252 HG LEU 45 HG LEU 45 -13.777 10.193 2.629 253 HD11 LEU 45 1HD1 LEU 45 -14.416 9.695 0.418 254 HD12 LEU 45 2HD1 LEU 45 -12.950 10.682 0.470 255 HD13 LEU 45 3HD1 LEU 45 -14.495 11.414 0.029 256 HD21 LEU 45 1HD2 LEU 45 -14.093 13.136 1.922 257 HD22 LEU 45 2HD2 LEU 45 -12.583 12.294 2.215 258 HD23 LEU 45 3HD2 LEU 45 -13.735 12.494 3.528 259 H ILE 46 H ILE 46 -18.281 9.804 4.040 260 HA ILE 46 HA ILE 46 -20.314 11.621 3.253 261 HB ILE 46 HB ILE 46 -20.565 9.089 4.913 262 HG12 ILE 46 2HG1 ILE 46 -19.715 8.686 2.671 263 HG13 ILE 46 1HG1 ILE 46 -21.338 8.030 2.840 264 HG21 ILE 46 1HG2 ILE 46 -22.780 10.663 3.604 265 HG22 ILE 46 2HG2 ILE 46 -22.505 10.486 5.337 266 HG23 ILE 46 3HG2 ILE 46 -22.959 9.082 4.368 267 HD11 ILE 46 1HD1 ILE 46 -22.200 10.005 1.648 268 HD12 ILE 46 2HD1 ILE 46 -21.076 9.037 0.697 269 HD13 ILE 46 3HD1 ILE 46 -20.534 10.557 1.418 270 H GLN 47 H GLN 47 -18.862 10.939 6.349 271 HA GLN 47 HA GLN 47 -20.835 12.523 7.753 272 HB2 GLN 47 2HB GLN 47 -18.398 11.043 8.768 273 HB3 GLN 47 1HB GLN 47 -19.496 11.955 9.795 274 HG2 GLN 47 2HG GLN 47 -21.344 10.470 9.044 275 HG3 GLN 47 1HG GLN 47 -20.158 9.512 8.162 276 HE21 GLN 47 1HE2 GLN 47 -18.747 8.129 9.338 277 HE22 GLN 47 2HE2 GLN 47 -19.029 7.840 11.008 278 H ALA 48 H ALA 48 -17.983 12.992 6.106 279 HA ALA 48 HA ALA 48 -17.231 15.412 7.498 280 HB1 ALA 48 1HB ALA 48 -15.490 14.004 6.461 281 HB2 ALA 48 2HB ALA 48 -15.514 15.618 5.752 282 HB3 ALA 48 3HB ALA 48 -16.230 14.262 4.881 283 H GLY 49 H GLY 49 -19.454 14.414 5.206 284 HA2 GLY 49 2HA GLY 49 -21.225 15.863 4.675 285 HA3 GLY 49 1HA GLY 49 -20.092 17.208 4.610 286 H LEU 50 H LEU 50 -19.235 14.198 3.009 287 HA LEU 50 HA LEU 50 -19.189 15.379 0.357 288 HB2 LEU 50 2HB LEU 50 -18.020 13.215 1.634 289 HB3 LEU 50 1HB LEU 50 -19.321 12.469 0.739 290 HG LEU 50 HG LEU 50 -17.277 12.290 -0.421 291 HD11 LEU 50 1HD1 LEU 50 -19.098 14.247 -1.800 292 HD12 LEU 50 2HD1 LEU 50 -19.263 12.493 -1.782 293 HD13 LEU 50 3HD1 LEU 50 -17.892 13.243 -2.603 294 HD21 LEU 50 1HD2 LEU 50 -16.053 14.187 -1.342 295 HD22 LEU 50 2HD2 LEU 50 -16.065 14.269 0.426 296 HD23 LEU 50 3HD2 LEU 50 -17.126 15.301 -0.517 297 H ASP 51 H ASP 51 -21.002 16.155 -0.195 298 HA ASP 51 HA ASP 51 -23.507 14.956 0.100 299 HB2 ASP 51 2HB ASP 51 -24.265 16.610 -1.509 300 HB3 ASP 51 1HB ASP 51 -23.129 17.370 -0.397 301 H SER 52 H SER 52 -24.773 13.986 -1.563 302 HA SER 52 HA SER 52 -23.214 12.045 -2.857 303 HB2 SER 52 2HB SER 52 -26.186 12.429 -2.992 304 HB3 SER 52 1HB SER 52 -25.226 11.028 -3.535 305 HG SER 52 HG SER 52 -24.508 11.635 -1.052 306 H ILE 53 H ILE 53 -24.181 15.145 -3.969 307 HA ILE 53 HA ILE 53 -24.330 14.269 -6.692 308 HB ILE 53 HB ILE 53 -23.837 17.096 -5.710 309 HG12 ILE 53 2HG1 ILE 53 -26.050 16.285 -4.968 310 HG13 ILE 53 1HG1 ILE 53 -26.229 17.502 -6.223 311 HG21 ILE 53 1HG2 ILE 53 -24.322 17.779 -8.024 312 HG22 ILE 53 2HG2 ILE 53 -24.734 16.119 -8.435 313 HG23 ILE 53 3HG2 ILE 53 -23.080 16.507 -8.087 314 HD11 ILE 53 1HD1 ILE 53 -26.645 15.721 -7.866 315 HD12 ILE 53 2HD1 ILE 53 -27.807 15.693 -6.541 316 HD13 ILE 53 3HD1 ILE 53 -26.495 14.518 -6.583 317 H ARG 54 H ARG 54 -21.955 15.873 -4.560 318 HA ARG 54 HA ARG 54 -19.910 15.951 -6.462 319 HB2 ARG 54 2HB ARG 54 -19.808 17.318 -4.524 320 HB3 ARG 54 1HB ARG 54 -20.008 15.939 -3.469 321 HG2 ARG 54 2HG ARG 54 -17.796 15.177 -3.944 322 HG3 ARG 54 1HG ARG 54 -17.591 16.426 -5.179 323 HD2 ARG 54 2HD ARG 54 -18.287 17.131 -2.358 324 HD3 ARG 54 1HD ARG 54 -16.615 16.850 -2.844 325 HE ARG 54 HE ARG 54 -16.777 18.694 -4.346 326 HH11 ARG 54 1HH1 ARG 54 -19.830 18.540 -2.423 327 HH12 ARG 54 2HH1 ARG 54 -19.939 20.202 -2.329 328 HH21 ARG 54 1HH2 ARG 54 -16.977 20.826 -4.248 329 HH22 ARG 54 2HH2 ARG 54 -18.242 21.637 -3.402 330 H LEU 55 H LEU 55 -20.990 13.585 -4.183 331 HA LEU 55 HA LEU 55 -18.987 11.688 -4.325 332 HB2 LEU 55 2HB LEU 55 -21.194 11.769 -2.885 333 HB3 LEU 55 1HB LEU 55 -21.910 11.072 -4.288 334 HG LEU 55 HG LEU 55 -20.794 9.008 -4.050 335 HD11 LEU 55 1HD1 LEU 55 -19.078 8.627 -2.368 336 HD12 LEU 55 2HD1 LEU 55 -19.140 10.325 -1.890 337 HD13 LEU 55 3HD1 LEU 55 -18.544 9.885 -3.483 338 HD21 LEU 55 1HD2 LEU 55 -21.496 10.047 -1.329 339 HD22 LEU 55 2HD2 LEU 55 -21.427 8.349 -1.812 340 HD23 LEU 55 3HD2 LEU 55 -22.647 9.421 -2.512 341 H MET 56 H MET 56 -21.894 12.041 -6.350 342 HA MET 56 HA MET 56 -20.950 9.981 -8.122 343 HB2 MET 56 2HB MET 56 -22.941 10.352 -9.473 344 HB3 MET 56 1HB MET 56 -23.337 10.152 -7.772 345 HG2 MET 56 2HG MET 56 -23.688 12.495 -7.524 346 HG3 MET 56 1HG MET 56 -23.140 12.796 -9.171 347 HE1 MET 56 HE1 MET 56 -26.954 10.418 -8.132 348 HE2 MET 56 HE2 MET 56 -25.837 11.072 -6.926 349 HE3 MET 56 HE3 MET 56 -25.315 9.776 -7.989 350 H ARG 57 H ARG 57 -20.548 13.371 -7.917 351 HA ARG 57 HA ARG 57 -20.178 13.907 -10.573 352 HB2 ARG 57 2HB ARG 57 -18.779 15.176 -8.214 353 HB3 ARG 57 1HB ARG 57 -18.497 15.711 -9.855 354 HG2 ARG 57 2HG ARG 57 -21.046 15.845 -8.281 355 HG3 ARG 57 1HG ARG 57 -20.060 17.203 -8.830 356 HD2 ARG 57 2HD ARG 57 -21.796 17.224 -10.372 357 HD3 ARG 57 1HD ARG 57 -20.615 16.221 -11.211 358 HE ARG 57 HE ARG 57 -22.474 14.801 -9.544 359 HH11 ARG 57 1HH1 ARG 57 -21.764 15.879 -12.851 360 HH12 ARG 57 2HH1 ARG 57 -22.958 14.930 -13.602 361 HH21 ARG 57 1HH2 ARG 57 -24.228 13.479 -10.608 362 HH22 ARG 57 2HH2 ARG 57 -24.391 13.547 -12.283 363 H TRP 58 H TRP 58 -18.104 12.682 -8.010 364 HA TRP 58 HA TRP 58 -15.702 12.427 -9.392 365 HB2 TRP 58 2HB TRP 58 -16.774 10.939 -7.011 366 HB3 TRP 58 1HB TRP 58 -15.157 10.690 -7.648 367 HD1 TRP 58 HD1 TRP 58 -16.564 12.298 -4.840 368 HE1 TRP 58 HE1 TRP 58 -15.241 14.280 -4.063 369 HE3 TRP 58 HE3 TRP 58 -13.864 13.183 -9.131 370 HZ2 TRP 58 HZ2 TRP 58 -13.252 16.074 -5.133 371 HZ3 TRP 58 HZ3 TRP 58 -12.305 15.068 -9.151 372 HH2 TRP 58 HH2 TRP 58 -12.016 16.485 -7.195 373 H LEU 59 H LEU 59 -18.438 10.258 -9.112 374 HA LEU 59 HA LEU 59 -17.325 7.987 -10.354 375 HB2 LEU 59 2HB LEU 59 -19.533 7.995 -9.232 376 HB3 LEU 59 1HB LEU 59 -20.170 8.990 -10.527 377 HG LEU 59 HG LEU 59 -19.763 7.163 -12.108 378 HD11 LEU 59 1HD1 LEU 59 -19.055 5.574 -9.643 379 HD12 LEU 59 2HD1 LEU 59 -17.969 5.991 -10.970 380 HD13 LEU 59 3HD1 LEU 59 -19.322 4.899 -11.249 381 HD21 LEU 59 1HD2 LEU 59 -21.607 5.738 -11.353 382 HD22 LEU 59 2HD2 LEU 59 -21.958 7.451 -11.126 383 HD23 LEU 59 3HD2 LEU 59 -21.496 6.455 -9.745 384 H HIS 60 H HIS 60 -18.656 10.912 -11.636 385 HA HIS 60 HA HIS 60 -18.600 10.116 -14.376 386 HB2 HIS 60 2HB HIS 60 -18.869 12.814 -13.047 387 HB3 HIS 60 1HB HIS 60 -18.781 12.639 -14.793 388 HD1 HIS 60 HD1 HIS 60 -20.984 11.279 -11.945 389 HD2 HIS 60 HD2 HIS 60 -21.175 12.402 -15.941 390 HE1 HIS 60 HE1 HIS 60 -23.389 11.051 -12.627 391 H TRP 61 H TRP 61 -16.413 11.683 -12.178 392 HA TRP 61 HA TRP 61 -14.425 12.519 -14.003 393 HB2 TRP 61 2HB TRP 61 -14.592 13.419 -11.721 394 HB3 TRP 61 1HB TRP 61 -14.306 11.826 -11.050 395 HD1 TRP 61 HD1 TRP 61 -12.476 14.801 -12.604 396 HE1 TRP 61 HE1 TRP 61 -9.948 14.560 -12.136 397 HE3 TRP 61 HE3 TRP 61 -12.426 10.091 -10.620 398 HZ2 TRP 61 HZ2 TRP 61 -8.193 12.668 -11.073 399 HZ3 TRP 61 HZ3 TRP 61 -10.280 9.147 -9.901 400 HH2 TRP 61 HH2 TRP 61 -8.208 10.408 -10.124 401 H PHE 62 H PHE 62 -14.538 9.720 -11.786 402 HA PHE 62 HA PHE 62 -12.209 8.397 -12.347 403 HB2 PHE 62 2HB PHE 62 -14.917 7.219 -11.775 404 HB3 PHE 62 1HB PHE 62 -13.505 6.212 -12.001 405 HD1 PHE 62 HD1 PHE 62 -15.462 8.051 -9.699 406 HD2 PHE 62 HD2 PHE 62 -11.534 6.637 -10.431 407 HE1 PHE 62 HE1 PHE 62 -14.982 8.210 -7.301 408 HE2 PHE 62 HE2 PHE 62 -11.048 6.787 -8.001 409 HZ PHE 62 HZ PHE 62 -12.766 7.578 -6.455 410 H ARG 63 H ARG 63 -15.232 7.879 -13.999 411 HA ARG 63 HA ARG 63 -14.008 6.005 -15.686 412 HB2 ARG 63 2HB ARG 63 -16.851 6.978 -15.661 413 HB3 ARG 63 1HB ARG 63 -16.260 5.748 -16.788 414 HG2 ARG 63 2HG ARG 63 -15.455 4.439 -14.803 415 HG3 ARG 63 1HG ARG 63 -16.278 5.603 -13.777 416 HD2 ARG 63 2HD ARG 63 -18.416 4.972 -14.743 417 HD3 ARG 63 1HD ARG 63 -17.610 3.869 -15.865 418 HE ARG 63 HE ARG 63 -17.908 3.526 -12.964 419 HH11 ARG 63 1HH1 ARG 63 -16.918 2.096 -16.095 420 HH12 ARG 63 2HH1 ARG 63 -16.709 0.536 -15.387 421 HH21 ARG 63 1HH2 ARG 63 -17.596 1.305 -12.147 422 HH22 ARG 63 2HH2 ARG 63 -17.064 0.083 -13.237 423 H LYS 64 H LYS 64 -14.004 9.319 -15.993 424 HA LYS 64 HA LYS 64 -13.801 9.254 -18.908 425 HB2 LYS 64 2HB LYS 64 -13.056 11.485 -16.991 426 HB3 LYS 64 1HB LYS 64 -13.117 11.615 -18.739 427 HG2 LYS 64 2HG LYS 64 -15.436 11.125 -16.902 428 HG3 LYS 64 1HG LYS 64 -15.045 12.640 -17.711 429 HD2 LYS 64 2HD LYS 64 -15.467 11.644 -19.872 430 HD3 LYS 64 1HD LYS 64 -15.703 10.058 -19.130 431 HE2 LYS 64 2HE LYS 64 -17.401 12.498 -18.640 432 HE3 LYS 64 1HE LYS 64 -17.841 11.121 -19.653 433 HZ1 LYS 64 1HZ LYS 64 -17.738 9.697 -17.724 434 HZ2 LYS 64 2HZ LYS 64 -18.813 10.972 -17.414 435 HZ3 LYS 64 3HZ LYS 64 -17.253 10.979 -16.745 436 H ASN 65 H ASN 65 -11.806 9.292 -16.065 437 HA ASN 65 HA ASN 65 -9.330 9.520 -17.497 438 HB2 ASN 65 2HB ASN 65 -9.952 8.944 -14.585 439 HB3 ASN 65 1HB ASN 65 -8.317 9.074 -15.214 440 HD21 ASN 65 1HD2 ASN 65 -7.884 10.839 -13.808 441 HD22 ASN 65 2HD2 ASN 65 -8.523 12.393 -14.138 442 H GLY 66 H GLY 66 -11.471 7.074 -16.926 443 HA2 GLY 66 2HA GLY 66 -11.184 4.965 -18.031 444 HA3 GLY 66 1HA GLY 66 -9.455 5.099 -17.746 445 H TYR 67 H TYR 67 -10.824 6.042 -14.969 446 HA TYR 67 HA TYR 67 -10.240 3.478 -13.804 447 HB2 TYR 67 2HB TYR 67 -10.870 6.104 -12.489 448 HB3 TYR 67 1HB TYR 67 -10.460 4.616 -11.625 449 HD1 TYR 67 HD1 TYR 67 -8.296 3.431 -12.452 450 HD2 TYR 67 HD2 TYR 67 -9.196 7.508 -13.009 451 HE1 TYR 67 HE1 TYR 67 -5.916 3.866 -12.809 452 HE2 TYR 67 HE2 TYR 67 -6.789 7.991 -13.396 453 HH TYR 67 HH TYR 67 -4.532 5.598 -14.029 454 H ARG 68 H ARG 68 -11.669 2.748 -11.981 455 HA ARG 68 HA ARG 68 -14.420 2.855 -12.951 456 HB2 ARG 68 2HB ARG 68 -12.771 0.351 -13.017 457 HB3 ARG 68 1HB ARG 68 -14.504 0.430 -13.271 458 HG2 ARG 68 2HG ARG 68 -14.166 1.737 -15.295 459 HG3 ARG 68 1HG ARG 68 -12.417 1.732 -15.018 460 HD2 ARG 68 2HD ARG 68 -12.382 -0.668 -15.143 461 HD3 ARG 68 1HD ARG 68 -14.134 -0.680 -15.304 462 HE ARG 68 HE ARG 68 -12.352 0.488 -17.305 463 HH11 ARG 68 1HH1 ARG 68 -15.363 -1.164 -16.494 464 HH12 ARG 68 2HH1 ARG 68 -15.436 -2.136 -17.864 465 HH21 ARG 68 1HH2 ARG 68 -12.548 -0.765 -19.439 466 HH22 ARG 68 2HH2 ARG 68 -13.860 -1.865 -19.571 467 H LEU 69 H LEU 69 -15.750 2.705 -11.367 468 HA LEU 69 HA LEU 69 -15.779 0.607 -9.564 469 HB2 LEU 69 2HB LEU 69 -15.820 2.012 -7.448 470 HB3 LEU 69 1HB LEU 69 -14.244 1.791 -8.165 471 HG LEU 69 HG LEU 69 -14.545 4.124 -9.164 472 HD11 LEU 69 1HD1 LEU 69 -16.930 4.392 -8.838 473 HD12 LEU 69 2HD1 LEU 69 -16.028 5.650 -7.991 474 HD13 LEU 69 3HD1 LEU 69 -16.717 4.299 -7.089 475 HD21 LEU 69 1HD2 LEU 69 -13.001 3.687 -7.399 476 HD22 LEU 69 2HD2 LEU 69 -14.287 3.700 -6.205 477 HD23 LEU 69 3HD2 LEU 69 -13.847 5.195 -7.041 478 H THR 70 H THR 70 -17.838 0.958 -8.091 479 HA THR 70 HA THR 70 -19.620 2.729 -9.573 480 HB THR 70 HB THR 70 -21.539 1.312 -8.902 481 HG1 THR 70 1HG THR 70 -19.535 -0.157 -7.571 482 HG21 THR 70 1HG2 THR 70 -20.496 0.799 -11.047 483 HG22 THR 70 2HG2 THR 70 -21.101 -0.675 -10.289 484 HG23 THR 70 3HG2 THR 70 -19.377 -0.308 -10.251 485 H LEU 71 H LEU 71 -21.132 3.901 -8.258 486 HA LEU 71 HA LEU 71 -19.774 5.008 -6.069 487 HB2 LEU 71 2HB LEU 71 -21.625 5.917 -7.701 488 HB3 LEU 71 1HB LEU 71 -22.616 5.335 -6.370 489 HG LEU 71 HG LEU 71 -21.449 6.775 -4.800 490 HD11 LEU 71 1HD1 LEU 71 -20.193 7.693 -7.305 491 HD12 LEU 71 2HD1 LEU 71 -19.345 6.841 -6.012 492 HD13 LEU 71 3HD1 LEU 71 -19.928 8.497 -5.760 493 HD21 LEU 71 1HD2 LEU 71 -22.399 8.882 -5.575 494 HD22 LEU 71 2HD2 LEU 71 -23.515 7.552 -5.912 495 HD23 LEU 71 3HD2 LEU 71 -22.529 8.230 -7.206 496 H ARG 72 H ARG 72 -22.090 2.511 -6.297 497 HA ARG 72 HA ARG 72 -23.364 2.342 -3.817 498 HB2 ARG 72 2HB ARG 72 -22.102 0.003 -5.243 499 HB3 ARG 72 1HB ARG 72 -23.471 -0.036 -4.155 500 HG2 ARG 72 2HG ARG 72 -24.864 1.034 -5.793 501 HG3 ARG 72 1HG ARG 72 -23.474 1.289 -6.860 502 HD2 ARG 72 2HD ARG 72 -24.607 -1.375 -5.996 503 HD3 ARG 72 1HD ARG 72 -24.716 -0.662 -7.608 504 HE ARG 72 HE ARG 72 -22.075 -0.725 -7.282 505 HH11 ARG 72 1HH1 ARG 72 -24.445 -3.298 -6.724 506 HH12 ARG 72 2HH1 ARG 72 -23.331 -4.565 -6.936 507 HH21 ARG 72 1HH2 ARG 72 -20.560 -2.393 -7.548 508 HH22 ARG 72 2HH2 ARG 72 -21.000 -4.029 -7.423 509 H GLU 73 H GLU 73 -20.137 1.731 -4.763 510 HA GLU 73 HA GLU 73 -19.371 0.128 -2.469 511 HB2 GLU 73 2HB GLU 73 -17.752 1.282 -4.748 512 HB3 GLU 73 1HB GLU 73 -17.141 0.142 -3.552 513 HG2 GLU 73 2HG GLU 73 -18.577 -1.575 -4.314 514 HG3 GLU 73 1HG GLU 73 -19.509 -0.420 -5.269 515 H LEU 74 H LEU 74 -19.292 3.393 -3.478 516 HA LEU 74 HA LEU 74 -17.330 4.219 -1.513 517 HB2 LEU 74 2HB LEU 74 -19.098 6.012 -3.177 518 HB3 LEU 74 1HB LEU 74 -17.627 6.461 -2.342 519 HG LEU 74 HG LEU 74 -17.919 4.839 -4.855 520 HD11 LEU 74 1HD1 LEU 74 -16.538 6.522 -5.839 521 HD12 LEU 74 2HD1 LEU 74 -16.243 7.243 -4.269 522 HD13 LEU 74 3HD1 LEU 74 -17.847 7.343 -4.969 523 HD21 LEU 74 1HD2 LEU 74 -15.498 4.490 -4.814 524 HD22 LEU 74 2HD2 LEU 74 -16.303 3.664 -3.481 525 HD23 LEU 74 3HD2 LEU 74 -15.428 5.170 -3.188 526 H TYR 75 H TYR 75 -20.694 3.802 -1.694 527 HA TYR 75 HA TYR 75 -21.274 5.392 0.652 528 HB2 TYR 75 2HB TYR 75 -22.886 3.434 -0.961 529 HB3 TYR 75 1HB TYR 75 -23.454 4.023 0.598 530 HD1 TYR 75 HD1 TYR 75 -24.170 6.329 0.847 531 HD2 TYR 75 HD2 TYR 75 -22.918 4.823 -2.925 532 HE1 TYR 75 HE1 TYR 75 -25.262 8.228 -0.261 533 HE2 TYR 75 HE2 TYR 75 -24.003 6.722 -4.045 534 HH TYR 75 HH TYR 75 -25.226 9.437 -2.286 535 H ALA 76 H ALA 76 -20.610 2.068 -0.181 536 HA ALA 76 HA ALA 76 -21.247 0.903 2.312 537 HB1 ALA 76 1HB ALA 76 -21.068 -0.405 0.243 538 HB2 ALA 76 2HB ALA 76 -20.011 -1.046 1.501 539 HB3 ALA 76 3HB ALA 76 -19.336 -0.079 0.189 540 H ALA 77 H ALA 77 -18.237 2.124 0.931 541 HA ALA 77 HA ALA 77 -17.219 2.341 3.648 542 HB1 ALA 77 1HB ALA 77 -16.145 0.374 2.639 543 HB2 ALA 77 2HB ALA 77 -14.979 1.673 2.892 544 HB3 ALA 77 3HB ALA 77 -15.616 1.361 1.277 545 HA PRO 78 HA PRO 78 -16.654 6.233 1.479 546 HB2 PRO 78 2HB PRO 78 -17.821 7.824 3.341 547 HB3 PRO 78 1HB PRO 78 -18.732 6.960 2.080 548 HG2 PRO 78 2HG PRO 78 -18.736 6.482 4.934 549 HG3 PRO 78 1HG PRO 78 -19.792 5.807 3.682 550 HD2 PRO 78 2HD PRO 78 -17.465 4.592 4.951 551 HD3 PRO 78 1HD PRO 78 -18.705 3.848 3.919 552 H THR 79 H THR 79 -14.429 5.835 1.952 553 HA THR 79 HA THR 79 -13.310 7.714 3.835 554 HB THR 79 HB THR 79 -11.576 5.964 4.389 555 HG1 THR 79 1HG THR 79 -11.775 3.980 3.803 556 HG21 THR 79 1HG2 THR 79 -14.384 5.228 5.204 557 HG22 THR 79 2HG2 THR 79 -13.368 6.441 5.974 558 HG23 THR 79 3HG2 THR 79 -12.907 4.731 6.046 559 H LEU 80 H LEU 80 -10.748 7.667 3.042 560 HA LEU 80 HA LEU 80 -11.080 8.223 0.268 561 HB2 LEU 80 2HB LEU 80 -8.667 8.232 1.972 562 HB3 LEU 80 1HB LEU 80 -8.695 8.560 0.244 563 HG LEU 80 HG LEU 80 -10.232 10.192 2.253 564 HD11 LEU 80 1HD1 LEU 80 -7.881 10.334 2.713 565 HD12 LEU 80 2HD1 LEU 80 -8.390 11.819 1.869 566 HD13 LEU 80 3HD1 LEU 80 -7.555 10.519 0.995 567 HD21 LEU 80 1HD2 LEU 80 -10.323 11.799 0.427 568 HD22 LEU 80 2HD2 LEU 80 -11.049 10.280 -0.094 569 HD23 LEU 80 3HD2 LEU 80 -9.447 10.711 -0.637 570 H ALA 81 H ALA 81 -9.368 5.807 2.225 571 HA ALA 81 HA ALA 81 -7.802 4.799 0.139 572 HB1 ALA 81 1HB ALA 81 -7.247 2.934 1.565 573 HB2 ALA 81 2HB ALA 81 -8.599 3.315 2.632 574 HB3 ALA 81 3HB ALA 81 -7.241 4.430 2.499 575 H ALA 82 H ALA 82 -11.028 4.019 1.128 576 HA ALA 82 HA ALA 82 -11.302 1.607 -0.240 577 HB1 ALA 82 1HB ALA 82 -13.397 3.732 0.195 578 HB2 ALA 82 2HB ALA 82 -13.018 2.401 1.295 579 HB3 ALA 82 3HB ALA 82 -13.704 2.072 -0.302 580 H TRP 83 H TRP 83 -12.048 4.894 -1.401 581 HA TRP 83 HA TRP 83 -12.859 4.098 -4.029 582 HB2 TRP 83 2HB TRP 83 -11.606 6.857 -3.574 583 HB3 TRP 83 1HB TRP 83 -12.883 6.368 -4.654 584 HD1 TRP 83 HD1 TRP 83 -13.607 5.443 -1.101 585 HE1 TRP 83 HE1 TRP 83 -15.407 7.025 -0.233 586 HE3 TRP 83 HE3 TRP 83 -13.507 8.849 -4.861 587 HZ2 TRP 83 HZ2 TRP 83 -16.609 9.460 -1.022 588 HZ3 TRP 83 HZ3 TRP 83 -14.979 10.790 -4.726 589 HH2 TRP 83 HH2 TRP 83 -16.502 11.096 -2.847 590 H ASN 84 H ASN 84 -9.914 5.114 -2.562 591 HA ASN 84 HA ASN 84 -8.105 5.383 -4.676 592 HB2 ASN 84 2HB ASN 84 -7.731 6.065 -2.323 593 HB3 ASN 84 1HB ASN 84 -7.656 4.378 -1.863 594 HD21 ASN 84 1HD2 ASN 84 -5.793 3.176 -2.421 595 HD22 ASN 84 2HD2 ASN 84 -4.324 3.970 -2.852 596 H GLN 85 H GLN 85 -8.818 2.522 -2.642 597 HA GLN 85 HA GLN 85 -7.031 0.791 -4.113 598 HB2 GLN 85 2HB GLN 85 -9.140 0.114 -2.060 599 HB3 GLN 85 1HB GLN 85 -7.936 -0.994 -2.694 600 HG2 GLN 85 2HG GLN 85 -6.161 0.377 -1.694 601 HG3 GLN 85 1HG GLN 85 -7.398 1.477 -1.075 602 HE21 GLN 85 1HE2 GLN 85 -6.850 1.129 1.070 603 HE22 GLN 85 2HE2 GLN 85 -7.212 -0.367 1.859 604 H LEU 86 H LEU 86 -10.476 1.485 -4.189 605 HA LEU 86 HA LEU 86 -11.280 -0.736 -5.623 606 HB2 LEU 86 2HB LEU 86 -12.383 2.043 -5.636 607 HB3 LEU 86 1HB LEU 86 -13.150 0.700 -6.467 608 HG LEU 86 HG LEU 86 -12.622 0.827 -3.499 609 HD11 LEU 86 1HD1 LEU 86 -15.159 1.095 -5.042 610 HD12 LEU 86 2HD1 LEU 86 -14.285 2.402 -4.224 611 HD13 LEU 86 3HD1 LEU 86 -14.996 1.090 -3.276 612 HD21 LEU 86 1HD2 LEU 86 -14.115 -1.200 -5.163 613 HD22 LEU 86 2HD2 LEU 86 -14.095 -1.139 -3.405 614 HD23 LEU 86 3HD2 LEU 86 -12.607 -1.474 -4.283 615 H MET 87 H MET 87 -9.728 2.157 -6.763 616 HA MET 87 HA MET 87 -9.975 1.805 -9.533 617 HB2 MET 87 2HB MET 87 -7.692 2.904 -7.906 618 HB3 MET 87 1HB MET 87 -7.644 2.827 -9.653 619 HG2 MET 87 2HG MET 87 -9.660 4.269 -9.707 620 HG3 MET 87 1HG MET 87 -9.526 4.428 -7.951 621 HE1 MET 87 HE1 MET 87 -8.160 7.778 -9.853 622 HE2 MET 87 HE2 MET 87 -9.317 7.307 -8.650 623 HE3 MET 87 HE3 MET 87 -9.453 6.646 -10.300 624 H LEU 88 H LEU 88 -7.425 0.625 -7.369 625 HA LEU 88 HA LEU 88 -6.249 -0.991 -9.388 626 HB2 LEU 88 2HB LEU 88 -5.834 -0.819 -6.446 627 HB3 LEU 88 1HB LEU 88 -5.013 -2.080 -7.384 628 HG LEU 88 HG LEU 88 -4.250 -0.054 -8.713 629 HD11 LEU 88 1HD1 LEU 88 -3.959 1.991 -7.381 630 HD12 LEU 88 2HD1 LEU 88 -4.929 1.262 -6.099 631 HD13 LEU 88 3HD1 LEU 88 -5.655 1.593 -7.674 632 HD21 LEU 88 1HD2 LEU 88 -2.294 0.182 -7.252 633 HD22 LEU 88 2HD2 LEU 88 -2.780 -1.494 -7.499 634 HD23 LEU 88 3HD2 LEU 88 -3.173 -0.674 -5.987 635 H SER 89 H SER 89 -8.585 -1.648 -6.888 636 HA SER 89 HA SER 89 -8.490 -4.453 -6.968 637 HB2 SER 89 2HB SER 89 -10.834 -2.684 -6.251 638 HB3 SER 89 1HB SER 89 -10.638 -4.380 -5.813 639 HG SER 89 HG SER 89 -8.940 -2.239 -5.016 640 H ARG 90 H ARG 90 -9.950 -2.165 -9.093 641 HA ARG 90 HA ARG 90 -11.581 -4.121 -10.406 642 HB2 ARG 90 2HB ARG 90 -10.803 -1.322 -11.128 643 HB3 ARG 90 1HB ARG 90 -11.640 -2.363 -12.259 644 HG2 ARG 90 2HG ARG 90 -12.631 -1.472 -9.572 645 HG3 ARG 90 1HG ARG 90 -13.176 -0.886 -11.143 646 HD2 ARG 90 2HD ARG 90 -13.710 -3.377 -11.613 647 HD3 ARG 90 1HD ARG 90 -13.628 -3.551 -9.858 648 HE ARG 90 HE ARG 90 -15.604 -2.211 -11.438 649 HH11 ARG 90 1HH1 ARG 90 -14.287 -2.544 -8.117 650 HH12 ARG 90 2HH1 ARG 90 -15.720 -2.010 -7.356 651 HH21 ARG 90 1HH2 ARG 90 -17.516 -1.519 -10.352 652 HH22 ARG 90 2HH2 ARG 90 -17.522 -1.381 -8.615 653 H SER 91 H SER 91 -8.961 -2.206 -11.638 654 HA SER 91 HA SER 91 -7.734 -2.393 -13.419 655 HB2 SER 91 2HB SER 91 -7.351 -5.272 -12.483 656 HB3 SER 91 1HB SER 91 -6.317 -4.472 -13.672 657 HG SER 91 HG SER 91 -6.686 -3.857 -10.933 658 HA PRO 92 HA PRO 92 -10.160 -4.538 -16.711 659 HB2 PRO 92 2HB PRO 92 -10.849 -7.122 -16.799 660 HB3 PRO 92 1HB PRO 92 -9.166 -6.638 -17.096 661 HG2 PRO 92 2HG PRO 92 -10.360 -7.835 -14.667 662 HG3 PRO 92 1HG PRO 92 -8.766 -8.103 -15.399 663 HD2 PRO 92 2HD PRO 92 -9.258 -6.438 -13.234 664 HD3 PRO 92 1HD PRO 92 -7.825 -6.386 -14.278 665 H GLU 93 H GLU 93 -12.468 -4.637 -17.266 666 HA GLU 93 HA GLU 93 -14.492 -5.625 -15.772 667 HB2 GLU 93 2HB GLU 93 -13.786 -3.676 -14.213 668 HB3 GLU 93 1HB GLU 93 -13.998 -2.607 -15.586 669 HG2 GLU 93 2HG GLU 93 -16.417 -3.458 -15.613 670 HG3 GLU 93 1HG GLU 93 -16.090 -4.051 -13.983 Start of MODEL 18 1 H ASP 14 1H ASP 14 -1.533 4.534 0.790 2 HA ASP 14 HA ASP 14 -0.221 3.563 -1.035 3 HB2 ASP 14 2HB ASP 14 -2.638 2.743 -0.482 4 HB3 ASP 14 1HB ASP 14 -3.145 3.640 -1.905 5 H ASN 15 H ASN 15 -1.746 3.631 -3.715 6 HA ASN 15 HA ASN 15 -2.224 4.896 -5.506 7 HB2 ASN 15 2HB ASN 15 -0.979 7.289 -4.123 8 HB3 ASN 15 1HB ASN 15 -1.713 7.316 -5.718 9 HD21 ASN 15 1HD2 ASN 15 -3.955 7.337 -5.890 10 HD22 ASN 15 2HD2 ASN 15 -4.962 7.455 -4.498 11 H ARG 16 H ARG 16 -0.993 3.752 -6.954 12 HA ARG 16 HA ARG 16 1.548 5.025 -7.341 13 HB2 ARG 16 2HB ARG 16 2.328 2.941 -8.640 14 HB3 ARG 16 1HB ARG 16 2.325 2.918 -6.896 15 HG2 ARG 16 2HG ARG 16 0.067 1.927 -8.447 16 HG3 ARG 16 1HG ARG 16 1.493 0.879 -8.242 17 HD2 ARG 16 2HD ARG 16 1.020 1.512 -5.655 18 HD3 ARG 16 1HD ARG 16 -0.621 1.740 -6.265 19 HE ARG 16 HE ARG 16 0.473 -0.702 -7.169 20 HH11 ARG 16 1HH1 ARG 16 -1.141 0.701 -4.261 21 HH12 ARG 16 2HH1 ARG 16 -1.533 -0.772 -3.631 22 HH21 ARG 16 1HH2 ARG 16 -0.193 -2.694 -6.348 23 HH22 ARG 16 2HH2 ARG 16 -1.024 -2.819 -4.861 24 H HIS 17 H HIS 17 -0.426 3.183 -9.851 25 HA HIS 17 HA HIS 17 -0.006 5.482 -11.602 26 HB2 HIS 17 2HB HIS 17 -0.342 3.103 -12.519 27 HB3 HIS 17 1HB HIS 17 -1.991 3.174 -11.918 28 HD1 HIS 17 HD1 HIS 17 -3.406 5.449 -13.122 29 HD2 HIS 17 HD2 HIS 17 -0.122 3.775 -15.086 30 HE1 HIS 17 HE1 HIS 17 -3.622 6.083 -15.523 31 H ALA 18 H ALA 18 -2.213 4.015 -9.521 32 HA ALA 18 HA ALA 18 -4.442 5.615 -9.469 33 HB1 ALA 18 1HB ALA 18 -4.290 3.615 -8.120 34 HB2 ALA 18 2HB ALA 18 -4.663 4.986 -7.074 35 HB3 ALA 18 3HB ALA 18 -3.022 4.337 -7.151 36 H ALA 19 H ALA 19 -1.273 6.693 -8.793 37 HA ALA 19 HA ALA 19 -1.570 8.795 -7.033 38 HB1 ALA 19 1HB ALA 19 0.257 9.884 -8.205 39 HB2 ALA 19 2HB ALA 19 -0.004 8.850 -9.610 40 HB3 ALA 19 3HB ALA 19 0.558 8.149 -8.092 41 H ASP 20 H ASP 20 -2.984 8.548 -10.224 42 HA ASP 20 HA ASP 20 -3.696 11.242 -10.684 43 HB2 ASP 20 2HB ASP 20 -4.082 9.412 -12.345 44 HB3 ASP 20 1HB ASP 20 -5.332 8.776 -11.266 45 H TYR 21 H TYR 21 -4.978 8.846 -8.536 46 HA TYR 21 HA TYR 21 -7.342 10.236 -7.837 47 HB2 TYR 21 2HB TYR 21 -7.077 7.793 -7.505 48 HB3 TYR 21 1HB TYR 21 -5.862 8.113 -6.276 49 HD1 TYR 21 HD1 TYR 21 -6.537 8.168 -4.094 50 HD2 TYR 21 HD2 TYR 21 -9.378 8.977 -7.095 51 HE1 TYR 21 HE1 TYR 21 -8.238 8.342 -2.416 52 HE2 TYR 21 HE2 TYR 21 -11.143 9.131 -5.391 53 HH TYR 21 HH TYR 21 -11.602 8.509 -3.189 54 H GLN 22 H GLN 22 -4.041 10.542 -6.958 55 HA GLN 22 HA GLN 22 -4.470 11.912 -4.526 56 HB2 GLN 22 2HB GLN 22 -2.127 11.899 -6.438 57 HB3 GLN 22 1HB GLN 22 -2.127 12.938 -5.022 58 HG2 GLN 22 2HG GLN 22 -2.493 9.962 -4.904 59 HG3 GLN 22 1HG GLN 22 -0.930 10.771 -4.748 60 HE21 GLN 22 1HE2 GLN 22 -0.497 11.953 -2.920 61 HE22 GLN 22 2HE2 GLN 22 -1.472 11.848 -1.496 62 H GLN 23 H GLN 23 -4.476 12.776 -7.883 63 HA GLN 23 HA GLN 23 -4.654 15.593 -7.617 64 HB2 GLN 23 2HB GLN 23 -3.901 14.663 -9.695 65 HB3 GLN 23 1HB GLN 23 -5.250 13.569 -9.781 66 HG2 GLN 23 2HG GLN 23 -5.721 16.508 -10.041 67 HG3 GLN 23 1HG GLN 23 -5.036 15.612 -11.392 68 HE21 GLN 23 1HE2 GLN 23 -6.291 13.794 -12.243 69 HE22 GLN 23 2HE2 GLN 23 -7.990 13.835 -12.118 70 H LEU 24 H LEU 24 -6.930 12.935 -7.721 71 HA LEU 24 HA LEU 24 -9.200 14.574 -7.410 72 HB2 LEU 24 2HB LEU 24 -9.472 12.266 -8.234 73 HB3 LEU 24 1HB LEU 24 -8.893 11.567 -6.767 74 HG LEU 24 HG LEU 24 -11.448 13.185 -6.959 75 HD11 LEU 24 1HD1 LEU 24 -12.595 11.036 -7.024 76 HD12 LEU 24 2HD1 LEU 24 -11.039 10.215 -7.161 77 HD13 LEU 24 3HD1 LEU 24 -11.586 11.289 -8.444 78 HD21 LEU 24 1HD2 LEU 24 -10.576 12.919 -4.694 79 HD22 LEU 24 2HD2 LEU 24 -10.491 11.174 -4.955 80 HD23 LEU 24 3HD2 LEU 24 -12.059 11.986 -4.940 81 H ARG 25 H ARG 25 -6.976 13.131 -5.087 82 HA ARG 25 HA ARG 25 -8.256 13.707 -2.658 83 HB2 ARG 25 2HB ARG 25 -5.451 13.283 -3.394 84 HB3 ARG 25 1HB ARG 25 -5.639 14.394 -2.056 85 HG2 ARG 25 2HG ARG 25 -5.316 12.227 -1.149 86 HG3 ARG 25 1HG ARG 25 -7.010 12.650 -0.903 87 HD2 ARG 25 2HD ARG 25 -7.579 11.410 -2.893 88 HD3 ARG 25 1HD ARG 25 -5.898 10.879 -3.067 89 HE ARG 25 HE ARG 25 -7.850 10.085 -1.064 90 HH11 ARG 25 1HH1 ARG 25 -4.451 9.708 -2.038 91 HH12 ARG 25 2HH1 ARG 25 -4.337 8.106 -1.518 92 HH21 ARG 25 1HH2 ARG 25 -7.661 7.794 -0.382 93 HH22 ARG 25 2HH2 ARG 25 -6.153 7.040 -0.445 94 H GLU 26 H GLU 26 -6.089 15.800 -4.537 95 HA GLU 26 HA GLU 26 -5.983 18.025 -2.962 96 HB2 GLU 26 2HB GLU 26 -4.736 17.533 -5.094 97 HB3 GLU 26 1HB GLU 26 -6.194 17.890 -5.985 98 HG2 GLU 26 2HG GLU 26 -4.758 19.868 -4.239 99 HG3 GLU 26 1HG GLU 26 -4.452 19.678 -5.962 100 H ARG 27 H ARG 27 -8.210 17.464 -5.661 101 HA ARG 27 HA ARG 27 -9.741 19.668 -4.909 102 HB2 ARG 27 2HB ARG 27 -9.663 18.972 -7.229 103 HB3 ARG 27 1HB ARG 27 -10.523 17.486 -6.829 104 HG2 ARG 27 2HG ARG 27 -12.399 18.823 -6.000 105 HG3 ARG 27 1HG ARG 27 -11.542 20.283 -6.458 106 HD2 ARG 27 2HD ARG 27 -11.643 19.490 -8.840 107 HD3 ARG 27 1HD ARG 27 -12.567 18.125 -8.254 108 HE ARG 27 HE ARG 27 -14.373 19.478 -7.635 109 HH11 ARG 27 1HH1 ARG 27 -11.821 21.478 -9.043 110 HH12 ARG 27 2HH1 ARG 27 -12.827 22.836 -9.238 111 HH21 ARG 27 1HH2 ARG 27 -15.647 21.175 -7.803 112 HH22 ARG 27 2HH2 ARG 27 -15.189 22.678 -8.504 113 H LEU 28 H LEU 28 -10.039 16.287 -3.966 114 HA LEU 28 HA LEU 28 -12.702 16.464 -3.081 115 HB2 LEU 28 2HB LEU 28 -10.759 14.443 -3.089 116 HB3 LEU 28 1HB LEU 28 -11.010 14.760 -1.397 117 HG LEU 28 HG LEU 28 -13.128 14.003 -3.376 118 HD11 LEU 28 1HD1 LEU 28 -11.983 12.493 -1.047 119 HD12 LEU 28 2HD1 LEU 28 -11.689 12.153 -2.751 120 HD13 LEU 28 3HD1 LEU 28 -13.306 11.945 -2.073 121 HD21 LEU 28 1HD2 LEU 28 -14.075 15.502 -1.717 122 HD22 LEU 28 2HD2 LEU 28 -13.397 14.526 -0.418 123 HD23 LEU 28 3HD2 LEU 28 -14.654 13.860 -1.459 124 H ILE 29 H ILE 29 -9.639 17.136 -1.523 125 HA ILE 29 HA ILE 29 -10.745 17.871 0.968 126 HB ILE 29 HB ILE 29 -8.041 18.449 -0.305 127 HG12 ILE 29 2HG1 ILE 29 -8.918 16.526 1.837 128 HG13 ILE 29 1HG1 ILE 29 -8.573 16.101 0.166 129 HG21 ILE 29 1HG2 ILE 29 -7.235 19.131 1.884 130 HG22 ILE 29 2HG2 ILE 29 -8.827 18.880 2.575 131 HG23 ILE 29 3HG2 ILE 29 -8.575 20.180 1.402 132 HD11 ILE 29 1HD1 ILE 29 -6.227 16.697 0.520 133 HD12 ILE 29 2HD1 ILE 29 -6.805 15.467 1.658 134 HD13 ILE 29 3HD1 ILE 29 -6.606 17.136 2.196 135 H GLN 30 H GLN 30 -9.777 19.606 -1.894 136 HA GLN 30 HA GLN 30 -10.179 22.268 -1.241 137 HB2 GLN 30 2HB GLN 30 -9.241 21.169 -3.319 138 HB3 GLN 30 1HB GLN 30 -10.902 20.907 -3.807 139 HG2 GLN 30 2HG GLN 30 -11.201 23.392 -3.722 140 HG3 GLN 30 1HG GLN 30 -9.449 23.509 -3.520 141 HE21 GLN 30 1HE2 GLN 30 -8.112 22.465 -5.184 142 HE22 GLN 30 2HE2 GLN 30 -8.654 22.405 -6.776 143 H GLU 31 H GLU 31 -12.451 19.935 -2.659 144 HA GLU 31 HA GLU 31 -14.505 21.798 -3.036 145 HB2 GLU 31 2HB GLU 31 -13.979 19.793 -4.416 146 HB3 GLU 31 1HB GLU 31 -14.756 18.812 -3.186 147 HG2 GLU 31 2HG GLU 31 -16.879 19.708 -3.685 148 HG3 GLU 31 1HG GLU 31 -16.182 21.051 -4.591 149 H LEU 32 H LEU 32 -13.983 19.460 -0.330 150 HA LEU 32 HA LEU 32 -16.446 20.550 0.796 151 HB2 LEU 32 2HB LEU 32 -14.660 18.328 1.609 152 HB3 LEU 32 1HB LEU 32 -15.693 19.073 2.811 153 HG LEU 32 HG LEU 32 -16.526 17.586 0.330 154 HD11 LEU 32 1HD1 LEU 32 -17.522 16.078 2.025 155 HD12 LEU 32 2HD1 LEU 32 -16.740 17.028 3.292 156 HD13 LEU 32 3HD1 LEU 32 -15.770 16.158 2.099 157 HD21 LEU 32 1HD2 LEU 32 -18.091 19.425 0.703 158 HD22 LEU 32 2HD2 LEU 32 -18.202 18.999 2.409 159 HD23 LEU 32 3HD2 LEU 32 -18.826 17.897 1.185 160 H ASN 33 H ASN 33 -13.501 21.780 0.566 161 HA ASN 33 HA ASN 33 -12.184 23.218 1.729 162 HB2 ASN 33 2HB ASN 33 -14.477 24.411 1.899 163 HB3 ASN 33 1HB ASN 33 -14.603 23.734 3.515 164 HD21 ASN 33 1HD2 ASN 33 -13.167 24.504 5.111 165 HD22 ASN 33 2HD2 ASN 33 -12.360 26.037 4.955 166 H LEU 34 H LEU 34 -11.825 20.727 2.320 167 HA LEU 34 HA LEU 34 -11.846 20.241 5.188 168 HB2 LEU 34 2HB LEU 34 -10.874 18.527 2.884 169 HB3 LEU 34 1HB LEU 34 -10.924 18.015 4.558 170 HG LEU 34 HG LEU 34 -13.349 18.839 3.027 171 HD11 LEU 34 1HD1 LEU 34 -13.855 16.435 2.646 172 HD12 LEU 34 2HD1 LEU 34 -12.370 15.989 3.466 173 HD13 LEU 34 3HD1 LEU 34 -12.308 16.843 1.926 174 HD21 LEU 34 1HD2 LEU 34 -14.554 17.576 4.754 175 HD22 LEU 34 2HD2 LEU 34 -13.624 18.918 5.421 176 HD23 LEU 34 3HD2 LEU 34 -13.024 17.264 5.571 177 H THR 35 H THR 35 -9.598 19.001 5.722 178 HA THR 35 HA THR 35 -7.349 20.608 4.806 179 HB THR 35 HB THR 35 -8.056 20.058 7.729 180 HG1 THR 35 1HG THR 35 -8.891 22.017 6.022 181 HG21 THR 35 1HG2 THR 35 -5.976 21.894 6.506 182 HG22 THR 35 2HG2 THR 35 -5.644 20.369 7.332 183 HG23 THR 35 3HG2 THR 35 -6.314 21.730 8.229 184 HA PRO 36 HA PRO 36 -5.610 16.376 4.733 185 HB2 PRO 36 2HB PRO 36 -3.157 17.621 5.902 186 HB3 PRO 36 1HB PRO 36 -3.307 16.593 4.459 187 HG2 PRO 36 2HG PRO 36 -2.905 19.163 4.160 188 HG3 PRO 36 1HG PRO 36 -4.062 18.308 3.119 189 HD2 PRO 36 2HD PRO 36 -4.605 20.140 5.408 190 HD3 PRO 36 1HD PRO 36 -5.472 19.956 3.870 191 H GLN 37 H GLN 37 -5.227 18.376 7.586 192 HA GLN 37 HA GLN 37 -4.794 16.189 9.374 193 HB2 GLN 37 2HB GLN 37 -5.517 19.085 9.852 194 HB3 GLN 37 1HB GLN 37 -5.325 17.936 11.161 195 HG2 GLN 37 2HG GLN 37 -3.318 19.259 10.930 196 HG3 GLN 37 1HG GLN 37 -2.976 17.593 10.495 197 HE21 GLN 37 1HE2 GLN 37 -1.162 18.177 9.334 198 HE22 GLN 37 2HE2 GLN 37 -1.247 18.988 7.810 199 H GLN 38 H GLN 38 -7.529 17.300 7.773 200 HA GLN 38 HA GLN 38 -9.418 16.287 9.753 201 HB2 GLN 38 2HB GLN 38 -9.974 18.498 8.829 202 HB3 GLN 38 1HB GLN 38 -9.748 17.903 7.194 203 HG2 GLN 38 2HG GLN 38 -12.060 18.102 7.614 204 HG3 GLN 38 1HG GLN 38 -11.583 16.404 7.471 205 HE21 GLN 38 1HE2 GLN 38 -13.421 15.703 8.596 206 HE22 GLN 38 2HE2 GLN 38 -13.564 15.911 10.309 207 H LEU 39 H LEU 39 -7.768 15.568 6.803 208 HA LEU 39 HA LEU 39 -9.534 13.318 6.392 209 HB2 LEU 39 2HB LEU 39 -10.342 15.166 4.984 210 HB3 LEU 39 1HB LEU 39 -8.785 15.233 4.192 211 HG LEU 39 HG LEU 39 -9.149 12.821 3.617 212 HD11 LEU 39 1HD1 LEU 39 -10.945 12.322 5.119 213 HD12 LEU 39 2HD1 LEU 39 -11.455 12.044 3.456 214 HD13 LEU 39 3HD1 LEU 39 -11.985 13.495 4.313 215 HD21 LEU 39 1HD2 LEU 39 -10.883 14.944 2.357 216 HD22 LEU 39 2HD2 LEU 39 -10.532 13.377 1.631 217 HD23 LEU 39 3HD2 LEU 39 -9.222 14.519 1.934 218 H HIS 40 H HIS 40 -8.010 11.896 6.936 219 HA HIS 40 HA HIS 40 -5.772 11.599 5.092 220 HB2 HIS 40 2HB HIS 40 -5.040 11.554 7.475 221 HB3 HIS 40 1HB HIS 40 -6.240 10.318 7.833 222 HD1 HIS 40 HD1 HIS 40 -5.212 8.108 8.059 223 HD2 HIS 40 HD2 HIS 40 -3.162 10.439 5.309 224 HE1 HIS 40 HE1 HIS 40 -3.496 6.606 7.074 225 H GLU 41 H GLU 41 -5.536 9.010 4.543 226 HA GLU 41 HA GLU 41 -8.001 8.790 3.342 227 HB2 GLU 41 2HB GLU 41 -7.256 6.853 1.982 228 HB3 GLU 41 1HB GLU 41 -6.289 8.292 1.839 229 HG2 GLU 41 2HG GLU 41 -4.555 7.226 3.240 230 HG3 GLU 41 1HG GLU 41 -5.551 5.770 3.326 231 H GLU 42 H GLU 42 -7.431 7.593 6.326 232 HA GLU 42 HA GLU 42 -9.264 5.327 5.924 233 HB2 GLU 42 2HB GLU 42 -8.581 4.531 8.060 234 HB3 GLU 42 1HB GLU 42 -7.149 5.291 7.448 235 HG2 GLU 42 2HG GLU 42 -9.042 6.675 9.329 236 HG3 GLU 42 1HG GLU 42 -7.618 5.777 9.839 237 H SER 43 H SER 43 -9.431 8.560 6.371 238 HA SER 43 HA SER 43 -11.483 8.738 8.310 239 HB2 SER 43 2HB SER 43 -10.528 10.734 6.272 240 HB3 SER 43 1HB SER 43 -11.488 11.102 7.709 241 HG SER 43 HG SER 43 -9.018 9.743 8.075 242 H ASN 44 H ASN 44 -13.633 9.016 8.063 243 HA ASN 44 HA ASN 44 -14.876 7.953 5.722 244 HB2 ASN 44 2HB ASN 44 -16.045 8.975 8.305 245 HB3 ASN 44 1HB ASN 44 -17.039 8.406 6.974 246 HD21 ASN 44 1HD2 ASN 44 -17.904 6.719 8.097 247 HD22 ASN 44 2HD2 ASN 44 -16.971 5.337 8.581 248 H LEU 45 H LEU 45 -15.475 8.961 4.070 249 HA LEU 45 HA LEU 45 -15.448 11.829 3.938 250 HB2 LEU 45 2HB LEU 45 -15.771 9.683 1.922 251 HB3 LEU 45 1HB LEU 45 -16.130 11.350 1.515 252 HG LEU 45 HG LEU 45 -13.478 10.591 2.696 253 HD11 LEU 45 1HD1 LEU 45 -14.308 10.619 -0.199 254 HD12 LEU 45 2HD1 LEU 45 -13.807 9.212 0.760 255 HD13 LEU 45 3HD1 LEU 45 -12.648 10.489 0.399 256 HD21 LEU 45 1HD2 LEU 45 -12.784 12.678 1.557 257 HD22 LEU 45 2HD2 LEU 45 -14.085 12.990 2.688 258 HD23 LEU 45 3HD2 LEU 45 -14.421 12.926 0.975 259 H ILE 46 H ILE 46 -18.061 9.448 3.867 260 HA ILE 46 HA ILE 46 -20.022 11.386 3.108 261 HB ILE 46 HB ILE 46 -20.357 8.690 4.487 262 HG12 ILE 46 2HG1 ILE 46 -19.545 8.595 2.168 263 HG13 ILE 46 1HG1 ILE 46 -21.148 7.887 2.325 264 HG21 ILE 46 1HG2 ILE 46 -22.263 10.069 5.110 265 HG22 ILE 46 2HG2 ILE 46 -22.759 8.800 3.988 266 HG23 ILE 46 3HG2 ILE 46 -22.557 10.456 3.415 267 HD11 ILE 46 1HD1 ILE 46 -22.113 9.937 1.393 268 HD12 ILE 46 2HD1 ILE 46 -20.959 9.182 0.299 269 HD13 ILE 46 3HD1 ILE 46 -20.488 10.611 1.223 270 H GLN 47 H GLN 47 -18.490 10.563 6.020 271 HA GLN 47 HA GLN 47 -20.345 11.999 7.710 272 HB2 GLN 47 2HB GLN 47 -17.782 10.513 8.254 273 HB3 GLN 47 1HB GLN 47 -18.507 11.537 9.474 274 HG2 GLN 47 2HG GLN 47 -19.059 9.172 9.807 275 HG3 GLN 47 1HG GLN 47 -20.494 10.140 9.516 276 HE21 GLN 47 1HE2 GLN 47 -21.694 9.761 7.668 277 HE22 GLN 47 2HE2 GLN 47 -21.437 8.378 6.665 278 H ALA 48 H ALA 48 -17.757 12.722 5.718 279 HA ALA 48 HA ALA 48 -16.926 15.080 7.169 280 HB1 ALA 48 1HB ALA 48 -15.260 13.829 5.851 281 HB2 ALA 48 2HB ALA 48 -15.445 15.472 5.237 282 HB3 ALA 48 3HB ALA 48 -16.199 14.124 4.387 283 H GLY 49 H GLY 49 -19.237 14.100 4.877 284 HA2 GLY 49 2HA GLY 49 -21.168 15.456 4.735 285 HA3 GLY 49 1HA GLY 49 -20.143 16.886 4.709 286 H LEU 50 H LEU 50 -19.503 14.046 2.722 287 HA LEU 50 HA LEU 50 -19.740 15.582 0.295 288 HB2 LEU 50 2HB LEU 50 -19.487 12.626 0.708 289 HB3 LEU 50 1HB LEU 50 -19.504 13.412 -0.850 290 HG LEU 50 HG LEU 50 -17.373 13.727 1.273 291 HD11 LEU 50 1HD1 LEU 50 -17.484 11.599 0.084 292 HD12 LEU 50 2HD1 LEU 50 -16.037 12.549 -0.336 293 HD13 LEU 50 3HD1 LEU 50 -17.437 12.507 -1.428 294 HD21 LEU 50 1HD2 LEU 50 -17.790 15.774 -0.171 295 HD22 LEU 50 2HD2 LEU 50 -17.292 14.774 -1.561 296 HD23 LEU 50 3HD2 LEU 50 -16.189 15.074 -0.207 297 H ASP 51 H ASP 51 -21.685 16.304 -0.239 298 HA ASP 51 HA ASP 51 -24.077 14.810 0.078 299 HB2 ASP 51 2HB ASP 51 -25.156 16.452 -1.369 300 HB3 ASP 51 1HB ASP 51 -24.072 17.306 -0.281 301 H SER 52 H SER 52 -25.375 14.102 -1.910 302 HA SER 52 HA SER 52 -23.644 12.200 -3.057 303 HB2 SER 52 2HB SER 52 -26.596 12.474 -3.478 304 HB3 SER 52 1HB SER 52 -25.523 11.164 -4.034 305 HG SER 52 HG SER 52 -25.194 11.729 -1.399 306 H ILE 53 H ILE 53 -24.488 15.287 -4.314 307 HA ILE 53 HA ILE 53 -24.092 14.242 -7.002 308 HB ILE 53 HB ILE 53 -24.286 17.169 -6.196 309 HG12 ILE 53 2HG1 ILE 53 -26.419 16.014 -5.726 310 HG13 ILE 53 1HG1 ILE 53 -26.593 17.102 -7.095 311 HG21 ILE 53 1HG2 ILE 53 -23.070 16.732 -8.320 312 HG22 ILE 53 2HG2 ILE 53 -24.591 17.566 -8.635 313 HG23 ILE 53 3HG2 ILE 53 -24.443 15.832 -8.923 314 HD11 ILE 53 1HD1 ILE 53 -26.282 14.104 -7.233 315 HD12 ILE 53 2HD1 ILE 53 -26.429 15.182 -8.619 316 HD13 ILE 53 3HD1 ILE 53 -27.770 15.017 -7.486 317 H ARG 54 H ARG 54 -22.496 16.054 -4.491 318 HA ARG 54 HA ARG 54 -20.085 16.572 -5.852 319 HB2 ARG 54 2HB ARG 54 -20.994 17.406 -3.603 320 HB3 ARG 54 1HB ARG 54 -20.328 15.932 -2.928 321 HG2 ARG 54 2HG ARG 54 -18.098 16.597 -3.621 322 HG3 ARG 54 1HG ARG 54 -18.755 18.054 -4.376 323 HD2 ARG 54 2HD ARG 54 -18.678 17.342 -1.455 324 HD3 ARG 54 1HD ARG 54 -17.959 18.744 -2.244 325 HE ARG 54 HE ARG 54 -20.887 18.385 -2.209 326 HH11 ARG 54 1HH1 ARG 54 -18.125 20.499 -1.396 327 HH12 ARG 54 2HH1 ARG 54 -19.123 21.710 -0.792 328 HH21 ARG 54 1HH2 ARG 54 -22.126 19.894 -1.468 329 HH22 ARG 54 2HH2 ARG 54 -21.584 21.397 -0.816 330 H LEU 55 H LEU 55 -21.433 13.885 -4.230 331 HA LEU 55 HA LEU 55 -19.194 12.137 -4.159 332 HB2 LEU 55 2HB LEU 55 -21.603 12.097 -2.939 333 HB3 LEU 55 1HB LEU 55 -22.029 11.291 -4.391 334 HG LEU 55 HG LEU 55 -20.542 9.445 -3.960 335 HD11 LEU 55 1HD1 LEU 55 -19.345 9.276 -1.873 336 HD12 LEU 55 2HD1 LEU 55 -19.833 10.912 -1.433 337 HD13 LEU 55 3HD1 LEU 55 -18.750 10.655 -2.804 338 HD21 LEU 55 1HD2 LEU 55 -21.643 8.574 -1.997 339 HD22 LEU 55 2HD2 LEU 55 -22.785 9.418 -3.044 340 HD23 LEU 55 3HD2 LEU 55 -22.189 10.196 -1.574 341 H MET 56 H MET 56 -22.074 12.410 -6.260 342 HA MET 56 HA MET 56 -21.270 10.310 -7.993 343 HB2 MET 56 2HB MET 56 -23.617 10.830 -7.503 344 HB3 MET 56 1HB MET 56 -23.463 12.336 -8.387 345 HG2 MET 56 2HG MET 56 -23.108 11.156 -10.449 346 HG3 MET 56 1HG MET 56 -23.062 9.611 -9.603 347 HE1 MET 56 HE1 MET 56 -25.121 8.555 -8.365 348 HE2 MET 56 HE2 MET 56 -26.749 9.228 -8.376 349 HE3 MET 56 HE3 MET 56 -25.474 10.028 -7.462 350 H ARG 57 H ARG 57 -20.682 13.726 -8.061 351 HA ARG 57 HA ARG 57 -20.205 13.858 -10.759 352 HB2 ARG 57 2HB ARG 57 -18.759 15.848 -10.345 353 HB3 ARG 57 1HB ARG 57 -20.315 15.927 -9.542 354 HG2 ARG 57 2HG ARG 57 -19.367 15.597 -7.440 355 HG3 ARG 57 1HG ARG 57 -17.862 14.986 -8.121 356 HD2 ARG 57 2HD ARG 57 -18.865 17.813 -8.423 357 HD3 ARG 57 1HD ARG 57 -17.623 17.294 -7.274 358 HE ARG 57 HE ARG 57 -17.423 17.319 -10.186 359 HH11 ARG 57 1HH1 ARG 57 -15.862 17.327 -7.034 360 HH12 ARG 57 2HH1 ARG 57 -14.313 16.961 -7.571 361 HH21 ARG 57 1HH2 ARG 57 -15.225 16.896 -11.047 362 HH22 ARG 57 2HH2 ARG 57 -13.915 16.758 -9.963 363 H TRP 58 H TRP 58 -18.343 12.599 -8.085 364 HA TRP 58 HA TRP 58 -15.837 12.385 -9.368 365 HB2 TRP 58 2HB TRP 58 -16.993 11.052 -6.934 366 HB3 TRP 58 1HB TRP 58 -15.396 10.659 -7.539 367 HD1 TRP 58 HD1 TRP 58 -16.725 12.520 -4.825 368 HE1 TRP 58 HE1 TRP 58 -15.246 14.427 -4.128 369 HE3 TRP 58 HE3 TRP 58 -13.906 12.949 -9.095 370 HZ2 TRP 58 HZ2 TRP 58 -13.073 15.972 -5.242 371 HZ3 TRP 58 HZ3 TRP 58 -12.182 14.677 -9.179 372 HH2 TRP 58 HH2 TRP 58 -11.788 16.153 -7.304 373 H LEU 59 H LEU 59 -18.646 10.346 -9.168 374 HA LEU 59 HA LEU 59 -17.590 7.913 -10.074 375 HB2 LEU 59 2HB LEU 59 -19.870 8.141 -9.184 376 HB3 LEU 59 1HB LEU 59 -20.321 9.098 -10.578 377 HG LEU 59 HG LEU 59 -19.993 7.157 -12.022 378 HD11 LEU 59 1HD1 LEU 59 -19.743 4.925 -11.036 379 HD12 LEU 59 2HD1 LEU 59 -19.510 5.659 -9.448 380 HD13 LEU 59 3HD1 LEU 59 -18.335 5.940 -10.734 381 HD21 LEU 59 1HD2 LEU 59 -21.969 5.905 -11.274 382 HD22 LEU 59 2HD2 LEU 59 -22.204 7.648 -11.157 383 HD23 LEU 59 3HD2 LEU 59 -21.873 6.705 -9.706 384 H HIS 60 H HIS 60 -18.667 10.722 -11.792 385 HA HIS 60 HA HIS 60 -18.390 9.667 -14.417 386 HB2 HIS 60 2HB HIS 60 -18.530 12.512 -13.391 387 HB3 HIS 60 1HB HIS 60 -18.488 12.097 -15.099 388 HD1 HIS 60 HD1 HIS 60 -20.802 11.837 -12.050 389 HD2 HIS 60 HD2 HIS 60 -20.859 11.243 -16.176 390 HE1 HIS 60 HE1 HIS 60 -23.201 11.536 -12.690 391 H TRP 61 H TRP 61 -16.389 11.635 -12.311 392 HA TRP 61 HA TRP 61 -14.196 12.218 -13.916 393 HB2 TRP 61 2HB TRP 61 -14.653 13.159 -11.664 394 HB3 TRP 61 1HB TRP 61 -14.323 11.599 -10.949 395 HD1 TRP 61 HD1 TRP 61 -12.659 14.812 -12.010 396 HE1 TRP 61 HE1 TRP 61 -10.160 14.741 -11.363 397 HE3 TRP 61 HE3 TRP 61 -12.245 9.855 -10.843 398 HZ2 TRP 61 HZ2 TRP 61 -8.282 12.828 -10.520 399 HZ3 TRP 61 HZ3 TRP 61 -10.069 8.998 -10.117 400 HH2 TRP 61 HH2 TRP 61 -8.127 10.450 -9.971 401 H PHE 62 H PHE 62 -14.637 9.468 -11.684 402 HA PHE 62 HA PHE 62 -12.263 8.088 -12.134 403 HB2 PHE 62 2HB PHE 62 -14.989 6.997 -11.480 404 HB3 PHE 62 1HB PHE 62 -13.547 6.003 -11.543 405 HD1 PHE 62 HD1 PHE 62 -15.693 7.547 -9.396 406 HD2 PHE 62 HD2 PHE 62 -11.539 7.183 -10.160 407 HE1 PHE 62 HE1 PHE 62 -15.229 8.053 -7.040 408 HE2 PHE 62 HE2 PHE 62 -11.065 7.689 -7.805 409 HZ PHE 62 HZ PHE 62 -12.892 8.117 -6.250 410 H ARG 63 H ARG 63 -15.316 7.705 -13.789 411 HA ARG 63 HA ARG 63 -14.194 5.649 -15.405 412 HB2 ARG 63 2HB ARG 63 -16.954 6.873 -15.482 413 HB3 ARG 63 1HB ARG 63 -16.427 5.478 -16.441 414 HG2 ARG 63 2HG ARG 63 -15.933 4.257 -14.401 415 HG3 ARG 63 1HG ARG 63 -16.467 5.636 -13.446 416 HD2 ARG 63 2HD ARG 63 -18.710 5.410 -14.371 417 HD3 ARG 63 1HD ARG 63 -18.172 4.047 -15.359 418 HE ARG 63 HE ARG 63 -17.687 3.774 -12.535 419 HH11 ARG 63 1HH1 ARG 63 -20.012 3.115 -15.120 420 HH12 ARG 63 2HH1 ARG 63 -20.766 1.822 -14.304 421 HH21 ARG 63 1HH2 ARG 63 -18.674 2.039 -11.438 422 HH22 ARG 63 2HH2 ARG 63 -19.959 1.178 -12.066 423 H LYS 64 H LYS 64 -14.263 8.992 -15.668 424 HA LYS 64 HA LYS 64 -13.781 8.904 -18.512 425 HB2 LYS 64 2HB LYS 64 -13.720 11.155 -16.541 426 HB3 LYS 64 1HB LYS 64 -13.191 11.338 -18.203 427 HG2 LYS 64 2HG LYS 64 -15.954 10.403 -17.438 428 HG3 LYS 64 1HG LYS 64 -15.544 12.090 -17.694 429 HD2 LYS 64 2HD LYS 64 -16.321 11.620 -19.796 430 HD3 LYS 64 1HD LYS 64 -14.660 11.120 -20.027 431 HE2 LYS 64 2HE LYS 64 -16.891 9.198 -19.297 432 HE3 LYS 64 1HE LYS 64 -16.476 9.585 -20.953 433 HZ1 LYS 64 1HZ LYS 64 -14.142 8.712 -20.292 434 HZ2 LYS 64 2HZ LYS 64 -15.387 7.639 -20.565 435 HZ3 LYS 64 3HZ LYS 64 -14.947 7.947 -18.995 436 H ASN 65 H ASN 65 -11.874 9.242 -15.599 437 HA ASN 65 HA ASN 65 -9.436 9.546 -17.055 438 HB2 ASN 65 2HB ASN 65 -10.013 9.065 -14.130 439 HB3 ASN 65 1HB ASN 65 -8.378 9.186 -14.763 440 HD21 ASN 65 1HD2 ASN 65 -7.957 11.006 -13.508 441 HD22 ASN 65 2HD2 ASN 65 -8.621 12.546 -13.915 442 H GLY 66 H GLY 66 -11.297 6.880 -16.321 443 HA2 GLY 66 2HA GLY 66 -10.826 4.770 -17.376 444 HA3 GLY 66 1HA GLY 66 -9.116 5.164 -17.302 445 H TYR 67 H TYR 67 -11.461 5.336 -14.685 446 HA TYR 67 HA TYR 67 -9.983 3.189 -13.446 447 HB2 TYR 67 2HB TYR 67 -11.144 5.633 -12.138 448 HB3 TYR 67 1HB TYR 67 -10.601 4.217 -11.224 449 HD1 TYR 67 HD1 TYR 67 -8.259 3.479 -11.374 450 HD2 TYR 67 HD2 TYR 67 -9.559 7.140 -13.072 451 HE1 TYR 67 HE1 TYR 67 -5.926 4.196 -11.568 452 HE2 TYR 67 HE2 TYR 67 -7.202 7.882 -13.278 453 HH TYR 67 HH TYR 67 -5.071 7.409 -12.436 454 H ARG 68 H ARG 68 -11.334 2.253 -11.528 455 HA ARG 68 HA ARG 68 -13.778 1.336 -12.921 456 HB2 ARG 68 2HB ARG 68 -11.973 -0.148 -13.539 457 HB3 ARG 68 1HB ARG 68 -11.566 -0.389 -11.851 458 HG2 ARG 68 2HG ARG 68 -13.800 -1.401 -11.534 459 HG3 ARG 68 1HG ARG 68 -14.022 -1.336 -13.290 460 HD2 ARG 68 2HD ARG 68 -11.963 -2.678 -13.572 461 HD3 ARG 68 1HD ARG 68 -11.805 -2.766 -11.819 462 HE ARG 68 HE ARG 68 -14.250 -3.758 -13.003 463 HH11 ARG 68 1HH1 ARG 68 -11.142 -4.508 -11.405 464 HH12 ARG 68 2HH1 ARG 68 -11.446 -6.152 -11.223 465 HH21 ARG 68 1HH2 ARG 68 -14.687 -6.097 -12.738 466 HH22 ARG 68 2HH2 ARG 68 -13.524 -7.090 -12.000 467 H LEU 69 H LEU 69 -15.125 2.287 -11.357 468 HA LEU 69 HA LEU 69 -15.720 0.554 -9.230 469 HB2 LEU 69 2HB LEU 69 -15.506 2.138 -7.335 470 HB3 LEU 69 1HB LEU 69 -13.962 1.665 -7.999 471 HG LEU 69 HG LEU 69 -15.245 4.327 -8.663 472 HD11 LEU 69 1HD1 LEU 69 -13.276 3.664 -6.476 473 HD12 LEU 69 2HD1 LEU 69 -14.969 4.103 -6.253 474 HD13 LEU 69 3HD1 LEU 69 -13.838 5.280 -6.922 475 HD21 LEU 69 1HD2 LEU 69 -13.428 3.567 -10.142 476 HD22 LEU 69 2HD2 LEU 69 -12.383 3.357 -8.736 477 HD23 LEU 69 3HD2 LEU 69 -12.949 4.967 -9.183 478 H THR 70 H THR 70 -17.729 1.240 -8.067 479 HA THR 70 HA THR 70 -19.149 3.253 -9.603 480 HB THR 70 HB THR 70 -20.443 1.010 -8.033 481 HG1 THR 70 1HG THR 70 -19.381 -0.147 -9.318 482 HG21 THR 70 1HG2 THR 70 -22.283 1.352 -9.644 483 HG22 THR 70 2HG2 THR 70 -21.334 2.589 -10.467 484 HG23 THR 70 3HG2 THR 70 -21.887 2.856 -8.813 485 H LEU 71 H LEU 71 -20.835 4.249 -8.179 486 HA LEU 71 HA LEU 71 -19.460 5.416 -5.963 487 HB2 LEU 71 2HB LEU 71 -21.094 6.392 -7.713 488 HB3 LEU 71 1HB LEU 71 -22.232 5.704 -6.557 489 HG LEU 71 HG LEU 71 -21.396 7.084 -4.779 490 HD11 LEU 71 1HD1 LEU 71 -19.184 7.431 -5.218 491 HD12 LEU 71 2HD1 LEU 71 -19.837 9.024 -5.725 492 HD13 LEU 71 3HD1 LEU 71 -19.535 7.732 -6.896 493 HD21 LEU 71 1HD2 LEU 71 -22.138 8.614 -7.265 494 HD22 LEU 71 2HD2 LEU 71 -22.188 9.257 -5.625 495 HD23 LEU 71 3HD2 LEU 71 -23.256 7.929 -6.086 496 H ARG 72 H ARG 72 -21.790 2.871 -6.331 497 HA ARG 72 HA ARG 72 -23.249 3.405 -3.933 498 HB2 ARG 72 2HB ARG 72 -23.144 0.921 -5.640 499 HB3 ARG 72 1HB ARG 72 -24.278 1.183 -4.323 500 HG2 ARG 72 2HG ARG 72 -24.074 2.720 -6.904 501 HG3 ARG 72 1HG ARG 72 -25.338 1.573 -6.450 502 HD2 ARG 72 2HD ARG 72 -25.922 2.996 -4.573 503 HD3 ARG 72 1HD ARG 72 -24.686 4.148 -5.084 504 HE ARG 72 HE ARG 72 -26.688 3.495 -7.064 505 HH11 ARG 72 1HH1 ARG 72 -25.720 5.824 -4.565 506 HH12 ARG 72 2HH1 ARG 72 -26.702 7.087 -5.072 507 HH21 ARG 72 1HH2 ARG 72 -28.125 5.264 -7.829 508 HH22 ARG 72 2HH2 ARG 72 -28.135 6.745 -7.002 509 H GLU 73 H GLU 73 -20.472 1.776 -4.778 510 HA GLU 73 HA GLU 73 -20.207 0.144 -2.399 511 HB2 GLU 73 2HB GLU 73 -17.996 1.073 -4.249 512 HB3 GLU 73 1HB GLU 73 -17.907 -0.252 -3.103 513 HG2 GLU 73 2HG GLU 73 -18.224 -1.384 -5.057 514 HG3 GLU 73 1HG GLU 73 -19.892 -1.155 -4.467 515 H LEU 74 H LEU 74 -19.271 3.135 -3.484 516 HA LEU 74 HA LEU 74 -17.475 3.907 -1.418 517 HB2 LEU 74 2HB LEU 74 -18.996 5.717 -3.291 518 HB3 LEU 74 1HB LEU 74 -17.589 6.165 -2.342 519 HG LEU 74 HG LEU 74 -17.683 4.217 -4.637 520 HD11 LEU 74 1HD1 LEU 74 -16.397 6.907 -4.316 521 HD12 LEU 74 2HD1 LEU 74 -17.639 6.417 -5.487 522 HD13 LEU 74 3HD1 LEU 74 -16.014 5.784 -5.607 523 HD21 LEU 74 1HD2 LEU 74 -15.256 3.988 -4.318 524 HD22 LEU 74 2HD2 LEU 74 -16.190 3.340 -2.977 525 HD23 LEU 74 3HD2 LEU 74 -15.390 4.905 -2.819 526 H TYR 75 H TYR 75 -20.876 3.856 -1.553 527 HA TYR 75 HA TYR 75 -21.291 5.664 0.684 528 HB2 TYR 75 2HB TYR 75 -23.081 3.663 -0.673 529 HB3 TYR 75 1HB TYR 75 -23.558 4.511 0.789 530 HD1 TYR 75 HD1 TYR 75 -24.409 6.714 0.670 531 HD2 TYR 75 HD2 TYR 75 -22.775 4.877 -2.778 532 HE1 TYR 75 HE1 TYR 75 -25.453 8.440 -0.718 533 HE2 TYR 75 HE2 TYR 75 -23.807 6.586 -4.197 534 HH TYR 75 HH TYR 75 -25.298 9.404 -2.878 535 H ALA 76 H ALA 76 -21.074 2.205 0.095 536 HA ALA 76 HA ALA 76 -21.844 1.341 2.684 537 HB1 ALA 76 1HB ALA 76 -20.259 -0.127 0.574 538 HB2 ALA 76 2HB ALA 76 -22.018 -0.103 0.707 539 HB3 ALA 76 3HB ALA 76 -21.048 -0.859 1.971 540 H ALA 77 H ALA 77 -18.735 1.794 1.111 541 HA ALA 77 HA ALA 77 -17.561 1.915 3.785 542 HB1 ALA 77 1HB ALA 77 -16.743 -0.105 2.636 543 HB2 ALA 77 2HB ALA 77 -15.449 1.076 2.842 544 HB3 ALA 77 3HB ALA 77 -16.222 0.884 1.270 545 HA PRO 78 HA PRO 78 -16.953 5.777 1.579 546 HB2 PRO 78 2HB PRO 78 -17.914 7.458 3.445 547 HB3 PRO 78 1HB PRO 78 -18.974 6.549 2.345 548 HG2 PRO 78 2HG PRO 78 -18.568 6.178 5.213 549 HG3 PRO 78 1HG PRO 78 -19.896 5.629 4.175 550 HD2 PRO 78 2HD PRO 78 -17.636 4.109 5.108 551 HD3 PRO 78 1HD PRO 78 -19.005 3.565 4.118 552 H THR 79 H THR 79 -14.712 5.243 1.922 553 HA THR 79 HA THR 79 -13.523 7.134 3.758 554 HB THR 79 HB THR 79 -11.628 5.412 3.994 555 HG1 THR 79 1HG THR 79 -13.257 3.301 4.032 556 HG21 THR 79 1HG2 THR 79 -14.223 4.867 5.421 557 HG22 THR 79 2HG2 THR 79 -13.093 6.173 5.780 558 HG23 THR 79 3HG2 THR 79 -12.578 4.495 6.005 559 H LEU 80 H LEU 80 -11.696 7.955 3.021 560 HA LEU 80 HA LEU 80 -11.479 8.383 0.280 561 HB2 LEU 80 2HB LEU 80 -10.921 9.815 2.018 562 HB3 LEU 80 1HB LEU 80 -9.606 8.765 2.520 563 HG LEU 80 HG LEU 80 -8.522 9.251 0.300 564 HD11 LEU 80 1HD1 LEU 80 -9.344 11.184 -0.965 565 HD12 LEU 80 2HD1 LEU 80 -10.708 11.318 0.136 566 HD13 LEU 80 3HD1 LEU 80 -10.556 9.905 -0.913 567 HD21 LEU 80 1HD2 LEU 80 -9.185 11.560 2.030 568 HD22 LEU 80 2HD2 LEU 80 -7.842 11.515 0.873 569 HD23 LEU 80 3HD2 LEU 80 -7.844 10.436 2.283 570 H ALA 81 H ALA 81 -9.971 5.986 2.344 571 HA ALA 81 HA ALA 81 -8.010 5.137 0.458 572 HB1 ALA 81 1HB ALA 81 -7.636 3.262 1.961 573 HB2 ALA 81 2HB ALA 81 -9.099 3.668 2.856 574 HB3 ALA 81 3HB ALA 81 -7.723 4.770 2.872 575 H ALA 82 H ALA 82 -11.314 4.123 1.274 576 HA ALA 82 HA ALA 82 -11.286 1.680 -0.097 577 HB1 ALA 82 1HB ALA 82 -13.093 2.252 1.443 578 HB2 ALA 82 2HB ALA 82 -13.729 1.847 -0.162 579 HB3 ALA 82 3HB ALA 82 -13.625 3.528 0.346 580 H TRP 83 H TRP 83 -12.225 4.898 -1.167 581 HA TRP 83 HA TRP 83 -13.063 4.249 -3.788 582 HB2 TRP 83 2HB TRP 83 -11.630 6.844 -3.044 583 HB3 TRP 83 1HB TRP 83 -12.721 6.549 -4.390 584 HD1 TRP 83 HD1 TRP 83 -13.872 5.499 -0.909 585 HE1 TRP 83 HE1 TRP 83 -15.838 6.952 -0.286 586 HE3 TRP 83 HE3 TRP 83 -13.510 8.905 -4.659 587 HZ2 TRP 83 HZ2 TRP 83 -17.058 9.345 -1.215 588 HZ3 TRP 83 HZ3 TRP 83 -15.084 10.767 -4.710 589 HH2 TRP 83 HH2 TRP 83 -16.813 10.993 -3.032 590 H ASN 84 H ASN 84 -9.986 5.023 -2.400 591 HA ASN 84 HA ASN 84 -8.401 5.139 -4.723 592 HB2 ASN 84 2HB ASN 84 -7.745 6.138 -2.582 593 HB3 ASN 84 1HB ASN 84 -7.656 4.541 -1.856 594 HD21 ASN 84 1HD2 ASN 84 -5.476 4.986 -1.270 595 HD22 ASN 84 2HD2 ASN 84 -4.255 4.913 -2.492 596 H GLN 85 H GLN 85 -8.831 2.558 -2.314 597 HA GLN 85 HA GLN 85 -7.178 0.644 -3.529 598 HB2 GLN 85 2HB GLN 85 -9.579 0.227 -1.746 599 HB3 GLN 85 1HB GLN 85 -8.413 -1.021 -2.159 600 HG2 GLN 85 2HG GLN 85 -6.649 0.220 -1.054 601 HG3 GLN 85 1HG GLN 85 -7.771 1.533 -0.703 602 HE21 GLN 85 1HE2 GLN 85 -6.798 -1.684 0.106 603 HE22 GLN 85 2HE2 GLN 85 -7.715 -1.781 1.575 604 H LEU 86 H LEU 86 -10.517 1.447 -4.089 605 HA LEU 86 HA LEU 86 -11.141 -0.763 -5.711 606 HB2 LEU 86 2HB LEU 86 -12.363 1.967 -5.524 607 HB3 LEU 86 1HB LEU 86 -13.051 0.632 -6.440 608 HG LEU 86 HG LEU 86 -12.540 0.557 -3.467 609 HD11 LEU 86 1HD1 LEU 86 -14.935 0.772 -3.218 610 HD12 LEU 86 2HD1 LEU 86 -15.075 1.022 -4.973 611 HD13 LEU 86 3HD1 LEU 86 -14.203 2.188 -3.964 612 HD21 LEU 86 1HD2 LEU 86 -13.996 -1.413 -3.529 613 HD22 LEU 86 2HD2 LEU 86 -12.530 -1.652 -4.472 614 HD23 LEU 86 3HD2 LEU 86 -14.060 -1.309 -5.287 615 H MET 87 H MET 87 -9.400 2.152 -6.293 616 HA MET 87 HA MET 87 -9.639 2.045 -9.162 617 HB2 MET 87 2HB MET 87 -7.781 3.678 -7.424 618 HB3 MET 87 1HB MET 87 -7.988 3.884 -9.163 619 HG2 MET 87 2HG MET 87 -10.272 4.506 -8.875 620 HG3 MET 87 1HG MET 87 -10.198 4.135 -7.158 621 HE1 MET 87 HE1 MET 87 -9.396 6.542 -9.989 622 HE2 MET 87 HE2 MET 87 -7.685 6.420 -9.541 623 HE3 MET 87 HE3 MET 87 -8.594 7.906 -9.193 624 H LEU 88 H LEU 88 -7.286 1.069 -6.728 625 HA LEU 88 HA LEU 88 -5.447 -0.031 -8.627 626 HB2 LEU 88 2HB LEU 88 -5.859 -0.755 -5.700 627 HB3 LEU 88 1HB LEU 88 -4.610 -1.457 -6.693 628 HG LEU 88 HG LEU 88 -3.496 0.155 -5.389 629 HD11 LEU 88 1HD1 LEU 88 -2.733 1.844 -6.881 630 HD12 LEU 88 2HD1 LEU 88 -4.007 1.406 -8.019 631 HD13 LEU 88 3HD1 LEU 88 -2.767 0.230 -7.577 632 HD21 LEU 88 1HD2 LEU 88 -5.419 1.351 -4.506 633 HD22 LEU 88 2HD2 LEU 88 -5.661 2.133 -6.067 634 HD23 LEU 88 3HD2 LEU 88 -4.206 2.470 -5.128 635 H SER 89 H SER 89 -8.513 -0.949 -7.678 636 HA SER 89 HA SER 89 -8.174 -3.733 -8.347 637 HB2 SER 89 2HB SER 89 -10.687 -2.145 -7.758 638 HB3 SER 89 1HB SER 89 -10.582 -3.903 -7.878 639 HG SER 89 HG SER 89 -9.195 -2.292 -5.966 640 H ARG 90 H ARG 90 -8.289 -0.940 -10.186 641 HA ARG 90 HA ARG 90 -9.976 -1.792 -12.255 642 HB2 ARG 90 2HB ARG 90 -9.545 0.561 -11.856 643 HB3 ARG 90 1HB ARG 90 -7.823 0.312 -12.043 644 HG2 ARG 90 2HG ARG 90 -9.516 -0.436 -14.293 645 HG3 ARG 90 1HG ARG 90 -9.408 1.296 -13.906 646 HD2 ARG 90 2HD ARG 90 -7.015 -0.515 -14.347 647 HD3 ARG 90 1HD ARG 90 -7.709 0.491 -15.616 648 HE ARG 90 HE ARG 90 -7.010 2.402 -14.486 649 HH11 ARG 90 1HH1 ARG 90 -5.785 -0.545 -12.838 650 HH12 ARG 90 2HH1 ARG 90 -4.523 0.325 -12.058 651 HH21 ARG 90 1HH2 ARG 90 -5.080 3.448 -13.367 652 HH22 ARG 90 2HH2 ARG 90 -4.165 2.406 -12.338 653 H SER 91 H SER 91 -6.584 -2.014 -11.556 654 HA SER 91 HA SER 91 -6.200 -4.269 -13.219 655 HB2 SER 91 2HB SER 91 -4.770 -1.689 -14.024 656 HB3 SER 91 1HB SER 91 -4.470 -3.284 -14.709 657 HG SER 91 HG SER 91 -7.035 -2.884 -14.951 658 HA PRO 92 HA PRO 92 -3.237 -4.772 -9.941 659 HB2 PRO 92 2HB PRO 92 -1.423 -5.993 -11.954 660 HB3 PRO 92 1HB PRO 92 -2.044 -6.686 -10.441 661 HG2 PRO 92 2HG PRO 92 -2.976 -7.532 -12.750 662 HG3 PRO 92 1HG PRO 92 -4.055 -7.298 -11.358 663 HD2 PRO 92 2HD PRO 92 -3.705 -5.569 -13.762 664 HD3 PRO 92 1HD PRO 92 -5.180 -6.001 -12.873 665 H GLU 93 H GLU 93 -1.659 -3.543 -9.084 666 HA GLU 93 HA GLU 93 0.292 -2.185 -10.672 667 HB2 GLU 93 2HB GLU 93 -1.745 -0.863 -8.862 668 HB3 GLU 93 1HB GLU 93 -0.236 -0.099 -9.314 669 HG2 GLU 93 2HG GLU 93 -0.973 -0.082 -11.653 670 HG3 GLU 93 1HG GLU 93 -2.485 -0.852 -11.170 Start of MODEL 19 1 H ASP 14 1H ASP 14 -2.807 -5.343 -9.020 2 HA ASP 14 HA ASP 14 -3.632 -3.205 -7.220 3 HB2 ASP 14 2HB ASP 14 -1.876 -4.826 -6.353 4 HB3 ASP 14 1HB ASP 14 -0.895 -4.386 -7.749 5 H ASN 15 H ASN 15 -3.042 -1.180 -8.062 6 HA ASN 15 HA ASN 15 -1.668 -1.030 -10.589 7 HB2 ASN 15 2HB ASN 15 -4.582 -0.227 -10.337 8 HB3 ASN 15 1HB ASN 15 -3.523 0.404 -11.579 9 HD21 ASN 15 1HD2 ASN 15 -5.316 -2.360 -10.463 10 HD22 ASN 15 2HD2 ASN 15 -5.128 -3.271 -11.930 11 H ARG 16 H ARG 16 -0.323 0.575 -10.275 12 HA ARG 16 HA ARG 16 -0.921 2.624 -8.301 13 HB2 ARG 16 2HB ARG 16 1.485 1.539 -9.478 14 HB3 ARG 16 1HB ARG 16 1.496 3.299 -9.490 15 HG2 ARG 16 2HG ARG 16 2.527 2.363 -7.460 16 HG3 ARG 16 1HG ARG 16 1.129 3.373 -7.109 17 HD2 ARG 16 2HD ARG 16 -0.255 1.310 -6.849 18 HD3 ARG 16 1HD ARG 16 1.191 0.345 -7.146 19 HE ARG 16 HE ARG 16 1.644 2.186 -5.067 20 HH11 ARG 16 1HH1 ARG 16 0.055 -0.931 -5.724 21 HH12 ARG 16 2HH1 ARG 16 0.004 -1.451 -4.185 22 HH21 ARG 16 1HH2 ARG 16 1.646 1.433 -2.784 23 HH22 ARG 16 2HH2 ARG 16 0.960 -0.096 -2.443 24 H HIS 17 H HIS 17 -2.154 2.356 -11.045 25 HA HIS 17 HA HIS 17 -1.808 4.864 -12.306 26 HB2 HIS 17 2HB HIS 17 -4.273 3.090 -12.230 27 HB3 HIS 17 1HB HIS 17 -3.998 4.401 -13.369 28 HD1 HIS 17 HD1 HIS 17 -4.425 1.287 -14.030 29 HD2 HIS 17 HD2 HIS 17 -0.861 3.409 -14.102 30 HE1 HIS 17 HE1 HIS 17 -2.850 -0.022 -15.523 31 H ALA 18 H ALA 18 -3.320 3.770 -9.489 32 HA ALA 18 HA ALA 18 -5.225 5.576 -8.724 33 HB1 ALA 18 1HB ALA 18 -4.635 5.039 -6.445 34 HB2 ALA 18 2HB ALA 18 -3.077 4.408 -6.984 35 HB3 ALA 18 3HB ALA 18 -4.568 3.600 -7.462 36 H ALA 19 H ALA 19 -1.903 6.239 -9.232 37 HA ALA 19 HA ALA 19 -1.433 8.483 -7.686 38 HB1 ALA 19 1HB ALA 19 -0.590 8.003 -10.546 39 HB2 ALA 19 2HB ALA 19 0.196 7.328 -9.129 40 HB3 ALA 19 3HB ALA 19 0.208 9.082 -9.389 41 H ASP 20 H ASP 20 -3.445 8.076 -10.548 42 HA ASP 20 HA ASP 20 -3.970 10.797 -11.181 43 HB2 ASP 20 2HB ASP 20 -4.592 8.874 -12.671 44 HB3 ASP 20 1HB ASP 20 -5.808 8.404 -11.490 45 H TYR 21 H TYR 21 -5.430 8.505 -8.957 46 HA TYR 21 HA TYR 21 -7.674 9.976 -8.106 47 HB2 TYR 21 2HB TYR 21 -7.454 7.588 -7.612 48 HB3 TYR 21 1HB TYR 21 -6.058 7.907 -6.593 49 HD1 TYR 21 HD1 TYR 21 -9.688 8.440 -6.900 50 HD2 TYR 21 HD2 TYR 21 -6.361 8.508 -4.245 51 HE1 TYR 21 HE1 TYR 21 -11.196 8.683 -5.006 52 HE2 TYR 21 HE2 TYR 21 -7.871 8.733 -2.356 53 HH TYR 21 HH TYR 21 -11.193 8.230 -2.589 54 H GLN 22 H GLN 22 -4.351 10.332 -7.398 55 HA GLN 22 HA GLN 22 -4.752 11.577 -4.884 56 HB2 GLN 22 2HB GLN 22 -2.292 11.778 -6.627 57 HB3 GLN 22 1HB GLN 22 -2.388 12.082 -4.893 58 HG2 GLN 22 2HG GLN 22 -2.741 9.441 -6.296 59 HG3 GLN 22 1HG GLN 22 -1.417 9.910 -5.232 60 HE21 GLN 22 1HE2 GLN 22 -3.429 7.723 -5.178 61 HE22 GLN 22 2HE2 GLN 22 -4.169 7.774 -3.631 62 H GLN 23 H GLN 23 -4.936 12.635 -8.147 63 HA GLN 23 HA GLN 23 -4.848 15.429 -7.504 64 HB2 GLN 23 2HB GLN 23 -6.181 14.078 -9.852 65 HB3 GLN 23 1HB GLN 23 -5.864 15.790 -9.692 66 HG2 GLN 23 2HG GLN 23 -3.426 15.236 -9.670 67 HG3 GLN 23 1HG GLN 23 -3.879 13.579 -10.085 68 HE21 GLN 23 1HE2 GLN 23 -2.983 13.603 -12.100 69 HE22 GLN 23 2HE2 GLN 23 -3.613 14.546 -13.402 70 H LEU 24 H LEU 24 -7.320 12.924 -7.865 71 HA LEU 24 HA LEU 24 -9.540 14.581 -7.371 72 HB2 LEU 24 2HB LEU 24 -10.049 12.457 -8.260 73 HB3 LEU 24 1HB LEU 24 -9.233 11.481 -7.087 74 HG LEU 24 HG LEU 24 -11.821 13.032 -6.740 75 HD11 LEU 24 1HD1 LEU 24 -11.257 10.107 -7.136 76 HD12 LEU 24 2HD1 LEU 24 -11.995 11.201 -8.308 77 HD13 LEU 24 3HD1 LEU 24 -12.838 10.813 -6.809 78 HD21 LEU 24 1HD2 LEU 24 -10.546 10.986 -4.913 79 HD22 LEU 24 2HD2 LEU 24 -12.136 11.718 -4.702 80 HD23 LEU 24 3HD2 LEU 24 -10.680 12.712 -4.583 81 H ARG 25 H ARG 25 -7.328 12.937 -5.312 82 HA ARG 25 HA ARG 25 -8.458 13.424 -2.799 83 HB2 ARG 25 2HB ARG 25 -6.400 12.011 -3.482 84 HB3 ARG 25 1HB ARG 25 -5.504 13.513 -3.281 85 HG2 ARG 25 2HG ARG 25 -5.314 12.854 -1.135 86 HG3 ARG 25 1HG ARG 25 -6.993 13.410 -1.004 87 HD2 ARG 25 2HD ARG 25 -7.096 11.324 -0.171 88 HD3 ARG 25 1HD ARG 25 -7.629 11.140 -1.845 89 HE ARG 25 HE ARG 25 -4.975 10.623 -2.003 90 HH11 ARG 25 1HH1 ARG 25 -7.670 9.245 -0.246 91 HH12 ARG 25 2HH1 ARG 25 -6.871 7.789 0.147 92 HH21 ARG 25 1HH2 ARG 25 -3.845 8.608 -1.451 93 HH22 ARG 25 2HH2 ARG 25 -4.689 7.453 -0.480 94 H GLU 26 H GLU 26 -6.039 15.287 -4.680 95 HA GLU 26 HA GLU 26 -5.461 17.379 -3.032 96 HB2 GLU 26 2HB GLU 26 -4.436 16.887 -5.237 97 HB3 GLU 26 1HB GLU 26 -5.898 17.465 -6.017 98 HG2 GLU 26 2HG GLU 26 -5.452 19.635 -4.718 99 HG3 GLU 26 1HG GLU 26 -3.815 18.991 -4.541 100 H ARG 27 H ARG 27 -8.014 17.239 -5.504 101 HA ARG 27 HA ARG 27 -8.998 19.749 -4.583 102 HB2 ARG 27 2HB ARG 27 -10.259 17.950 -6.669 103 HB3 ARG 27 1HB ARG 27 -10.850 19.549 -6.246 104 HG2 ARG 27 2HG ARG 27 -9.582 20.124 -8.058 105 HG3 ARG 27 1HG ARG 27 -8.325 20.209 -6.824 106 HD2 ARG 27 2HD ARG 27 -8.098 17.638 -7.425 107 HD3 ARG 27 1HD ARG 27 -8.779 18.189 -8.950 108 HE ARG 27 HE ARG 27 -6.447 19.603 -7.899 109 HH11 ARG 27 1HH1 ARG 27 -7.704 17.454 -10.411 110 HH12 ARG 27 2HH1 ARG 27 -6.174 17.221 -11.153 111 HH21 ARG 27 1HH2 ARG 27 -4.453 19.264 -8.813 112 HH22 ARG 27 2HH2 ARG 27 -4.225 18.346 -10.230 113 H LEU 28 H LEU 28 -9.640 16.526 -3.656 114 HA LEU 28 HA LEU 28 -12.195 17.038 -2.585 115 HB2 LEU 28 2HB LEU 28 -10.558 14.760 -2.797 116 HB3 LEU 28 1HB LEU 28 -10.724 15.002 -1.083 117 HG LEU 28 HG LEU 28 -13.036 14.780 -3.006 118 HD11 LEU 28 1HD1 LEU 28 -11.831 12.665 -2.759 119 HD12 LEU 28 2HD1 LEU 28 -13.436 12.602 -2.036 120 HD13 LEU 28 3HD1 LEU 28 -12.017 12.780 -1.007 121 HD21 LEU 28 1HD2 LEU 28 -14.421 14.563 -0.989 122 HD22 LEU 28 2HD2 LEU 28 -13.609 16.122 -1.058 123 HD23 LEU 28 3HD2 LEU 28 -13.003 14.860 0.010 124 H ILE 29 H ILE 29 -8.989 17.724 -1.472 125 HA ILE 29 HA ILE 29 -9.538 18.321 1.242 126 HB ILE 29 HB ILE 29 -7.579 19.738 -0.622 127 HG12 ILE 29 2HG1 ILE 29 -7.241 17.229 -0.370 128 HG13 ILE 29 1HG1 ILE 29 -5.865 18.234 0.078 129 HG21 ILE 29 1HG2 ILE 29 -8.022 21.032 1.407 130 HG22 ILE 29 2HG2 ILE 29 -6.372 20.397 1.400 131 HG23 ILE 29 3HG2 ILE 29 -7.609 19.613 2.382 132 HD11 ILE 29 1HD1 ILE 29 -6.213 16.407 1.641 133 HD12 ILE 29 2HD1 ILE 29 -7.852 17.025 1.954 134 HD13 ILE 29 3HD1 ILE 29 -6.447 17.990 2.397 135 H GLN 30 H GLN 30 -9.752 20.173 -1.721 136 HA GLN 30 HA GLN 30 -10.608 22.629 -0.497 137 HB2 GLN 30 2HB GLN 30 -9.284 22.613 -2.537 138 HB3 GLN 30 1HB GLN 30 -10.535 21.711 -3.370 139 HG2 GLN 30 2HG GLN 30 -12.053 23.633 -3.110 140 HG3 GLN 30 1HG GLN 30 -10.745 24.534 -2.346 141 HE21 GLN 30 1HE2 GLN 30 -10.753 26.090 -3.953 142 HE22 GLN 30 2HE2 GLN 30 -10.132 25.759 -5.541 143 H GLU 31 H GLU 31 -12.100 19.920 -2.060 144 HA GLU 31 HA GLU 31 -14.522 20.642 -2.970 145 HB2 GLU 31 2HB GLU 31 -13.550 18.447 -3.117 146 HB3 GLU 31 1HB GLU 31 -13.796 18.185 -1.396 147 HG2 GLU 31 2HG GLU 31 -15.433 16.975 -2.629 148 HG3 GLU 31 1HG GLU 31 -16.227 18.313 -1.801 149 H LEU 32 H LEU 32 -14.046 19.532 0.417 150 HA LEU 32 HA LEU 32 -16.533 20.986 1.069 151 HB2 LEU 32 2HB LEU 32 -15.198 18.710 2.511 152 HB3 LEU 32 1HB LEU 32 -16.663 19.512 3.029 153 HG LEU 32 HG LEU 32 -16.380 17.950 0.470 154 HD11 LEU 32 1HD1 LEU 32 -17.524 17.188 3.146 155 HD12 LEU 32 2HD1 LEU 32 -16.099 16.491 2.363 156 HD13 LEU 32 3HD1 LEU 32 -17.694 16.255 1.665 157 HD21 LEU 32 1HD2 LEU 32 -18.825 18.030 0.475 158 HD22 LEU 32 2HD2 LEU 32 -18.133 19.648 0.401 159 HD23 LEU 32 3HD2 LEU 32 -18.792 19.039 1.921 160 H ASN 33 H ASN 33 -13.580 21.796 0.946 161 HA ASN 33 HA ASN 33 -11.949 22.842 2.121 162 HB2 ASN 33 2HB ASN 33 -13.776 24.589 2.221 163 HB3 ASN 33 1HB ASN 33 -14.267 23.933 3.775 164 HD21 ASN 33 1HD2 ASN 33 -12.954 24.304 5.558 165 HD22 ASN 33 2HD2 ASN 33 -11.731 25.544 5.574 166 H LEU 34 H LEU 34 -11.425 20.689 2.753 167 HA LEU 34 HA LEU 34 -12.050 19.991 5.517 168 HB2 LEU 34 2HB LEU 34 -10.924 18.287 3.281 169 HB3 LEU 34 1HB LEU 34 -11.330 17.726 4.887 170 HG LEU 34 HG LEU 34 -13.296 18.859 2.926 171 HD11 LEU 34 1HD1 LEU 34 -12.855 15.970 3.705 172 HD12 LEU 34 2HD1 LEU 34 -12.382 16.694 2.173 173 HD13 LEU 34 3HD1 LEU 34 -14.081 16.555 2.575 174 HD21 LEU 34 1HD2 LEU 34 -13.705 17.486 5.580 175 HD22 LEU 34 2HD2 LEU 34 -14.988 17.948 4.466 176 HD23 LEU 34 3HD2 LEU 34 -13.995 19.189 5.222 177 H THR 35 H THR 35 -10.546 19.991 7.000 178 HA THR 35 HA THR 35 -7.933 20.987 6.525 179 HB THR 35 HB THR 35 -9.023 19.500 8.940 180 HG1 THR 35 1HG THR 35 -9.697 21.981 7.846 181 HG21 THR 35 1HG2 THR 35 -7.060 21.799 8.682 182 HG22 THR 35 2HG2 THR 35 -6.640 20.124 9.061 183 HG23 THR 35 3HG2 THR 35 -7.593 21.074 10.198 184 HA PRO 36 HA PRO 36 -5.982 17.090 5.247 185 HB2 PRO 36 2HB PRO 36 -3.932 17.765 7.325 186 HB3 PRO 36 1HB PRO 36 -3.689 17.276 5.634 187 HG2 PRO 36 2HG PRO 36 -3.409 19.792 6.282 188 HG3 PRO 36 1HG PRO 36 -4.253 19.342 4.787 189 HD2 PRO 36 2HD PRO 36 -5.387 20.363 7.340 190 HD3 PRO 36 1HD PRO 36 -5.924 20.628 5.670 191 H GLN 37 H GLN 37 -6.319 17.756 8.683 192 HA GLN 37 HA GLN 37 -6.038 15.046 9.540 193 HB2 GLN 37 2HB GLN 37 -7.120 17.494 10.944 194 HB3 GLN 37 1HB GLN 37 -7.020 15.922 11.712 195 HG2 GLN 37 2HG GLN 37 -5.160 17.284 12.412 196 HG3 GLN 37 1HG GLN 37 -4.567 15.963 11.420 197 HE21 GLN 37 1HE2 GLN 37 -2.667 17.050 10.964 198 HE22 GLN 37 2HE2 GLN 37 -2.606 18.415 9.905 199 H GLN 38 H GLN 38 -8.621 16.734 8.044 200 HA GLN 38 HA GLN 38 -10.602 14.851 9.033 201 HB2 GLN 38 2HB GLN 38 -11.202 17.213 9.259 202 HB3 GLN 38 1HB GLN 38 -10.788 17.506 7.581 203 HG2 GLN 38 2HG GLN 38 -13.159 17.477 7.836 204 HG3 GLN 38 1HG GLN 38 -12.602 16.098 6.882 205 HE21 GLN 38 1HE2 GLN 38 -12.827 14.038 7.712 206 HE22 GLN 38 2HE2 GLN 38 -13.825 13.674 9.085 207 H LEU 39 H LEU 39 -8.423 15.404 6.515 208 HA LEU 39 HA LEU 39 -9.941 13.621 4.832 209 HB2 LEU 39 2HB LEU 39 -10.133 16.075 4.043 210 HB3 LEU 39 1HB LEU 39 -8.446 15.975 3.633 211 HG LEU 39 HG LEU 39 -10.105 15.719 1.727 212 HD11 LEU 39 1HD1 LEU 39 -8.931 13.806 0.655 213 HD12 LEU 39 2HD1 LEU 39 -8.060 13.578 2.189 214 HD13 LEU 39 3HD1 LEU 39 -7.891 15.078 1.286 215 HD21 LEU 39 1HD2 LEU 39 -11.691 14.324 2.930 216 HD22 LEU 39 2HD2 LEU 39 -10.521 12.990 2.922 217 HD23 LEU 39 3HD2 LEU 39 -11.175 13.601 1.410 218 H HIS 40 H HIS 40 -8.528 12.265 6.052 219 HA HIS 40 HA HIS 40 -6.036 11.896 4.611 220 HB2 HIS 40 2HB HIS 40 -5.558 12.357 7.000 221 HB3 HIS 40 1HB HIS 40 -6.721 11.134 7.491 222 HD1 HIS 40 HD1 HIS 40 -5.700 8.952 8.087 223 HD2 HIS 40 HD2 HIS 40 -3.304 11.089 5.453 224 HE1 HIS 40 HE1 HIS 40 -3.848 7.453 7.566 225 H GLU 41 H GLU 41 -5.530 9.446 4.590 226 HA GLU 41 HA GLU 41 -7.162 8.233 2.791 227 HB2 GLU 41 2HB GLU 41 -4.792 7.667 3.414 228 HB3 GLU 41 1HB GLU 41 -5.424 6.768 4.778 229 HG2 GLU 41 2HG GLU 41 -4.874 5.244 3.010 230 HG3 GLU 41 1HG GLU 41 -6.626 5.291 3.190 231 H GLU 42 H GLU 42 -7.455 7.884 6.364 232 HA GLU 42 HA GLU 42 -9.424 5.747 5.994 233 HB2 GLU 42 2HB GLU 42 -8.873 5.021 8.180 234 HB3 GLU 42 1HB GLU 42 -7.392 5.702 7.610 235 HG2 GLU 42 2HG GLU 42 -9.311 7.243 9.334 236 HG3 GLU 42 1HG GLU 42 -7.955 6.307 9.951 237 H SER 43 H SER 43 -9.471 9.020 6.149 238 HA SER 43 HA SER 43 -11.385 9.525 8.154 239 HB2 SER 43 2HB SER 43 -10.634 11.213 5.778 240 HB3 SER 43 1HB SER 43 -11.419 11.768 7.259 241 HG SER 43 HG SER 43 -9.067 10.410 7.774 242 H ASN 44 H ASN 44 -13.533 9.794 8.074 243 HA ASN 44 HA ASN 44 -14.928 8.427 5.964 244 HB2 ASN 44 2HB ASN 44 -15.508 8.029 8.337 245 HB3 ASN 44 1HB ASN 44 -16.009 9.698 8.507 246 HD21 ASN 44 1HD2 ASN 44 -17.474 7.215 8.914 247 HD22 ASN 44 2HD2 ASN 44 -18.868 7.294 7.894 248 H LEU 45 H LEU 45 -15.752 9.300 4.306 249 HA LEU 45 HA LEU 45 -15.694 12.147 3.942 250 HB2 LEU 45 2HB LEU 45 -16.264 9.874 2.106 251 HB3 LEU 45 1HB LEU 45 -16.525 11.535 1.606 252 HG LEU 45 HG LEU 45 -13.846 10.501 2.588 253 HD11 LEU 45 1HD1 LEU 45 -14.841 10.880 -0.209 254 HD12 LEU 45 2HD1 LEU 45 -14.474 9.343 0.592 255 HD13 LEU 45 3HD1 LEU 45 -13.185 10.506 0.280 256 HD21 LEU 45 1HD2 LEU 45 -14.682 13.046 1.172 257 HD22 LEU 45 2HD2 LEU 45 -13.037 12.569 1.533 258 HD23 LEU 45 3HD2 LEU 45 -14.148 12.922 2.845 259 H ILE 46 H ILE 46 -18.268 9.853 4.489 260 HA ILE 46 HA ILE 46 -20.309 11.723 3.684 261 HB ILE 46 HB ILE 46 -20.492 9.186 5.360 262 HG12 ILE 46 2HG1 ILE 46 -19.879 8.774 3.022 263 HG13 ILE 46 1HG1 ILE 46 -21.483 8.143 3.369 264 HG21 ILE 46 1HG2 ILE 46 -22.328 10.642 5.977 265 HG22 ILE 46 2HG2 ILE 46 -22.927 9.260 5.058 266 HG23 ILE 46 3HG2 ILE 46 -22.773 10.836 4.280 267 HD11 ILE 46 1HD1 ILE 46 -20.804 10.667 1.876 268 HD12 ILE 46 2HD1 ILE 46 -22.441 10.122 2.266 269 HD13 ILE 46 3HD1 ILE 46 -21.425 9.157 1.197 270 H GLN 47 H GLN 47 -18.550 10.922 6.485 271 HA GLN 47 HA GLN 47 -19.956 12.417 8.442 272 HB2 GLN 47 2HB GLN 47 -18.425 10.641 9.053 273 HB3 GLN 47 1HB GLN 47 -17.115 11.435 8.218 274 HG2 GLN 47 2HG GLN 47 -18.349 12.808 10.561 275 HG3 GLN 47 1HG GLN 47 -17.313 11.407 10.826 276 HE21 GLN 47 1HE2 GLN 47 -17.397 14.744 9.798 277 HE22 GLN 47 2HE2 GLN 47 -15.685 14.976 9.814 278 H ALA 48 H ALA 48 -17.544 13.167 6.068 279 HA ALA 48 HA ALA 48 -16.989 15.797 7.049 280 HB1 ALA 48 1HB ALA 48 -15.670 16.034 5.002 281 HB2 ALA 48 2HB ALA 48 -16.351 14.531 4.383 282 HB3 ALA 48 3HB ALA 48 -15.312 14.507 5.809 283 H GLY 49 H GLY 49 -19.393 14.362 5.094 284 HA2 GLY 49 2HA GLY 49 -21.413 15.459 4.643 285 HA3 GLY 49 1HA GLY 49 -20.571 17.003 4.663 286 H LEU 50 H LEU 50 -19.440 14.218 2.819 287 HA LEU 50 HA LEU 50 -19.542 15.623 0.295 288 HB2 LEU 50 2HB LEU 50 -18.031 13.652 1.375 289 HB3 LEU 50 1HB LEU 50 -19.252 12.717 0.525 290 HG LEU 50 HG LEU 50 -18.733 13.925 -1.510 291 HD11 LEU 50 1HD1 LEU 50 -17.731 15.972 -0.574 292 HD12 LEU 50 2HD1 LEU 50 -16.600 15.160 -1.654 293 HD13 LEU 50 3HD1 LEU 50 -16.396 15.031 0.091 294 HD21 LEU 50 1HD2 LEU 50 -17.792 11.787 -1.050 295 HD22 LEU 50 2HD2 LEU 50 -16.450 12.573 -0.191 296 HD23 LEU 50 3HD2 LEU 50 -16.645 12.808 -1.935 297 H ASP 51 H ASP 51 -21.374 15.910 -0.760 298 HA ASP 51 HA ASP 51 -23.655 14.295 -0.028 299 HB2 ASP 51 2HB ASP 51 -24.942 15.736 -1.550 300 HB3 ASP 51 1HB ASP 51 -23.975 16.704 -0.440 301 H SER 52 H SER 52 -25.086 13.593 -2.041 302 HA SER 52 HA SER 52 -23.326 11.709 -3.201 303 HB2 SER 52 2HB SER 52 -26.296 11.797 -3.644 304 HB3 SER 52 1HB SER 52 -25.095 10.527 -4.033 305 HG SER 52 HG SER 52 -24.859 11.270 -1.475 306 H ILE 53 H ILE 53 -24.456 14.738 -4.337 307 HA ILE 53 HA ILE 53 -24.234 13.916 -7.073 308 HB ILE 53 HB ILE 53 -24.028 16.746 -5.985 309 HG12 ILE 53 2HG1 ILE 53 -26.251 15.795 -5.476 310 HG13 ILE 53 1HG1 ILE 53 -26.379 17.033 -6.718 311 HG21 ILE 53 1HG2 ILE 53 -23.003 16.335 -8.250 312 HG22 ILE 53 2HG2 ILE 53 -24.363 17.453 -8.321 313 HG23 ILE 53 3HG2 ILE 53 -24.564 15.773 -8.817 314 HD11 ILE 53 1HD1 ILE 53 -26.538 15.274 -8.427 315 HD12 ILE 53 2HD1 ILE 53 -27.814 15.145 -7.217 316 HD13 ILE 53 3HD1 ILE 53 -26.436 14.048 -7.162 317 H ARG 54 H ARG 54 -22.384 15.441 -4.531 318 HA ARG 54 HA ARG 54 -19.975 15.993 -5.742 319 HB2 ARG 54 2HB ARG 54 -20.947 16.014 -3.229 320 HB3 ARG 54 1HB ARG 54 -19.952 14.569 -3.148 321 HG2 ARG 54 2HG ARG 54 -18.617 16.305 -2.408 322 HG3 ARG 54 1HG ARG 54 -18.094 15.994 -4.069 323 HD2 ARG 54 2HD ARG 54 -18.291 18.343 -3.826 324 HD3 ARG 54 1HD ARG 54 -19.674 17.772 -4.782 325 HE ARG 54 HE ARG 54 -21.014 17.978 -2.780 326 HH11 ARG 54 1HH1 ARG 54 -17.956 19.851 -2.923 327 HH12 ARG 54 2HH1 ARG 54 -18.410 20.929 -1.733 328 HH21 ARG 54 1HH2 ARG 54 -21.659 19.400 -1.282 329 HH22 ARG 54 2HH2 ARG 54 -20.684 20.708 -0.724 330 H LEU 55 H LEU 55 -21.079 13.065 -4.190 331 HA LEU 55 HA LEU 55 -19.055 11.282 -4.725 332 HB2 LEU 55 2HB LEU 55 -21.986 11.026 -4.361 333 HB3 LEU 55 1HB LEU 55 -21.130 9.556 -4.532 334 HG LEU 55 HG LEU 55 -20.817 11.618 -2.327 335 HD11 LEU 55 1HD1 LEU 55 -21.705 8.735 -2.202 336 HD12 LEU 55 2HD1 LEU 55 -22.763 10.142 -2.083 337 HD13 LEU 55 3HD1 LEU 55 -21.527 9.859 -0.859 338 HD21 LEU 55 1HD2 LEU 55 -19.229 10.068 -1.302 339 HD22 LEU 55 2HD2 LEU 55 -18.619 10.753 -2.806 340 HD23 LEU 55 3HD2 LEU 55 -19.250 9.092 -2.766 341 H MET 56 H MET 56 -21.953 11.857 -6.761 342 HA MET 56 HA MET 56 -20.889 10.026 -8.691 343 HB2 MET 56 2HB MET 56 -22.853 10.466 -10.084 344 HB3 MET 56 1HB MET 56 -23.267 10.034 -8.435 345 HG2 MET 56 2HG MET 56 -23.600 12.393 -7.945 346 HG3 MET 56 1HG MET 56 -23.329 12.784 -9.647 347 HE1 MET 56 HE1 MET 56 -25.594 10.962 -7.040 348 HE2 MET 56 HE2 MET 56 -25.183 9.634 -8.119 349 HE3 MET 56 HE3 MET 56 -26.839 10.234 -8.052 350 H ARG 57 H ARG 57 -20.551 13.401 -8.240 351 HA ARG 57 HA ARG 57 -19.924 14.038 -10.842 352 HB2 ARG 57 2HB ARG 57 -18.638 15.185 -8.341 353 HB3 ARG 57 1HB ARG 57 -18.374 15.833 -9.948 354 HG2 ARG 57 2HG ARG 57 -20.911 16.130 -10.032 355 HG3 ARG 57 1HG ARG 57 -20.855 15.853 -8.292 356 HD2 ARG 57 2HD ARG 57 -19.489 18.050 -9.844 357 HD3 ARG 57 1HD ARG 57 -20.807 18.223 -8.695 358 HE ARG 57 HE ARG 57 -18.499 17.057 -7.493 359 HH11 ARG 57 1HH1 ARG 57 -19.922 20.155 -8.450 360 HH12 ARG 57 2HH1 ARG 57 -18.917 21.086 -7.428 361 HH21 ARG 57 1HH2 ARG 57 -17.074 18.392 -6.074 362 HH22 ARG 57 2HH2 ARG 57 -17.283 20.003 -6.018 363 H TRP 58 H TRP 58 -18.088 12.803 -8.100 364 HA TRP 58 HA TRP 58 -15.576 12.545 -9.291 365 HB2 TRP 58 2HB TRP 58 -16.803 11.206 -6.903 366 HB3 TRP 58 1HB TRP 58 -15.160 10.877 -7.423 367 HD1 TRP 58 HD1 TRP 58 -16.688 12.706 -4.813 368 HE1 TRP 58 HE1 TRP 58 -15.334 14.706 -4.082 369 HE3 TRP 58 HE3 TRP 58 -13.712 13.226 -8.969 370 HZ2 TRP 58 HZ2 TRP 58 -13.186 16.350 -5.149 371 HZ3 TRP 58 HZ3 TRP 58 -12.078 15.043 -9.015 372 HH2 TRP 58 HH2 TRP 58 -11.839 16.573 -7.144 373 H LEU 59 H LEU 59 -18.342 10.439 -9.282 374 HA LEU 59 HA LEU 59 -17.173 8.066 -10.121 375 HB2 LEU 59 2HB LEU 59 -19.514 8.148 -9.506 376 HB3 LEU 59 1HB LEU 59 -19.865 9.200 -10.860 377 HG LEU 59 HG LEU 59 -19.402 7.395 -12.421 378 HD11 LEU 59 1HD1 LEU 59 -19.095 5.090 -11.629 379 HD12 LEU 59 2HD1 LEU 59 -18.946 5.681 -9.971 380 HD13 LEU 59 3HD1 LEU 59 -17.750 6.132 -11.190 381 HD21 LEU 59 1HD2 LEU 59 -21.673 7.704 -11.627 382 HD22 LEU 59 2HD2 LEU 59 -21.359 6.638 -10.256 383 HD23 LEU 59 3HD2 LEU 59 -21.342 5.994 -11.898 384 H HIS 60 H HIS 60 -18.014 10.897 -11.932 385 HA HIS 60 HA HIS 60 -17.398 9.729 -14.480 386 HB2 HIS 60 2HB HIS 60 -18.082 12.543 -13.622 387 HB3 HIS 60 1HB HIS 60 -17.699 12.118 -15.289 388 HD1 HIS 60 HD1 HIS 60 -20.407 11.594 -12.654 389 HD2 HIS 60 HD2 HIS 60 -19.635 10.767 -16.658 390 HE1 HIS 60 HE1 HIS 60 -22.553 10.725 -13.617 391 H TRP 61 H TRP 61 -15.728 11.334 -11.994 392 HA TRP 61 HA TRP 61 -13.547 12.264 -13.594 393 HB2 TRP 61 2HB TRP 61 -14.348 13.204 -11.331 394 HB3 TRP 61 1HB TRP 61 -13.513 11.832 -10.611 395 HD1 TRP 61 HD1 TRP 61 -12.921 15.186 -12.199 396 HE1 TRP 61 HE1 TRP 61 -10.452 15.818 -12.023 397 HE3 TRP 61 HE3 TRP 61 -11.114 10.759 -10.473 398 HZ2 TRP 61 HZ2 TRP 61 -8.041 14.598 -11.234 399 HZ3 TRP 61 HZ3 TRP 61 -8.718 10.574 -10.027 400 HH2 TRP 61 HH2 TRP 61 -7.221 12.440 -10.398 401 H PHE 62 H PHE 62 -14.325 9.401 -11.725 402 HA PHE 62 HA PHE 62 -11.774 8.123 -11.887 403 HB2 PHE 62 2HB PHE 62 -14.522 6.861 -11.795 404 HB3 PHE 62 1HB PHE 62 -13.024 5.998 -11.536 405 HD1 PHE 62 HD1 PHE 62 -11.553 7.515 -9.746 406 HD2 PHE 62 HD2 PHE 62 -15.711 6.981 -9.965 407 HE1 PHE 62 HE1 PHE 62 -11.733 7.933 -7.296 408 HE2 PHE 62 HE2 PHE 62 -15.941 7.423 -7.555 409 HZ PHE 62 HZ PHE 62 -13.959 7.880 -6.222 410 H ARG 63 H ARG 63 -14.733 7.852 -13.663 411 HA ARG 63 HA ARG 63 -13.932 5.941 -15.526 412 HB2 ARG 63 2HB ARG 63 -16.232 7.008 -14.692 413 HB3 ARG 63 1HB ARG 63 -16.100 7.826 -16.254 414 HG2 ARG 63 2HG ARG 63 -15.885 5.538 -17.284 415 HG3 ARG 63 1HG ARG 63 -16.174 4.895 -15.653 416 HD2 ARG 63 2HD ARG 63 -18.242 4.933 -16.952 417 HD3 ARG 63 1HD ARG 63 -18.319 5.994 -15.546 418 HE ARG 63 HE ARG 63 -17.607 7.099 -18.146 419 HH11 ARG 63 1HH1 ARG 63 -19.951 6.923 -15.481 420 HH12 ARG 63 2HH1 ARG 63 -20.887 8.246 -16.004 421 HH21 ARG 63 1HH2 ARG 63 -18.950 8.931 -18.901 422 HH22 ARG 63 2HH2 ARG 63 -20.311 9.394 -17.993 423 H LYS 64 H LYS 64 -13.283 9.242 -15.338 424 HA LYS 64 HA LYS 64 -12.779 10.286 -17.832 425 HB2 LYS 64 2HB LYS 64 -12.504 11.461 -15.713 426 HB3 LYS 64 1HB LYS 64 -11.153 10.441 -15.292 427 HG2 LYS 64 2HG LYS 64 -9.852 11.461 -17.129 428 HG3 LYS 64 1HG LYS 64 -11.224 12.516 -17.481 429 HD2 LYS 64 2HD LYS 64 -9.924 13.886 -16.110 430 HD3 LYS 64 1HD LYS 64 -11.046 13.181 -14.962 431 HE2 LYS 64 2HE LYS 64 -8.139 12.399 -15.401 432 HE3 LYS 64 1HE LYS 64 -8.801 13.231 -14.009 433 HZ1 LYS 64 1HZ LYS 64 -9.147 10.436 -14.829 434 HZ2 LYS 64 2HZ LYS 64 -10.093 11.063 -13.576 435 HZ3 LYS 64 3HZ LYS 64 -8.408 10.941 -13.423 436 H ASN 65 H ASN 65 -10.740 8.068 -15.934 437 HA ASN 65 HA ASN 65 -8.883 7.828 -18.240 438 HB2 ASN 65 2HB ASN 65 -8.392 7.167 -15.323 439 HB3 ASN 65 1HB ASN 65 -7.252 6.865 -16.619 440 HD21 ASN 65 1HD2 ASN 65 -5.732 8.137 -15.527 441 HD22 ASN 65 2HD2 ASN 65 -5.860 9.857 -15.464 442 H GLY 66 H GLY 66 -11.485 6.456 -17.261 443 HA2 GLY 66 2HA GLY 66 -12.288 4.363 -17.882 444 HA3 GLY 66 1HA GLY 66 -10.630 3.809 -18.064 445 H TYR 67 H TYR 67 -11.027 5.415 -15.099 446 HA TYR 67 HA TYR 67 -10.693 2.980 -13.670 447 HB2 TYR 67 2HB TYR 67 -11.397 5.707 -12.584 448 HB3 TYR 67 1HB TYR 67 -10.976 4.312 -11.585 449 HD1 TYR 67 HD1 TYR 67 -9.819 7.231 -12.838 450 HD2 TYR 67 HD2 TYR 67 -8.707 3.173 -12.490 451 HE1 TYR 67 HE1 TYR 67 -7.451 7.856 -13.158 452 HE2 TYR 67 HE2 TYR 67 -6.371 3.751 -12.754 453 HH TYR 67 HH TYR 67 -5.188 6.883 -12.604 454 H ARG 68 H ARG 68 -12.074 2.242 -12.052 455 HA ARG 68 HA ARG 68 -14.858 2.582 -12.768 456 HB2 ARG 68 2HB ARG 68 -13.415 0.038 -13.397 457 HB3 ARG 68 1HB ARG 68 -15.148 0.082 -13.146 458 HG2 ARG 68 2HG ARG 68 -15.299 1.751 -15.012 459 HG3 ARG 68 1HG ARG 68 -13.578 1.480 -15.313 460 HD2 ARG 68 2HD ARG 68 -15.067 0.109 -16.764 461 HD3 ARG 68 1HD ARG 68 -13.980 -0.859 -15.760 462 HE ARG 68 HE ARG 68 -16.724 -0.312 -14.899 463 HH11 ARG 68 1HH1 ARG 68 -14.416 -2.744 -16.116 464 HH12 ARG 68 2HH1 ARG 68 -15.068 -3.950 -15.126 465 HH21 ARG 68 1HH2 ARG 68 -17.620 -2.238 -13.596 466 HH22 ARG 68 2HH2 ARG 68 -16.710 -3.695 -13.790 467 H LEU 69 H LEU 69 -16.130 2.402 -11.237 468 HA LEU 69 HA LEU 69 -16.077 0.306 -9.374 469 HB2 LEU 69 2HB LEU 69 -15.910 1.752 -7.329 470 HB3 LEU 69 1HB LEU 69 -14.412 1.582 -8.204 471 HG LEU 69 HG LEU 69 -14.951 3.884 -9.206 472 HD11 LEU 69 1HD1 LEU 69 -16.820 3.985 -6.851 473 HD12 LEU 69 2HD1 LEU 69 -17.276 4.035 -8.552 474 HD13 LEU 69 3HD1 LEU 69 -16.333 5.352 -7.855 475 HD21 LEU 69 1HD2 LEU 69 -13.157 3.522 -7.645 476 HD22 LEU 69 2HD2 LEU 69 -14.278 3.556 -6.290 477 HD23 LEU 69 3HD2 LEU 69 -13.994 5.021 -7.234 478 H THR 70 H THR 70 -18.041 0.491 -7.954 479 HA THR 70 HA THR 70 -19.968 2.150 -9.343 480 HB THR 70 HB THR 70 -21.716 0.782 -8.245 481 HG1 THR 70 1HG THR 70 -19.484 -0.510 -7.050 482 HG21 THR 70 1HG2 THR 70 -21.337 -1.351 -9.405 483 HG22 THR 70 2HG2 THR 70 -19.642 -0.919 -9.630 484 HG23 THR 70 3HG2 THR 70 -20.905 0.026 -10.418 485 H LEU 71 H LEU 71 -21.165 3.593 -8.157 486 HA LEU 71 HA LEU 71 -19.659 4.904 -6.187 487 HB2 LEU 71 2HB LEU 71 -21.477 5.754 -7.840 488 HB3 LEU 71 1HB LEU 71 -22.496 5.241 -6.497 489 HG LEU 71 HG LEU 71 -21.464 6.793 -4.990 490 HD11 LEU 71 1HD1 LEU 71 -19.865 8.432 -5.868 491 HD12 LEU 71 2HD1 LEU 71 -19.987 7.590 -7.429 492 HD13 LEU 71 3HD1 LEU 71 -19.283 6.763 -6.050 493 HD21 LEU 71 1HD2 LEU 71 -22.389 8.062 -7.565 494 HD22 LEU 71 2HD2 LEU 71 -22.337 8.857 -5.995 495 HD23 LEU 71 3HD2 LEU 71 -23.435 7.501 -6.261 496 H ARG 72 H ARG 72 -22.106 2.482 -5.981 497 HA ARG 72 HA ARG 72 -23.085 3.121 -3.392 498 HB2 ARG 72 2HB ARG 72 -23.194 0.513 -4.909 499 HB3 ARG 72 1HB ARG 72 -24.075 0.843 -3.424 500 HG2 ARG 72 2HG ARG 72 -24.419 2.189 -6.098 501 HG3 ARG 72 1HG ARG 72 -25.519 1.028 -5.348 502 HD2 ARG 72 2HD ARG 72 -25.817 2.567 -3.487 503 HD3 ARG 72 1HD ARG 72 -24.777 3.731 -4.313 504 HE ARG 72 HE ARG 72 -27.130 2.786 -5.743 505 HH11 ARG 72 1HH1 ARG 72 -25.656 5.470 -3.935 506 HH12 ARG 72 2HH1 ARG 72 -26.756 6.645 -4.401 507 HH21 ARG 72 1HH2 ARG 72 -28.736 4.430 -6.421 508 HH22 ARG 72 2HH2 ARG 72 -28.581 6.026 -5.864 509 H GLU 73 H GLU 73 -20.259 1.713 -4.504 510 HA GLU 73 HA GLU 73 -19.635 0.121 -2.155 511 HB2 GLU 73 2HB GLU 73 -17.869 1.145 -4.390 512 HB3 GLU 73 1HB GLU 73 -17.342 0.035 -3.134 513 HG2 GLU 73 2HG GLU 73 -18.797 -1.655 -3.907 514 HG3 GLU 73 1HG GLU 73 -19.600 -0.511 -4.998 515 H LEU 74 H LEU 74 -19.250 3.328 -3.247 516 HA LEU 74 HA LEU 74 -17.195 4.070 -1.390 517 HB2 LEU 74 2HB LEU 74 -18.984 5.951 -2.918 518 HB3 LEU 74 1HB LEU 74 -17.412 6.302 -2.232 519 HG LEU 74 HG LEU 74 -18.054 4.675 -4.676 520 HD11 LEU 74 1HD1 LEU 74 -16.693 6.267 -5.822 521 HD12 LEU 74 2HD1 LEU 74 -16.205 6.991 -4.300 522 HD13 LEU 74 3HD1 LEU 74 -17.867 7.158 -4.836 523 HD21 LEU 74 1HD2 LEU 74 -15.666 4.179 -4.877 524 HD22 LEU 74 2HD2 LEU 74 -16.364 3.433 -3.440 525 HD23 LEU 74 3HD2 LEU 74 -15.382 4.892 -3.289 526 H TYR 75 H TYR 75 -20.599 3.912 -1.366 527 HA TYR 75 HA TYR 75 -20.972 5.576 0.984 528 HB2 TYR 75 2HB TYR 75 -22.779 3.570 -0.348 529 HB3 TYR 75 1HB TYR 75 -23.211 4.492 1.088 530 HD1 TYR 75 HD1 TYR 75 -22.405 4.738 -2.497 531 HD2 TYR 75 HD2 TYR 75 -24.169 6.592 0.878 532 HE1 TYR 75 HE1 TYR 75 -23.518 6.343 -3.973 533 HE2 TYR 75 HE2 TYR 75 -25.262 8.228 -0.571 534 HH TYR 75 HH TYR 75 -25.161 9.098 -2.752 535 H ALA 76 H ALA 76 -20.647 2.164 0.171 536 HA ALA 76 HA ALA 76 -21.371 1.017 2.622 537 HB1 ALA 76 1HB ALA 76 -21.169 -0.268 0.538 538 HB2 ALA 76 2HB ALA 76 -20.208 -0.987 1.831 539 HB3 ALA 76 3HB ALA 76 -19.421 -0.039 0.570 540 H ALA 77 H ALA 77 -18.239 2.002 1.378 541 HA ALA 77 HA ALA 77 -17.353 2.181 4.152 542 HB1 ALA 77 1HB ALA 77 -15.063 1.596 3.433 543 HB2 ALA 77 2HB ALA 77 -15.653 1.329 1.792 544 HB3 ALA 77 3HB ALA 77 -16.192 0.281 3.104 545 HA PRO 78 HA PRO 78 -17.202 6.135 1.983 546 HB2 PRO 78 2HB PRO 78 -18.181 7.691 3.962 547 HB3 PRO 78 1HB PRO 78 -19.229 6.732 2.894 548 HG2 PRO 78 2HG PRO 78 -18.499 6.246 5.702 549 HG3 PRO 78 1HG PRO 78 -19.960 5.786 4.811 550 HD2 PRO 78 2HD PRO 78 -17.794 4.105 5.417 551 HD3 PRO 78 1HD PRO 78 -19.112 3.767 4.281 552 H THR 79 H THR 79 -14.986 5.934 2.037 553 HA THR 79 HA THR 79 -13.603 7.756 3.805 554 HB THR 79 HB THR 79 -11.757 6.001 3.987 555 HG1 THR 79 1HG THR 79 -13.913 4.364 3.161 556 HG21 THR 79 1HG2 THR 79 -12.712 4.878 5.963 557 HG22 THR 79 2HG2 THR 79 -14.329 5.403 5.457 558 HG23 THR 79 3HG2 THR 79 -13.121 6.598 5.927 559 H LEU 80 H LEU 80 -11.538 8.256 2.745 560 HA LEU 80 HA LEU 80 -11.618 8.412 -0.032 561 HB2 LEU 80 2HB LEU 80 -9.331 8.371 1.848 562 HB3 LEU 80 1HB LEU 80 -9.230 8.676 0.119 563 HG LEU 80 HG LEU 80 -10.928 10.408 1.895 564 HD11 LEU 80 1HD1 LEU 80 -8.034 10.505 1.220 565 HD12 LEU 80 2HD1 LEU 80 -8.761 10.447 2.837 566 HD13 LEU 80 3HD1 LEU 80 -8.941 11.893 1.814 567 HD21 LEU 80 1HD2 LEU 80 -11.213 10.541 -0.574 568 HD22 LEU 80 2HD2 LEU 80 -9.486 10.903 -0.705 569 HD23 LEU 80 3HD2 LEU 80 -10.544 12.011 0.136 570 H ALA 81 H ALA 81 -9.975 6.347 2.203 571 HA ALA 81 HA ALA 81 -8.318 4.743 0.823 572 HB1 ALA 81 1HB ALA 81 -10.114 3.728 3.008 573 HB2 ALA 81 2HB ALA 81 -8.649 4.669 3.257 574 HB3 ALA 81 3HB ALA 81 -8.552 3.063 2.527 575 H ALA 82 H ALA 82 -11.783 4.165 1.127 576 HA ALA 82 HA ALA 82 -11.732 1.675 -0.164 577 HB1 ALA 82 1HB ALA 82 -14.018 3.632 -0.033 578 HB2 ALA 82 2HB ALA 82 -13.640 2.402 1.175 579 HB3 ALA 82 3HB ALA 82 -14.134 1.926 -0.452 580 H TRP 83 H TRP 83 -12.322 4.926 -1.440 581 HA TRP 83 HA TRP 83 -13.038 4.141 -4.077 582 HB2 TRP 83 2HB TRP 83 -11.625 6.810 -3.546 583 HB3 TRP 83 1HB TRP 83 -12.819 6.367 -4.749 584 HD1 TRP 83 HD1 TRP 83 -13.979 5.424 -1.356 585 HE1 TRP 83 HE1 TRP 83 -15.814 7.037 -0.664 586 HE3 TRP 83 HE3 TRP 83 -13.226 8.986 -4.896 587 HZ2 TRP 83 HZ2 TRP 83 -16.801 9.555 -1.500 588 HZ3 TRP 83 HZ3 TRP 83 -14.637 10.972 -4.877 589 HH2 TRP 83 HH2 TRP 83 -16.382 11.257 -3.217 590 H ASN 84 H ASN 84 -10.075 5.152 -2.558 591 HA ASN 84 HA ASN 84 -8.321 5.118 -4.723 592 HB2 ASN 84 2HB ASN 84 -7.811 6.147 -2.536 593 HB3 ASN 84 1HB ASN 84 -7.772 4.561 -1.789 594 HD21 ASN 84 1HD2 ASN 84 -5.638 5.047 -1.048 595 HD22 ASN 84 2HD2 ASN 84 -4.309 4.914 -2.124 596 H GLN 85 H GLN 85 -8.882 2.557 -2.287 597 HA GLN 85 HA GLN 85 -7.193 0.643 -3.485 598 HB2 GLN 85 2HB GLN 85 -9.554 0.229 -1.654 599 HB3 GLN 85 1HB GLN 85 -8.399 -1.024 -2.088 600 HG2 GLN 85 2HG GLN 85 -6.605 0.239 -1.032 601 HG3 GLN 85 1HG GLN 85 -7.750 1.538 -0.678 602 HE21 GLN 85 1HE2 GLN 85 -9.219 1.285 0.904 603 HE22 GLN 85 2HE2 GLN 85 -9.115 0.031 2.106 604 H LEU 86 H LEU 86 -10.566 1.396 -4.040 605 HA LEU 86 HA LEU 86 -11.188 -0.870 -5.579 606 HB2 LEU 86 2HB LEU 86 -12.379 1.885 -5.619 607 HB3 LEU 86 1HB LEU 86 -13.044 0.509 -6.479 608 HG LEU 86 HG LEU 86 -12.747 0.737 -3.484 609 HD11 LEU 86 1HD1 LEU 86 -15.145 0.834 -5.246 610 HD12 LEU 86 2HD1 LEU 86 -14.448 2.184 -4.323 611 HD13 LEU 86 3HD1 LEU 86 -15.176 0.817 -3.479 612 HD21 LEU 86 1HD2 LEU 86 -13.986 -1.445 -5.162 613 HD22 LEU 86 2HD2 LEU 86 -14.105 -1.314 -3.412 614 HD23 LEU 86 3HD2 LEU 86 -12.535 -1.587 -4.163 615 H MET 87 H MET 87 -9.518 2.084 -6.332 616 HA MET 87 HA MET 87 -9.669 1.689 -9.182 617 HB2 MET 87 2HB MET 87 -7.959 3.650 -7.616 618 HB3 MET 87 1HB MET 87 -8.233 3.675 -9.360 619 HG2 MET 87 2HG MET 87 -10.523 4.194 -9.094 620 HG3 MET 87 1HG MET 87 -10.477 3.841 -7.376 621 HE1 MET 87 HE1 MET 87 -9.211 7.761 -9.360 622 HE2 MET 87 HE2 MET 87 -9.877 6.287 -10.191 623 HE3 MET 87 HE3 MET 87 -8.185 6.360 -9.721 624 H LEU 88 H LEU 88 -7.411 0.914 -6.608 625 HA LEU 88 HA LEU 88 -5.410 0.038 -8.486 626 HB2 LEU 88 2HB LEU 88 -5.704 -0.543 -5.548 627 HB3 LEU 88 1HB LEU 88 -4.482 -1.359 -6.510 628 HG LEU 88 HG LEU 88 -3.656 0.974 -6.931 629 HD11 LEU 88 1HD1 LEU 88 -5.396 1.503 -4.534 630 HD12 LEU 88 2HD1 LEU 88 -5.644 2.129 -6.163 631 HD13 LEU 88 3HD1 LEU 88 -4.223 2.627 -5.235 632 HD21 LEU 88 1HD2 LEU 88 -3.567 -0.225 -4.200 633 HD22 LEU 88 2HD2 LEU 88 -2.430 0.979 -4.840 634 HD23 LEU 88 3HD2 LEU 88 -2.561 -0.618 -5.596 635 H SER 89 H SER 89 -8.127 -1.386 -7.011 636 HA SER 89 HA SER 89 -7.405 -4.024 -7.807 637 HB2 SER 89 2HB SER 89 -10.073 -2.921 -6.919 638 HB3 SER 89 1HB SER 89 -9.625 -4.629 -7.005 639 HG SER 89 HG SER 89 -8.719 -2.635 -5.219 640 H ARG 90 H ARG 90 -9.571 -1.477 -9.081 641 HA ARG 90 HA ARG 90 -9.940 -3.166 -11.458 642 HB2 ARG 90 2HB ARG 90 -11.877 -1.348 -10.129 643 HB3 ARG 90 1HB ARG 90 -12.132 -2.158 -11.667 644 HG2 ARG 90 2HG ARG 90 -11.945 -4.306 -10.564 645 HG3 ARG 90 1HG ARG 90 -11.704 -3.479 -9.015 646 HD2 ARG 90 2HD ARG 90 -13.899 -3.046 -10.858 647 HD3 ARG 90 1HD ARG 90 -14.038 -4.174 -9.461 648 HE ARG 90 HE ARG 90 -13.466 -1.277 -9.260 649 HH11 ARG 90 1HH1 ARG 90 -15.450 -4.041 -8.167 650 HH12 ARG 90 2HH1 ARG 90 -16.172 -3.098 -6.905 651 HH21 ARG 90 1HH2 ARG 90 -14.548 -0.136 -7.466 652 HH22 ARG 90 2HH2 ARG 90 -15.719 -1.036 -6.575 653 H SER 91 H SER 91 -8.012 -1.149 -11.112 654 HA SER 91 HA SER 91 -8.762 1.027 -12.722 655 HB2 SER 91 2HB SER 91 -6.568 1.129 -11.689 656 HB3 SER 91 1HB SER 91 -5.974 -0.238 -12.602 657 HG SER 91 HG SER 91 -6.953 1.662 -14.237 658 HA PRO 92 HA PRO 92 -8.767 -1.574 -16.556 659 HB2 PRO 92 2HB PRO 92 -7.181 -3.775 -16.837 660 HB3 PRO 92 1HB PRO 92 -6.556 -2.124 -17.026 661 HG2 PRO 92 2HG PRO 92 -5.874 -4.008 -14.981 662 HG3 PRO 92 1HG PRO 92 -5.270 -2.355 -15.197 663 HD2 PRO 92 2HD PRO 92 -7.465 -3.334 -13.455 664 HD3 PRO 92 1HD PRO 92 -6.387 -1.944 -13.231 665 H GLU 93 H GLU 93 -10.831 -2.512 -16.595 666 HA GLU 93 HA GLU 93 -11.094 -5.282 -16.170 667 HB2 GLU 93 2HB GLU 93 -11.560 -4.270 -13.857 668 HB3 GLU 93 1HB GLU 93 -12.861 -3.350 -14.599 669 HG2 GLU 93 2HG GLU 93 -13.852 -5.549 -15.320 670 HG3 GLU 93 1HG GLU 93 -12.667 -6.338 -14.285 Start of MODEL 20 1 H ASP 14 1H ASP 14 -3.895 5.242 -1.765 2 HA ASP 14 HA ASP 14 -1.307 3.853 -1.953 3 HB2 ASP 14 2HB ASP 14 -3.446 2.479 -2.324 4 HB3 ASP 14 1HB ASP 14 -3.858 3.595 -3.616 5 H ASN 15 H ASN 15 -0.925 4.111 -4.607 6 HA ASN 15 HA ASN 15 -1.725 6.584 -5.676 7 HB2 ASN 15 2HB ASN 15 0.094 7.125 -3.790 8 HB3 ASN 15 1HB ASN 15 1.205 6.704 -5.095 9 HD21 ASN 15 1HD2 ASN 15 1.972 8.803 -5.458 10 HD22 ASN 15 2HD2 ASN 15 0.931 10.044 -6.085 11 H ARG 16 H ARG 16 -1.192 3.590 -6.367 12 HA ARG 16 HA ARG 16 0.915 3.926 -8.367 13 HB2 ARG 16 2HB ARG 16 -0.921 1.588 -7.818 14 HB3 ARG 16 1HB ARG 16 0.177 1.603 -9.185 15 HG2 ARG 16 2HG ARG 16 1.266 0.327 -7.585 16 HG3 ARG 16 1HG ARG 16 2.012 1.909 -7.409 17 HD2 ARG 16 2HD ARG 16 0.581 2.366 -5.481 18 HD3 ARG 16 1HD ARG 16 -0.193 0.790 -5.673 19 HE ARG 16 HE ARG 16 2.694 0.827 -5.400 20 HH11 ARG 16 1HH1 ARG 16 -0.382 0.394 -3.646 21 HH12 ARG 16 2HH1 ARG 16 0.261 -0.589 -2.446 22 HH21 ARG 16 1HH2 ARG 16 3.614 -0.516 -3.668 23 HH22 ARG 16 2HH2 ARG 16 2.599 -1.103 -2.434 24 H HIS 17 H HIS 17 -2.288 2.505 -8.999 25 HA HIS 17 HA HIS 17 -2.542 4.139 -11.370 26 HB2 HIS 17 2HB HIS 17 -4.550 2.252 -10.055 27 HB3 HIS 17 1HB HIS 17 -4.826 3.075 -11.585 28 HD1 HIS 17 HD1 HIS 17 -4.862 -0.069 -11.543 29 HD2 HIS 17 HD2 HIS 17 -1.489 2.251 -12.359 30 HE1 HIS 17 HE1 HIS 17 -3.287 -1.529 -12.795 31 H ALA 18 H ALA 18 -3.352 4.101 -8.178 32 HA ALA 18 HA ALA 18 -5.375 5.979 -8.032 33 HB1 ALA 18 1HB ALA 18 -4.991 4.354 -6.317 34 HB2 ALA 18 2HB ALA 18 -4.976 5.988 -5.638 35 HB3 ALA 18 3HB ALA 18 -3.453 5.108 -5.883 36 H ALA 19 H ALA 19 -2.101 6.449 -8.760 37 HA ALA 19 HA ALA 19 -1.500 8.954 -7.780 38 HB1 ALA 19 1HB ALA 19 0.021 7.623 -9.181 39 HB2 ALA 19 2HB ALA 19 -0.139 9.270 -9.793 40 HB3 ALA 19 3HB ALA 19 -0.995 7.946 -10.585 41 H ASP 20 H ASP 20 -3.744 8.102 -10.355 42 HA ASP 20 HA ASP 20 -4.399 10.739 -11.251 43 HB2 ASP 20 2HB ASP 20 -5.041 8.705 -12.524 44 HB3 ASP 20 1HB ASP 20 -6.041 8.229 -11.147 45 H TYR 21 H TYR 21 -5.705 8.550 -8.872 46 HA TYR 21 HA TYR 21 -7.801 10.125 -7.886 47 HB2 TYR 21 2HB TYR 21 -7.568 7.681 -7.475 48 HB3 TYR 21 1HB TYR 21 -6.209 8.012 -6.412 49 HD1 TYR 21 HD1 TYR 21 -6.576 8.643 -4.130 50 HD2 TYR 21 HD2 TYR 21 -9.811 8.482 -6.865 51 HE1 TYR 21 HE1 TYR 21 -8.150 8.901 -2.273 52 HE2 TYR 21 HE2 TYR 21 -11.389 8.750 -5.028 53 HH TYR 21 HH TYR 21 -11.488 8.408 -2.586 54 H GLN 22 H GLN 22 -4.373 10.250 -7.321 55 HA GLN 22 HA GLN 22 -4.412 11.692 -4.905 56 HB2 GLN 22 2HB GLN 22 -2.345 10.677 -5.815 57 HB3 GLN 22 1HB GLN 22 -2.362 11.834 -7.135 58 HG2 GLN 22 2HG GLN 22 -2.018 13.660 -5.580 59 HG3 GLN 22 1HG GLN 22 -2.105 12.535 -4.226 60 HE21 GLN 22 1HE2 GLN 22 -0.046 13.125 -3.526 61 HE22 GLN 22 2HE2 GLN 22 1.380 12.606 -4.362 62 H GLN 23 H GLN 23 -4.822 12.663 -8.240 63 HA GLN 23 HA GLN 23 -4.893 15.435 -7.609 64 HB2 GLN 23 2HB GLN 23 -5.843 13.943 -10.062 65 HB3 GLN 23 1HB GLN 23 -5.911 15.689 -9.910 66 HG2 GLN 23 2HG GLN 23 -3.336 14.157 -9.668 67 HG3 GLN 23 1HG GLN 23 -3.973 14.672 -11.220 68 HE21 GLN 23 1HE2 GLN 23 -4.217 16.728 -8.269 69 HE22 GLN 23 2HE2 GLN 23 -3.113 17.877 -8.831 70 H LEU 24 H LEU 24 -7.300 12.870 -7.941 71 HA LEU 24 HA LEU 24 -9.542 14.547 -7.501 72 HB2 LEU 24 2HB LEU 24 -10.100 12.422 -8.342 73 HB3 LEU 24 1HB LEU 24 -9.293 11.451 -7.139 74 HG LEU 24 HG LEU 24 -11.864 13.048 -6.857 75 HD11 LEU 24 1HD1 LEU 24 -12.057 11.163 -8.364 76 HD12 LEU 24 2HD1 LEU 24 -12.923 10.849 -6.861 77 HD13 LEU 24 3HD1 LEU 24 -11.355 10.097 -7.146 78 HD21 LEU 24 1HD2 LEU 24 -10.779 12.786 -4.645 79 HD22 LEU 24 2HD2 LEU 24 -10.623 11.061 -4.920 80 HD23 LEU 24 3HD2 LEU 24 -12.220 11.781 -4.773 81 H ARG 25 H ARG 25 -7.315 13.001 -5.389 82 HA ARG 25 HA ARG 25 -8.503 13.377 -2.899 83 HB2 ARG 25 2HB ARG 25 -6.272 12.215 -3.596 84 HB3 ARG 25 1HB ARG 25 -5.567 13.799 -3.305 85 HG2 ARG 25 2HG ARG 25 -5.298 12.876 -1.228 86 HG3 ARG 25 1HG ARG 25 -6.932 13.541 -1.042 87 HD2 ARG 25 2HD ARG 25 -7.062 11.372 -0.270 88 HD3 ARG 25 1HD ARG 25 -7.797 11.393 -1.877 89 HE ARG 25 HE ARG 25 -5.373 10.629 -2.534 90 HH11 ARG 25 1HH1 ARG 25 -7.473 9.496 0.033 91 HH12 ARG 25 2HH1 ARG 25 -6.676 7.997 0.236 92 HH21 ARG 25 1HH2 ARG 25 -4.259 8.459 -2.260 93 HH22 ARG 25 2HH2 ARG 25 -4.862 7.463 -1.006 94 H GLU 26 H GLU 26 -6.168 15.449 -4.636 95 HA GLU 26 HA GLU 26 -5.995 17.587 -2.890 96 HB2 GLU 26 2HB GLU 26 -4.641 17.125 -4.973 97 HB3 GLU 26 1HB GLU 26 -5.997 17.749 -5.899 98 HG2 GLU 26 2HG GLU 26 -5.713 19.800 -4.293 99 HG3 GLU 26 1HG GLU 26 -4.069 19.167 -4.162 100 H ARG 27 H ARG 27 -8.140 17.024 -5.626 101 HA ARG 27 HA ARG 27 -9.635 19.407 -5.541 102 HB2 ARG 27 2HB ARG 27 -10.492 16.671 -6.425 103 HB3 ARG 27 1HB ARG 27 -11.363 18.161 -6.766 104 HG2 ARG 27 2HG ARG 27 -8.575 17.599 -7.753 105 HG3 ARG 27 1HG ARG 27 -10.007 17.111 -8.639 106 HD2 ARG 27 2HD ARG 27 -9.195 19.157 -9.584 107 HD3 ARG 27 1HD ARG 27 -10.688 19.510 -8.732 108 HE ARG 27 HE ARG 27 -9.542 20.970 -7.466 109 HH11 ARG 27 1HH1 ARG 27 -7.102 18.607 -8.634 110 HH12 ARG 27 2HH1 ARG 27 -5.795 19.529 -8.052 111 HH21 ARG 27 1HH2 ARG 27 -7.663 22.259 -6.861 112 HH22 ARG 27 2HH2 ARG 27 -6.106 21.561 -7.061 113 H LEU 28 H LEU 28 -10.259 16.177 -4.079 114 HA LEU 28 HA LEU 28 -12.733 16.700 -2.994 115 HB2 LEU 28 2HB LEU 28 -11.150 14.529 -3.222 116 HB3 LEU 28 1HB LEU 28 -10.895 14.874 -1.536 117 HG LEU 28 HG LEU 28 -13.561 14.469 -2.816 118 HD11 LEU 28 1HD1 LEU 28 -11.940 12.590 -1.105 119 HD12 LEU 28 2HD1 LEU 28 -12.239 12.421 -2.832 120 HD13 LEU 28 3HD1 LEU 28 -13.575 12.282 -1.688 121 HD21 LEU 28 1HD2 LEU 28 -13.731 15.835 -0.811 122 HD22 LEU 28 2HD2 LEU 28 -12.812 14.643 0.105 123 HD23 LEU 28 3HD2 LEU 28 -14.412 14.240 -0.510 124 H ILE 29 H ILE 29 -9.521 17.236 -1.652 125 HA ILE 29 HA ILE 29 -10.337 17.932 0.930 126 HB ILE 29 HB ILE 29 -7.867 18.858 -0.608 127 HG12 ILE 29 2HG1 ILE 29 -8.333 16.747 1.454 128 HG13 ILE 29 1HG1 ILE 29 -8.112 16.434 -0.267 129 HG21 ILE 29 1HG2 ILE 29 -6.908 19.441 1.568 130 HG22 ILE 29 2HG2 ILE 29 -8.393 18.972 2.371 131 HG23 ILE 29 3HG2 ILE 29 -8.380 20.384 1.305 132 HD11 ILE 29 1HD1 ILE 29 -6.070 17.565 1.638 133 HD12 ILE 29 2HD1 ILE 29 -5.791 17.178 -0.075 134 HD13 ILE 29 3HD1 ILE 29 -6.200 15.900 1.090 135 H GLN 30 H GLN 30 -9.839 19.961 -1.876 136 HA GLN 30 HA GLN 30 -10.821 22.282 -0.492 137 HB2 GLN 30 2HB GLN 30 -10.551 23.416 -2.712 138 HB3 GLN 30 1HB GLN 30 -9.092 22.701 -2.039 139 HG2 GLN 30 2HG GLN 30 -9.675 20.667 -3.433 140 HG3 GLN 30 1HG GLN 30 -10.829 21.775 -4.183 141 HE21 GLN 30 1HE2 GLN 30 -7.495 21.069 -3.601 142 HE22 GLN 30 2HE2 GLN 30 -6.796 22.005 -4.858 143 H GLU 31 H GLU 31 -12.276 19.804 -2.275 144 HA GLU 31 HA GLU 31 -14.626 20.886 -3.256 145 HB2 GLU 31 2HB GLU 31 -13.918 18.612 -3.688 146 HB3 GLU 31 1HB GLU 31 -14.072 18.196 -1.994 147 HG2 GLU 31 2HG GLU 31 -15.876 17.223 -3.234 148 HG3 GLU 31 1HG GLU 31 -16.513 18.486 -2.190 149 H LEU 32 H LEU 32 -14.162 19.410 0.024 150 HA LEU 32 HA LEU 32 -16.566 20.869 0.871 151 HB2 LEU 32 2HB LEU 32 -14.897 18.892 2.401 152 HB3 LEU 32 1HB LEU 32 -16.344 19.659 2.992 153 HG LEU 32 HG LEU 32 -16.222 17.761 0.662 154 HD11 LEU 32 1HD1 LEU 32 -17.384 16.235 2.203 155 HD12 LEU 32 2HD1 LEU 32 -17.143 17.393 3.513 156 HD13 LEU 32 3HD1 LEU 32 -15.757 16.625 2.735 157 HD21 LEU 32 1HD2 LEU 32 -18.559 19.040 2.086 158 HD22 LEU 32 2HD2 LEU 32 -18.678 17.787 0.856 159 HD23 LEU 32 3HD2 LEU 32 -18.039 19.373 0.433 160 H ASN 33 H ASN 33 -13.391 21.506 0.648 161 HA ASN 33 HA ASN 33 -11.971 23.031 1.478 162 HB2 ASN 33 2HB ASN 33 -14.371 24.073 3.030 163 HB3 ASN 33 1HB ASN 33 -12.798 24.858 3.029 164 HD21 ASN 33 1HD2 ASN 33 -15.638 24.160 1.220 165 HD22 ASN 33 2HD2 ASN 33 -15.318 25.255 -0.094 166 H LEU 34 H LEU 34 -11.878 20.593 2.432 167 HA LEU 34 HA LEU 34 -11.597 20.617 5.319 168 HB2 LEU 34 2HB LEU 34 -10.637 18.514 3.353 169 HB3 LEU 34 1HB LEU 34 -10.711 18.344 5.081 170 HG LEU 34 HG LEU 34 -13.346 18.760 4.429 171 HD11 LEU 34 1HD1 LEU 34 -12.051 17.075 2.296 172 HD12 LEU 34 2HD1 LEU 34 -12.852 18.620 2.018 173 HD13 LEU 34 3HD1 LEU 34 -13.787 17.203 2.516 174 HD21 LEU 34 1HD2 LEU 34 -12.523 17.082 5.975 175 HD22 LEU 34 2HD2 LEU 34 -11.841 16.157 4.634 176 HD23 LEU 34 3HD2 LEU 34 -13.587 16.337 4.779 177 H THR 35 H THR 35 -9.374 19.613 5.971 178 HA THR 35 HA THR 35 -7.190 20.709 4.395 179 HB THR 35 HB THR 35 -6.010 21.131 6.611 180 HG1 THR 35 1HG THR 35 -7.254 21.295 8.448 181 HG21 THR 35 1HG2 THR 35 -7.154 23.250 7.135 182 HG22 THR 35 2HG2 THR 35 -8.544 22.727 6.185 183 HG23 THR 35 3HG2 THR 35 -6.995 23.017 5.393 184 HA PRO 36 HA PRO 36 -5.709 16.494 4.821 185 HB2 PRO 36 2HB PRO 36 -3.010 16.806 5.244 186 HB3 PRO 36 1HB PRO 36 -3.764 17.026 3.652 187 HG2 PRO 36 2HG PRO 36 -2.970 19.094 5.636 188 HG3 PRO 36 1HG PRO 36 -2.777 19.091 3.872 189 HD2 PRO 36 2HD PRO 36 -4.734 20.487 5.046 190 HD3 PRO 36 1HD PRO 36 -4.972 19.680 3.484 191 H GLN 37 H GLN 37 -5.687 18.626 7.314 192 HA GLN 37 HA GLN 37 -4.474 17.056 9.421 193 HB2 GLN 37 2HB GLN 37 -6.387 19.380 9.603 194 HB3 GLN 37 1HB GLN 37 -5.330 18.784 10.872 195 HG2 GLN 37 2HG GLN 37 -3.399 19.572 9.737 196 HG3 GLN 37 1HG GLN 37 -4.336 19.941 8.286 197 HE21 GLN 37 1HE2 GLN 37 -3.567 20.937 11.516 198 HE22 GLN 37 2HE2 GLN 37 -4.280 22.508 11.383 199 H GLN 38 H GLN 38 -7.508 17.343 7.804 200 HA GLN 38 HA GLN 38 -8.852 15.711 9.849 201 HB2 GLN 38 2HB GLN 38 -10.966 16.792 9.090 202 HB3 GLN 38 1HB GLN 38 -9.847 17.973 9.797 203 HG2 GLN 38 2HG GLN 38 -9.197 18.476 7.431 204 HG3 GLN 38 1HG GLN 38 -10.539 17.449 6.941 205 HE21 GLN 38 1HE2 GLN 38 -9.593 20.489 8.249 206 HE22 GLN 38 2HE2 GLN 38 -11.183 21.184 8.244 207 H LEU 39 H LEU 39 -7.342 15.367 7.080 208 HA LEU 39 HA LEU 39 -9.264 13.450 6.160 209 HB2 LEU 39 2HB LEU 39 -9.724 15.517 4.854 210 HB3 LEU 39 1HB LEU 39 -8.099 15.427 4.205 211 HG LEU 39 HG LEU 39 -8.630 13.168 3.381 212 HD11 LEU 39 1HD1 LEU 39 -10.506 12.638 4.776 213 HD12 LEU 39 2HD1 LEU 39 -10.944 12.518 3.084 214 HD13 LEU 39 3HD1 LEU 39 -11.463 13.922 4.030 215 HD21 LEU 39 1HD2 LEU 39 -8.551 14.919 1.824 216 HD22 LEU 39 2HD2 LEU 39 -10.149 15.519 2.289 217 HD23 LEU 39 3HD2 LEU 39 -9.992 13.979 1.435 218 H HIS 40 H HIS 40 -8.179 11.770 6.421 219 HA HIS 40 HA HIS 40 -5.730 11.335 4.929 220 HB2 HIS 40 2HB HIS 40 -5.051 11.515 7.298 221 HB3 HIS 40 1HB HIS 40 -6.330 10.411 7.780 222 HD1 HIS 40 HD1 HIS 40 -5.490 8.156 8.275 223 HD2 HIS 40 HD2 HIS 40 -3.131 10.051 5.435 224 HE1 HIS 40 HE1 HIS 40 -3.847 6.457 7.558 225 H GLU 41 H GLU 41 -5.485 8.830 4.647 226 HA GLU 41 HA GLU 41 -7.346 7.836 2.945 227 HB2 GLU 41 2HB GLU 41 -5.479 6.342 4.781 228 HB3 GLU 41 1HB GLU 41 -6.404 5.543 3.529 229 HG2 GLU 41 2HG GLU 41 -4.498 7.798 2.932 230 HG3 GLU 41 1HG GLU 41 -3.980 6.118 3.012 231 H GLU 42 H GLU 42 -7.512 7.439 6.520 232 HA GLU 42 HA GLU 42 -9.584 5.406 6.230 233 HB2 GLU 42 2HB GLU 42 -9.103 4.771 8.455 234 HB3 GLU 42 1HB GLU 42 -7.583 5.351 7.867 235 HG2 GLU 42 2HG GLU 42 -9.445 7.048 9.511 236 HG3 GLU 42 1HG GLU 42 -8.117 6.102 10.170 237 H SER 43 H SER 43 -9.513 8.698 6.339 238 HA SER 43 HA SER 43 -11.478 9.289 8.259 239 HB2 SER 43 2HB SER 43 -10.602 10.899 5.873 240 HB3 SER 43 1HB SER 43 -11.406 11.522 7.317 241 HG SER 43 HG SER 43 -9.090 10.082 7.885 242 H ASN 44 H ASN 44 -13.591 9.247 8.176 243 HA ASN 44 HA ASN 44 -14.960 8.119 5.932 244 HB2 ASN 44 2HB ASN 44 -15.625 7.561 8.256 245 HB3 ASN 44 1HB ASN 44 -16.111 9.228 8.513 246 HD21 ASN 44 1HD2 ASN 44 -17.614 6.689 8.658 247 HD22 ASN 44 2HD2 ASN 44 -18.972 6.895 7.605 248 H LEU 45 H LEU 45 -15.626 9.122 4.312 249 HA LEU 45 HA LEU 45 -15.553 11.979 4.186 250 HB2 LEU 45 2HB LEU 45 -15.939 9.852 2.148 251 HB3 LEU 45 1HB LEU 45 -16.191 11.547 1.771 252 HG LEU 45 HG LEU 45 -13.571 10.489 2.865 253 HD11 LEU 45 1HD1 LEU 45 -14.044 9.451 0.762 254 HD12 LEU 45 2HD1 LEU 45 -12.769 10.665 0.603 255 HD13 LEU 45 3HD1 LEU 45 -14.409 11.021 0.044 256 HD21 LEU 45 1HD2 LEU 45 -12.749 12.653 1.994 257 HD22 LEU 45 2HD2 LEU 45 -13.949 12.880 3.254 258 HD23 LEU 45 3HD2 LEU 45 -14.392 13.115 1.575 259 H ILE 46 H ILE 46 -18.160 9.709 4.522 260 HA ILE 46 HA ILE 46 -20.101 11.593 3.521 261 HB ILE 46 HB ILE 46 -20.471 9.024 5.102 262 HG12 ILE 46 2HG1 ILE 46 -19.719 8.692 2.806 263 HG13 ILE 46 1HG1 ILE 46 -21.362 8.096 3.012 264 HG21 ILE 46 1HG2 ILE 46 -22.880 9.171 4.650 265 HG22 ILE 46 2HG2 ILE 46 -22.642 10.772 3.948 266 HG23 ILE 46 3HG2 ILE 46 -22.315 10.504 5.660 267 HD11 ILE 46 1HD1 ILE 46 -21.125 9.193 0.899 268 HD12 ILE 46 2HD1 ILE 46 -20.487 10.644 1.673 269 HD13 ILE 46 3HD1 ILE 46 -22.174 10.167 1.934 270 H GLN 47 H GLN 47 -18.734 10.690 6.553 271 HA GLN 47 HA GLN 47 -20.451 12.382 8.115 272 HB2 GLN 47 2HB GLN 47 -17.807 11.121 8.869 273 HB3 GLN 47 1HB GLN 47 -18.895 11.931 9.982 274 HG2 GLN 47 2HG GLN 47 -19.409 9.377 8.477 275 HG3 GLN 47 1HG GLN 47 -19.144 9.557 10.208 276 HE21 GLN 47 1HE2 GLN 47 -20.808 10.462 11.478 277 HE22 GLN 47 2HE2 GLN 47 -22.431 10.527 10.874 278 H ALA 48 H ALA 48 -17.721 12.824 6.191 279 HA ALA 48 HA ALA 48 -16.825 15.270 7.405 280 HB1 ALA 48 1HB ALA 48 -15.424 15.497 5.397 281 HB2 ALA 48 2HB ALA 48 -16.260 14.133 4.657 282 HB3 ALA 48 3HB ALA 48 -15.268 13.883 6.095 283 H GLY 49 H GLY 49 -19.251 14.258 5.222 284 HA2 GLY 49 2HA GLY 49 -21.126 15.637 5.008 285 HA3 GLY 49 1HA GLY 49 -20.079 17.051 4.973 286 H LEU 50 H LEU 50 -19.327 14.231 3.000 287 HA LEU 50 HA LEU 50 -19.638 15.767 0.601 288 HB2 LEU 50 2HB LEU 50 -19.233 12.823 0.981 289 HB3 LEU 50 1HB LEU 50 -19.348 13.589 -0.577 290 HG LEU 50 HG LEU 50 -17.153 14.050 1.459 291 HD11 LEU 50 1HD1 LEU 50 -17.198 12.848 -1.249 292 HD12 LEU 50 2HD1 LEU 50 -17.321 11.904 0.228 293 HD13 LEU 50 3HD1 LEU 50 -15.832 12.832 -0.116 294 HD21 LEU 50 1HD2 LEU 50 -17.263 15.026 -1.393 295 HD22 LEU 50 2HD2 LEU 50 -16.110 15.474 -0.102 296 HD23 LEU 50 3HD2 LEU 50 -17.757 16.044 -0.037 297 H ASP 51 H ASP 51 -21.649 16.361 0.018 298 HA ASP 51 HA ASP 51 -23.861 14.604 0.393 299 HB2 ASP 51 2HB ASP 51 -25.224 16.160 -0.927 300 HB3 ASP 51 1HB ASP 51 -24.255 17.070 0.218 301 H SER 52 H SER 52 -25.218 14.086 -1.676 302 HA SER 52 HA SER 52 -23.470 12.223 -2.862 303 HB2 SER 52 2HB SER 52 -26.411 12.538 -3.340 304 HB3 SER 52 1HB SER 52 -25.334 11.205 -3.833 305 HG SER 52 HG SER 52 -25.019 11.756 -1.225 306 H ILE 53 H ILE 53 -24.340 15.381 -3.963 307 HA ILE 53 HA ILE 53 -24.113 14.524 -6.705 308 HB ILE 53 HB ILE 53 -23.872 17.378 -5.702 309 HG12 ILE 53 2HG1 ILE 53 -26.106 16.465 -5.152 310 HG13 ILE 53 1HG1 ILE 53 -26.223 17.663 -6.432 311 HG21 ILE 53 1HG2 ILE 53 -24.434 16.304 -8.497 312 HG22 ILE 53 2HG2 ILE 53 -22.876 16.802 -7.968 313 HG23 ILE 53 3HG2 ILE 53 -24.183 18.003 -8.072 314 HD11 ILE 53 1HD1 ILE 53 -26.406 15.853 -8.084 315 HD12 ILE 53 2HD1 ILE 53 -27.681 15.777 -6.870 316 HD13 ILE 53 3HD1 ILE 53 -26.315 14.666 -6.781 317 H ARG 54 H ARG 54 -22.176 15.929 -4.202 318 HA ARG 54 HA ARG 54 -19.757 16.413 -5.635 319 HB2 ARG 54 2HB ARG 54 -19.551 15.128 -2.929 320 HB3 ARG 54 1HB ARG 54 -18.662 16.499 -3.552 321 HG2 ARG 54 2HG ARG 54 -21.506 16.524 -2.604 322 HG3 ARG 54 1HG ARG 54 -20.107 17.073 -1.703 323 HD2 ARG 54 2HD ARG 54 -20.565 18.271 -4.368 324 HD3 ARG 54 1HD ARG 54 -21.679 18.718 -3.079 325 HE ARG 54 HE ARG 54 -18.827 19.332 -3.250 326 HH11 ARG 54 1HH1 ARG 54 -21.849 19.431 -1.365 327 HH12 ARG 54 2HH1 ARG 54 -21.338 20.660 -0.327 328 HH21 ARG 54 1HH2 ARG 54 -18.088 20.999 -1.863 329 HH22 ARG 54 2HH2 ARG 54 -19.078 21.608 -0.627 330 H LEU 55 H LEU 55 -21.075 13.688 -3.969 331 HA LEU 55 HA LEU 55 -19.087 11.793 -4.262 332 HB2 LEU 55 2HB LEU 55 -21.366 11.890 -2.852 333 HB3 LEU 55 1HB LEU 55 -21.968 11.118 -4.262 334 HG LEU 55 HG LEU 55 -20.683 9.152 -3.959 335 HD11 LEU 55 1HD1 LEU 55 -18.554 10.177 -3.248 336 HD12 LEU 55 2HD1 LEU 55 -19.086 8.928 -2.116 337 HD13 LEU 55 3HD1 LEU 55 -19.303 10.629 -1.719 338 HD21 LEU 55 1HD2 LEU 55 -22.668 9.389 -2.565 339 HD22 LEU 55 2HD2 LEU 55 -21.673 10.130 -1.307 340 HD23 LEU 55 3HD2 LEU 55 -21.410 8.447 -1.760 341 H MET 56 H MET 56 -21.958 12.430 -6.358 342 HA MET 56 HA MET 56 -21.098 10.265 -8.052 343 HB2 MET 56 2HB MET 56 -23.115 10.610 -9.392 344 HB3 MET 56 1HB MET 56 -23.460 10.397 -7.686 345 HG2 MET 56 2HG MET 56 -23.732 12.811 -7.475 346 HG3 MET 56 1HG MET 56 -23.497 12.986 -9.217 347 HE1 MET 56 HE1 MET 56 -25.701 11.417 -6.382 348 HE2 MET 56 HE2 MET 56 -25.363 10.014 -7.390 349 HE3 MET 56 HE3 MET 56 -27.002 10.658 -7.297 350 H ARG 57 H ARG 57 -20.680 13.632 -7.949 351 HA ARG 57 HA ARG 57 -20.164 13.982 -10.590 352 HB2 ARG 57 2HB ARG 57 -19.115 15.393 -8.177 353 HB3 ARG 57 1HB ARG 57 -18.410 15.759 -9.747 354 HG2 ARG 57 2HG ARG 57 -20.756 16.168 -10.568 355 HG3 ARG 57 1HG ARG 57 -21.237 16.034 -8.870 356 HD2 ARG 57 2HD ARG 57 -19.072 17.945 -9.704 357 HD3 ARG 57 1HD ARG 57 -20.761 18.394 -9.882 358 HE ARG 57 HE ARG 57 -21.007 18.340 -7.574 359 HH11 ARG 57 1HH1 ARG 57 -17.558 17.625 -8.328 360 HH12 ARG 57 2HH1 ARG 57 -17.032 18.374 -6.876 361 HH21 ARG 57 1HH2 ARG 57 -20.071 19.494 -5.680 362 HH22 ARG 57 2HH2 ARG 57 -18.384 19.435 -5.463 363 H TRP 58 H TRP 58 -18.325 12.733 -7.900 364 HA TRP 58 HA TRP 58 -15.838 12.437 -9.115 365 HB2 TRP 58 2HB TRP 58 -17.061 11.117 -6.712 366 HB3 TRP 58 1HB TRP 58 -15.435 10.737 -7.262 367 HD1 TRP 58 HD1 TRP 58 -16.765 12.605 -4.575 368 HE1 TRP 58 HE1 TRP 58 -15.385 14.604 -3.983 369 HE3 TRP 58 HE3 TRP 58 -14.090 13.072 -8.953 370 HZ2 TRP 58 HZ2 TRP 58 -13.346 16.248 -5.237 371 HZ3 TRP 58 HZ3 TRP 58 -12.513 14.889 -9.143 372 HH2 TRP 58 HH2 TRP 58 -12.164 16.438 -7.348 373 H LEU 59 H LEU 59 -18.648 10.438 -9.114 374 HA LEU 59 HA LEU 59 -17.545 7.997 -9.909 375 HB2 LEU 59 2HB LEU 59 -19.910 8.288 -9.235 376 HB3 LEU 59 1HB LEU 59 -20.206 9.151 -10.731 377 HG LEU 59 HG LEU 59 -19.638 7.128 -11.992 378 HD11 LEU 59 1HD1 LEU 59 -18.229 5.993 -10.388 379 HD12 LEU 59 2HD1 LEU 59 -19.591 4.962 -10.824 380 HD13 LEU 59 3HD1 LEU 59 -19.589 5.814 -9.281 381 HD21 LEU 59 1HD2 LEU 59 -21.879 6.813 -9.999 382 HD22 LEU 59 2HD2 LEU 59 -21.705 5.926 -11.519 383 HD23 LEU 59 3HD2 LEU 59 -21.953 7.670 -11.543 384 H HIS 60 H HIS 60 -18.215 10.868 -11.738 385 HA HIS 60 HA HIS 60 -17.756 9.592 -14.291 386 HB2 HIS 60 2HB HIS 60 -19.330 11.539 -13.997 387 HB3 HIS 60 1HB HIS 60 -17.929 12.556 -13.688 388 HD1 HIS 60 HD1 HIS 60 -16.854 13.596 -15.761 389 HD2 HIS 60 HD2 HIS 60 -19.329 10.382 -16.651 390 HE1 HIS 60 HE1 HIS 60 -17.008 13.495 -18.272 391 H TRP 61 H TRP 61 -15.965 11.327 -11.896 392 HA TRP 61 HA TRP 61 -13.814 12.182 -13.537 393 HB2 TRP 61 2HB TRP 61 -14.573 13.125 -11.267 394 HB3 TRP 61 1HB TRP 61 -13.691 11.776 -10.558 395 HD1 TRP 61 HD1 TRP 61 -13.208 15.145 -12.136 396 HE1 TRP 61 HE1 TRP 61 -10.740 15.830 -12.040 397 HE3 TRP 61 HE3 TRP 61 -11.245 10.749 -10.517 398 HZ2 TRP 61 HZ2 TRP 61 -8.282 14.659 -11.351 399 HZ3 TRP 61 HZ3 TRP 61 -8.832 10.616 -10.158 400 HH2 TRP 61 HH2 TRP 61 -7.389 12.507 -10.563 401 H PHE 62 H PHE 62 -14.413 9.309 -11.607 402 HA PHE 62 HA PHE 62 -11.797 8.219 -11.667 403 HB2 PHE 62 2HB PHE 62 -14.463 6.816 -11.624 404 HB3 PHE 62 1HB PHE 62 -12.922 5.996 -11.417 405 HD1 PHE 62 HD1 PHE 62 -15.622 7.483 -9.818 406 HD2 PHE 62 HD2 PHE 62 -11.451 6.956 -9.555 407 HE1 PHE 62 HE1 PHE 62 -15.758 7.910 -7.405 408 HE2 PHE 62 HE2 PHE 62 -11.550 7.374 -7.102 409 HZ PHE 62 HZ PHE 62 -13.722 7.851 -6.044 410 H ARG 63 H ARG 63 -14.496 7.913 -13.789 411 HA ARG 63 HA ARG 63 -13.439 5.797 -15.261 412 HB2 ARG 63 2HB ARG 63 -15.882 7.495 -15.744 413 HB3 ARG 63 1HB ARG 63 -15.442 6.079 -16.722 414 HG2 ARG 63 2HG ARG 63 -15.622 4.659 -14.806 415 HG3 ARG 63 1HG ARG 63 -15.916 6.048 -13.762 416 HD2 ARG 63 2HD ARG 63 -17.694 5.234 -16.062 417 HD3 ARG 63 1HD ARG 63 -17.979 4.799 -14.378 418 HE ARG 63 HE ARG 63 -17.947 7.264 -13.979 419 HH11 ARG 63 1HH1 ARG 63 -19.043 5.923 -17.064 420 HH12 ARG 63 2HH1 ARG 63 -20.238 7.094 -17.366 421 HH21 ARG 63 1HH2 ARG 63 -19.637 8.895 -14.341 422 HH22 ARG 63 2HH2 ARG 63 -20.588 8.855 -15.749 423 H LYS 64 H LYS 64 -12.639 9.033 -15.556 424 HA LYS 64 HA LYS 64 -12.270 9.592 -18.283 425 HB2 LYS 64 2HB LYS 64 -10.026 10.125 -16.362 426 HB3 LYS 64 1HB LYS 64 -10.538 11.086 -17.729 427 HG2 LYS 64 2HG LYS 64 -12.488 11.815 -16.472 428 HG3 LYS 64 1HG LYS 64 -11.980 10.812 -15.112 429 HD2 LYS 64 2HD LYS 64 -10.610 13.267 -16.225 430 HD3 LYS 64 1HD LYS 64 -11.266 13.034 -14.613 431 HE2 LYS 64 2HE LYS 64 -8.757 11.759 -15.777 432 HE3 LYS 64 1HE LYS 64 -8.834 12.976 -14.521 433 HZ1 LYS 64 1HZ LYS 64 -8.376 10.895 -13.482 434 HZ2 LYS 64 2HZ LYS 64 -9.502 10.098 -14.338 435 HZ3 LYS 64 3HZ LYS 64 -10.007 11.148 -13.122 436 H ASN 65 H ASN 65 -10.210 7.775 -16.073 437 HA ASN 65 HA ASN 65 -8.186 7.315 -18.149 438 HB2 ASN 65 2HB ASN 65 -8.112 6.676 -15.189 439 HB3 ASN 65 1HB ASN 65 -6.782 6.472 -16.310 440 HD21 ASN 65 1HD2 ASN 65 -5.467 7.821 -15.085 441 HD22 ASN 65 2HD2 ASN 65 -5.734 9.530 -14.997 442 H GLY 66 H GLY 66 -10.917 5.919 -17.601 443 HA2 GLY 66 2HA GLY 66 -11.595 3.785 -18.197 444 HA3 GLY 66 1HA GLY 66 -9.914 3.263 -18.143 445 H TYR 67 H TYR 67 -10.661 5.024 -15.395 446 HA TYR 67 HA TYR 67 -10.651 2.633 -13.834 447 HB2 TYR 67 2HB TYR 67 -11.063 5.466 -12.868 448 HB3 TYR 67 1HB TYR 67 -10.864 4.056 -11.833 449 HD1 TYR 67 HD1 TYR 67 -9.260 6.733 -12.325 450 HD2 TYR 67 HD2 TYR 67 -8.677 2.653 -13.307 451 HE1 TYR 67 HE1 TYR 67 -6.820 7.095 -12.448 452 HE2 TYR 67 HE2 TYR 67 -6.262 2.993 -13.404 453 HH TYR 67 HH TYR 67 -4.782 5.744 -12.213 454 H ARG 68 H ARG 68 -12.234 2.413 -12.118 455 HA ARG 68 HA ARG 68 -14.892 2.853 -13.055 456 HB2 ARG 68 2HB ARG 68 -15.240 0.283 -13.418 457 HB3 ARG 68 1HB ARG 68 -14.618 1.283 -14.724 458 HG2 ARG 68 2HG ARG 68 -12.326 0.594 -14.122 459 HG3 ARG 68 1HG ARG 68 -12.990 -0.456 -12.880 460 HD2 ARG 68 2HD ARG 68 -13.798 -0.711 -15.759 461 HD3 ARG 68 1HD ARG 68 -12.343 -1.481 -15.140 462 HE ARG 68 HE ARG 68 -14.425 -2.207 -13.463 463 HH11 ARG 68 1HH1 ARG 68 -13.576 -2.747 -16.909 464 HH12 ARG 68 2HH1 ARG 68 -14.164 -4.371 -16.827 465 HH21 ARG 68 1HH2 ARG 68 -15.203 -4.380 -13.555 466 HH22 ARG 68 2HH2 ARG 68 -15.086 -5.241 -15.047 467 H LEU 69 H LEU 69 -16.254 2.656 -11.513 468 HA LEU 69 HA LEU 69 -16.210 0.527 -9.692 469 HB2 LEU 69 2HB LEU 69 -16.016 1.866 -7.569 470 HB3 LEU 69 1HB LEU 69 -14.520 1.691 -8.447 471 HG LEU 69 HG LEU 69 -14.963 4.062 -9.329 472 HD11 LEU 69 1HD1 LEU 69 -17.297 4.268 -8.711 473 HD12 LEU 69 2HD1 LEU 69 -16.320 5.511 -7.928 474 HD13 LEU 69 3HD1 LEU 69 -16.874 4.113 -7.004 475 HD21 LEU 69 1HD2 LEU 69 -14.383 3.592 -6.415 476 HD22 LEU 69 2HD2 LEU 69 -14.013 5.070 -7.304 477 HD23 LEU 69 3HD2 LEU 69 -13.223 3.556 -7.743 478 H THR 70 H THR 70 -18.086 0.690 -8.192 479 HA THR 70 HA THR 70 -20.055 2.390 -9.504 480 HB THR 70 HB THR 70 -21.786 0.987 -8.343 481 HG1 THR 70 1HG THR 70 -19.473 -0.298 -7.370 482 HG21 THR 70 1HG2 THR 70 -21.149 0.432 -10.632 483 HG22 THR 70 2HG2 THR 70 -21.514 -1.033 -9.721 484 HG23 THR 70 3HG2 THR 70 -19.838 -0.583 -10.033 485 H LEU 71 H LEU 71 -21.212 3.880 -8.298 486 HA LEU 71 HA LEU 71 -19.811 5.051 -6.159 487 HB2 LEU 71 2HB LEU 71 -21.575 6.017 -7.808 488 HB3 LEU 71 1HB LEU 71 -22.670 5.411 -6.574 489 HG LEU 71 HG LEU 71 -21.674 6.839 -4.893 490 HD11 LEU 71 1HD1 LEU 71 -19.474 6.933 -5.742 491 HD12 LEU 71 2HD1 LEU 71 -20.093 8.613 -5.762 492 HD13 LEU 71 3HD1 LEU 71 -20.074 7.619 -7.232 493 HD21 LEU 71 1HD2 LEU 71 -22.488 8.329 -7.383 494 HD22 LEU 71 2HD2 LEU 71 -22.498 8.971 -5.741 495 HD23 LEU 71 3HD2 LEU 71 -23.598 7.663 -6.185 496 H ARG 72 H ARG 72 -22.252 2.736 -6.361 497 HA ARG 72 HA ARG 72 -23.427 2.510 -3.882 498 HB2 ARG 72 2HB ARG 72 -24.189 1.190 -5.698 499 HB3 ARG 72 1HB ARG 72 -22.607 0.513 -6.012 500 HG2 ARG 72 2HG ARG 72 -24.298 -0.117 -3.612 501 HG3 ARG 72 1HG ARG 72 -24.483 -0.945 -5.160 502 HD2 ARG 72 2HD ARG 72 -22.058 -0.657 -3.571 503 HD3 ARG 72 1HD ARG 72 -23.026 -2.168 -3.604 504 HE ARG 72 HE ARG 72 -21.638 -1.023 -5.991 505 HH11 ARG 72 1HH1 ARG 72 -22.244 -3.852 -3.958 506 HH12 ARG 72 2HH1 ARG 72 -21.265 -4.895 -4.881 507 HH21 ARG 72 1HH2 ARG 72 -20.312 -2.371 -7.219 508 HH22 ARG 72 2HH2 ARG 72 -20.095 -4.013 -6.845 509 H GLU 73 H GLU 73 -20.177 1.879 -4.828 510 HA GLU 73 HA GLU 73 -19.561 0.244 -2.488 511 HB2 GLU 73 2HB GLU 73 -17.803 1.239 -4.741 512 HB3 GLU 73 1HB GLU 73 -17.277 0.142 -3.462 513 HG2 GLU 73 2HG GLU 73 -18.782 -1.533 -4.164 514 HG3 GLU 73 1HG GLU 73 -19.579 -0.402 -5.260 515 H LEU 74 H LEU 74 -19.294 3.472 -3.578 516 HA LEU 74 HA LEU 74 -17.366 4.270 -1.588 517 HB2 LEU 74 2HB LEU 74 -19.118 6.100 -3.233 518 HB3 LEU 74 1HB LEU 74 -17.660 6.537 -2.373 519 HG LEU 74 HG LEU 74 -17.926 4.975 -4.923 520 HD11 LEU 74 1HD1 LEU 74 -16.264 7.373 -4.239 521 HD12 LEU 74 2HD1 LEU 74 -17.835 7.457 -4.992 522 HD13 LEU 74 3HD1 LEU 74 -16.494 6.661 -5.834 523 HD21 LEU 74 1HD2 LEU 74 -16.341 3.746 -3.553 524 HD22 LEU 74 2HD2 LEU 74 -15.453 5.234 -3.222 525 HD23 LEU 74 3HD2 LEU 74 -15.509 4.587 -4.861 526 H TYR 75 H TYR 75 -20.777 4.049 -1.822 527 HA TYR 75 HA TYR 75 -21.315 5.551 0.580 528 HB2 TYR 75 2HB TYR 75 -22.970 3.604 -1.014 529 HB3 TYR 75 1HB TYR 75 -23.515 4.265 0.523 530 HD1 TYR 75 HD1 TYR 75 -22.979 4.912 -3.029 531 HD2 TYR 75 HD2 TYR 75 -24.184 6.591 0.684 532 HE1 TYR 75 HE1 TYR 75 -24.052 6.769 -4.223 533 HE2 TYR 75 HE2 TYR 75 -25.244 8.463 -0.492 534 HH TYR 75 HH TYR 75 -25.297 9.563 -2.565 535 H ALA 76 H ALA 76 -20.770 2.199 -0.303 536 HA ALA 76 HA ALA 76 -21.486 1.013 2.152 537 HB1 ALA 76 1HB ALA 76 -20.330 -0.974 1.323 538 HB2 ALA 76 2HB ALA 76 -19.578 -0.013 0.049 539 HB3 ALA 76 3HB ALA 76 -21.324 -0.255 0.054 540 H ALA 77 H ALA 77 -18.360 2.013 0.834 541 HA ALA 77 HA ALA 77 -17.408 2.100 3.591 542 HB1 ALA 77 1HB ALA 77 -15.162 1.472 2.816 543 HB2 ALA 77 2HB ALA 77 -15.775 1.299 1.172 544 HB3 ALA 77 3HB ALA 77 -16.334 0.207 2.440 545 HA PRO 78 HA PRO 78 -16.989 6.132 1.645 546 HB2 PRO 78 2HB PRO 78 -18.074 7.605 3.638 547 HB3 PRO 78 1HB PRO 78 -19.045 6.781 2.395 548 HG2 PRO 78 2HG PRO 78 -18.772 6.140 5.225 549 HG3 PRO 78 1HG PRO 78 -20.011 5.636 4.063 550 HD2 PRO 78 2HD PRO 78 -17.752 4.129 4.996 551 HD3 PRO 78 1HD PRO 78 -19.020 3.631 3.858 552 H THR 79 H THR 79 -14.764 5.810 1.915 553 HA THR 79 HA THR 79 -13.531 7.593 3.827 554 HB THR 79 HB THR 79 -11.729 5.795 4.157 555 HG1 THR 79 1HG THR 79 -13.859 4.139 3.272 556 HG21 THR 79 1HG2 THR 79 -13.230 6.415 5.980 557 HG22 THR 79 2HG2 THR 79 -12.885 4.682 6.032 558 HG23 THR 79 3HG2 THR 79 -14.432 5.266 5.398 559 H LEU 80 H LEU 80 -11.482 8.260 2.893 560 HA LEU 80 HA LEU 80 -11.384 8.475 0.144 561 HB2 LEU 80 2HB LEU 80 -9.241 8.487 2.162 562 HB3 LEU 80 1HB LEU 80 -8.947 8.669 0.436 563 HG LEU 80 HG LEU 80 -10.716 10.547 2.011 564 HD11 LEU 80 1HD1 LEU 80 -8.712 12.035 1.789 565 HD12 LEU 80 2HD1 LEU 80 -7.801 10.567 1.361 566 HD13 LEU 80 3HD1 LEU 80 -8.571 10.704 2.943 567 HD21 LEU 80 1HD2 LEU 80 -10.371 12.021 0.109 568 HD22 LEU 80 2HD2 LEU 80 -11.020 10.495 -0.499 569 HD23 LEU 80 3HD2 LEU 80 -9.312 10.858 -0.650 570 H ALA 81 H ALA 81 -9.727 6.259 2.299 571 HA ALA 81 HA ALA 81 -8.014 4.876 0.700 572 HB1 ALA 81 1HB ALA 81 -8.063 3.086 2.303 573 HB2 ALA 81 2HB ALA 81 -9.621 3.636 2.913 574 HB3 ALA 81 3HB ALA 81 -8.189 4.631 3.151 575 H ALA 82 H ALA 82 -11.447 4.243 1.101 576 HA ALA 82 HA ALA 82 -11.446 1.797 -0.279 577 HB1 ALA 82 1HB ALA 82 -13.858 2.045 -0.415 578 HB2 ALA 82 2HB ALA 82 -13.721 3.728 0.096 579 HB3 ALA 82 3HB ALA 82 -13.268 2.431 1.201 580 H TRP 83 H TRP 83 -12.170 5.098 -1.392 581 HA TRP 83 HA TRP 83 -12.921 4.296 -4.051 582 HB2 TRP 83 2HB TRP 83 -11.711 7.059 -3.608 583 HB3 TRP 83 1HB TRP 83 -13.004 6.529 -4.654 584 HD1 TRP 83 HD1 TRP 83 -13.809 5.541 -1.166 585 HE1 TRP 83 HE1 TRP 83 -15.591 7.129 -0.259 586 HE3 TRP 83 HE3 TRP 83 -13.479 9.186 -4.696 587 HZ2 TRP 83 HZ2 TRP 83 -16.682 9.634 -0.926 588 HZ3 TRP 83 HZ3 TRP 83 -14.899 11.147 -4.479 589 HH2 TRP 83 HH2 TRP 83 -16.464 11.376 -2.637 590 H ASN 84 H ASN 84 -10.079 5.364 -2.458 591 HA ASN 84 HA ASN 84 -8.167 5.528 -4.456 592 HB2 ASN 84 2HB ASN 84 -7.567 6.407 -2.393 593 HB3 ASN 84 1HB ASN 84 -8.193 5.027 -1.512 594 HD21 ASN 84 1HD2 ASN 84 -6.927 3.327 -1.159 595 HD22 ASN 84 2HD2 ASN 84 -5.236 3.242 -1.487 596 H GLN 85 H GLN 85 -9.002 2.729 -2.384 597 HA GLN 85 HA GLN 85 -7.189 0.987 -3.730 598 HB2 GLN 85 2HB GLN 85 -9.411 0.420 -1.776 599 HB3 GLN 85 1HB GLN 85 -8.374 -0.826 -2.448 600 HG2 GLN 85 2HG GLN 85 -6.422 0.268 -1.441 601 HG3 GLN 85 1HG GLN 85 -7.490 1.507 -0.776 602 HE21 GLN 85 1HE2 GLN 85 -5.725 -0.466 0.550 603 HE22 GLN 85 2HE2 GLN 85 -6.781 -1.317 1.629 604 H LEU 86 H LEU 86 -10.562 1.772 -4.053 605 HA LEU 86 HA LEU 86 -11.279 -0.409 -5.574 606 HB2 LEU 86 2HB LEU 86 -12.447 2.325 -5.436 607 HB3 LEU 86 1HB LEU 86 -13.111 1.080 -6.478 608 HG LEU 86 HG LEU 86 -12.822 0.834 -3.480 609 HD11 LEU 86 1HD1 LEU 86 -15.227 1.334 -5.179 610 HD12 LEU 86 2HD1 LEU 86 -14.438 2.498 -4.098 611 HD13 LEU 86 3HD1 LEU 86 -15.223 1.062 -3.431 612 HD21 LEU 86 1HD2 LEU 86 -14.286 -1.123 -3.760 613 HD22 LEU 86 2HD2 LEU 86 -12.739 -1.341 -4.565 614 HD23 LEU 86 3HD2 LEU 86 -14.179 -0.946 -5.510 615 H MET 87 H MET 87 -9.792 2.612 -6.698 616 HA MET 87 HA MET 87 -10.152 1.698 -9.364 617 HB2 MET 87 2HB MET 87 -8.488 3.413 -10.134 618 HB3 MET 87 1HB MET 87 -9.855 4.041 -9.241 619 HG2 MET 87 2HG MET 87 -8.475 4.363 -7.295 620 HG3 MET 87 1HG MET 87 -7.106 3.607 -8.113 621 HE1 MET 87 HE1 MET 87 -9.000 7.624 -9.541 622 HE2 MET 87 HE2 MET 87 -9.647 6.651 -8.252 623 HE3 MET 87 HE3 MET 87 -9.697 6.027 -9.912 624 H LEU 88 H LEU 88 -7.467 1.205 -7.140 625 HA LEU 88 HA LEU 88 -5.995 -0.345 -9.022 626 HB2 LEU 88 2HB LEU 88 -5.951 -0.251 -6.013 627 HB3 LEU 88 1HB LEU 88 -5.097 -1.525 -6.846 628 HG LEU 88 HG LEU 88 -3.539 0.270 -6.231 629 HD11 LEU 88 1HD1 LEU 88 -3.079 -0.974 -8.222 630 HD12 LEU 88 2HD1 LEU 88 -2.562 0.704 -8.383 631 HD13 LEU 88 3HD1 LEU 88 -4.027 0.160 -9.182 632 HD21 LEU 88 1HD2 LEU 88 -5.284 2.032 -7.946 633 HD22 LEU 88 2HD2 LEU 88 -3.751 2.487 -7.199 634 HD23 LEU 88 3HD2 LEU 88 -5.149 2.115 -6.191 635 H SER 89 H SER 89 -8.443 -1.332 -6.675 636 HA SER 89 HA SER 89 -8.197 -4.088 -7.292 637 HB2 SER 89 2HB SER 89 -9.094 -3.301 -5.139 638 HB3 SER 89 1HB SER 89 -10.490 -2.619 -5.970 639 HG SER 89 HG SER 89 -10.486 -5.040 -6.778 640 H ARG 90 H ARG 90 -10.041 -1.503 -8.716 641 HA ARG 90 HA ARG 90 -11.527 -3.424 -10.346 642 HB2 ARG 90 2HB ARG 90 -11.891 -0.447 -10.022 643 HB3 ARG 90 1HB ARG 90 -12.865 -1.482 -11.045 644 HG2 ARG 90 2HG ARG 90 -12.678 -1.707 -8.051 645 HG3 ARG 90 1HG ARG 90 -13.958 -0.870 -8.928 646 HD2 ARG 90 2HD ARG 90 -14.547 -2.967 -10.037 647 HD3 ARG 90 1HD ARG 90 -13.272 -3.791 -9.138 648 HE ARG 90 HE ARG 90 -15.263 -2.391 -7.570 649 HH11 ARG 90 1HH1 ARG 90 -14.322 -5.485 -9.052 650 HH12 ARG 90 2HH1 ARG 90 -15.073 -6.439 -7.893 651 HH21 ARG 90 1HH2 ARG 90 -16.331 -3.596 -6.044 652 HH22 ARG 90 2HH2 ARG 90 -16.300 -5.322 -6.036 653 H SER 91 H SER 91 -8.571 -2.492 -10.637 654 HA SER 91 HA SER 91 -8.499 -1.126 -13.093 655 HB2 SER 91 2HB SER 91 -6.552 -3.140 -11.903 656 HB3 SER 91 1HB SER 91 -6.200 -2.119 -13.301 657 HG SER 91 HG SER 91 -7.164 -0.766 -11.108 658 HA PRO 92 HA PRO 92 -10.974 -3.055 -15.936 659 HB2 PRO 92 2HB PRO 92 -8.430 -4.005 -17.177 660 HB3 PRO 92 1HB PRO 92 -9.896 -3.371 -17.965 661 HG2 PRO 92 2HG PRO 92 -7.720 -1.811 -17.307 662 HG3 PRO 92 1HG PRO 92 -9.366 -1.208 -17.569 663 HD2 PRO 92 2HD PRO 92 -7.921 -1.106 -15.133 664 HD3 PRO 92 1HD PRO 92 -9.649 -0.755 -15.352 665 H GLU 93 H GLU 93 -12.219 -4.600 -15.374 666 HA GLU 93 HA GLU 93 -11.260 -7.325 -14.919 667 HB2 GLU 93 2HB GLU 93 -13.924 -6.146 -14.065 668 HB3 GLU 93 1HB GLU 93 -13.133 -7.577 -13.448 669 HG2 GLU 93 2HG GLU 93 -11.698 -6.324 -12.068 670 HG3 GLU 93 1HG GLU 93 -11.999 -4.835 -12.964
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