NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
514351 | 2lf0 | 17735 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 HT1 MET 1 -15.983 -0.578 -6.943 2 HA MET 1 HA MET 1 -16.970 -2.266 -5.616 3 HB2 MET 1 HB2 MET 1 -15.591 -4.149 -4.731 4 HB3 MET 1 HB1 MET 1 -15.808 -4.220 -6.472 5 HG2 MET 1 HG2 MET 1 -13.539 -3.346 -6.803 6 HG3 MET 1 HG1 MET 1 -13.311 -3.264 -5.053 7 HE1 MET 1 HE1 MET 1 -11.020 -6.285 -6.140 8 HE2 MET 1 HE2 MET 1 -11.070 -4.746 -5.281 9 HE3 MET 1 HE3 MET 1 -11.308 -4.789 -7.030 10 H LYS 2 HN LYS 2 -13.676 -0.976 -5.377 11 HA LYS 2 HA LYS 2 -12.735 0.596 -4.111 12 HB2 LYS 2 HB2 LYS 2 -15.366 0.874 -2.614 13 HB3 LYS 2 HB1 LYS 2 -14.013 1.997 -2.540 14 HG2 LYS 2 HG2 LYS 2 -15.753 1.428 -4.970 15 HG3 LYS 2 HG1 LYS 2 -15.790 2.878 -3.963 16 HD2 LYS 2 HD2 LYS 2 -13.489 3.443 -4.676 17 HD3 LYS 2 HD1 LYS 2 -13.423 1.980 -5.663 18 HE2 LYS 2 HE2 LYS 2 -15.248 2.842 -7.085 19 HE3 LYS 2 HE1 LYS 2 -15.368 4.285 -6.076 20 HZ1 LYS 2 HZ1 LYS 2 -14.103 4.692 -8.091 21 HZ2 LYS 2 HZ2 LYS 2 -12.988 3.500 -7.662 22 HZ3 LYS 2 HZ3 LYS 2 -13.136 4.890 -6.717 23 H GLU 3 HN GLU 3 -14.755 -1.416 -1.928 24 HA GLU 3 HA GLU 3 -14.222 -3.096 -0.559 25 HB2 GLU 3 HB2 GLU 3 -11.295 -2.382 -0.989 26 HB3 GLU 3 HB1 GLU 3 -11.855 -3.756 -0.043 27 HG2 GLU 3 HG2 GLU 3 -12.343 -3.337 -3.018 28 HG3 GLU 3 HG1 GLU 3 -11.133 -4.413 -2.317 29 H VAL 4 HN VAL 4 -13.021 0.134 0.081 30 HA VAL 4 HA VAL 4 -13.055 1.465 1.912 31 HB VAL 4 HB VAL 4 -14.520 -0.781 3.381 32 HG11 VAL 4 HG11 VAL 4 -14.456 2.200 4.001 33 HG12 VAL 4 HG12 VAL 4 -13.663 0.936 4.942 34 HG13 VAL 4 HG13 VAL 4 -15.425 0.992 4.854 35 HG21 VAL 4 HG21 VAL 4 -15.682 1.533 1.780 36 HG22 VAL 4 HG22 VAL 4 -16.618 0.396 2.753 37 HG23 VAL 4 HG23 VAL 4 -15.741 -0.175 1.332 38 H GLU 5 HN GLU 5 -11.423 -1.483 1.941 39 HA GLU 5 HA GLU 5 -9.995 -1.840 4.194 40 HB2 GLU 5 HB2 GLU 5 -9.736 -3.104 2.030 41 HB3 GLU 5 HB1 GLU 5 -8.705 -1.813 1.441 42 HG2 GLU 5 HG2 GLU 5 -7.303 -3.624 2.164 43 HG3 GLU 5 HG1 GLU 5 -7.111 -2.291 3.304 44 H LYS 6 HN LYS 6 -9.172 0.566 1.738 45 HA LYS 6 HA LYS 6 -6.848 1.708 2.749 46 HB2 LYS 6 HB2 LYS 6 -9.145 3.167 1.375 47 HB3 LYS 6 HB1 LYS 6 -7.556 3.861 1.647 48 HG2 LYS 6 HG2 LYS 6 -7.435 3.208 -0.582 49 HG3 LYS 6 HG1 LYS 6 -6.660 1.853 0.239 50 HD2 LYS 6 HD2 LYS 6 -8.685 0.503 0.014 51 HD3 LYS 6 HD1 LYS 6 -9.574 1.886 -0.626 52 HE2 LYS 6 HE2 LYS 6 -8.045 1.914 -2.599 53 HE3 LYS 6 HE1 LYS 6 -7.253 0.466 -1.973 54 HZ1 LYS 6 HZ1 LYS 6 -8.893 -0.078 -3.649 55 HZ2 LYS 6 HZ2 LYS 6 -10.110 0.685 -2.757 56 HZ3 LYS 6 HZ3 LYS 6 -9.361 -0.703 -2.150 57 H ASN 7 HN ASN 7 -10.175 2.274 3.820 58 HA ASN 7 HA ASN 7 -9.837 4.500 5.538 59 HB2 ASN 7 HB2 ASN 7 -12.004 3.356 4.683 60 HB3 ASN 7 HB1 ASN 7 -11.794 2.220 6.002 61 HD21 ASN 7 HD21 ASN 7 -13.982 3.983 5.461 62 HD22 ASN 7 HD22 ASN 7 -14.157 5.008 6.828 63 H GLU 8 HN GLU 8 -9.441 1.001 6.079 64 HA GLU 8 HA GLU 8 -9.018 1.071 8.871 65 HB2 GLU 8 HB2 GLU 8 -8.393 -0.962 6.718 66 HB3 GLU 8 HB1 GLU 8 -7.867 -1.234 8.371 67 HG2 GLU 8 HG2 GLU 8 -9.937 -2.410 7.915 68 HG3 GLU 8 HG1 GLU 8 -10.167 -1.191 9.160 69 H ILE 9 HN ILE 9 -6.572 1.049 6.149 70 HA ILE 9 HA ILE 9 -4.299 1.131 7.772 71 HB ILE 9 HB ILE 9 -4.674 2.318 4.982 72 HG12 ILE 9 HG12 ILE 9 -5.234 -0.091 5.021 73 HG13 ILE 9 HG11 ILE 9 -3.734 0.163 4.141 74 HG21 ILE 9 HG21 ILE 9 -2.211 2.113 4.721 75 HG22 ILE 9 HG22 ILE 9 -2.077 1.591 6.400 76 HG23 ILE 9 HG23 ILE 9 -2.636 3.220 6.029 77 HD11 ILE 9 HD11 ILE 9 -3.614 -1.831 5.533 78 HD12 ILE 9 HD12 ILE 9 -3.974 -0.883 6.974 79 HD13 ILE 9 HD13 ILE 9 -2.456 -0.627 6.102 80 H LYS 10 HN LYS 10 -6.343 3.730 6.506 81 HA LYS 10 HA LYS 10 -4.965 6.009 7.417 82 HB2 LYS 10 HB2 LYS 10 -6.891 6.075 5.878 83 HB3 LYS 10 HB1 LYS 10 -7.955 5.481 7.147 84 HG2 LYS 10 HG2 LYS 10 -7.258 7.669 8.430 85 HG3 LYS 10 HG1 LYS 10 -6.698 8.220 6.851 86 HD2 LYS 10 HD2 LYS 10 -8.974 9.039 7.239 87 HD3 LYS 10 HD1 LYS 10 -8.997 7.854 5.930 88 HE2 LYS 10 HE2 LYS 10 -9.790 6.124 7.508 89 HE3 LYS 10 HE1 LYS 10 -9.750 7.297 8.826 90 HZ1 LYS 10 HZ1 LYS 10 -11.479 7.408 6.423 91 HZ2 LYS 10 HZ2 LYS 10 -11.422 8.590 7.625 92 HZ3 LYS 10 HZ3 LYS 10 -11.969 7.039 7.998 93 H ARG 11 HN ARG 11 -7.430 4.063 8.957 94 HA ARG 11 HA ARG 11 -7.737 5.267 11.428 95 HB2 ARG 11 HB2 ARG 11 -9.191 3.462 10.637 96 HB3 ARG 11 HB1 ARG 11 -7.871 2.303 10.785 97 HG2 ARG 11 HG2 ARG 11 -7.853 2.527 13.212 98 HG3 ARG 11 HG1 ARG 11 -9.076 3.804 13.130 99 HD2 ARG 11 HD2 ARG 11 -9.472 0.909 12.283 100 HD3 ARG 11 HD1 ARG 11 -10.063 1.640 13.778 101 HE ARG 11 HE ARG 11 -11.428 3.145 12.360 102 HH11 ARG 11 HH11 ARG 11 -10.438 0.058 11.031 103 HH12 ARG 11 HH12 ARG 11 -11.711 0.029 9.849 104 HH21 ARG 11 HH21 ARG 11 -13.112 3.065 10.857 105 HH22 ARG 11 HH22 ARG 11 -13.236 1.715 9.774 106 H LEU 12 HN LEU 12 -5.499 2.460 10.855 107 HA LEU 12 HA LEU 12 -4.356 2.561 13.459 108 HB2 LEU 12 HB2 LEU 12 -2.611 1.010 12.566 109 HB3 LEU 12 HB1 LEU 12 -4.258 0.507 12.271 110 HG LEU 12 HG LEU 12 -3.787 1.697 9.888 111 HD11 LEU 12 HD11 LEU 12 -1.532 1.228 9.065 112 HD12 LEU 12 HD12 LEU 12 -1.030 0.723 10.682 113 HD13 LEU 12 HD13 LEU 12 -1.504 2.398 10.384 114 HD21 LEU 12 HD21 LEU 12 -4.570 -0.591 10.172 115 HD22 LEU 12 HD22 LEU 12 -2.931 -1.132 10.547 116 HD23 LEU 12 HD23 LEU 12 -3.312 -0.505 8.940 117 H SER 13 HN SER 13 -3.131 3.863 10.393 118 HA SER 13 HA SER 13 -0.948 5.283 11.146 119 HB2 SER 13 HB2 SER 13 -1.899 5.214 8.838 120 HB3 SER 13 HB1 SER 13 -3.132 6.373 9.335 121 HG SER 13 HG SER 13 -1.538 7.903 9.662 122 H ASP 14 HN ASP 14 -4.281 6.622 11.336 123 HA ASP 14 HA ASP 14 -3.772 9.020 12.656 124 HB2 ASP 14 HB2 ASP 14 -5.962 8.444 11.638 125 HB3 ASP 14 HB1 ASP 14 -6.230 7.219 12.869 126 H ARG 15 HN ARG 15 -4.099 5.804 13.885 127 HA ARG 15 HA ARG 15 -4.289 6.381 16.670 128 HB2 ARG 15 HB2 ARG 15 -4.823 4.121 15.732 129 HB3 ARG 15 HB1 ARG 15 -3.101 3.843 15.467 130 HG2 ARG 15 HG2 ARG 15 -3.860 2.747 17.535 131 HG3 ARG 15 HG1 ARG 15 -2.662 3.998 17.875 132 HD2 ARG 15 HD2 ARG 15 -4.689 5.555 18.329 133 HD3 ARG 15 HD1 ARG 15 -5.647 4.075 18.364 134 HE ARG 15 HE ARG 15 -4.144 3.329 20.211 135 HH11 ARG 15 HH11 ARG 15 -4.582 6.764 19.602 136 HH12 ARG 15 HH12 ARG 15 -4.145 7.227 21.214 137 HH21 ARG 15 HH21 ARG 15 -3.563 3.962 22.318 138 HH22 ARG 15 HH22 ARG 15 -3.550 5.644 22.743 139 H LEU 16 HN LEU 16 -1.388 5.330 14.761 140 HA LEU 16 HA LEU 16 0.452 5.712 16.860 141 HB2 LEU 16 HB2 LEU 16 0.627 4.287 14.696 142 HB3 LEU 16 HB1 LEU 16 1.105 5.760 13.886 143 HG LEU 16 HG LEU 16 3.002 4.197 14.525 144 HD11 LEU 16 HD11 LEU 16 3.238 6.964 15.735 145 HD12 LEU 16 HD12 LEU 16 3.506 6.542 14.043 146 HD13 LEU 16 HD13 LEU 16 4.576 5.899 15.287 147 HD21 LEU 16 HD21 LEU 16 2.126 3.448 16.693 148 HD22 LEU 16 HD22 LEU 16 2.400 5.057 17.368 149 HD23 LEU 16 HD23 LEU 16 3.765 4.077 16.830 150 H ASP 17 HN ASP 17 -0.497 7.834 14.134 151 HA ASP 17 HA ASP 17 1.243 9.951 14.466 152 HB2 ASP 17 HB2 ASP 17 -0.236 9.708 12.524 153 HB3 ASP 17 HB1 ASP 17 -1.656 9.976 13.533 154 H ALA 18 HN ALA 18 -2.104 9.821 15.743 155 HA ALA 18 HA ALA 18 -2.068 11.865 17.554 156 HB1 ALA 18 HB1 ALA 18 -3.812 10.697 18.803 157 HB2 ALA 18 HB2 ALA 18 -3.393 9.184 17.995 158 HB3 ALA 18 HB3 ALA 18 -4.057 10.526 17.063 159 H ILE 19 HN ILE 19 -0.577 8.665 17.985 160 HA ILE 19 HA ILE 19 -0.071 9.014 20.807 161 HB ILE 19 HB ILE 19 0.987 6.953 18.833 162 HG12 ILE 19 HG12 ILE 19 -0.915 6.811 21.231 163 HG13 ILE 19 HG11 ILE 19 -1.350 6.642 19.535 164 HG21 ILE 19 HG21 ILE 19 2.072 5.753 20.728 165 HG22 ILE 19 HG22 ILE 19 1.711 7.112 21.795 166 HG23 ILE 19 HG23 ILE 19 2.822 7.323 20.441 167 HD11 ILE 19 HD11 ILE 19 0.304 4.710 21.154 168 HD12 ILE 19 HD12 ILE 19 -0.089 4.537 19.441 169 HD13 ILE 19 HD13 ILE 19 -1.372 4.510 20.649 170 H ARG 20 HN ARG 20 2.182 9.245 17.941 171 HA ARG 20 HA ARG 20 4.371 10.162 19.398 172 HB2 ARG 20 HB2 ARG 20 5.339 10.797 17.221 173 HB3 ARG 20 HB1 ARG 20 4.606 9.196 17.166 174 HG2 ARG 20 HG2 ARG 20 2.707 10.008 15.945 175 HG3 ARG 20 HG1 ARG 20 3.179 11.687 16.192 176 HD2 ARG 20 HD2 ARG 20 4.759 9.675 14.561 177 HD3 ARG 20 HD1 ARG 20 3.631 10.860 13.891 178 HE ARG 20 HE ARG 20 5.812 11.892 15.546 179 HH11 ARG 20 HH11 ARG 20 4.616 11.384 12.294 180 HH12 ARG 20 HH12 ARG 20 5.720 12.514 11.588 181 HH21 ARG 20 HH21 ARG 20 7.234 13.379 14.610 182 HH22 ARG 20 HH22 ARG 20 7.203 13.641 12.894 183 H HIS 21 HN HIS 21 1.711 12.126 17.852 184 HA HIS 21 HA HIS 21 2.851 14.622 18.420 185 HB2 HIS 21 HB2 HIS 21 0.859 14.096 16.892 186 HB3 HIS 21 HB1 HIS 21 -0.127 13.978 18.334 187 HD1 HIS 21 HD1 HIS 21 -1.482 16.049 18.493 188 HD2 HIS 21 HD2 HIS 21 2.394 16.854 17.235 189 HE1 HIS 21 HE1 HIS 21 -1.340 18.545 18.288 190 HE2 HIS 21 HE2 HIS 21 1.062 19.013 17.716 191 H GLN 22 HN GLN 22 0.702 12.589 20.142 192 HA GLN 22 HA GLN 22 0.298 14.027 22.540 193 HB2 GLN 22 HB2 GLN 22 -1.070 12.175 22.345 194 HB3 GLN 22 HB1 GLN 22 0.216 11.134 21.757 195 HG2 GLN 22 HG2 GLN 22 1.103 10.955 24.040 196 HG3 GLN 22 HG1 GLN 22 -0.216 11.978 24.626 197 HE21 GLN 22 HE21 GLN 22 0.529 8.897 23.083 198 HE22 GLN 22 HE22 GLN 22 -0.932 8.094 23.540 199 H GLN 23 HN GLN 23 3.026 11.922 21.543 200 HA GLN 23 HA GLN 23 4.520 12.394 23.968 201 HB2 GLN 23 HB2 GLN 23 5.233 11.060 21.333 202 HB3 GLN 23 HB1 GLN 23 6.305 11.121 22.733 203 HG2 GLN 23 HG2 GLN 23 4.677 9.848 24.056 204 HG3 GLN 23 HG1 GLN 23 3.576 9.811 22.677 205 HE21 GLN 23 HE21 GLN 23 6.525 8.536 24.027 206 HE22 GLN 23 HE22 GLN 23 6.731 7.262 22.879 207 H ALA 24 HN ALA 24 4.322 13.954 20.823 208 HA ALA 24 HA ALA 24 6.553 15.604 21.034 209 HB1 ALA 24 HB1 ALA 24 5.134 15.531 19.023 210 HB2 ALA 24 HB2 ALA 24 5.405 17.188 19.567 211 HB3 ALA 24 HB3 ALA 24 3.860 16.393 19.884 212 H ASP 25 HN ASP 25 3.205 16.297 22.238 213 HA ASP 25 HA ASP 25 3.823 18.520 23.788 214 HB2 ASP 25 HB2 ASP 25 1.734 16.360 24.260 215 HB3 ASP 25 HB1 ASP 25 1.746 17.933 25.048 216 H LEU 26 HN LEU 26 4.446 15.128 24.428 217 HA LEU 26 HA LEU 26 5.060 15.707 27.275 218 HB2 LEU 26 HB2 LEU 26 4.896 13.014 25.882 219 HB3 LEU 26 HB1 LEU 26 5.136 13.277 27.607 220 HG LEU 26 HG LEU 26 2.634 13.894 26.000 221 HD11 LEU 26 HD11 LEU 26 1.551 12.241 27.419 222 HD12 LEU 26 HD12 LEU 26 3.081 11.927 28.243 223 HD13 LEU 26 HD13 LEU 26 2.903 11.540 26.529 224 HD21 LEU 26 HD21 LEU 26 3.111 14.497 28.928 225 HD22 LEU 26 HD22 LEU 26 1.570 14.632 28.074 226 HD23 LEU 26 HD23 LEU 26 2.912 15.678 27.630 227 H SER 27 HN SER 27 7.108 16.173 27.788 228 HA SER 27 HA SER 27 9.334 15.358 26.074 229 HB2 SER 27 HB2 SER 27 9.380 17.628 27.036 230 HB3 SER 27 HB1 SER 27 9.309 16.966 28.668 231 HG SER 27 HG SER 27 11.449 17.465 27.210 232 H LEU 28 HN LEU 28 11.077 14.103 26.833 233 HA LEU 28 HA LEU 28 10.488 11.890 28.503 234 HB2 LEU 28 HB2 LEU 28 12.701 11.109 28.092 235 HB3 LEU 28 HB1 LEU 28 12.115 11.815 26.601 236 HG LEU 28 HG LEU 28 14.065 13.199 28.498 237 HD11 LEU 28 HD11 LEU 28 15.821 12.660 26.866 238 HD12 LEU 28 HD12 LEU 28 14.666 11.731 25.908 239 HD13 LEU 28 HD13 LEU 28 15.100 11.197 27.534 240 HD21 LEU 28 HD21 LEU 28 13.277 13.935 25.656 241 HD22 LEU 28 HD22 LEU 28 14.473 14.768 26.653 242 HD23 LEU 28 HD23 LEU 28 12.772 14.785 27.118 243 H VAL 29 HN VAL 29 11.646 15.067 29.185 244 HA VAL 29 HA VAL 29 12.924 14.479 31.726 245 HB VAL 29 HB VAL 29 12.050 17.173 30.562 246 HG11 VAL 29 HG11 VAL 29 13.973 16.601 32.863 247 HG12 VAL 29 HG12 VAL 29 12.374 17.330 32.996 248 HG13 VAL 29 HG13 VAL 29 13.662 18.192 32.159 249 HG21 VAL 29 HG21 VAL 29 13.670 16.036 29.097 250 HG22 VAL 29 HG22 VAL 29 14.785 15.832 30.449 251 HG23 VAL 29 HG23 VAL 29 14.402 17.451 29.856 252 H GLU 30 HN GLU 30 9.819 15.886 30.642 253 HA GLU 30 HA GLU 30 8.927 16.343 33.391 254 HB2 GLU 30 HB2 GLU 30 6.982 17.449 32.432 255 HB3 GLU 30 HB1 GLU 30 8.437 18.023 31.626 256 HG2 GLU 30 HG2 GLU 30 7.945 16.434 29.739 257 HG3 GLU 30 HG1 GLU 30 6.425 16.033 30.530 258 H ALA 31 HN ALA 31 8.600 13.921 30.980 259 HA ALA 31 HA ALA 31 6.639 12.444 32.622 260 HB1 ALA 31 HB1 ALA 31 5.434 11.745 30.569 261 HB2 ALA 31 HB2 ALA 31 6.472 12.793 29.597 262 HB3 ALA 31 HB3 ALA 31 5.373 13.497 30.784 263 H ALA 32 HN ALA 32 9.023 11.753 33.161 264 HA ALA 32 HA ALA 32 10.238 9.826 31.344 265 HB1 ALA 32 HB1 ALA 32 11.659 11.242 32.797 266 HB2 ALA 32 HB2 ALA 32 11.896 9.528 33.151 267 HB3 ALA 32 HB3 ALA 32 10.914 10.523 34.228 268 H ASP 33 HN ASP 33 7.981 8.816 31.396 269 HA ASP 33 HA ASP 33 7.527 6.558 32.870 270 HB2 ASP 33 HB2 ASP 33 7.183 7.954 34.888 271 HB3 ASP 33 HB1 ASP 33 6.004 8.944 34.041 272 H LYS 34 HN LYS 34 5.013 9.050 32.356 273 HA LYS 34 HA LYS 34 3.357 7.627 30.715 274 HB2 LYS 34 HB2 LYS 34 2.797 9.789 31.809 275 HB3 LYS 34 HB1 LYS 34 3.785 10.634 30.625 276 HG2 LYS 34 HG2 LYS 34 1.460 10.854 30.017 277 HG3 LYS 34 HG1 LYS 34 2.275 9.843 28.821 278 HD2 LYS 34 HD2 LYS 34 1.368 7.816 30.044 279 HD3 LYS 34 HD1 LYS 34 0.433 8.918 31.058 280 HE2 LYS 34 HE2 LYS 34 -0.710 9.779 29.026 281 HE3 LYS 34 HE1 LYS 34 0.197 8.630 28.041 282 HZ1 LYS 34 HZ1 LYS 34 -1.986 7.797 28.505 283 HZ2 LYS 34 HZ2 LYS 34 -1.762 7.980 30.170 284 HZ3 LYS 34 HZ3 LYS 34 -0.857 6.835 29.315 285 H TYR 35 HN TYR 35 5.954 9.795 29.680 286 HA TYR 35 HA TYR 35 5.617 9.536 26.843 287 HB2 TYR 35 HB2 TYR 35 6.981 11.367 27.787 288 HB3 TYR 35 HB1 TYR 35 8.136 10.212 28.415 289 HD1 TYR 35 HD2 TYR 35 6.829 11.732 25.284 290 HD2 TYR 35 HD1 TYR 35 9.928 9.349 27.014 291 HE1 TYR 35 HE2 TYR 35 8.144 11.929 23.228 292 HE2 TYR 35 HE1 TYR 35 11.238 9.554 24.945 293 HH TYR 35 HH TYR 35 10.875 10.020 22.564 294 H ALA 36 HN ALA 36 7.449 7.719 29.247 295 HA ALA 36 HA ALA 36 8.977 6.076 27.513 296 HB1 ALA 36 HB1 ALA 36 9.599 6.516 29.854 297 HB2 ALA 36 HB2 ALA 36 9.508 4.785 29.524 298 HB3 ALA 36 HB3 ALA 36 8.203 5.588 30.404 299 H GLU 37 HN GLU 37 5.917 5.436 29.242 300 HA GLU 37 HA GLU 37 5.503 2.838 28.303 301 HB2 GLU 37 HB2 GLU 37 3.318 4.787 29.133 302 HB3 GLU 37 HB1 GLU 37 3.234 3.026 29.154 303 HG2 GLU 37 HG2 GLU 37 4.808 4.846 30.983 304 HG3 GLU 37 HG1 GLU 37 3.519 3.738 31.403 305 H LEU 38 HN LEU 38 4.096 5.843 27.233 306 HA LEU 38 HA LEU 38 2.856 5.044 24.887 307 HB2 LEU 38 HB2 LEU 38 4.358 7.623 25.335 308 HB3 LEU 38 HB1 LEU 38 3.243 7.338 23.999 309 HG LEU 38 HG LEU 38 2.491 7.275 26.947 310 HD11 LEU 38 HD11 LEU 38 1.918 9.378 24.853 311 HD12 LEU 38 HD12 LEU 38 3.010 9.530 26.230 312 HD13 LEU 38 HD13 LEU 38 1.280 9.357 26.502 313 HD21 LEU 38 HD21 LEU 38 0.712 7.001 24.499 314 HD22 LEU 38 HD22 LEU 38 0.155 7.148 26.168 315 HD23 LEU 38 HD23 LEU 38 1.085 5.737 25.675 316 H GLU 39 HN GLU 39 6.326 5.786 25.174 317 HA GLU 39 HA GLU 39 7.203 5.030 22.607 318 HB2 GLU 39 HB2 GLU 39 8.562 4.758 25.308 319 HB3 GLU 39 HB1 GLU 39 9.382 4.314 23.820 320 HG2 GLU 39 HG2 GLU 39 8.263 7.085 24.364 321 HG3 GLU 39 HG1 GLU 39 9.922 6.610 24.724 322 H LYS 40 HN LYS 40 6.420 3.087 25.306 323 HA LYS 40 HA LYS 40 7.184 0.482 24.214 324 HB2 LYS 40 HB2 LYS 40 5.245 1.008 26.494 325 HB3 LYS 40 HB1 LYS 40 5.942 -0.560 26.088 326 HG2 LYS 40 HG2 LYS 40 8.194 0.297 26.623 327 HG3 LYS 40 HG1 LYS 40 7.506 1.877 26.991 328 HD2 LYS 40 HD2 LYS 40 6.174 0.867 28.825 329 HD3 LYS 40 HD1 LYS 40 6.909 -0.704 28.487 330 HE2 LYS 40 HE2 LYS 40 9.105 0.147 29.131 331 HE3 LYS 40 HE1 LYS 40 8.461 1.780 29.312 332 HZ1 LYS 40 HZ1 LYS 40 7.726 -0.574 30.960 333 HZ2 LYS 40 HZ2 LYS 40 7.057 0.968 31.113 334 HZ3 LYS 40 HZ3 LYS 40 8.693 0.724 31.443 335 H GLU 41 HN GLU 41 3.969 1.923 24.730 336 HA GLU 41 HA GLU 41 2.276 0.259 23.350 337 HB2 GLU 41 HB2 GLU 41 2.127 3.308 23.421 338 HB3 GLU 41 HB1 GLU 41 0.791 2.232 23.024 339 HG2 GLU 41 HG2 GLU 41 2.165 2.534 25.706 340 HG3 GLU 41 HG1 GLU 41 0.538 3.058 25.282 341 H LYS 42 HN LYS 42 4.158 2.917 22.167 342 HA LYS 42 HA LYS 42 3.553 2.797 19.392 343 HB2 LYS 42 HB2 LYS 42 4.730 4.743 20.330 344 HB3 LYS 42 HB1 LYS 42 6.118 3.743 20.742 345 HG2 LYS 42 HG2 LYS 42 6.455 3.280 18.293 346 HG3 LYS 42 HG1 LYS 42 5.152 4.417 17.941 347 HD2 LYS 42 HD2 LYS 42 7.729 5.092 19.395 348 HD3 LYS 42 HD1 LYS 42 7.417 5.424 17.692 349 HE2 LYS 42 HE2 LYS 42 5.607 6.952 18.296 350 HE3 LYS 42 HE1 LYS 42 5.815 6.573 20.005 351 HZ1 LYS 42 HZ1 LYS 42 6.870 8.643 19.455 352 HZ2 LYS 42 HZ2 LYS 42 7.813 7.900 18.265 353 HZ3 LYS 42 HZ3 LYS 42 8.039 7.512 19.897 354 H ALA 43 HN ALA 43 6.343 1.552 21.152 355 HA ALA 43 HA ALA 43 7.770 0.188 19.252 356 HB1 ALA 43 HB1 ALA 43 8.567 0.495 21.564 357 HB2 ALA 43 HB2 ALA 43 8.763 -1.179 21.039 358 HB3 ALA 43 HB3 ALA 43 7.438 -0.741 22.120 359 H THR 44 HN THR 44 5.141 -1.159 21.104 360 HA THR 44 HA THR 44 5.076 -3.754 19.887 361 HB THR 44 HB THR 44 2.856 -2.449 21.525 362 HG1 THR 44 HG1 THR 44 4.353 -2.465 23.010 363 HG21 THR 44 HG21 THR 44 3.556 -5.388 21.078 364 HG22 THR 44 HG22 THR 44 2.150 -4.551 20.421 365 HG23 THR 44 HG23 THR 44 2.292 -4.792 22.161 366 H LEU 45 HN LEU 45 2.930 -0.895 19.622 367 HA LEU 45 HA LEU 45 1.230 -1.733 17.624 368 HB2 LEU 45 HB2 LEU 45 2.325 0.979 18.257 369 HB3 LEU 45 HB1 LEU 45 1.620 0.795 16.661 370 HG LEU 45 HG LEU 45 0.172 0.387 19.302 371 HD11 LEU 45 HD11 LEU 45 -1.173 2.316 18.589 372 HD12 LEU 45 HD12 LEU 45 -0.159 2.489 17.154 373 HD13 LEU 45 HD13 LEU 45 0.533 2.734 18.758 374 HD21 LEU 45 HD21 LEU 45 -0.869 0.014 16.473 375 HD22 LEU 45 HD22 LEU 45 -1.862 0.030 17.931 376 HD23 LEU 45 HD23 LEU 45 -0.674 -1.248 17.697 377 H GLU 46 HN GLU 46 4.423 -0.290 17.098 378 HA GLU 46 HA GLU 46 4.678 -0.618 14.378 379 HB2 GLU 46 HB2 GLU 46 6.881 -0.746 16.475 380 HB3 GLU 46 HB1 GLU 46 7.117 -0.439 14.758 381 HG2 GLU 46 HG2 GLU 46 5.800 1.663 14.969 382 HG3 GLU 46 HG1 GLU 46 5.603 1.355 16.689 383 H ALA 47 HN ALA 47 6.554 -2.663 16.586 384 HA ALA 47 HA ALA 47 7.195 -4.938 15.438 385 HB1 ALA 47 HB1 ALA 47 7.400 -4.571 17.859 386 HB2 ALA 47 HB2 ALA 47 6.784 -6.189 17.520 387 HB3 ALA 47 HB3 ALA 47 5.678 -4.921 18.067 388 H GLU 48 HN GLU 48 3.836 -4.607 16.557 389 HA GLU 48 HA GLU 48 2.620 -6.837 15.425 390 HB2 GLU 48 HB2 GLU 48 1.589 -5.384 17.156 391 HB3 GLU 48 HB1 GLU 48 1.504 -4.057 16.009 392 HG2 GLU 48 HG2 GLU 48 -0.679 -4.854 16.107 393 HG3 GLU 48 HG1 GLU 48 -0.043 -5.545 14.618 394 H ILE 49 HN ILE 49 2.241 -3.561 14.287 395 HA ILE 49 HA ILE 49 1.139 -4.244 11.742 396 HB ILE 49 HB ILE 49 1.169 -1.945 11.057 397 HG12 ILE 49 HG12 ILE 49 3.136 -1.414 13.335 398 HG13 ILE 49 HG11 ILE 49 3.523 -1.383 11.616 399 HG21 ILE 49 HG21 ILE 49 -0.489 -2.510 12.779 400 HG22 ILE 49 HG22 ILE 49 0.022 -0.830 12.938 401 HG23 ILE 49 HG23 ILE 49 0.650 -2.052 14.047 402 HD11 ILE 49 HD11 ILE 49 1.685 0.517 13.059 403 HD12 ILE 49 HD12 ILE 49 2.082 0.562 11.337 404 HD13 ILE 49 HD13 ILE 49 3.340 0.838 12.544 405 H ALA 50 HN ALA 50 4.284 -4.731 12.593 406 HA ALA 50 HA ALA 50 5.448 -4.193 9.940 407 HB1 ALA 50 HB1 ALA 50 6.842 -4.498 12.623 408 HB2 ALA 50 HB2 ALA 50 6.593 -2.983 11.756 409 HB3 ALA 50 HB3 ALA 50 7.645 -4.226 11.073 410 H ARG 51 HN ARG 51 5.093 -6.383 12.527 411 HA ARG 51 HA ARG 51 5.926 -8.877 11.415 412 HB2 ARG 51 HB2 ARG 51 5.126 -8.629 13.807 413 HB3 ARG 51 HB1 ARG 51 3.472 -8.561 13.212 414 HG2 ARG 51 HG2 ARG 51 3.956 -10.797 14.046 415 HG3 ARG 51 HG1 ARG 51 3.715 -10.855 12.299 416 HD2 ARG 51 HD2 ARG 51 6.187 -10.850 11.981 417 HD3 ARG 51 HD1 ARG 51 6.388 -10.870 13.738 418 HE ARG 51 HE ARG 51 4.805 -13.035 13.243 419 HH11 ARG 51 HH11 ARG 51 7.954 -12.022 12.031 420 HH12 ARG 51 HH12 ARG 51 8.507 -13.648 11.783 421 HH21 ARG 51 HH21 ARG 51 5.546 -15.156 12.897 422 HH22 ARG 51 HH22 ARG 51 7.138 -15.420 12.261 423 H LEU 52 HN LEU 52 2.833 -7.341 11.370 424 HA LEU 52 HA LEU 52 1.495 -8.820 9.393 425 HB2 LEU 52 HB2 LEU 52 1.111 -6.063 10.543 426 HB3 LEU 52 HB1 LEU 52 0.270 -6.435 9.051 427 HG LEU 52 HG LEU 52 -1.230 -6.800 10.938 428 HD11 LEU 52 HD11 LEU 52 -1.942 -9.092 10.511 429 HD12 LEU 52 HD12 LEU 52 -0.389 -9.464 9.762 430 HD13 LEU 52 HD13 LEU 52 -1.478 -8.295 9.010 431 HD21 LEU 52 HD21 LEU 52 -0.807 -8.514 12.660 432 HD22 LEU 52 HD22 LEU 52 0.382 -7.218 12.721 433 HD23 LEU 52 HD23 LEU 52 0.814 -8.774 12.009 434 H ARG 53 HN ARG 53 3.291 -5.673 9.013 435 HA ARG 53 HA ARG 53 3.212 -5.880 6.170 436 HB2 ARG 53 HB2 ARG 53 4.597 -3.932 8.015 437 HB3 ARG 53 HB1 ARG 53 4.795 -3.863 6.266 438 HG2 ARG 53 HG2 ARG 53 2.327 -3.560 6.012 439 HG3 ARG 53 HG1 ARG 53 2.156 -3.570 7.768 440 HD2 ARG 53 HD2 ARG 53 2.152 -1.271 7.016 441 HD3 ARG 53 HD1 ARG 53 3.670 -1.564 7.878 442 HE ARG 53 HE ARG 53 3.766 -1.914 4.987 443 HH11 ARG 53 HH11 ARG 53 4.398 0.298 7.635 444 HH12 ARG 53 HH12 ARG 53 5.340 1.376 6.654 445 HH21 ARG 53 HH21 ARG 53 4.987 -0.486 3.731 446 HH22 ARG 53 HH22 ARG 53 5.667 0.943 4.449 447 H GLU 54 HN GLU 54 5.212 -7.628 8.286 448 HA GLU 54 HA GLU 54 7.294 -7.831 6.228 449 HB2 GLU 54 HB2 GLU 54 8.553 -9.286 7.572 450 HB3 GLU 54 HB1 GLU 54 7.918 -8.088 8.687 451 HG2 GLU 54 HG2 GLU 54 6.286 -9.689 9.531 452 HG3 GLU 54 HG1 GLU 54 6.783 -10.875 8.328 453 H VAL 55 HN VAL 55 4.902 -10.427 7.626 454 HA VAL 55 HA VAL 55 4.406 -11.762 5.496 455 HB VAL 55 HB VAL 55 2.102 -10.266 6.820 456 HG11 VAL 55 HG11 VAL 55 0.730 -12.231 6.182 457 HG12 VAL 55 HG12 VAL 55 2.116 -12.922 5.334 458 HG13 VAL 55 HG13 VAL 55 1.394 -11.417 4.764 459 HG21 VAL 55 HG21 VAL 55 1.943 -12.187 8.369 460 HG22 VAL 55 HG22 VAL 55 3.505 -11.383 8.514 461 HG23 VAL 55 HG23 VAL 55 3.378 -12.906 7.634 462 H HIS 56 HN HIS 56 3.925 -8.237 5.446 463 HA HIS 56 HA HIS 56 2.771 -8.446 2.726 464 HB2 HIS 56 HB2 HIS 56 2.295 -6.329 4.856 465 HB3 HIS 56 HB1 HIS 56 1.942 -6.052 3.160 466 HD1 HIS 56 HD1 HIS 56 -0.455 -6.418 2.649 467 HD2 HIS 56 HD2 HIS 56 0.833 -8.899 5.724 468 HE1 HIS 56 HE1 HIS 56 -2.467 -7.744 3.341 469 HE2 HIS 56 HE2 HIS 56 -1.635 -9.330 5.105 470 H SER 57 HN SER 57 5.573 -8.609 3.604 471 HA SER 57 HA SER 57 6.646 -6.575 1.734 472 HB2 SER 57 HB2 SER 57 7.448 -5.956 3.996 473 HB3 SER 57 HB1 SER 57 8.048 -7.593 4.253 474 HG SER 57 HG SER 57 9.813 -6.976 3.324 475 H GLN 58 HN GLN 58 7.477 -9.623 3.408 476 HA GLN 58 HA GLN 58 8.888 -10.983 1.444 477 HB2 GLN 58 HB2 GLN 58 6.821 -12.176 3.354 478 HB3 GLN 58 HB1 GLN 58 8.121 -13.065 2.563 479 HG2 GLN 58 HG2 GLN 58 9.794 -11.987 3.907 480 HG3 GLN 58 HG1 GLN 58 8.641 -10.796 4.514 481 HE21 GLN 58 HE21 GLN 58 8.941 -11.286 6.675 482 HE22 GLN 58 HE22 GLN 58 8.466 -12.781 7.395 483 H LYS 59 HN LYS 59 5.398 -10.806 2.021 484 HA LYS 59 HA LYS 59 4.855 -11.337 -0.833 485 HB2 LYS 59 HB2 LYS 59 2.866 -11.517 1.474 486 HB3 LYS 59 HB1 LYS 59 2.589 -11.983 -0.202 487 HG2 LYS 59 HG2 LYS 59 4.029 -13.895 0.011 488 HG3 LYS 59 HG1 LYS 59 4.611 -13.355 1.587 489 HD2 LYS 59 HD2 LYS 59 2.340 -13.680 2.537 490 HD3 LYS 59 HD1 LYS 59 1.760 -14.224 0.958 491 HE2 LYS 59 HE2 LYS 59 3.962 -15.585 2.527 492 HE3 LYS 59 HE1 LYS 59 2.270 -16.083 2.562 493 HZ1 LYS 59 HZ1 LYS 59 4.047 -16.059 0.190 494 HZ2 LYS 59 HZ2 LYS 59 2.405 -16.452 0.164 495 HZ3 LYS 59 HZ3 LYS 59 3.493 -17.417 1.019 496 H LEU 60 HN LEU 60 5.606 -9.099 -1.143 497 HA LEU 60 HA LEU 60 5.036 -6.848 0.300 498 HB2 LEU 60 HB2 LEU 60 6.586 -7.017 -1.672 499 HB3 LEU 60 HB1 LEU 60 5.205 -6.873 -2.739 500 HG LEU 60 HG LEU 60 5.875 -4.648 -0.761 501 HD11 LEU 60 HD11 LEU 60 7.187 -3.495 -2.488 502 HD12 LEU 60 HD12 LEU 60 7.023 -4.888 -3.559 503 HD13 LEU 60 HD13 LEU 60 7.928 -5.034 -2.051 504 HD21 LEU 60 HD21 LEU 60 4.432 -4.564 -3.441 505 HD22 LEU 60 HD22 LEU 60 4.734 -3.180 -2.386 506 HD23 LEU 60 HD23 LEU 60 3.669 -4.476 -1.852 507 H SER 61 HN SER 61 3.156 -7.852 -2.499 508 HA SER 61 HA SER 61 0.674 -7.464 -1.042 509 HB2 SER 61 HB2 SER 61 0.959 -5.296 -2.286 510 HB3 SER 61 HB1 SER 61 1.105 -6.194 -3.796 511 HG SER 61 HG SER 61 -1.012 -5.429 -3.484 512 H LYS 62 HN LYS 62 -1.142 -8.428 -2.626 513 HA LYS 62 HA LYS 62 -0.429 -11.082 -3.267 514 HB2 LYS 62 HB2 LYS 62 -2.828 -9.457 -4.198 515 HB3 LYS 62 HB1 LYS 62 -2.665 -11.197 -4.423 516 HG2 LYS 62 HG2 LYS 62 -2.613 -11.508 -1.978 517 HG3 LYS 62 HG1 LYS 62 -2.777 -9.768 -1.748 518 HD2 LYS 62 HD2 LYS 62 -4.848 -11.496 -3.170 519 HD3 LYS 62 HD1 LYS 62 -4.917 -11.098 -1.456 520 HE2 LYS 62 HE2 LYS 62 -6.400 -9.592 -2.587 521 HE3 LYS 62 HE1 LYS 62 -4.990 -8.652 -2.115 522 HZ1 LYS 62 HZ1 LYS 62 -5.826 -8.215 -4.387 523 HZ2 LYS 62 HZ2 LYS 62 -5.373 -9.781 -4.832 524 HZ3 LYS 62 HZ3 LYS 62 -4.204 -8.667 -4.341 525 H GLU 63 HN GLU 63 -1.571 -8.653 -5.577 526 HA GLU 63 HA GLU 63 -0.748 -9.687 -7.981 527 HB2 GLU 63 HB2 GLU 63 -1.101 -6.805 -7.088 528 HB3 GLU 63 HB1 GLU 63 -0.723 -7.222 -8.752 529 HG2 GLU 63 HG2 GLU 63 -3.063 -6.814 -8.525 530 HG3 GLU 63 HG1 GLU 63 -2.791 -8.505 -8.922 531 H ALA 64 HN ALA 64 1.041 -7.383 -5.893 532 HA ALA 64 HA ALA 64 3.165 -6.901 -7.628 533 HB1 ALA 64 HB1 ALA 64 3.210 -6.860 -4.590 534 HB2 ALA 64 HB2 ALA 64 2.730 -5.525 -5.637 535 HB3 ALA 64 HB3 ALA 64 4.400 -6.094 -5.649 536 H GLN 65 HN GLN 65 3.004 -9.163 -4.857 537 HA GLN 65 HA GLN 65 5.567 -10.284 -5.098 538 HB2 GLN 65 HB2 GLN 65 3.800 -10.539 -3.191 539 HB3 GLN 65 HB1 GLN 65 3.215 -11.921 -4.101 540 HG2 GLN 65 HG2 GLN 65 6.088 -11.640 -3.164 541 HG3 GLN 65 HG1 GLN 65 4.837 -12.401 -2.193 542 HE21 GLN 65 HE21 GLN 65 7.321 -13.442 -3.310 543 HE22 GLN 65 HE22 GLN 65 6.887 -14.845 -4.224 544 H LYS 66 HN LYS 66 2.476 -11.436 -6.654 545 HA LYS 66 HA LYS 66 3.724 -13.542 -8.058 546 HB2 LYS 66 HB2 LYS 66 1.740 -13.899 -9.273 547 HB3 LYS 66 HB1 LYS 66 1.257 -13.400 -7.657 548 HG2 LYS 66 HG2 LYS 66 0.697 -11.198 -8.441 549 HG3 LYS 66 HG1 LYS 66 1.362 -11.547 -10.037 550 HD2 LYS 66 HD2 LYS 66 -0.396 -13.257 -10.379 551 HD3 LYS 66 HD1 LYS 66 -1.080 -12.854 -8.795 552 HE2 LYS 66 HE2 LYS 66 -1.467 -10.549 -9.540 553 HE3 LYS 66 HE1 LYS 66 -0.752 -10.921 -11.109 554 HZ1 LYS 66 HZ1 LYS 66 -3.180 -10.957 -11.166 555 HZ2 LYS 66 HZ2 LYS 66 -3.202 -12.182 -10.005 556 HZ3 LYS 66 HZ3 LYS 66 -2.530 -12.473 -11.527 557 H LEU 67 HN LEU 67 3.069 -10.115 -9.189 558 HA LEU 67 HA LEU 67 4.193 -10.237 -11.641 559 HB2 LEU 67 HB2 LEU 67 4.456 -7.999 -9.594 560 HB3 LEU 67 HB1 LEU 67 4.887 -7.839 -11.289 561 HG LEU 67 HG LEU 67 2.083 -8.284 -10.187 562 HD11 LEU 67 HD11 LEU 67 3.276 -5.852 -11.561 563 HD12 LEU 67 HD12 LEU 67 2.920 -5.988 -9.837 564 HD13 LEU 67 HD13 LEU 67 1.606 -6.021 -11.012 565 HD21 LEU 67 HD21 LEU 67 1.261 -8.093 -12.468 566 HD22 LEU 67 HD22 LEU 67 2.383 -9.449 -12.359 567 HD23 LEU 67 HD23 LEU 67 2.905 -7.922 -13.082 568 H MET 68 HN MET 68 5.964 -10.681 -8.556 569 HA MET 68 HA MET 68 8.495 -9.815 -9.704 570 HB2 MET 68 HB2 MET 68 7.811 -11.062 -7.001 571 HB3 MET 68 HB1 MET 68 9.374 -10.385 -7.460 572 HG2 MET 68 HG2 MET 68 8.425 -8.171 -7.593 573 HG3 MET 68 HG1 MET 68 6.807 -8.798 -7.330 574 HE1 MET 68 HE1 MET 68 7.379 -6.835 -4.054 575 HE2 MET 68 HE2 MET 68 6.312 -7.111 -5.429 576 HE3 MET 68 HE3 MET 68 7.900 -6.381 -5.676 577 H LYS 69 HN LYS 69 6.712 -12.757 -8.682 578 HA LYS 69 HA LYS 69 8.845 -14.506 -9.686 579 HB2 LYS 69 HB2 LYS 69 7.552 -16.334 -8.700 580 HB3 LYS 69 HB1 LYS 69 7.743 -15.034 -7.529 581 HG2 LYS 69 HG2 LYS 69 5.442 -14.294 -7.910 582 HG3 LYS 69 HG1 LYS 69 5.241 -15.496 -9.188 583 HD2 LYS 69 HD2 LYS 69 5.602 -17.299 -7.484 584 HD3 LYS 69 HD1 LYS 69 5.668 -16.061 -6.227 585 HE2 LYS 69 HE2 LYS 69 3.349 -15.411 -6.720 586 HE3 LYS 69 HE1 LYS 69 3.285 -16.566 -8.052 587 HZ1 LYS 69 HZ1 LYS 69 3.594 -17.222 -5.176 588 HZ2 LYS 69 HZ2 LYS 69 3.627 -18.346 -6.435 589 HZ3 LYS 69 HZ3 LYS 69 2.218 -17.470 -6.124 590 H MET 70 HN MET 70 6.847 -12.817 -11.476 591 HA MET 70 HA MET 70 5.259 -14.539 -13.021 592 HB2 MET 70 HB2 MET 70 6.501 -11.850 -13.501 593 HB3 MET 70 HB1 MET 70 5.939 -12.705 -14.924 594 HG2 MET 70 HG2 MET 70 4.213 -12.024 -12.541 595 HG3 MET 70 HG1 MET 70 4.297 -11.095 -14.037 596 HE1 MET 70 HE1 MET 70 1.903 -11.212 -15.026 597 HE2 MET 70 HE2 MET 70 1.476 -11.699 -13.381 598 HE3 MET 70 HE3 MET 70 0.839 -12.600 -14.760 599 HA PRO 71 HA PRO 71 8.299 -16.754 -15.544 600 HB2 PRO 71 HB2 PRO 71 6.752 -17.519 -17.674 601 HB3 PRO 71 HB1 PRO 71 6.651 -18.282 -16.082 602 HG2 PRO 71 HG2 PRO 71 4.870 -16.189 -17.298 603 HG3 PRO 71 HG1 PRO 71 4.426 -17.617 -16.338 604 HD2 PRO 71 HD2 PRO 71 4.559 -15.081 -15.291 605 HD3 PRO 71 HD1 PRO 71 4.845 -16.544 -14.325 606 H PHE 72 HN PHE 72 6.204 -14.656 -17.649 607 HA PHE 72 HA PHE 72 8.593 -14.217 -19.397 608 HB2 PHE 72 HB2 PHE 72 5.645 -13.989 -20.202 609 HB3 PHE 72 HB1 PHE 72 7.034 -13.796 -21.266 610 HD1 PHE 72 HD2 PHE 72 8.476 -15.846 -21.787 611 HD2 PHE 72 HD1 PHE 72 4.714 -16.140 -19.781 612 HE1 PHE 72 HE2 PHE 72 8.342 -18.236 -22.358 613 HE2 PHE 72 HE1 PHE 72 4.596 -18.526 -20.350 614 HZ PHE 72 HZ PHE 72 6.410 -19.581 -21.641 615 H GLN 73 HN GLN 73 9.329 -11.947 -19.250 616 HA GLN 73 HA GLN 73 7.481 -9.853 -18.721 617 HB2 GLN 73 HB2 GLN 73 8.125 -9.187 -16.492 618 HB3 GLN 73 HB1 GLN 73 7.619 -10.868 -16.415 619 HG2 GLN 73 HG2 GLN 73 10.510 -9.934 -16.469 620 HG3 GLN 73 HG1 GLN 73 9.610 -10.325 -15.009 621 HE21 GLN 73 HE21 GLN 73 9.075 -12.500 -14.610 622 HE22 GLN 73 HE22 GLN 73 9.906 -13.802 -15.372 623 H ARG 74 HN ARG 74 8.684 -7.808 -18.176 624 HA ARG 74 HA ARG 74 11.462 -7.382 -18.545 625 HB2 ARG 74 HB2 ARG 74 11.631 -6.424 -20.810 626 HB3 ARG 74 HB1 ARG 74 11.083 -8.093 -20.900 627 HG2 ARG 74 HG2 ARG 74 8.780 -7.354 -21.300 628 HG3 ARG 74 HG1 ARG 74 9.259 -5.665 -21.132 629 HD2 ARG 74 HD2 ARG 74 10.577 -5.769 -23.149 630 HD3 ARG 74 HD1 ARG 74 10.392 -7.525 -23.243 631 HE ARG 74 HE ARG 74 7.920 -6.004 -23.363 632 HH11 ARG 74 HH11 ARG 74 10.433 -7.565 -25.236 633 HH12 ARG 74 HH12 ARG 74 9.469 -7.661 -26.673 634 HH21 ARG 74 HH21 ARG 74 6.676 -6.128 -25.272 635 HH22 ARG 74 HH22 ARG 74 7.357 -6.833 -26.698 636 H ALA 75 HN ALA 75 11.811 -4.929 -19.449 637 HA ALA 75 HA ALA 75 9.646 -3.148 -18.526 638 HB1 ALA 75 HB1 ALA 75 11.413 -1.467 -18.060 639 HB2 ALA 75 HB2 ALA 75 12.657 -2.635 -18.517 640 HB3 ALA 75 HB3 ALA 75 11.660 -2.919 -17.089 641 H ILE 76 HN ILE 76 9.106 -1.515 -20.315 642 HA ILE 76 HA ILE 76 9.372 -3.022 -22.771 643 HB ILE 76 HB ILE 76 7.509 -0.741 -21.920 644 HG12 ILE 76 HG12 ILE 76 7.093 -2.756 -20.506 645 HG13 ILE 76 HG11 ILE 76 5.729 -2.406 -21.557 646 HG21 ILE 76 HG21 ILE 76 7.333 -2.578 -24.320 647 HG22 ILE 76 HG22 ILE 76 7.718 -0.856 -24.332 648 HG23 ILE 76 HG23 ILE 76 6.113 -1.395 -23.845 649 HD11 ILE 76 HD11 ILE 76 7.790 -4.555 -22.031 650 HD12 ILE 76 HD12 ILE 76 6.376 -4.227 -23.035 651 HD13 ILE 76 HD13 ILE 76 6.171 -4.790 -21.377 652 H THR 77 HN THR 77 10.634 -2.147 -24.399 653 HA THR 77 HA THR 77 11.979 0.336 -24.313 654 HB THR 77 HB THR 77 12.545 -0.139 -26.720 655 HG1 THR 77 HG1 THR 77 11.709 -1.991 -27.686 656 HG21 THR 77 HG21 THR 77 12.825 -2.553 -24.890 657 HG22 THR 77 HG22 THR 77 13.916 -1.166 -24.935 658 HG23 THR 77 HG23 THR 77 13.787 -2.232 -26.334 659 H LYS 78 HN LYS 78 11.628 2.274 -25.456 660 HA LYS 78 HA LYS 78 9.171 3.424 -25.861 661 HB2 LYS 78 HB2 LYS 78 11.698 4.040 -27.427 662 HB3 LYS 78 HB1 LYS 78 10.304 5.110 -27.303 663 HG2 LYS 78 HG2 LYS 78 10.671 5.361 -24.896 664 HG3 LYS 78 HG1 LYS 78 12.014 4.223 -24.961 665 HD2 LYS 78 HD2 LYS 78 11.945 6.923 -26.379 666 HD3 LYS 78 HD1 LYS 78 12.749 6.607 -24.844 667 HE2 LYS 78 HE2 LYS 78 14.490 6.538 -26.435 668 HE3 LYS 78 HE1 LYS 78 14.138 4.841 -26.128 669 HZ1 LYS 78 HZ1 LYS 78 12.848 4.792 -28.182 670 HZ2 LYS 78 HZ2 LYS 78 14.435 5.284 -28.474 671 HZ3 LYS 78 HZ3 LYS 78 13.191 6.423 -28.456 672 H LYS 79 HN LYS 79 10.717 1.295 -27.877 673 HA LYS 79 HA LYS 79 9.295 1.688 -30.360 674 HB2 LYS 79 HB2 LYS 79 10.975 -0.643 -29.426 675 HB3 LYS 79 HB1 LYS 79 10.065 -0.718 -30.938 676 HG2 LYS 79 HG2 LYS 79 11.240 1.505 -31.547 677 HG3 LYS 79 HG1 LYS 79 12.342 1.142 -30.214 678 HD2 LYS 79 HD2 LYS 79 13.017 -0.942 -31.294 679 HD3 LYS 79 HD1 LYS 79 11.805 -0.711 -32.559 680 HE2 LYS 79 HE2 LYS 79 12.978 1.352 -33.288 681 HE3 LYS 79 HE1 LYS 79 14.216 1.075 -32.059 682 HZ1 LYS 79 HZ1 LYS 79 13.607 -0.683 -34.374 683 HZ2 LYS 79 HZ2 LYS 79 14.733 -1.043 -33.168 684 HZ3 LYS 79 HZ3 LYS 79 14.978 0.290 -34.181 685 H GLU 80 HN GLU 80 8.730 -0.545 -27.605 686 HA GLU 80 HA GLU 80 6.245 -1.512 -28.845 687 HB2 GLU 80 HB2 GLU 80 7.618 -2.314 -26.248 688 HB3 GLU 80 HB1 GLU 80 6.157 -3.062 -26.895 689 HG2 GLU 80 HG2 GLU 80 8.817 -3.072 -28.364 690 HG3 GLU 80 HG1 GLU 80 8.353 -4.320 -27.211 691 H GLN 81 HN GLN 81 7.362 0.966 -27.078 692 HA GLN 81 HA GLN 81 5.076 1.441 -25.281 693 HB2 GLN 81 HB2 GLN 81 7.443 3.234 -25.870 694 HB3 GLN 81 HB1 GLN 81 6.059 3.795 -24.946 695 HG2 GLN 81 HG2 GLN 81 6.482 2.026 -23.261 696 HG3 GLN 81 HG1 GLN 81 7.906 1.513 -24.170 697 HE21 GLN 81 HE21 GLN 81 9.300 1.981 -22.456 698 HE22 GLN 81 HE22 GLN 81 9.689 3.585 -21.951 699 H ALA 82 HN ALA 82 6.307 2.638 -28.470 700 HA ALA 82 HA ALA 82 4.182 4.449 -28.913 701 HB1 ALA 82 HB1 ALA 82 6.069 3.016 -30.836 702 HB2 ALA 82 HB2 ALA 82 6.345 4.589 -30.091 703 HB3 ALA 82 HB3 ALA 82 5.031 4.389 -31.251 704 H ASP 83 HN ASP 83 4.716 1.027 -29.348 705 HA ASP 83 HA ASP 83 2.177 0.638 -30.783 706 HB2 ASP 83 HB2 ASP 83 4.602 -1.163 -30.378 707 HB3 ASP 83 HB1 ASP 83 3.101 -1.731 -31.116 708 H MET 84 HN MET 84 2.063 1.329 -27.968 709 HA MET 84 HA MET 84 1.878 -0.846 -26.227 710 HB2 MET 84 HB2 MET 84 0.811 1.949 -26.185 711 HB3 MET 84 HB1 MET 84 0.033 0.815 -25.088 712 HG2 MET 84 HG2 MET 84 2.978 1.480 -25.172 713 HG3 MET 84 HG1 MET 84 1.811 1.967 -23.934 714 HE1 MET 84 HE1 MET 84 4.264 -0.826 -22.374 715 HE2 MET 84 HE2 MET 84 3.869 0.893 -22.340 716 HE3 MET 84 HE3 MET 84 4.695 0.200 -23.740 717 H GLY 85 HN GLY 85 -0.295 0.176 -28.651 718 HA2 GLY 85 HA2 GLY 85 -2.703 -1.006 -27.467 719 HA3 GLY 85 HA1 GLY 85 -2.583 -0.235 -29.045 720 H LYS 86 HN LYS 86 -0.130 -1.975 -29.787 721 HA LYS 86 HA LYS 86 -1.645 -4.306 -30.684 722 HB2 LYS 86 HB2 LYS 86 -0.728 -2.893 -32.473 723 HB3 LYS 86 HB1 LYS 86 0.839 -2.836 -31.700 724 HG2 LYS 86 HG2 LYS 86 -0.235 -5.485 -32.614 725 HG3 LYS 86 HG1 LYS 86 0.387 -4.367 -33.824 726 HD2 LYS 86 HD2 LYS 86 1.925 -5.466 -31.439 727 HD3 LYS 86 HD1 LYS 86 2.094 -6.017 -33.107 728 HE2 LYS 86 HE2 LYS 86 2.722 -3.212 -32.117 729 HE3 LYS 86 HE1 LYS 86 3.921 -4.471 -32.402 730 HZ1 LYS 86 HZ1 LYS 86 3.807 -2.962 -34.237 731 HZ2 LYS 86 HZ2 LYS 86 2.155 -3.238 -34.435 732 HZ3 LYS 86 HZ3 LYS 86 3.260 -4.479 -34.734 733 H LEU 87 HN LEU 87 0.197 -3.238 -28.341 734 HA LEU 87 HA LEU 87 2.397 -5.221 -28.261 735 HB2 LEU 87 HB2 LEU 87 3.326 -3.095 -27.552 736 HB3 LEU 87 HB1 LEU 87 1.990 -2.809 -26.448 737 HG LEU 87 HG LEU 87 2.764 -4.769 -25.065 738 HD11 LEU 87 HD11 LEU 87 5.025 -5.679 -25.368 739 HD12 LEU 87 HD12 LEU 87 5.197 -4.763 -26.868 740 HD13 LEU 87 HD13 LEU 87 3.986 -6.040 -26.745 741 HD21 LEU 87 HD21 LEU 87 4.639 -3.628 -24.004 742 HD22 LEU 87 HD22 LEU 87 3.348 -2.502 -24.415 743 HD23 LEU 87 HD23 LEU 87 4.805 -2.570 -25.408 744 H LYS 88 HN LYS 88 -0.692 -4.198 -26.663 745 HA LYS 88 HA LYS 88 -0.045 -5.762 -24.276 746 HB2 LYS 88 HB2 LYS 88 -1.990 -3.537 -25.017 747 HB3 LYS 88 HB1 LYS 88 -2.271 -4.512 -23.577 748 HG2 LYS 88 HG2 LYS 88 -0.082 -3.791 -22.657 749 HG3 LYS 88 HG1 LYS 88 0.206 -2.832 -24.114 750 HD2 LYS 88 HD2 LYS 88 -1.819 -1.479 -23.597 751 HD3 LYS 88 HD1 LYS 88 -2.052 -2.413 -22.117 752 HE2 LYS 88 HE2 LYS 88 0.120 -1.580 -21.271 753 HE3 LYS 88 HE1 LYS 88 0.340 -0.656 -22.755 754 HZ1 LYS 88 HZ1 LYS 88 -0.483 0.740 -21.016 755 HZ2 LYS 88 HZ2 LYS 88 -1.810 -0.266 -20.756 756 HZ3 LYS 88 HZ3 LYS 88 -1.666 0.586 -22.204 757 H LYS 89 HN LYS 89 -1.789 -5.802 -27.218 758 HA LYS 89 HA LYS 89 -4.052 -7.389 -26.226 759 HB2 LYS 89 HB2 LYS 89 -5.065 -7.116 -28.452 760 HB3 LYS 89 HB1 LYS 89 -4.627 -5.574 -27.752 761 HG2 LYS 89 HG2 LYS 89 -3.963 -5.212 -29.919 762 HG3 LYS 89 HG1 LYS 89 -2.456 -5.837 -29.255 763 HD2 LYS 89 HD2 LYS 89 -2.962 -8.067 -30.202 764 HD3 LYS 89 HD1 LYS 89 -4.497 -7.462 -30.833 765 HE2 LYS 89 HE2 LYS 89 -3.250 -5.855 -32.264 766 HE3 LYS 89 HE1 LYS 89 -1.729 -6.490 -31.633 767 HZ1 LYS 89 HZ1 LYS 89 -2.230 -8.611 -32.604 768 HZ2 LYS 89 HZ2 LYS 89 -2.294 -7.412 -33.789 769 HZ3 LYS 89 HZ3 LYS 89 -3.727 -8.059 -33.163 770 H SER 90 HN SER 90 -1.222 -7.700 -28.350 771 HA SER 90 HA SER 90 -1.693 -10.290 -29.352 772 HB2 SER 90 HB2 SER 90 0.943 -8.833 -28.863 773 HB3 SER 90 HB1 SER 90 0.732 -10.250 -29.894 774 HG SER 90 HG SER 90 0.516 -7.798 -30.666 775 H VAL 91 HN VAL 91 0.281 -9.169 -26.593 776 HA VAL 91 HA VAL 91 1.018 -11.598 -25.418 777 HB VAL 91 HB VAL 91 0.167 -9.241 -23.682 778 HG11 VAL 91 HG11 VAL 91 2.060 -9.925 -22.263 779 HG12 VAL 91 HG12 VAL 91 2.479 -11.206 -23.405 780 HG13 VAL 91 HG13 VAL 91 0.953 -11.277 -22.521 781 HG21 VAL 91 HG21 VAL 91 2.402 -8.219 -24.026 782 HG22 VAL 91 HG22 VAL 91 1.410 -8.215 -25.476 783 HG23 VAL 91 HG23 VAL 91 2.713 -9.378 -25.320 784 H ARG 92 HN ARG 92 -2.119 -10.183 -25.665 785 HA ARG 92 HA ARG 92 -4.213 -10.918 -25.255 786 HB2 ARG 92 HB2 ARG 92 -3.422 -13.193 -25.742 787 HB3 ARG 92 HB1 ARG 92 -2.794 -13.358 -24.112 788 HG2 ARG 92 HG2 ARG 92 -5.262 -13.112 -23.345 789 HG3 ARG 92 HG1 ARG 92 -5.676 -13.409 -25.039 790 HD2 ARG 92 HD2 ARG 92 -5.689 -15.469 -23.585 791 HD3 ARG 92 HD1 ARG 92 -4.609 -15.583 -24.982 792 HE ARG 92 HE ARG 92 -2.824 -14.814 -23.250 793 HH11 ARG 92 HH11 ARG 92 -5.464 -17.010 -22.503 794 HH12 ARG 92 HH12 ARG 92 -4.568 -17.838 -21.271 795 HH21 ARG 92 HH21 ARG 92 -1.688 -15.890 -21.645 796 HH22 ARG 92 HH22 ARG 92 -2.437 -17.181 -20.767 797 H GLY 93 HN GLY 93 -3.359 -8.989 -23.907 798 HA2 GLY 93 HA2 GLY 93 -3.833 -7.737 -22.030 799 HA3 GLY 93 HA1 GLY 93 -4.432 -9.181 -21.222 800 H LEU 94 HN LEU 94 -1.408 -7.433 -22.161 801 HA LEU 94 HA LEU 94 0.301 -8.791 -20.345 802 HB2 LEU 94 HB2 LEU 94 1.107 -7.776 -22.370 803 HB3 LEU 94 HB1 LEU 94 0.312 -6.253 -22.038 804 HG LEU 94 HG LEU 94 2.015 -5.840 -20.228 805 HD11 LEU 94 HD11 LEU 94 3.383 -8.303 -21.336 806 HD12 LEU 94 HD12 LEU 94 2.625 -8.158 -19.746 807 HD13 LEU 94 HD13 LEU 94 4.036 -7.179 -20.135 808 HD21 LEU 94 HD21 LEU 94 3.864 -5.294 -21.772 809 HD22 LEU 94 HD22 LEU 94 2.303 -4.864 -22.462 810 HD23 LEU 94 HD23 LEU 94 3.136 -6.318 -23.016 811 H VAL 95 HN VAL 95 1.416 -7.287 -18.684 812 HA VAL 95 HA VAL 95 -0.478 -5.634 -17.114 813 HB VAL 95 HB VAL 95 1.599 -7.507 -15.845 814 HG11 VAL 95 HG11 VAL 95 -0.497 -5.715 -14.549 815 HG12 VAL 95 HG12 VAL 95 1.248 -5.451 -14.546 816 HG13 VAL 95 HG13 VAL 95 0.566 -6.833 -13.689 817 HG21 VAL 95 HG21 VAL 95 -0.307 -8.832 -14.976 818 HG22 VAL 95 HG22 VAL 95 -0.299 -8.824 -16.738 819 HG23 VAL 95 HG23 VAL 95 -1.439 -7.803 -15.861 820 H VAL 96 HN VAL 96 0.487 -3.637 -16.664 821 HA VAL 96 HA VAL 96 3.306 -3.188 -17.395 822 HB VAL 96 HB VAL 96 1.032 -1.519 -18.608 823 HG11 VAL 96 HG11 VAL 96 2.813 -0.349 -19.887 824 HG12 VAL 96 HG12 VAL 96 4.046 -1.284 -19.037 825 HG13 VAL 96 HG13 VAL 96 3.033 -0.145 -18.147 826 HG21 VAL 96 HG21 VAL 96 2.926 -3.448 -20.010 827 HG22 VAL 96 HG22 VAL 96 1.746 -2.401 -20.809 828 HG23 VAL 96 HG23 VAL 96 1.199 -3.697 -19.743 829 H VAL 97 HN VAL 97 4.241 -1.663 -16.024 830 HA VAL 97 HA VAL 97 2.516 -0.171 -14.141 831 HB VAL 97 HB VAL 97 5.030 -1.709 -13.294 832 HG11 VAL 97 HG11 VAL 97 4.628 0.291 -11.928 833 HG12 VAL 97 HG12 VAL 97 4.328 -1.163 -10.978 834 HG13 VAL 97 HG13 VAL 97 2.969 -0.227 -11.607 835 HG21 VAL 97 HG21 VAL 97 3.520 -3.266 -12.054 836 HG22 VAL 97 HG22 VAL 97 3.269 -3.355 -13.795 837 HG23 VAL 97 HG23 VAL 97 2.118 -2.478 -12.784 838 H HIS 98 HN HIS 98 3.220 1.939 -13.916 839 HA HIS 98 HA HIS 98 5.335 2.851 -15.731 840 HB2 HIS 98 HB2 HIS 98 3.040 3.859 -15.750 841 HB3 HIS 98 HB1 HIS 98 3.258 4.379 -14.087 842 HD2 HIS 98 HD2 HIS 98 4.420 5.334 -17.690 843 HE1 HIS 98 HE1 HIS 98 5.488 8.432 -15.030 844 HE2 HIS 98 HE2 HIS 98 5.610 7.619 -17.417 845 HA PRO 99 HA PRO 99 8.299 3.333 -12.381 846 HB2 PRO 99 HB2 PRO 99 9.992 5.253 -13.368 847 HB3 PRO 99 HB1 PRO 99 9.930 3.601 -13.997 848 HG2 PRO 99 HG2 PRO 99 8.592 6.083 -15.070 849 HG3 PRO 99 HG1 PRO 99 9.521 4.846 -15.949 850 HD2 PRO 99 HD2 PRO 99 6.820 4.834 -15.921 851 HD3 PRO 99 HD1 PRO 99 7.750 3.324 -15.928 852 H MET 100 HN MET 100 6.984 6.475 -13.577 853 HA MET 100 HA MET 100 7.898 7.862 -11.201 854 HB2 MET 100 HB2 MET 100 6.118 8.963 -13.407 855 HB3 MET 100 HB1 MET 100 6.932 9.897 -12.151 856 HG2 MET 100 HG2 MET 100 9.121 9.040 -13.090 857 HG3 MET 100 HG1 MET 100 8.204 8.402 -14.454 858 HE1 MET 100 HE1 MET 100 5.962 10.745 -14.829 859 HE2 MET 100 HE2 MET 100 6.825 9.994 -16.172 860 HE3 MET 100 HE3 MET 100 6.775 11.754 -16.026 861 H THR 101 HN THR 101 5.029 6.169 -12.032 862 HA THR 101 HA THR 101 3.297 7.353 -10.066 863 HB THR 101 HB THR 101 1.953 5.288 -10.196 864 HG1 THR 101 HG1 THR 101 4.309 4.236 -11.229 865 HG21 THR 101 HG21 THR 101 1.458 5.238 -12.630 866 HG22 THR 101 HG22 THR 101 2.932 6.157 -12.939 867 HG23 THR 101 HG23 THR 101 1.614 6.888 -12.019 868 H ALA 102 HN ALA 102 2.814 6.533 -7.958 869 HA ALA 102 HA ALA 102 4.935 6.149 -6.249 870 HB1 ALA 102 HB1 ALA 102 3.269 5.628 -4.528 871 HB2 ALA 102 HB2 ALA 102 2.052 5.333 -5.773 872 HB3 ALA 102 HB3 ALA 102 2.715 6.953 -5.554 873 H LEU 103 HN LEU 103 3.073 3.664 -7.905 874 HA LEU 103 HA LEU 103 3.785 1.446 -6.140 875 HB2 LEU 103 HB2 LEU 103 1.652 1.436 -7.532 876 HB3 LEU 103 HB1 LEU 103 2.647 1.278 -8.972 877 HG LEU 103 HG LEU 103 3.530 -0.898 -8.119 878 HD11 LEU 103 HD11 LEU 103 1.482 -0.589 -5.887 879 HD12 LEU 103 HD12 LEU 103 3.238 -0.556 -5.698 880 HD13 LEU 103 HD13 LEU 103 2.438 -2.034 -6.223 881 HD21 LEU 103 HD21 LEU 103 0.499 -0.791 -8.343 882 HD22 LEU 103 HD22 LEU 103 1.505 -2.226 -8.564 883 HD23 LEU 103 HD23 LEU 103 1.637 -0.878 -9.691 884 H GLY 104 HN GLY 104 4.655 2.501 -9.545 885 HA2 GLY 104 HA2 GLY 104 6.913 1.021 -9.846 886 HA3 GLY 104 HA1 GLY 104 6.595 2.566 -10.605 887 H ARG 105 HN ARG 105 6.692 3.829 -7.642 888 HA ARG 105 HA ARG 105 9.519 4.437 -7.901 889 HB2 ARG 105 HB2 ARG 105 7.337 5.534 -6.057 890 HB3 ARG 105 HB1 ARG 105 9.018 6.059 -6.034 891 HG2 ARG 105 HG2 ARG 105 8.731 6.846 -8.396 892 HG3 ARG 105 HG1 ARG 105 7.021 6.452 -8.278 893 HD2 ARG 105 HD2 ARG 105 6.758 8.032 -6.412 894 HD3 ARG 105 HD1 ARG 105 8.482 8.399 -6.466 895 HE ARG 105 HE ARG 105 7.521 8.981 -8.978 896 HH11 ARG 105 HH11 ARG 105 6.821 10.111 -5.719 897 HH12 ARG 105 HH12 ARG 105 6.421 11.716 -6.238 898 HH21 ARG 105 HH21 ARG 105 6.990 11.088 -9.626 899 HH22 ARG 105 HH22 ARG 105 6.514 12.264 -8.443 900 H GLU 106 HN GLU 106 7.255 2.463 -6.085 901 HA GLU 106 HA GLU 106 8.871 2.420 -3.657 902 HB2 GLU 106 HB2 GLU 106 6.405 2.664 -3.441 903 HB3 GLU 106 HB1 GLU 106 6.167 1.160 -4.321 904 HG2 GLU 106 HG2 GLU 106 5.865 0.905 -1.876 905 HG3 GLU 106 HG1 GLU 106 7.146 -0.132 -2.503 906 H MET 107 HN MET 107 7.945 0.374 -6.481 907 HA MET 107 HA MET 107 8.970 -2.077 -5.266 908 HB2 MET 107 HB2 MET 107 7.744 -1.449 -7.992 909 HB3 MET 107 HB1 MET 107 8.457 -3.010 -7.608 910 HG2 MET 107 HG2 MET 107 6.780 -3.395 -5.877 911 HG3 MET 107 HG1 MET 107 6.096 -1.793 -6.140 912 HE1 MET 107 HE1 MET 107 7.337 -4.360 -8.947 913 HE2 MET 107 HE2 MET 107 5.829 -5.217 -9.264 914 HE3 MET 107 HE3 MET 107 6.630 -5.393 -7.703 915 H GLY 108 HN GLY 108 10.032 0.712 -6.945 916 HA2 GLY 108 HA2 GLY 108 12.350 1.239 -6.801 917 HA3 GLY 108 HA1 GLY 108 12.756 -0.430 -7.161 918 H LEU 109 HN LEU 109 10.289 0.406 -9.212 919 HA LEU 109 HA LEU 109 11.875 0.004 -11.511 920 HB2 LEU 109 HB2 LEU 109 9.068 1.156 -11.468 921 HB3 LEU 109 HB1 LEU 109 9.814 0.203 -12.744 922 HG LEU 109 HG LEU 109 9.011 -0.847 -9.990 923 HD11 LEU 109 HD11 LEU 109 7.702 -1.314 -12.688 924 HD12 LEU 109 HD12 LEU 109 7.040 -0.366 -11.355 925 HD13 LEU 109 HD13 LEU 109 7.254 -2.104 -11.174 926 HD21 LEU 109 HD21 LEU 109 10.103 -2.393 -12.376 927 HD22 LEU 109 HD22 LEU 109 9.540 -3.092 -10.855 928 HD23 LEU 109 HD23 LEU 109 10.970 -2.066 -10.871 929 H GLU 110 HN GLU 110 13.153 1.441 -12.497 930 HA GLU 110 HA GLU 110 12.609 4.349 -12.483 931 HB2 GLU 110 HB2 GLU 110 14.936 4.568 -13.326 932 HB3 GLU 110 HB1 GLU 110 14.863 3.706 -11.792 933 HG2 GLU 110 HG2 GLU 110 15.117 1.550 -12.973 934 HG3 GLU 110 HG1 GLU 110 15.157 2.400 -14.517 935 H GLU 111 HN GLU 111 11.788 1.774 -14.296 936 HA GLU 111 HA GLU 111 11.525 3.342 -16.785 937 HB2 GLU 111 HB2 GLU 111 13.556 1.926 -17.027 938 HB3 GLU 111 HB1 GLU 111 12.626 0.495 -16.602 939 HG2 GLU 111 HG2 GLU 111 13.089 0.677 -19.033 940 HG3 GLU 111 HG1 GLU 111 11.366 0.617 -18.658 941 H MET 112 HN MET 112 9.750 2.609 -18.155 942 HA MET 112 HA MET 112 7.466 1.633 -16.811 943 HB2 MET 112 HB2 MET 112 7.075 2.999 -18.752 944 HB3 MET 112 HB1 MET 112 8.093 1.971 -19.756 945 HG2 MET 112 HG2 MET 112 6.459 0.328 -19.985 946 HG3 MET 112 HG1 MET 112 5.637 0.781 -18.501 947 HE1 MET 112 HE1 MET 112 3.351 3.661 -19.479 948 HE2 MET 112 HE2 MET 112 4.840 3.676 -18.535 949 HE3 MET 112 HE3 MET 112 3.677 2.363 -18.329 950 H THR 113 HN THR 113 6.963 -0.266 -16.412 951 HA THR 113 HA THR 113 8.625 -2.550 -17.314 952 HB THR 113 HB THR 113 7.001 -2.440 -14.733 953 HG1 THR 113 HG1 THR 113 8.721 -0.791 -14.952 954 HG21 THR 113 HG21 THR 113 7.664 -4.717 -15.423 955 HG22 THR 113 HG22 THR 113 8.579 -4.207 -14.002 956 HG23 THR 113 HG23 THR 113 9.339 -4.188 -15.594 957 H GLY 114 HN GLY 114 7.597 -4.413 -18.282 958 HA2 GLY 114 HA2 GLY 114 4.735 -4.765 -17.671 959 HA3 GLY 114 HA1 GLY 114 5.516 -5.251 -19.166 960 H PHE 115 HN PHE 115 4.032 -7.162 -18.007 961 HA PHE 115 HA PHE 115 5.782 -9.191 -17.024 962 HB2 PHE 115 HB2 PHE 115 3.489 -8.243 -15.214 963 HB3 PHE 115 HB1 PHE 115 4.535 -9.621 -14.931 964 HD1 PHE 115 HD1 PHE 115 6.963 -9.195 -14.293 965 HD2 PHE 115 HD2 PHE 115 4.039 -6.078 -14.441 966 HE1 PHE 115 HE1 PHE 115 8.353 -7.815 -12.814 967 HE2 PHE 115 HE2 PHE 115 5.437 -4.704 -12.949 968 HZ PHE 115 HZ PHE 115 7.596 -5.572 -12.130 969 H SER 116 HN SER 116 4.716 -11.065 -18.176 970 HA SER 116 HA SER 116 1.909 -11.367 -17.396 971 HB2 SER 116 HB2 SER 116 2.140 -10.403 -19.725 972 HB3 SER 116 HB1 SER 116 3.009 -11.859 -20.199 973 HG SER 116 HG SER 116 0.373 -11.451 -20.092 974 H LYS 117 HN LYS 117 1.087 -13.525 -18.014 975 HA LYS 117 HA LYS 117 2.845 -15.769 -17.390 976 HB2 LYS 117 HB2 LYS 117 -0.151 -15.467 -17.818 977 HB3 LYS 117 HB1 LYS 117 0.612 -17.033 -17.587 978 HG2 LYS 117 HG2 LYS 117 0.781 -14.771 -15.565 979 HG3 LYS 117 HG1 LYS 117 -0.459 -16.021 -15.517 980 HD2 LYS 117 HD2 LYS 117 2.543 -16.451 -15.276 981 HD3 LYS 117 HD1 LYS 117 1.375 -16.550 -13.960 982 HE2 LYS 117 HE2 LYS 117 0.309 -18.495 -15.055 983 HE3 LYS 117 HE1 LYS 117 1.465 -18.388 -16.385 984 HZ1 LYS 117 HZ1 LYS 117 3.246 -18.871 -14.851 985 HZ2 LYS 117 HZ2 LYS 117 2.068 -20.074 -14.755 986 HZ3 LYS 117 HZ3 LYS 117 2.166 -18.903 -13.546 987 H THR 118 HN THR 118 2.125 -14.031 -20.096 988 HA THR 118 HA THR 118 2.269 -16.329 -21.944 989 HB THR 118 HB THR 118 0.913 -13.841 -22.953 990 HG1 THR 118 HG1 THR 118 -0.191 -13.806 -21.068 991 HG21 THR 118 HG21 THR 118 1.047 -15.910 -24.313 992 HG22 THR 118 HG22 THR 118 -0.630 -15.484 -23.960 993 HG23 THR 118 HG23 THR 118 0.159 -16.786 -23.064 994 H THR 119 HN THR 119 3.398 -15.912 -23.902 995 HA THR 119 HA THR 119 5.836 -14.524 -23.512 996 HB THR 119 HB THR 119 5.750 -16.615 -24.791 997 HG1 THR 119 HG1 THR 119 6.819 -15.678 -26.815 998 HG21 THR 119 HG21 THR 119 4.228 -15.088 -26.938 999 HG22 THR 119 HG22 THR 119 3.550 -16.346 -25.904 1000 HG23 THR 119 HG23 THR 119 4.817 -16.748 -27.065 1001 H PHE 120 HN PHE 120 6.734 -12.772 -24.606 1002 HA PHE 120 HA PHE 120 5.481 -11.321 -26.707 1003 HB2 PHE 120 HB2 PHE 120 5.110 -9.177 -25.562 1004 HB3 PHE 120 HB1 PHE 120 4.081 -10.440 -24.920 1005 HD1 PHE 120 HD2 PHE 120 5.074 -11.660 -22.723 1006 HD2 PHE 120 HD1 PHE 120 6.108 -7.721 -24.029 1007 HE1 PHE 120 HE2 PHE 120 5.756 -11.075 -20.441 1008 HE2 PHE 120 HE1 PHE 120 6.780 -7.152 -21.741 1009 HZ PHE 120 HZ PHE 120 6.610 -8.819 -19.944 Start of MODEL 2 1 H MET 1 HT1 MET 1 -14.350 -7.289 -4.875 2 HA MET 1 HA MET 1 -14.773 -7.115 -2.500 3 HB2 MET 1 HB2 MET 1 -12.552 -7.857 -1.718 4 HB3 MET 1 HB1 MET 1 -11.805 -6.429 -2.413 5 HG2 MET 1 HG2 MET 1 -13.136 -5.034 -0.813 6 HG3 MET 1 HG1 MET 1 -13.704 -6.526 -0.063 7 HE1 MET 1 HE1 MET 1 -10.514 -4.333 -0.900 8 HE2 MET 1 HE2 MET 1 -10.039 -5.917 -1.518 9 HE3 MET 1 HE3 MET 1 -9.246 -5.249 -0.090 10 H LYS 2 HN LYS 2 -16.056 -5.353 -2.629 11 HA LYS 2 HA LYS 2 -15.095 -2.802 -3.721 12 HB2 LYS 2 HB2 LYS 2 -17.857 -3.628 -2.727 13 HB3 LYS 2 HB1 LYS 2 -17.469 -2.072 -3.460 14 HG2 LYS 2 HG2 LYS 2 -17.340 -4.792 -4.813 15 HG3 LYS 2 HG1 LYS 2 -18.546 -3.531 -5.093 16 HD2 LYS 2 HD2 LYS 2 -16.776 -2.039 -5.985 17 HD3 LYS 2 HD1 LYS 2 -15.566 -3.292 -5.696 18 HE2 LYS 2 HE2 LYS 2 -16.779 -4.770 -7.312 19 HE3 LYS 2 HE1 LYS 2 -17.896 -3.443 -7.639 20 HZ1 LYS 2 HZ1 LYS 2 -16.042 -2.126 -8.436 21 HZ2 LYS 2 HZ2 LYS 2 -16.151 -3.578 -9.293 22 HZ3 LYS 2 HZ3 LYS 2 -14.966 -3.388 -8.106 23 H GLU 3 HN GLU 3 -15.611 -4.376 -0.705 24 HA GLU 3 HA GLU 3 -15.910 -2.258 1.098 25 HB2 GLU 3 HB2 GLU 3 -16.171 -4.674 1.668 26 HB3 GLU 3 HB1 GLU 3 -14.438 -4.908 1.470 27 HG2 GLU 3 HG2 GLU 3 -14.064 -3.297 3.358 28 HG3 GLU 3 HG1 GLU 3 -15.811 -3.225 3.586 29 H VAL 4 HN VAL 4 -14.460 -0.842 2.035 30 HA VAL 4 HA VAL 4 -12.003 -0.434 0.526 31 HB VAL 4 HB VAL 4 -13.269 1.413 2.591 32 HG11 VAL 4 HG11 VAL 4 -11.236 1.979 0.401 33 HG12 VAL 4 HG12 VAL 4 -10.924 1.958 2.137 34 HG13 VAL 4 HG13 VAL 4 -11.979 3.190 1.449 35 HG21 VAL 4 HG21 VAL 4 -14.298 2.608 0.683 36 HG22 VAL 4 HG22 VAL 4 -14.884 0.948 0.781 37 HG23 VAL 4 HG23 VAL 4 -13.676 1.384 -0.429 38 H GLU 5 HN GLU 5 -11.058 -2.289 1.544 39 HA GLU 5 HA GLU 5 -9.795 -2.601 3.967 40 HB2 GLU 5 HB2 GLU 5 -9.405 -3.976 1.868 41 HB3 GLU 5 HB1 GLU 5 -8.319 -2.722 1.293 42 HG2 GLU 5 HG2 GLU 5 -6.978 -4.502 2.161 43 HG3 GLU 5 HG1 GLU 5 -6.864 -3.154 3.292 44 H LYS 6 HN LYS 6 -8.880 -0.297 1.447 45 HA LYS 6 HA LYS 6 -6.739 1.081 2.523 46 HB2 LYS 6 HB2 LYS 6 -9.124 2.319 1.083 47 HB3 LYS 6 HB1 LYS 6 -7.684 3.227 1.504 48 HG2 LYS 6 HG2 LYS 6 -7.486 2.677 -0.791 49 HG3 LYS 6 HG1 LYS 6 -6.346 1.642 0.070 50 HD2 LYS 6 HD2 LYS 6 -7.878 -0.256 -0.132 51 HD3 LYS 6 HD1 LYS 6 -9.101 0.773 -0.881 52 HE2 LYS 6 HE2 LYS 6 -7.686 1.102 -2.845 53 HE3 LYS 6 HE1 LYS 6 -6.362 0.209 -2.084 54 HZ1 LYS 6 HZ1 LYS 6 -9.019 -0.912 -2.787 55 HZ2 LYS 6 HZ2 LYS 6 -7.748 -1.758 -2.062 56 HZ3 LYS 6 HZ3 LYS 6 -7.579 -1.171 -3.638 57 H ASN 7 HN ASN 7 -10.134 1.310 3.670 58 HA ASN 7 HA ASN 7 -9.787 3.495 5.457 59 HB2 ASN 7 HB2 ASN 7 -11.776 1.196 5.456 60 HB3 ASN 7 HB1 ASN 7 -11.790 2.429 6.708 61 HD21 ASN 7 HD21 ASN 7 -13.856 1.752 4.749 62 HD22 ASN 7 HD22 ASN 7 -14.171 3.200 3.855 63 H GLU 8 HN GLU 8 -9.348 0.003 5.885 64 HA GLU 8 HA GLU 8 -8.852 -0.134 8.645 65 HB2 GLU 8 HB2 GLU 8 -7.463 -1.860 6.554 66 HB3 GLU 8 HB1 GLU 8 -7.789 -2.288 8.232 67 HG2 GLU 8 HG2 GLU 8 -9.778 -1.995 5.972 68 HG3 GLU 8 HG1 GLU 8 -9.270 -3.482 6.771 69 H ILE 9 HN ILE 9 -6.432 0.134 5.953 70 HA ILE 9 HA ILE 9 -4.176 0.488 7.541 71 HB ILE 9 HB ILE 9 -4.701 1.564 4.731 72 HG12 ILE 9 HG12 ILE 9 -4.925 -0.928 4.940 73 HG13 ILE 9 HG11 ILE 9 -3.569 -0.474 3.920 74 HG21 ILE 9 HG21 ILE 9 -2.224 1.648 4.467 75 HG22 ILE 9 HG22 ILE 9 -2.036 1.242 6.174 76 HG23 ILE 9 HG23 ILE 9 -2.799 2.761 5.707 77 HD11 ILE 9 HD11 ILE 9 -3.037 -2.369 5.373 78 HD12 ILE 9 HD12 ILE 9 -3.370 -1.390 6.799 79 HD13 ILE 9 HD13 ILE 9 -2.008 -0.984 5.749 80 H LYS 10 HN LYS 10 -6.450 2.919 6.262 81 HA LYS 10 HA LYS 10 -5.246 5.293 7.160 82 HB2 LYS 10 HB2 LYS 10 -7.178 5.261 5.630 83 HB3 LYS 10 HB1 LYS 10 -8.195 4.576 6.890 84 HG2 LYS 10 HG2 LYS 10 -7.723 6.761 8.209 85 HG3 LYS 10 HG1 LYS 10 -7.092 7.393 6.689 86 HD2 LYS 10 HD2 LYS 10 -9.435 8.072 6.977 87 HD3 LYS 10 HD1 LYS 10 -9.288 6.972 5.604 88 HE2 LYS 10 HE2 LYS 10 -10.113 5.110 6.997 89 HE3 LYS 10 HE1 LYS 10 -10.216 6.184 8.392 90 HZ1 LYS 10 HZ1 LYS 10 -11.770 6.447 5.881 91 HZ2 LYS 10 HZ2 LYS 10 -11.881 7.472 7.222 92 HZ3 LYS 10 HZ3 LYS 10 -12.356 5.853 7.352 93 H ARG 11 HN ARG 11 -7.526 3.178 8.720 94 HA ARG 11 HA ARG 11 -7.956 4.398 11.167 95 HB2 ARG 11 HB2 ARG 11 -9.266 2.480 10.425 96 HB3 ARG 11 HB1 ARG 11 -7.868 1.425 10.578 97 HG2 ARG 11 HG2 ARG 11 -7.885 1.636 12.991 98 HG3 ARG 11 HG1 ARG 11 -9.159 2.861 12.913 99 HD2 ARG 11 HD2 ARG 11 -9.469 -0.017 11.988 100 HD3 ARG 11 HD1 ARG 11 -10.006 0.602 13.546 101 HE ARG 11 HE ARG 11 -11.494 2.135 12.274 102 HH11 ARG 11 HH11 ARG 11 -10.454 -0.837 10.760 103 HH12 ARG 11 HH12 ARG 11 -11.818 -0.914 9.693 104 HH21 ARG 11 HH21 ARG 11 -13.276 2.023 10.885 105 HH22 ARG 11 HH22 ARG 11 -13.430 0.691 9.785 106 H LEU 12 HN LEU 12 -5.503 1.761 10.661 107 HA LEU 12 HA LEU 12 -4.328 2.051 13.227 108 HB2 LEU 12 HB2 LEU 12 -2.442 0.673 12.360 109 HB3 LEU 12 HB1 LEU 12 -4.031 -0.011 12.071 110 HG LEU 12 HG LEU 12 -3.637 1.251 9.675 111 HD11 LEU 12 HD11 LEU 12 -1.354 0.909 8.867 112 HD12 LEU 12 HD12 LEU 12 -0.841 0.413 10.481 113 HD13 LEU 12 HD13 LEU 12 -1.396 2.065 10.198 114 HD21 LEU 12 HD21 LEU 12 -4.333 -1.073 9.903 115 HD22 LEU 12 HD22 LEU 12 -2.682 -1.555 10.321 116 HD23 LEU 12 HD23 LEU 12 -3.040 -0.926 8.709 117 H SER 13 HN SER 13 -3.335 3.438 10.118 118 HA SER 13 HA SER 13 -1.238 5.057 10.876 119 HB2 SER 13 HB2 SER 13 -3.494 5.775 8.966 120 HB3 SER 13 HB1 SER 13 -1.935 6.605 9.047 121 HG SER 13 HG SER 13 -2.586 4.275 7.833 122 H ASP 14 HN ASP 14 -4.715 6.030 11.054 123 HA ASP 14 HA ASP 14 -4.383 8.465 12.397 124 HB2 ASP 14 HB2 ASP 14 -6.432 7.647 11.113 125 HB3 ASP 14 HB1 ASP 14 -6.837 6.659 12.504 126 H ARG 15 HN ARG 15 -4.373 5.260 13.546 127 HA ARG 15 HA ARG 15 -4.908 5.689 16.353 128 HB2 ARG 15 HB2 ARG 15 -5.008 3.418 15.299 129 HB3 ARG 15 HB1 ARG 15 -3.260 3.453 15.075 130 HG2 ARG 15 HG2 ARG 15 -3.880 2.087 17.018 131 HG3 ARG 15 HG1 ARG 15 -2.893 3.471 17.486 132 HD2 ARG 15 HD2 ARG 15 -4.952 4.674 18.199 133 HD3 ARG 15 HD1 ARG 15 -5.906 3.245 17.781 134 HE ARG 15 HE ARG 15 -4.502 2.043 19.489 135 HH11 ARG 15 HH11 ARG 15 -5.079 5.485 19.773 136 HH12 ARG 15 HH12 ARG 15 -4.916 5.489 21.495 137 HH21 ARG 15 HH21 ARG 15 -4.267 2.064 21.740 138 HH22 ARG 15 HH22 ARG 15 -4.436 3.553 22.613 139 H LEU 16 HN LEU 16 -1.905 5.210 14.485 140 HA LEU 16 HA LEU 16 -0.077 5.931 16.522 141 HB2 LEU 16 HB2 LEU 16 0.376 4.650 14.344 142 HB3 LEU 16 HB1 LEU 16 0.366 6.190 13.513 143 HG LEU 16 HG LEU 16 2.658 5.190 14.018 144 HD11 LEU 16 HD11 LEU 16 2.236 7.973 15.123 145 HD12 LEU 16 HD12 LEU 16 2.470 7.543 13.427 146 HD13 LEU 16 HD13 LEU 16 3.767 7.272 14.586 147 HD21 LEU 16 HD21 LEU 16 2.217 4.329 16.266 148 HD22 LEU 16 HD22 LEU 16 2.062 5.974 16.886 149 HD23 LEU 16 HD23 LEU 16 3.610 5.408 16.258 150 H ASP 17 HN ASP 17 -1.674 7.860 13.950 151 HA ASP 17 HA ASP 17 -0.469 10.316 14.280 152 HB2 ASP 17 HB2 ASP 17 -1.910 9.786 12.394 153 HB3 ASP 17 HB1 ASP 17 -3.301 9.585 13.451 154 H ALA 18 HN ALA 18 -3.749 9.572 15.639 155 HA ALA 18 HA ALA 18 -4.077 11.310 17.603 156 HB1 ALA 18 HB1 ALA 18 -5.601 9.427 17.178 157 HB2 ALA 18 HB2 ALA 18 -5.282 9.619 18.902 158 HB3 ALA 18 HB3 ALA 18 -4.481 8.333 17.993 159 H ILE 19 HN ILE 19 -1.792 8.593 17.851 160 HA ILE 19 HA ILE 19 -1.264 9.085 20.659 161 HB ILE 19 HB ILE 19 0.027 7.184 18.671 162 HG12 ILE 19 HG12 ILE 19 -1.730 6.767 21.150 163 HG13 ILE 19 HG11 ILE 19 -2.237 6.581 19.474 164 HG21 ILE 19 HG21 ILE 19 1.349 6.201 20.540 165 HG22 ILE 19 HG22 ILE 19 0.819 7.507 21.602 166 HG23 ILE 19 HG23 ILE 19 1.834 7.862 20.205 167 HD11 ILE 19 HD11 ILE 19 -1.903 4.439 20.538 168 HD12 ILE 19 HD12 ILE 19 -0.233 4.859 20.920 169 HD13 ILE 19 HD13 ILE 19 -0.732 4.671 19.238 170 H ARG 20 HN ARG 20 0.611 9.772 17.641 171 HA ARG 20 HA ARG 20 2.779 11.004 18.860 172 HB2 ARG 20 HB2 ARG 20 3.420 11.823 16.699 173 HB3 ARG 20 HB1 ARG 20 2.684 10.244 16.449 174 HG2 ARG 20 HG2 ARG 20 0.626 11.297 15.668 175 HG3 ARG 20 HG1 ARG 20 1.280 12.896 16.005 176 HD2 ARG 20 HD2 ARG 20 3.034 12.513 14.278 177 HD3 ARG 20 HD1 ARG 20 2.314 10.939 13.927 178 HE ARG 20 HE ARG 20 0.578 11.962 12.812 179 HH11 ARG 20 HH11 ARG 20 2.377 14.500 14.489 180 HH12 ARG 20 HH12 ARG 20 1.645 15.770 13.567 181 HH21 ARG 20 HH21 ARG 20 -0.383 13.662 11.667 182 HH22 ARG 20 HH22 ARG 20 0.082 15.305 11.997 183 H HIS 21 HN HIS 21 -0.326 12.528 17.685 184 HA HIS 21 HA HIS 21 0.209 15.149 18.321 185 HB2 HIS 21 HB2 HIS 21 -1.801 14.081 17.061 186 HB3 HIS 21 HB1 HIS 21 -2.506 13.790 18.641 187 HD1 HIS 21 HD1 HIS 21 -2.803 16.107 20.138 188 HD2 HIS 21 HD2 HIS 21 -2.450 16.530 16.018 189 HE1 HIS 21 HE1 HIS 21 -3.686 18.388 19.622 190 HE2 HIS 21 HE2 HIS 21 -3.398 18.660 17.138 191 H GLN 22 HN GLN 22 -1.158 12.574 20.204 192 HA GLN 22 HA GLN 22 -1.807 13.847 22.614 193 HB2 GLN 22 HB2 GLN 22 -2.639 11.664 22.200 194 HB3 GLN 22 HB1 GLN 22 -1.034 11.013 21.903 195 HG2 GLN 22 HG2 GLN 22 -0.557 11.423 24.360 196 HG3 GLN 22 HG1 GLN 22 -2.283 11.753 24.551 197 HE21 GLN 22 HE21 GLN 22 -0.794 9.334 22.431 198 HE22 GLN 22 HE22 GLN 22 -1.457 7.961 23.228 199 H GLN 23 HN GLN 23 1.247 12.394 21.506 200 HA GLN 23 HA GLN 23 2.694 13.013 23.931 201 HB2 GLN 23 HB2 GLN 23 3.615 12.049 21.205 202 HB3 GLN 23 HB1 GLN 23 4.667 12.200 22.619 203 HG2 GLN 23 HG2 GLN 23 3.379 10.547 23.824 204 HG3 GLN 23 HG1 GLN 23 2.192 10.461 22.519 205 HE21 GLN 23 HE21 GLN 23 5.439 9.629 23.505 206 HE22 GLN 23 HE22 GLN 23 5.729 8.477 22.254 207 H ALA 24 HN ALA 24 2.113 14.709 20.863 208 HA ALA 24 HA ALA 24 3.989 16.804 21.487 209 HB1 ALA 24 HB1 ALA 24 3.316 16.365 19.167 210 HB2 ALA 24 HB2 ALA 24 2.897 18.014 19.637 211 HB3 ALA 24 HB3 ALA 24 1.642 16.772 19.556 212 H ASP 25 HN ASP 25 0.840 15.935 22.600 213 HA ASP 25 HA ASP 25 0.092 18.599 23.584 214 HB2 ASP 25 HB2 ASP 25 -1.150 15.850 24.065 215 HB3 ASP 25 HB1 ASP 25 -1.779 17.347 24.731 216 H LEU 26 HN LEU 26 1.560 15.581 24.521 217 HA LEU 26 HA LEU 26 2.260 16.624 27.184 218 HB2 LEU 26 HB2 LEU 26 2.988 13.947 25.926 219 HB3 LEU 26 HB1 LEU 26 3.294 14.436 27.587 220 HG LEU 26 HG LEU 26 0.648 13.701 26.299 221 HD11 LEU 26 HD11 LEU 26 1.985 11.877 27.224 222 HD12 LEU 26 HD12 LEU 26 0.502 12.108 28.144 223 HD13 LEU 26 HD13 LEU 26 2.038 12.686 28.794 224 HD21 LEU 26 HD21 LEU 26 -0.518 14.360 28.374 225 HD22 LEU 26 HD22 LEU 26 0.153 15.744 27.519 226 HD23 LEU 26 HD23 LEU 26 0.963 15.127 28.964 227 H SER 27 HN SER 27 4.531 16.488 27.804 228 HA SER 27 HA SER 27 6.496 16.345 25.643 229 HB2 SER 27 HB2 SER 27 5.764 18.869 26.450 230 HB3 SER 27 HB1 SER 27 7.048 18.541 27.613 231 HG SER 27 HG SER 27 7.161 18.698 24.809 232 H LEU 28 HN LEU 28 8.719 16.252 26.596 233 HA LEU 28 HA LEU 28 8.965 14.132 28.416 234 HB2 LEU 28 HB2 LEU 28 10.527 14.750 26.569 235 HB3 LEU 28 HB1 LEU 28 11.057 16.149 27.478 236 HG LEU 28 HG LEU 28 12.668 14.205 27.431 237 HD11 LEU 28 HD11 LEU 28 13.355 14.274 29.759 238 HD12 LEU 28 HD12 LEU 28 11.788 14.937 30.230 239 HD13 LEU 28 HD13 LEU 28 12.875 15.879 29.210 240 HD21 LEU 28 HD21 LEU 28 11.052 12.390 27.501 241 HD22 LEU 28 HD22 LEU 28 10.612 12.817 29.156 242 HD23 LEU 28 HD23 LEU 28 12.238 12.227 28.796 243 H VAL 29 HN VAL 29 9.558 17.630 28.831 244 HA VAL 29 HA VAL 29 10.505 17.425 31.509 245 HB VAL 29 HB VAL 29 9.454 19.872 30.023 246 HG11 VAL 29 HG11 VAL 29 11.128 19.755 32.568 247 HG12 VAL 29 HG12 VAL 29 9.447 20.274 32.451 248 HG13 VAL 29 HG13 VAL 29 10.713 21.226 31.678 249 HG21 VAL 29 HG21 VAL 29 11.377 18.824 28.888 250 HG22 VAL 29 HG22 VAL 29 12.315 18.887 30.382 251 HG23 VAL 29 HG23 VAL 29 11.833 20.384 29.578 252 H GLU 30 HN GLU 30 7.258 18.117 30.154 253 HA GLU 30 HA GLU 30 6.163 18.836 32.751 254 HB2 GLU 30 HB2 GLU 30 4.003 19.119 31.555 255 HB3 GLU 30 HB1 GLU 30 5.310 20.032 30.807 256 HG2 GLU 30 HG2 GLU 30 5.551 18.285 29.091 257 HG3 GLU 30 HG1 GLU 30 4.250 17.367 29.839 258 H ALA 31 HN ALA 31 6.134 15.936 30.687 259 HA ALA 31 HA ALA 31 4.689 14.422 32.734 260 HB1 ALA 31 HB1 ALA 31 2.850 15.474 31.460 261 HB2 ALA 31 HB2 ALA 31 2.870 13.728 31.210 262 HB3 ALA 31 HB3 ALA 31 3.496 14.803 29.960 263 H ALA 32 HN ALA 32 7.039 13.618 32.480 264 HA ALA 32 HA ALA 32 7.309 11.506 30.415 265 HB1 ALA 32 HB1 ALA 32 9.306 12.947 30.516 266 HB2 ALA 32 HB2 ALA 32 9.688 11.348 31.160 267 HB3 ALA 32 HB3 ALA 32 9.419 12.703 32.261 268 H ASP 33 HN ASP 33 7.333 9.334 31.314 269 HA ASP 33 HA ASP 33 6.816 7.843 33.046 270 HB2 ASP 33 HB2 ASP 33 6.361 9.458 34.903 271 HB3 ASP 33 HB1 ASP 33 4.949 10.059 34.045 272 H LYS 34 HN LYS 34 3.826 9.693 32.579 273 HA LYS 34 HA LYS 34 2.523 8.235 30.752 274 HB2 LYS 34 HB2 LYS 34 2.184 10.806 31.821 275 HB3 LYS 34 HB1 LYS 34 2.249 11.121 30.099 276 HG2 LYS 34 HG2 LYS 34 0.301 9.285 31.534 277 HG3 LYS 34 HG1 LYS 34 -0.064 10.864 30.830 278 HD2 LYS 34 HD2 LYS 34 0.495 9.928 28.575 279 HD3 LYS 34 HD1 LYS 34 0.749 8.347 29.316 280 HE2 LYS 34 HE2 LYS 34 -1.462 8.469 28.282 281 HE3 LYS 34 HE1 LYS 34 -1.626 8.324 30.034 282 HZ1 LYS 34 HZ1 LYS 34 -1.772 10.886 28.546 283 HZ2 LYS 34 HZ2 LYS 34 -2.084 10.651 30.191 284 HZ3 LYS 34 HZ3 LYS 34 -3.112 9.984 29.030 285 H TYR 35 HN TYR 35 4.909 10.723 29.862 286 HA TYR 35 HA TYR 35 4.629 10.406 27.012 287 HB2 TYR 35 HB2 TYR 35 5.619 12.494 27.866 288 HB3 TYR 35 HB1 TYR 35 6.964 11.616 28.582 289 HD1 TYR 35 HD2 TYR 35 5.359 12.256 25.246 290 HD2 TYR 35 HD1 TYR 35 8.981 11.461 27.359 291 HE1 TYR 35 HE2 TYR 35 6.641 12.531 23.176 292 HE2 TYR 35 HE1 TYR 35 10.262 11.738 25.289 293 HH TYR 35 HH TYR 35 9.822 11.496 22.846 294 H ALA 36 HN ALA 36 6.678 8.964 29.482 295 HA ALA 36 HA ALA 36 8.521 7.557 27.894 296 HB1 ALA 36 HB1 ALA 36 8.824 7.909 30.314 297 HB2 ALA 36 HB2 ALA 36 8.963 6.202 29.896 298 HB3 ALA 36 HB3 ALA 36 7.487 6.811 30.650 299 H GLU 37 HN GLU 37 5.508 6.302 29.445 300 HA GLU 37 HA GLU 37 5.361 3.832 28.270 301 HB2 GLU 37 HB2 GLU 37 2.975 5.639 28.851 302 HB3 GLU 37 HB1 GLU 37 2.953 3.879 28.728 303 HG2 GLU 37 HG2 GLU 37 4.256 5.556 30.889 304 HG3 GLU 37 HG1 GLU 37 2.837 4.527 31.044 305 H LEU 38 HN LEU 38 3.673 6.702 27.206 306 HA LEU 38 HA LEU 38 2.588 5.833 24.821 307 HB2 LEU 38 HB2 LEU 38 3.664 8.608 25.373 308 HB3 LEU 38 HB1 LEU 38 2.599 8.197 24.035 309 HG LEU 38 HG LEU 38 1.908 8.029 26.987 310 HD11 LEU 38 HD11 LEU 38 0.922 9.924 24.844 311 HD12 LEU 38 HD12 LEU 38 2.011 10.313 26.178 312 HD13 LEU 38 HD13 LEU 38 0.348 9.852 26.515 313 HD21 LEU 38 HD21 LEU 38 -0.380 7.455 26.298 314 HD22 LEU 38 HD22 LEU 38 0.765 6.224 25.778 315 HD23 LEU 38 HD23 LEU 38 0.133 7.382 24.607 316 H GLU 39 HN GLU 39 5.903 7.078 25.220 317 HA GLU 39 HA GLU 39 6.872 6.787 22.606 318 HB2 GLU 39 HB2 GLU 39 8.218 6.605 25.323 319 HB3 GLU 39 HB1 GLU 39 9.148 6.331 23.855 320 HG2 GLU 39 HG2 GLU 39 7.607 8.866 24.485 321 HG3 GLU 39 HG1 GLU 39 9.337 8.637 24.752 322 H LYS 40 HN LYS 40 6.691 4.365 25.219 323 HA LYS 40 HA LYS 40 7.960 2.242 23.735 324 HB2 LYS 40 HB2 LYS 40 6.187 2.027 26.202 325 HB3 LYS 40 HB1 LYS 40 7.265 0.774 25.592 326 HG2 LYS 40 HG2 LYS 40 9.196 2.299 26.028 327 HG3 LYS 40 HG1 LYS 40 8.077 3.462 26.735 328 HD2 LYS 40 HD2 LYS 40 8.547 0.642 27.785 329 HD3 LYS 40 HD1 LYS 40 9.307 2.095 28.428 330 HE2 LYS 40 HE2 LYS 40 7.504 1.557 29.885 331 HE3 LYS 40 HE1 LYS 40 6.996 2.963 28.960 332 HZ1 LYS 40 HZ1 LYS 40 6.184 0.168 28.350 333 HZ2 LYS 40 HZ2 LYS 40 5.588 1.573 27.619 334 HZ3 LYS 40 HZ3 LYS 40 5.260 1.262 29.246 335 H GLU 41 HN GLU 41 4.539 2.761 24.667 336 HA GLU 41 HA GLU 41 3.244 0.831 23.233 337 HB2 GLU 41 HB2 GLU 41 2.157 3.668 23.468 338 HB3 GLU 41 HB1 GLU 41 1.245 2.176 23.358 339 HG2 GLU 41 HG2 GLU 41 2.614 3.419 25.723 340 HG3 GLU 41 HG1 GLU 41 1.002 2.738 25.601 341 H LYS 42 HN LYS 42 4.235 3.997 22.152 342 HA LYS 42 HA LYS 42 3.521 3.898 19.410 343 HB2 LYS 42 HB2 LYS 42 4.382 6.002 20.391 344 HB3 LYS 42 HB1 LYS 42 5.960 5.263 20.638 345 HG2 LYS 42 HG2 LYS 42 5.995 4.926 18.059 346 HG3 LYS 42 HG1 LYS 42 4.659 6.078 18.026 347 HD2 LYS 42 HD2 LYS 42 7.412 6.606 19.216 348 HD3 LYS 42 HD1 LYS 42 6.891 7.129 17.612 349 HE2 LYS 42 HE2 LYS 42 5.169 8.554 18.618 350 HE3 LYS 42 HE1 LYS 42 5.622 7.991 20.230 351 HZ1 LYS 42 HZ1 LYS 42 6.580 10.147 19.676 352 HZ2 LYS 42 HZ2 LYS 42 7.423 9.456 18.386 353 HZ3 LYS 42 HZ3 LYS 42 7.769 8.992 19.976 354 H ALA 43 HN ALA 43 6.568 2.980 21.022 355 HA ALA 43 HA ALA 43 8.069 2.106 18.870 356 HB1 ALA 43 HB1 ALA 43 9.006 2.470 21.116 357 HB2 ALA 43 HB2 ALA 43 9.491 0.901 20.467 358 HB3 ALA 43 HB3 ALA 43 8.220 1.002 21.691 359 H THR 44 HN THR 44 5.935 0.079 20.885 360 HA THR 44 HA THR 44 6.235 -2.355 19.504 361 HB THR 44 HB THR 44 3.921 -1.365 21.230 362 HG1 THR 44 HG1 THR 44 5.017 -2.638 22.836 363 HG21 THR 44 HG21 THR 44 3.366 -3.750 21.580 364 HG22 THR 44 HG22 THR 44 4.614 -4.217 20.421 365 HG23 THR 44 HG23 THR 44 3.200 -3.307 19.884 366 H LEU 45 HN LEU 45 3.695 0.197 19.274 367 HA LEU 45 HA LEU 45 2.313 -0.818 17.099 368 HB2 LEU 45 HB2 LEU 45 2.891 2.056 17.797 369 HB3 LEU 45 HB1 LEU 45 2.184 1.686 16.232 370 HG LEU 45 HG LEU 45 0.933 1.124 18.938 371 HD11 LEU 45 HD11 LEU 45 0.796 3.455 18.280 372 HD12 LEU 45 HD12 LEU 45 -0.794 2.700 18.189 373 HD13 LEU 45 HD13 LEU 45 0.124 2.998 16.710 374 HD21 LEU 45 HD21 LEU 45 -0.109 0.367 16.184 375 HD22 LEU 45 HD22 LEU 45 -1.034 0.277 17.685 376 HD23 LEU 45 HD23 LEU 45 0.383 -0.744 17.470 377 H GLU 46 HN GLU 46 5.349 1.109 16.882 378 HA GLU 46 HA GLU 46 5.666 0.995 14.093 379 HB2 GLU 46 HB2 GLU 46 7.821 1.309 16.223 380 HB3 GLU 46 HB1 GLU 46 7.965 1.766 14.521 381 HG2 GLU 46 HG2 GLU 46 6.197 3.439 14.823 382 HG3 GLU 46 HG1 GLU 46 6.029 2.979 16.509 383 H ALA 47 HN ALA 47 6.347 -1.331 16.568 384 HA ALA 47 HA ALA 47 8.431 -2.817 15.155 385 HB1 ALA 47 HB1 ALA 47 8.474 -2.705 17.615 386 HB2 ALA 47 HB2 ALA 47 8.303 -4.378 17.084 387 HB3 ALA 47 HB3 ALA 47 6.899 -3.497 17.699 388 H GLU 48 HN GLU 48 5.165 -3.437 16.253 389 HA GLU 48 HA GLU 48 4.360 -5.685 14.922 390 HB2 GLU 48 HB2 GLU 48 3.111 -4.566 16.749 391 HB3 GLU 48 HB1 GLU 48 2.813 -3.177 15.723 392 HG2 GLU 48 HG2 GLU 48 0.775 -4.256 15.660 393 HG3 GLU 48 HG1 GLU 48 1.547 -4.837 14.188 394 H ILE 49 HN ILE 49 3.560 -2.370 13.999 395 HA ILE 49 HA ILE 49 2.295 -3.066 11.593 396 HB ILE 49 HB ILE 49 2.168 -0.774 10.893 397 HG12 ILE 49 HG12 ILE 49 4.352 -0.171 12.947 398 HG13 ILE 49 HG11 ILE 49 4.455 0.020 11.195 399 HG21 ILE 49 HG21 ILE 49 1.871 -0.924 13.913 400 HG22 ILE 49 HG22 ILE 49 0.671 -1.429 12.726 401 HG23 ILE 49 HG23 ILE 49 1.109 0.272 12.862 402 HD11 ILE 49 HD11 ILE 49 2.738 1.633 13.074 403 HD12 ILE 49 HD12 ILE 49 2.803 1.827 11.319 404 HD13 ILE 49 HD13 ILE 49 4.234 2.153 12.297 405 H ALA 50 HN ALA 50 5.764 -1.919 11.967 406 HA ALA 50 HA ALA 50 6.444 -2.377 9.296 407 HB1 ALA 50 HB1 ALA 50 8.756 -2.270 10.075 408 HB2 ALA 50 HB2 ALA 50 8.221 -2.489 11.744 409 HB3 ALA 50 HB3 ALA 50 7.768 -1.033 10.858 410 H ARG 51 HN ARG 51 6.443 -4.698 12.033 411 HA ARG 51 HA ARG 51 7.645 -6.887 10.733 412 HB2 ARG 51 HB2 ARG 51 7.170 -6.838 13.182 413 HB3 ARG 51 HB1 ARG 51 5.451 -6.989 12.848 414 HG2 ARG 51 HG2 ARG 51 6.261 -9.156 13.511 415 HG3 ARG 51 HG1 ARG 51 5.909 -9.227 11.785 416 HD2 ARG 51 HD2 ARG 51 8.345 -8.876 11.329 417 HD3 ARG 51 HD1 ARG 51 8.643 -8.949 13.070 418 HE ARG 51 HE ARG 51 7.272 -11.263 12.429 419 HH11 ARG 51 HH11 ARG 51 10.366 -9.856 11.504 420 HH12 ARG 51 HH12 ARG 51 11.102 -11.396 11.217 421 HH21 ARG 51 HH21 ARG 51 8.266 -13.253 12.049 422 HH22 ARG 51 HH22 ARG 51 9.918 -13.316 11.531 423 H LEU 52 HN LEU 52 4.241 -6.104 11.048 424 HA LEU 52 HA LEU 52 2.979 -7.771 9.285 425 HB2 LEU 52 HB2 LEU 52 2.464 -4.929 10.134 426 HB3 LEU 52 HB1 LEU 52 1.611 -5.465 8.703 427 HG LEU 52 HG LEU 52 0.201 -5.671 10.695 428 HD11 LEU 52 HD11 LEU 52 -0.556 -7.956 10.418 429 HD12 LEU 52 HD12 LEU 52 0.959 -8.398 9.627 430 HD13 LEU 52 HD13 LEU 52 -0.141 -7.250 8.858 431 HD21 LEU 52 HD21 LEU 52 0.696 -7.281 12.485 432 HD22 LEU 52 HD22 LEU 52 1.898 -5.997 12.410 433 HD23 LEU 52 HD23 LEU 52 2.281 -7.596 11.772 434 H ARG 53 HN ARG 53 4.615 -4.667 8.524 435 HA ARG 53 HA ARG 53 4.282 -4.959 5.705 436 HB2 ARG 53 HB2 ARG 53 5.712 -2.933 7.430 437 HB3 ARG 53 HB1 ARG 53 5.739 -2.859 5.671 438 HG2 ARG 53 HG2 ARG 53 3.268 -2.649 5.644 439 HG3 ARG 53 HG1 ARG 53 3.240 -2.669 7.411 440 HD2 ARG 53 HD2 ARG 53 3.135 -0.361 6.476 441 HD3 ARG 53 HD1 ARG 53 4.572 -0.607 7.488 442 HE ARG 53 HE ARG 53 4.923 -1.092 4.630 443 HH11 ARG 53 HH11 ARG 53 5.248 1.312 7.160 444 HH12 ARG 53 HH12 ARG 53 6.375 2.269 6.255 445 HH21 ARG 53 HH21 ARG 53 6.400 0.164 3.467 446 HH22 ARG 53 HH22 ARG 53 7.018 1.629 4.163 447 H GLU 54 HN GLU 54 6.614 -6.379 7.798 448 HA GLU 54 HA GLU 54 8.507 -6.631 5.539 449 HB2 GLU 54 HB2 GLU 54 10.158 -7.443 6.977 450 HB3 GLU 54 HB1 GLU 54 9.358 -6.192 7.917 451 HG2 GLU 54 HG2 GLU 54 8.124 -7.931 9.164 452 HG3 GLU 54 HG1 GLU 54 8.926 -9.175 8.206 453 H VAL 55 HN VAL 55 6.255 -8.565 7.436 454 HA VAL 55 HA VAL 55 6.398 -10.947 5.843 455 HB VAL 55 HB VAL 55 4.006 -9.776 7.369 456 HG11 VAL 55 HG11 VAL 55 3.054 -12.068 7.333 457 HG12 VAL 55 HG12 VAL 55 4.393 -12.606 6.313 458 HG13 VAL 55 HG13 VAL 55 3.243 -11.414 5.705 459 HG21 VAL 55 HG21 VAL 55 4.614 -11.366 9.181 460 HG22 VAL 55 HG22 VAL 55 5.919 -10.223 8.865 461 HG23 VAL 55 HG23 VAL 55 6.033 -11.878 8.260 462 H HIS 56 HN HIS 56 5.177 -7.752 5.447 463 HA HIS 56 HA HIS 56 3.937 -8.378 2.829 464 HB2 HIS 56 HB2 HIS 56 3.516 -5.952 4.616 465 HB3 HIS 56 HB1 HIS 56 2.950 -6.043 2.960 466 HD1 HIS 56 HD1 HIS 56 0.536 -5.678 3.867 467 HD2 HIS 56 HD2 HIS 56 2.317 -9.212 5.135 468 HE1 HIS 56 HE1 HIS 56 -1.327 -7.066 4.811 469 HE2 HIS 56 HE2 HIS 56 -0.193 -9.127 5.717 470 H SER 57 HN SER 57 6.780 -8.365 3.385 471 HA SER 57 HA SER 57 7.581 -6.466 1.273 472 HB2 SER 57 HB2 SER 57 8.390 -5.449 3.374 473 HB3 SER 57 HB1 SER 57 9.187 -6.955 3.821 474 HG SER 57 HG SER 57 9.860 -5.092 1.823 475 H GLN 58 HN GLN 58 8.912 -9.098 3.318 476 HA GLN 58 HA GLN 58 10.311 -10.626 1.488 477 HB2 GLN 58 HB2 GLN 58 8.497 -11.640 3.728 478 HB3 GLN 58 HB1 GLN 58 9.764 -12.589 2.956 479 HG2 GLN 58 HG2 GLN 58 11.491 -11.246 3.948 480 HG3 GLN 58 HG1 GLN 58 10.331 -10.024 4.473 481 HE21 GLN 58 HE21 GLN 58 10.904 -10.151 6.650 482 HE22 GLN 58 HE22 GLN 58 10.573 -11.528 7.639 483 H LYS 59 HN LYS 59 6.858 -10.695 2.287 484 HA LYS 59 HA LYS 59 6.216 -11.588 -0.455 485 HB2 LYS 59 HB2 LYS 59 4.515 -12.001 2.062 486 HB3 LYS 59 HB1 LYS 59 4.040 -12.435 0.434 487 HG2 LYS 59 HG2 LYS 59 4.638 -14.478 1.425 488 HG3 LYS 59 HG1 LYS 59 6.043 -14.056 0.446 489 HD2 LYS 59 HD2 LYS 59 7.181 -13.195 2.492 490 HD3 LYS 59 HD1 LYS 59 5.777 -13.658 3.459 491 HE2 LYS 59 HE2 LYS 59 6.160 -16.020 2.935 492 HE3 LYS 59 HE1 LYS 59 7.479 -15.593 1.842 493 HZ1 LYS 59 HZ1 LYS 59 8.296 -16.339 3.992 494 HZ2 LYS 59 HZ2 LYS 59 7.457 -15.095 4.768 495 HZ3 LYS 59 HZ3 LYS 59 8.722 -14.730 3.710 496 H LEU 60 HN LEU 60 6.502 -9.339 -1.010 497 HA LEU 60 HA LEU 60 5.763 -7.073 0.320 498 HB2 LEU 60 HB2 LEU 60 7.075 -7.224 -1.846 499 HB3 LEU 60 HB1 LEU 60 5.554 -7.285 -2.708 500 HG LEU 60 HG LEU 60 6.268 -4.908 -0.925 501 HD11 LEU 60 HD11 LEU 60 7.144 -3.697 -2.852 502 HD12 LEU 60 HD12 LEU 60 6.964 -5.133 -3.864 503 HD13 LEU 60 HD13 LEU 60 8.101 -5.138 -2.514 504 HD21 LEU 60 HD21 LEU 60 4.719 -3.628 -2.345 505 HD22 LEU 60 HD22 LEU 60 3.899 -5.005 -1.615 506 HD23 LEU 60 HD23 LEU 60 4.387 -5.070 -3.309 507 H SER 61 HN SER 61 3.791 -8.753 -2.005 508 HA SER 61 HA SER 61 1.333 -8.552 -0.668 509 HB2 SER 61 HB2 SER 61 1.560 -6.117 -1.517 510 HB3 SER 61 HB1 SER 61 1.476 -6.763 -3.153 511 HG SER 61 HG SER 61 -0.521 -6.261 -1.413 512 H LYS 62 HN LYS 62 -0.435 -9.560 -2.260 513 HA LYS 62 HA LYS 62 0.590 -11.939 -3.270 514 HB2 LYS 62 HB2 LYS 62 -1.982 -10.575 -4.160 515 HB3 LYS 62 HB1 LYS 62 -1.569 -12.258 -4.480 516 HG2 LYS 62 HG2 LYS 62 -1.560 -12.714 -2.055 517 HG3 LYS 62 HG1 LYS 62 -1.999 -11.032 -1.740 518 HD2 LYS 62 HD2 LYS 62 -4.109 -11.406 -3.085 519 HD3 LYS 62 HD1 LYS 62 -3.669 -13.113 -3.215 520 HE2 LYS 62 HE2 LYS 62 -4.184 -11.617 -0.625 521 HE3 LYS 62 HE1 LYS 62 -5.321 -12.708 -1.415 522 HZ1 LYS 62 HZ1 LYS 62 -4.150 -13.785 0.387 523 HZ2 LYS 62 HZ2 LYS 62 -2.661 -13.461 -0.341 524 HZ3 LYS 62 HZ3 LYS 62 -3.755 -14.511 -1.085 525 H GLU 63 HN GLU 63 -0.927 -9.644 -5.368 526 HA GLU 63 HA GLU 63 -0.088 -10.240 -7.874 527 HB2 GLU 63 HB2 GLU 63 -1.797 -8.494 -7.129 528 HB3 GLU 63 HB1 GLU 63 -0.464 -7.367 -6.929 529 HG2 GLU 63 HG2 GLU 63 -1.597 -7.004 -9.060 530 HG3 GLU 63 HG1 GLU 63 0.066 -7.549 -9.322 531 H ALA 64 HN ALA 64 1.657 -7.857 -5.766 532 HA ALA 64 HA ALA 64 3.701 -7.214 -7.663 533 HB1 ALA 64 HB1 ALA 64 3.099 -5.737 -5.759 534 HB2 ALA 64 HB2 ALA 64 4.834 -6.062 -5.818 535 HB3 ALA 64 HB3 ALA 64 3.813 -6.899 -4.638 536 H GLN 65 HN GLN 65 3.813 -9.259 -4.736 537 HA GLN 65 HA GLN 65 6.438 -10.282 -4.982 538 HB2 GLN 65 HB2 GLN 65 4.749 -10.550 -3.021 539 HB3 GLN 65 HB1 GLN 65 4.119 -11.932 -3.902 540 HG2 GLN 65 HG2 GLN 65 7.026 -11.716 -3.052 541 HG3 GLN 65 HG1 GLN 65 5.781 -12.387 -2.008 542 HE21 GLN 65 HE21 GLN 65 8.172 -13.634 -3.120 543 HE22 GLN 65 HE22 GLN 65 7.624 -15.023 -3.987 544 H LYS 66 HN LYS 66 3.443 -11.261 -6.632 545 HA LYS 66 HA LYS 66 4.477 -13.526 -8.015 546 HB2 LYS 66 HB2 LYS 66 2.077 -13.323 -7.728 547 HB3 LYS 66 HB1 LYS 66 2.061 -11.771 -8.564 548 HG2 LYS 66 HG2 LYS 66 2.721 -12.894 -10.669 549 HG3 LYS 66 HG1 LYS 66 2.743 -14.442 -9.842 550 HD2 LYS 66 HD2 LYS 66 0.641 -14.178 -11.107 551 HD3 LYS 66 HD1 LYS 66 0.303 -14.218 -9.371 552 HE2 LYS 66 HE2 LYS 66 0.188 -11.744 -9.345 553 HE3 LYS 66 HE1 LYS 66 0.508 -11.712 -11.078 554 HZ1 LYS 66 HZ1 LYS 66 -1.828 -11.439 -10.559 555 HZ2 LYS 66 HZ2 LYS 66 -1.856 -12.947 -9.788 556 HZ3 LYS 66 HZ3 LYS 66 -1.565 -12.855 -11.452 557 H LEU 67 HN LEU 67 3.903 -10.193 -9.016 558 HA LEU 67 HA LEU 67 5.005 -10.064 -11.526 559 HB2 LEU 67 HB2 LEU 67 5.602 -7.973 -9.386 560 HB3 LEU 67 HB1 LEU 67 5.848 -7.745 -11.111 561 HG LEU 67 HG LEU 67 3.164 -8.113 -9.731 562 HD11 LEU 67 HD11 LEU 67 2.730 -5.781 -10.406 563 HD12 LEU 67 HD12 LEU 67 4.374 -5.655 -11.033 564 HD13 LEU 67 HD13 LEU 67 4.103 -5.901 -9.306 565 HD21 LEU 67 HD21 LEU 67 3.128 -9.134 -11.966 566 HD22 LEU 67 HD22 LEU 67 3.711 -7.625 -12.674 567 HD23 LEU 67 HD23 LEU 67 2.127 -7.686 -11.900 568 H MET 68 HN MET 68 6.712 -10.198 -8.554 569 HA MET 68 HA MET 68 9.416 -10.168 -9.551 570 HB2 MET 68 HB2 MET 68 8.375 -11.173 -6.875 571 HB3 MET 68 HB1 MET 68 10.064 -10.831 -7.248 572 HG2 MET 68 HG2 MET 68 9.562 -8.482 -7.545 573 HG3 MET 68 HG1 MET 68 7.839 -8.778 -7.319 574 HE1 MET 68 HE1 MET 68 8.763 -6.780 -4.104 575 HE2 MET 68 HE2 MET 68 7.715 -6.873 -5.519 576 HE3 MET 68 HE3 MET 68 9.436 -6.538 -5.717 577 H LYS 69 HN LYS 69 7.153 -12.766 -8.830 578 HA LYS 69 HA LYS 69 9.101 -14.783 -9.912 579 HB2 LYS 69 HB2 LYS 69 7.848 -16.546 -8.777 580 HB3 LYS 69 HB1 LYS 69 8.291 -15.292 -7.624 581 HG2 LYS 69 HG2 LYS 69 5.987 -14.389 -7.750 582 HG3 LYS 69 HG1 LYS 69 5.550 -15.678 -8.873 583 HD2 LYS 69 HD2 LYS 69 6.066 -17.355 -7.105 584 HD3 LYS 69 HD1 LYS 69 6.454 -16.039 -5.991 585 HE2 LYS 69 HE2 LYS 69 4.084 -15.195 -6.291 586 HE3 LYS 69 HE1 LYS 69 3.743 -16.660 -7.220 587 HZ1 LYS 69 HZ1 LYS 69 3.104 -16.814 -4.870 588 HZ2 LYS 69 HZ2 LYS 69 4.723 -16.621 -4.421 589 HZ3 LYS 69 HZ3 LYS 69 4.251 -17.981 -5.307 590 H MET 70 HN MET 70 7.420 -12.960 -11.549 591 HA MET 70 HA MET 70 5.231 -14.337 -12.721 592 HB2 MET 70 HB2 MET 70 6.738 -11.839 -13.355 593 HB3 MET 70 HB1 MET 70 5.983 -12.606 -14.750 594 HG2 MET 70 HG2 MET 70 4.551 -11.736 -12.237 595 HG3 MET 70 HG1 MET 70 4.547 -10.896 -13.784 596 HE1 MET 70 HE1 MET 70 2.036 -10.846 -14.395 597 HE2 MET 70 HE2 MET 70 1.797 -11.291 -12.700 598 HE3 MET 70 HE3 MET 70 0.927 -12.152 -13.970 599 HA PRO 71 HA PRO 71 7.286 -16.934 -15.736 600 HB2 PRO 71 HB2 PRO 71 5.031 -16.786 -17.596 601 HB3 PRO 71 HB1 PRO 71 5.535 -18.142 -16.587 602 HG2 PRO 71 HG2 PRO 71 3.226 -16.683 -16.180 603 HG3 PRO 71 HG1 PRO 71 4.043 -17.605 -14.915 604 HD2 PRO 71 HD2 PRO 71 4.105 -14.657 -15.446 605 HD3 PRO 71 HD1 PRO 71 4.132 -15.531 -13.897 606 H PHE 72 HN PHE 72 5.302 -14.616 -17.742 607 HA PHE 72 HA PHE 72 7.658 -14.371 -19.522 608 HB2 PHE 72 HB2 PHE 72 4.669 -13.965 -20.038 609 HB3 PHE 72 HB1 PHE 72 5.929 -13.720 -21.239 610 HD1 PHE 72 HD1 PHE 72 7.308 -15.720 -22.012 611 HD2 PHE 72 HD2 PHE 72 3.824 -16.144 -19.570 612 HE1 PHE 72 HE1 PHE 72 7.159 -18.100 -22.623 613 HE2 PHE 72 HE2 PHE 72 3.673 -18.522 -20.202 614 HZ PHE 72 HZ PHE 72 5.344 -19.496 -21.724 615 H GLN 73 HN GLN 73 8.687 -12.391 -19.149 616 HA GLN 73 HA GLN 73 7.123 -9.956 -18.689 617 HB2 GLN 73 HB2 GLN 73 8.117 -9.334 -16.582 618 HB3 GLN 73 HB1 GLN 73 7.475 -10.960 -16.387 619 HG2 GLN 73 HG2 GLN 73 10.411 -10.332 -16.888 620 HG3 GLN 73 HG1 GLN 73 9.706 -10.559 -15.291 621 HE21 GLN 73 HE21 GLN 73 9.070 -12.649 -14.651 622 HE22 GLN 73 HE22 GLN 73 9.587 -14.070 -15.486 623 H ARG 74 HN ARG 74 8.496 -7.970 -18.626 624 HA ARG 74 HA ARG 74 11.309 -7.953 -18.883 625 HB2 ARG 74 HB2 ARG 74 11.529 -6.982 -21.155 626 HB3 ARG 74 HB1 ARG 74 10.894 -8.623 -21.231 627 HG2 ARG 74 HG2 ARG 74 8.639 -7.788 -21.632 628 HG3 ARG 74 HG1 ARG 74 9.175 -6.121 -21.416 629 HD2 ARG 74 HD2 ARG 74 10.515 -6.228 -23.432 630 HD3 ARG 74 HD1 ARG 74 10.203 -7.959 -23.592 631 HE ARG 74 HE ARG 74 7.724 -6.729 -23.600 632 HH11 ARG 74 HH11 ARG 74 10.581 -6.613 -25.653 633 HH12 ARG 74 HH12 ARG 74 9.667 -6.285 -27.087 634 HH21 ARG 74 HH21 ARG 74 6.570 -6.292 -25.504 635 HH22 ARG 74 HH22 ARG 74 7.415 -6.080 -27.002 636 H ALA 75 HN ALA 75 12.012 -5.617 -19.482 637 HA ALA 75 HA ALA 75 10.142 -3.609 -18.315 638 HB1 ALA 75 HB1 ALA 75 13.151 -3.402 -18.745 639 HB2 ALA 75 HB2 ALA 75 12.351 -3.752 -17.212 640 HB3 ALA 75 HB3 ALA 75 12.127 -2.180 -17.980 641 H ILE 76 HN ILE 76 8.930 -2.625 -19.956 642 HA ILE 76 HA ILE 76 9.356 -3.284 -22.667 643 HB ILE 76 HB ILE 76 7.498 -1.127 -21.535 644 HG12 ILE 76 HG12 ILE 76 7.121 -3.296 -20.358 645 HG13 ILE 76 HG11 ILE 76 5.732 -2.807 -21.318 646 HG21 ILE 76 HG21 ILE 76 7.263 -2.740 -24.102 647 HG22 ILE 76 HG22 ILE 76 7.721 -1.040 -23.977 648 HG23 ILE 76 HG23 ILE 76 6.101 -1.547 -23.511 649 HD11 ILE 76 HD11 ILE 76 6.330 -4.443 -23.029 650 HD12 ILE 76 HD12 ILE 76 6.145 -5.200 -21.448 651 HD13 ILE 76 HD13 ILE 76 7.757 -4.908 -22.097 652 H THR 77 HN THR 77 10.494 -2.220 -24.199 653 HA THR 77 HA THR 77 11.939 0.220 -23.725 654 HB THR 77 HB THR 77 12.757 -0.121 -26.068 655 HG1 THR 77 HG1 THR 77 11.954 -1.847 -27.280 656 HG21 THR 77 HG21 THR 77 12.731 -2.675 -24.415 657 HG22 THR 77 HG22 THR 77 13.899 -1.357 -24.270 658 HG23 THR 77 HG23 THR 77 13.842 -2.327 -25.743 659 H LYS 78 HN LYS 78 11.697 2.199 -24.919 660 HA LYS 78 HA LYS 78 9.245 3.380 -25.399 661 HB2 LYS 78 HB2 LYS 78 11.872 3.941 -26.844 662 HB3 LYS 78 HB1 LYS 78 10.500 5.045 -26.801 663 HG2 LYS 78 HG2 LYS 78 10.801 5.470 -24.463 664 HG3 LYS 78 HG1 LYS 78 11.947 4.143 -24.292 665 HD2 LYS 78 HD2 LYS 78 13.117 6.310 -24.280 666 HD3 LYS 78 HD1 LYS 78 13.588 5.354 -25.684 667 HE2 LYS 78 HE2 LYS 78 12.044 6.682 -27.095 668 HE3 LYS 78 HE1 LYS 78 11.593 7.645 -25.687 669 HZ1 LYS 78 HZ1 LYS 78 13.897 8.375 -25.521 670 HZ2 LYS 78 HZ2 LYS 78 13.231 8.774 -27.017 671 HZ3 LYS 78 HZ3 LYS 78 14.303 7.471 -26.892 672 H LYS 79 HN LYS 79 11.371 1.976 -27.724 673 HA LYS 79 HA LYS 79 10.000 1.832 -30.087 674 HB2 LYS 79 HB2 LYS 79 11.653 -0.376 -28.858 675 HB3 LYS 79 HB1 LYS 79 10.886 -0.600 -30.431 676 HG2 LYS 79 HG2 LYS 79 12.063 1.495 -31.214 677 HG3 LYS 79 HG1 LYS 79 12.954 1.487 -29.687 678 HD2 LYS 79 HD2 LYS 79 13.943 -0.673 -30.229 679 HD3 LYS 79 HD1 LYS 79 12.953 -0.796 -31.689 680 HE2 LYS 79 HE2 LYS 79 14.099 1.134 -32.663 681 HE3 LYS 79 HE1 LYS 79 15.043 1.355 -31.189 682 HZ1 LYS 79 HZ1 LYS 79 16.142 -0.720 -31.574 683 HZ2 LYS 79 HZ2 LYS 79 16.254 0.205 -32.985 684 HZ3 LYS 79 HZ3 LYS 79 15.146 -1.067 -32.896 685 H GLU 80 HN GLU 80 9.263 -0.356 -27.334 686 HA GLU 80 HA GLU 80 6.971 -1.521 -28.755 687 HB2 GLU 80 HB2 GLU 80 8.264 -2.144 -26.078 688 HB3 GLU 80 HB1 GLU 80 6.799 -2.937 -26.656 689 HG2 GLU 80 HG2 GLU 80 9.489 -3.004 -28.070 690 HG3 GLU 80 HG1 GLU 80 8.856 -4.277 -27.020 691 H GLN 81 HN GLN 81 7.604 1.049 -26.413 692 HA GLN 81 HA GLN 81 4.879 1.359 -25.679 693 HB2 GLN 81 HB2 GLN 81 7.254 3.254 -25.467 694 HB3 GLN 81 HB1 GLN 81 5.695 3.506 -24.684 695 HG2 GLN 81 HG2 GLN 81 6.034 1.506 -23.312 696 HG3 GLN 81 HG1 GLN 81 7.555 1.169 -24.135 697 HE21 GLN 81 HE21 GLN 81 8.789 1.294 -22.259 698 HE22 GLN 81 HE22 GLN 81 9.079 2.765 -21.406 699 H ALA 82 HN ALA 82 6.572 2.202 -28.615 700 HA ALA 82 HA ALA 82 5.109 4.632 -29.147 701 HB1 ALA 82 HB1 ALA 82 6.230 4.474 -31.356 702 HB2 ALA 82 HB2 ALA 82 6.872 2.884 -30.927 703 HB3 ALA 82 HB3 ALA 82 7.400 4.317 -30.044 704 H ASP 83 HN ASP 83 4.936 1.217 -29.643 705 HA ASP 83 HA ASP 83 2.251 1.433 -30.856 706 HB2 ASP 83 HB2 ASP 83 4.401 -0.677 -31.380 707 HB3 ASP 83 HB1 ASP 83 2.742 -0.778 -31.965 708 H MET 84 HN MET 84 1.946 1.649 -28.426 709 HA MET 84 HA MET 84 1.957 -0.716 -26.808 710 HB2 MET 84 HB2 MET 84 0.882 2.073 -26.522 711 HB3 MET 84 HB1 MET 84 0.053 0.839 -25.581 712 HG2 MET 84 HG2 MET 84 3.013 1.420 -25.481 713 HG3 MET 84 HG1 MET 84 1.811 1.891 -24.272 714 HE1 MET 84 HE1 MET 84 3.647 0.623 -22.585 715 HE2 MET 84 HE2 MET 84 4.578 -0.024 -23.939 716 HE3 MET 84 HE3 MET 84 3.973 -1.108 -22.689 717 H GLY 85 HN GLY 85 -0.238 0.648 -29.124 718 HA2 GLY 85 HA2 GLY 85 -2.559 -0.898 -28.609 719 HA3 GLY 85 HA1 GLY 85 -2.120 -0.209 -30.169 720 H LYS 86 HN LYS 86 -0.010 -1.376 -31.039 721 HA LYS 86 HA LYS 86 -0.673 -3.936 -31.928 722 HB2 LYS 86 HB2 LYS 86 0.808 -2.424 -33.151 723 HB3 LYS 86 HB1 LYS 86 2.002 -2.484 -31.877 724 HG2 LYS 86 HG2 LYS 86 1.272 -5.019 -33.340 725 HG3 LYS 86 HG1 LYS 86 2.334 -3.843 -34.114 726 HD2 LYS 86 HD2 LYS 86 2.830 -5.230 -31.456 727 HD3 LYS 86 HD1 LYS 86 3.634 -5.592 -32.983 728 HE2 LYS 86 HE2 LYS 86 4.604 -3.282 -32.969 729 HE3 LYS 86 HE1 LYS 86 3.842 -3.003 -31.399 730 HZ1 LYS 86 HZ1 LYS 86 5.887 -5.065 -32.001 731 HZ2 LYS 86 HZ2 LYS 86 5.156 -4.826 -30.496 732 HZ3 LYS 86 HZ3 LYS 86 6.149 -3.627 -31.147 733 H LEU 87 HN LEU 87 1.831 -3.032 -29.544 734 HA LEU 87 HA LEU 87 2.677 -5.508 -28.693 735 HB2 LEU 87 HB2 LEU 87 3.775 -3.518 -27.890 736 HB3 LEU 87 HB1 LEU 87 2.330 -2.962 -27.072 737 HG LEU 87 HG LEU 87 2.548 -4.860 -25.446 738 HD11 LEU 87 HD11 LEU 87 3.763 -6.477 -26.839 739 HD12 LEU 87 HD12 LEU 87 4.618 -6.171 -25.327 740 HD13 LEU 87 HD13 LEU 87 5.189 -5.430 -26.824 741 HD21 LEU 87 HD21 LEU 87 3.457 -2.658 -24.882 742 HD22 LEU 87 HD22 LEU 87 5.001 -3.081 -25.629 743 HD23 LEU 87 HD23 LEU 87 4.446 -3.942 -24.189 744 H LYS 88 HN LYS 88 -0.009 -3.704 -27.127 745 HA LYS 88 HA LYS 88 -0.734 -5.819 -25.375 746 HB2 LYS 88 HB2 LYS 88 -2.098 -3.205 -26.100 747 HB3 LYS 88 HB1 LYS 88 -2.703 -4.294 -24.850 748 HG2 LYS 88 HG2 LYS 88 -0.622 -4.069 -23.587 749 HG3 LYS 88 HG1 LYS 88 0.066 -3.049 -24.856 750 HD2 LYS 88 HD2 LYS 88 -1.573 -1.306 -24.398 751 HD3 LYS 88 HD1 LYS 88 -2.401 -2.337 -23.226 752 HE2 LYS 88 HE2 LYS 88 -0.370 -2.342 -21.811 753 HE3 LYS 88 HE1 LYS 88 0.437 -1.289 -22.978 754 HZ1 LYS 88 HZ1 LYS 88 -1.220 0.398 -22.544 755 HZ2 LYS 88 HZ2 LYS 88 -0.454 -0.059 -21.109 756 HZ3 LYS 88 HZ3 LYS 88 -2.013 -0.612 -21.451 757 H LYS 89 HN LYS 89 -1.788 -5.271 -28.702 758 HA LYS 89 HA LYS 89 -4.435 -6.405 -28.393 759 HB2 LYS 89 HB2 LYS 89 -4.609 -6.359 -30.856 760 HB3 LYS 89 HB1 LYS 89 -4.073 -4.822 -30.205 761 HG2 LYS 89 HG2 LYS 89 -2.696 -5.018 -32.048 762 HG3 LYS 89 HG1 LYS 89 -1.677 -5.682 -30.801 763 HD2 LYS 89 HD2 LYS 89 -1.462 -7.047 -32.785 764 HD3 LYS 89 HD1 LYS 89 -2.296 -7.983 -31.547 765 HE2 LYS 89 HE2 LYS 89 -4.460 -7.500 -32.633 766 HE3 LYS 89 HE1 LYS 89 -3.630 -6.563 -33.880 767 HZ1 LYS 89 HZ1 LYS 89 -3.298 -9.463 -33.334 768 HZ2 LYS 89 HZ2 LYS 89 -2.452 -8.598 -34.516 769 HZ3 LYS 89 HZ3 LYS 89 -4.127 -8.786 -34.642 770 H SER 90 HN SER 90 -1.705 -7.976 -27.905 771 HA SER 90 HA SER 90 -2.641 -10.523 -29.102 772 HB2 SER 90 HB2 SER 90 -0.530 -9.744 -30.143 773 HB3 SER 90 HB1 SER 90 0.236 -9.668 -28.554 774 HG SER 90 HG SER 90 -0.501 -11.888 -30.102 775 H VAL 91 HN VAL 91 -0.830 -9.121 -26.377 776 HA VAL 91 HA VAL 91 -0.037 -11.463 -25.136 777 HB VAL 91 HB VAL 91 -0.641 -8.934 -23.558 778 HG11 VAL 91 HG11 VAL 91 1.317 -9.636 -22.196 779 HG12 VAL 91 HG12 VAL 91 1.472 -11.093 -23.181 780 HG13 VAL 91 HG13 VAL 91 0.033 -10.849 -22.190 781 HG21 VAL 91 HG21 VAL 91 0.534 -8.203 -25.556 782 HG22 VAL 91 HG22 VAL 91 1.772 -9.438 -25.337 783 HG23 VAL 91 HG23 VAL 91 1.632 -8.117 -24.175 784 H ARG 92 HN ARG 92 -2.867 -9.474 -24.346 785 HA ARG 92 HA ARG 92 -4.725 -9.728 -23.133 786 HB2 ARG 92 HB2 ARG 92 -4.841 -11.735 -24.841 787 HB3 ARG 92 HB1 ARG 92 -4.549 -12.747 -23.438 788 HG2 ARG 92 HG2 ARG 92 -6.882 -10.807 -23.666 789 HG3 ARG 92 HG1 ARG 92 -6.961 -12.501 -24.132 790 HD2 ARG 92 HD2 ARG 92 -6.384 -11.466 -21.336 791 HD3 ARG 92 HD1 ARG 92 -7.920 -12.130 -21.899 792 HE ARG 92 HE ARG 92 -6.485 -14.233 -22.372 793 HH11 ARG 92 HH11 ARG 92 -5.917 -12.096 -19.634 794 HH12 ARG 92 HH12 ARG 92 -5.334 -13.372 -18.613 795 HH21 ARG 92 HH21 ARG 92 -5.720 -15.881 -21.009 796 HH22 ARG 92 HH22 ARG 92 -5.215 -15.502 -19.392 797 H GLY 93 HN GLY 93 -4.134 -9.011 -21.169 798 HA2 GLY 93 HA2 GLY 93 -4.133 -9.427 -18.812 799 HA3 GLY 93 HA1 GLY 93 -3.316 -10.960 -19.082 800 H LEU 94 HN LEU 94 -2.027 -8.445 -20.992 801 HA LEU 94 HA LEU 94 0.457 -8.286 -19.610 802 HB2 LEU 94 HB2 LEU 94 0.258 -7.843 -22.022 803 HB3 LEU 94 HB1 LEU 94 -0.713 -6.419 -21.711 804 HG LEU 94 HG LEU 94 1.214 -5.271 -20.721 805 HD11 LEU 94 HD11 LEU 94 2.812 -7.801 -21.259 806 HD12 LEU 94 HD12 LEU 94 2.379 -7.150 -19.676 807 HD13 LEU 94 HD13 LEU 94 3.482 -6.258 -20.717 808 HD21 LEU 94 HD21 LEU 94 1.906 -6.494 -23.412 809 HD22 LEU 94 HD22 LEU 94 2.623 -5.033 -22.732 810 HD23 LEU 94 HD23 LEU 94 0.912 -5.060 -23.141 811 H VAL 95 HN VAL 95 1.117 -6.961 -18.149 812 HA VAL 95 HA VAL 95 -0.564 -4.769 -17.044 813 HB VAL 95 HB VAL 95 0.953 -6.838 -15.379 814 HG11 VAL 95 HG11 VAL 95 -0.414 -4.295 -14.390 815 HG12 VAL 95 HG12 VAL 95 1.321 -4.618 -14.367 816 HG13 VAL 95 HG13 VAL 95 0.237 -5.574 -13.357 817 HG21 VAL 95 HG21 VAL 95 -1.281 -7.300 -14.391 818 HG22 VAL 95 HG22 VAL 95 -1.267 -7.591 -16.131 819 HG23 VAL 95 HG23 VAL 95 -2.010 -6.123 -15.487 820 H VAL 96 HN VAL 96 0.589 -2.862 -16.730 821 HA VAL 96 HA VAL 96 3.428 -2.887 -17.514 822 HB VAL 96 HB VAL 96 1.303 -1.080 -18.779 823 HG11 VAL 96 HG11 VAL 96 3.108 -0.303 -20.272 824 HG12 VAL 96 HG12 VAL 96 4.268 -1.306 -19.398 825 HG13 VAL 96 HG13 VAL 96 3.476 0.043 -18.582 826 HG21 VAL 96 HG21 VAL 96 2.811 -3.394 -20.063 827 HG22 VAL 96 HG22 VAL 96 1.733 -2.276 -20.905 828 HG23 VAL 96 HG23 VAL 96 1.089 -3.362 -19.673 829 H VAL 97 HN VAL 97 4.454 -1.834 -15.940 830 HA VAL 97 HA VAL 97 2.996 0.041 -14.153 831 HB VAL 97 HB VAL 97 5.517 -1.549 -13.494 832 HG11 VAL 97 HG11 VAL 97 5.157 0.413 -12.065 833 HG12 VAL 97 HG12 VAL 97 4.938 -1.071 -11.142 834 HG13 VAL 97 HG13 VAL 97 3.529 -0.146 -11.669 835 HG21 VAL 97 HG21 VAL 97 4.085 -3.167 -12.257 836 HG22 VAL 97 HG22 VAL 97 3.731 -3.170 -13.984 837 HG23 VAL 97 HG23 VAL 97 2.640 -2.350 -12.867 838 H HIS 98 HN HIS 98 3.659 2.185 -14.292 839 HA HIS 98 HA HIS 98 5.998 2.886 -15.923 840 HB2 HIS 98 HB2 HIS 98 3.733 3.870 -16.415 841 HB3 HIS 98 HB1 HIS 98 3.695 4.555 -14.801 842 HD2 HIS 98 HD2 HIS 98 4.960 5.382 -18.317 843 HE1 HIS 98 HE1 HIS 98 6.477 8.331 -15.706 844 HE2 HIS 98 HE2 HIS 98 6.322 7.571 -18.106 845 HA PRO 99 HA PRO 99 8.426 3.587 -12.240 846 HB2 PRO 99 HB2 PRO 99 10.128 5.652 -12.967 847 HB3 PRO 99 HB1 PRO 99 10.295 3.989 -13.548 848 HG2 PRO 99 HG2 PRO 99 8.956 6.337 -14.894 849 HG3 PRO 99 HG1 PRO 99 10.111 5.170 -15.573 850 HD2 PRO 99 HD2 PRO 99 7.475 4.913 -16.012 851 HD3 PRO 99 HD1 PRO 99 8.489 3.483 -15.743 852 H MET 100 HN MET 100 6.427 6.191 -13.395 853 HA MET 100 HA MET 100 6.813 7.752 -10.916 854 HB2 MET 100 HB2 MET 100 5.411 8.560 -13.485 855 HB3 MET 100 HB1 MET 100 5.567 9.572 -12.053 856 HG2 MET 100 HG2 MET 100 8.093 9.294 -12.343 857 HG3 MET 100 HG1 MET 100 7.723 8.689 -13.958 858 HE1 MET 100 HE1 MET 100 6.111 10.185 -15.687 859 HE2 MET 100 HE2 MET 100 5.624 11.838 -15.307 860 HE3 MET 100 HE3 MET 100 4.989 10.491 -14.361 861 H THR 101 HN THR 101 4.758 5.368 -11.987 862 HA THR 101 HA THR 101 2.311 6.253 -10.740 863 HB THR 101 HB THR 101 1.595 3.844 -10.776 864 HG1 THR 101 HG1 THR 101 4.268 3.463 -11.314 865 HG21 THR 101 HG21 THR 101 1.543 3.572 -13.253 866 HG22 THR 101 HG22 THR 101 2.697 4.898 -13.400 867 HG23 THR 101 HG23 THR 101 1.091 5.199 -12.739 868 H ALA 102 HN ALA 102 1.397 4.667 -8.946 869 HA ALA 102 HA ALA 102 2.677 5.223 -6.540 870 HB1 ALA 102 HB1 ALA 102 0.272 4.713 -6.712 871 HB2 ALA 102 HB2 ALA 102 1.052 3.686 -5.511 872 HB3 ALA 102 HB3 ALA 102 0.649 3.030 -7.099 873 H LEU 103 HN LEU 103 2.321 1.934 -8.014 874 HA LEU 103 HA LEU 103 4.167 0.640 -6.300 875 HB2 LEU 103 HB2 LEU 103 2.152 -0.273 -7.685 876 HB3 LEU 103 HB1 LEU 103 3.233 -0.230 -9.059 877 HG LEU 103 HG LEU 103 4.763 -1.841 -7.903 878 HD11 LEU 103 HD11 LEU 103 3.985 -3.063 -5.908 879 HD12 LEU 103 HD12 LEU 103 2.592 -1.988 -5.781 880 HD13 LEU 103 HD13 LEU 103 4.224 -1.350 -5.567 881 HD21 LEU 103 HD21 LEU 103 3.348 -3.827 -8.236 882 HD22 LEU 103 HD22 LEU 103 3.095 -2.648 -9.520 883 HD23 LEU 103 HD23 LEU 103 1.901 -2.813 -8.230 884 H GLY 104 HN GLY 104 4.303 1.688 -9.720 885 HA2 GLY 104 HA2 GLY 104 6.773 1.432 -10.528 886 HA3 GLY 104 HA1 GLY 104 5.911 2.934 -10.791 887 H ARG 105 HN ARG 105 5.997 3.980 -8.025 888 HA ARG 105 HA ARG 105 8.792 4.698 -7.881 889 HB2 ARG 105 HB2 ARG 105 6.381 5.592 -6.242 890 HB3 ARG 105 HB1 ARG 105 8.015 6.230 -6.060 891 HG2 ARG 105 HG2 ARG 105 7.908 7.100 -8.370 892 HG3 ARG 105 HG1 ARG 105 6.261 6.499 -8.517 893 HD2 ARG 105 HD2 ARG 105 5.531 7.960 -6.679 894 HD3 ARG 105 HD1 ARG 105 7.185 8.539 -6.460 895 HE ARG 105 HE ARG 105 6.665 9.155 -9.043 896 HH11 ARG 105 HH11 ARG 105 4.850 9.793 -6.092 897 HH12 ARG 105 HH12 ARG 105 4.294 11.340 -6.638 898 HH21 ARG 105 HH21 ARG 105 5.903 11.190 -9.731 899 HH22 ARG 105 HH22 ARG 105 4.879 12.116 -8.685 900 H GLU 106 HN GLU 106 6.430 2.601 -6.204 901 HA GLU 106 HA GLU 106 7.668 2.704 -3.671 902 HB2 GLU 106 HB2 GLU 106 5.252 2.229 -4.028 903 HB3 GLU 106 HB1 GLU 106 5.662 0.722 -4.837 904 HG2 GLU 106 HG2 GLU 106 4.922 0.363 -2.514 905 HG3 GLU 106 HG1 GLU 106 6.581 -0.188 -2.766 906 H MET 107 HN MET 107 7.454 -0.023 -6.156 907 HA MET 107 HA MET 107 9.472 -1.575 -4.900 908 HB2 MET 107 HB2 MET 107 8.310 -1.652 -7.731 909 HB3 MET 107 HB1 MET 107 9.409 -2.859 -7.092 910 HG2 MET 107 HG2 MET 107 7.574 -3.219 -5.246 911 HG3 MET 107 HG1 MET 107 6.523 -2.367 -6.366 912 HE1 MET 107 HE1 MET 107 6.371 -4.896 -9.375 913 HE2 MET 107 HE2 MET 107 7.523 -3.556 -9.285 914 HE3 MET 107 HE3 MET 107 5.853 -3.328 -8.756 915 H GLY 108 HN GLY 108 9.571 1.290 -6.739 916 HA2 GLY 108 HA2 GLY 108 11.365 2.689 -7.069 917 HA3 GLY 108 HA1 GLY 108 12.441 1.418 -6.520 918 H LEU 109 HN LEU 109 10.112 1.391 -9.194 919 HA LEU 109 HA LEU 109 11.998 0.199 -10.988 920 HB2 LEU 109 HB2 LEU 109 9.240 1.356 -11.559 921 HB3 LEU 109 HB1 LEU 109 10.193 0.401 -12.689 922 HG LEU 109 HG LEU 109 8.965 -0.569 -10.072 923 HD11 LEU 109 HD11 LEU 109 7.361 -0.370 -11.914 924 HD12 LEU 109 HD12 LEU 109 7.641 -2.058 -11.504 925 HD13 LEU 109 HD13 LEU 109 8.392 -1.368 -12.946 926 HD21 LEU 109 HD21 LEU 109 10.755 -2.127 -11.984 927 HD22 LEU 109 HD22 LEU 109 9.867 -2.816 -10.622 928 HD23 LEU 109 HD23 LEU 109 11.154 -1.650 -10.331 929 H GLU 110 HN GLU 110 13.172 1.085 -12.566 930 HA GLU 110 HA GLU 110 13.535 4.004 -12.638 931 HB2 GLU 110 HB2 GLU 110 15.648 3.450 -13.847 932 HB3 GLU 110 HB1 GLU 110 15.540 2.633 -12.293 933 HG2 GLU 110 HG2 GLU 110 14.850 0.546 -13.450 934 HG3 GLU 110 HG1 GLU 110 14.987 1.376 -14.999 935 H GLU 111 HN GLU 111 11.763 1.734 -14.311 936 HA GLU 111 HA GLU 111 11.549 3.303 -16.760 937 HB2 GLU 111 HB2 GLU 111 13.520 1.794 -17.116 938 HB3 GLU 111 HB1 GLU 111 12.521 0.399 -16.750 939 HG2 GLU 111 HG2 GLU 111 12.936 0.668 -19.158 940 HG3 GLU 111 HG1 GLU 111 11.218 0.731 -18.768 941 H MET 112 HN MET 112 9.769 2.524 -18.139 942 HA MET 112 HA MET 112 7.470 1.497 -16.799 943 HB2 MET 112 HB2 MET 112 7.000 2.999 -18.612 944 HB3 MET 112 HB1 MET 112 8.133 2.177 -19.683 945 HG2 MET 112 HG2 MET 112 6.653 0.387 -20.083 946 HG3 MET 112 HG1 MET 112 5.656 0.781 -18.688 947 HE1 MET 112 HE1 MET 112 3.404 3.600 -19.839 948 HE2 MET 112 HE2 MET 112 4.809 3.655 -18.780 949 HE3 MET 112 HE3 MET 112 3.687 2.299 -18.678 950 H THR 113 HN THR 113 7.150 -0.637 -16.412 951 HA THR 113 HA THR 113 8.851 -2.586 -17.779 952 HB THR 113 HB THR 113 7.676 -2.765 -14.944 953 HG1 THR 113 HG1 THR 113 9.245 -1.009 -15.255 954 HG21 THR 113 HG21 THR 113 8.334 -4.937 -15.948 955 HG22 THR 113 HG22 THR 113 9.376 -4.512 -14.592 956 HG23 THR 113 HG23 THR 113 9.957 -4.305 -16.246 957 H GLY 114 HN GLY 114 7.576 -4.695 -18.203 958 HA2 GLY 114 HA2 GLY 114 4.759 -4.657 -17.427 959 HA3 GLY 114 HA1 GLY 114 5.205 -4.870 -19.117 960 H PHE 115 HN PHE 115 4.016 -6.564 -16.836 961 HA PHE 115 HA PHE 115 5.618 -9.025 -17.235 962 HB2 PHE 115 HB2 PHE 115 3.850 -8.442 -14.807 963 HB3 PHE 115 HB1 PHE 115 5.019 -9.737 -15.007 964 HD1 PHE 115 HD2 PHE 115 4.656 -6.059 -14.495 965 HD2 PHE 115 HD1 PHE 115 7.296 -9.421 -14.254 966 HE1 PHE 115 HE2 PHE 115 6.282 -4.708 -13.235 967 HE2 PHE 115 HE1 PHE 115 8.911 -8.058 -13.003 968 HZ PHE 115 HZ PHE 115 8.411 -5.702 -12.493 969 H SER 116 HN SER 116 4.258 -10.931 -17.769 970 HA SER 116 HA SER 116 1.482 -10.847 -16.897 971 HB2 SER 116 HB2 SER 116 1.591 -10.012 -19.287 972 HB3 SER 116 HB1 SER 116 2.341 -11.529 -19.759 973 HG SER 116 HG SER 116 -0.282 -11.105 -18.771 974 H LYS 117 HN LYS 117 0.456 -12.990 -17.361 975 HA LYS 117 HA LYS 117 2.137 -15.280 -16.673 976 HB2 LYS 117 HB2 LYS 117 -0.867 -14.872 -16.983 977 HB3 LYS 117 HB1 LYS 117 -0.157 -16.443 -16.641 978 HG2 LYS 117 HG2 LYS 117 0.270 -14.033 -14.842 979 HG3 LYS 117 HG1 LYS 117 -1.106 -15.117 -14.642 980 HD2 LYS 117 HD2 LYS 117 1.840 -15.816 -14.394 981 HD3 LYS 117 HD1 LYS 117 0.672 -15.701 -13.076 982 HE2 LYS 117 HE2 LYS 117 -0.598 -17.602 -14.147 983 HE3 LYS 117 HE1 LYS 117 0.721 -17.761 -15.311 984 HZ1 LYS 117 HZ1 LYS 117 0.997 -19.320 -13.527 985 HZ2 LYS 117 HZ2 LYS 117 0.920 -18.090 -12.369 986 HZ3 LYS 117 HZ3 LYS 117 2.226 -18.159 -13.437 987 H THR 118 HN THR 118 1.090 -13.674 -19.421 988 HA THR 118 HA THR 118 0.940 -16.086 -21.110 989 HB THR 118 HB THR 118 -0.363 -13.521 -22.044 990 HG1 THR 118 HG1 THR 118 -1.848 -13.477 -20.535 991 HG21 THR 118 HG21 THR 118 -0.413 -15.587 -23.428 992 HG22 THR 118 HG22 THR 118 -2.034 -15.083 -22.953 993 HG23 THR 118 HG23 THR 118 -1.253 -16.430 -22.117 994 H THR 119 HN THR 119 1.923 -15.869 -23.184 995 HA THR 119 HA THR 119 4.493 -14.730 -23.020 996 HB THR 119 HB THR 119 4.145 -16.828 -24.191 997 HG1 THR 119 HG1 THR 119 4.909 -15.052 -26.254 998 HG21 THR 119 HG21 THR 119 2.596 -15.299 -26.312 999 HG22 THR 119 HG22 THR 119 1.896 -16.432 -25.156 1000 HG23 THR 119 HG23 THR 119 3.034 -17.009 -26.375 1001 H PHE 120 HN PHE 120 5.482 -13.060 -23.985 1002 HA PHE 120 HA PHE 120 4.498 -11.663 -26.267 1003 HB2 PHE 120 HB2 PHE 120 4.256 -9.423 -25.349 1004 HB3 PHE 120 HB1 PHE 120 3.152 -10.505 -24.520 1005 HD1 PHE 120 HD1 PHE 120 3.864 -11.387 -22.184 1006 HD2 PHE 120 HD2 PHE 120 5.733 -8.047 -24.094 1007 HE1 PHE 120 HE1 PHE 120 4.725 -10.619 -20.021 1008 HE2 PHE 120 HE2 PHE 120 6.591 -7.295 -21.918 1009 HZ PHE 120 HZ PHE 120 6.086 -8.581 -19.881 Start of MODEL 3 1 H MET 1 HT1 MET 1 -14.098 -0.546 -4.486 2 HA MET 1 HA MET 1 -15.851 -2.143 -4.142 3 HB2 MET 1 HB2 MET 1 -14.628 -4.160 -4.839 4 HB3 MET 1 HB1 MET 1 -13.531 -4.007 -3.477 5 HG2 MET 1 HG2 MET 1 -15.447 -4.420 -1.932 6 HG3 MET 1 HG1 MET 1 -16.490 -4.643 -3.335 7 HE1 MET 1 HE1 MET 1 -12.718 -5.857 -2.887 8 HE2 MET 1 HE2 MET 1 -12.986 -7.497 -2.294 9 HE3 MET 1 HE3 MET 1 -13.427 -6.113 -1.292 10 H LYS 2 HN LYS 2 -12.943 -2.487 -2.055 11 HA LYS 2 HA LYS 2 -14.439 -1.265 0.191 12 HB2 LYS 2 HB2 LYS 2 -12.343 -3.478 0.304 13 HB3 LYS 2 HB1 LYS 2 -13.076 -2.708 1.705 14 HG2 LYS 2 HG2 LYS 2 -14.534 -4.381 -0.366 15 HG3 LYS 2 HG1 LYS 2 -14.075 -4.905 1.255 16 HD2 LYS 2 HD2 LYS 2 -15.585 -3.220 2.242 17 HD3 LYS 2 HD1 LYS 2 -16.014 -2.643 0.629 18 HE2 LYS 2 HE2 LYS 2 -17.005 -4.848 0.106 19 HE3 LYS 2 HE1 LYS 2 -16.570 -5.426 1.716 20 HZ1 LYS 2 HZ1 LYS 2 -18.852 -4.783 1.702 21 HZ2 LYS 2 HZ2 LYS 2 -18.491 -3.258 1.066 22 HZ3 LYS 2 HZ3 LYS 2 -18.001 -3.657 2.632 23 H GLU 3 HN GLU 3 -13.695 0.793 -0.258 24 HA GLU 3 HA GLU 3 -10.842 1.385 -0.455 25 HB2 GLU 3 HB2 GLU 3 -13.122 3.400 -0.287 26 HB3 GLU 3 HB1 GLU 3 -11.506 3.651 -0.943 27 HG2 GLU 3 HG2 GLU 3 -13.799 2.092 -2.150 28 HG3 GLU 3 HG1 GLU 3 -12.985 3.514 -2.802 29 H VAL 4 HN VAL 4 -13.037 0.893 1.986 30 HA VAL 4 HA VAL 4 -12.426 2.702 4.020 31 HB VAL 4 HB VAL 4 -13.127 -0.261 4.353 32 HG11 VAL 4 HG11 VAL 4 -12.460 0.815 6.466 33 HG12 VAL 4 HG12 VAL 4 -14.176 0.411 6.482 34 HG13 VAL 4 HG13 VAL 4 -13.665 2.082 6.219 35 HG21 VAL 4 HG21 VAL 4 -15.050 2.075 4.006 36 HG22 VAL 4 HG22 VAL 4 -15.502 0.401 4.333 37 HG23 VAL 4 HG23 VAL 4 -14.725 0.820 2.807 38 H GLU 5 HN GLU 5 -10.745 -0.147 2.896 39 HA GLU 5 HA GLU 5 -8.781 -0.731 4.700 40 HB2 GLU 5 HB2 GLU 5 -9.081 -1.813 2.449 41 HB3 GLU 5 HB1 GLU 5 -8.345 -0.410 1.692 42 HG2 GLU 5 HG2 GLU 5 -6.678 -2.128 1.790 43 HG3 GLU 5 HG1 GLU 5 -6.235 -0.895 2.972 44 H LYS 6 HN LYS 6 -8.398 1.777 2.172 45 HA LYS 6 HA LYS 6 -6.006 2.951 2.963 46 HB2 LYS 6 HB2 LYS 6 -8.458 4.301 1.760 47 HB3 LYS 6 HB1 LYS 6 -6.939 5.140 2.005 48 HG2 LYS 6 HG2 LYS 6 -6.898 4.549 -0.258 49 HG3 LYS 6 HG1 LYS 6 -5.872 3.334 0.505 50 HD2 LYS 6 HD2 LYS 6 -7.701 1.692 0.399 51 HD3 LYS 6 HD1 LYS 6 -8.794 2.917 -0.256 52 HE2 LYS 6 HE2 LYS 6 -7.284 3.131 -2.255 53 HE3 LYS 6 HE1 LYS 6 -6.301 1.814 -1.613 54 HZ1 LYS 6 HZ1 LYS 6 -7.883 1.063 -3.287 55 HZ2 LYS 6 HZ2 LYS 6 -9.168 1.612 -2.343 56 HZ3 LYS 6 HZ3 LYS 6 -8.198 0.350 -1.790 57 H ASN 7 HN ASN 7 -9.249 3.466 4.300 58 HA ASN 7 HA ASN 7 -8.570 5.644 6.038 59 HB2 ASN 7 HB2 ASN 7 -10.925 3.717 6.203 60 HB3 ASN 7 HB1 ASN 7 -10.783 5.231 7.093 61 HD21 ASN 7 HD21 ASN 7 -12.746 4.272 5.019 62 HD22 ASN 7 HD22 ASN 7 -12.761 5.521 3.827 63 H GLU 8 HN GLU 8 -8.613 2.093 6.458 64 HA GLU 8 HA GLU 8 -8.027 1.964 9.212 65 HB2 GLU 8 HB2 GLU 8 -7.541 0.065 6.908 66 HB3 GLU 8 HB1 GLU 8 -6.739 -0.271 8.434 67 HG2 GLU 8 HG2 GLU 8 -8.725 -1.572 8.360 68 HG3 GLU 8 HG1 GLU 8 -8.963 -0.304 9.555 69 H ILE 9 HN ILE 9 -5.730 2.064 6.415 70 HA ILE 9 HA ILE 9 -3.369 2.081 7.900 71 HB ILE 9 HB ILE 9 -3.927 3.290 5.154 72 HG12 ILE 9 HG12 ILE 9 -4.451 0.861 5.250 73 HG13 ILE 9 HG11 ILE 9 -3.042 1.153 4.242 74 HG21 ILE 9 HG21 ILE 9 -1.482 3.101 4.729 75 HG22 ILE 9 HG22 ILE 9 -1.232 2.604 6.405 76 HG23 ILE 9 HG23 ILE 9 -1.839 4.221 6.047 77 HD11 ILE 9 HD11 ILE 9 -1.572 0.378 6.050 78 HD12 ILE 9 HD12 ILE 9 -2.774 -0.838 5.630 79 HD13 ILE 9 HD13 ILE 9 -2.979 0.125 7.089 80 H LYS 10 HN LYS 10 -5.449 4.751 6.838 81 HA LYS 10 HA LYS 10 -3.878 6.935 7.699 82 HB2 LYS 10 HB2 LYS 10 -5.824 7.183 6.210 83 HB3 LYS 10 HB1 LYS 10 -6.914 6.656 7.482 84 HG2 LYS 10 HG2 LYS 10 -5.240 9.152 7.841 85 HG3 LYS 10 HG1 LYS 10 -6.726 9.211 6.896 86 HD2 LYS 10 HD2 LYS 10 -8.060 8.603 8.815 87 HD3 LYS 10 HD1 LYS 10 -6.633 8.205 9.764 88 HE2 LYS 10 HE2 LYS 10 -5.965 10.656 9.595 89 HE3 LYS 10 HE1 LYS 10 -7.563 10.964 8.911 90 HZ1 LYS 10 HZ1 LYS 10 -8.583 10.253 10.921 91 HZ2 LYS 10 HZ2 LYS 10 -7.358 11.336 11.356 92 HZ3 LYS 10 HZ3 LYS 10 -7.128 9.671 11.551 93 H ARG 11 HN ARG 11 -6.444 5.191 9.321 94 HA ARG 11 HA ARG 11 -6.529 6.303 11.827 95 HB2 ARG 11 HB2 ARG 11 -8.109 4.629 11.179 96 HB3 ARG 11 HB1 ARG 11 -6.862 3.395 11.061 97 HG2 ARG 11 HG2 ARG 11 -6.552 3.499 13.522 98 HG3 ARG 11 HG1 ARG 11 -7.835 4.713 13.619 99 HD2 ARG 11 HD2 ARG 11 -8.176 1.864 12.593 100 HD3 ARG 11 HD1 ARG 11 -8.663 2.454 14.182 101 HE ARG 11 HE ARG 11 -10.262 3.930 13.072 102 HH11 ARG 11 HH11 ARG 11 -9.091 1.222 11.176 103 HH12 ARG 11 HH12 ARG 11 -10.434 1.246 10.085 104 HH21 ARG 11 HH21 ARG 11 -12.028 3.933 11.644 105 HH22 ARG 11 HH22 ARG 11 -12.099 2.778 10.353 106 H LEU 12 HN LEU 12 -4.455 3.418 11.113 107 HA LEU 12 HA LEU 12 -3.169 3.443 13.643 108 HB2 LEU 12 HB2 LEU 12 -1.568 1.819 12.693 109 HB3 LEU 12 HB1 LEU 12 -3.238 1.416 12.365 110 HG LEU 12 HG LEU 12 -2.694 2.638 10.023 111 HD11 LEU 12 HD11 LEU 12 -0.447 2.115 9.197 112 HD12 LEU 12 HD12 LEU 12 0.029 1.555 10.803 113 HD13 LEU 12 HD13 LEU 12 -0.386 3.251 10.544 114 HD21 LEU 12 HD21 LEU 12 -3.555 0.366 10.219 115 HD22 LEU 12 HD22 LEU 12 -1.941 -0.240 10.609 116 HD23 LEU 12 HD23 LEU 12 -2.271 0.446 9.014 117 H SER 13 HN SER 13 -2.105 4.808 10.532 118 HA SER 13 HA SER 13 0.209 6.078 11.200 119 HB2 SER 13 HB2 SER 13 -0.815 6.167 8.949 120 HB3 SER 13 HB1 SER 13 -2.046 7.276 9.553 121 HG SER 13 HG SER 13 0.725 7.727 9.217 122 H ASP 14 HN ASP 14 -3.035 7.613 11.634 123 HA ASP 14 HA ASP 14 -2.326 9.894 13.034 124 HB2 ASP 14 HB2 ASP 14 -4.586 9.505 12.119 125 HB3 ASP 14 HB1 ASP 14 -4.841 8.186 13.251 126 H ARG 15 HN ARG 15 -2.684 6.653 14.145 127 HA ARG 15 HA ARG 15 -2.821 7.106 16.976 128 HB2 ARG 15 HB2 ARG 15 -3.429 4.918 15.842 129 HB3 ARG 15 HB1 ARG 15 -1.711 4.603 15.623 130 HG2 ARG 15 HG2 ARG 15 -2.501 3.380 17.560 131 HG3 ARG 15 HG1 ARG 15 -1.410 4.660 18.102 132 HD2 ARG 15 HD2 ARG 15 -3.472 6.079 18.551 133 HD3 ARG 15 HD1 ARG 15 -4.437 4.634 18.233 134 HE ARG 15 HE ARG 15 -2.541 3.967 20.173 135 HH11 ARG 15 HH11 ARG 15 -5.371 6.038 19.888 136 HH12 ARG 15 HH12 ARG 15 -5.711 6.014 21.586 137 HH21 ARG 15 HH21 ARG 15 -2.997 3.966 22.405 138 HH22 ARG 15 HH22 ARG 15 -4.359 4.852 23.009 139 H LEU 16 HN LEU 16 -0.060 6.037 14.919 140 HA LEU 16 HA LEU 16 1.907 6.259 16.943 141 HB2 LEU 16 HB2 LEU 16 1.906 4.857 14.782 142 HB3 LEU 16 HB1 LEU 16 2.362 6.315 13.928 143 HG LEU 16 HG LEU 16 4.251 4.684 14.439 144 HD11 LEU 16 HD11 LEU 16 5.935 6.338 15.034 145 HD12 LEU 16 HD12 LEU 16 4.676 7.463 15.557 146 HD13 LEU 16 HD13 LEU 16 4.791 6.987 13.862 147 HD21 LEU 16 HD21 LEU 16 3.554 3.998 16.684 148 HD22 LEU 16 HD22 LEU 16 3.910 5.612 17.305 149 HD23 LEU 16 HD23 LEU 16 5.211 4.596 16.682 150 H ASP 17 HN ASP 17 0.878 8.522 14.330 151 HA ASP 17 HA ASP 17 2.733 10.525 14.602 152 HB2 ASP 17 HB2 ASP 17 1.110 10.391 12.768 153 HB3 ASP 17 HB1 ASP 17 -0.219 10.699 13.879 154 H ALA 18 HN ALA 18 -0.558 10.609 16.055 155 HA ALA 18 HA ALA 18 -0.260 12.599 17.879 156 HB1 ALA 18 HB1 ALA 18 -2.377 11.426 17.481 157 HB2 ALA 18 HB2 ALA 18 -2.040 11.578 19.206 158 HB3 ALA 18 HB3 ALA 18 -1.784 10.033 18.389 159 H ILE 19 HN ILE 19 1.088 9.350 18.174 160 HA ILE 19 HA ILE 19 1.819 9.642 20.970 161 HB ILE 19 HB ILE 19 2.669 7.569 18.907 162 HG12 ILE 19 HG12 ILE 19 0.967 7.454 21.445 163 HG13 ILE 19 HG11 ILE 19 0.385 7.321 19.790 164 HG21 ILE 19 HG21 ILE 19 3.630 7.671 21.807 165 HG22 ILE 19 HG22 ILE 19 4.640 7.912 20.380 166 HG23 ILE 19 HG23 ILE 19 3.905 6.338 20.676 167 HD11 ILE 19 HD11 ILE 19 0.393 5.174 20.863 168 HD12 ILE 19 HD12 ILE 19 2.101 5.325 21.258 169 HD13 ILE 19 HD13 ILE 19 1.595 5.186 19.574 170 H ARG 20 HN ARG 20 3.755 9.965 17.884 171 HA ARG 20 HA ARG 20 6.109 10.717 19.210 172 HB2 ARG 20 HB2 ARG 20 6.988 11.284 17.005 173 HB3 ARG 20 HB1 ARG 20 6.125 9.753 16.952 174 HG2 ARG 20 HG2 ARG 20 4.320 10.668 15.729 175 HG3 ARG 20 HG1 ARG 20 4.760 12.324 16.144 176 HD2 ARG 20 HD2 ARG 20 6.297 10.491 14.274 177 HD3 ARG 20 HD1 ARG 20 5.283 11.856 13.792 178 HE ARG 20 HE ARG 20 7.978 11.942 14.824 179 HH11 ARG 20 HH11 ARG 20 5.058 13.866 14.435 180 HH12 ARG 20 HH12 ARG 20 5.880 15.371 14.668 181 HH21 ARG 20 HH21 ARG 20 9.029 13.916 15.122 182 HH22 ARG 20 HH22 ARG 20 8.141 15.405 15.034 183 H HIS 21 HN HIS 21 3.441 12.877 17.863 184 HA HIS 21 HA HIS 21 4.719 15.277 18.463 185 HB2 HIS 21 HB2 HIS 21 2.540 14.868 17.135 186 HB3 HIS 21 HB1 HIS 21 1.720 14.766 18.678 187 HD1 HIS 21 HD1 HIS 21 2.402 17.088 20.276 188 HD2 HIS 21 HD2 HIS 21 2.340 17.401 16.123 189 HE1 HIS 21 HE1 HIS 21 2.193 19.533 19.790 190 HE2 HIS 21 HE2 HIS 21 2.142 19.708 17.280 191 H GLN 22 HN GLN 22 2.638 13.215 20.298 192 HA GLN 22 HA GLN 22 2.490 14.649 22.740 193 HB2 GLN 22 HB2 GLN 22 1.013 12.834 22.571 194 HB3 GLN 22 HB1 GLN 22 2.270 11.706 22.082 195 HG2 GLN 22 HG2 GLN 22 3.141 11.634 24.329 196 HG3 GLN 22 HG1 GLN 22 2.016 12.887 24.849 197 HE21 GLN 22 HE21 GLN 22 2.226 9.578 23.664 198 HE22 GLN 22 HE22 GLN 22 0.732 9.032 24.338 199 H GLN 23 HN GLN 23 5.016 12.452 21.489 200 HA GLN 23 HA GLN 23 6.729 12.760 23.782 201 HB2 GLN 23 HB2 GLN 23 7.005 11.460 21.071 202 HB3 GLN 23 HB1 GLN 23 8.401 11.640 22.132 203 HG2 GLN 23 HG2 GLN 23 7.332 10.301 23.843 204 HG3 GLN 23 HG1 GLN 23 5.863 10.173 22.865 205 HE21 GLN 23 HE21 GLN 23 8.019 8.207 23.839 206 HE22 GLN 23 HE22 GLN 23 8.405 7.307 22.412 207 H ALA 24 HN ALA 24 6.343 14.488 20.691 208 HA ALA 24 HA ALA 24 8.684 16.000 20.800 209 HB1 ALA 24 HB1 ALA 24 7.143 16.063 18.879 210 HB2 ALA 24 HB2 ALA 24 7.514 17.689 19.459 211 HB3 ALA 24 HB3 ALA 24 5.960 16.942 19.847 212 H ASP 25 HN ASP 25 5.445 16.837 22.227 213 HA ASP 25 HA ASP 25 6.296 18.878 23.904 214 HB2 ASP 25 HB2 ASP 25 4.088 16.828 24.383 215 HB3 ASP 25 HB1 ASP 25 4.225 18.396 25.175 216 H LEU 26 HN LEU 26 7.294 15.637 24.065 217 HA LEU 26 HA LEU 26 8.155 15.965 26.885 218 HB2 LEU 26 HB2 LEU 26 8.018 13.358 25.326 219 HB3 LEU 26 HB1 LEU 26 8.414 13.550 27.029 220 HG LEU 26 HG LEU 26 5.714 14.059 25.748 221 HD11 LEU 26 HD11 LEU 26 6.603 11.868 27.621 222 HD12 LEU 26 HD12 LEU 26 6.197 11.703 25.913 223 HD13 LEU 26 HD13 LEU 26 4.948 12.142 27.071 224 HD21 LEU 26 HD21 LEU 26 4.820 14.443 27.977 225 HD22 LEU 26 HD22 LEU 26 6.041 15.646 27.567 226 HD23 LEU 26 HD23 LEU 26 6.443 14.326 28.675 227 H SER 27 HN SER 27 10.224 15.296 27.463 228 HA SER 27 HA SER 27 12.181 14.623 25.354 229 HB2 SER 27 HB2 SER 27 12.443 17.075 26.022 230 HB3 SER 27 HB1 SER 27 12.785 16.519 27.663 231 HG SER 27 HG SER 27 14.609 16.942 26.062 232 H LEU 28 HN LEU 28 14.238 13.760 26.545 233 HA LEU 28 HA LEU 28 13.406 11.563 28.190 234 HB2 LEU 28 HB2 LEU 28 15.197 11.511 26.395 235 HB3 LEU 28 HB1 LEU 28 16.242 12.412 27.473 236 HG LEU 28 HG LEU 28 16.579 9.838 27.279 237 HD11 LEU 28 HD11 LEU 28 17.255 9.545 29.598 238 HD12 LEU 28 HD12 LEU 28 16.337 10.979 30.069 239 HD13 LEU 28 HD13 LEU 28 17.732 11.135 29.000 240 HD21 LEU 28 HD21 LEU 28 14.188 9.809 29.140 241 HD22 LEU 28 HD22 LEU 28 15.182 8.419 28.688 242 HD23 LEU 28 HD23 LEU 28 14.198 9.230 27.473 243 H VAL 29 HN VAL 29 15.128 14.597 28.733 244 HA VAL 29 HA VAL 29 16.033 14.034 31.376 245 HB VAL 29 HB VAL 29 15.652 16.759 30.056 246 HG11 VAL 29 HG11 VAL 29 17.408 15.992 32.420 247 HG12 VAL 29 HG12 VAL 29 15.933 16.952 32.497 248 HG13 VAL 29 HG13 VAL 29 17.346 17.583 31.655 249 HG21 VAL 29 HG21 VAL 29 17.107 15.300 28.698 250 HG22 VAL 29 HG22 VAL 29 18.135 14.999 30.099 251 HG23 VAL 29 HG23 VAL 29 18.027 16.623 29.415 252 H GLU 30 HN GLU 30 13.194 15.809 30.108 253 HA GLU 30 HA GLU 30 12.141 16.404 32.751 254 HB2 GLU 30 HB2 GLU 30 10.192 17.355 31.572 255 HB3 GLU 30 HB1 GLU 30 11.703 17.973 30.912 256 HG2 GLU 30 HG2 GLU 30 11.490 16.308 29.045 257 HG3 GLU 30 HG1 GLU 30 9.906 15.868 29.680 258 H ALA 31 HN ALA 31 11.703 13.879 30.341 259 HA ALA 31 HA ALA 31 9.789 12.511 32.137 260 HB1 ALA 31 HB1 ALA 31 8.479 13.536 30.326 261 HB2 ALA 31 HB2 ALA 31 8.466 11.777 30.184 262 HB3 ALA 31 HB3 ALA 31 9.489 12.742 29.117 263 H ALA 32 HN ALA 32 11.762 11.430 32.811 264 HA ALA 32 HA ALA 32 12.700 9.275 31.036 265 HB1 ALA 32 HB1 ALA 32 14.340 10.348 32.539 266 HB2 ALA 32 HB2 ALA 32 14.139 8.650 32.967 267 HB3 ALA 32 HB3 ALA 32 13.372 9.902 33.943 268 H ASP 33 HN ASP 33 10.155 8.987 31.077 269 HA ASP 33 HA ASP 33 9.191 6.990 32.793 270 HB2 ASP 33 HB2 ASP 33 9.167 8.782 34.507 271 HB3 ASP 33 HB1 ASP 33 8.242 9.825 33.434 272 H LYS 34 HN LYS 34 7.064 9.680 31.887 273 HA LYS 34 HA LYS 34 5.476 8.424 30.072 274 HB2 LYS 34 HB2 LYS 34 6.241 11.336 30.271 275 HB3 LYS 34 HB1 LYS 34 5.225 10.814 28.932 276 HG2 LYS 34 HG2 LYS 34 4.575 10.516 31.876 277 HG3 LYS 34 HG1 LYS 34 3.865 11.678 30.750 278 HD2 LYS 34 HD2 LYS 34 2.953 9.768 29.413 279 HD3 LYS 34 HD1 LYS 34 3.584 8.649 30.626 280 HE2 LYS 34 HE2 LYS 34 1.496 10.800 31.080 281 HE3 LYS 34 HE1 LYS 34 1.198 9.063 30.984 282 HZ1 LYS 34 HZ1 LYS 34 1.265 9.832 33.263 283 HZ2 LYS 34 HZ2 LYS 34 2.828 10.435 33.055 284 HZ3 LYS 34 HZ3 LYS 34 2.547 8.769 32.971 285 H TYR 35 HN TYR 35 8.511 10.062 29.247 286 HA TYR 35 HA TYR 35 8.213 9.715 26.405 287 HB2 TYR 35 HB2 TYR 35 9.782 11.450 27.324 288 HB3 TYR 35 HB1 TYR 35 10.807 10.168 27.926 289 HD1 TYR 35 HD1 TYR 35 9.274 11.288 24.667 290 HD2 TYR 35 HD2 TYR 35 12.641 9.516 26.606 291 HE1 TYR 35 HE1 TYR 35 10.473 11.196 22.519 292 HE2 TYR 35 HE2 TYR 35 13.838 9.438 24.475 293 HH TYR 35 HH TYR 35 13.165 9.316 22.014 294 H ALA 36 HN ALA 36 9.774 7.871 29.005 295 HA ALA 36 HA ALA 36 11.139 5.927 27.506 296 HB1 ALA 36 HB1 ALA 36 11.601 6.382 29.881 297 HB2 ALA 36 HB2 ALA 36 11.268 4.672 29.616 298 HB3 ALA 36 HB3 ALA 36 10.031 5.714 30.326 299 H GLU 37 HN GLU 37 8.011 5.661 29.174 300 HA GLU 37 HA GLU 37 7.163 3.193 28.310 301 HB2 GLU 37 HB2 GLU 37 5.406 5.617 28.872 302 HB3 GLU 37 HB1 GLU 37 4.870 3.943 28.878 303 HG2 GLU 37 HG2 GLU 37 6.886 5.130 30.802 304 HG3 GLU 37 HG1 GLU 37 5.175 4.909 31.147 305 H LEU 38 HN LEU 38 6.012 6.222 27.057 306 HA LEU 38 HA LEU 38 4.744 5.410 24.746 307 HB2 LEU 38 HB2 LEU 38 6.297 7.985 25.015 308 HB3 LEU 38 HB1 LEU 38 5.041 7.677 23.820 309 HG LEU 38 HG LEU 38 4.608 7.730 26.837 310 HD11 LEU 38 HD11 LEU 38 5.124 9.942 25.982 311 HD12 LEU 38 HD12 LEU 38 3.443 9.836 26.499 312 HD13 LEU 38 HD13 LEU 38 3.842 9.799 24.777 313 HD21 LEU 38 HD21 LEU 38 2.534 7.505 24.633 314 HD22 LEU 38 HD22 LEU 38 2.218 7.658 26.365 315 HD23 LEU 38 HD23 LEU 38 3.017 6.216 25.742 316 H GLU 39 HN GLU 39 8.270 5.978 24.950 317 HA GLU 39 HA GLU 39 8.957 5.243 22.303 318 HB2 GLU 39 HB2 GLU 39 10.485 5.045 24.915 319 HB3 GLU 39 HB1 GLU 39 11.215 4.491 23.410 320 HG2 GLU 39 HG2 GLU 39 10.213 7.318 23.884 321 HG3 GLU 39 HG1 GLU 39 11.877 6.805 24.134 322 H LYS 40 HN LYS 40 8.366 3.314 25.087 323 HA LYS 40 HA LYS 40 8.980 0.719 23.890 324 HB2 LYS 40 HB2 LYS 40 7.399 1.270 26.436 325 HB3 LYS 40 HB1 LYS 40 7.926 -0.328 25.905 326 HG2 LYS 40 HG2 LYS 40 10.310 0.569 25.952 327 HG3 LYS 40 HG1 LYS 40 9.663 2.007 26.743 328 HD2 LYS 40 HD2 LYS 40 9.317 -0.791 27.880 329 HD3 LYS 40 HD1 LYS 40 10.704 0.226 28.252 330 HE2 LYS 40 HE2 LYS 40 9.201 0.496 30.056 331 HE3 LYS 40 HE1 LYS 40 9.050 1.966 29.099 332 HZ1 LYS 40 HZ1 LYS 40 7.188 -0.347 28.976 333 HZ2 LYS 40 HZ2 LYS 40 7.001 1.135 28.180 334 HZ3 LYS 40 HZ3 LYS 40 6.922 1.068 29.867 335 H GLU 41 HN GLU 41 5.846 2.189 24.730 336 HA GLU 41 HA GLU 41 4.023 0.643 23.386 337 HB2 GLU 41 HB2 GLU 41 4.028 3.682 23.687 338 HB3 GLU 41 HB1 GLU 41 2.628 2.738 23.194 339 HG2 GLU 41 HG2 GLU 41 4.036 2.613 25.873 340 HG3 GLU 41 HG1 GLU 41 2.470 3.354 25.545 341 H LYS 42 HN LYS 42 6.006 3.215 22.160 342 HA LYS 42 HA LYS 42 5.162 3.210 19.410 343 HB2 LYS 42 HB2 LYS 42 6.516 5.092 20.220 344 HB3 LYS 42 HB1 LYS 42 7.871 4.025 20.565 345 HG2 LYS 42 HG2 LYS 42 8.039 3.512 18.120 346 HG3 LYS 42 HG1 LYS 42 6.767 4.692 17.809 347 HD2 LYS 42 HD2 LYS 42 9.436 5.326 19.129 348 HD3 LYS 42 HD1 LYS 42 9.092 5.561 17.413 349 HE2 LYS 42 HE2 LYS 42 7.355 7.190 17.959 350 HE3 LYS 42 HE1 LYS 42 7.601 6.911 19.685 351 HZ1 LYS 42 HZ1 LYS 42 8.718 8.909 18.950 352 HZ2 LYS 42 HZ2 LYS 42 9.620 8.036 17.814 353 HZ3 LYS 42 HZ3 LYS 42 9.844 7.765 19.466 354 H ALA 43 HN ALA 43 7.980 1.753 20.984 355 HA ALA 43 HA ALA 43 9.166 0.317 18.950 356 HB1 ALA 43 HB1 ALA 43 10.195 0.588 21.169 357 HB2 ALA 43 HB2 ALA 43 10.226 -1.100 20.653 358 HB3 ALA 43 HB3 ALA 43 9.042 -0.562 21.850 359 H THR 44 HN THR 44 6.566 -0.807 21.007 360 HA THR 44 HA THR 44 6.154 -3.368 19.842 361 HB THR 44 HB THR 44 4.249 -1.690 21.533 362 HG1 THR 44 HG1 THR 44 5.746 -2.025 22.995 363 HG21 THR 44 HG21 THR 44 3.250 -3.854 22.216 364 HG22 THR 44 HG22 THR 44 4.323 -4.703 21.103 365 HG23 THR 44 HG23 THR 44 3.086 -3.615 20.472 366 H LEU 45 HN LEU 45 4.289 -0.330 19.615 367 HA LEU 45 HA LEU 45 2.478 -1.020 17.670 368 HB2 LEU 45 HB2 LEU 45 3.724 1.602 18.344 369 HB3 LEU 45 HB1 LEU 45 3.035 1.504 16.733 370 HG LEU 45 HG LEU 45 1.533 1.127 19.352 371 HD11 LEU 45 HD11 LEU 45 0.273 3.105 18.628 372 HD12 LEU 45 HD12 LEU 45 1.286 3.232 17.188 373 HD13 LEU 45 HD13 LEU 45 1.992 3.463 18.788 374 HD21 LEU 45 HD21 LEU 45 0.517 0.780 16.506 375 HD22 LEU 45 HD22 LEU 45 -0.493 0.840 17.950 376 HD23 LEU 45 HD23 LEU 45 0.650 -0.481 17.739 377 H GLU 46 HN GLU 46 5.771 0.123 17.048 378 HA GLU 46 HA GLU 46 5.868 -0.178 14.308 379 HB2 GLU 46 HB2 GLU 46 8.125 -0.500 16.310 380 HB3 GLU 46 HB1 GLU 46 8.331 -0.278 14.574 381 HG2 GLU 46 HG2 GLU 46 7.228 1.956 14.768 382 HG3 GLU 46 HG1 GLU 46 7.115 1.722 16.507 383 H ALA 47 HN ALA 47 7.633 -2.415 16.465 384 HA ALA 47 HA ALA 47 7.979 -4.715 15.278 385 HB1 ALA 47 HB1 ALA 47 6.568 -4.573 17.963 386 HB2 ALA 47 HB2 ALA 47 8.303 -4.392 17.695 387 HB3 ALA 47 HB3 ALA 47 7.519 -5.934 17.359 388 H GLU 48 HN GLU 48 4.687 -4.078 16.532 389 HA GLU 48 HA GLU 48 3.236 -6.136 15.353 390 HB2 GLU 48 HB2 GLU 48 2.335 -4.634 17.108 391 HB3 GLU 48 HB1 GLU 48 2.396 -3.271 16.002 392 HG2 GLU 48 HG2 GLU 48 0.131 -3.889 16.124 393 HG3 GLU 48 HG1 GLU 48 0.700 -4.480 14.565 394 H ILE 49 HN ILE 49 3.220 -2.841 14.276 395 HA ILE 49 HA ILE 49 2.039 -3.394 11.722 396 HB ILE 49 HB ILE 49 2.205 -1.088 11.085 397 HG12 ILE 49 HG12 ILE 49 4.187 -0.728 13.378 398 HG13 ILE 49 HG11 ILE 49 4.580 -0.666 11.665 399 HG21 ILE 49 HG21 ILE 49 0.506 -1.602 12.774 400 HG22 ILE 49 HG22 ILE 49 1.119 0.034 12.995 401 HG23 ILE 49 HG23 ILE 49 1.656 -1.258 14.071 402 HD11 ILE 49 HD11 ILE 49 4.523 1.529 12.665 403 HD12 ILE 49 HD12 ILE 49 2.845 1.297 13.154 404 HD13 ILE 49 HD13 ILE 49 3.265 1.367 11.440 405 H ALA 50 HN ALA 50 5.161 -4.106 12.517 406 HA ALA 50 HA ALA 50 6.322 -3.521 9.857 407 HB1 ALA 50 HB1 ALA 50 8.547 -3.631 10.945 408 HB2 ALA 50 HB2 ALA 50 7.771 -3.903 12.506 409 HB3 ALA 50 HB3 ALA 50 7.544 -2.369 11.670 410 H ARG 51 HN ARG 51 6.127 -5.754 12.457 411 HA ARG 51 HA ARG 51 6.707 -8.235 11.211 412 HB2 ARG 51 HB2 ARG 51 5.959 -8.058 13.644 413 HB3 ARG 51 HB1 ARG 51 4.304 -7.904 13.071 414 HG2 ARG 51 HG2 ARG 51 4.675 -10.190 13.761 415 HG3 ARG 51 HG1 ARG 51 4.504 -10.158 12.004 416 HD2 ARG 51 HD2 ARG 51 6.976 -10.244 11.776 417 HD3 ARG 51 HD1 ARG 51 7.123 -10.308 13.537 418 HE ARG 51 HE ARG 51 5.444 -12.386 12.542 419 HH11 ARG 51 HH11 ARG 51 8.834 -11.528 12.937 420 HH12 ARG 51 HH12 ARG 51 9.361 -13.182 12.957 421 HH21 ARG 51 HH21 ARG 51 6.153 -14.520 12.562 422 HH22 ARG 51 HH22 ARG 51 7.842 -14.876 12.755 423 H LEU 52 HN LEU 52 3.709 -6.523 11.359 424 HA LEU 52 HA LEU 52 2.185 -7.926 9.474 425 HB2 LEU 52 HB2 LEU 52 1.923 -5.282 10.827 426 HB3 LEU 52 HB1 LEU 52 1.039 -5.421 9.324 427 HG LEU 52 HG LEU 52 -0.332 -5.955 11.368 428 HD11 LEU 52 HD11 LEU 52 -0.014 -8.245 9.398 429 HD12 LEU 52 HD12 LEU 52 -1.006 -6.803 9.170 430 HD13 LEU 52 HD13 LEU 52 -1.411 -7.954 10.438 431 HD21 LEU 52 HD21 LEU 52 -0.011 -8.076 12.540 432 HD22 LEU 52 HD22 LEU 52 1.426 -7.071 12.701 433 HD23 LEU 52 HD23 LEU 52 1.425 -8.429 11.573 434 H ARG 53 HN ARG 53 4.310 -5.029 8.996 435 HA ARG 53 HA ARG 53 3.939 -5.292 6.101 436 HB2 ARG 53 HB2 ARG 53 5.356 -3.233 7.803 437 HB3 ARG 53 HB1 ARG 53 5.378 -3.201 6.042 438 HG2 ARG 53 HG2 ARG 53 2.959 -2.909 5.957 439 HG3 ARG 53 HG1 ARG 53 2.820 -3.094 7.705 440 HD2 ARG 53 HD2 ARG 53 2.665 -0.750 7.162 441 HD3 ARG 53 HD1 ARG 53 4.209 -1.021 7.982 442 HE ARG 53 HE ARG 53 3.924 -0.764 5.039 443 HH11 ARG 53 HH11 ARG 53 5.729 -0.030 7.960 444 HH12 ARG 53 HH12 ARG 53 6.882 0.963 7.132 445 HH21 ARG 53 HH21 ARG 53 5.433 0.537 3.976 446 HH22 ARG 53 HH22 ARG 53 6.725 1.271 4.875 447 H GLU 54 HN GLU 54 5.927 -7.026 8.120 448 HA GLU 54 HA GLU 54 7.842 -7.430 5.874 449 HB2 GLU 54 HB2 GLU 54 9.181 -8.833 7.265 450 HB3 GLU 54 HB1 GLU 54 8.728 -7.481 8.293 451 HG2 GLU 54 HG2 GLU 54 6.984 -8.905 9.344 452 HG3 GLU 54 HG1 GLU 54 7.484 -10.245 8.319 453 H VAL 55 HN VAL 55 5.107 -8.634 7.441 454 HA VAL 55 HA VAL 55 4.716 -11.071 5.907 455 HB VAL 55 HB VAL 55 2.576 -9.283 7.194 456 HG11 VAL 55 HG11 VAL 55 1.594 -10.545 5.336 457 HG12 VAL 55 HG12 VAL 55 1.014 -11.190 6.873 458 HG13 VAL 55 HG13 VAL 55 2.269 -12.050 5.966 459 HG21 VAL 55 HG21 VAL 55 2.419 -11.029 8.928 460 HG22 VAL 55 HG22 VAL 55 4.059 -10.402 8.842 461 HG23 VAL 55 HG23 VAL 55 3.686 -11.967 8.130 462 H HIS 56 HN HIS 56 3.608 -7.593 5.538 463 HA HIS 56 HA HIS 56 3.380 -7.912 2.700 464 HB2 HIS 56 HB2 HIS 56 3.035 -5.553 4.594 465 HB3 HIS 56 HB1 HIS 56 2.814 -5.437 2.853 466 HD1 HIS 56 HD1 HIS 56 0.421 -5.478 2.259 467 HD2 HIS 56 HD2 HIS 56 1.180 -7.829 5.600 468 HE1 HIS 56 HE1 HIS 56 -1.819 -6.350 2.998 469 HE2 HIS 56 HE2 HIS 56 -1.341 -7.680 5.083 470 H SER 57 HN SER 57 6.129 -8.393 3.615 471 HA SER 57 HA SER 57 7.319 -6.615 1.591 472 HB2 SER 57 HB2 SER 57 8.529 -7.051 4.334 473 HB3 SER 57 HB1 SER 57 9.531 -6.625 2.944 474 HG SER 57 HG SER 57 7.238 -5.128 3.651 475 H GLN 58 HN GLN 58 8.005 -9.494 3.623 476 HA GLN 58 HA GLN 58 9.384 -11.027 1.721 477 HB2 GLN 58 HB2 GLN 58 7.297 -12.023 3.718 478 HB3 GLN 58 HB1 GLN 58 8.540 -13.012 2.955 479 HG2 GLN 58 HG2 GLN 58 10.279 -12.010 4.249 480 HG3 GLN 58 HG1 GLN 58 9.241 -10.673 4.752 481 HE21 GLN 58 HE21 GLN 58 9.471 -10.995 6.935 482 HE22 GLN 58 HE22 GLN 58 8.821 -12.358 7.777 483 H LYS 59 HN LYS 59 5.916 -10.563 2.337 484 HA LYS 59 HA LYS 59 5.342 -11.188 -0.480 485 HB2 LYS 59 HB2 LYS 59 3.444 -11.686 1.865 486 HB3 LYS 59 HB1 LYS 59 3.066 -11.939 0.171 487 HG2 LYS 59 HG2 LYS 59 3.478 -14.106 0.948 488 HG3 LYS 59 HG1 LYS 59 5.008 -13.665 0.192 489 HD2 LYS 59 HD2 LYS 59 5.861 -13.025 2.498 490 HD3 LYS 59 HD1 LYS 59 4.371 -13.681 3.169 491 HE2 LYS 59 HE2 LYS 59 6.391 -15.273 1.553 492 HE3 LYS 59 HE1 LYS 59 6.293 -15.258 3.312 493 HZ1 LYS 59 HZ1 LYS 59 4.083 -16.183 3.165 494 HZ2 LYS 59 HZ2 LYS 59 5.200 -17.179 2.383 495 HZ3 LYS 59 HZ3 LYS 59 4.165 -16.197 1.475 496 H LEU 60 HN LEU 60 5.883 -8.934 -0.812 497 HA LEU 60 HA LEU 60 5.143 -6.659 0.492 498 HB2 LEU 60 HB2 LEU 60 6.623 -6.846 -1.565 499 HB3 LEU 60 HB1 LEU 60 5.181 -6.882 -2.550 500 HG LEU 60 HG LEU 60 5.892 -4.477 -0.803 501 HD11 LEU 60 HD11 LEU 60 6.835 -3.375 -2.813 502 HD12 LEU 60 HD12 LEU 60 6.647 -4.876 -3.725 503 HD13 LEU 60 HD13 LEU 60 7.758 -4.808 -2.357 504 HD21 LEU 60 HD21 LEU 60 4.445 -3.191 -2.342 505 HD22 LEU 60 HD22 LEU 60 3.551 -4.477 -1.537 506 HD23 LEU 60 HD23 LEU 60 4.053 -4.675 -3.218 507 H SER 61 HN SER 61 3.332 -7.863 -2.286 508 HA SER 61 HA SER 61 0.767 -7.531 -0.988 509 HB2 SER 61 HB2 SER 61 1.267 -5.271 -2.112 510 HB3 SER 61 HB1 SER 61 1.245 -6.114 -3.660 511 HG SER 61 HG SER 61 -0.906 -6.157 -1.812 512 H LYS 62 HN LYS 62 -0.981 -8.482 -2.574 513 HA LYS 62 HA LYS 62 -0.076 -11.089 -3.209 514 HB2 LYS 62 HB2 LYS 62 -2.713 -9.711 -3.805 515 HB3 LYS 62 HB1 LYS 62 -2.415 -11.406 -4.184 516 HG2 LYS 62 HG2 LYS 62 -1.967 -11.838 -1.776 517 HG3 LYS 62 HG1 LYS 62 -2.353 -10.157 -1.416 518 HD2 LYS 62 HD2 LYS 62 -4.313 -12.097 -2.709 519 HD3 LYS 62 HD1 LYS 62 -4.212 -11.842 -0.969 520 HE2 LYS 62 HE2 LYS 62 -6.026 -10.501 -1.742 521 HE3 LYS 62 HE1 LYS 62 -4.706 -9.384 -1.411 522 HZ1 LYS 62 HZ1 LYS 62 -4.273 -9.185 -3.731 523 HZ2 LYS 62 HZ2 LYS 62 -5.932 -8.959 -3.504 524 HZ3 LYS 62 HZ3 LYS 62 -5.355 -10.423 -4.110 525 H GLU 63 HN GLU 63 -1.433 -8.658 -5.499 526 HA GLU 63 HA GLU 63 -0.678 -9.944 -7.873 527 HB2 GLU 63 HB2 GLU 63 -2.314 -8.014 -7.790 528 HB3 GLU 63 HB1 GLU 63 -0.970 -6.929 -7.520 529 HG2 GLU 63 HG2 GLU 63 -1.738 -6.920 -9.874 530 HG3 GLU 63 HG1 GLU 63 -0.049 -7.403 -9.709 531 H ALA 64 HN ALA 64 1.100 -7.533 -5.917 532 HA ALA 64 HA ALA 64 3.264 -7.013 -7.642 533 HB1 ALA 64 HB1 ALA 64 3.319 -7.059 -4.596 534 HB2 ALA 64 HB2 ALA 64 2.806 -5.695 -5.594 535 HB3 ALA 64 HB3 ALA 64 4.483 -6.246 -5.650 536 H GLN 65 HN GLN 65 3.149 -9.270 -4.904 537 HA GLN 65 HA GLN 65 5.505 -10.717 -5.215 538 HB2 GLN 65 HB2 GLN 65 2.859 -11.277 -3.958 539 HB3 GLN 65 HB1 GLN 65 3.762 -12.722 -4.388 540 HG2 GLN 65 HG2 GLN 65 4.909 -10.474 -2.720 541 HG3 GLN 65 HG1 GLN 65 4.103 -11.889 -2.047 542 HE21 GLN 65 HE21 GLN 65 6.956 -10.776 -3.785 543 HE22 GLN 65 HE22 GLN 65 7.909 -12.192 -3.514 544 H LYS 66 HN LYS 66 2.360 -11.397 -6.785 545 HA LYS 66 HA LYS 66 3.093 -13.578 -8.346 546 HB2 LYS 66 HB2 LYS 66 0.798 -13.135 -7.935 547 HB3 LYS 66 HB1 LYS 66 0.910 -11.489 -8.542 548 HG2 LYS 66 HG2 LYS 66 1.019 -12.241 -10.819 549 HG3 LYS 66 HG1 LYS 66 1.209 -13.927 -10.318 550 HD2 LYS 66 HD2 LYS 66 -1.061 -14.048 -9.521 551 HD3 LYS 66 HD1 LYS 66 -1.268 -12.297 -9.618 552 HE2 LYS 66 HE2 LYS 66 -0.784 -14.023 -12.061 553 HE3 LYS 66 HE1 LYS 66 -2.401 -13.658 -11.449 554 HZ1 LYS 66 HZ1 LYS 66 -1.994 -11.330 -11.752 555 HZ2 LYS 66 HZ2 LYS 66 -1.676 -12.136 -13.201 556 HZ3 LYS 66 HZ3 LYS 66 -0.398 -11.612 -12.228 557 H LEU 67 HN LEU 67 3.076 -10.069 -9.327 558 HA LEU 67 HA LEU 67 4.110 -10.220 -11.791 559 HB2 LEU 67 HB2 LEU 67 4.886 -8.217 -9.632 560 HB3 LEU 67 HB1 LEU 67 5.181 -8.001 -11.350 561 HG LEU 67 HG LEU 67 2.458 -8.105 -9.993 562 HD11 LEU 67 HD11 LEU 67 3.855 -5.784 -11.350 563 HD12 LEU 67 HD12 LEU 67 3.660 -5.994 -9.609 564 HD13 LEU 67 HD13 LEU 67 2.242 -5.759 -10.629 565 HD21 LEU 67 HD21 LEU 67 1.467 -7.617 -12.170 566 HD22 LEU 67 HD22 LEU 67 2.341 -9.144 -12.230 567 HD23 LEU 67 HD23 LEU 67 3.054 -7.692 -12.937 568 H MET 68 HN MET 68 6.239 -9.674 -9.009 569 HA MET 68 HA MET 68 8.696 -10.290 -9.821 570 HB2 MET 68 HB2 MET 68 7.482 -11.237 -7.198 571 HB3 MET 68 HB1 MET 68 9.200 -10.988 -7.495 572 HG2 MET 68 HG2 MET 68 8.931 -8.635 -7.641 573 HG3 MET 68 HG1 MET 68 7.179 -8.756 -7.766 574 HE1 MET 68 HE1 MET 68 7.454 -6.971 -4.312 575 HE2 MET 68 HE2 MET 68 6.789 -6.917 -5.943 576 HE3 MET 68 HE3 MET 68 8.515 -6.675 -5.690 577 H LYS 69 HN LYS 69 6.370 -12.917 -8.855 578 HA LYS 69 HA LYS 69 8.216 -14.917 -9.998 579 HB2 LYS 69 HB2 LYS 69 6.831 -16.584 -8.863 580 HB3 LYS 69 HB1 LYS 69 7.294 -15.315 -7.735 581 HG2 LYS 69 HG2 LYS 69 5.034 -14.277 -8.064 582 HG3 LYS 69 HG1 LYS 69 4.588 -15.657 -9.062 583 HD2 LYS 69 HD2 LYS 69 4.893 -17.168 -7.139 584 HD3 LYS 69 HD1 LYS 69 5.406 -15.805 -6.137 585 HE2 LYS 69 HE2 LYS 69 3.182 -14.759 -6.414 586 HE3 LYS 69 HE1 LYS 69 2.669 -16.114 -7.420 587 HZ1 LYS 69 HZ1 LYS 69 1.876 -16.322 -5.153 588 HZ2 LYS 69 HZ2 LYS 69 3.460 -16.301 -4.567 589 HZ3 LYS 69 HZ3 LYS 69 2.936 -17.584 -5.534 590 H MET 70 HN MET 70 6.690 -13.103 -11.818 591 HA MET 70 HA MET 70 4.781 -14.723 -13.237 592 HB2 MET 70 HB2 MET 70 6.310 -12.218 -13.979 593 HB3 MET 70 HB1 MET 70 5.443 -13.106 -15.226 594 HG2 MET 70 HG2 MET 70 4.188 -11.917 -12.747 595 HG3 MET 70 HG1 MET 70 4.150 -11.227 -14.365 596 HE1 MET 70 HE1 MET 70 1.696 -11.048 -14.891 597 HE2 MET 70 HE2 MET 70 1.391 -11.365 -13.177 598 HE3 MET 70 HE3 MET 70 0.485 -12.245 -14.410 599 HA PRO 71 HA PRO 71 7.726 -17.247 -15.583 600 HB2 PRO 71 HB2 PRO 71 6.118 -17.835 -17.769 601 HB3 PRO 71 HB1 PRO 71 6.034 -18.690 -16.226 602 HG2 PRO 71 HG2 PRO 71 4.308 -16.460 -17.271 603 HG3 PRO 71 HG1 PRO 71 3.832 -17.930 -16.391 604 HD2 PRO 71 HD2 PRO 71 4.027 -15.520 -15.160 605 HD3 PRO 71 HD1 PRO 71 4.429 -17.037 -14.324 606 H PHE 72 HN PHE 72 5.814 -14.879 -17.568 607 HA PHE 72 HA PHE 72 8.214 -14.539 -19.324 608 HB2 PHE 72 HB2 PHE 72 5.271 -14.185 -20.094 609 HB3 PHE 72 HB1 PHE 72 6.643 -13.888 -21.154 610 HD1 PHE 72 HD1 PHE 72 8.030 -15.814 -21.971 611 HD2 PHE 72 HD2 PHE 72 4.437 -16.419 -19.726 612 HE1 PHE 72 HE1 PHE 72 7.944 -18.152 -22.723 613 HE2 PHE 72 HE2 PHE 72 4.358 -18.749 -20.485 614 HZ PHE 72 HZ PHE 72 6.115 -19.621 -21.983 615 H GLN 73 HN GLN 73 9.070 -12.336 -19.167 616 HA GLN 73 HA GLN 73 7.390 -10.141 -18.408 617 HB2 GLN 73 HB2 GLN 73 8.325 -9.645 -16.219 618 HB3 GLN 73 HB1 GLN 73 7.693 -11.282 -16.177 619 HG2 GLN 73 HG2 GLN 73 10.629 -10.580 -16.508 620 HG3 GLN 73 HG1 GLN 73 9.869 -10.993 -14.976 621 HE21 GLN 73 HE21 GLN 73 9.169 -13.145 -14.646 622 HE22 GLN 73 HE22 GLN 73 9.784 -14.458 -15.578 623 H ARG 74 HN ARG 74 8.735 -8.166 -17.984 624 HA ARG 74 HA ARG 74 11.497 -7.863 -18.431 625 HB2 ARG 74 HB2 ARG 74 11.746 -7.045 -20.713 626 HB3 ARG 74 HB1 ARG 74 11.018 -8.643 -20.775 627 HG2 ARG 74 HG2 ARG 74 8.807 -7.639 -21.209 628 HG3 ARG 74 HG1 ARG 74 9.507 -6.021 -21.102 629 HD2 ARG 74 HD2 ARG 74 11.020 -6.650 -23.033 630 HD3 ARG 74 HD1 ARG 74 10.090 -8.142 -23.195 631 HE ARG 74 HE ARG 74 8.911 -5.438 -23.482 632 HH11 ARG 74 HH11 ARG 74 9.114 -8.774 -24.602 633 HH12 ARG 74 HH12 ARG 74 8.030 -8.512 -25.928 634 HH21 ARG 74 HH21 ARG 74 7.509 -5.117 -25.222 635 HH22 ARG 74 HH22 ARG 74 7.126 -6.437 -26.281 636 H ALA 75 HN ALA 75 11.887 -5.398 -19.499 637 HA ALA 75 HA ALA 75 9.823 -3.551 -18.449 638 HB1 ALA 75 HB1 ALA 75 11.637 -1.903 -18.073 639 HB2 ALA 75 HB2 ALA 75 12.830 -3.095 -18.591 640 HB3 ALA 75 HB3 ALA 75 11.905 -3.363 -17.114 641 H ILE 76 HN ILE 76 9.297 -1.740 -20.154 642 HA ILE 76 HA ILE 76 9.444 -3.141 -22.719 643 HB ILE 76 HB ILE 76 7.446 -1.059 -21.705 644 HG12 ILE 76 HG12 ILE 76 7.301 -3.103 -20.263 645 HG13 ILE 76 HG11 ILE 76 5.840 -2.849 -21.211 646 HG21 ILE 76 HG21 ILE 76 7.578 -1.209 -24.142 647 HG22 ILE 76 HG22 ILE 76 6.027 -1.804 -23.563 648 HG23 ILE 76 HG23 ILE 76 7.267 -2.946 -24.076 649 HD11 ILE 76 HD11 ILE 76 8.009 -4.860 -21.839 650 HD12 ILE 76 HD12 ILE 76 6.519 -4.618 -22.758 651 HD13 ILE 76 HD13 ILE 76 6.444 -5.200 -21.097 652 H THR 77 HN THR 77 10.394 -2.031 -24.407 653 HA THR 77 HA THR 77 11.617 0.537 -24.230 654 HB THR 77 HB THR 77 11.993 0.236 -26.715 655 HG1 THR 77 HG1 THR 77 11.283 -1.844 -27.564 656 HG21 THR 77 HG21 THR 77 12.630 -2.230 -25.049 657 HG22 THR 77 HG22 THR 77 13.612 -0.765 -25.134 658 HG23 THR 77 HG23 THR 77 13.413 -1.787 -26.561 659 H LYS 78 HN LYS 78 11.080 1.951 -26.525 660 HA LYS 78 HA LYS 78 8.530 3.241 -25.754 661 HB2 LYS 78 HB2 LYS 78 11.006 4.305 -27.178 662 HB3 LYS 78 HB1 LYS 78 9.533 5.245 -26.956 663 HG2 LYS 78 HG2 LYS 78 9.836 5.309 -24.573 664 HG3 LYS 78 HG1 LYS 78 11.127 4.112 -24.641 665 HD2 LYS 78 HD2 LYS 78 12.002 6.397 -24.247 666 HD3 LYS 78 HD1 LYS 78 12.620 5.711 -25.747 667 HE2 LYS 78 HE2 LYS 78 10.223 7.562 -25.759 668 HE3 LYS 78 HE1 LYS 78 11.860 8.208 -25.723 669 HZ1 LYS 78 HZ1 LYS 78 10.728 6.446 -27.838 670 HZ2 LYS 78 HZ2 LYS 78 12.317 7.015 -27.793 671 HZ3 LYS 78 HZ3 LYS 78 11.039 8.101 -27.972 672 H LYS 79 HN LYS 79 10.191 1.586 -28.068 673 HA LYS 79 HA LYS 79 8.736 2.191 -30.495 674 HB2 LYS 79 HB2 LYS 79 10.504 -0.165 -29.765 675 HB3 LYS 79 HB1 LYS 79 9.584 -0.155 -31.270 676 HG2 LYS 79 HG2 LYS 79 10.711 2.035 -31.846 677 HG3 LYS 79 HG1 LYS 79 11.760 1.794 -30.442 678 HD2 LYS 79 HD2 LYS 79 12.648 -0.267 -31.406 679 HD3 LYS 79 HD1 LYS 79 11.485 -0.187 -32.733 680 HE2 LYS 79 HE2 LYS 79 12.558 1.928 -33.504 681 HE3 LYS 79 HE1 LYS 79 13.755 1.767 -32.218 682 HZ1 LYS 79 HZ1 LYS 79 13.333 -0.164 -34.437 683 HZ2 LYS 79 HZ2 LYS 79 14.499 -0.298 -33.221 684 HZ3 LYS 79 HZ3 LYS 79 14.589 0.965 -34.341 685 H GLU 80 HN GLU 80 8.383 -0.150 -27.876 686 HA GLU 80 HA GLU 80 6.030 -1.418 -29.002 687 HB2 GLU 80 HB2 GLU 80 7.547 -1.709 -26.390 688 HB3 GLU 80 HB1 GLU 80 6.032 -2.546 -26.693 689 HG2 GLU 80 HG2 GLU 80 8.619 -2.873 -28.242 690 HG3 GLU 80 HG1 GLU 80 7.915 -4.028 -27.110 691 H GLN 81 HN GLN 81 6.861 1.064 -26.556 692 HA GLN 81 HA GLN 81 4.258 1.535 -25.723 693 HB2 GLN 81 HB2 GLN 81 6.663 3.373 -25.758 694 HB3 GLN 81 HB1 GLN 81 5.139 3.809 -24.987 695 HG2 GLN 81 HG2 GLN 81 5.347 2.051 -23.365 696 HG3 GLN 81 HG1 GLN 81 6.685 1.311 -24.244 697 HE21 GLN 81 HE21 GLN 81 8.058 1.394 -22.446 698 HE22 GLN 81 HE22 GLN 81 8.739 2.873 -21.877 699 H ALA 82 HN ALA 82 5.713 2.671 -28.809 700 HA ALA 82 HA ALA 82 4.088 4.866 -29.255 701 HB1 ALA 82 HB1 ALA 82 5.283 2.887 -31.225 702 HB2 ALA 82 HB2 ALA 82 6.116 4.286 -30.544 703 HB3 ALA 82 HB3 ALA 82 4.726 4.518 -31.608 704 H ASP 83 HN ASP 83 3.488 1.417 -29.727 705 HA ASP 83 HA ASP 83 0.668 1.963 -30.461 706 HB2 ASP 83 HB2 ASP 83 2.301 -0.355 -31.581 707 HB3 ASP 83 HB1 ASP 83 0.676 0.123 -32.046 708 H MET 84 HN MET 84 0.258 1.756 -28.206 709 HA MET 84 HA MET 84 1.342 -0.242 -26.573 710 HB2 MET 84 HB2 MET 84 0.594 1.952 -25.746 711 HB3 MET 84 HB1 MET 84 -1.076 1.527 -26.100 712 HG2 MET 84 HG2 MET 84 -0.550 1.356 -23.705 713 HG3 MET 84 HG1 MET 84 -1.062 -0.184 -24.388 714 HE1 MET 84 HE1 MET 84 2.661 1.596 -24.308 715 HE2 MET 84 HE2 MET 84 3.199 0.778 -22.835 716 HE3 MET 84 HE3 MET 84 1.824 1.885 -22.778 717 H GLY 85 HN GLY 85 -1.878 -0.335 -28.424 718 HA2 GLY 85 HA2 GLY 85 -2.839 -2.598 -26.987 719 HA3 GLY 85 HA1 GLY 85 -3.409 -1.955 -28.524 720 H LYS 86 HN LYS 86 -1.706 -2.274 -30.334 721 HA LYS 86 HA LYS 86 -0.833 -4.652 -31.086 722 HB2 LYS 86 HB2 LYS 86 -0.332 -2.577 -32.327 723 HB3 LYS 86 HB1 LYS 86 0.969 -2.212 -31.217 724 HG2 LYS 86 HG2 LYS 86 1.040 -4.740 -32.869 725 HG3 LYS 86 HG1 LYS 86 1.494 -3.200 -33.596 726 HD2 LYS 86 HD2 LYS 86 2.801 -4.482 -31.174 727 HD3 LYS 86 HD1 LYS 86 3.459 -4.465 -32.808 728 HE2 LYS 86 HE2 LYS 86 3.676 -2.021 -32.716 729 HE3 LYS 86 HE1 LYS 86 2.925 -1.996 -31.120 730 HZ1 LYS 86 HZ1 LYS 86 5.298 -1.836 -30.930 731 HZ2 LYS 86 HZ2 LYS 86 5.514 -3.258 -31.809 732 HZ3 LYS 86 HZ3 LYS 86 4.783 -3.314 -30.286 733 H LEU 87 HN LEU 87 0.601 -2.938 -28.529 734 HA LEU 87 HA LEU 87 2.999 -4.609 -28.223 735 HB2 LEU 87 HB2 LEU 87 3.455 -2.483 -27.323 736 HB3 LEU 87 HB1 LEU 87 1.882 -2.353 -26.558 737 HG LEU 87 HG LEU 87 2.563 -4.016 -24.841 738 HD11 LEU 87 HD11 LEU 87 4.917 -4.724 -24.575 739 HD12 LEU 87 HD12 LEU 87 5.305 -3.999 -26.133 740 HD13 LEU 87 HD13 LEU 87 4.194 -5.359 -26.054 741 HD21 LEU 87 HD21 LEU 87 2.847 -1.633 -24.395 742 HD22 LEU 87 HD22 LEU 87 4.483 -1.685 -25.053 743 HD23 LEU 87 HD23 LEU 87 4.087 -2.583 -23.585 744 H LYS 88 HN LYS 88 -0.246 -4.240 -26.562 745 HA LYS 88 HA LYS 88 0.556 -6.206 -24.531 746 HB2 LYS 88 HB2 LYS 88 -1.916 -4.444 -24.764 747 HB3 LYS 88 HB1 LYS 88 -1.589 -5.542 -23.429 748 HG2 LYS 88 HG2 LYS 88 0.416 -4.184 -22.836 749 HG3 LYS 88 HG1 LYS 88 0.010 -3.058 -24.145 750 HD2 LYS 88 HD2 LYS 88 -2.132 -2.529 -23.081 751 HD3 LYS 88 HD1 LYS 88 -1.835 -3.719 -21.812 752 HE2 LYS 88 HE2 LYS 88 0.074 -2.388 -21.015 753 HE3 LYS 88 HE1 LYS 88 -0.205 -1.209 -22.292 754 HZ1 LYS 88 HZ1 LYS 88 -2.403 -0.790 -21.325 755 HZ2 LYS 88 HZ2 LYS 88 -1.151 -0.440 -20.243 756 HZ3 LYS 88 HZ3 LYS 88 -2.047 -1.862 -20.064 757 H LYS 89 HN LYS 89 -0.949 -6.275 -27.599 758 HA LYS 89 HA LYS 89 -3.226 -7.986 -26.818 759 HB2 LYS 89 HB2 LYS 89 -4.091 -7.833 -29.053 760 HB3 LYS 89 HB1 LYS 89 -3.622 -6.201 -28.601 761 HG2 LYS 89 HG2 LYS 89 -1.555 -6.434 -29.965 762 HG3 LYS 89 HG1 LYS 89 -2.057 -8.062 -30.427 763 HD2 LYS 89 HD2 LYS 89 -4.076 -7.124 -31.526 764 HD3 LYS 89 HD1 LYS 89 -3.567 -5.497 -31.067 765 HE2 LYS 89 HE2 LYS 89 -1.496 -5.798 -32.432 766 HE3 LYS 89 HE1 LYS 89 -2.086 -7.381 -32.940 767 HZ1 LYS 89 HZ1 LYS 89 -3.463 -4.807 -33.440 768 HZ2 LYS 89 HZ2 LYS 89 -3.943 -6.323 -34.012 769 HZ3 LYS 89 HZ3 LYS 89 -2.504 -5.621 -34.569 770 H SER 90 HN SER 90 -0.261 -7.997 -28.826 771 HA SER 90 HA SER 90 0.061 -10.713 -29.349 772 HB2 SER 90 HB2 SER 90 2.246 -8.697 -28.664 773 HB3 SER 90 HB1 SER 90 2.420 -10.151 -29.636 774 HG SER 90 HG SER 90 1.776 -7.724 -30.447 775 H VAL 91 HN VAL 91 -0.168 -9.311 -26.253 776 HA VAL 91 HA VAL 91 1.147 -11.637 -24.996 777 HB VAL 91 HB VAL 91 0.162 -9.272 -23.380 778 HG11 VAL 91 HG11 VAL 91 2.591 -11.068 -23.109 779 HG12 VAL 91 HG12 VAL 91 1.074 -11.232 -22.224 780 HG13 VAL 91 HG13 VAL 91 2.097 -9.819 -21.961 781 HG21 VAL 91 HG21 VAL 91 2.718 -9.177 -25.014 782 HG22 VAL 91 HG22 VAL 91 2.326 -8.062 -23.709 783 HG23 VAL 91 HG23 VAL 91 1.327 -8.109 -25.161 784 H ARG 92 HN ARG 92 -1.890 -10.182 -25.704 785 HA ARG 92 HA ARG 92 -4.026 -10.959 -25.595 786 HB2 ARG 92 HB2 ARG 92 -3.353 -13.288 -25.305 787 HB3 ARG 92 HB1 ARG 92 -2.935 -13.003 -23.626 788 HG2 ARG 92 HG2 ARG 92 -5.391 -12.597 -23.176 789 HG3 ARG 92 HG1 ARG 92 -5.709 -13.118 -24.832 790 HD2 ARG 92 HD2 ARG 92 -6.023 -14.929 -23.118 791 HD3 ARG 92 HD1 ARG 92 -4.842 -15.333 -24.369 792 HE ARG 92 HE ARG 92 -3.077 -14.762 -22.751 793 HH11 ARG 92 HH11 ARG 92 -6.250 -15.444 -21.387 794 HH12 ARG 92 HH12 ARG 92 -5.612 -15.918 -19.849 795 HH21 ARG 92 HH21 ARG 92 -2.267 -15.376 -20.755 796 HH22 ARG 92 HH22 ARG 92 -3.337 -15.890 -19.496 797 H GLY 93 HN GLY 93 -2.228 -9.379 -23.453 798 HA2 GLY 93 HA2 GLY 93 -3.583 -7.526 -22.316 799 HA3 GLY 93 HA1 GLY 93 -4.330 -8.855 -21.431 800 H LEU 94 HN LEU 94 -1.274 -7.117 -22.009 801 HA LEU 94 HA LEU 94 0.321 -8.582 -20.170 802 HB2 LEU 94 HB2 LEU 94 1.183 -7.649 -22.206 803 HB3 LEU 94 HB1 LEU 94 0.492 -6.075 -21.895 804 HG LEU 94 HG LEU 94 2.247 -5.708 -20.151 805 HD11 LEU 94 HD11 LEU 94 3.456 -8.302 -21.144 806 HD12 LEU 94 HD12 LEU 94 2.716 -8.043 -19.558 807 HD13 LEU 94 HD13 LEU 94 4.172 -7.160 -19.998 808 HD21 LEU 94 HD21 LEU 94 4.122 -5.406 -21.766 809 HD22 LEU 94 HD22 LEU 94 2.580 -4.834 -22.397 810 HD23 LEU 94 HD23 LEU 94 3.233 -6.379 -22.950 811 H VAL 95 HN VAL 95 1.534 -7.125 -18.586 812 HA VAL 95 HA VAL 95 -0.234 -5.349 -16.988 813 HB VAL 95 HB VAL 95 1.904 -7.174 -15.757 814 HG11 VAL 95 HG11 VAL 95 -0.199 -5.396 -14.458 815 HG12 VAL 95 HG12 VAL 95 1.541 -5.107 -14.492 816 HG13 VAL 95 HG13 VAL 95 0.895 -6.476 -13.590 817 HG21 VAL 95 HG21 VAL 95 -1.117 -7.560 -15.714 818 HG22 VAL 95 HG22 VAL 95 0.056 -8.530 -14.821 819 HG23 VAL 95 HG23 VAL 95 0.046 -8.564 -16.583 820 H VAL 96 HN VAL 96 0.811 -3.358 -16.569 821 HA VAL 96 HA VAL 96 3.617 -3.003 -17.335 822 HB VAL 96 HB VAL 96 1.426 -1.330 -18.665 823 HG11 VAL 96 HG11 VAL 96 3.270 -0.226 -19.919 824 HG12 VAL 96 HG12 VAL 96 4.451 -1.142 -18.969 825 HG13 VAL 96 HG13 VAL 96 3.409 0.042 -18.177 826 HG21 VAL 96 HG21 VAL 96 3.355 -3.322 -19.925 827 HG22 VAL 96 HG22 VAL 96 2.220 -2.296 -20.807 828 HG23 VAL 96 HG23 VAL 96 1.616 -3.545 -19.721 829 H VAL 97 HN VAL 97 4.586 -1.449 -16.092 830 HA VAL 97 HA VAL 97 2.998 0.052 -14.100 831 HB VAL 97 HB VAL 97 5.486 -1.583 -13.372 832 HG11 VAL 97 HG11 VAL 97 5.148 0.391 -11.943 833 HG12 VAL 97 HG12 VAL 97 4.869 -1.087 -11.028 834 HG13 VAL 97 HG13 VAL 97 3.497 -0.124 -11.583 835 HG21 VAL 97 HG21 VAL 97 4.015 -3.165 -12.162 836 HG22 VAL 97 HG22 VAL 97 3.636 -3.151 -13.883 837 HG23 VAL 97 HG23 VAL 97 2.587 -2.305 -12.746 838 H HIS 98 HN HIS 98 3.798 2.145 -13.828 839 HA HIS 98 HA HIS 98 5.974 2.938 -15.663 840 HB2 HIS 98 HB2 HIS 98 3.708 3.989 -15.850 841 HB3 HIS 98 HB1 HIS 98 3.864 4.598 -14.211 842 HD2 HIS 98 HD2 HIS 98 5.060 5.392 -17.811 843 HE1 HIS 98 HE1 HIS 98 6.441 8.444 -15.244 844 HE2 HIS 98 HE2 HIS 98 6.336 7.633 -17.633 845 HA PRO 99 HA PRO 99 8.893 3.641 -12.277 846 HB2 PRO 99 HB2 PRO 99 10.306 5.828 -13.281 847 HB3 PRO 99 HB1 PRO 99 10.574 4.153 -13.765 848 HG2 PRO 99 HG2 PRO 99 8.913 6.267 -15.121 849 HG3 PRO 99 HG1 PRO 99 10.074 5.122 -15.836 850 HD2 PRO 99 HD2 PRO 99 7.450 4.647 -15.979 851 HD3 PRO 99 HD1 PRO 99 8.581 3.312 -15.665 852 H MET 100 HN MET 100 7.372 6.639 -13.529 853 HA MET 100 HA MET 100 7.973 8.028 -11.017 854 HB2 MET 100 HB2 MET 100 6.824 9.115 -13.615 855 HB3 MET 100 HB1 MET 100 7.300 10.087 -12.222 856 HG2 MET 100 HG2 MET 100 9.625 9.220 -12.482 857 HG3 MET 100 HG1 MET 100 9.123 8.411 -13.963 858 HE1 MET 100 HE1 MET 100 8.402 9.671 -16.191 859 HE2 MET 100 HE2 MET 100 8.250 11.426 -16.313 860 HE3 MET 100 HE3 MET 100 7.129 10.512 -15.303 861 H THR 101 HN THR 101 5.401 6.264 -12.207 862 HA THR 101 HA THR 101 3.398 7.492 -10.470 863 HB THR 101 HB THR 101 2.065 5.431 -10.875 864 HG1 THR 101 HG1 THR 101 4.482 4.452 -11.635 865 HG21 THR 101 HG21 THR 101 1.771 5.611 -13.338 866 HG22 THR 101 HG22 THR 101 3.240 6.586 -13.428 867 HG23 THR 101 HG23 THR 101 1.831 7.197 -12.556 868 H ALA 102 HN ALA 102 2.645 6.445 -8.510 869 HA ALA 102 HA ALA 102 4.648 6.163 -6.642 870 HB1 ALA 102 HB1 ALA 102 2.882 5.537 -5.053 871 HB2 ALA 102 HB2 ALA 102 1.775 5.221 -6.391 872 HB3 ALA 102 HB3 ALA 102 2.359 6.858 -6.097 873 H LEU 103 HN LEU 103 2.956 3.617 -8.277 874 HA LEU 103 HA LEU 103 3.557 1.421 -6.463 875 HB2 LEU 103 HB2 LEU 103 1.657 1.259 -8.118 876 HB3 LEU 103 HB1 LEU 103 2.843 1.116 -9.404 877 HG LEU 103 HG LEU 103 3.692 -1.008 -8.389 878 HD11 LEU 103 HD11 LEU 103 1.426 -0.704 -6.389 879 HD12 LEU 103 HD12 LEU 103 3.150 -0.584 -6.034 880 HD13 LEU 103 HD13 LEU 103 2.468 -2.114 -6.569 881 HD21 LEU 103 HD21 LEU 103 1.740 -2.467 -8.914 882 HD22 LEU 103 HD22 LEU 103 1.997 -1.221 -10.136 883 HD23 LEU 103 HD23 LEU 103 0.700 -1.038 -8.954 884 H GLY 104 HN GLY 104 4.974 2.438 -9.645 885 HA2 GLY 104 HA2 GLY 104 7.267 0.789 -9.547 886 HA3 GLY 104 HA1 GLY 104 7.075 2.243 -10.510 887 H ARG 105 HN ARG 105 6.894 4.166 -8.782 888 HA ARG 105 HA ARG 105 9.355 4.946 -7.821 889 HB2 ARG 105 HB2 ARG 105 6.662 5.715 -6.634 890 HB3 ARG 105 HB1 ARG 105 8.169 6.380 -6.016 891 HG2 ARG 105 HG2 ARG 105 8.631 7.242 -8.352 892 HG3 ARG 105 HG1 ARG 105 6.989 6.759 -8.777 893 HD2 ARG 105 HD2 ARG 105 6.057 8.268 -7.123 894 HD3 ARG 105 HD1 ARG 105 7.664 8.684 -6.519 895 HE ARG 105 HE ARG 105 6.346 9.682 -8.895 896 HH11 ARG 105 HH11 ARG 105 9.467 9.337 -7.300 897 HH12 ARG 105 HH12 ARG 105 10.200 10.608 -8.224 898 HH21 ARG 105 HH21 ARG 105 7.342 11.351 -10.081 899 HH22 ARG 105 HH22 ARG 105 9.007 11.741 -9.785 900 H GLU 106 HN GLU 106 7.002 2.916 -6.070 901 HA GLU 106 HA GLU 106 8.602 2.886 -3.660 902 HB2 GLU 106 HB2 GLU 106 5.919 2.919 -3.993 903 HB3 GLU 106 HB1 GLU 106 6.145 1.179 -4.000 904 HG2 GLU 106 HG2 GLU 106 5.576 1.931 -1.771 905 HG3 GLU 106 HG1 GLU 106 7.229 1.308 -1.782 906 H MET 107 HN MET 107 7.904 0.772 -6.403 907 HA MET 107 HA MET 107 8.834 -1.683 -5.041 908 HB2 MET 107 HB2 MET 107 7.638 -1.237 -7.805 909 HB3 MET 107 HB1 MET 107 8.497 -2.717 -7.431 910 HG2 MET 107 HG2 MET 107 6.844 -3.272 -5.705 911 HG3 MET 107 HG1 MET 107 6.002 -1.754 -5.998 912 HE1 MET 107 HE1 MET 107 6.177 -5.180 -9.130 913 HE2 MET 107 HE2 MET 107 6.968 -5.272 -7.553 914 HE3 MET 107 HE3 MET 107 7.577 -4.161 -8.783 915 H GLY 108 HN GLY 108 10.109 1.009 -6.588 916 HA2 GLY 108 HA2 GLY 108 12.430 1.448 -6.499 917 HA3 GLY 108 HA1 GLY 108 12.764 -0.255 -6.745 918 H LEU 109 HN LEU 109 10.380 0.549 -8.875 919 HA LEU 109 HA LEU 109 12.055 0.118 -11.127 920 HB2 LEU 109 HB2 LEU 109 9.179 1.094 -11.213 921 HB3 LEU 109 HB1 LEU 109 10.036 0.167 -12.434 922 HG LEU 109 HG LEU 109 9.115 -0.857 -9.714 923 HD11 LEU 109 HD11 LEU 109 8.144 -1.592 -12.491 924 HD12 LEU 109 HD12 LEU 109 7.278 -0.597 -11.320 925 HD13 LEU 109 HD13 LEU 109 7.589 -2.294 -10.969 926 HD21 LEU 109 HD21 LEU 109 10.594 -2.384 -11.883 927 HD22 LEU 109 HD22 LEU 109 9.884 -3.086 -10.427 928 HD23 LEU 109 HD23 LEU 109 11.223 -1.951 -10.290 929 H GLU 110 HN GLU 110 13.349 1.628 -11.921 930 HA GLU 110 HA GLU 110 12.534 4.477 -12.185 931 HB2 GLU 110 HB2 GLU 110 14.971 4.857 -12.611 932 HB3 GLU 110 HB1 GLU 110 14.651 4.137 -11.036 933 HG2 GLU 110 HG2 GLU 110 15.141 1.860 -12.197 934 HG3 GLU 110 HG1 GLU 110 15.840 2.836 -13.489 935 H GLU 111 HN GLU 111 11.900 1.930 -13.807 936 HA GLU 111 HA GLU 111 12.027 3.180 -16.461 937 HB2 GLU 111 HB2 GLU 111 12.980 1.138 -17.507 938 HB3 GLU 111 HB1 GLU 111 14.100 1.864 -16.359 939 HG2 GLU 111 HG2 GLU 111 13.201 0.142 -14.653 940 HG3 GLU 111 HG1 GLU 111 12.479 -0.670 -16.041 941 H MET 112 HN MET 112 10.337 2.414 -17.874 942 HA MET 112 HA MET 112 7.980 1.480 -16.617 943 HB2 MET 112 HB2 MET 112 7.722 2.867 -18.586 944 HB3 MET 112 HB1 MET 112 8.726 1.787 -19.550 945 HG2 MET 112 HG2 MET 112 7.029 0.170 -19.745 946 HG3 MET 112 HG1 MET 112 6.143 0.789 -18.360 947 HE1 MET 112 HE1 MET 112 4.255 2.486 -18.474 948 HE2 MET 112 HE2 MET 112 4.129 3.728 -19.717 949 HE3 MET 112 HE3 MET 112 5.528 3.695 -18.648 950 H THR 113 HN THR 113 7.581 -0.407 -16.107 951 HA THR 113 HA THR 113 9.066 -2.761 -17.146 952 HB THR 113 HB THR 113 7.602 -2.674 -14.472 953 HG1 THR 113 HG1 THR 113 9.442 -1.065 -14.899 954 HG21 THR 113 HG21 THR 113 9.170 -4.485 -13.864 955 HG22 THR 113 HG22 THR 113 9.904 -4.408 -15.467 956 HG23 THR 113 HG23 THR 113 8.228 -4.939 -15.285 957 H GLY 114 HN GLY 114 7.892 -4.589 -18.071 958 HA2 GLY 114 HA2 GLY 114 5.047 -4.781 -17.333 959 HA3 GLY 114 HA1 GLY 114 5.727 -5.251 -18.884 960 H PHE 115 HN PHE 115 4.170 -7.107 -17.755 961 HA PHE 115 HA PHE 115 5.814 -9.281 -16.869 962 HB2 PHE 115 HB2 PHE 115 3.706 -8.091 -14.983 963 HB3 PHE 115 HB1 PHE 115 4.482 -9.640 -14.755 964 HD1 PHE 115 HD1 PHE 115 6.969 -9.700 -14.217 965 HD2 PHE 115 HD2 PHE 115 4.692 -6.087 -14.173 966 HE1 PHE 115 HE1 PHE 115 8.669 -8.646 -12.789 967 HE2 PHE 115 HE2 PHE 115 6.397 -5.034 -12.735 968 HZ PHE 115 HZ PHE 115 8.388 -6.314 -12.042 969 H SER 116 HN SER 116 4.611 -11.092 -18.026 970 HA SER 116 HA SER 116 1.804 -11.221 -17.187 971 HB2 SER 116 HB2 SER 116 2.067 -10.350 -19.524 972 HB3 SER 116 HB1 SER 116 2.911 -11.830 -19.964 973 HG SER 116 HG SER 116 0.202 -11.377 -19.518 974 H LYS 117 HN LYS 117 0.827 -13.325 -17.687 975 HA LYS 117 HA LYS 117 2.397 -15.681 -16.997 976 HB2 LYS 117 HB2 LYS 117 -0.558 -15.163 -17.516 977 HB3 LYS 117 HB1 LYS 117 0.070 -16.775 -17.216 978 HG2 LYS 117 HG2 LYS 117 0.475 -14.512 -15.241 979 HG3 LYS 117 HG1 LYS 117 -0.976 -15.511 -15.224 980 HD2 LYS 117 HD2 LYS 117 1.871 -16.554 -14.931 981 HD3 LYS 117 HD1 LYS 117 0.747 -16.281 -13.594 982 HE2 LYS 117 HE2 LYS 117 -0.816 -17.954 -14.655 983 HE3 LYS 117 HE1 LYS 117 0.424 -18.284 -15.863 984 HZ1 LYS 117 HZ1 LYS 117 1.899 -19.013 -14.070 985 HZ2 LYS 117 HZ2 LYS 117 0.472 -19.921 -14.110 986 HZ3 LYS 117 HZ3 LYS 117 0.676 -18.725 -12.934 987 H THR 118 HN THR 118 1.772 -13.984 -19.772 988 HA THR 118 HA THR 118 1.621 -16.319 -21.579 989 HB THR 118 HB THR 118 0.478 -13.682 -22.509 990 HG1 THR 118 HG1 THR 118 -0.549 -13.562 -20.616 991 HG21 THR 118 HG21 THR 118 0.341 -15.750 -23.905 992 HG22 THR 118 HG22 THR 118 -1.252 -15.107 -23.498 993 HG23 THR 118 HG23 THR 118 -0.625 -16.514 -22.637 994 H THR 119 HN THR 119 2.734 -16.024 -23.612 995 HA THR 119 HA THR 119 5.275 -14.752 -23.223 996 HB THR 119 HB THR 119 5.048 -16.994 -24.290 997 HG1 THR 119 HG1 THR 119 6.916 -15.682 -24.636 998 HG21 THR 119 HG21 THR 119 4.007 -15.487 -26.720 999 HG22 THR 119 HG22 THR 119 3.063 -16.596 -25.727 1000 HG23 THR 119 HG23 THR 119 4.429 -17.196 -26.666 1001 H PHE 120 HN PHE 120 6.310 -13.257 -24.621 1002 HA PHE 120 HA PHE 120 5.015 -11.778 -26.664 1003 HB2 PHE 120 HB2 PHE 120 4.894 -9.572 -25.569 1004 HB3 PHE 120 HB1 PHE 120 3.810 -10.726 -24.822 1005 HD1 PHE 120 HD2 PHE 120 5.008 -12.029 -22.690 1006 HD2 PHE 120 HD1 PHE 120 5.945 -8.100 -24.092 1007 HE1 PHE 120 HE2 PHE 120 5.852 -11.429 -20.465 1008 HE2 PHE 120 HE1 PHE 120 6.781 -7.510 -21.859 1009 HZ PHE 120 HZ PHE 120 6.734 -9.170 -20.043 Start of MODEL 4 1 H MET 1 HT1 MET 1 -16.218 -5.076 -3.864 2 HA MET 1 HA MET 1 -17.199 -7.721 -2.955 3 HB2 MET 1 HB2 MET 1 -14.515 -6.914 -4.172 4 HB3 MET 1 HB1 MET 1 -14.920 -8.520 -3.571 5 HG2 MET 1 HG2 MET 1 -16.702 -8.677 -5.310 6 HG3 MET 1 HG1 MET 1 -16.166 -7.122 -5.953 7 HE1 MET 1 HE1 MET 1 -16.370 -9.703 -7.811 8 HE2 MET 1 HE2 MET 1 -14.831 -9.662 -8.667 9 HE3 MET 1 HE3 MET 1 -15.736 -8.171 -8.420 10 H LYS 2 HN LYS 2 -14.910 -8.479 -1.584 11 HA LYS 2 HA LYS 2 -15.045 -6.887 0.830 12 HB2 LYS 2 HB2 LYS 2 -13.342 -9.315 0.132 13 HB3 LYS 2 HB1 LYS 2 -13.508 -8.621 1.744 14 HG2 LYS 2 HG2 LYS 2 -15.892 -9.205 1.783 15 HG3 LYS 2 HG1 LYS 2 -15.784 -9.835 0.136 16 HD2 LYS 2 HD2 LYS 2 -14.287 -10.937 2.548 17 HD3 LYS 2 HD1 LYS 2 -15.747 -11.642 1.842 18 HE2 LYS 2 HE2 LYS 2 -14.486 -11.970 -0.308 19 HE3 LYS 2 HE1 LYS 2 -13.029 -11.384 0.496 20 HZ1 LYS 2 HZ1 LYS 2 -13.032 -13.755 0.491 21 HZ2 LYS 2 HZ2 LYS 2 -14.577 -13.820 1.166 22 HZ3 LYS 2 HZ3 LYS 2 -13.286 -13.242 2.086 23 H GLU 3 HN GLU 3 -13.414 -5.609 1.718 24 HA GLU 3 HA GLU 3 -10.862 -5.160 0.456 25 HB2 GLU 3 HB2 GLU 3 -11.255 -2.877 -0.401 26 HB3 GLU 3 HB1 GLU 3 -12.274 -4.047 -1.236 27 HG2 GLU 3 HG2 GLU 3 -14.216 -3.353 0.111 28 HG3 GLU 3 HG1 GLU 3 -13.202 -2.234 1.022 29 H VAL 4 HN VAL 4 -12.429 -5.288 3.198 30 HA VAL 4 HA VAL 4 -12.053 -2.761 4.504 31 HB VAL 4 HB VAL 4 -12.364 -5.458 5.903 32 HG11 VAL 4 HG11 VAL 4 -13.526 -4.172 7.659 33 HG12 VAL 4 HG12 VAL 4 -13.281 -2.681 6.746 34 HG13 VAL 4 HG13 VAL 4 -11.895 -3.552 7.400 35 HG21 VAL 4 HG21 VAL 4 -14.613 -3.746 4.768 36 HG22 VAL 4 HG22 VAL 4 -14.817 -5.186 5.765 37 HG23 VAL 4 HG23 VAL 4 -14.104 -5.323 4.161 38 H GLU 5 HN GLU 5 -9.914 -5.146 3.678 39 HA GLU 5 HA GLU 5 -7.927 -5.420 5.585 40 HB2 GLU 5 HB2 GLU 5 -7.641 -5.192 2.569 41 HB3 GLU 5 HB1 GLU 5 -6.236 -5.475 3.588 42 HG2 GLU 5 HG2 GLU 5 -7.082 -7.548 2.601 43 HG3 GLU 5 HG1 GLU 5 -7.147 -7.586 4.360 44 H LYS 6 HN LYS 6 -7.972 -2.804 3.135 45 HA LYS 6 HA LYS 6 -5.855 -1.269 4.145 46 HB2 LYS 6 HB2 LYS 6 -7.021 0.707 2.961 47 HB3 LYS 6 HB1 LYS 6 -6.565 -0.680 1.992 48 HG2 LYS 6 HG2 LYS 6 -8.686 -0.029 1.201 49 HG3 LYS 6 HG1 LYS 6 -8.960 -1.478 2.161 50 HD2 LYS 6 HD2 LYS 6 -9.755 -0.056 4.044 51 HD3 LYS 6 HD1 LYS 6 -9.505 1.383 3.052 52 HE2 LYS 6 HE2 LYS 6 -11.446 -0.883 2.483 53 HE3 LYS 6 HE1 LYS 6 -11.865 0.731 3.057 54 HZ1 LYS 6 HZ1 LYS 6 -11.079 1.652 0.986 55 HZ2 LYS 6 HZ2 LYS 6 -12.233 0.457 0.676 56 HZ3 LYS 6 HZ3 LYS 6 -10.593 0.127 0.445 57 H ASN 7 HN ASN 7 -9.163 -1.425 5.372 58 HA ASN 7 HA ASN 7 -8.951 0.835 7.161 59 HB2 ASN 7 HB2 ASN 7 -11.152 -0.113 6.427 60 HB3 ASN 7 HB1 ASN 7 -10.804 -1.572 7.344 61 HD21 ASN 7 HD21 ASN 7 -12.490 -1.435 8.754 62 HD22 ASN 7 HD22 ASN 7 -12.690 -0.179 9.920 63 H GLU 8 HN GLU 8 -8.351 -2.629 7.394 64 HA GLU 8 HA GLU 8 -7.654 -2.775 10.136 65 HB2 GLU 8 HB2 GLU 8 -7.029 -4.544 7.771 66 HB3 GLU 8 HB1 GLU 8 -6.160 -4.813 9.272 67 HG2 GLU 8 HG2 GLU 8 -7.999 -6.326 9.201 68 HG3 GLU 8 HG1 GLU 8 -8.317 -5.126 10.448 69 H ILE 9 HN ILE 9 -5.541 -2.233 7.246 70 HA ILE 9 HA ILE 9 -3.167 -1.860 8.642 71 HB ILE 9 HB ILE 9 -4.003 -0.630 5.976 72 HG12 ILE 9 HG12 ILE 9 -4.242 -3.100 5.939 73 HG13 ILE 9 HG11 ILE 9 -2.917 -2.591 4.906 74 HG21 ILE 9 HG21 ILE 9 -2.004 0.484 6.848 75 HG22 ILE 9 HG22 ILE 9 -1.567 -0.516 5.465 76 HG23 ILE 9 HG23 ILE 9 -1.205 -1.069 7.100 77 HD11 ILE 9 HD11 ILE 9 -2.347 -4.603 6.127 78 HD12 ILE 9 HD12 ILE 9 -2.656 -3.806 7.666 79 HD13 ILE 9 HD13 ILE 9 -1.303 -3.282 6.653 80 H LYS 10 HN LYS 10 -5.758 0.421 7.811 81 HA LYS 10 HA LYS 10 -4.520 2.823 8.696 82 HB2 LYS 10 HB2 LYS 10 -6.629 2.668 7.300 83 HB3 LYS 10 HB1 LYS 10 -7.504 2.160 8.734 84 HG2 LYS 10 HG2 LYS 10 -6.057 4.823 8.591 85 HG3 LYS 10 HG1 LYS 10 -7.699 4.625 7.992 86 HD2 LYS 10 HD2 LYS 10 -8.466 4.012 10.252 87 HD3 LYS 10 HD1 LYS 10 -6.816 4.134 10.863 88 HE2 LYS 10 HE2 LYS 10 -6.806 6.556 10.248 89 HE3 LYS 10 HE1 LYS 10 -8.492 6.411 9.749 90 HZ1 LYS 10 HZ1 LYS 10 -8.375 7.292 11.952 91 HZ2 LYS 10 HZ2 LYS 10 -7.414 6.012 12.489 92 HZ3 LYS 10 HZ3 LYS 10 -9.020 5.731 12.043 93 H ARG 11 HN ARG 11 -6.763 0.683 10.280 94 HA ARG 11 HA ARG 11 -6.905 1.514 12.851 95 HB2 ARG 11 HB2 ARG 11 -8.110 -0.462 12.015 96 HB3 ARG 11 HB1 ARG 11 -6.610 -1.383 11.977 97 HG2 ARG 11 HG2 ARG 11 -6.429 -1.296 14.414 98 HG3 ARG 11 HG1 ARG 11 -7.865 -0.268 14.507 99 HD2 ARG 11 HD2 ARG 11 -7.828 -3.126 13.452 100 HD3 ARG 11 HD1 ARG 11 -8.395 -2.624 15.047 101 HE ARG 11 HE ARG 11 -10.106 -1.258 13.858 102 HH11 ARG 11 HH11 ARG 11 -8.846 -4.145 12.317 103 HH12 ARG 11 HH12 ARG 11 -10.195 -4.306 11.242 104 HH21 ARG 11 HH21 ARG 11 -11.894 -1.511 12.465 105 HH22 ARG 11 HH22 ARG 11 -11.932 -2.840 11.349 106 H LEU 12 HN LEU 12 -4.339 -0.838 11.837 107 HA LEU 12 HA LEU 12 -2.969 -0.651 14.314 108 HB2 LEU 12 HB2 LEU 12 -1.149 -1.940 13.205 109 HB3 LEU 12 HB1 LEU 12 -2.740 -2.649 13.070 110 HG LEU 12 HG LEU 12 -2.695 -1.415 10.674 111 HD11 LEU 12 HD11 LEU 12 -0.503 -1.512 9.599 112 HD12 LEU 12 HD12 LEU 12 0.253 -1.932 11.139 113 HD13 LEU 12 HD13 LEU 12 -0.512 -0.355 10.930 114 HD21 LEU 12 HD21 LEU 12 -1.343 -4.082 11.194 115 HD22 LEU 12 HD22 LEU 12 -1.980 -3.524 9.642 116 HD23 LEU 12 HD23 LEU 12 -3.076 -3.805 10.991 117 H SER 13 HN SER 13 -2.324 1.018 11.183 118 HA SER 13 HA SER 13 -0.196 2.603 11.849 119 HB2 SER 13 HB2 SER 13 -2.696 3.509 10.360 120 HB3 SER 13 HB1 SER 13 -1.138 4.351 10.340 121 HG SER 13 HG SER 13 -1.940 2.355 8.803 122 H ASP 14 HN ASP 14 -3.621 3.595 12.456 123 HA ASP 14 HA ASP 14 -3.273 5.810 14.014 124 HB2 ASP 14 HB2 ASP 14 -5.392 4.792 12.952 125 HB3 ASP 14 HB1 ASP 14 -5.495 3.747 14.359 126 H ARG 15 HN ARG 15 -2.977 2.472 14.892 127 HA ARG 15 HA ARG 15 -3.255 2.763 17.771 128 HB2 ARG 15 HB2 ARG 15 -3.601 0.553 16.572 129 HB3 ARG 15 HB1 ARG 15 -1.861 0.475 16.292 130 HG2 ARG 15 HG2 ARG 15 -2.464 -0.924 18.184 131 HG3 ARG 15 HG1 ARG 15 -1.454 0.419 18.719 132 HD2 ARG 15 HD2 ARG 15 -3.476 1.604 19.523 133 HD3 ARG 15 HD1 ARG 15 -4.473 0.238 19.002 134 HE ARG 15 HE ARG 15 -2.462 -0.715 20.718 135 HH11 ARG 15 HH11 ARG 15 -5.395 1.217 20.933 136 HH12 ARG 15 HH12 ARG 15 -5.677 0.810 22.594 137 HH21 ARG 15 HH21 ARG 15 -2.852 -1.224 22.897 138 HH22 ARG 15 HH22 ARG 15 -4.250 -0.579 23.698 139 H LEU 16 HN LEU 16 -0.420 2.114 15.669 140 HA LEU 16 HA LEU 16 1.506 2.424 17.730 141 HB2 LEU 16 HB2 LEU 16 1.639 1.094 15.497 142 HB3 LEU 16 HB1 LEU 16 2.042 2.618 14.740 143 HG LEU 16 HG LEU 16 4.012 1.094 15.245 144 HD11 LEU 16 HD11 LEU 16 5.551 2.800 16.035 145 HD12 LEU 16 HD12 LEU 16 4.200 3.804 16.568 146 HD13 LEU 16 HD13 LEU 16 4.422 3.460 14.852 147 HD21 LEU 16 HD21 LEU 16 4.867 0.912 17.520 148 HD22 LEU 16 HD22 LEU 16 3.256 0.215 17.402 149 HD23 LEU 16 HD23 LEU 16 3.474 1.802 18.143 150 H ASP 17 HN ASP 17 0.239 4.689 15.188 151 HA ASP 17 HA ASP 17 1.933 6.827 15.623 152 HB2 ASP 17 HB2 ASP 17 0.382 6.663 13.712 153 HB3 ASP 17 HB1 ASP 17 -0.995 6.839 14.791 154 H ALA 18 HN ALA 18 -1.384 6.437 17.038 155 HA ALA 18 HA ALA 18 -1.347 8.224 19.043 156 HB1 ALA 18 HB1 ALA 18 -3.213 6.675 18.635 157 HB2 ALA 18 HB2 ALA 18 -2.801 6.747 20.347 158 HB3 ALA 18 HB3 ALA 18 -2.293 5.365 19.376 159 H ILE 19 HN ILE 19 0.560 5.251 18.994 160 HA ILE 19 HA ILE 19 1.352 5.442 21.774 161 HB ILE 19 HB ILE 19 2.385 3.631 19.563 162 HG12 ILE 19 HG12 ILE 19 0.669 3.130 22.045 163 HG13 ILE 19 HG11 ILE 19 0.103 3.126 20.378 164 HG21 ILE 19 HG21 ILE 19 4.266 4.035 21.117 165 HG22 ILE 19 HG22 ILE 19 3.667 2.389 21.294 166 HG23 ILE 19 HG23 ILE 19 3.241 3.613 22.491 167 HD11 ILE 19 HD11 ILE 19 1.978 1.136 21.643 168 HD12 ILE 19 HD12 ILE 19 1.485 1.131 19.948 169 HD13 ILE 19 HD13 ILE 19 0.287 0.886 21.218 170 H ARG 20 HN ARG 20 3.114 6.221 18.652 171 HA ARG 20 HA ARG 20 5.404 7.190 19.966 172 HB2 ARG 20 HB2 ARG 20 5.993 8.215 17.743 173 HB3 ARG 20 HB1 ARG 20 5.651 6.496 17.698 174 HG2 ARG 20 HG2 ARG 20 4.214 6.866 16.011 175 HG3 ARG 20 HG1 ARG 20 3.176 7.730 17.132 176 HD2 ARG 20 HD2 ARG 20 5.350 8.975 15.416 177 HD3 ARG 20 HD1 ARG 20 3.618 9.029 15.087 178 HE ARG 20 HE ARG 20 4.956 10.351 17.383 179 HH11 ARG 20 HH11 ARG 20 2.248 10.282 15.133 180 HH12 ARG 20 HH12 ARG 20 1.748 11.898 15.522 181 HH21 ARG 20 HH21 ARG 20 4.267 12.446 17.874 182 HH22 ARG 20 HH22 ARG 20 2.875 13.115 17.075 183 H HIS 21 HN HIS 21 2.401 9.056 18.906 184 HA HIS 21 HA HIS 21 3.244 11.546 19.716 185 HB2 HIS 21 HB2 HIS 21 1.093 10.886 18.498 186 HB3 HIS 21 HB1 HIS 21 0.452 10.350 20.040 187 HD1 HIS 21 HD1 HIS 21 0.734 12.520 21.960 188 HD2 HIS 21 HD2 HIS 21 0.143 13.365 17.929 189 HE1 HIS 21 HE1 HIS 21 -0.166 14.851 21.886 190 HE2 HIS 21 HE2 HIS 21 -0.385 15.390 19.446 191 H GLN 22 HN GLN 22 1.690 8.978 21.454 192 HA GLN 22 HA GLN 22 1.330 10.086 23.999 193 HB2 GLN 22 HB2 GLN 22 0.330 7.977 23.434 194 HB3 GLN 22 HB1 GLN 22 1.888 7.234 23.110 195 HG2 GLN 22 HG2 GLN 22 2.431 7.375 25.506 196 HG3 GLN 22 HG1 GLN 22 0.836 8.071 25.821 197 HE21 GLN 22 HE21 GLN 22 1.582 5.452 23.533 198 HE22 GLN 22 HE22 GLN 22 0.698 4.226 24.363 199 H GLN 23 HN GLN 23 4.155 8.383 22.615 200 HA GLN 23 HA GLN 23 5.757 8.687 24.994 201 HB2 GLN 23 HB2 GLN 23 6.446 7.746 22.186 202 HB3 GLN 23 HB1 GLN 23 7.551 7.696 23.560 203 HG2 GLN 23 HG2 GLN 23 5.934 6.209 24.744 204 HG3 GLN 23 HG1 GLN 23 4.948 6.184 23.281 205 HE21 GLN 23 HE21 GLN 23 7.924 5.083 24.738 206 HE22 GLN 23 HE22 GLN 23 8.320 3.926 23.520 207 H ALA 24 HN ALA 24 5.260 10.569 22.038 208 HA ALA 24 HA ALA 24 7.433 12.300 22.282 209 HB1 ALA 24 HB1 ALA 24 6.075 13.973 21.102 210 HB2 ALA 24 HB2 ALA 24 4.617 13.027 21.414 211 HB3 ALA 24 HB3 ALA 24 5.884 12.378 20.373 212 H ASP 25 HN ASP 25 4.100 12.734 23.758 213 HA ASP 25 HA ASP 25 4.749 14.751 25.537 214 HB2 ASP 25 HB2 ASP 25 2.788 12.442 25.960 215 HB3 ASP 25 HB1 ASP 25 2.765 13.982 26.810 216 H LEU 26 HN LEU 26 5.218 11.246 25.816 217 HA LEU 26 HA LEU 26 5.996 11.530 28.656 218 HB2 LEU 26 HB2 LEU 26 5.546 8.955 27.107 219 HB3 LEU 26 HB1 LEU 26 5.760 9.114 28.845 220 HG LEU 26 HG LEU 26 3.385 10.040 27.202 221 HD11 LEU 26 HD11 LEU 26 3.333 7.681 27.667 222 HD12 LEU 26 HD12 LEU 26 2.069 8.506 28.576 223 HD13 LEU 26 HD13 LEU 26 3.542 7.977 29.396 224 HD21 LEU 26 HD21 LEU 26 3.811 11.761 28.891 225 HD22 LEU 26 HD22 LEU 26 3.827 10.538 30.166 226 HD23 LEU 26 HD23 LEU 26 2.344 10.863 29.267 227 H SER 27 HN SER 27 8.030 11.967 28.974 228 HA SER 27 HA SER 27 10.133 11.120 27.138 229 HB2 SER 27 HB2 SER 27 10.125 13.456 28.076 230 HB3 SER 27 HB1 SER 27 10.352 12.774 29.687 231 HG SER 27 HG SER 27 12.157 13.081 27.616 232 H LEU 28 HN LEU 28 12.139 10.235 28.018 233 HA LEU 28 HA LEU 28 11.897 8.048 29.829 234 HB2 LEU 28 HB2 LEU 28 13.517 8.201 27.918 235 HB3 LEU 28 HB1 LEU 28 14.376 9.471 28.761 236 HG LEU 28 HG LEU 28 15.385 7.085 28.773 237 HD11 LEU 28 HD11 LEU 28 16.254 8.889 30.202 238 HD12 LEU 28 HD12 LEU 28 16.370 7.312 30.973 239 HD13 LEU 28 HD13 LEU 28 15.106 8.440 31.465 240 HD21 LEU 28 HD21 LEU 28 14.601 5.552 30.523 241 HD22 LEU 28 HD22 LEU 28 13.347 5.840 29.319 242 HD23 LEU 28 HD23 LEU 28 13.258 6.641 30.892 243 H VAL 29 HN VAL 29 12.834 11.427 30.086 244 HA VAL 29 HA VAL 29 14.030 11.278 32.689 245 HB VAL 29 HB VAL 29 12.922 13.743 31.252 246 HG11 VAL 29 HG11 VAL 29 14.509 15.037 32.656 247 HG12 VAL 29 HG12 VAL 29 14.962 13.555 33.502 248 HG13 VAL 29 HG13 VAL 29 13.319 14.178 33.638 249 HG21 VAL 29 HG21 VAL 29 14.566 12.580 29.842 250 HG22 VAL 29 HG22 VAL 29 15.734 12.579 31.168 251 HG23 VAL 29 HG23 VAL 29 15.229 14.106 30.435 252 H GLU 30 HN GLU 30 10.807 12.318 31.507 253 HA GLU 30 HA GLU 30 9.933 13.026 34.192 254 HB2 GLU 30 HB2 GLU 30 7.908 13.867 33.175 255 HB3 GLU 30 HB1 GLU 30 9.278 14.399 32.211 256 HG2 GLU 30 HG2 GLU 30 8.789 12.513 30.616 257 HG3 GLU 30 HG1 GLU 30 7.332 12.179 31.546 258 H ALA 31 HN ALA 31 9.382 10.382 31.894 259 HA ALA 31 HA ALA 31 7.932 8.866 33.988 260 HB1 ALA 31 HB1 ALA 31 6.226 9.817 32.458 261 HB2 ALA 31 HB2 ALA 31 6.300 8.060 32.329 262 HB3 ALA 31 HB3 ALA 31 7.034 9.067 31.079 263 H ALA 32 HN ALA 32 10.136 8.058 34.205 264 HA ALA 32 HA ALA 32 11.769 6.922 32.279 265 HB1 ALA 32 HB1 ALA 32 11.546 6.104 35.192 266 HB2 ALA 32 HB2 ALA 32 12.507 7.449 34.574 267 HB3 ALA 32 HB3 ALA 32 12.925 5.792 34.135 268 H ASP 33 HN ASP 33 9.585 5.209 34.430 269 HA ASP 33 HA ASP 33 9.935 2.631 33.263 270 HB2 ASP 33 HB2 ASP 33 9.186 2.932 35.628 271 HB3 ASP 33 HB1 ASP 33 7.638 3.543 35.048 272 H LYS 34 HN LYS 34 6.994 4.739 33.256 273 HA LYS 34 HA LYS 34 5.394 3.372 31.540 274 HB2 LYS 34 HB2 LYS 34 4.715 5.409 32.766 275 HB3 LYS 34 HB1 LYS 34 5.701 6.397 31.697 276 HG2 LYS 34 HG2 LYS 34 3.344 6.583 31.091 277 HG3 LYS 34 HG1 LYS 34 4.247 5.805 29.788 278 HD2 LYS 34 HD2 LYS 34 3.435 3.580 30.599 279 HD3 LYS 34 HD1 LYS 34 2.495 4.405 31.844 280 HE2 LYS 34 HE2 LYS 34 1.161 5.534 30.094 281 HE3 LYS 34 HE1 LYS 34 2.109 4.725 28.844 282 HZ1 LYS 34 HZ1 LYS 34 0.069 3.556 29.180 283 HZ2 LYS 34 HZ2 LYS 34 0.339 3.439 30.843 284 HZ3 LYS 34 HZ3 LYS 34 1.324 2.592 29.764 285 H TYR 35 HN TYR 35 7.914 5.644 30.569 286 HA TYR 35 HA TYR 35 7.339 5.584 27.740 287 HB2 TYR 35 HB2 TYR 35 8.504 7.519 28.654 288 HB3 TYR 35 HB1 TYR 35 9.827 6.509 29.225 289 HD1 TYR 35 HD2 TYR 35 8.077 7.336 25.986 290 HD2 TYR 35 HD1 TYR 35 11.781 6.478 27.909 291 HE1 TYR 35 HE2 TYR 35 9.273 7.778 23.890 292 HE2 TYR 35 HE1 TYR 35 12.976 6.924 25.819 293 HH TYR 35 HH TYR 35 11.596 8.492 23.202 294 H ALA 36 HN ALA 36 9.622 3.913 29.880 295 HA ALA 36 HA ALA 36 11.056 2.477 27.910 296 HB1 ALA 36 HB1 ALA 36 11.891 2.758 30.205 297 HB2 ALA 36 HB2 ALA 36 11.841 1.057 29.744 298 HB3 ALA 36 HB3 ALA 36 10.600 1.719 30.810 299 H GLU 37 HN GLU 37 8.167 1.527 29.816 300 HA GLU 37 HA GLU 37 7.742 -0.993 28.726 301 HB2 GLU 37 HB2 GLU 37 5.570 0.899 29.729 302 HB3 GLU 37 HB1 GLU 37 5.482 -0.858 29.643 303 HG2 GLU 37 HG2 GLU 37 7.222 0.785 31.494 304 HG3 GLU 37 HG1 GLU 37 5.797 -0.133 31.938 305 H LEU 38 HN LEU 38 6.016 1.979 27.954 306 HA LEU 38 HA LEU 38 4.745 1.372 25.629 307 HB2 LEU 38 HB2 LEU 38 6.226 3.935 26.238 308 HB3 LEU 38 HB1 LEU 38 5.152 3.752 24.855 309 HG LEU 38 HG LEU 38 4.306 3.454 27.758 310 HD11 LEU 38 HD11 LEU 38 3.841 5.743 25.828 311 HD12 LEU 38 HD12 LEU 38 4.899 5.763 27.239 312 HD13 LEU 38 HD13 LEU 38 3.161 5.599 27.452 313 HD21 LEU 38 HD21 LEU 38 2.618 3.452 25.230 314 HD22 LEU 38 HD22 LEU 38 2.007 3.413 26.886 315 HD23 LEU 38 HD23 LEU 38 2.945 2.058 26.264 316 H GLU 39 HN GLU 39 8.197 2.214 25.758 317 HA GLU 39 HA GLU 39 8.860 1.768 23.060 318 HB2 GLU 39 HB2 GLU 39 10.455 1.619 25.624 319 HB3 GLU 39 HB1 GLU 39 11.213 1.184 24.091 320 HG2 GLU 39 HG2 GLU 39 10.661 3.439 23.213 321 HG3 GLU 39 HG1 GLU 39 9.944 3.865 24.767 322 H LYS 40 HN LYS 40 8.651 -0.450 25.687 323 HA LYS 40 HA LYS 40 9.480 -2.877 24.329 324 HB2 LYS 40 HB2 LYS 40 7.559 -2.726 26.689 325 HB3 LYS 40 HB1 LYS 40 8.380 -4.183 26.128 326 HG2 LYS 40 HG2 LYS 40 10.553 -3.186 26.702 327 HG3 LYS 40 HG1 LYS 40 9.741 -1.717 27.232 328 HD2 LYS 40 HD2 LYS 40 8.549 -3.003 28.991 329 HD3 LYS 40 HD1 LYS 40 9.403 -4.468 28.494 330 HE2 LYS 40 HE2 LYS 40 10.390 -3.386 30.501 331 HE3 LYS 40 HE1 LYS 40 11.537 -3.480 29.160 332 HZ1 LYS 40 HZ1 LYS 40 11.034 -1.162 28.654 333 HZ2 LYS 40 HZ2 LYS 40 11.606 -1.333 30.232 334 HZ3 LYS 40 HZ3 LYS 40 9.959 -1.096 29.962 335 H GLU 41 HN GLU 41 6.224 -1.786 25.140 336 HA GLU 41 HA GLU 41 4.621 -3.508 23.724 337 HB2 GLU 41 HB2 GLU 41 4.081 -0.553 24.256 338 HB3 GLU 41 HB1 GLU 41 2.863 -1.765 23.879 339 HG2 GLU 41 HG2 GLU 41 4.474 -1.432 26.413 340 HG3 GLU 41 HG1 GLU 41 2.725 -1.432 26.218 341 H LYS 42 HN LYS 42 6.023 -0.532 22.720 342 HA LYS 42 HA LYS 42 5.082 -0.462 20.012 343 HB2 LYS 42 HB2 LYS 42 5.914 1.576 21.025 344 HB3 LYS 42 HB1 LYS 42 7.501 0.877 21.279 345 HG2 LYS 42 HG2 LYS 42 6.696 0.888 18.429 346 HG3 LYS 42 HG1 LYS 42 6.750 2.498 19.121 347 HD2 LYS 42 HD2 LYS 42 9.031 0.487 19.152 348 HD3 LYS 42 HD1 LYS 42 8.899 1.873 18.069 349 HE2 LYS 42 HE2 LYS 42 9.030 3.397 20.014 350 HE3 LYS 42 HE1 LYS 42 9.160 2.007 21.097 351 HZ1 LYS 42 HZ1 LYS 42 11.091 2.749 18.966 352 HZ2 LYS 42 HZ2 LYS 42 11.207 1.384 19.954 353 HZ3 LYS 42 HZ3 LYS 42 11.327 2.919 20.635 354 H ALA 43 HN ALA 43 8.235 -1.437 21.358 355 HA ALA 43 HA ALA 43 9.562 -2.450 19.173 356 HB1 ALA 43 HB1 ALA 43 10.627 -2.270 21.380 357 HB2 ALA 43 HB2 ALA 43 10.904 -3.867 20.675 358 HB3 ALA 43 HB3 ALA 43 9.696 -3.657 21.950 359 H THR 44 HN THR 44 7.317 -4.219 21.143 360 HA THR 44 HA THR 44 7.352 -6.726 19.775 361 HB THR 44 HB THR 44 5.214 -5.621 21.663 362 HG1 THR 44 HG1 THR 44 7.598 -5.840 22.323 363 HG21 THR 44 HG21 THR 44 5.909 -8.496 20.959 364 HG22 THR 44 HG22 THR 44 4.442 -7.644 20.481 365 HG23 THR 44 HG23 THR 44 4.739 -7.996 22.184 366 H LEU 45 HN LEU 45 4.994 -4.057 19.877 367 HA LEU 45 HA LEU 45 3.277 -4.877 17.894 368 HB2 LEU 45 HB2 LEU 45 3.968 -2.219 18.971 369 HB3 LEU 45 HB1 LEU 45 3.454 -2.144 17.295 370 HG LEU 45 HG LEU 45 1.831 -3.142 19.664 371 HD11 LEU 45 HD11 LEU 45 0.248 -1.404 19.018 372 HD12 LEU 45 HD12 LEU 45 1.306 -0.917 17.690 373 HD13 LEU 45 HD13 LEU 45 1.841 -0.722 19.359 374 HD21 LEU 45 HD21 LEU 45 1.131 -3.405 16.723 375 HD22 LEU 45 HD22 LEU 45 0.025 -3.691 18.067 376 HD23 LEU 45 HD23 LEU 45 1.432 -4.726 17.859 377 H GLU 46 HN GLU 46 6.378 -3.188 17.357 378 HA GLU 46 HA GLU 46 6.394 -3.211 14.583 379 HB2 GLU 46 HB2 GLU 46 8.795 -3.465 16.428 380 HB3 GLU 46 HB1 GLU 46 8.846 -2.992 14.734 381 HG2 GLU 46 HG2 GLU 46 7.489 -0.943 15.344 382 HG3 GLU 46 HG1 GLU 46 7.622 -1.430 17.023 383 H ALA 47 HN ALA 47 8.489 -5.394 16.486 384 HA ALA 47 HA ALA 47 9.095 -7.482 15.061 385 HB1 ALA 47 HB1 ALA 47 7.811 -7.812 17.796 386 HB2 ALA 47 HB2 ALA 47 9.483 -7.335 17.485 387 HB3 ALA 47 HB3 ALA 47 8.929 -8.945 17.025 388 H GLU 48 HN GLU 48 5.785 -7.377 16.404 389 HA GLU 48 HA GLU 48 4.588 -9.526 15.092 390 HB2 GLU 48 HB2 GLU 48 3.581 -8.365 17.027 391 HB3 GLU 48 HB1 GLU 48 3.434 -6.881 16.098 392 HG2 GLU 48 HG2 GLU 48 1.262 -7.719 16.140 393 HG3 GLU 48 HG1 GLU 48 1.853 -8.192 14.553 394 H ILE 49 HN ILE 49 4.052 -6.147 14.364 395 HA ILE 49 HA ILE 49 2.847 -6.584 11.813 396 HB ILE 49 HB ILE 49 2.820 -4.233 11.350 397 HG12 ILE 49 HG12 ILE 49 4.852 -3.876 13.602 398 HG13 ILE 49 HG11 ILE 49 5.190 -3.672 11.891 399 HG21 ILE 49 HG21 ILE 49 2.411 -4.679 14.328 400 HG22 ILE 49 HG22 ILE 49 1.232 -4.995 13.056 401 HG23 ILE 49 HG23 ILE 49 1.739 -3.341 13.392 402 HD11 ILE 49 HD11 ILE 49 3.659 -1.755 11.846 403 HD12 ILE 49 HD12 ILE 49 4.987 -1.552 12.987 404 HD13 ILE 49 HD13 ILE 49 3.376 -1.963 13.580 405 H ALA 50 HN ALA 50 6.038 -7.056 12.472 406 HA ALA 50 HA ALA 50 7.058 -6.279 9.819 407 HB1 ALA 50 HB1 ALA 50 8.302 -5.202 11.663 408 HB2 ALA 50 HB2 ALA 50 9.318 -6.385 10.835 409 HB3 ALA 50 HB3 ALA 50 8.597 -6.778 12.401 410 H ARG 51 HN ARG 51 6.850 -8.670 12.255 411 HA ARG 51 HA ARG 51 7.644 -11.058 10.923 412 HB2 ARG 51 HB2 ARG 51 6.713 -10.887 13.358 413 HB3 ARG 51 HB1 ARG 51 5.120 -11.028 12.643 414 HG2 ARG 51 HG2 ARG 51 5.791 -13.213 13.432 415 HG3 ARG 51 HG1 ARG 51 5.818 -13.244 11.666 416 HD2 ARG 51 HD2 ARG 51 8.259 -12.896 11.687 417 HD3 ARG 51 HD1 ARG 51 8.241 -12.836 13.451 418 HE ARG 51 HE ARG 51 7.185 -15.256 12.997 419 HH11 ARG 51 HH11 ARG 51 10.024 -13.758 11.575 420 HH12 ARG 51 HH12 ARG 51 10.913 -15.246 11.484 421 HH21 ARG 51 HH21 ARG 51 8.360 -17.199 12.882 422 HH22 ARG 51 HH22 ARG 51 9.960 -17.196 12.213 423 H LEU 52 HN LEU 52 4.541 -9.539 11.030 424 HA LEU 52 HA LEU 52 3.185 -10.878 8.983 425 HB2 LEU 52 HB2 LEU 52 2.718 -8.281 10.413 426 HB3 LEU 52 HB1 LEU 52 1.859 -8.505 8.904 427 HG LEU 52 HG LEU 52 0.411 -9.131 10.741 428 HD11 LEU 52 HD11 LEU 52 1.341 -11.634 9.294 429 HD12 LEU 52 HD12 LEU 52 0.176 -10.449 8.691 430 HD13 LEU 52 HD13 LEU 52 -0.209 -11.412 10.114 431 HD21 LEU 52 HD21 LEU 52 0.921 -10.954 12.301 432 HD22 LEU 52 HD22 LEU 52 2.078 -9.636 12.448 433 HD23 LEU 52 HD23 LEU 52 2.535 -11.116 11.602 434 H ARG 53 HN ARG 53 5.090 -7.771 8.821 435 HA ARG 53 HA ARG 53 4.825 -7.744 5.940 436 HB2 ARG 53 HB2 ARG 53 6.165 -5.899 7.929 437 HB3 ARG 53 HB1 ARG 53 6.344 -5.678 6.192 438 HG2 ARG 53 HG2 ARG 53 3.942 -5.314 5.932 439 HG3 ARG 53 HG1 ARG 53 3.670 -5.672 7.641 440 HD2 ARG 53 HD2 ARG 53 3.692 -3.220 7.103 441 HD3 ARG 53 HD1 ARG 53 4.878 -3.698 8.321 442 HE ARG 53 HE ARG 53 5.803 -3.536 5.550 443 HH11 ARG 53 HH11 ARG 53 5.637 -1.921 8.666 444 HH12 ARG 53 HH12 ARG 53 6.970 -0.867 8.316 445 HH21 ARG 53 HH21 ARG 53 7.555 -2.162 5.122 446 HH22 ARG 53 HH22 ARG 53 8.073 -1.011 6.317 447 H GLU 54 HN GLU 54 6.864 -9.609 7.864 448 HA GLU 54 HA GLU 54 8.980 -9.533 5.800 449 HB2 GLU 54 HB2 GLU 54 10.339 -10.960 7.087 450 HB3 GLU 54 HB1 GLU 54 9.645 -9.831 8.237 451 HG2 GLU 54 HG2 GLU 54 8.065 -11.580 8.966 452 HG3 GLU 54 HG1 GLU 54 8.770 -12.693 7.801 453 H VAL 55 HN VAL 55 6.685 -12.270 7.070 454 HA VAL 55 HA VAL 55 6.146 -13.429 4.862 455 HB VAL 55 HB VAL 55 3.813 -11.854 6.069 456 HG11 VAL 55 HG11 VAL 55 2.438 -13.766 5.301 457 HG12 VAL 55 HG12 VAL 55 3.868 -14.522 4.595 458 HG13 VAL 55 HG13 VAL 55 3.267 -12.996 3.948 459 HG21 VAL 55 HG21 VAL 55 3.467 -13.793 7.583 460 HG22 VAL 55 HG22 VAL 55 5.015 -13.006 7.881 461 HG23 VAL 55 HG23 VAL 55 4.958 -14.523 6.988 462 H HIS 56 HN HIS 56 4.970 -9.872 5.041 463 HA HIS 56 HA HIS 56 4.841 -9.860 2.178 464 HB2 HIS 56 HB2 HIS 56 4.295 -7.736 4.277 465 HB3 HIS 56 HB1 HIS 56 4.071 -7.483 2.553 466 HD1 HIS 56 HD1 HIS 56 1.590 -7.377 2.271 467 HD2 HIS 56 HD2 HIS 56 2.725 -10.512 4.747 468 HE1 HIS 56 HE1 HIS 56 -0.527 -8.602 2.828 469 HE2 HIS 56 HE2 HIS 56 0.172 -10.412 4.429 470 H SER 57 HN SER 57 7.580 -10.054 3.510 471 HA SER 57 HA SER 57 8.844 -8.033 1.725 472 HB2 SER 57 HB2 SER 57 10.118 -9.776 3.887 473 HB3 SER 57 HB1 SER 57 11.010 -8.715 2.798 474 HG SER 57 HG SER 57 8.981 -7.425 4.051 475 H GLN 58 HN GLN 58 8.828 -11.429 2.677 476 HA GLN 58 HA GLN 58 10.076 -12.548 0.387 477 HB2 GLN 58 HB2 GLN 58 8.065 -13.836 2.298 478 HB3 GLN 58 HB1 GLN 58 9.209 -14.693 1.264 479 HG2 GLN 58 HG2 GLN 58 11.079 -13.982 2.571 480 HG3 GLN 58 HG1 GLN 58 10.121 -12.777 3.431 481 HE21 GLN 58 HE21 GLN 58 10.584 -13.535 5.457 482 HE22 GLN 58 HE22 GLN 58 10.008 -15.040 6.071 483 H LYS 59 HN LYS 59 6.845 -11.569 1.198 484 HA LYS 59 HA LYS 59 5.868 -12.093 -1.515 485 HB2 LYS 59 HB2 LYS 59 4.292 -12.657 1.037 486 HB3 LYS 59 HB1 LYS 59 3.656 -12.802 -0.598 487 HG2 LYS 59 HG2 LYS 59 5.100 -14.688 -1.068 488 HG3 LYS 59 HG1 LYS 59 5.978 -14.450 0.447 489 HD2 LYS 59 HD2 LYS 59 3.902 -15.001 1.714 490 HD3 LYS 59 HD1 LYS 59 3.068 -15.297 0.183 491 HE2 LYS 59 HE2 LYS 59 5.516 -16.808 1.151 492 HE3 LYS 59 HE1 LYS 59 3.856 -17.390 1.281 493 HZ1 LYS 59 HZ1 LYS 59 3.708 -17.328 -1.143 494 HZ2 LYS 59 HZ2 LYS 59 4.940 -18.355 -0.614 495 HZ3 LYS 59 HZ3 LYS 59 5.326 -16.832 -1.241 496 H LEU 60 HN LEU 60 6.485 -9.753 -1.725 497 HA LEU 60 HA LEU 60 6.050 -7.706 0.003 498 HB2 LEU 60 HB2 LEU 60 7.261 -7.588 -2.230 499 HB3 LEU 60 HB1 LEU 60 5.713 -7.341 -3.006 500 HG LEU 60 HG LEU 60 6.842 -5.411 -0.918 501 HD11 LEU 60 HD11 LEU 60 7.143 -5.179 -3.933 502 HD12 LEU 60 HD12 LEU 60 8.438 -5.450 -2.762 503 HD13 LEU 60 HD13 LEU 60 7.556 -3.917 -2.762 504 HD21 LEU 60 HD21 LEU 60 4.434 -5.127 -1.248 505 HD22 LEU 60 HD22 LEU 60 4.659 -4.981 -2.992 506 HD23 LEU 60 HD23 LEU 60 5.304 -3.743 -1.908 507 H SER 61 HN SER 61 3.837 -8.239 -2.703 508 HA SER 61 HA SER 61 1.494 -7.992 -0.965 509 HB2 SER 61 HB2 SER 61 1.938 -5.707 -2.045 510 HB3 SER 61 HB1 SER 61 1.669 -6.465 -3.613 511 HG SER 61 HG SER 61 -0.123 -5.599 -1.797 512 H LYS 62 HN LYS 62 -0.527 -8.668 -2.552 513 HA LYS 62 HA LYS 62 0.014 -11.325 -3.349 514 HB2 LYS 62 HB2 LYS 62 -2.360 -9.588 -4.126 515 HB3 LYS 62 HB1 LYS 62 -2.281 -11.336 -4.311 516 HG2 LYS 62 HG2 LYS 62 -2.148 -11.575 -1.848 517 HG3 LYS 62 HG1 LYS 62 -2.264 -9.818 -1.681 518 HD2 LYS 62 HD2 LYS 62 -4.492 -9.866 -2.775 519 HD3 LYS 62 HD1 LYS 62 -4.378 -11.616 -2.949 520 HE2 LYS 62 HE2 LYS 62 -5.804 -11.109 -1.069 521 HE3 LYS 62 HE1 LYS 62 -4.304 -11.798 -0.444 522 HZ1 LYS 62 HZ1 LYS 62 -4.972 -8.900 -0.545 523 HZ2 LYS 62 HZ2 LYS 62 -3.548 -9.561 0.078 524 HZ3 LYS 62 HZ3 LYS 62 -5.022 -9.882 0.836 525 H GLU 63 HN GLU 63 -1.305 -8.882 -5.539 526 HA GLU 63 HA GLU 63 -0.623 -9.924 -7.983 527 HB2 GLU 63 HB2 GLU 63 -2.173 -7.941 -7.517 528 HB3 GLU 63 HB1 GLU 63 -0.747 -6.938 -7.368 529 HG2 GLU 63 HG2 GLU 63 -1.710 -6.654 -9.566 530 HG3 GLU 63 HG1 GLU 63 -0.142 -7.450 -9.715 531 H ALA 64 HN ALA 64 1.248 -7.593 -6.032 532 HA ALA 64 HA ALA 64 3.323 -6.990 -7.815 533 HB1 ALA 64 HB1 ALA 64 2.888 -5.714 -5.751 534 HB2 ALA 64 HB2 ALA 64 4.574 -6.226 -5.837 535 HB3 ALA 64 HB3 ALA 64 3.446 -7.077 -4.776 536 H GLN 65 HN GLN 65 3.322 -9.357 -5.126 537 HA GLN 65 HA GLN 65 5.838 -10.535 -5.537 538 HB2 GLN 65 HB2 GLN 65 4.018 -10.969 -3.663 539 HB3 GLN 65 HB1 GLN 65 3.488 -12.266 -4.716 540 HG2 GLN 65 HG2 GLN 65 6.240 -11.962 -3.480 541 HG3 GLN 65 HG1 GLN 65 4.978 -13.030 -2.914 542 HE21 GLN 65 HE21 GLN 65 7.554 -12.586 -5.126 543 HE22 GLN 65 HE22 GLN 65 7.509 -14.149 -5.858 544 H LYS 66 HN LYS 66 2.651 -11.485 -7.049 545 HA LYS 66 HA LYS 66 3.510 -13.533 -8.690 546 HB2 LYS 66 HB2 LYS 66 1.158 -13.010 -8.395 547 HB3 LYS 66 HB1 LYS 66 1.356 -11.442 -9.168 548 HG2 LYS 66 HG2 LYS 66 1.922 -12.613 -11.309 549 HG3 LYS 66 HG1 LYS 66 1.598 -14.150 -10.518 550 HD2 LYS 66 HD2 LYS 66 -0.739 -13.394 -10.084 551 HD3 LYS 66 HD1 LYS 66 -0.383 -11.895 -10.944 552 HE2 LYS 66 HE2 LYS 66 0.116 -13.289 -12.989 553 HE3 LYS 66 HE1 LYS 66 -0.467 -14.697 -12.101 554 HZ1 LYS 66 HZ1 LYS 66 -2.580 -13.473 -11.786 555 HZ2 LYS 66 HZ2 LYS 66 -2.237 -13.858 -13.389 556 HZ3 LYS 66 HZ3 LYS 66 -2.009 -12.279 -12.841 557 H LEU 67 HN LEU 67 3.286 -10.042 -9.572 558 HA LEU 67 HA LEU 67 4.257 -10.035 -12.056 559 HB2 LEU 67 HB2 LEU 67 4.979 -8.018 -9.885 560 HB3 LEU 67 HB1 LEU 67 5.155 -7.739 -11.607 561 HG LEU 67 HG LEU 67 2.551 -8.040 -10.065 562 HD11 LEU 67 HD11 LEU 67 3.598 -5.828 -9.828 563 HD12 LEU 67 HD12 LEU 67 2.099 -5.730 -10.745 564 HD13 LEU 67 HD13 LEU 67 3.649 -5.652 -11.586 565 HD21 LEU 67 HD21 LEU 67 2.312 -9.145 -12.250 566 HD22 LEU 67 HD22 LEU 67 2.857 -7.666 -13.056 567 HD23 LEU 67 HD23 LEU 67 1.342 -7.676 -12.149 568 H MET 68 HN MET 68 6.376 -9.513 -9.288 569 HA MET 68 HA MET 68 8.879 -9.935 -10.178 570 HB2 MET 68 HB2 MET 68 7.746 -11.097 -7.601 571 HB3 MET 68 HB1 MET 68 9.459 -10.878 -7.933 572 HG2 MET 68 HG2 MET 68 9.079 -8.436 -8.121 573 HG3 MET 68 HG1 MET 68 7.387 -8.688 -7.699 574 HE1 MET 68 HE1 MET 68 9.044 -6.969 -4.522 575 HE2 MET 68 HE2 MET 68 7.785 -6.805 -5.748 576 HE3 MET 68 HE3 MET 68 9.490 -6.703 -6.208 577 H LYS 69 HN LYS 69 6.770 -12.778 -9.178 578 HA LYS 69 HA LYS 69 8.795 -14.623 -10.183 579 HB2 LYS 69 HB2 LYS 69 7.451 -16.364 -9.149 580 HB3 LYS 69 HB1 LYS 69 7.625 -15.024 -8.017 581 HG2 LYS 69 HG2 LYS 69 5.363 -14.287 -8.410 582 HG3 LYS 69 HG1 LYS 69 5.176 -15.394 -9.771 583 HD2 LYS 69 HD2 LYS 69 5.387 -17.319 -8.184 584 HD3 LYS 69 HD1 LYS 69 5.451 -16.171 -6.843 585 HE2 LYS 69 HE2 LYS 69 3.192 -15.389 -7.366 586 HE3 LYS 69 HE1 LYS 69 3.131 -16.420 -8.796 587 HZ1 LYS 69 HZ1 LYS 69 1.937 -17.440 -7.016 588 HZ2 LYS 69 HZ2 LYS 69 3.261 -17.321 -5.977 589 HZ3 LYS 69 HZ3 LYS 69 3.331 -18.347 -7.314 590 H MET 70 HN MET 70 6.843 -12.911 -12.030 591 HA MET 70 HA MET 70 5.203 -14.627 -13.524 592 HB2 MET 70 HB2 MET 70 6.600 -12.033 -14.166 593 HB3 MET 70 HB1 MET 70 5.841 -12.911 -15.484 594 HG2 MET 70 HG2 MET 70 4.410 -11.961 -12.994 595 HG3 MET 70 HG1 MET 70 4.405 -11.151 -14.558 596 HE1 MET 70 HE1 MET 70 1.620 -11.533 -13.560 597 HE2 MET 70 HE2 MET 70 0.819 -12.412 -14.864 598 HE3 MET 70 HE3 MET 70 1.961 -11.117 -15.244 599 HA PRO 71 HA PRO 71 8.150 -16.886 -16.144 600 HB2 PRO 71 HB2 PRO 71 6.562 -17.553 -18.268 601 HB3 PRO 71 HB1 PRO 71 6.446 -18.352 -16.695 602 HG2 PRO 71 HG2 PRO 71 4.724 -16.178 -17.854 603 HG3 PRO 71 HG1 PRO 71 4.242 -17.611 -16.921 604 HD2 PRO 71 HD2 PRO 71 4.470 -15.097 -15.829 605 HD3 PRO 71 HD1 PRO 71 4.690 -16.589 -14.892 606 H PHE 72 HN PHE 72 6.088 -14.648 -18.122 607 HA PHE 72 HA PHE 72 8.453 -14.142 -19.887 608 HB2 PHE 72 HB2 PHE 72 5.480 -13.793 -20.564 609 HB3 PHE 72 HB1 PHE 72 6.819 -13.417 -21.640 610 HD1 PHE 72 HD1 PHE 72 4.801 -16.107 -20.165 611 HD2 PHE 72 HD2 PHE 72 8.052 -15.220 -22.796 612 HE1 PHE 72 HE1 PHE 72 4.670 -18.371 -21.099 613 HE2 PHE 72 HE2 PHE 72 7.907 -17.489 -23.730 614 HZ PHE 72 HZ PHE 72 6.218 -19.066 -22.885 615 H GLN 73 HN GLN 73 9.255 -11.889 -19.617 616 HA GLN 73 HA GLN 73 7.506 -9.804 -18.875 617 HB2 GLN 73 HB2 GLN 73 8.231 -9.321 -16.621 618 HB3 GLN 73 HB1 GLN 73 7.648 -10.977 -16.638 619 HG2 GLN 73 HG2 GLN 73 10.574 -10.170 -16.716 620 HG3 GLN 73 HG1 GLN 73 9.691 -10.628 -15.266 621 HE21 GLN 73 HE21 GLN 73 9.106 -12.789 -14.971 622 HE22 GLN 73 HE22 GLN 73 9.821 -14.074 -15.876 623 H ARG 74 HN ARG 74 8.795 -7.891 -18.222 624 HA ARG 74 HA ARG 74 11.563 -7.489 -18.671 625 HB2 ARG 74 HB2 ARG 74 11.657 -6.420 -20.908 626 HB3 ARG 74 HB1 ARG 74 11.163 -8.103 -21.021 627 HG2 ARG 74 HG2 ARG 74 8.802 -7.379 -21.302 628 HG3 ARG 74 HG1 ARG 74 9.322 -5.692 -21.239 629 HD2 ARG 74 HD2 ARG 74 10.617 -5.962 -23.283 630 HD3 ARG 74 HD1 ARG 74 10.301 -7.701 -23.299 631 HE ARG 74 HE ARG 74 7.882 -6.182 -23.358 632 HH11 ARG 74 HH11 ARG 74 10.487 -7.262 -25.454 633 HH12 ARG 74 HH12 ARG 74 9.491 -7.293 -26.873 634 HH21 ARG 74 HH21 ARG 74 6.600 -6.245 -25.229 635 HH22 ARG 74 HH22 ARG 74 7.300 -6.694 -26.747 636 H ALA 75 HN ALA 75 11.881 -4.967 -19.556 637 HA ALA 75 HA ALA 75 9.800 -3.253 -18.365 638 HB1 ALA 75 HB1 ALA 75 11.613 -1.571 -18.071 639 HB2 ALA 75 HB2 ALA 75 12.791 -2.736 -18.686 640 HB3 ALA 75 HB3 ALA 75 11.953 -3.047 -17.162 641 H ILE 76 HN ILE 76 8.928 -1.648 -20.040 642 HA ILE 76 HA ILE 76 8.983 -3.072 -22.549 643 HB ILE 76 HB ILE 76 7.240 -0.815 -21.437 644 HG12 ILE 76 HG12 ILE 76 6.984 -2.942 -20.160 645 HG13 ILE 76 HG11 ILE 76 5.506 -2.514 -21.023 646 HG21 ILE 76 HG21 ILE 76 5.658 -1.306 -23.270 647 HG22 ILE 76 HG22 ILE 76 6.809 -2.451 -23.954 648 HG23 ILE 76 HG23 ILE 76 7.215 -0.740 -23.869 649 HD11 ILE 76 HD11 ILE 76 7.509 -4.595 -21.923 650 HD12 ILE 76 HD12 ILE 76 5.990 -4.192 -22.730 651 HD13 ILE 76 HD13 ILE 76 5.972 -4.909 -21.120 652 H THR 77 HN THR 77 10.138 -2.291 -24.251 653 HA THR 77 HA THR 77 11.718 0.057 -24.164 654 HB THR 77 HB THR 77 12.162 -0.463 -26.618 655 HG1 THR 77 HG1 THR 77 11.269 -2.523 -27.319 656 HG21 THR 77 HG21 THR 77 13.331 -2.594 -26.222 657 HG22 THR 77 HG22 THR 77 12.435 -2.812 -24.719 658 HG23 THR 77 HG23 THR 77 13.577 -1.475 -24.876 659 H LYS 78 HN LYS 78 11.618 1.937 -25.417 660 HA LYS 78 HA LYS 78 9.259 3.299 -25.981 661 HB2 LYS 78 HB2 LYS 78 11.944 3.598 -27.380 662 HB3 LYS 78 HB1 LYS 78 10.643 4.788 -27.418 663 HG2 LYS 78 HG2 LYS 78 10.868 5.122 -24.990 664 HG3 LYS 78 HG1 LYS 78 12.134 3.900 -24.940 665 HD2 LYS 78 HD2 LYS 78 13.303 5.964 -24.945 666 HD3 LYS 78 HD1 LYS 78 13.434 5.393 -26.607 667 HE2 LYS 78 HE2 LYS 78 11.406 7.427 -25.630 668 HE3 LYS 78 HE1 LYS 78 12.922 7.839 -26.411 669 HZ1 LYS 78 HZ1 LYS 78 10.664 6.355 -27.635 670 HZ2 LYS 78 HZ2 LYS 78 12.128 6.707 -28.402 671 HZ3 LYS 78 HZ3 LYS 78 11.097 7.960 -27.942 672 H LYS 79 HN LYS 79 10.998 1.058 -27.848 673 HA LYS 79 HA LYS 79 9.865 1.182 -30.429 674 HB2 LYS 79 HB2 LYS 79 10.983 -1.135 -28.810 675 HB3 LYS 79 HB1 LYS 79 10.424 -1.352 -30.461 676 HG2 LYS 79 HG2 LYS 79 12.588 0.622 -29.678 677 HG3 LYS 79 HG1 LYS 79 12.918 -1.038 -30.186 678 HD2 LYS 79 HD2 LYS 79 11.441 1.032 -31.860 679 HD3 LYS 79 HD1 LYS 79 13.150 0.617 -32.048 680 HE2 LYS 79 HE2 LYS 79 12.495 -1.725 -32.580 681 HE3 LYS 79 HE1 LYS 79 10.795 -1.272 -32.441 682 HZ1 LYS 79 HZ1 LYS 79 11.475 -1.301 -34.726 683 HZ2 LYS 79 HZ2 LYS 79 12.737 -0.228 -34.419 684 HZ3 LYS 79 HZ3 LYS 79 11.140 0.295 -34.269 685 H GLU 80 HN GLU 80 8.852 -0.794 -27.591 686 HA GLU 80 HA GLU 80 6.486 -1.788 -28.901 687 HB2 GLU 80 HB2 GLU 80 7.303 -1.948 -25.976 688 HB3 GLU 80 HB1 GLU 80 6.037 -2.902 -26.757 689 HG2 GLU 80 HG2 GLU 80 9.015 -3.051 -27.335 690 HG3 GLU 80 HG1 GLU 80 8.083 -4.207 -26.388 691 H GLN 81 HN GLN 81 7.260 0.913 -26.735 692 HA GLN 81 HA GLN 81 4.663 1.784 -26.210 693 HB2 GLN 81 HB2 GLN 81 7.284 3.316 -26.454 694 HB3 GLN 81 HB1 GLN 81 5.791 4.035 -25.845 695 HG2 GLN 81 HG2 GLN 81 5.772 2.593 -23.925 696 HG3 GLN 81 HG1 GLN 81 7.045 1.573 -24.595 697 HE21 GLN 81 HE21 GLN 81 8.361 1.833 -22.799 698 HE22 GLN 81 HE22 GLN 81 9.184 3.308 -22.453 699 H ALA 82 HN ALA 82 6.702 2.446 -28.959 700 HA ALA 82 HA ALA 82 5.051 4.030 -30.513 701 HB1 ALA 82 HB1 ALA 82 6.241 3.227 -32.493 702 HB2 ALA 82 HB2 ALA 82 6.841 1.831 -31.598 703 HB3 ALA 82 HB3 ALA 82 7.366 3.455 -31.155 704 H ASP 83 HN ASP 83 4.506 0.721 -29.650 705 HA ASP 83 HA ASP 83 2.133 0.542 -31.404 706 HB2 ASP 83 HB2 ASP 83 4.304 -1.599 -31.194 707 HB3 ASP 83 HB1 ASP 83 2.754 -1.825 -31.998 708 H MET 84 HN MET 84 2.059 1.146 -28.669 709 HA MET 84 HA MET 84 2.157 -1.098 -26.974 710 HB2 MET 84 HB2 MET 84 2.371 1.244 -26.174 711 HB3 MET 84 HB1 MET 84 0.653 1.484 -26.469 712 HG2 MET 84 HG2 MET 84 0.010 0.193 -24.656 713 HG3 MET 84 HG1 MET 84 1.492 -0.755 -24.662 714 HE1 MET 84 HE1 MET 84 3.850 1.187 -24.586 715 HE2 MET 84 HE2 MET 84 3.655 -0.156 -23.459 716 HE3 MET 84 HE3 MET 84 4.051 1.456 -22.855 717 H GLY 85 HN GLY 85 -0.319 0.049 -29.022 718 HA2 GLY 85 HA2 GLY 85 -2.576 -1.193 -27.708 719 HA3 GLY 85 HA1 GLY 85 -2.555 -0.490 -29.319 720 H LYS 86 HN LYS 86 -0.141 -2.289 -30.168 721 HA LYS 86 HA LYS 86 -1.690 -4.682 -30.806 722 HB2 LYS 86 HB2 LYS 86 -0.943 -3.456 -32.774 723 HB3 LYS 86 HB1 LYS 86 0.658 -3.218 -32.113 724 HG2 LYS 86 HG2 LYS 86 -0.278 -6.022 -32.702 725 HG3 LYS 86 HG1 LYS 86 0.204 -4.982 -34.038 726 HD2 LYS 86 HD2 LYS 86 1.938 -5.757 -31.668 727 HD3 LYS 86 HD1 LYS 86 2.052 -6.426 -33.294 728 HE2 LYS 86 HE2 LYS 86 2.763 -4.266 -34.176 729 HE3 LYS 86 HE1 LYS 86 2.496 -3.502 -32.609 730 HZ1 LYS 86 HZ1 LYS 86 4.486 -5.650 -33.100 731 HZ2 LYS 86 HZ2 LYS 86 4.266 -4.785 -31.670 732 HZ3 LYS 86 HZ3 LYS 86 4.843 -3.997 -33.047 733 H LEU 87 HN LEU 87 0.211 -3.491 -28.635 734 HA LEU 87 HA LEU 87 2.515 -5.358 -28.546 735 HB2 LEU 87 HB2 LEU 87 3.407 -3.251 -27.875 736 HB3 LEU 87 HB1 LEU 87 1.970 -2.845 -26.960 737 HG LEU 87 HG LEU 87 2.606 -4.601 -25.264 738 HD11 LEU 87 HD11 LEU 87 4.028 -6.022 -26.631 739 HD12 LEU 87 HD12 LEU 87 4.890 -5.469 -25.193 740 HD13 LEU 87 HD13 LEU 87 5.230 -4.728 -26.759 741 HD21 LEU 87 HD21 LEU 87 4.576 -2.338 -25.661 742 HD22 LEU 87 HD22 LEU 87 4.335 -3.238 -24.163 743 HD23 LEU 87 HD23 LEU 87 3.028 -2.259 -24.817 744 H LYS 88 HN LYS 88 -0.510 -4.342 -26.885 745 HA LYS 88 HA LYS 88 0.095 -5.976 -24.536 746 HB2 LYS 88 HB2 LYS 88 -1.725 -3.643 -25.243 747 HB3 LYS 88 HB1 LYS 88 -2.024 -4.588 -23.789 748 HG2 LYS 88 HG2 LYS 88 0.198 -3.989 -22.913 749 HG3 LYS 88 HG1 LYS 88 0.557 -3.105 -24.401 750 HD2 LYS 88 HD2 LYS 88 -0.112 -1.582 -22.570 751 HD3 LYS 88 HD1 LYS 88 -1.230 -1.506 -23.931 752 HE2 LYS 88 HE2 LYS 88 -2.819 -2.923 -22.722 753 HE3 LYS 88 HE1 LYS 88 -1.694 -3.055 -21.367 754 HZ1 LYS 88 HZ1 LYS 88 -1.894 -0.717 -20.981 755 HZ2 LYS 88 HZ2 LYS 88 -3.441 -1.402 -21.025 756 HZ3 LYS 88 HZ3 LYS 88 -2.871 -0.517 -22.346 757 H LYS 89 HN LYS 89 -1.909 -5.750 -27.365 758 HA LYS 89 HA LYS 89 -4.272 -7.002 -26.349 759 HB2 LYS 89 HB2 LYS 89 -5.090 -6.996 -28.683 760 HB3 LYS 89 HB1 LYS 89 -4.421 -5.446 -28.217 761 HG2 LYS 89 HG2 LYS 89 -3.469 -5.572 -30.295 762 HG3 LYS 89 HG1 LYS 89 -2.225 -6.444 -29.411 763 HD2 LYS 89 HD2 LYS 89 -2.696 -7.662 -31.443 764 HD3 LYS 89 HD1 LYS 89 -3.335 -8.605 -30.096 765 HE2 LYS 89 HE2 LYS 89 -4.932 -8.616 -31.939 766 HE3 LYS 89 HE1 LYS 89 -5.603 -7.712 -30.584 767 HZ1 LYS 89 HZ1 LYS 89 -4.358 -6.552 -33.014 768 HZ2 LYS 89 HZ2 LYS 89 -4.937 -5.659 -31.704 769 HZ3 LYS 89 HZ3 LYS 89 -6.006 -6.570 -32.640 770 H SER 90 HN SER 90 -1.533 -8.204 -28.238 771 HA SER 90 HA SER 90 -2.492 -10.795 -28.837 772 HB2 SER 90 HB2 SER 90 -0.516 -9.573 -29.920 773 HB3 SER 90 HB1 SER 90 0.426 -9.961 -28.488 774 HG SER 90 HG SER 90 0.171 -11.452 -30.576 775 H VAL 91 HN VAL 91 -0.665 -9.454 -26.228 776 HA VAL 91 HA VAL 91 -0.015 -11.899 -24.845 777 HB VAL 91 HB VAL 91 0.020 -9.217 -23.451 778 HG11 VAL 91 HG11 VAL 91 2.050 -11.474 -23.513 779 HG12 VAL 91 HG12 VAL 91 0.829 -11.222 -22.267 780 HG13 VAL 91 HG13 VAL 91 2.117 -10.038 -22.485 781 HG21 VAL 91 HG21 VAL 91 1.976 -9.917 -25.649 782 HG22 VAL 91 HG22 VAL 91 2.149 -8.575 -24.514 783 HG23 VAL 91 HG23 VAL 91 0.806 -8.599 -25.657 784 H ARG 92 HN ARG 92 -2.750 -9.909 -25.049 785 HA ARG 92 HA ARG 92 -4.845 -10.031 -24.302 786 HB2 ARG 92 HB2 ARG 92 -3.964 -12.404 -22.614 787 HB3 ARG 92 HB1 ARG 92 -5.634 -11.919 -22.894 788 HG2 ARG 92 HG2 ARG 92 -5.535 -12.561 -25.202 789 HG3 ARG 92 HG1 ARG 92 -3.777 -12.724 -25.153 790 HD2 ARG 92 HD2 ARG 92 -5.797 -14.486 -23.734 791 HD3 ARG 92 HD1 ARG 92 -4.803 -14.923 -25.128 792 HE ARG 92 HE ARG 92 -2.826 -14.650 -23.657 793 HH11 ARG 92 HH11 ARG 92 -5.922 -15.281 -22.149 794 HH12 ARG 92 HH12 ARG 92 -5.219 -15.926 -20.704 795 HH21 ARG 92 HH21 ARG 92 -1.921 -15.499 -21.757 796 HH22 ARG 92 HH22 ARG 92 -2.961 -16.039 -20.479 797 H GLY 93 HN GLY 93 -3.079 -11.018 -21.346 798 HA2 GLY 93 HA2 GLY 93 -4.605 -9.130 -19.747 799 HA3 GLY 93 HA1 GLY 93 -3.478 -10.339 -19.166 800 H LEU 94 HN LEU 94 -1.369 -9.422 -20.974 801 HA LEU 94 HA LEU 94 0.632 -8.574 -19.808 802 HB2 LEU 94 HB2 LEU 94 0.549 -8.168 -22.209 803 HB3 LEU 94 HB1 LEU 94 -0.322 -6.669 -21.974 804 HG LEU 94 HG LEU 94 1.654 -5.652 -20.903 805 HD11 LEU 94 HD11 LEU 94 2.638 -7.638 -19.837 806 HD12 LEU 94 HD12 LEU 94 3.827 -6.774 -20.798 807 HD13 LEU 94 HD13 LEU 94 3.109 -8.265 -21.413 808 HD21 LEU 94 HD21 LEU 94 1.483 -5.460 -23.344 809 HD22 LEU 94 HD22 LEU 94 2.399 -6.951 -23.540 810 HD23 LEU 94 HD23 LEU 94 3.171 -5.529 -22.832 811 H VAL 95 HN VAL 95 1.646 -6.986 -18.622 812 HA VAL 95 HA VAL 95 -0.138 -5.291 -16.987 813 HB VAL 95 HB VAL 95 2.255 -6.956 -16.005 814 HG11 VAL 95 HG11 VAL 95 0.476 -5.074 -14.406 815 HG12 VAL 95 HG12 VAL 95 2.149 -4.765 -14.879 816 HG13 VAL 95 HG13 VAL 95 1.781 -6.072 -13.754 817 HG21 VAL 95 HG21 VAL 95 0.650 -8.202 -14.615 818 HG22 VAL 95 HG22 VAL 95 0.230 -8.345 -16.322 819 HG23 VAL 95 HG23 VAL 95 -0.689 -7.260 -15.276 820 H VAL 96 HN VAL 96 0.737 -3.229 -16.813 821 HA VAL 96 HA VAL 96 3.489 -2.684 -17.702 822 HB VAL 96 HB VAL 96 1.170 -1.038 -18.839 823 HG11 VAL 96 HG11 VAL 96 2.911 -0.031 -20.295 824 HG12 VAL 96 HG12 VAL 96 4.144 -1.010 -19.490 825 HG13 VAL 96 HG13 VAL 96 3.263 0.219 -18.580 826 HG21 VAL 96 HG21 VAL 96 2.825 -3.132 -20.325 827 HG22 VAL 96 HG22 VAL 96 1.625 -2.058 -21.055 828 HG23 VAL 96 HG23 VAL 96 1.120 -3.284 -19.890 829 H VAL 97 HN VAL 97 4.409 -1.137 -16.384 830 HA VAL 97 HA VAL 97 2.755 0.208 -14.339 831 HB VAL 97 HB VAL 97 5.291 -1.379 -13.674 832 HG11 VAL 97 HG11 VAL 97 4.921 0.534 -12.175 833 HG12 VAL 97 HG12 VAL 97 4.680 -0.981 -11.307 834 HG13 VAL 97 HG13 VAL 97 3.283 -0.029 -11.820 835 HG21 VAL 97 HG21 VAL 97 3.872 -3.049 -12.516 836 HG22 VAL 97 HG22 VAL 97 3.485 -2.977 -14.235 837 HG23 VAL 97 HG23 VAL 97 2.418 -2.206 -13.062 838 H HIS 98 HN HIS 98 3.487 2.308 -14.013 839 HA HIS 98 HA HIS 98 5.728 3.205 -15.702 840 HB2 HIS 98 HB2 HIS 98 3.392 4.275 -15.863 841 HB3 HIS 98 HB1 HIS 98 3.670 4.944 -14.257 842 HD2 HIS 98 HD2 HIS 98 4.701 5.517 -17.947 843 HE1 HIS 98 HE1 HIS 98 6.629 8.441 -15.600 844 HE2 HIS 98 HE2 HIS 98 6.252 7.582 -17.940 845 HA PRO 99 HA PRO 99 8.393 3.602 -12.085 846 HB2 PRO 99 HB2 PRO 99 10.025 5.709 -12.894 847 HB3 PRO 99 HB1 PRO 99 10.210 4.037 -13.438 848 HG2 PRO 99 HG2 PRO 99 8.788 6.323 -14.796 849 HG3 PRO 99 HG1 PRO 99 9.926 5.144 -15.487 850 HD2 PRO 99 HD2 PRO 99 7.293 4.845 -15.835 851 HD3 PRO 99 HD1 PRO 99 8.317 3.430 -15.520 852 H MET 100 HN MET 100 6.981 6.644 -13.348 853 HA MET 100 HA MET 100 7.657 8.134 -10.956 854 HB2 MET 100 HB2 MET 100 6.026 8.983 -13.379 855 HB3 MET 100 HB1 MET 100 6.550 10.061 -12.089 856 HG2 MET 100 HG2 MET 100 8.937 9.326 -12.685 857 HG3 MET 100 HG1 MET 100 8.238 8.675 -14.166 858 HE1 MET 100 HE1 MET 100 6.770 10.276 -15.882 859 HE2 MET 100 HE2 MET 100 6.702 12.030 -15.722 860 HE3 MET 100 HE3 MET 100 5.846 11.008 -14.568 861 H THR 101 HN THR 101 4.979 6.216 -11.877 862 HA THR 101 HA THR 101 3.082 7.370 -10.012 863 HB THR 101 HB THR 101 1.749 5.330 -10.320 864 HG1 THR 101 HG1 THR 101 3.635 4.207 -12.080 865 HG21 THR 101 HG21 THR 101 2.912 6.229 -12.983 866 HG22 THR 101 HG22 THR 101 1.582 7.008 -12.121 867 HG23 THR 101 HG23 THR 101 1.384 5.375 -12.761 868 H ALA 102 HN ALA 102 2.489 6.371 -7.968 869 HA ALA 102 HA ALA 102 4.722 6.073 -6.311 870 HB1 ALA 102 HB1 ALA 102 2.584 7.005 -5.544 871 HB2 ALA 102 HB2 ALA 102 3.132 5.698 -4.498 872 HB3 ALA 102 HB3 ALA 102 1.838 5.410 -5.661 873 H LEU 103 HN LEU 103 2.772 3.630 -7.827 874 HA LEU 103 HA LEU 103 3.324 1.364 -6.095 875 HB2 LEU 103 HB2 LEU 103 1.450 1.253 -7.759 876 HB3 LEU 103 HB1 LEU 103 2.629 1.230 -9.059 877 HG LEU 103 HG LEU 103 3.524 -0.951 -8.182 878 HD11 LEU 103 HD11 LEU 103 1.196 -0.842 -6.233 879 HD12 LEU 103 HD12 LEU 103 2.910 -0.720 -5.820 880 HD13 LEU 103 HD13 LEU 103 2.271 -2.219 -6.490 881 HD21 LEU 103 HD21 LEU 103 1.867 -1.014 -9.992 882 HD22 LEU 103 HD22 LEU 103 0.549 -1.012 -8.818 883 HD23 LEU 103 HD23 LEU 103 1.652 -2.388 -8.908 884 H GLY 104 HN GLY 104 4.763 2.396 -9.264 885 HA2 GLY 104 HA2 GLY 104 7.011 0.703 -9.182 886 HA3 GLY 104 HA1 GLY 104 6.867 2.177 -10.122 887 H ARG 105 HN ARG 105 6.729 4.038 -8.423 888 HA ARG 105 HA ARG 105 9.250 4.675 -7.448 889 HB2 ARG 105 HB2 ARG 105 6.602 5.808 -6.511 890 HB3 ARG 105 HB1 ARG 105 8.124 6.347 -5.810 891 HG2 ARG 105 HG2 ARG 105 8.878 6.890 -8.189 892 HG3 ARG 105 HG1 ARG 105 7.207 6.627 -8.675 893 HD2 ARG 105 HD2 ARG 105 8.129 8.671 -6.633 894 HD3 ARG 105 HD1 ARG 105 7.736 9.010 -8.318 895 HE ARG 105 HE ARG 105 5.432 8.329 -7.832 896 HH11 ARG 105 HH11 ARG 105 7.417 9.134 -5.046 897 HH12 ARG 105 HH12 ARG 105 6.062 9.659 -4.100 898 HH21 ARG 105 HH21 ARG 105 3.689 9.041 -6.581 899 HH22 ARG 105 HH22 ARG 105 3.955 9.610 -4.964 900 H GLU 106 HN GLU 106 6.795 2.746 -5.706 901 HA GLU 106 HA GLU 106 8.368 2.649 -3.268 902 HB2 GLU 106 HB2 GLU 106 5.829 2.740 -3.271 903 HB3 GLU 106 HB1 GLU 106 5.826 1.136 -3.994 904 HG2 GLU 106 HG2 GLU 106 5.407 1.018 -1.595 905 HG3 GLU 106 HG1 GLU 106 6.916 0.205 -2.010 906 H MET 107 HN MET 107 7.692 0.640 -6.097 907 HA MET 107 HA MET 107 8.611 -1.865 -4.845 908 HB2 MET 107 HB2 MET 107 7.533 -1.250 -7.624 909 HB3 MET 107 HB1 MET 107 8.304 -2.783 -7.264 910 HG2 MET 107 HG2 MET 107 6.565 -3.360 -5.686 911 HG3 MET 107 HG1 MET 107 5.843 -1.760 -5.817 912 HE1 MET 107 HE1 MET 107 7.235 -3.960 -8.869 913 HE2 MET 107 HE2 MET 107 5.763 -4.825 -9.313 914 HE3 MET 107 HE3 MET 107 6.551 -5.157 -7.771 915 H GLY 108 HN GLY 108 9.918 0.888 -6.302 916 HA2 GLY 108 HA2 GLY 108 12.253 1.289 -6.209 917 HA3 GLY 108 HA1 GLY 108 12.563 -0.398 -6.581 918 H LEU 109 HN LEU 109 10.148 0.452 -8.619 919 HA LEU 109 HA LEU 109 11.788 0.176 -10.902 920 HB2 LEU 109 HB2 LEU 109 8.899 1.128 -10.885 921 HB3 LEU 109 HB1 LEU 109 9.751 0.324 -12.195 922 HG LEU 109 HG LEU 109 8.851 -0.919 -9.566 923 HD11 LEU 109 HD11 LEU 109 7.035 -0.628 -11.169 924 HD12 LEU 109 HD12 LEU 109 7.419 -2.336 -10.976 925 HD13 LEU 109 HD13 LEU 109 7.963 -1.470 -12.417 926 HD21 LEU 109 HD21 LEU 109 9.734 -3.071 -10.363 927 HD22 LEU 109 HD22 LEU 109 11.028 -1.895 -10.160 928 HD23 LEU 109 HD23 LEU 109 10.433 -2.280 -11.778 929 H GLU 110 HN GLU 110 13.025 1.672 -11.727 930 HA GLU 110 HA GLU 110 12.248 4.538 -11.886 931 HB2 GLU 110 HB2 GLU 110 14.725 4.876 -12.333 932 HB3 GLU 110 HB1 GLU 110 14.341 4.263 -10.727 933 HG2 GLU 110 HG2 GLU 110 14.863 1.931 -11.590 934 HG3 GLU 110 HG1 GLU 110 15.445 2.687 -13.071 935 H GLU 111 HN GLU 111 11.867 1.882 -13.578 936 HA GLU 111 HA GLU 111 12.005 3.202 -16.221 937 HB2 GLU 111 HB2 GLU 111 13.970 1.671 -16.027 938 HB3 GLU 111 HB1 GLU 111 12.902 0.341 -15.609 939 HG2 GLU 111 HG2 GLU 111 13.627 0.146 -17.909 940 HG3 GLU 111 HG1 GLU 111 11.891 0.431 -17.842 941 H MET 112 HN MET 112 10.250 2.603 -17.658 942 HA MET 112 HA MET 112 7.829 1.669 -16.486 943 HB2 MET 112 HB2 MET 112 7.599 3.081 -18.428 944 HB3 MET 112 HB1 MET 112 8.679 2.066 -19.377 945 HG2 MET 112 HG2 MET 112 7.033 0.340 -19.590 946 HG3 MET 112 HG1 MET 112 6.010 1.063 -18.351 947 HE1 MET 112 HE1 MET 112 4.241 3.935 -20.104 948 HE2 MET 112 HE2 MET 112 5.543 3.964 -18.916 949 HE3 MET 112 HE3 MET 112 4.230 2.794 -18.760 950 H THR 113 HN THR 113 7.404 -0.279 -16.015 951 HA THR 113 HA THR 113 8.967 -2.531 -17.121 952 HB THR 113 HB THR 113 7.481 -2.598 -14.462 953 HG1 THR 113 HG1 THR 113 9.400 -0.953 -14.923 954 HG21 THR 113 HG21 THR 113 9.872 -4.175 -15.499 955 HG22 THR 113 HG22 THR 113 8.222 -4.789 -15.362 956 HG23 THR 113 HG23 THR 113 9.120 -4.357 -13.908 957 H GLY 114 HN GLY 114 7.857 -4.335 -18.098 958 HA2 GLY 114 HA2 GLY 114 4.999 -4.603 -17.422 959 HA3 GLY 114 HA1 GLY 114 5.706 -4.968 -18.990 960 H PHE 115 HN PHE 115 4.157 -6.936 -17.991 961 HA PHE 115 HA PHE 115 5.870 -9.074 -17.149 962 HB2 PHE 115 HB2 PHE 115 3.660 -8.111 -15.248 963 HB3 PHE 115 HB1 PHE 115 4.621 -9.561 -15.052 964 HD1 PHE 115 HD1 PHE 115 7.096 -9.330 -14.510 965 HD2 PHE 115 HD2 PHE 115 4.393 -6.025 -14.396 966 HE1 PHE 115 HE1 PHE 115 8.645 -8.115 -13.046 967 HE2 PHE 115 HE2 PHE 115 5.946 -4.807 -12.917 968 HZ PHE 115 HZ PHE 115 8.076 -5.858 -12.237 969 H SER 116 HN SER 116 4.757 -10.887 -18.362 970 HA SER 116 HA SER 116 2.000 -11.211 -17.427 971 HB2 SER 116 HB2 SER 116 2.065 -10.143 -19.706 972 HB3 SER 116 HB1 SER 116 2.935 -11.543 -20.315 973 HG SER 116 HG SER 116 0.249 -11.251 -19.682 974 H LYS 117 HN LYS 117 1.084 -13.287 -18.127 975 HA LYS 117 HA LYS 117 2.734 -15.621 -17.630 976 HB2 LYS 117 HB2 LYS 117 -0.235 -15.152 -18.108 977 HB3 LYS 117 HB1 LYS 117 0.441 -16.762 -17.918 978 HG2 LYS 117 HG2 LYS 117 0.781 -14.615 -15.797 979 HG3 LYS 117 HG1 LYS 117 -0.632 -15.665 -15.842 980 HD2 LYS 117 HD2 LYS 117 2.256 -16.588 -15.570 981 HD3 LYS 117 HD1 LYS 117 1.074 -16.501 -14.262 982 HE2 LYS 117 HE2 LYS 117 -0.335 -18.177 -15.469 983 HE3 LYS 117 HE1 LYS 117 0.905 -18.293 -16.717 984 HZ1 LYS 117 HZ1 LYS 117 1.254 -19.003 -13.854 985 HZ2 LYS 117 HZ2 LYS 117 2.454 -19.097 -15.037 986 HZ3 LYS 117 HZ3 LYS 117 1.092 -20.093 -15.136 987 H THR 118 HN THR 118 1.956 -13.751 -20.290 988 HA THR 118 HA THR 118 1.989 -15.983 -22.231 989 HB THR 118 HB THR 118 0.708 -13.362 -23.015 990 HG1 THR 118 HG1 THR 118 -0.436 -13.435 -21.214 991 HG21 THR 118 HG21 THR 118 -0.147 -16.247 -23.401 992 HG22 THR 118 HG22 THR 118 0.756 -15.291 -24.577 993 HG23 THR 118 HG23 THR 118 -0.892 -14.831 -24.152 994 H THR 119 HN THR 119 3.028 -15.467 -24.269 995 HA THR 119 HA THR 119 5.546 -14.184 -23.933 996 HB THR 119 HB THR 119 5.313 -16.182 -25.329 997 HG1 THR 119 HG1 THR 119 6.684 -14.059 -25.998 998 HG21 THR 119 HG21 THR 119 3.069 -15.782 -26.292 999 HG22 THR 119 HG22 THR 119 4.254 -16.151 -27.543 1000 HG23 THR 119 HG23 THR 119 3.726 -14.487 -27.290 1001 H PHE 120 HN PHE 120 6.425 -12.338 -24.942 1002 HA PHE 120 HA PHE 120 5.059 -10.739 -26.856 1003 HB2 PHE 120 HB2 PHE 120 4.776 -8.668 -25.531 1004 HB3 PHE 120 HB1 PHE 120 3.769 -9.972 -24.946 1005 HD1 PHE 120 HD2 PHE 120 4.702 -11.326 -22.874 1006 HD2 PHE 120 HD1 PHE 120 6.004 -7.410 -23.969 1007 HE1 PHE 120 HE2 PHE 120 5.480 -10.935 -20.579 1008 HE2 PHE 120 HE1 PHE 120 6.774 -7.032 -21.673 1009 HZ PHE 120 HZ PHE 120 6.513 -8.785 -19.973 Start of MODEL 5 1 H MET 1 HT1 MET 1 -11.772 -8.585 -1.961 2 HA MET 1 HA MET 1 -14.662 -8.330 -2.511 3 HB2 MET 1 HB2 MET 1 -14.040 -10.526 -1.482 4 HB3 MET 1 HB1 MET 1 -13.228 -9.678 -0.177 5 HG2 MET 1 HG2 MET 1 -15.367 -8.736 0.560 6 HG3 MET 1 HG1 MET 1 -16.195 -9.561 -0.764 7 HE1 MET 1 HE1 MET 1 -17.390 -11.608 2.373 8 HE2 MET 1 HE2 MET 1 -17.903 -10.693 0.958 9 HE3 MET 1 HE3 MET 1 -17.109 -9.869 2.302 10 H LYS 2 HN LYS 2 -15.660 -6.682 -1.435 11 HA LYS 2 HA LYS 2 -16.011 -4.687 -0.515 12 HB2 LYS 2 HB2 LYS 2 -13.622 -5.267 1.297 13 HB3 LYS 2 HB1 LYS 2 -14.753 -3.934 1.507 14 HG2 LYS 2 HG2 LYS 2 -16.589 -5.682 1.728 15 HG3 LYS 2 HG1 LYS 2 -15.314 -6.897 1.795 16 HD2 LYS 2 HD2 LYS 2 -15.728 -4.609 3.772 17 HD3 LYS 2 HD1 LYS 2 -16.115 -6.303 4.048 18 HE2 LYS 2 HE2 LYS 2 -14.088 -6.148 5.161 19 HE3 LYS 2 HE1 LYS 2 -13.523 -6.649 3.571 20 HZ1 LYS 2 HZ1 LYS 2 -12.185 -4.871 4.382 21 HZ2 LYS 2 HZ2 LYS 2 -13.532 -3.894 4.671 22 HZ3 LYS 2 HZ3 LYS 2 -13.095 -4.286 3.086 23 H GLU 3 HN GLU 3 -12.416 -4.772 -0.439 24 HA GLU 3 HA GLU 3 -10.780 -3.597 -1.451 25 HB2 GLU 3 HB2 GLU 3 -12.911 -2.963 -3.537 26 HB3 GLU 3 HB1 GLU 3 -11.209 -2.539 -3.709 27 HG2 GLU 3 HG2 GLU 3 -10.635 -4.975 -3.593 28 HG3 GLU 3 HG1 GLU 3 -12.364 -5.344 -3.537 29 H VAL 4 HN VAL 4 -12.676 -2.381 0.497 30 HA VAL 4 HA VAL 4 -12.304 0.507 -0.078 31 HB VAL 4 HB VAL 4 -14.342 0.946 1.266 32 HG11 VAL 4 HG11 VAL 4 -14.594 0.754 -1.174 33 HG12 VAL 4 HG12 VAL 4 -16.037 0.153 -0.357 34 HG13 VAL 4 HG13 VAL 4 -14.867 -0.986 -1.027 35 HG21 VAL 4 HG21 VAL 4 -15.872 -0.917 1.915 36 HG22 VAL 4 HG22 VAL 4 -14.326 -0.985 2.761 37 HG23 VAL 4 HG23 VAL 4 -14.641 -2.084 1.413 38 H GLU 5 HN GLU 5 -10.439 -1.422 1.316 39 HA GLU 5 HA GLU 5 -10.575 -0.916 4.101 40 HB2 GLU 5 HB2 GLU 5 -8.279 -1.961 2.391 41 HB3 GLU 5 HB1 GLU 5 -8.309 -1.953 4.147 42 HG2 GLU 5 HG2 GLU 5 -8.787 -4.174 3.418 43 HG3 GLU 5 HG1 GLU 5 -10.264 -3.494 4.104 44 H LYS 6 HN LYS 6 -9.660 0.990 1.502 45 HA LYS 6 HA LYS 6 -7.655 2.678 2.427 46 HB2 LYS 6 HB2 LYS 6 -10.169 3.376 0.850 47 HB3 LYS 6 HB1 LYS 6 -8.872 4.524 1.134 48 HG2 LYS 6 HG2 LYS 6 -8.559 3.717 -1.066 49 HG3 LYS 6 HG1 LYS 6 -7.321 2.929 -0.088 50 HD2 LYS 6 HD2 LYS 6 -8.704 0.865 -0.029 51 HD3 LYS 6 HD1 LYS 6 -9.933 1.671 -1.007 52 HE2 LYS 6 HE2 LYS 6 -8.305 1.903 -2.856 53 HE3 LYS 6 HE1 LYS 6 -7.076 1.099 -1.877 54 HZ1 LYS 6 HZ1 LYS 6 -8.066 -0.449 -3.397 55 HZ2 LYS 6 HZ2 LYS 6 -9.619 -0.093 -2.837 56 HZ3 LYS 6 HZ3 LYS 6 -8.512 -0.864 -1.824 57 H ASN 7 HN ASN 7 -11.013 2.410 3.463 58 HA ASN 7 HA ASN 7 -11.138 4.835 5.013 59 HB2 ASN 7 HB2 ASN 7 -12.875 2.322 5.011 60 HB3 ASN 7 HB1 ASN 7 -13.234 3.752 5.964 61 HD21 ASN 7 HD21 ASN 7 -13.351 2.339 2.807 62 HD22 ASN 7 HD22 ASN 7 -14.181 3.638 2.037 63 H GLU 8 HN GLU 8 -10.535 1.416 5.636 64 HA GLU 8 HA GLU 8 -10.157 1.535 8.428 65 HB2 GLU 8 HB2 GLU 8 -9.174 -0.476 6.362 66 HB3 GLU 8 HB1 GLU 8 -8.834 -0.664 8.075 67 HG2 GLU 8 HG2 GLU 8 -10.676 -2.042 7.696 68 HG3 GLU 8 HG1 GLU 8 -11.354 -0.611 8.455 69 H ILE 9 HN ILE 9 -7.704 1.735 5.799 70 HA ILE 9 HA ILE 9 -5.473 2.007 7.501 71 HB ILE 9 HB ILE 9 -5.739 3.007 4.631 72 HG12 ILE 9 HG12 ILE 9 -6.232 0.571 4.821 73 HG13 ILE 9 HG11 ILE 9 -4.733 0.850 3.950 74 HG21 ILE 9 HG21 ILE 9 -3.248 2.823 4.552 75 HG22 ILE 9 HG22 ILE 9 -3.232 2.457 6.278 76 HG23 ILE 9 HG23 ILE 9 -3.799 4.029 5.715 77 HD11 ILE 9 HD11 ILE 9 -4.576 -1.058 5.465 78 HD12 ILE 9 HD12 ILE 9 -4.947 -0.022 6.841 79 HD13 ILE 9 HD13 ILE 9 -3.445 0.210 5.936 80 H LYS 10 HN LYS 10 -7.644 4.401 6.046 81 HA LYS 10 HA LYS 10 -6.430 6.794 6.897 82 HB2 LYS 10 HB2 LYS 10 -8.317 6.755 5.335 83 HB3 LYS 10 HB1 LYS 10 -9.369 6.070 6.564 84 HG2 LYS 10 HG2 LYS 10 -9.043 8.240 7.885 85 HG3 LYS 10 HG1 LYS 10 -8.246 8.888 6.448 86 HD2 LYS 10 HD2 LYS 10 -10.607 9.583 6.493 87 HD3 LYS 10 HD1 LYS 10 -10.311 8.507 5.127 88 HE2 LYS 10 HE2 LYS 10 -11.213 6.602 6.540 89 HE3 LYS 10 HE1 LYS 10 -11.672 7.801 7.752 90 HZ1 LYS 10 HZ1 LYS 10 -12.642 7.672 4.952 91 HZ2 LYS 10 HZ2 LYS 10 -13.069 8.858 6.080 92 HZ3 LYS 10 HZ3 LYS 10 -13.516 7.254 6.340 93 H ARG 11 HN ARG 11 -8.880 4.829 8.453 94 HA ARG 11 HA ARG 11 -9.274 5.982 10.895 95 HB2 ARG 11 HB2 ARG 11 -10.517 4.056 10.099 96 HB3 ARG 11 HB1 ARG 11 -9.098 3.029 10.242 97 HG2 ARG 11 HG2 ARG 11 -9.170 3.291 12.704 98 HG3 ARG 11 HG1 ARG 11 -10.623 4.289 12.542 99 HD2 ARG 11 HD2 ARG 11 -10.319 1.355 11.789 100 HD3 ARG 11 HD1 ARG 11 -11.296 2.026 13.100 101 HE ARG 11 HE ARG 11 -12.474 3.241 11.106 102 HH11 ARG 11 HH11 ARG 11 -11.424 -0.112 11.130 103 HH12 ARG 11 HH12 ARG 11 -12.637 -0.599 9.988 104 HH21 ARG 11 HH21 ARG 11 -14.012 2.584 9.625 105 HH22 ARG 11 HH22 ARG 11 -14.096 0.925 9.130 106 H LEU 12 HN LEU 12 -6.789 3.386 10.386 107 HA LEU 12 HA LEU 12 -5.664 3.701 12.985 108 HB2 LEU 12 HB2 LEU 12 -3.871 2.181 12.224 109 HB3 LEU 12 HB1 LEU 12 -5.481 1.590 11.882 110 HG LEU 12 HG LEU 12 -4.951 2.677 9.461 111 HD11 LEU 12 HD11 LEU 12 -2.649 2.308 8.746 112 HD12 LEU 12 HD12 LEU 12 -2.180 1.900 10.398 113 HD13 LEU 12 HD13 LEU 12 -2.732 3.532 10.014 114 HD21 LEU 12 HD21 LEU 12 -5.629 0.363 9.814 115 HD22 LEU 12 HD22 LEU 12 -3.986 -0.072 10.301 116 HD23 LEU 12 HD23 LEU 12 -4.312 0.458 8.648 117 H SER 13 HN SER 13 -4.588 4.973 9.831 118 HA SER 13 HA SER 13 -2.423 6.476 10.489 119 HB2 SER 13 HB2 SER 13 -3.368 6.384 8.211 120 HB3 SER 13 HB1 SER 13 -4.720 7.393 8.720 121 HG SER 13 HG SER 13 -2.553 8.248 7.704 122 H ASP 14 HN ASP 14 -5.803 7.657 10.761 123 HA ASP 14 HA ASP 14 -5.432 10.071 12.058 124 HB2 ASP 14 HB2 ASP 14 -7.586 9.314 11.077 125 HB3 ASP 14 HB1 ASP 14 -7.719 8.058 12.295 126 H ARG 15 HN ARG 15 -5.734 6.873 13.352 127 HA ARG 15 HA ARG 15 -5.889 7.358 16.136 128 HB2 ARG 15 HB2 ARG 15 -6.116 5.076 14.940 129 HB3 ARG 15 HB1 ARG 15 -4.360 4.966 15.026 130 HG2 ARG 15 HG2 ARG 15 -5.265 3.731 16.882 131 HG3 ARG 15 HG1 ARG 15 -4.530 5.204 17.532 132 HD2 ARG 15 HD2 ARG 15 -6.717 4.750 18.579 133 HD3 ARG 15 HD1 ARG 15 -6.744 6.269 17.682 134 HE ARG 15 HE ARG 15 -7.873 3.718 16.647 135 HH11 ARG 15 HH11 ARG 15 -8.190 7.192 17.094 136 HH12 ARG 15 HH12 ARG 15 -9.640 7.291 16.152 137 HH21 ARG 15 HH21 ARG 15 -9.748 3.905 15.383 138 HH22 ARG 15 HH22 ARG 15 -10.511 5.450 15.195 139 H LEU 16 HN LEU 16 -2.963 6.560 14.242 140 HA LEU 16 HA LEU 16 -1.119 7.092 16.325 141 HB2 LEU 16 HB2 LEU 16 -0.839 5.618 14.211 142 HB3 LEU 16 HB1 LEU 16 -0.480 7.099 13.349 143 HG LEU 16 HG LEU 16 1.537 5.720 14.048 144 HD11 LEU 16 HD11 LEU 16 1.821 8.083 13.483 145 HD12 LEU 16 HD12 LEU 16 2.960 7.561 14.719 146 HD13 LEU 16 HD13 LEU 16 1.554 8.528 15.171 147 HD21 LEU 16 HD21 LEU 16 0.741 4.961 16.240 148 HD22 LEU 16 HD22 LEU 16 0.848 6.608 16.868 149 HD23 LEU 16 HD23 LEU 16 2.310 5.753 16.368 150 H ASP 17 HN ASP 17 -2.326 9.100 13.583 151 HA ASP 17 HA ASP 17 -0.720 11.319 13.756 152 HB2 ASP 17 HB2 ASP 17 -2.326 10.868 11.937 153 HB3 ASP 17 HB1 ASP 17 -3.677 11.099 13.040 154 H ALA 18 HN ALA 18 -4.005 11.092 15.174 155 HA ALA 18 HA ALA 18 -3.944 13.179 16.925 156 HB1 ALA 18 HB1 ALA 18 -5.955 11.869 16.451 157 HB2 ALA 18 HB2 ALA 18 -5.714 12.055 18.190 158 HB3 ALA 18 HB3 ALA 18 -5.315 10.526 17.401 159 H ILE 19 HN ILE 19 -2.374 10.031 17.367 160 HA ILE 19 HA ILE 19 -1.844 10.435 20.195 161 HB ILE 19 HB ILE 19 -0.718 8.397 18.242 162 HG12 ILE 19 HG12 ILE 19 -2.497 8.237 20.718 163 HG13 ILE 19 HG11 ILE 19 -2.959 7.915 19.052 164 HG21 ILE 19 HG21 ILE 19 0.576 7.349 20.087 165 HG22 ILE 19 HG22 ILE 19 0.160 8.696 21.149 166 HG23 ILE 19 HG23 ILE 19 1.172 8.970 19.731 167 HD11 ILE 19 HD11 ILE 19 -2.772 5.857 20.264 168 HD12 ILE 19 HD12 ILE 19 -1.127 6.240 20.762 169 HD13 ILE 19 HD13 ILE 19 -1.487 5.940 19.062 170 H ARG 20 HN ARG 20 0.217 10.832 17.243 171 HA ARG 20 HA ARG 20 2.428 11.833 18.638 172 HB2 ARG 20 HB2 ARG 20 3.408 12.280 16.494 173 HB3 ARG 20 HB1 ARG 20 2.533 10.762 16.384 174 HG2 ARG 20 HG2 ARG 20 1.125 11.531 14.761 175 HG3 ARG 20 HG1 ARG 20 0.911 13.091 15.549 176 HD2 ARG 20 HD2 ARG 20 3.211 12.269 13.749 177 HD3 ARG 20 HD1 ARG 20 1.949 13.453 13.390 178 HE ARG 20 HE ARG 20 4.350 13.850 14.944 179 HH11 ARG 20 HH11 ARG 20 1.088 15.092 14.535 180 HH12 ARG 20 HH12 ARG 20 1.497 16.668 15.125 181 HH21 ARG 20 HH21 ARG 20 4.832 15.896 15.781 182 HH22 ARG 20 HH22 ARG 20 3.604 17.123 15.836 183 H HIS 21 HN HIS 21 -0.371 13.627 17.116 184 HA HIS 21 HA HIS 21 0.579 16.189 17.615 185 HB2 HIS 21 HB2 HIS 21 -1.371 15.607 16.173 186 HB3 HIS 21 HB1 HIS 21 -2.280 15.135 17.592 187 HD1 HIS 21 HD1 HIS 21 -3.643 16.933 18.681 188 HD2 HIS 21 HD2 HIS 21 -0.747 18.492 16.147 189 HE1 HIS 21 HE1 HIS 21 -4.073 19.399 18.604 190 HE2 HIS 21 HE2 HIS 21 -2.196 20.338 17.222 191 H GLN 22 HN GLN 22 -1.376 14.031 19.449 192 HA GLN 22 HA GLN 22 -1.761 15.506 21.837 193 HB2 GLN 22 HB2 GLN 22 -3.076 13.629 21.848 194 HB3 GLN 22 HB1 GLN 22 -1.864 12.631 21.061 195 HG2 GLN 22 HG2 GLN 22 -0.683 12.407 23.224 196 HG3 GLN 22 HG1 GLN 22 -1.974 13.338 23.995 197 HE21 GLN 22 HE21 GLN 22 -1.285 10.389 22.188 198 HE22 GLN 22 HE22 GLN 22 -2.633 9.481 22.777 199 H GLN 23 HN GLN 23 1.019 13.533 20.776 200 HA GLN 23 HA GLN 23 2.573 14.171 23.138 201 HB2 GLN 23 HB2 GLN 23 3.037 12.529 20.655 202 HB3 GLN 23 HB1 GLN 23 4.418 13.039 21.624 203 HG2 GLN 23 HG2 GLN 23 3.315 11.977 23.614 204 HG3 GLN 23 HG1 GLN 23 2.109 11.305 22.510 205 HE21 GLN 23 HE21 GLN 23 4.388 10.123 24.198 206 HE22 GLN 23 HE22 GLN 23 5.221 9.105 23.081 207 H ALA 24 HN ALA 24 2.169 15.593 19.939 208 HA ALA 24 HA ALA 24 4.330 17.370 20.125 209 HB1 ALA 24 HB1 ALA 24 2.966 17.170 18.087 210 HB2 ALA 24 HB2 ALA 24 3.097 18.851 18.613 211 HB3 ALA 24 HB3 ALA 24 1.613 17.943 18.912 212 H ASP 25 HN ASP 25 0.887 17.926 21.288 213 HA ASP 25 HA ASP 25 1.376 20.198 22.792 214 HB2 ASP 25 HB2 ASP 25 -0.638 17.936 23.193 215 HB3 ASP 25 HB1 ASP 25 -0.704 19.486 24.030 216 H LEU 26 HN LEU 26 2.183 16.871 23.445 217 HA LEU 26 HA LEU 26 2.931 17.575 26.234 218 HB2 LEU 26 HB2 LEU 26 2.638 14.799 25.036 219 HB3 LEU 26 HB1 LEU 26 3.071 15.161 26.702 220 HG LEU 26 HG LEU 26 0.383 15.588 25.347 221 HD11 LEU 26 HD11 LEU 26 -0.486 14.156 27.128 222 HD12 LEU 26 HD12 LEU 26 1.141 13.972 27.789 223 HD13 LEU 26 HD13 LEU 26 0.760 13.345 26.186 224 HD21 LEU 26 HD21 LEU 26 -0.451 16.607 27.433 225 HD22 LEU 26 HD22 LEU 26 0.768 17.604 26.648 226 HD23 LEU 26 HD23 LEU 26 1.196 16.649 28.071 227 H SER 27 HN SER 27 4.908 16.751 27.073 228 HA SER 27 HA SER 27 6.993 15.944 25.186 229 HB2 SER 27 HB2 SER 27 7.146 18.428 26.927 230 HB3 SER 27 HB1 SER 27 8.572 17.667 26.238 231 HG SER 27 HG SER 27 6.635 18.093 24.369 232 H LEU 28 HN LEU 28 9.009 15.315 26.418 233 HA LEU 28 HA LEU 28 8.200 13.292 28.263 234 HB2 LEU 28 HB2 LEU 28 9.922 13.038 26.454 235 HB3 LEU 28 HB1 LEU 28 11.004 14.062 27.369 236 HG LEU 28 HG LEU 28 11.392 11.505 27.435 237 HD11 LEU 28 HD11 LEU 28 11.235 12.917 30.101 238 HD12 LEU 28 HD12 LEU 28 12.569 13.003 28.952 239 HD13 LEU 28 HD13 LEU 28 12.183 11.472 29.730 240 HD21 LEU 28 HD21 LEU 28 10.114 10.192 29.053 241 HD22 LEU 28 HD22 LEU 28 9.056 10.814 27.792 242 HD23 LEU 28 HD23 LEU 28 9.066 11.572 29.385 243 H VAL 29 HN VAL 29 10.101 16.274 28.565 244 HA VAL 29 HA VAL 29 10.956 15.899 31.245 245 HB VAL 29 HB VAL 29 10.660 18.503 29.673 246 HG11 VAL 29 HG11 VAL 29 12.240 17.996 32.228 247 HG12 VAL 29 HG12 VAL 29 10.794 18.995 32.082 248 HG13 VAL 29 HG13 VAL 29 12.285 19.487 31.277 249 HG21 VAL 29 HG21 VAL 29 13.099 16.729 30.089 250 HG22 VAL 29 HG22 VAL 29 13.088 18.271 29.228 251 HG23 VAL 29 HG23 VAL 29 12.182 16.898 28.590 252 H GLU 30 HN GLU 30 8.120 17.520 29.851 253 HA GLU 30 HA GLU 30 7.184 18.568 32.390 254 HB2 GLU 30 HB2 GLU 30 5.243 19.381 31.087 255 HB3 GLU 30 HB1 GLU 30 6.763 19.825 30.324 256 HG2 GLU 30 HG2 GLU 30 6.503 17.981 28.725 257 HG3 GLU 30 HG1 GLU 30 4.989 17.510 29.496 258 H ALA 31 HN ALA 31 6.409 15.788 30.332 259 HA ALA 31 HA ALA 31 4.600 14.718 32.426 260 HB1 ALA 31 HB1 ALA 31 3.227 15.572 30.543 261 HB2 ALA 31 HB2 ALA 31 3.124 13.816 30.667 262 HB3 ALA 31 HB3 ALA 31 4.129 14.554 29.419 263 H ALA 32 HN ALA 32 6.531 13.627 33.144 264 HA ALA 32 HA ALA 32 8.267 12.079 31.631 265 HB1 ALA 32 HB1 ALA 32 7.482 11.648 34.534 266 HB2 ALA 32 HB2 ALA 32 8.727 12.759 33.961 267 HB3 ALA 32 HB3 ALA 32 8.936 11.019 33.756 268 H ASP 33 HN ASP 33 5.583 10.916 33.619 269 HA ASP 33 HA ASP 33 5.610 8.252 32.645 270 HB2 ASP 33 HB2 ASP 33 4.712 8.814 34.878 271 HB3 ASP 33 HB1 ASP 33 3.411 9.743 34.140 272 H LYS 34 HN LYS 34 3.019 10.737 32.239 273 HA LYS 34 HA LYS 34 1.375 9.458 30.508 274 HB2 LYS 34 HB2 LYS 34 0.920 11.647 31.583 275 HB3 LYS 34 HB1 LYS 34 2.015 12.428 30.455 276 HG2 LYS 34 HG2 LYS 34 -0.268 12.831 29.767 277 HG3 LYS 34 HG1 LYS 34 0.527 11.793 28.578 278 HD2 LYS 34 HD2 LYS 34 -0.578 9.811 29.618 279 HD3 LYS 34 HD1 LYS 34 -1.414 10.887 30.742 280 HE2 LYS 34 HE2 LYS 34 -1.695 10.927 27.714 281 HE3 LYS 34 HE1 LYS 34 -2.859 10.231 28.842 282 HZ1 LYS 34 HZ1 LYS 34 -3.565 12.405 28.169 283 HZ2 LYS 34 HZ2 LYS 34 -2.096 13.092 28.640 284 HZ3 LYS 34 HZ3 LYS 34 -3.141 12.454 29.805 285 H TYR 35 HN TYR 35 4.149 11.452 29.521 286 HA TYR 35 HA TYR 35 3.775 11.131 26.683 287 HB2 TYR 35 HB2 TYR 35 5.114 13.012 27.706 288 HB3 TYR 35 HB1 TYR 35 6.367 11.855 28.112 289 HD1 TYR 35 HD1 TYR 35 4.693 13.602 25.281 290 HD2 TYR 35 HD2 TYR 35 7.923 11.048 26.420 291 HE1 TYR 35 HE1 TYR 35 5.745 13.940 23.095 292 HE2 TYR 35 HE2 TYR 35 8.973 11.409 24.243 293 HH TYR 35 HH TYR 35 8.292 12.035 21.964 294 H ALA 36 HN ALA 36 5.688 9.407 29.133 295 HA ALA 36 HA ALA 36 7.196 7.727 27.423 296 HB1 ALA 36 HB1 ALA 36 7.776 8.072 29.786 297 HB2 ALA 36 HB2 ALA 36 7.613 6.354 29.414 298 HB3 ALA 36 HB3 ALA 36 6.323 7.201 30.278 299 H GLU 37 HN GLU 37 4.097 7.145 29.091 300 HA GLU 37 HA GLU 37 3.582 4.597 28.121 301 HB2 GLU 37 HB2 GLU 37 1.477 6.679 28.825 302 HB3 GLU 37 HB1 GLU 37 1.281 4.925 28.852 303 HG2 GLU 37 HG2 GLU 37 2.933 6.640 30.722 304 HG3 GLU 37 HG1 GLU 37 1.495 5.707 31.105 305 H LEU 38 HN LEU 38 2.316 7.638 26.999 306 HA LEU 38 HA LEU 38 1.230 6.898 24.560 307 HB2 LEU 38 HB2 LEU 38 2.762 9.440 25.122 308 HB3 LEU 38 HB1 LEU 38 1.807 9.175 23.667 309 HG LEU 38 HG LEU 38 0.720 9.196 26.502 310 HD11 LEU 38 HD11 LEU 38 1.370 11.415 25.790 311 HD12 LEU 38 HD12 LEU 38 -0.385 11.288 25.872 312 HD13 LEU 38 HD13 LEU 38 0.432 11.250 24.305 313 HD21 LEU 38 HD21 LEU 38 -0.774 8.867 23.875 314 HD22 LEU 38 HD22 LEU 38 -1.517 9.080 25.462 315 HD23 LEU 38 HD23 LEU 38 -0.563 7.640 25.128 316 H GLU 39 HN GLU 39 4.705 7.518 25.066 317 HA GLU 39 HA GLU 39 5.694 6.750 22.549 318 HB2 GLU 39 HB2 GLU 39 6.916 6.547 25.319 319 HB3 GLU 39 HB1 GLU 39 7.800 5.998 23.904 320 HG2 GLU 39 HG2 GLU 39 6.776 8.820 24.362 321 HG3 GLU 39 HG1 GLU 39 8.437 8.275 24.603 322 H LYS 40 HN LYS 40 4.733 4.796 25.224 323 HA LYS 40 HA LYS 40 5.598 2.218 24.180 324 HB2 LYS 40 HB2 LYS 40 3.507 2.764 26.322 325 HB3 LYS 40 HB1 LYS 40 4.207 1.182 25.969 326 HG2 LYS 40 HG2 LYS 40 6.420 1.986 26.656 327 HG3 LYS 40 HG1 LYS 40 5.774 3.599 26.918 328 HD2 LYS 40 HD2 LYS 40 4.318 2.738 28.723 329 HD3 LYS 40 HD1 LYS 40 4.972 1.113 28.480 330 HE2 LYS 40 HE2 LYS 40 6.002 2.275 30.409 331 HE3 LYS 40 HE1 LYS 40 7.198 1.893 29.168 332 HZ1 LYS 40 HZ1 LYS 40 7.483 4.123 30.037 333 HZ2 LYS 40 HZ2 LYS 40 5.900 4.525 29.601 334 HZ3 LYS 40 HZ3 LYS 40 7.051 4.187 28.404 335 H GLU 41 HN GLU 41 2.385 3.682 24.497 336 HA GLU 41 HA GLU 41 0.761 2.081 22.977 337 HB2 GLU 41 HB2 GLU 41 0.686 5.129 23.146 338 HB3 GLU 41 HB1 GLU 41 -0.626 4.132 22.514 339 HG2 GLU 41 HG2 GLU 41 0.417 4.179 25.360 340 HG3 GLU 41 HG1 GLU 41 -1.118 4.823 24.785 341 H LYS 42 HN LYS 42 2.803 4.709 21.927 342 HA LYS 42 HA LYS 42 2.284 4.592 19.132 343 HB2 LYS 42 HB2 LYS 42 3.426 6.552 20.118 344 HB3 LYS 42 HB1 LYS 42 4.805 5.551 20.561 345 HG2 LYS 42 HG2 LYS 42 5.142 5.070 18.087 346 HG3 LYS 42 HG1 LYS 42 3.909 6.289 17.752 347 HD2 LYS 42 HD2 LYS 42 6.506 6.792 19.264 348 HD3 LYS 42 HD1 LYS 42 6.255 7.138 17.549 349 HE2 LYS 42 HE2 LYS 42 4.551 8.779 18.087 350 HE3 LYS 42 HE1 LYS 42 4.629 8.359 19.796 351 HZ1 LYS 42 HZ1 LYS 42 5.840 10.366 19.333 352 HZ2 LYS 42 HZ2 LYS 42 6.834 9.564 18.227 353 HZ3 LYS 42 HZ3 LYS 42 6.892 9.154 19.869 354 H ALA 43 HN ALA 43 5.069 3.392 20.976 355 HA ALA 43 HA ALA 43 6.567 2.048 19.122 356 HB1 ALA 43 HB1 ALA 43 7.299 2.406 21.448 357 HB2 ALA 43 HB2 ALA 43 7.549 0.730 20.952 358 HB3 ALA 43 HB3 ALA 43 6.187 1.151 21.996 359 H THR 44 HN THR 44 3.994 0.635 20.998 360 HA THR 44 HA THR 44 3.951 -1.958 19.831 361 HB THR 44 HB THR 44 1.694 -0.570 21.347 362 HG1 THR 44 HG1 THR 44 3.019 -0.689 22.988 363 HG21 THR 44 HG21 THR 44 0.968 -2.677 20.234 364 HG22 THR 44 HG22 THR 44 1.009 -2.873 21.986 365 HG23 THR 44 HG23 THR 44 2.304 -3.542 20.993 366 H LEU 45 HN LEU 45 1.777 0.853 19.429 367 HA LEU 45 HA LEU 45 0.180 -0.083 17.373 368 HB2 LEU 45 HB2 LEU 45 1.078 2.719 17.970 369 HB3 LEU 45 HB1 LEU 45 0.340 2.433 16.405 370 HG LEU 45 HG LEU 45 -0.960 2.127 19.137 371 HD11 LEU 45 HD11 LEU 45 -2.554 3.765 18.267 372 HD12 LEU 45 HD12 LEU 45 -1.689 3.814 16.729 373 HD13 LEU 45 HD13 LEU 45 -0.906 4.392 18.201 374 HD21 LEU 45 HD21 LEU 45 -2.105 1.230 16.468 375 HD22 LEU 45 HD22 LEU 45 -2.993 1.318 17.992 376 HD23 LEU 45 HD23 LEU 45 -1.657 0.185 17.821 377 H GLU 46 HN GLU 46 3.356 1.472 16.947 378 HA GLU 46 HA GLU 46 3.676 1.157 14.228 379 HB2 GLU 46 HB2 GLU 46 5.834 1.049 16.370 380 HB3 GLU 46 HB1 GLU 46 6.103 1.350 14.655 381 HG2 GLU 46 HG2 GLU 46 4.797 3.443 14.825 382 HG3 GLU 46 HG1 GLU 46 4.528 3.136 16.533 383 H ALA 47 HN ALA 47 5.574 -0.835 16.472 384 HA ALA 47 HA ALA 47 6.266 -3.100 15.406 385 HB1 ALA 47 HB1 ALA 47 6.358 -2.681 17.833 386 HB2 ALA 47 HB2 ALA 47 5.807 -4.320 17.494 387 HB3 ALA 47 HB3 ALA 47 4.642 -3.081 17.976 388 H GLU 48 HN GLU 48 2.873 -2.857 16.455 389 HA GLU 48 HA GLU 48 1.754 -5.089 15.232 390 HB2 GLU 48 HB2 GLU 48 0.593 -3.695 16.930 391 HB3 GLU 48 HB1 GLU 48 0.514 -2.353 15.802 392 HG2 GLU 48 HG2 GLU 48 -1.639 -3.201 15.711 393 HG3 GLU 48 HG1 GLU 48 -0.884 -3.941 14.306 394 H ILE 49 HN ILE 49 1.334 -1.808 14.116 395 HA ILE 49 HA ILE 49 0.266 -2.478 11.564 396 HB ILE 49 HB ILE 49 0.307 -0.186 10.839 397 HG12 ILE 49 HG12 ILE 49 2.212 0.397 13.157 398 HG13 ILE 49 HG11 ILE 49 2.638 0.421 11.448 399 HG21 ILE 49 HG21 ILE 49 -1.400 -0.744 12.519 400 HG22 ILE 49 HG22 ILE 49 -0.897 0.937 12.685 401 HG23 ILE 49 HG23 ILE 49 -0.300 -0.276 13.817 402 HD11 ILE 49 HD11 ILE 49 0.718 2.290 12.824 403 HD12 ILE 49 HD12 ILE 49 1.170 2.339 11.117 404 HD13 ILE 49 HD13 ILE 49 2.380 2.650 12.363 405 H ALA 50 HN ALA 50 3.470 -2.866 12.396 406 HA ALA 50 HA ALA 50 4.572 -2.233 9.729 407 HB1 ALA 50 HB1 ALA 50 5.997 -2.314 12.409 408 HB2 ALA 50 HB2 ALA 50 5.585 -0.854 11.507 409 HB3 ALA 50 HB3 ALA 50 6.760 -1.998 10.848 410 H ARG 51 HN ARG 51 4.535 -4.401 12.411 411 HA ARG 51 HA ARG 51 5.512 -6.801 11.246 412 HB2 ARG 51 HB2 ARG 51 4.735 -6.681 13.654 413 HB3 ARG 51 HB1 ARG 51 3.077 -6.777 13.080 414 HG2 ARG 51 HG2 ARG 51 3.816 -8.961 13.854 415 HG3 ARG 51 HG1 ARG 51 3.556 -9.012 12.106 416 HD2 ARG 51 HD2 ARG 51 6.026 -8.699 11.783 417 HD3 ARG 51 HD1 ARG 51 6.229 -8.783 13.537 418 HE ARG 51 HE ARG 51 4.919 -11.087 12.970 419 HH11 ARG 51 HH11 ARG 51 7.884 -9.687 11.668 420 HH12 ARG 51 HH12 ARG 51 8.546 -11.231 11.251 421 HH21 ARG 51 HH21 ARG 51 5.831 -13.088 12.443 422 HH22 ARG 51 HH22 ARG 51 7.394 -13.152 11.689 423 H LEU 52 HN LEU 52 2.315 -5.518 11.263 424 HA LEU 52 HA LEU 52 0.988 -7.081 9.378 425 HB2 LEU 52 HB2 LEU 52 0.551 -4.325 10.472 426 HB3 LEU 52 HB1 LEU 52 -0.293 -4.696 8.986 427 HG LEU 52 HG LEU 52 -1.708 -5.059 10.988 428 HD11 LEU 52 HD11 LEU 52 -1.098 -7.627 9.499 429 HD12 LEU 52 HD12 LEU 52 -2.179 -6.339 8.960 430 HD13 LEU 52 HD13 LEU 52 -2.571 -7.265 10.404 431 HD21 LEU 52 HD21 LEU 52 0.268 -7.244 11.733 432 HD22 LEU 52 HD22 LEU 52 -1.289 -6.947 12.514 433 HD23 LEU 52 HD23 LEU 52 -0.014 -5.738 12.611 434 H ARG 53 HN ARG 53 2.889 -4.050 8.838 435 HA ARG 53 HA ARG 53 2.659 -4.366 5.949 436 HB2 ARG 53 HB2 ARG 53 3.882 -2.239 7.714 437 HB3 ARG 53 HB1 ARG 53 4.056 -2.213 5.960 438 HG2 ARG 53 HG2 ARG 53 1.643 -2.029 5.666 439 HG3 ARG 53 HG1 ARG 53 1.376 -2.205 7.404 440 HD2 ARG 53 HD2 ARG 53 1.219 0.152 6.639 441 HD3 ARG 53 HD1 ARG 53 2.496 -0.090 7.839 442 HE ARG 53 HE ARG 53 3.514 -0.301 5.176 443 HH11 ARG 53 HH11 ARG 53 2.507 2.084 7.539 444 HH12 ARG 53 HH12 ARG 53 3.528 3.328 6.897 445 HH21 ARG 53 HH21 ARG 53 4.858 1.344 4.357 446 HH22 ARG 53 HH22 ARG 53 4.857 2.912 5.096 447 H GLU 54 HN GLU 54 4.830 -5.821 8.109 448 HA GLU 54 HA GLU 54 6.913 -5.987 5.999 449 HB2 GLU 54 HB2 GLU 54 8.388 -7.041 7.565 450 HB3 GLU 54 HB1 GLU 54 7.669 -5.669 8.402 451 HG2 GLU 54 HG2 GLU 54 6.087 -7.244 9.519 452 HG3 GLU 54 HG1 GLU 54 6.914 -8.586 8.736 453 H VAL 55 HN VAL 55 4.502 -7.702 7.634 454 HA VAL 55 HA VAL 55 4.676 -10.192 6.142 455 HB VAL 55 HB VAL 55 2.288 -8.982 7.628 456 HG11 VAL 55 HG11 VAL 55 1.398 -10.311 5.754 457 HG12 VAL 55 HG12 VAL 55 1.118 -11.154 7.278 458 HG13 VAL 55 HG13 VAL 55 2.424 -11.673 6.208 459 HG21 VAL 55 HG21 VAL 55 2.681 -10.848 9.216 460 HG22 VAL 55 HG22 VAL 55 4.132 -9.859 9.049 461 HG23 VAL 55 HG23 VAL 55 4.030 -11.419 8.228 462 H HIS 56 HN HIS 56 2.836 -7.064 5.692 463 HA HIS 56 HA HIS 56 2.691 -7.604 2.849 464 HB2 HIS 56 HB2 HIS 56 1.901 -5.202 4.555 465 HB3 HIS 56 HB1 HIS 56 1.661 -5.289 2.815 466 HD1 HIS 56 HD1 HIS 56 -0.890 -5.109 3.016 467 HD2 HIS 56 HD2 HIS 56 0.677 -8.381 5.051 468 HE1 HIS 56 HE1 HIS 56 -2.873 -6.498 3.683 469 HE2 HIS 56 HE2 HIS 56 -1.903 -8.425 4.990 470 H SER 57 HN SER 57 5.476 -7.528 3.773 471 HA SER 57 HA SER 57 6.403 -5.541 1.793 472 HB2 SER 57 HB2 SER 57 6.976 -4.533 3.997 473 HB3 SER 57 HB1 SER 57 7.862 -5.991 4.439 474 HG SER 57 HG SER 57 9.502 -5.053 3.508 475 H GLN 58 HN GLN 58 7.738 -8.075 3.927 476 HA GLN 58 HA GLN 58 9.385 -9.447 2.154 477 HB2 GLN 58 HB2 GLN 58 7.591 -10.772 4.235 478 HB3 GLN 58 HB1 GLN 58 9.130 -11.379 3.628 479 HG2 GLN 58 HG2 GLN 58 10.364 -9.753 4.875 480 HG3 GLN 58 HG1 GLN 58 8.914 -8.801 5.213 481 HE21 GLN 58 HE21 GLN 58 9.094 -8.895 7.443 482 HE22 GLN 58 HE22 GLN 58 8.847 -10.345 8.347 483 H LYS 59 HN LYS 59 5.929 -9.775 2.814 484 HA LYS 59 HA LYS 59 5.493 -11.270 0.293 485 HB2 LYS 59 HB2 LYS 59 3.424 -11.146 2.503 486 HB3 LYS 59 HB1 LYS 59 3.671 -12.398 1.298 487 HG2 LYS 59 HG2 LYS 59 5.439 -11.900 3.723 488 HG3 LYS 59 HG1 LYS 59 4.199 -13.151 3.599 489 HD2 LYS 59 HD2 LYS 59 6.695 -12.963 1.855 490 HD3 LYS 59 HD1 LYS 59 6.495 -14.031 3.247 491 HE2 LYS 59 HE2 LYS 59 4.642 -15.177 2.114 492 HE3 LYS 59 HE1 LYS 59 4.813 -14.106 0.722 493 HZ1 LYS 59 HZ1 LYS 59 5.904 -16.151 0.261 494 HZ2 LYS 59 HZ2 LYS 59 6.788 -16.091 1.699 495 HZ3 LYS 59 HZ3 LYS 59 7.098 -14.973 0.471 496 H LEU 60 HN LEU 60 5.975 -8.664 0.028 497 HA LEU 60 HA LEU 60 4.845 -6.457 0.551 498 HB2 LEU 60 HB2 LEU 60 6.306 -6.997 -1.496 499 HB3 LEU 60 HB1 LEU 60 4.817 -7.115 -2.408 500 HG LEU 60 HG LEU 60 5.711 -4.567 -0.970 501 HD11 LEU 60 HD11 LEU 60 6.434 -3.704 -3.154 502 HD12 LEU 60 HD12 LEU 60 6.080 -5.264 -3.901 503 HD13 LEU 60 HD13 LEU 60 7.359 -5.132 -2.692 504 HD21 LEU 60 HD21 LEU 60 3.286 -4.576 -1.408 505 HD22 LEU 60 HD22 LEU 60 3.578 -4.926 -3.113 506 HD23 LEU 60 HD23 LEU 60 4.098 -3.386 -2.426 507 H SER 61 HN SER 61 3.093 -8.046 -2.076 508 HA SER 61 HA SER 61 0.509 -7.794 -0.867 509 HB2 SER 61 HB2 SER 61 0.930 -5.422 -1.697 510 HB3 SER 61 HB1 SER 61 1.059 -6.063 -3.334 511 HG SER 61 HG SER 61 -1.188 -6.149 -1.613 512 H LYS 62 HN LYS 62 -1.132 -8.774 -2.364 513 HA LYS 62 HA LYS 62 -0.285 -11.262 -3.208 514 HB2 LYS 62 HB2 LYS 62 -2.761 -9.732 -4.114 515 HB3 LYS 62 HB1 LYS 62 -2.529 -11.467 -4.330 516 HG2 LYS 62 HG2 LYS 62 -2.473 -11.797 -1.906 517 HG3 LYS 62 HG1 LYS 62 -2.613 -10.059 -1.641 518 HD2 LYS 62 HD2 LYS 62 -4.736 -11.721 -3.061 519 HD3 LYS 62 HD1 LYS 62 -4.759 -11.397 -1.331 520 HE2 LYS 62 HE2 LYS 62 -6.256 -9.828 -2.358 521 HE3 LYS 62 HE1 LYS 62 -4.822 -8.919 -1.894 522 HZ1 LYS 62 HZ1 LYS 62 -5.291 -9.961 -4.628 523 HZ2 LYS 62 HZ2 LYS 62 -4.104 -8.863 -4.141 524 HZ3 LYS 62 HZ3 LYS 62 -5.723 -8.409 -4.125 525 H GLU 63 HN GLU 63 -1.530 -8.876 -5.485 526 HA GLU 63 HA GLU 63 -0.769 -9.720 -7.937 527 HB2 GLU 63 HB2 GLU 63 -0.865 -6.887 -6.832 528 HB3 GLU 63 HB1 GLU 63 -0.544 -7.206 -8.527 529 HG2 GLU 63 HG2 GLU 63 -2.843 -6.647 -8.264 530 HG3 GLU 63 HG1 GLU 63 -2.687 -8.340 -8.736 531 H ALA 64 HN ALA 64 1.200 -7.604 -5.857 532 HA ALA 64 HA ALA 64 3.304 -7.199 -7.658 533 HB1 ALA 64 HB1 ALA 64 3.380 -7.029 -4.621 534 HB2 ALA 64 HB2 ALA 64 2.902 -5.730 -5.716 535 HB3 ALA 64 HB3 ALA 64 4.563 -6.324 -5.724 536 H GLN 65 HN GLN 65 3.113 -9.322 -4.831 537 HA GLN 65 HA GLN 65 5.436 -10.827 -4.891 538 HB2 GLN 65 HB2 GLN 65 2.579 -11.593 -4.196 539 HB3 GLN 65 HB1 GLN 65 3.854 -12.803 -4.126 540 HG2 GLN 65 HG2 GLN 65 3.915 -10.196 -2.577 541 HG3 GLN 65 HG1 GLN 65 3.303 -11.719 -1.930 542 HE21 GLN 65 HE21 GLN 65 6.174 -9.976 -2.912 543 HE22 GLN 65 HE22 GLN 65 7.314 -11.082 -2.239 544 H LYS 66 HN LYS 66 2.403 -11.686 -6.691 545 HA LYS 66 HA LYS 66 3.371 -13.699 -8.310 546 HB2 LYS 66 HB2 LYS 66 0.997 -13.221 -8.101 547 HB3 LYS 66 HB1 LYS 66 1.196 -11.643 -8.861 548 HG2 LYS 66 HG2 LYS 66 1.809 -12.756 -10.988 549 HG3 LYS 66 HG1 LYS 66 1.586 -14.330 -10.228 550 HD2 LYS 66 HD2 LYS 66 -0.808 -13.781 -9.837 551 HD3 LYS 66 HD1 LYS 66 -0.558 -12.214 -10.611 552 HE2 LYS 66 HE2 LYS 66 0.143 -13.483 -12.703 553 HE3 LYS 66 HE1 LYS 66 -0.411 -14.957 -11.908 554 HZ1 LYS 66 HZ1 LYS 66 -2.608 -14.001 -11.753 555 HZ2 LYS 66 HZ2 LYS 66 -2.082 -14.015 -13.361 556 HZ3 LYS 66 HZ3 LYS 66 -2.075 -12.571 -12.484 557 H LEU 67 HN LEU 67 3.155 -10.200 -9.238 558 HA LEU 67 HA LEU 67 4.309 -10.206 -11.665 559 HB2 LEU 67 HB2 LEU 67 4.764 -8.121 -9.486 560 HB3 LEU 67 HB1 LEU 67 5.108 -7.873 -11.191 561 HG LEU 67 HG LEU 67 2.343 -8.272 -9.948 562 HD11 LEU 67 HD11 LEU 67 3.324 -6.012 -9.586 563 HD12 LEU 67 HD12 LEU 67 1.890 -5.974 -10.610 564 HD13 LEU 67 HD13 LEU 67 3.495 -5.822 -11.335 565 HD21 LEU 67 HD21 LEU 67 1.416 -7.933 -12.186 566 HD22 LEU 67 HD22 LEU 67 2.453 -9.356 -12.160 567 HD23 LEU 67 HD23 LEU 67 3.041 -7.849 -12.873 568 H MET 68 HN MET 68 6.226 -9.679 -8.750 569 HA MET 68 HA MET 68 8.773 -10.085 -9.440 570 HB2 MET 68 HB2 MET 68 7.490 -11.281 -6.959 571 HB3 MET 68 HB1 MET 68 9.224 -11.059 -7.178 572 HG2 MET 68 HG2 MET 68 8.897 -8.641 -7.345 573 HG3 MET 68 HG1 MET 68 7.160 -8.849 -7.143 574 HE1 MET 68 HE1 MET 68 8.347 -7.154 -3.783 575 HE2 MET 68 HE2 MET 68 7.271 -7.008 -5.173 576 HE3 MET 68 HE3 MET 68 9.016 -6.878 -5.394 577 H LYS 69 HN LYS 69 6.597 -12.935 -8.760 578 HA LYS 69 HA LYS 69 8.638 -14.708 -9.916 579 HB2 LYS 69 HB2 LYS 69 7.235 -16.535 -9.034 580 HB3 LYS 69 HB1 LYS 69 7.610 -15.354 -7.785 581 HG2 LYS 69 HG2 LYS 69 5.346 -14.368 -8.060 582 HG3 LYS 69 HG1 LYS 69 4.976 -15.596 -9.277 583 HD2 LYS 69 HD2 LYS 69 5.227 -17.365 -7.588 584 HD3 LYS 69 HD1 LYS 69 5.670 -16.165 -6.369 585 HE2 LYS 69 HE2 LYS 69 3.435 -15.132 -6.578 586 HE3 LYS 69 HE1 LYS 69 2.995 -16.327 -7.799 587 HZ1 LYS 69 HZ1 LYS 69 2.146 -16.857 -5.578 588 HZ2 LYS 69 HZ2 LYS 69 3.729 -16.963 -4.997 589 HZ3 LYS 69 HZ3 LYS 69 3.184 -18.060 -6.163 590 H MET 70 HN MET 70 7.134 -12.874 -11.746 591 HA MET 70 HA MET 70 5.424 -14.541 -13.360 592 HB2 MET 70 HB2 MET 70 6.684 -11.825 -13.775 593 HB3 MET 70 HB1 MET 70 5.984 -12.668 -15.154 594 HG2 MET 70 HG2 MET 70 4.487 -11.963 -12.621 595 HG3 MET 70 HG1 MET 70 4.428 -11.063 -14.129 596 HE1 MET 70 HE1 MET 70 1.961 -11.169 -14.825 597 HE2 MET 70 HE2 MET 70 1.689 -11.693 -13.157 598 HE3 MET 70 HE3 MET 70 0.929 -12.564 -14.491 599 HA PRO 71 HA PRO 71 8.755 -16.641 -15.575 600 HB2 PRO 71 HB2 PRO 71 7.289 -17.559 -17.736 601 HB3 PRO 71 HB1 PRO 71 7.294 -18.338 -16.150 602 HG2 PRO 71 HG2 PRO 71 5.279 -16.447 -17.340 603 HG3 PRO 71 HG1 PRO 71 5.005 -17.915 -16.375 604 HD2 PRO 71 HD2 PRO 71 4.844 -15.412 -15.309 605 HD3 PRO 71 HD1 PRO 71 5.387 -16.813 -14.364 606 H PHE 72 HN PHE 72 6.525 -14.720 -17.652 607 HA PHE 72 HA PHE 72 8.770 -14.146 -19.536 608 HB2 PHE 72 HB2 PHE 72 5.732 -14.066 -19.972 609 HB3 PHE 72 HB1 PHE 72 6.911 -13.569 -21.171 610 HD1 PHE 72 HD2 PHE 72 8.278 -15.262 -22.363 611 HD2 PHE 72 HD1 PHE 72 5.303 -16.435 -19.530 612 HE1 PHE 72 HE2 PHE 72 8.321 -17.552 -23.262 613 HE2 PHE 72 HE1 PHE 72 5.357 -18.722 -20.429 614 HZ PHE 72 HZ PHE 72 6.860 -19.285 -22.300 615 H GLN 73 HN GLN 73 9.520 -11.863 -19.203 616 HA GLN 73 HA GLN 73 7.640 -9.854 -18.457 617 HB2 GLN 73 HB2 GLN 73 8.403 -9.290 -16.253 618 HB3 GLN 73 HB1 GLN 73 8.060 -11.012 -16.213 619 HG2 GLN 73 HG2 GLN 73 10.852 -9.855 -16.535 620 HG3 GLN 73 HG1 GLN 73 10.149 -10.305 -14.987 621 HE21 GLN 73 HE21 GLN 73 9.828 -12.486 -14.520 622 HE22 GLN 73 HE22 GLN 73 10.596 -13.753 -15.404 623 H ARG 74 HN ARG 74 8.793 -7.821 -18.022 624 HA ARG 74 HA ARG 74 11.552 -7.326 -18.434 625 HB2 ARG 74 HB2 ARG 74 11.754 -6.452 -20.677 626 HB3 ARG 74 HB1 ARG 74 11.041 -8.052 -20.810 627 HG2 ARG 74 HG2 ARG 74 8.846 -7.114 -21.254 628 HG3 ARG 74 HG1 ARG 74 9.416 -5.480 -20.911 629 HD2 ARG 74 HD2 ARG 74 10.938 -5.618 -22.853 630 HD3 ARG 74 HD1 ARG 74 10.334 -7.241 -23.204 631 HE ARG 74 HE ARG 74 8.772 -4.735 -23.403 632 HH11 ARG 74 HH11 ARG 74 9.208 -8.093 -24.343 633 HH12 ARG 74 HH12 ARG 74 7.995 -8.028 -25.586 634 HH21 ARG 74 HH21 ARG 74 7.214 -4.668 -25.044 635 HH22 ARG 74 HH22 ARG 74 6.873 -6.089 -25.972 636 H ALA 75 HN ALA 75 11.812 -4.838 -19.406 637 HA ALA 75 HA ALA 75 9.584 -3.157 -18.465 638 HB1 ALA 75 HB1 ALA 75 11.267 -1.370 -18.136 639 HB2 ALA 75 HB2 ALA 75 12.553 -2.492 -18.590 640 HB3 ALA 75 HB3 ALA 75 11.623 -2.765 -17.115 641 H ILE 76 HN ILE 76 8.849 -1.653 -20.253 642 HA ILE 76 HA ILE 76 9.107 -3.122 -22.730 643 HB ILE 76 HB ILE 76 7.330 -0.752 -21.940 644 HG12 ILE 76 HG12 ILE 76 6.902 -2.676 -20.411 645 HG13 ILE 76 HG11 ILE 76 5.516 -2.351 -21.447 646 HG21 ILE 76 HG21 ILE 76 7.031 -2.724 -24.230 647 HG22 ILE 76 HG22 ILE 76 7.551 -1.042 -24.361 648 HG23 ILE 76 HG23 ILE 76 5.913 -1.414 -23.830 649 HD11 ILE 76 HD11 ILE 76 7.522 -4.578 -21.836 650 HD12 ILE 76 HD12 ILE 76 6.107 -4.271 -22.846 651 HD13 ILE 76 HD13 ILE 76 5.902 -4.739 -21.159 652 H THR 77 HN THR 77 10.369 -2.352 -24.348 653 HA THR 77 HA THR 77 11.853 0.048 -24.371 654 HB THR 77 HB THR 77 12.223 -0.518 -26.812 655 HG1 THR 77 HG1 THR 77 11.264 -2.613 -27.440 656 HG21 THR 77 HG21 THR 77 12.494 -2.886 -24.921 657 HG22 THR 77 HG22 THR 77 13.656 -1.565 -25.077 658 HG23 THR 77 HG23 THR 77 13.378 -2.662 -26.432 659 H LYS 78 HN LYS 78 11.535 1.998 -25.457 660 HA LYS 78 HA LYS 78 9.159 3.320 -25.951 661 HB2 LYS 78 HB2 LYS 78 11.373 4.390 -25.889 662 HB3 LYS 78 HB1 LYS 78 11.838 3.587 -27.377 663 HG2 LYS 78 HG2 LYS 78 10.032 4.906 -28.559 664 HG3 LYS 78 HG1 LYS 78 9.794 5.805 -27.056 665 HD2 LYS 78 HD2 LYS 78 12.166 6.547 -27.142 666 HD3 LYS 78 HD1 LYS 78 12.392 5.644 -28.641 667 HE2 LYS 78 HE2 LYS 78 12.095 7.950 -29.221 668 HE3 LYS 78 HE1 LYS 78 10.618 7.107 -29.685 669 HZ1 LYS 78 HZ1 LYS 78 10.158 9.214 -28.601 670 HZ2 LYS 78 HZ2 LYS 78 11.001 8.718 -27.222 671 HZ3 LYS 78 HZ3 LYS 78 9.574 7.932 -27.667 672 H LYS 79 HN LYS 79 10.884 1.206 -27.923 673 HA LYS 79 HA LYS 79 9.791 1.304 -30.513 674 HB2 LYS 79 HB2 LYS 79 10.872 -1.017 -28.887 675 HB3 LYS 79 HB1 LYS 79 10.199 -1.313 -30.482 676 HG2 LYS 79 HG2 LYS 79 12.302 0.813 -30.292 677 HG3 LYS 79 HG1 LYS 79 12.828 -0.848 -30.033 678 HD2 LYS 79 HD2 LYS 79 13.122 -0.316 -32.374 679 HD3 LYS 79 HD1 LYS 79 11.822 -1.494 -32.217 680 HE2 LYS 79 HE2 LYS 79 10.166 0.366 -32.472 681 HE3 LYS 79 HE1 LYS 79 11.505 1.481 -32.753 682 HZ1 LYS 79 HZ1 LYS 79 10.543 0.723 -34.815 683 HZ2 LYS 79 HZ2 LYS 79 10.815 -0.887 -34.399 684 HZ3 LYS 79 HZ3 LYS 79 12.124 0.142 -34.682 685 H GLU 80 HN GLU 80 8.663 -0.598 -27.723 686 HA GLU 80 HA GLU 80 6.244 -1.442 -29.122 687 HB2 GLU 80 HB2 GLU 80 7.554 -2.293 -26.511 688 HB3 GLU 80 HB1 GLU 80 5.956 -2.855 -26.999 689 HG2 GLU 80 HG2 GLU 80 8.523 -3.292 -28.560 690 HG3 GLU 80 HG1 GLU 80 7.740 -4.480 -27.509 691 H GLN 81 HN GLN 81 7.240 0.951 -26.668 692 HA GLN 81 HA GLN 81 4.727 1.521 -25.763 693 HB2 GLN 81 HB2 GLN 81 7.099 3.368 -26.101 694 HB3 GLN 81 HB1 GLN 81 5.661 3.759 -25.156 695 HG2 GLN 81 HG2 GLN 81 6.134 1.883 -23.631 696 HG3 GLN 81 HG1 GLN 81 7.541 1.437 -24.595 697 HE21 GLN 81 HE21 GLN 81 9.033 1.754 -22.966 698 HE22 GLN 81 HE22 GLN 81 9.414 3.298 -22.302 699 H ALA 82 HN ALA 82 6.223 2.681 -28.849 700 HA ALA 82 HA ALA 82 4.091 4.415 -29.486 701 HB1 ALA 82 HB1 ALA 82 5.059 4.239 -31.785 702 HB2 ALA 82 HB2 ALA 82 6.105 2.926 -31.223 703 HB3 ALA 82 HB3 ALA 82 6.290 4.549 -30.558 704 H ASP 83 HN ASP 83 4.654 0.992 -29.770 705 HA ASP 83 HA ASP 83 2.206 0.519 -31.344 706 HB2 ASP 83 HB2 ASP 83 4.590 -1.297 -30.716 707 HB3 ASP 83 HB1 ASP 83 3.159 -1.821 -31.599 708 H MET 84 HN MET 84 2.090 1.330 -28.555 709 HA MET 84 HA MET 84 1.968 -0.655 -26.663 710 HB2 MET 84 HB2 MET 84 1.566 2.051 -26.635 711 HB3 MET 84 HB1 MET 84 -0.083 1.511 -26.358 712 HG2 MET 84 HG2 MET 84 1.033 1.892 -24.245 713 HG3 MET 84 HG1 MET 84 0.724 0.155 -24.434 714 HE1 MET 84 HE1 MET 84 2.573 -0.666 -22.757 715 HE2 MET 84 HE2 MET 84 2.852 1.017 -22.299 716 HE3 MET 84 HE3 MET 84 4.215 -0.029 -22.707 717 H GLY 85 HN GLY 85 -0.369 0.189 -29.043 718 HA2 GLY 85 HA2 GLY 85 -2.684 -1.043 -27.818 719 HA3 GLY 85 HA1 GLY 85 -2.572 -0.410 -29.458 720 H LYS 86 HN LYS 86 -0.109 -2.079 -30.176 721 HA LYS 86 HA LYS 86 -1.537 -4.544 -30.844 722 HB2 LYS 86 HB2 LYS 86 -0.619 -3.339 -32.754 723 HB3 LYS 86 HB1 LYS 86 0.910 -3.084 -31.952 724 HG2 LYS 86 HG2 LYS 86 0.014 -5.875 -32.689 725 HG3 LYS 86 HG1 LYS 86 0.745 -4.821 -33.895 726 HD2 LYS 86 HD2 LYS 86 2.012 -5.781 -31.307 727 HD3 LYS 86 HD1 LYS 86 2.430 -6.318 -32.936 728 HE2 LYS 86 HE2 LYS 86 3.370 -4.156 -33.461 729 HE3 LYS 86 HE1 LYS 86 2.729 -3.450 -31.978 730 HZ1 LYS 86 HZ1 LYS 86 5.100 -3.959 -31.858 731 HZ2 LYS 86 HZ2 LYS 86 4.756 -5.599 -32.052 732 HZ3 LYS 86 HZ3 LYS 86 4.204 -4.776 -30.684 733 H LEU 87 HN LEU 87 0.197 -3.335 -28.532 734 HA LEU 87 HA LEU 87 2.525 -5.167 -28.349 735 HB2 LEU 87 HB2 LEU 87 3.397 -3.037 -27.690 736 HB3 LEU 87 HB1 LEU 87 1.943 -2.631 -26.797 737 HG LEU 87 HG LEU 87 2.546 -4.403 -25.101 738 HD11 LEU 87 HD11 LEU 87 3.976 -5.825 -26.464 739 HD12 LEU 87 HD12 LEU 87 4.824 -5.295 -25.014 740 HD13 LEU 87 HD13 LEU 87 5.189 -4.546 -26.570 741 HD21 LEU 87 HD21 LEU 87 4.256 -3.082 -23.961 742 HD22 LEU 87 HD22 LEU 87 2.994 -2.064 -24.651 743 HD23 LEU 87 HD23 LEU 87 4.564 -2.183 -25.452 744 H LYS 88 HN LYS 88 -0.592 -4.144 -26.852 745 HA LYS 88 HA LYS 88 -0.046 -5.682 -24.430 746 HB2 LYS 88 HB2 LYS 88 -1.853 -3.348 -25.221 747 HB3 LYS 88 HB1 LYS 88 -2.226 -4.311 -23.794 748 HG2 LYS 88 HG2 LYS 88 0.013 -3.738 -22.849 749 HG3 LYS 88 HG1 LYS 88 0.317 -2.723 -24.265 750 HD2 LYS 88 HD2 LYS 88 -1.584 -1.280 -23.664 751 HD3 LYS 88 HD1 LYS 88 -1.975 -2.325 -22.296 752 HE2 LYS 88 HE2 LYS 88 0.200 -1.758 -21.261 753 HE3 LYS 88 HE1 LYS 88 0.569 -0.700 -22.623 754 HZ1 LYS 88 HZ1 LYS 88 -1.401 0.613 -22.028 755 HZ2 LYS 88 HZ2 LYS 88 -0.252 0.577 -20.793 756 HZ3 LYS 88 HZ3 LYS 88 -1.641 -0.370 -20.674 757 H LYS 89 HN LYS 89 -1.821 -5.493 -27.419 758 HA LYS 89 HA LYS 89 -4.133 -7.011 -26.476 759 HB2 LYS 89 HB2 LYS 89 -5.237 -6.526 -28.512 760 HB3 LYS 89 HB1 LYS 89 -4.357 -5.060 -28.108 761 HG2 LYS 89 HG2 LYS 89 -2.567 -5.803 -29.743 762 HG3 LYS 89 HG1 LYS 89 -3.660 -7.097 -30.242 763 HD2 LYS 89 HD2 LYS 89 -4.277 -4.111 -30.395 764 HD3 LYS 89 HD1 LYS 89 -3.754 -5.109 -31.753 765 HE2 LYS 89 HE2 LYS 89 -6.316 -5.568 -30.182 766 HE3 LYS 89 HE1 LYS 89 -6.216 -4.670 -31.699 767 HZ1 LYS 89 HZ1 LYS 89 -5.440 -6.622 -32.810 768 HZ2 LYS 89 HZ2 LYS 89 -6.878 -6.983 -32.002 769 HZ3 LYS 89 HZ3 LYS 89 -5.402 -7.502 -31.368 770 H SER 90 HN SER 90 -1.313 -7.544 -28.619 771 HA SER 90 HA SER 90 -1.854 -10.127 -29.532 772 HB2 SER 90 HB2 SER 90 0.825 -8.907 -28.702 773 HB3 SER 90 HB1 SER 90 0.630 -10.341 -29.703 774 HG SER 90 HG SER 90 0.847 -7.971 -30.598 775 H VAL 91 HN VAL 91 0.140 -9.216 -26.694 776 HA VAL 91 HA VAL 91 0.237 -11.624 -25.287 777 HB VAL 91 HB VAL 91 -0.186 -9.028 -23.759 778 HG11 VAL 91 HG11 VAL 91 1.499 -9.952 -22.219 779 HG12 VAL 91 HG12 VAL 91 1.693 -11.364 -23.259 780 HG13 VAL 91 HG13 VAL 91 0.155 -11.075 -22.445 781 HG21 VAL 91 HG21 VAL 91 2.361 -9.716 -25.248 782 HG22 VAL 91 HG22 VAL 91 2.189 -8.417 -24.065 783 HG23 VAL 91 HG23 VAL 91 1.281 -8.364 -25.575 784 H ARG 92 HN ARG 92 -2.303 -9.314 -25.619 785 HA ARG 92 HA ARG 92 -4.512 -9.310 -25.418 786 HB2 ARG 92 HB2 ARG 92 -4.502 -11.807 -25.730 787 HB3 ARG 92 HB1 ARG 92 -4.408 -11.991 -23.980 788 HG2 ARG 92 HG2 ARG 92 -6.586 -10.806 -23.756 789 HG3 ARG 92 HG1 ARG 92 -6.674 -10.663 -25.513 790 HD2 ARG 92 HD2 ARG 92 -8.057 -12.508 -24.876 791 HD3 ARG 92 HD1 ARG 92 -6.617 -13.175 -25.638 792 HE ARG 92 HE ARG 92 -5.785 -13.793 -23.445 793 HH11 ARG 92 HH11 ARG 92 -9.168 -12.846 -23.518 794 HH12 ARG 92 HH12 ARG 92 -9.573 -13.724 -22.081 795 HH21 ARG 92 HH21 ARG 92 -6.326 -14.928 -21.537 796 HH22 ARG 92 HH22 ARG 92 -7.963 -14.915 -20.966 797 H GLY 93 HN GLY 93 -3.007 -10.659 -22.516 798 HA2 GLY 93 HA2 GLY 93 -3.866 -8.289 -20.983 799 HA3 GLY 93 HA1 GLY 93 -4.153 -9.908 -20.348 800 H LEU 94 HN LEU 94 -1.433 -7.776 -21.552 801 HA LEU 94 HA LEU 94 0.501 -8.961 -19.839 802 HB2 LEU 94 HB2 LEU 94 1.067 -8.023 -21.986 803 HB3 LEU 94 HB1 LEU 94 0.176 -6.550 -21.682 804 HG LEU 94 HG LEU 94 1.955 -5.853 -20.073 805 HD11 LEU 94 HD11 LEU 94 3.440 -8.301 -21.051 806 HD12 LEU 94 HD12 LEU 94 2.786 -8.054 -19.429 807 HD13 LEU 94 HD13 LEU 94 4.082 -7.021 -20.016 808 HD21 LEU 94 HD21 LEU 94 2.923 -6.482 -22.895 809 HD22 LEU 94 HD22 LEU 94 3.637 -5.292 -21.802 810 HD23 LEU 94 HD23 LEU 94 1.997 -5.059 -22.402 811 H VAL 95 HN VAL 95 1.590 -7.292 -18.330 812 HA VAL 95 HA VAL 95 -0.322 -5.656 -16.769 813 HB VAL 95 HB VAL 95 1.973 -7.227 -15.459 814 HG11 VAL 95 HG11 VAL 95 -0.248 -5.533 -14.230 815 HG12 VAL 95 HG12 VAL 95 1.461 -5.107 -14.326 816 HG13 VAL 95 HG13 VAL 95 0.948 -6.457 -13.315 817 HG21 VAL 95 HG21 VAL 95 0.255 -8.652 -14.376 818 HG22 VAL 95 HG22 VAL 95 0.231 -8.829 -16.131 819 HG23 VAL 95 HG23 VAL 95 -1.005 -7.859 -15.327 820 H VAL 96 HN VAL 96 0.574 -3.610 -16.465 821 HA VAL 96 HA VAL 96 3.362 -3.079 -17.268 822 HB VAL 96 HB VAL 96 1.008 -1.577 -18.535 823 HG11 VAL 96 HG11 VAL 96 2.717 -0.276 -19.792 824 HG12 VAL 96 HG12 VAL 96 4.001 -1.074 -18.877 825 HG13 VAL 96 HG13 VAL 96 2.857 -0.012 -18.052 826 HG21 VAL 96 HG21 VAL 96 3.113 -3.359 -19.836 827 HG22 VAL 96 HG22 VAL 96 1.871 -2.445 -20.696 828 HG23 VAL 96 HG23 VAL 96 1.408 -3.759 -19.616 829 H VAL 97 HN VAL 97 4.275 -1.490 -15.994 830 HA VAL 97 HA VAL 97 2.601 -0.098 -14.004 831 HB VAL 97 HB VAL 97 5.137 -1.664 -13.307 832 HG11 VAL 97 HG11 VAL 97 4.842 0.314 -11.887 833 HG12 VAL 97 HG12 VAL 97 4.574 -1.151 -10.945 834 HG13 VAL 97 HG13 VAL 97 3.197 -0.184 -11.482 835 HG21 VAL 97 HG21 VAL 97 3.294 -3.260 -13.758 836 HG22 VAL 97 HG22 VAL 97 2.268 -2.417 -12.596 837 HG23 VAL 97 HG23 VAL 97 3.718 -3.255 -12.044 838 H HIS 98 HN HIS 98 3.283 2.026 -13.837 839 HA HIS 98 HA HIS 98 5.373 2.928 -15.678 840 HB2 HIS 98 HB2 HIS 98 3.093 3.936 -15.716 841 HB3 HIS 98 HB1 HIS 98 3.273 4.421 -14.036 842 HD2 HIS 98 HD2 HIS 98 4.403 5.503 -17.588 843 HE1 HIS 98 HE1 HIS 98 5.600 8.459 -14.822 844 HE2 HIS 98 HE2 HIS 98 5.187 7.947 -17.255 845 HA PRO 99 HA PRO 99 8.355 3.377 -12.355 846 HB2 PRO 99 HB2 PRO 99 10.068 5.270 -13.363 847 HB3 PRO 99 HB1 PRO 99 9.982 3.614 -13.980 848 HG2 PRO 99 HG2 PRO 99 8.678 6.107 -15.068 849 HG3 PRO 99 HG1 PRO 99 9.577 4.843 -15.942 850 HD2 PRO 99 HD2 PRO 99 6.875 4.886 -15.892 851 HD3 PRO 99 HD1 PRO 99 7.774 3.359 -15.897 852 H MET 100 HN MET 100 7.093 6.522 -13.566 853 HA MET 100 HA MET 100 8.080 7.906 -11.200 854 HB2 MET 100 HB2 MET 100 6.437 9.043 -13.495 855 HB3 MET 100 HB1 MET 100 7.272 9.967 -12.247 856 HG2 MET 100 HG2 MET 100 9.423 9.011 -13.054 857 HG3 MET 100 HG1 MET 100 8.548 8.247 -14.379 858 HE1 MET 100 HE1 MET 100 6.416 10.447 -15.262 859 HE2 MET 100 HE2 MET 100 7.436 9.571 -16.402 860 HE3 MET 100 HE3 MET 100 7.337 11.334 -16.473 861 H THR 101 HN THR 101 5.199 6.283 -11.990 862 HA THR 101 HA THR 101 3.436 7.635 -10.172 863 HB THR 101 HB THR 101 2.078 5.558 -10.173 864 HG1 THR 101 HG1 THR 101 4.465 4.481 -11.139 865 HG21 THR 101 HG21 THR 101 1.615 5.383 -12.610 866 HG22 THR 101 HG22 THR 101 3.095 6.278 -12.950 867 HG23 THR 101 HG23 THR 101 1.769 7.065 -12.090 868 H ALA 102 HN ALA 102 2.636 6.585 -8.151 869 HA ALA 102 HA ALA 102 4.565 6.375 -6.168 870 HB1 ALA 102 HB1 ALA 102 2.746 5.604 -4.699 871 HB2 ALA 102 HB2 ALA 102 1.730 5.276 -6.105 872 HB3 ALA 102 HB3 ALA 102 2.199 6.933 -5.724 873 H LEU 103 HN LEU 103 2.925 3.772 -7.943 874 HA LEU 103 HA LEU 103 3.783 1.618 -6.166 875 HB2 LEU 103 HB2 LEU 103 1.662 1.384 -7.531 876 HB3 LEU 103 HB1 LEU 103 2.643 1.329 -8.989 877 HG LEU 103 HG LEU 103 3.746 -0.759 -8.160 878 HD11 LEU 103 HD11 LEU 103 2.795 -2.005 -6.255 879 HD12 LEU 103 HD12 LEU 103 1.742 -0.641 -5.877 880 HD13 LEU 103 HD13 LEU 103 3.494 -0.471 -5.742 881 HD21 LEU 103 HD21 LEU 103 1.831 -0.908 -9.694 882 HD22 LEU 103 HD22 LEU 103 0.719 -0.965 -8.323 883 HD23 LEU 103 HD23 LEU 103 1.873 -2.277 -8.584 884 H GLY 104 HN GLY 104 4.632 2.670 -9.571 885 HA2 GLY 104 HA2 GLY 104 6.876 1.259 -9.986 886 HA3 GLY 104 HA1 GLY 104 6.600 2.875 -10.594 887 H ARG 105 HN ARG 105 6.835 3.837 -7.499 888 HA ARG 105 HA ARG 105 9.770 4.031 -7.639 889 HB2 ARG 105 HB2 ARG 105 7.733 5.681 -6.061 890 HB3 ARG 105 HB1 ARG 105 9.480 5.922 -6.038 891 HG2 ARG 105 HG2 ARG 105 9.351 6.408 -8.503 892 HG3 ARG 105 HG1 ARG 105 7.602 6.345 -8.374 893 HD2 ARG 105 HD2 ARG 105 7.606 8.221 -6.807 894 HD3 ARG 105 HD1 ARG 105 9.371 8.261 -6.825 895 HE ARG 105 HE ARG 105 8.906 8.636 -9.393 896 HH11 ARG 105 HH11 ARG 105 7.176 10.094 -6.699 897 HH12 ARG 105 HH12 ARG 105 6.914 11.595 -7.528 898 HH21 ARG 105 HH21 ARG 105 8.562 10.601 -10.457 899 HH22 ARG 105 HH22 ARG 105 7.717 11.887 -9.656 900 H GLU 106 HN GLU 106 7.046 2.899 -5.983 901 HA GLU 106 HA GLU 106 8.114 2.283 -3.402 902 HB2 GLU 106 HB2 GLU 106 5.532 1.952 -4.742 903 HB3 GLU 106 HB1 GLU 106 5.931 0.474 -3.892 904 HG2 GLU 106 HG2 GLU 106 4.569 1.923 -2.487 905 HG3 GLU 106 HG1 GLU 106 6.174 1.726 -1.782 906 H MET 107 HN MET 107 7.612 0.283 -6.367 907 HA MET 107 HA MET 107 8.799 -2.080 -5.113 908 HB2 MET 107 HB2 MET 107 7.694 -1.626 -7.922 909 HB3 MET 107 HB1 MET 107 8.424 -3.125 -7.385 910 HG2 MET 107 HG2 MET 107 6.619 -3.546 -5.857 911 HG3 MET 107 HG1 MET 107 5.948 -1.939 -6.110 912 HE1 MET 107 HE1 MET 107 5.947 -5.123 -9.484 913 HE2 MET 107 HE2 MET 107 6.784 -5.362 -7.950 914 HE3 MET 107 HE3 MET 107 7.366 -4.150 -9.092 915 H GLY 108 HN GLY 108 9.637 0.760 -6.893 916 HA2 GLY 108 HA2 GLY 108 11.818 1.618 -6.909 917 HA3 GLY 108 HA1 GLY 108 12.473 -0.003 -6.769 918 H LEU 109 HN LEU 109 10.050 0.477 -9.173 919 HA LEU 109 HA LEU 109 11.784 -0.226 -11.335 920 HB2 LEU 109 HB2 LEU 109 8.940 0.852 -11.500 921 HB3 LEU 109 HB1 LEU 109 9.772 -0.140 -12.693 922 HG LEU 109 HG LEU 109 8.908 -1.070 -9.917 923 HD11 LEU 109 HD11 LEU 109 6.976 -0.730 -11.353 924 HD12 LEU 109 HD12 LEU 109 7.240 -2.450 -11.089 925 HD13 LEU 109 HD13 LEU 109 7.706 -1.712 -12.623 926 HD21 LEU 109 HD21 LEU 109 10.147 -2.681 -12.180 927 HD22 LEU 109 HD22 LEU 109 9.546 -3.332 -10.652 928 HD23 LEU 109 HD23 LEU 109 10.934 -2.251 -10.657 929 H GLU 110 HN GLU 110 13.141 1.215 -12.297 930 HA GLU 110 HA GLU 110 12.531 4.116 -12.355 931 HB2 GLU 110 HB2 GLU 110 14.933 4.423 -12.780 932 HB3 GLU 110 HB1 GLU 110 14.692 3.410 -11.361 933 HG2 GLU 110 HG2 GLU 110 15.031 1.397 -12.904 934 HG3 GLU 110 HG1 GLU 110 15.576 2.548 -14.122 935 H GLU 111 HN GLU 111 11.611 1.775 -14.147 936 HA GLU 111 HA GLU 111 11.592 3.301 -16.651 937 HB2 GLU 111 HB2 GLU 111 13.560 1.764 -16.834 938 HB3 GLU 111 HB1 GLU 111 12.526 0.389 -16.487 939 HG2 GLU 111 HG2 GLU 111 13.065 0.521 -18.860 940 HG3 GLU 111 HG1 GLU 111 11.334 0.711 -18.599 941 H MET 112 HN MET 112 9.808 2.575 -18.105 942 HA MET 112 HA MET 112 7.475 1.673 -16.762 943 HB2 MET 112 HB2 MET 112 7.101 3.044 -18.711 944 HB3 MET 112 HB1 MET 112 8.103 1.997 -19.714 945 HG2 MET 112 HG2 MET 112 6.447 0.362 -19.904 946 HG3 MET 112 HG1 MET 112 5.650 0.844 -18.414 947 HE1 MET 112 HE1 MET 112 3.927 2.677 -18.156 948 HE2 MET 112 HE2 MET 112 3.533 3.869 -19.396 949 HE3 MET 112 HE3 MET 112 5.120 3.892 -18.628 950 H THR 113 HN THR 113 6.997 -0.268 -16.315 951 HA THR 113 HA THR 113 8.678 -2.493 -17.282 952 HB THR 113 HB THR 113 7.204 -2.358 -14.617 953 HG1 THR 113 HG1 THR 113 8.930 -0.771 -14.930 954 HG21 THR 113 HG21 THR 113 8.743 -4.176 -13.952 955 HG22 THR 113 HG22 THR 113 9.438 -4.196 -15.575 956 HG23 THR 113 HG23 THR 113 7.755 -4.671 -15.328 957 H GLY 114 HN GLY 114 7.680 -4.376 -18.190 958 HA2 GLY 114 HA2 GLY 114 4.837 -4.767 -17.518 959 HA3 GLY 114 HA1 GLY 114 5.598 -5.254 -19.022 960 H PHE 115 HN PHE 115 4.142 -7.182 -17.824 961 HA PHE 115 HA PHE 115 5.940 -9.162 -16.816 962 HB2 PHE 115 HB2 PHE 115 3.664 -8.147 -15.032 963 HB3 PHE 115 HB1 PHE 115 4.641 -9.560 -14.728 964 HD1 PHE 115 HD1 PHE 115 7.083 -9.264 -14.114 965 HD2 PHE 115 HD2 PHE 115 4.316 -6.010 -14.275 966 HE1 PHE 115 HE1 PHE 115 8.561 -7.939 -12.671 967 HE2 PHE 115 HE2 PHE 115 5.801 -4.683 -12.818 968 HZ PHE 115 HZ PHE 115 7.922 -5.651 -12.017 969 H SER 116 HN SER 116 4.931 -11.061 -17.965 970 HA SER 116 HA SER 116 2.182 -11.512 -17.055 971 HB2 SER 116 HB2 SER 116 2.214 -10.503 -19.387 972 HB3 SER 116 HB1 SER 116 3.106 -11.916 -19.943 973 HG SER 116 HG SER 116 0.801 -12.047 -20.270 974 H LYS 117 HN LYS 117 1.424 -13.696 -17.662 975 HA LYS 117 HA LYS 117 3.318 -15.847 -17.120 976 HB2 LYS 117 HB2 LYS 117 0.294 -15.757 -17.476 977 HB3 LYS 117 HB1 LYS 117 1.180 -17.239 -17.160 978 HG2 LYS 117 HG2 LYS 117 1.339 -14.887 -15.254 979 HG3 LYS 117 HG1 LYS 117 0.005 -16.039 -15.168 980 HD2 LYS 117 HD2 LYS 117 2.962 -16.749 -14.927 981 HD3 LYS 117 HD1 LYS 117 1.848 -16.565 -13.570 982 HE2 LYS 117 HE2 LYS 117 0.468 -18.450 -14.515 983 HE3 LYS 117 HE1 LYS 117 1.688 -18.659 -15.772 984 HZ1 LYS 117 HZ1 LYS 117 2.038 -19.058 -12.853 985 HZ2 LYS 117 HZ2 LYS 117 3.315 -19.057 -13.959 986 HZ3 LYS 117 HZ3 LYS 117 2.103 -20.231 -14.069 987 H THR 118 HN THR 118 1.988 -14.216 -19.792 988 HA THR 118 HA THR 118 2.360 -16.463 -21.680 989 HB THR 118 HB THR 118 0.885 -15.128 -23.236 990 HG1 THR 118 HG1 THR 118 1.255 -13.074 -22.262 991 HG21 THR 118 HG21 THR 118 -0.163 -16.893 -21.859 992 HG22 THR 118 HG22 THR 118 -1.273 -15.542 -22.096 993 HG23 THR 118 HG23 THR 118 -0.428 -15.732 -20.557 994 H THR 119 HN THR 119 3.332 -15.889 -23.728 995 HA THR 119 HA THR 119 5.782 -14.512 -23.372 996 HB THR 119 HB THR 119 5.609 -16.509 -24.803 997 HG1 THR 119 HG1 THR 119 7.346 -15.510 -25.521 998 HG21 THR 119 HG21 THR 119 4.040 -14.773 -26.754 999 HG22 THR 119 HG22 THR 119 3.393 -16.138 -25.840 1000 HG23 THR 119 HG23 THR 119 4.630 -16.407 -27.067 1001 H PHE 120 HN PHE 120 6.606 -12.680 -24.387 1002 HA PHE 120 HA PHE 120 5.286 -11.135 -26.353 1003 HB2 PHE 120 HB2 PHE 120 4.908 -9.045 -25.112 1004 HB3 PHE 120 HB1 PHE 120 3.903 -10.336 -24.483 1005 HD1 PHE 120 HD1 PHE 120 4.740 -11.532 -22.310 1006 HD2 PHE 120 HD2 PHE 120 6.205 -7.739 -23.627 1007 HE1 PHE 120 HE1 PHE 120 5.516 -11.032 -20.031 1008 HE2 PHE 120 HE2 PHE 120 6.986 -7.257 -21.344 1009 HZ PHE 120 HZ PHE 120 6.638 -8.897 -19.550 Start of MODEL 6 1 H MET 1 HT1 MET 1 -16.753 -0.508 -8.949 2 HA MET 1 HA MET 1 -16.904 -2.759 -8.281 3 HB2 MET 1 HB2 MET 1 -14.437 -3.197 -8.942 4 HB3 MET 1 HB1 MET 1 -13.999 -2.606 -7.347 5 HG2 MET 1 HG2 MET 1 -15.947 -4.888 -7.656 6 HG3 MET 1 HG1 MET 1 -14.215 -5.170 -7.756 7 HE1 MET 1 HE1 MET 1 -12.628 -5.303 -5.753 8 HE2 MET 1 HE2 MET 1 -12.937 -4.506 -4.208 9 HE3 MET 1 HE3 MET 1 -12.778 -3.548 -5.681 10 H LYS 2 HN LYS 2 -17.124 -3.414 -5.964 11 HA LYS 2 HA LYS 2 -18.248 -1.449 -4.361 12 HB2 LYS 2 HB2 LYS 2 -16.981 -4.060 -3.412 13 HB3 LYS 2 HB1 LYS 2 -18.221 -3.147 -2.559 14 HG2 LYS 2 HG2 LYS 2 -19.910 -3.732 -4.132 15 HG3 LYS 2 HG1 LYS 2 -18.731 -4.276 -5.328 16 HD2 LYS 2 HD2 LYS 2 -19.310 -5.645 -2.670 17 HD3 LYS 2 HD1 LYS 2 -19.904 -6.176 -4.247 18 HE2 LYS 2 HE2 LYS 2 -17.610 -6.601 -4.998 19 HE3 LYS 2 HE1 LYS 2 -16.963 -5.978 -3.480 20 HZ1 LYS 2 HZ1 LYS 2 -18.679 -8.378 -3.761 21 HZ2 LYS 2 HZ2 LYS 2 -18.020 -7.785 -2.319 22 HZ3 LYS 2 HZ3 LYS 2 -17.002 -8.377 -3.530 23 H GLU 3 HN GLU 3 -15.094 -3.007 -3.987 24 HA GLU 3 HA GLU 3 -13.135 -2.534 -3.057 25 HB2 GLU 3 HB2 GLU 3 -13.985 0.354 -3.483 26 HB3 GLU 3 HB1 GLU 3 -12.342 -0.164 -3.112 27 HG2 GLU 3 HG2 GLU 3 -12.173 -1.356 -5.202 28 HG3 GLU 3 HG1 GLU 3 -13.876 -1.101 -5.559 29 H VAL 4 HN VAL 4 -14.197 0.420 -1.498 30 HA VAL 4 HA VAL 4 -14.363 1.149 0.569 31 HB VAL 4 HB VAL 4 -15.821 0.225 2.146 32 HG11 VAL 4 HG11 VAL 4 -16.957 0.808 0.100 33 HG12 VAL 4 HG12 VAL 4 -17.779 -0.550 0.872 34 HG13 VAL 4 HG13 VAL 4 -16.743 -0.825 -0.533 35 HG21 VAL 4 HG21 VAL 4 -15.411 -2.573 1.034 36 HG22 VAL 4 HG22 VAL 4 -16.513 -2.136 2.344 37 HG23 VAL 4 HG23 VAL 4 -14.770 -1.956 2.557 38 H GLU 5 HN GLU 5 -12.654 -1.840 0.420 39 HA GLU 5 HA GLU 5 -11.184 -2.216 2.630 40 HB2 GLU 5 HB2 GLU 5 -11.019 -3.484 0.467 41 HB3 GLU 5 HB1 GLU 5 -10.084 -2.173 -0.212 42 HG2 GLU 5 HG2 GLU 5 -8.476 -3.786 0.321 43 HG3 GLU 5 HG1 GLU 5 -8.377 -2.645 1.663 44 H LYS 6 HN LYS 6 -10.216 0.014 0.028 45 HA LYS 6 HA LYS 6 -8.006 1.292 1.092 46 HB2 LYS 6 HB2 LYS 6 -10.247 2.638 -0.463 47 HB3 LYS 6 HB1 LYS 6 -8.587 3.212 -0.347 48 HG2 LYS 6 HG2 LYS 6 -7.782 1.325 -1.654 49 HG3 LYS 6 HG1 LYS 6 -9.380 0.572 -1.625 50 HD2 LYS 6 HD2 LYS 6 -10.301 2.440 -2.947 51 HD3 LYS 6 HD1 LYS 6 -8.725 3.234 -2.952 52 HE2 LYS 6 HE2 LYS 6 -7.783 1.380 -4.269 53 HE3 LYS 6 HE1 LYS 6 -9.334 0.538 -4.217 54 HZ1 LYS 6 HZ1 LYS 6 -8.967 1.744 -6.295 55 HZ2 LYS 6 HZ2 LYS 6 -8.907 3.201 -5.439 56 HZ3 LYS 6 HZ3 LYS 6 -10.333 2.288 -5.472 57 H ASN 7 HN ASN 7 -11.447 2.036 1.725 58 HA ASN 7 HA ASN 7 -11.083 4.416 3.240 59 HB2 ASN 7 HB2 ASN 7 -13.379 2.433 3.464 60 HB3 ASN 7 HB1 ASN 7 -13.410 4.116 3.978 61 HD21 ASN 7 HD21 ASN 7 -15.174 2.779 2.134 62 HD22 ASN 7 HD22 ASN 7 -15.049 3.620 0.630 63 H GLU 8 HN GLU 8 -11.027 1.019 4.149 64 HA GLU 8 HA GLU 8 -10.931 1.351 6.978 65 HB2 GLU 8 HB2 GLU 8 -10.239 -0.918 5.140 66 HB3 GLU 8 HB1 GLU 8 -9.570 -0.987 6.760 67 HG2 GLU 8 HG2 GLU 8 -11.619 -2.258 6.646 68 HG3 GLU 8 HG1 GLU 8 -11.806 -0.883 7.726 69 H ILE 9 HN ILE 9 -8.208 1.194 4.583 70 HA ILE 9 HA ILE 9 -6.137 1.540 6.450 71 HB ILE 9 HB ILE 9 -6.241 2.427 3.526 72 HG12 ILE 9 HG12 ILE 9 -6.640 0.005 3.750 73 HG13 ILE 9 HG11 ILE 9 -5.047 0.278 3.062 74 HG21 ILE 9 HG21 ILE 9 -3.756 2.368 3.578 75 HG22 ILE 9 HG22 ILE 9 -3.801 2.036 5.312 76 HG23 ILE 9 HG23 ILE 9 -4.401 3.574 4.692 77 HD11 ILE 9 HD11 ILE 9 -4.050 -0.159 5.292 78 HD12 ILE 9 HD12 ILE 9 -4.964 -1.526 4.654 79 HD13 ILE 9 HD13 ILE 9 -5.669 -0.510 5.912 80 H LYS 10 HN LYS 10 -8.168 3.890 4.767 81 HA LYS 10 HA LYS 10 -6.961 6.281 5.695 82 HB2 LYS 10 HB2 LYS 10 -8.550 6.195 3.812 83 HB3 LYS 10 HB1 LYS 10 -9.847 5.709 4.885 84 HG2 LYS 10 HG2 LYS 10 -8.454 8.365 5.290 85 HG3 LYS 10 HG1 LYS 10 -9.684 8.202 4.042 86 HD2 LYS 10 HD2 LYS 10 -10.075 7.758 7.033 87 HD3 LYS 10 HD1 LYS 10 -10.641 9.144 6.100 88 HE2 LYS 10 HE2 LYS 10 -12.113 7.624 4.788 89 HE3 LYS 10 HE1 LYS 10 -11.565 6.267 5.774 90 HZ1 LYS 10 HZ1 LYS 10 -12.492 7.366 7.718 91 HZ2 LYS 10 HZ2 LYS 10 -13.676 7.114 6.537 92 HZ3 LYS 10 HZ3 LYS 10 -13.017 8.654 6.766 93 H ARG 11 HN ARG 11 -9.692 4.447 6.941 94 HA ARG 11 HA ARG 11 -10.376 5.637 9.276 95 HB2 ARG 11 HB2 ARG 11 -11.503 3.655 8.464 96 HB3 ARG 11 HB1 ARG 11 -10.093 2.658 8.789 97 HG2 ARG 11 HG2 ARG 11 -10.403 3.150 11.242 98 HG3 ARG 11 HG1 ARG 11 -11.914 3.968 10.825 99 HD2 ARG 11 HD2 ARG 11 -11.263 1.037 10.350 100 HD3 ARG 11 HD1 ARG 11 -12.343 1.680 11.591 101 HE ARG 11 HE ARG 11 -12.999 2.279 8.799 102 HH11 ARG 11 HH11 ARG 11 -13.724 0.363 11.650 103 HH12 ARG 11 HH12 ARG 11 -15.235 -0.205 11.019 104 HH21 ARG 11 HH21 ARG 11 -14.964 1.496 7.991 105 HH22 ARG 11 HH22 ARG 11 -15.937 0.439 8.960 106 H LEU 12 HN LEU 12 -7.858 3.023 9.278 107 HA LEU 12 HA LEU 12 -7.062 3.472 11.962 108 HB2 LEU 12 HB2 LEU 12 -5.130 1.987 11.467 109 HB3 LEU 12 HB1 LEU 12 -6.675 1.331 10.975 110 HG LEU 12 HG LEU 12 -5.930 2.362 8.590 111 HD11 LEU 12 HD11 LEU 12 -3.537 2.039 8.150 112 HD12 LEU 12 HD12 LEU 12 -3.254 1.728 9.865 113 HD13 LEU 12 HD13 LEU 12 -3.814 3.315 9.335 114 HD21 LEU 12 HD21 LEU 12 -6.561 0.032 8.965 115 HD22 LEU 12 HD22 LEU 12 -4.956 -0.321 9.612 116 HD23 LEU 12 HD23 LEU 12 -5.147 0.143 7.918 117 H SER 13 HN SER 13 -5.682 4.689 8.913 118 HA SER 13 HA SER 13 -3.624 6.265 9.816 119 HB2 SER 13 HB2 SER 13 -4.242 5.996 7.425 120 HB3 SER 13 HB1 SER 13 -5.652 7.027 7.677 121 HG SER 13 HG SER 13 -3.207 8.083 8.457 122 H ASP 14 HN ASP 14 -7.060 7.453 9.534 123 HA ASP 14 HA ASP 14 -6.892 9.861 10.824 124 HB2 ASP 14 HB2 ASP 14 -8.845 9.030 9.530 125 HB3 ASP 14 HB1 ASP 14 -9.172 7.837 10.768 126 H ARG 15 HN ARG 15 -6.928 6.677 12.178 127 HA ARG 15 HA ARG 15 -7.708 7.379 14.879 128 HB2 ARG 15 HB2 ARG 15 -7.923 5.046 14.054 129 HB3 ARG 15 HB1 ARG 15 -6.168 4.916 13.945 130 HG2 ARG 15 HG2 ARG 15 -7.058 3.821 15.976 131 HG3 ARG 15 HG1 ARG 15 -5.937 5.131 16.355 132 HD2 ARG 15 HD2 ARG 15 -8.010 6.624 16.653 133 HD3 ARG 15 HD1 ARG 15 -8.955 5.137 16.596 134 HE ARG 15 HE ARG 15 -7.775 4.394 18.590 135 HH11 ARG 15 HH11 ARG 15 -7.491 7.838 17.880 136 HH12 ARG 15 HH12 ARG 15 -7.091 8.256 19.513 137 HH21 ARG 15 HH21 ARG 15 -7.207 4.974 20.719 138 HH22 ARG 15 HH22 ARG 15 -6.914 6.639 21.115 139 H LEU 16 HN LEU 16 -4.557 6.600 13.350 140 HA LEU 16 HA LEU 16 -2.998 7.290 15.614 141 HB2 LEU 16 HB2 LEU 16 -2.368 5.804 13.590 142 HB3 LEU 16 HB1 LEU 16 -1.996 7.288 12.742 143 HG LEU 16 HG LEU 16 0.001 6.058 13.707 144 HD11 LEU 16 HD11 LEU 16 1.214 7.984 14.520 145 HD12 LEU 16 HD12 LEU 16 -0.291 8.871 14.767 146 HD13 LEU 16 HD13 LEU 16 0.214 8.419 13.138 147 HD21 LEU 16 HD21 LEU 16 -0.991 5.278 15.792 148 HD22 LEU 16 HD22 LEU 16 -1.088 6.936 16.394 149 HD23 LEU 16 HD23 LEU 16 0.484 6.189 16.096 150 H ASP 17 HN ASP 17 -4.055 9.238 12.723 151 HA ASP 17 HA ASP 17 -2.628 11.550 13.153 152 HB2 ASP 17 HB2 ASP 17 -3.901 11.237 11.132 153 HB3 ASP 17 HB1 ASP 17 -5.402 11.036 12.027 154 H ALA 18 HN ALA 18 -6.012 11.013 14.261 155 HA ALA 18 HA ALA 18 -6.376 12.852 16.161 156 HB1 ALA 18 HB1 ALA 18 -7.784 11.263 17.380 157 HB2 ALA 18 HB2 ALA 18 -7.019 9.915 16.536 158 HB3 ALA 18 HB3 ALA 18 -7.988 11.082 15.636 159 H ILE 19 HN ILE 19 -4.262 10.018 16.582 160 HA ILE 19 HA ILE 19 -3.784 10.512 19.379 161 HB ILE 19 HB ILE 19 -2.374 8.633 17.458 162 HG12 ILE 19 HG12 ILE 19 -4.400 8.232 19.710 163 HG13 ILE 19 HG11 ILE 19 -4.672 7.978 17.989 164 HG21 ILE 19 HG21 ILE 19 -1.239 7.615 19.417 165 HG22 ILE 19 HG22 ILE 19 -1.889 8.880 20.462 166 HG23 ILE 19 HG23 ILE 19 -0.736 9.290 19.192 167 HD11 ILE 19 HD11 ILE 19 -3.050 6.111 18.073 168 HD12 ILE 19 HD12 ILE 19 -4.472 5.875 19.084 169 HD13 ILE 19 HD13 ILE 19 -2.937 6.332 19.819 170 H ARG 20 HN ARG 20 -1.732 11.196 16.436 171 HA ARG 20 HA ARG 20 0.343 12.406 17.828 172 HB2 ARG 20 HB2 ARG 20 1.106 13.350 15.745 173 HB3 ARG 20 HB1 ARG 20 0.463 11.748 15.403 174 HG2 ARG 20 HG2 ARG 20 -1.547 12.695 14.459 175 HG3 ARG 20 HG1 ARG 20 -1.079 14.319 14.957 176 HD2 ARG 20 HD2 ARG 20 0.834 14.245 13.401 177 HD3 ARG 20 HD1 ARG 20 0.368 12.613 12.902 178 HE ARG 20 HE ARG 20 -1.839 13.729 12.239 179 HH11 ARG 20 HH11 ARG 20 1.265 15.363 11.927 180 HH12 ARG 20 HH12 ARG 20 0.695 16.429 10.687 181 HH21 ARG 20 HH21 ARG 20 -2.545 15.121 10.624 182 HH22 ARG 20 HH22 ARG 20 -1.464 16.306 9.950 183 H HIS 21 HN HIS 21 -2.737 14.003 16.572 184 HA HIS 21 HA HIS 21 -2.162 16.568 17.295 185 HB2 HIS 21 HB2 HIS 21 -4.118 15.755 15.936 186 HB3 HIS 21 HB1 HIS 21 -4.865 15.158 17.402 187 HD1 HIS 21 HD1 HIS 21 -6.339 16.775 18.639 188 HD2 HIS 21 HD2 HIS 21 -3.778 18.724 16.007 189 HE1 HIS 21 HE1 HIS 21 -7.020 19.190 18.704 190 HE2 HIS 21 HE2 HIS 21 -5.339 20.374 17.253 191 H GLN 22 HN GLN 22 -3.749 14.053 19.145 192 HA GLN 22 HA GLN 22 -4.412 15.669 21.411 193 HB2 GLN 22 HB2 GLN 22 -5.058 13.648 22.582 194 HB3 GLN 22 HB1 GLN 22 -5.573 13.539 20.903 195 HG2 GLN 22 HG2 GLN 22 -3.585 12.124 20.438 196 HG3 GLN 22 HG1 GLN 22 -3.228 12.113 22.156 197 HE21 GLN 22 HE21 GLN 22 -3.372 9.815 21.978 198 HE22 GLN 22 HE22 GLN 22 -4.908 9.024 21.983 199 H GLN 23 HN GLN 23 -1.497 13.778 20.639 200 HA GLN 23 HA GLN 23 -0.188 14.438 23.124 201 HB2 GLN 23 HB2 GLN 23 0.904 13.371 20.499 202 HB3 GLN 23 HB1 GLN 23 1.801 13.450 22.022 203 HG2 GLN 23 HG2 GLN 23 0.204 11.920 23.059 204 HG3 GLN 23 HG1 GLN 23 -0.732 11.869 21.564 205 HE21 GLN 23 HE21 GLN 23 2.200 10.866 23.140 206 HE22 GLN 23 HE22 GLN 23 2.654 9.692 21.959 207 H ALA 24 HN ALA 24 -0.382 16.021 19.916 208 HA ALA 24 HA ALA 24 1.667 17.881 20.321 209 HB1 ALA 24 HB1 ALA 24 0.586 17.543 18.143 210 HB2 ALA 24 HB2 ALA 24 0.533 19.243 18.617 211 HB3 ALA 24 HB3 ALA 24 -0.910 18.236 18.766 212 H ASP 25 HN ASP 25 -1.963 18.340 21.050 213 HA ASP 25 HA ASP 25 -1.818 20.539 22.592 214 HB2 ASP 25 HB2 ASP 25 -3.407 18.010 23.215 215 HB3 ASP 25 HB1 ASP 25 -3.764 19.616 23.837 216 H LEU 26 HN LEU 26 -0.619 17.348 23.418 217 HA LEU 26 HA LEU 26 -0.049 18.215 26.179 218 HB2 LEU 26 HB2 LEU 26 0.258 15.461 24.941 219 HB3 LEU 26 HB1 LEU 26 0.585 15.870 26.619 220 HG LEU 26 HG LEU 26 -2.098 15.687 25.218 221 HD11 LEU 26 HD11 LEU 26 -2.653 14.174 27.063 222 HD12 LEU 26 HD12 LEU 26 -1.046 14.415 27.756 223 HD13 LEU 26 HD13 LEU 26 -1.221 13.633 26.184 224 HD21 LEU 26 HD21 LEU 26 -3.199 16.580 27.258 225 HD22 LEU 26 HD22 LEU 26 -2.249 17.791 26.406 226 HD23 LEU 26 HD23 LEU 26 -1.613 17.060 27.884 227 H SER 27 HN SER 27 1.961 17.787 27.112 228 HA SER 27 HA SER 27 4.299 17.422 25.358 229 HB2 SER 27 HB2 SER 27 4.110 19.873 25.957 230 HB3 SER 27 HB1 SER 27 4.173 19.422 27.662 231 HG SER 27 HG SER 27 6.184 19.544 25.785 232 H LEU 28 HN LEU 28 6.139 16.601 26.560 233 HA LEU 28 HA LEU 28 5.587 14.696 28.589 234 HB2 LEU 28 HB2 LEU 28 7.450 14.621 26.881 235 HB3 LEU 28 HB1 LEU 28 8.258 15.906 27.751 236 HG LEU 28 HG LEU 28 9.090 13.476 28.074 237 HD11 LEU 28 HD11 LEU 28 9.754 13.803 30.383 238 HD12 LEU 28 HD12 LEU 28 8.544 15.074 30.578 239 HD13 LEU 28 HD13 LEU 28 9.900 15.302 29.473 240 HD21 LEU 28 HD21 LEU 28 6.910 12.415 28.395 241 HD22 LEU 28 HD22 LEU 28 6.663 13.333 29.883 242 HD23 LEU 28 HD23 LEU 28 7.957 12.132 29.786 243 H VAL 29 HN VAL 29 6.402 18.085 28.589 244 HA VAL 29 HA VAL 29 7.306 18.244 31.321 245 HB VAL 29 HB VAL 29 6.469 20.523 29.474 246 HG11 VAL 29 HG11 VAL 29 8.284 20.516 31.918 247 HG12 VAL 29 HG12 VAL 29 6.668 21.214 31.828 248 HG13 VAL 29 HG13 VAL 29 7.977 21.910 30.875 249 HG21 VAL 29 HG21 VAL 29 9.223 19.245 29.777 250 HG22 VAL 29 HG22 VAL 29 8.867 20.696 28.835 251 HG23 VAL 29 HG23 VAL 29 8.180 19.142 28.355 252 H GLU 30 HN GLU 30 4.264 19.105 29.612 253 HA GLU 30 HA GLU 30 3.026 20.130 32.047 254 HB2 GLU 30 HB2 GLU 30 1.080 20.645 30.670 255 HB3 GLU 30 HB1 GLU 30 2.544 21.183 29.853 256 HG2 GLU 30 HG2 GLU 30 2.464 19.112 28.456 257 HG3 GLU 30 HG1 GLU 30 0.939 18.690 29.225 258 H ALA 31 HN ALA 31 2.857 17.169 30.122 259 HA ALA 31 HA ALA 31 1.149 15.880 32.156 260 HB1 ALA 31 HB1 ALA 31 -0.383 16.629 30.359 261 HB2 ALA 31 HB2 ALA 31 -0.274 14.869 30.410 262 HB3 ALA 31 HB3 ALA 31 0.590 15.770 29.161 263 H ALA 32 HN ALA 32 3.364 15.165 32.654 264 HA ALA 32 HA ALA 32 5.135 13.802 31.024 265 HB1 ALA 32 HB1 ALA 32 4.685 13.378 33.993 266 HB2 ALA 32 HB2 ALA 32 5.708 14.617 33.267 267 HB3 ALA 32 HB3 ALA 32 6.131 12.914 33.096 268 H ASP 33 HN ASP 33 2.647 12.432 33.083 269 HA ASP 33 HA ASP 33 3.055 9.703 32.317 270 HB2 ASP 33 HB2 ASP 33 2.096 10.275 34.522 271 HB3 ASP 33 HB1 ASP 33 0.681 10.975 33.743 272 H LYS 34 HN LYS 34 0.210 11.831 31.741 273 HA LYS 34 HA LYS 34 -1.276 10.230 30.101 274 HB2 LYS 34 HB2 LYS 34 -1.562 12.757 31.113 275 HB3 LYS 34 HB1 LYS 34 -1.308 13.159 29.428 276 HG2 LYS 34 HG2 LYS 34 -3.501 11.366 30.523 277 HG3 LYS 34 HG1 LYS 34 -3.694 13.044 30.017 278 HD2 LYS 34 HD2 LYS 34 -3.088 12.371 27.690 279 HD3 LYS 34 HD1 LYS 34 -2.963 10.695 28.221 280 HE2 LYS 34 HE2 LYS 34 -5.476 12.391 28.321 281 HE3 LYS 34 HE1 LYS 34 -5.120 11.150 27.119 282 HZ1 LYS 34 HZ1 LYS 34 -6.569 10.329 28.864 283 HZ2 LYS 34 HZ2 LYS 34 -5.403 10.683 30.033 284 HZ3 LYS 34 HZ3 LYS 34 -5.097 9.501 28.866 285 H TYR 35 HN TYR 35 1.213 12.472 29.108 286 HA TYR 35 HA TYR 35 1.006 12.138 26.257 287 HB2 TYR 35 HB2 TYR 35 2.099 14.131 27.106 288 HB3 TYR 35 HB1 TYR 35 3.294 13.177 27.973 289 HD1 TYR 35 HD2 TYR 35 2.159 14.144 24.541 290 HD2 TYR 35 HD1 TYR 35 5.334 12.497 26.891 291 HE1 TYR 35 HE2 TYR 35 3.664 14.263 22.604 292 HE2 TYR 35 HE1 TYR 35 6.839 12.627 24.959 293 HH TYR 35 HH TYR 35 6.559 12.631 22.411 294 H ALA 36 HN ALA 36 2.981 10.647 28.785 295 HA ALA 36 HA ALA 36 4.665 9.066 27.147 296 HB1 ALA 36 HB1 ALA 36 5.203 9.580 29.486 297 HB2 ALA 36 HB2 ALA 36 5.234 7.840 29.188 298 HB3 ALA 36 HB3 ALA 36 3.859 8.572 30.024 299 H GLU 37 HN GLU 37 1.566 8.308 28.700 300 HA GLU 37 HA GLU 37 1.257 5.660 27.933 301 HB2 GLU 37 HB2 GLU 37 -0.946 7.727 28.341 302 HB3 GLU 37 HB1 GLU 37 -1.145 5.976 28.421 303 HG2 GLU 37 HG2 GLU 37 0.500 7.672 30.330 304 HG3 GLU 37 HG1 GLU 37 -1.114 7.042 30.644 305 H LEU 38 HN LEU 38 -0.275 8.485 26.514 306 HA LEU 38 HA LEU 38 -1.224 7.480 24.149 307 HB2 LEU 38 HB2 LEU 38 0.073 10.191 24.474 308 HB3 LEU 38 HB1 LEU 38 -0.999 9.731 23.159 309 HG LEU 38 HG LEU 38 -1.764 9.985 26.094 310 HD11 LEU 38 HD11 LEU 38 -3.157 11.856 25.370 311 HD12 LEU 38 HD12 LEU 38 -2.576 11.666 23.718 312 HD13 LEU 38 HD13 LEU 38 -1.457 12.138 24.995 313 HD21 LEU 38 HD21 LEU 38 -3.540 9.196 23.766 314 HD22 LEU 38 HD22 LEU 38 -4.078 9.520 25.415 315 HD23 LEU 38 HD23 LEU 38 -3.029 8.145 25.088 316 H GLU 39 HN GLU 39 2.170 8.481 24.652 317 HA GLU 39 HA GLU 39 3.266 7.746 22.164 318 HB2 GLU 39 HB2 GLU 39 4.464 7.726 24.959 319 HB3 GLU 39 HB1 GLU 39 5.429 7.317 23.546 320 HG2 GLU 39 HG2 GLU 39 3.984 9.968 23.903 321 HG3 GLU 39 HG1 GLU 39 5.649 9.687 24.402 322 H LYS 40 HN LYS 40 2.725 5.828 24.972 323 HA LYS 40 HA LYS 40 3.660 3.269 24.021 324 HB2 LYS 40 HB2 LYS 40 1.398 3.629 26.024 325 HB3 LYS 40 HB1 LYS 40 2.316 2.149 25.751 326 HG2 LYS 40 HG2 LYS 40 4.370 3.286 26.545 327 HG3 LYS 40 HG1 LYS 40 3.434 4.754 26.812 328 HD2 LYS 40 HD2 LYS 40 2.018 3.539 28.468 329 HD3 LYS 40 HD1 LYS 40 3.025 2.103 28.254 330 HE2 LYS 40 HE2 LYS 40 3.618 3.387 30.288 331 HE3 LYS 40 HE1 LYS 40 4.966 3.320 29.149 332 HZ1 LYS 40 HZ1 LYS 40 3.084 5.586 29.503 333 HZ2 LYS 40 HZ2 LYS 40 4.391 5.546 28.424 334 HZ3 LYS 40 HZ3 LYS 40 4.665 5.518 30.095 335 H GLU 41 HN GLU 41 0.343 4.532 24.073 336 HA GLU 41 HA GLU 41 -1.082 2.689 22.599 337 HB2 GLU 41 HB2 GLU 41 -1.397 5.722 22.482 338 HB3 GLU 41 HB1 GLU 41 -2.631 4.554 22.023 339 HG2 GLU 41 HG2 GLU 41 -1.521 5.033 24.806 340 HG3 GLU 41 HG1 GLU 41 -3.117 5.493 24.218 341 H LYS 42 HN LYS 42 0.766 5.368 21.465 342 HA LYS 42 HA LYS 42 0.356 5.114 18.653 343 HB2 LYS 42 HB2 LYS 42 1.260 7.208 19.578 344 HB3 LYS 42 HB1 LYS 42 2.702 6.370 20.151 345 HG2 LYS 42 HG2 LYS 42 3.250 5.830 17.739 346 HG3 LYS 42 HG1 LYS 42 1.912 6.873 17.257 347 HD2 LYS 42 HD2 LYS 42 4.335 7.759 18.876 348 HD3 LYS 42 HD1 LYS 42 4.146 7.994 17.136 349 HE2 LYS 42 HE2 LYS 42 2.220 9.438 17.516 350 HE3 LYS 42 HE1 LYS 42 2.292 9.133 19.248 351 HZ1 LYS 42 HZ1 LYS 42 4.462 10.175 19.307 352 HZ2 LYS 42 HZ2 LYS 42 3.285 11.232 18.720 353 HZ3 LYS 42 HZ3 LYS 42 4.363 10.510 17.645 354 H ALA 43 HN ALA 43 3.137 4.218 20.652 355 HA ALA 43 HA ALA 43 4.787 2.912 18.898 356 HB1 ALA 43 HB1 ALA 43 5.434 3.476 21.204 357 HB2 ALA 43 HB2 ALA 43 5.831 1.798 20.828 358 HB3 ALA 43 HB3 ALA 43 4.416 2.173 21.816 359 H THR 44 HN THR 44 2.212 1.459 20.713 360 HA THR 44 HA THR 44 2.363 -1.222 19.790 361 HB THR 44 HB THR 44 -0.081 0.231 20.900 362 HG1 THR 44 HG1 THR 44 1.000 0.228 22.718 363 HG21 THR 44 HG21 THR 44 -0.823 -2.021 21.658 364 HG22 THR 44 HG22 THR 44 0.569 -2.752 20.855 365 HG23 THR 44 HG23 THR 44 -0.688 -1.958 19.902 366 H LEU 45 HN LEU 45 0.092 1.382 18.921 367 HA LEU 45 HA LEU 45 -1.180 0.207 16.782 368 HB2 LEU 45 HB2 LEU 45 -0.546 3.090 17.308 369 HB3 LEU 45 HB1 LEU 45 -1.077 2.668 15.690 370 HG LEU 45 HG LEU 45 -2.662 2.401 18.264 371 HD11 LEU 45 HD11 LEU 45 -2.623 4.612 17.218 372 HD12 LEU 45 HD12 LEU 45 -4.230 3.888 17.171 373 HD13 LEU 45 HD13 LEU 45 -3.233 3.917 15.712 374 HD21 LEU 45 HD21 LEU 45 -3.428 1.313 15.538 375 HD22 LEU 45 HD22 LEU 45 -4.489 1.408 16.947 376 HD23 LEU 45 HD23 LEU 45 -3.074 0.360 16.983 377 H GLU 46 HN GLU 46 1.902 1.988 16.609 378 HA GLU 46 HA GLU 46 2.401 1.663 13.902 379 HB2 GLU 46 HB2 GLU 46 4.407 1.964 16.173 380 HB3 GLU 46 HB1 GLU 46 4.761 2.207 14.461 381 HG2 GLU 46 HG2 GLU 46 3.102 4.065 14.411 382 HG3 GLU 46 HG1 GLU 46 2.820 3.836 16.131 383 H ALA 47 HN ALA 47 4.288 -0.110 16.407 384 HA ALA 47 HA ALA 47 5.248 -2.297 15.395 385 HB1 ALA 47 HB1 ALA 47 3.434 -2.396 17.829 386 HB2 ALA 47 HB2 ALA 47 5.126 -1.892 17.814 387 HB3 ALA 47 HB3 ALA 47 4.701 -3.563 17.438 388 H GLU 48 HN GLU 48 1.789 -2.252 16.130 389 HA GLU 48 HA GLU 48 0.954 -4.669 15.049 390 HB2 GLU 48 HB2 GLU 48 -0.362 -3.232 16.627 391 HB3 GLU 48 HB1 GLU 48 -0.605 -2.063 15.343 392 HG2 GLU 48 HG2 GLU 48 -2.626 -3.204 15.396 393 HG3 GLU 48 HG1 GLU 48 -1.769 -3.957 14.056 394 H ILE 49 HN ILE 49 0.210 -1.549 13.722 395 HA ILE 49 HA ILE 49 -0.820 -2.396 11.284 396 HB ILE 49 HB ILE 49 -0.724 -0.133 10.395 397 HG12 ILE 49 HG12 ILE 49 1.127 0.501 12.735 398 HG13 ILE 49 HG11 ILE 49 1.532 0.592 11.027 399 HG21 ILE 49 HG21 ILE 49 -1.446 -0.135 13.344 400 HG22 ILE 49 HG22 ILE 49 -2.482 -0.674 12.023 401 HG23 ILE 49 HG23 ILE 49 -2.024 1.023 12.142 402 HD11 ILE 49 HD11 ILE 49 -0.047 2.465 10.786 403 HD12 ILE 49 HD12 ILE 49 1.230 2.791 11.956 404 HD13 ILE 49 HD13 ILE 49 -0.388 2.373 12.517 405 H ALA 50 HN ALA 50 2.592 -1.305 11.804 406 HA ALA 50 HA ALA 50 3.590 -1.878 9.265 407 HB1 ALA 50 HB1 ALA 50 5.030 -1.861 11.932 408 HB2 ALA 50 HB2 ALA 50 4.709 -0.449 10.921 409 HB3 ALA 50 HB3 ALA 50 5.793 -1.722 10.347 410 H ARG 51 HN ARG 51 3.497 -3.893 12.119 411 HA ARG 51 HA ARG 51 4.616 -6.292 11.174 412 HB2 ARG 51 HB2 ARG 51 3.686 -5.913 13.548 413 HB3 ARG 51 HB1 ARG 51 2.125 -6.400 12.913 414 HG2 ARG 51 HG2 ARG 51 3.114 -8.319 13.976 415 HG3 ARG 51 HG1 ARG 51 3.163 -8.605 12.232 416 HD2 ARG 51 HD2 ARG 51 5.529 -7.878 12.188 417 HD3 ARG 51 HD1 ARG 51 5.473 -7.600 13.931 418 HE ARG 51 HE ARG 51 4.801 -10.292 13.100 419 HH11 ARG 51 HH11 ARG 51 7.408 -8.179 14.127 420 HH12 ARG 51 HH12 ARG 51 8.437 -9.485 14.598 421 HH21 ARG 51 HH21 ARG 51 6.169 -11.989 13.726 422 HH22 ARG 51 HH22 ARG 51 7.736 -11.641 14.377 423 H LEU 52 HN LEU 52 1.247 -5.395 11.005 424 HA LEU 52 HA LEU 52 0.263 -7.319 9.225 425 HB2 LEU 52 HB2 LEU 52 -0.650 -4.527 9.904 426 HB3 LEU 52 HB1 LEU 52 -1.376 -5.302 8.513 427 HG LEU 52 HG LEU 52 -2.845 -5.620 10.389 428 HD11 LEU 52 HD11 LEU 52 -3.051 -8.041 10.477 429 HD12 LEU 52 HD12 LEU 52 -1.415 -8.235 9.847 430 HD13 LEU 52 HD13 LEU 52 -2.672 -7.508 8.841 431 HD21 LEU 52 HD21 LEU 52 -2.197 -6.762 12.462 432 HD22 LEU 52 HD22 LEU 52 -1.282 -5.274 12.228 433 HD23 LEU 52 HD23 LEU 52 -0.519 -6.834 11.910 434 H ARG 53 HN ARG 53 2.002 -4.301 8.549 435 HA ARG 53 HA ARG 53 1.718 -4.536 5.689 436 HB2 ARG 53 HB2 ARG 53 3.247 -2.631 7.479 437 HB3 ARG 53 HB1 ARG 53 3.416 -2.591 5.725 438 HG2 ARG 53 HG2 ARG 53 1.042 -2.093 5.465 439 HG3 ARG 53 HG1 ARG 53 0.792 -2.207 7.211 440 HD2 ARG 53 HD2 ARG 53 0.970 0.145 6.412 441 HD3 ARG 53 HD1 ARG 53 2.226 -0.269 7.583 442 HE ARG 53 HE ARG 53 3.174 -0.709 4.951 443 HH11 ARG 53 HH11 ARG 53 2.506 1.971 7.134 444 HH12 ARG 53 HH12 ARG 53 3.636 3.026 6.344 445 HH21 ARG 53 HH21 ARG 53 4.628 0.668 3.963 446 HH22 ARG 53 HH22 ARG 53 4.838 2.287 4.555 447 H GLU 54 HN GLU 54 4.077 -5.783 8.016 448 HA GLU 54 HA GLU 54 6.050 -6.267 5.901 449 HB2 GLU 54 HB2 GLU 54 7.508 -7.204 7.554 450 HB3 GLU 54 HB1 GLU 54 6.812 -5.737 8.232 451 HG2 GLU 54 HG2 GLU 54 5.255 -7.091 9.571 452 HG3 GLU 54 HG1 GLU 54 5.933 -8.565 8.885 453 H VAL 55 HN VAL 55 3.510 -7.793 7.503 454 HA VAL 55 HA VAL 55 3.707 -10.442 6.322 455 HB VAL 55 HB VAL 55 1.162 -8.925 7.112 456 HG11 VAL 55 HG11 VAL 55 0.022 -11.134 7.047 457 HG12 VAL 55 HG12 VAL 55 1.495 -11.869 6.407 458 HG13 VAL 55 HG13 VAL 55 0.625 -10.660 5.460 459 HG21 VAL 55 HG21 VAL 55 1.156 -10.332 9.138 460 HG22 VAL 55 HG22 VAL 55 2.647 -9.400 9.043 461 HG23 VAL 55 HG23 VAL 55 2.655 -11.112 8.624 462 H HIS 56 HN HIS 56 2.008 -7.373 5.322 463 HA HIS 56 HA HIS 56 1.901 -8.218 2.583 464 HB2 HIS 56 HB2 HIS 56 1.240 -5.599 3.994 465 HB3 HIS 56 HB1 HIS 56 0.980 -5.872 2.274 466 HD1 HIS 56 HD1 HIS 56 -1.555 -5.713 2.332 467 HD2 HIS 56 HD2 HIS 56 -0.081 -8.551 4.979 468 HE1 HIS 56 HE1 HIS 56 -3.559 -6.950 3.179 469 HE2 HIS 56 HE2 HIS 56 -2.656 -8.571 4.870 470 H SER 57 HN SER 57 4.727 -7.800 3.822 471 HA SER 57 HA SER 57 5.761 -6.235 1.508 472 HB2 SER 57 HB2 SER 57 6.865 -6.239 4.339 473 HB3 SER 57 HB1 SER 57 7.813 -5.704 2.950 474 HG SER 57 HG SER 57 5.256 -4.637 3.330 475 H GLN 58 HN GLN 58 6.672 -8.727 3.927 476 HA GLN 58 HA GLN 58 8.422 -10.263 2.348 477 HB2 GLN 58 HB2 GLN 58 6.376 -11.256 4.391 478 HB3 GLN 58 HB1 GLN 58 7.778 -12.166 3.831 479 HG2 GLN 58 HG2 GLN 58 9.295 -10.778 5.024 480 HG3 GLN 58 HG1 GLN 58 8.102 -9.495 5.223 481 HE21 GLN 58 HE21 GLN 58 8.259 -9.387 7.466 482 HE22 GLN 58 HE22 GLN 58 7.717 -10.647 8.509 483 H LYS 59 HN LYS 59 4.902 -10.102 2.537 484 HA LYS 59 HA LYS 59 4.685 -11.377 -0.127 485 HB2 LYS 59 HB2 LYS 59 2.527 -11.217 2.044 486 HB3 LYS 59 HB1 LYS 59 2.307 -11.893 0.451 487 HG2 LYS 59 HG2 LYS 59 2.528 -13.787 1.799 488 HG3 LYS 59 HG1 LYS 59 4.141 -13.599 1.113 489 HD2 LYS 59 HD2 LYS 59 4.886 -12.500 3.230 490 HD3 LYS 59 HD1 LYS 59 3.271 -12.719 3.905 491 HE2 LYS 59 HE2 LYS 59 5.169 -14.945 3.075 492 HE3 LYS 59 HE1 LYS 59 4.827 -14.440 4.730 493 HZ1 LYS 59 HZ1 LYS 59 3.564 -16.391 4.171 494 HZ2 LYS 59 HZ2 LYS 59 2.887 -15.628 2.822 495 HZ3 LYS 59 HZ3 LYS 59 2.504 -15.087 4.379 496 H LEU 60 HN LEU 60 5.389 -9.125 -0.799 497 HA LEU 60 HA LEU 60 3.925 -6.789 -0.088 498 HB2 LEU 60 HB2 LEU 60 6.348 -6.981 -1.047 499 HB3 LEU 60 HB1 LEU 60 5.590 -6.990 -2.623 500 HG LEU 60 HG LEU 60 5.464 -4.692 -0.605 501 HD11 LEU 60 HD11 LEU 60 6.904 -3.455 -2.186 502 HD12 LEU 60 HD12 LEU 60 7.027 -4.898 -3.195 503 HD13 LEU 60 HD13 LEU 60 7.694 -4.905 -1.561 504 HD21 LEU 60 HD21 LEU 60 4.380 -4.734 -3.449 505 HD22 LEU 60 HD22 LEU 60 4.447 -3.320 -2.390 506 HD23 LEU 60 HD23 LEU 60 3.416 -4.684 -1.968 507 H SER 61 HN SER 61 1.749 -7.116 -0.415 508 HA SER 61 HA SER 61 -0.267 -7.013 -1.404 509 HB2 SER 61 HB2 SER 61 0.661 -4.990 -2.499 510 HB3 SER 61 HB1 SER 61 1.251 -5.978 -3.835 511 HG SER 61 HG SER 61 -1.420 -5.402 -3.095 512 H LYS 62 HN LYS 62 -1.681 -7.910 -3.202 513 HA LYS 62 HA LYS 62 -1.106 -10.674 -3.587 514 HB2 LYS 62 HB2 LYS 62 -3.296 -8.941 -4.786 515 HB3 LYS 62 HB1 LYS 62 -3.258 -10.700 -4.871 516 HG2 LYS 62 HG2 LYS 62 -3.593 -10.922 -2.513 517 HG3 LYS 62 HG1 LYS 62 -3.303 -9.202 -2.227 518 HD2 LYS 62 HD2 LYS 62 -5.656 -10.351 -3.791 519 HD3 LYS 62 HD1 LYS 62 -5.724 -9.817 -2.112 520 HE2 LYS 62 HE2 LYS 62 -5.154 -7.513 -2.817 521 HE3 LYS 62 HE1 LYS 62 -5.072 -8.038 -4.498 522 HZ1 LYS 62 HZ1 LYS 62 -7.161 -6.982 -4.013 523 HZ2 LYS 62 HZ2 LYS 62 -7.477 -8.076 -2.770 524 HZ3 LYS 62 HZ3 LYS 62 -7.416 -8.619 -4.369 525 H GLU 63 HN GLU 63 -2.013 -8.433 -6.192 526 HA GLU 63 HA GLU 63 -1.009 -9.686 -8.404 527 HB2 GLU 63 HB2 GLU 63 -2.491 -7.595 -8.277 528 HB3 GLU 63 HB1 GLU 63 -1.033 -6.661 -8.019 529 HG2 GLU 63 HG2 GLU 63 -1.633 -6.453 -10.327 530 HG3 GLU 63 HG1 GLU 63 -0.189 -7.467 -10.247 531 H ALA 64 HN ALA 64 0.710 -7.354 -6.289 532 HA ALA 64 HA ALA 64 2.976 -7.017 -7.992 533 HB1 ALA 64 HB1 ALA 64 2.713 -6.377 -5.037 534 HB2 ALA 64 HB2 ALA 64 2.295 -5.298 -6.366 535 HB3 ALA 64 HB3 ALA 64 3.974 -5.778 -6.121 536 H GLN 65 HN GLN 65 2.530 -8.841 -4.909 537 HA GLN 65 HA GLN 65 5.073 -10.059 -4.753 538 HB2 GLN 65 HB2 GLN 65 3.065 -10.198 -3.089 539 HB3 GLN 65 HB1 GLN 65 2.520 -11.566 -4.038 540 HG2 GLN 65 HG2 GLN 65 5.216 -11.430 -2.640 541 HG3 GLN 65 HG1 GLN 65 3.766 -12.099 -1.909 542 HE21 GLN 65 HE21 GLN 65 6.285 -13.398 -2.374 543 HE22 GLN 65 HE22 GLN 65 5.974 -14.755 -3.401 544 H LYS 66 HN LYS 66 2.164 -11.097 -6.621 545 HA LYS 66 HA LYS 66 3.256 -13.342 -7.843 546 HB2 LYS 66 HB2 LYS 66 0.871 -12.892 -7.589 547 HB3 LYS 66 HB1 LYS 66 0.986 -11.505 -8.665 548 HG2 LYS 66 HG2 LYS 66 1.313 -12.876 -10.575 549 HG3 LYS 66 HG1 LYS 66 1.665 -14.294 -9.600 550 HD2 LYS 66 HD2 LYS 66 -0.576 -14.561 -10.486 551 HD3 LYS 66 HD1 LYS 66 -0.727 -14.233 -8.759 552 HE2 LYS 66 HE2 LYS 66 -2.413 -12.953 -9.894 553 HE3 LYS 66 HE1 LYS 66 -1.187 -11.815 -9.336 554 HZ1 LYS 66 HZ1 LYS 66 -1.477 -12.874 -12.089 555 HZ2 LYS 66 HZ2 LYS 66 -0.241 -11.849 -11.584 556 HZ3 LYS 66 HZ3 LYS 66 -1.843 -11.305 -11.572 557 H LEU 67 HN LEU 67 3.071 -9.944 -9.208 558 HA LEU 67 HA LEU 67 4.352 -10.232 -11.505 559 HB2 LEU 67 HB2 LEU 67 4.818 -8.022 -9.459 560 HB3 LEU 67 HB1 LEU 67 5.369 -7.925 -11.122 561 HG LEU 67 HG LEU 67 2.448 -8.084 -10.258 562 HD11 LEU 67 HD11 LEU 67 4.019 -5.683 -11.258 563 HD12 LEU 67 HD12 LEU 67 3.424 -5.925 -9.615 564 HD13 LEU 67 HD13 LEU 67 2.280 -5.720 -10.939 565 HD21 LEU 67 HD21 LEU 67 3.586 -7.556 -13.018 566 HD22 LEU 67 HD22 LEU 67 1.880 -7.600 -12.570 567 HD23 LEU 67 HD23 LEU 67 2.847 -9.070 -12.493 568 H MET 68 HN MET 68 6.105 -9.498 -8.572 569 HA MET 68 HA MET 68 8.678 -10.096 -9.031 570 HB2 MET 68 HB2 MET 68 7.187 -10.972 -6.535 571 HB3 MET 68 HB1 MET 68 8.938 -10.823 -6.661 572 HG2 MET 68 HG2 MET 68 8.652 -8.410 -7.178 573 HG3 MET 68 HG1 MET 68 6.917 -8.588 -6.915 574 HE1 MET 68 HE1 MET 68 8.162 -6.577 -3.761 575 HE2 MET 68 HE2 MET 68 6.966 -6.617 -5.055 576 HE3 MET 68 HE3 MET 68 8.678 -6.430 -5.443 577 H LYS 69 HN LYS 69 6.255 -12.752 -8.435 578 HA LYS 69 HA LYS 69 8.332 -14.700 -9.298 579 HB2 LYS 69 HB2 LYS 69 6.828 -16.431 -8.433 580 HB3 LYS 69 HB1 LYS 69 7.083 -15.182 -7.216 581 HG2 LYS 69 HG2 LYS 69 4.895 -14.198 -7.734 582 HG3 LYS 69 HG1 LYS 69 4.642 -15.398 -9.003 583 HD2 LYS 69 HD2 LYS 69 4.683 -17.195 -7.283 584 HD3 LYS 69 HD1 LYS 69 4.884 -15.969 -6.024 585 HE2 LYS 69 HE2 LYS 69 2.699 -14.970 -6.691 586 HE3 LYS 69 HE1 LYS 69 2.507 -16.243 -7.901 587 HZ1 LYS 69 HZ1 LYS 69 1.287 -16.725 -5.889 588 HZ2 LYS 69 HZ2 LYS 69 2.707 -16.653 -4.974 589 HZ3 LYS 69 HZ3 LYS 69 2.508 -17.870 -6.130 590 H MET 70 HN MET 70 6.832 -12.882 -11.287 591 HA MET 70 HA MET 70 5.155 -14.557 -12.871 592 HB2 MET 70 HB2 MET 70 6.468 -11.898 -13.339 593 HB3 MET 70 HB1 MET 70 5.895 -12.775 -14.753 594 HG2 MET 70 HG2 MET 70 4.176 -11.984 -12.388 595 HG3 MET 70 HG1 MET 70 4.248 -11.147 -13.943 596 HE1 MET 70 HE1 MET 70 1.773 -11.300 -14.655 597 HE2 MET 70 HE2 MET 70 1.388 -11.918 -13.046 598 HE3 MET 70 HE3 MET 70 0.774 -12.743 -14.477 599 HA PRO 71 HA PRO 71 8.272 -16.871 -15.133 600 HB2 PRO 71 HB2 PRO 71 6.778 -17.836 -17.202 601 HB3 PRO 71 HB1 PRO 71 6.620 -18.433 -15.546 602 HG2 PRO 71 HG2 PRO 71 4.900 -16.464 -17.027 603 HG3 PRO 71 HG1 PRO 71 4.413 -17.788 -15.947 604 HD2 PRO 71 HD2 PRO 71 4.552 -15.153 -15.155 605 HD3 PRO 71 HD1 PRO 71 4.754 -16.522 -14.041 606 H PHE 72 HN PHE 72 6.234 -15.015 -17.516 607 HA PHE 72 HA PHE 72 8.659 -14.743 -19.225 608 HB2 PHE 72 HB2 PHE 72 5.706 -14.757 -20.050 609 HB3 PHE 72 HB1 PHE 72 7.060 -14.486 -21.141 610 HD1 PHE 72 HD1 PHE 72 8.538 -16.356 -21.823 611 HD2 PHE 72 HD2 PHE 72 5.181 -17.006 -19.260 612 HE1 PHE 72 HE1 PHE 72 8.663 -18.768 -22.269 613 HE2 PHE 72 HE2 PHE 72 5.309 -19.415 -19.722 614 HZ PHE 72 HZ PHE 72 7.048 -20.301 -21.221 615 H GLN 73 HN GLN 73 9.407 -12.514 -19.108 616 HA GLN 73 HA GLN 73 7.508 -10.386 -18.898 617 HB2 GLN 73 HB2 GLN 73 8.071 -9.542 -16.719 618 HB3 GLN 73 HB1 GLN 73 7.614 -11.223 -16.504 619 HG2 GLN 73 HG2 GLN 73 10.478 -10.217 -16.582 620 HG3 GLN 73 HG1 GLN 73 9.556 -10.463 -15.104 621 HE21 GLN 73 HE21 GLN 73 9.074 -12.586 -14.454 622 HE22 GLN 73 HE22 GLN 73 9.955 -13.944 -15.052 623 H ARG 74 HN ARG 74 8.624 -8.330 -18.648 624 HA ARG 74 HA ARG 74 11.435 -7.919 -18.951 625 HB2 ARG 74 HB2 ARG 74 11.641 -7.246 -21.299 626 HB3 ARG 74 HB1 ARG 74 10.992 -8.883 -21.257 627 HG2 ARG 74 HG2 ARG 74 8.771 -8.092 -21.766 628 HG3 ARG 74 HG1 ARG 74 9.263 -6.415 -21.566 629 HD2 ARG 74 HD2 ARG 74 10.921 -6.986 -23.559 630 HD3 ARG 74 HD1 ARG 74 9.758 -8.282 -23.873 631 HE ARG 74 HE ARG 74 8.968 -5.435 -23.654 632 HH11 ARG 74 HH11 ARG 74 8.733 -8.463 -25.415 633 HH12 ARG 74 HH12 ARG 74 7.687 -7.791 -26.622 634 HH21 ARG 74 HH21 ARG 74 7.600 -4.612 -25.225 635 HH22 ARG 74 HH22 ARG 74 7.048 -5.627 -26.517 636 H ALA 75 HN ALA 75 11.655 -5.482 -20.127 637 HA ALA 75 HA ALA 75 9.647 -3.750 -18.888 638 HB1 ALA 75 HB1 ALA 75 11.288 -1.976 -19.287 639 HB2 ALA 75 HB2 ALA 75 12.324 -3.110 -20.157 640 HB3 ALA 75 HB3 ALA 75 12.014 -3.340 -18.434 641 H ILE 76 HN ILE 76 9.814 -1.567 -20.412 642 HA ILE 76 HA ILE 76 8.415 -2.272 -22.925 643 HB ILE 76 HB ILE 76 6.980 -0.498 -20.905 644 HG12 ILE 76 HG12 ILE 76 6.852 -2.858 -20.142 645 HG13 ILE 76 HG11 ILE 76 5.278 -2.293 -20.674 646 HG21 ILE 76 HG21 ILE 76 5.097 -0.538 -22.505 647 HG22 ILE 76 HG22 ILE 76 6.061 -1.513 -23.618 648 HG23 ILE 76 HG23 ILE 76 6.551 0.142 -23.245 649 HD11 ILE 76 HD11 ILE 76 5.506 -3.553 -22.746 650 HD12 ILE 76 HD12 ILE 76 5.729 -4.603 -21.344 651 HD13 ILE 76 HD13 ILE 76 7.127 -4.068 -22.274 652 H THR 77 HN THR 77 9.765 -1.230 -24.228 653 HA THR 77 HA THR 77 11.012 1.311 -23.627 654 HB THR 77 HB THR 77 12.121 0.944 -25.849 655 HG1 THR 77 HG1 THR 77 11.633 -0.943 -27.008 656 HG21 THR 77 HG21 THR 77 12.163 -1.516 -24.061 657 HG22 THR 77 HG22 THR 77 13.154 -0.069 -23.843 658 HG23 THR 77 HG23 THR 77 13.385 -1.093 -25.261 659 H LYS 78 HN LYS 78 10.983 3.119 -25.150 660 HA LYS 78 HA LYS 78 8.654 4.299 -25.962 661 HB2 LYS 78 HB2 LYS 78 11.342 4.520 -27.374 662 HB3 LYS 78 HB1 LYS 78 10.013 5.664 -27.553 663 HG2 LYS 78 HG2 LYS 78 10.189 6.263 -25.179 664 HG3 LYS 78 HG1 LYS 78 11.488 5.093 -24.966 665 HD2 LYS 78 HD2 LYS 78 12.448 7.312 -25.139 666 HD3 LYS 78 HD1 LYS 78 12.893 6.398 -26.580 667 HE2 LYS 78 HE2 LYS 78 10.536 8.306 -26.536 668 HE3 LYS 78 HE1 LYS 78 12.168 8.853 -26.899 669 HZ1 LYS 78 HZ1 LYS 78 10.581 6.874 -28.433 670 HZ2 LYS 78 HZ2 LYS 78 12.189 7.279 -28.762 671 HZ3 LYS 78 HZ3 LYS 78 10.973 8.446 -28.906 672 H LYS 79 HN LYS 79 10.271 1.849 -27.537 673 HA LYS 79 HA LYS 79 9.133 1.992 -30.191 674 HB2 LYS 79 HB2 LYS 79 10.713 -0.168 -28.796 675 HB3 LYS 79 HB1 LYS 79 9.804 -0.593 -30.247 676 HG2 LYS 79 HG2 LYS 79 10.991 1.455 -31.335 677 HG3 LYS 79 HG1 LYS 79 12.100 1.354 -29.967 678 HD2 LYS 79 HD2 LYS 79 12.855 -0.826 -30.623 679 HD3 LYS 79 HD1 LYS 79 11.533 -1.011 -31.782 680 HE2 LYS 79 HE2 LYS 79 12.490 0.819 -33.162 681 HE3 LYS 79 HE1 LYS 79 13.818 0.991 -32.012 682 HZ1 LYS 79 HZ1 LYS 79 14.479 -0.314 -33.916 683 HZ2 LYS 79 HZ2 LYS 79 13.226 -1.414 -33.645 684 HZ3 LYS 79 HZ3 LYS 79 14.483 -1.274 -32.527 685 H GLU 80 HN GLU 80 8.281 0.180 -27.238 686 HA GLU 80 HA GLU 80 5.946 -1.070 -28.498 687 HB2 GLU 80 HB2 GLU 80 7.204 -1.370 -25.743 688 HB3 GLU 80 HB1 GLU 80 5.903 -2.364 -26.390 689 HG2 GLU 80 HG2 GLU 80 8.737 -2.209 -27.479 690 HG3 GLU 80 HG1 GLU 80 8.069 -3.523 -26.515 691 H GLN 81 HN GLN 81 6.827 1.602 -26.901 692 HA GLN 81 HA GLN 81 4.432 2.196 -25.320 693 HB2 GLN 81 HB2 GLN 81 6.881 3.880 -25.906 694 HB3 GLN 81 HB1 GLN 81 5.459 4.580 -25.146 695 HG2 GLN 81 HG2 GLN 81 5.683 3.106 -23.230 696 HG3 GLN 81 HG1 GLN 81 7.005 2.233 -24.006 697 HE21 GLN 81 HE21 GLN 81 8.391 2.707 -22.243 698 HE22 GLN 81 HE22 GLN 81 9.079 4.274 -22.028 699 H ALA 82 HN ALA 82 5.843 3.097 -28.507 700 HA ALA 82 HA ALA 82 4.108 5.099 -29.246 701 HB1 ALA 82 HB1 ALA 82 4.914 4.628 -31.526 702 HB2 ALA 82 HB2 ALA 82 5.548 3.069 -30.990 703 HB3 ALA 82 HB3 ALA 82 6.243 4.564 -30.364 704 H ASP 83 HN ASP 83 3.585 1.576 -29.399 705 HA ASP 83 HA ASP 83 0.884 2.002 -30.546 706 HB2 ASP 83 HB2 ASP 83 2.894 -0.063 -31.566 707 HB3 ASP 83 HB1 ASP 83 1.183 -0.066 -31.973 708 H MET 84 HN MET 84 0.057 1.712 -28.490 709 HA MET 84 HA MET 84 0.908 -0.223 -26.679 710 HB2 MET 84 HB2 MET 84 -0.718 2.031 -26.544 711 HB3 MET 84 HB1 MET 84 -1.859 0.740 -26.204 712 HG2 MET 84 HG2 MET 84 -0.874 1.616 -24.143 713 HG3 MET 84 HG1 MET 84 -0.401 -0.072 -24.397 714 HE1 MET 84 HE1 MET 84 2.991 1.028 -22.926 715 HE2 MET 84 HE2 MET 84 1.801 -0.264 -23.049 716 HE3 MET 84 HE3 MET 84 1.352 1.277 -22.311 717 H GLY 85 HN GLY 85 -1.753 -0.591 -29.199 718 HA2 GLY 85 HA2 GLY 85 -2.954 -2.799 -27.784 719 HA3 GLY 85 HA1 GLY 85 -3.327 -2.199 -29.401 720 H LYS 86 HN LYS 86 -1.474 -2.510 -31.014 721 HA LYS 86 HA LYS 86 -0.350 -4.771 -31.653 722 HB2 LYS 86 HB2 LYS 86 0.217 -2.594 -32.716 723 HB3 LYS 86 HB1 LYS 86 1.344 -2.251 -31.423 724 HG2 LYS 86 HG2 LYS 86 1.718 -4.666 -33.194 725 HG3 LYS 86 HG1 LYS 86 2.229 -3.074 -33.743 726 HD2 LYS 86 HD2 LYS 86 3.241 -4.584 -31.315 727 HD3 LYS 86 HD1 LYS 86 4.128 -4.266 -32.807 728 HE2 LYS 86 HE2 LYS 86 3.987 -1.810 -32.274 729 HE3 LYS 86 HE1 LYS 86 3.237 -2.233 -30.734 730 HZ1 LYS 86 HZ1 LYS 86 5.615 -1.817 -30.547 731 HZ2 LYS 86 HZ2 LYS 86 5.933 -3.099 -31.601 732 HZ3 LYS 86 HZ3 LYS 86 5.219 -3.401 -30.097 733 H LEU 87 HN LEU 87 0.712 -3.028 -28.966 734 HA LEU 87 HA LEU 87 3.092 -4.667 -28.321 735 HB2 LEU 87 HB2 LEU 87 3.399 -2.483 -27.434 736 HB3 LEU 87 HB1 LEU 87 1.772 -2.424 -26.773 737 HG LEU 87 HG LEU 87 2.396 -4.101 -25.044 738 HD11 LEU 87 HD11 LEU 87 4.123 -5.382 -26.154 739 HD12 LEU 87 HD12 LEU 87 4.759 -4.728 -24.643 740 HD13 LEU 87 HD13 LEU 87 5.202 -3.984 -26.178 741 HD21 LEU 87 HD21 LEU 87 4.236 -1.697 -25.064 742 HD22 LEU 87 HD22 LEU 87 3.798 -2.658 -23.649 743 HD23 LEU 87 HD23 LEU 87 2.564 -1.728 -24.497 744 H LYS 88 HN LYS 88 -0.336 -4.345 -27.095 745 HA LYS 88 HA LYS 88 0.355 -6.162 -24.867 746 HB2 LYS 88 HB2 LYS 88 -1.899 -4.141 -25.149 747 HB3 LYS 88 HB1 LYS 88 -1.652 -5.183 -23.749 748 HG2 LYS 88 HG2 LYS 88 0.462 -4.075 -23.243 749 HG3 LYS 88 HG1 LYS 88 0.349 -3.117 -24.719 750 HD2 LYS 88 HD2 LYS 88 -0.288 -1.791 -22.749 751 HD3 LYS 88 HD1 LYS 88 -1.642 -1.977 -23.867 752 HE2 LYS 88 HE2 LYS 88 -2.558 -3.788 -22.423 753 HE3 LYS 88 HE1 LYS 88 -1.222 -3.543 -21.294 754 HZ1 LYS 88 HZ1 LYS 88 -3.239 -1.507 -22.042 755 HZ2 LYS 88 HZ2 LYS 88 -1.995 -1.312 -20.913 756 HZ3 LYS 88 HZ3 LYS 88 -3.240 -2.413 -20.612 757 H LYS 89 HN LYS 89 -1.258 -6.242 -27.830 758 HA LYS 89 HA LYS 89 -3.624 -7.744 -26.923 759 HB2 LYS 89 HB2 LYS 89 -4.558 -7.575 -29.150 760 HB3 LYS 89 HB1 LYS 89 -3.956 -5.994 -28.700 761 HG2 LYS 89 HG2 LYS 89 -3.223 -6.059 -30.878 762 HG3 LYS 89 HG1 LYS 89 -1.814 -6.758 -30.087 763 HD2 LYS 89 HD2 LYS 89 -2.700 -9.048 -30.655 764 HD3 LYS 89 HD1 LYS 89 -4.023 -8.278 -31.538 765 HE2 LYS 89 HE2 LYS 89 -2.279 -8.954 -33.100 766 HE3 LYS 89 HE1 LYS 89 -2.341 -7.193 -33.033 767 HZ1 LYS 89 HZ1 LYS 89 -0.374 -8.934 -31.642 768 HZ2 LYS 89 HZ2 LYS 89 -0.437 -7.251 -31.519 769 HZ3 LYS 89 HZ3 LYS 89 -0.079 -7.972 -33.003 770 H SER 90 HN SER 90 -0.678 -8.153 -28.760 771 HA SER 90 HA SER 90 -0.732 -10.801 -29.566 772 HB2 SER 90 HB2 SER 90 1.623 -9.308 -28.307 773 HB3 SER 90 HB1 SER 90 1.711 -10.579 -29.520 774 HG SER 90 HG SER 90 1.964 -8.430 -30.371 775 H VAL 91 HN VAL 91 0.608 -9.469 -26.581 776 HA VAL 91 HA VAL 91 0.875 -11.842 -25.069 777 HB VAL 91 HB VAL 91 0.291 -9.301 -23.545 778 HG11 VAL 91 HG11 VAL 91 2.261 -10.006 -22.223 779 HG12 VAL 91 HG12 VAL 91 2.517 -11.356 -23.330 780 HG13 VAL 91 HG13 VAL 91 1.052 -11.288 -22.350 781 HG21 VAL 91 HG21 VAL 91 1.464 -8.305 -25.421 782 HG22 VAL 91 HG22 VAL 91 2.749 -9.503 -25.316 783 HG23 VAL 91 HG23 VAL 91 2.536 -8.325 -24.019 784 H ARG 92 HN ARG 92 -1.920 -10.180 -25.987 785 HA ARG 92 HA ARG 92 -4.105 -10.294 -25.690 786 HB2 ARG 92 HB2 ARG 92 -3.657 -12.757 -25.101 787 HB3 ARG 92 HB1 ARG 92 -3.737 -12.280 -23.414 788 HG2 ARG 92 HG2 ARG 92 -6.016 -11.886 -25.383 789 HG3 ARG 92 HG1 ARG 92 -5.817 -13.309 -24.376 790 HD2 ARG 92 HD2 ARG 92 -6.366 -10.468 -23.462 791 HD3 ARG 92 HD1 ARG 92 -7.425 -11.873 -23.296 792 HE ARG 92 HE ARG 92 -5.156 -12.573 -21.929 793 HH11 ARG 92 HH11 ARG 92 -7.366 -9.855 -21.646 794 HH12 ARG 92 HH12 ARG 92 -7.072 -9.643 -19.952 795 HH21 ARG 92 HH21 ARG 92 -4.785 -12.272 -19.715 796 HH22 ARG 92 HH22 ARG 92 -5.619 -11.015 -18.866 797 H GLY 93 HN GLY 93 -2.502 -10.489 -22.502 798 HA2 GLY 93 HA2 GLY 93 -2.942 -7.735 -21.922 799 HA3 GLY 93 HA1 GLY 93 -4.060 -8.762 -21.025 800 H LEU 94 HN LEU 94 -0.699 -7.806 -21.425 801 HA LEU 94 HA LEU 94 0.194 -9.317 -19.102 802 HB2 LEU 94 HB2 LEU 94 2.333 -8.359 -19.471 803 HB3 LEU 94 HB1 LEU 94 1.720 -8.758 -21.060 804 HG LEU 94 HG LEU 94 1.437 -5.921 -20.021 805 HD11 LEU 94 HD11 LEU 94 3.600 -5.300 -20.911 806 HD12 LEU 94 HD12 LEU 94 3.923 -6.972 -21.373 807 HD13 LEU 94 HD13 LEU 94 3.793 -6.543 -19.668 808 HD21 LEU 94 HD21 LEU 94 1.783 -7.023 -22.828 809 HD22 LEU 94 HD22 LEU 94 1.585 -5.321 -22.401 810 HD23 LEU 94 HD23 LEU 94 0.271 -6.459 -22.112 811 H VAL 95 HN VAL 95 1.648 -7.357 -17.769 812 HA VAL 95 HA VAL 95 -0.345 -5.471 -16.644 813 HB VAL 95 HB VAL 95 1.643 -7.115 -14.984 814 HG11 VAL 95 HG11 VAL 95 -0.415 -5.067 -14.067 815 HG12 VAL 95 HG12 VAL 95 1.336 -4.851 -14.066 816 HG13 VAL 95 HG13 VAL 95 0.597 -6.050 -13.002 817 HG21 VAL 95 HG21 VAL 95 -0.346 -8.196 -13.954 818 HG22 VAL 95 HG22 VAL 95 -0.250 -8.522 -15.686 819 HG23 VAL 95 HG23 VAL 95 -1.394 -7.325 -15.077 820 H VAL 96 HN VAL 96 0.597 -3.397 -16.521 821 HA VAL 96 HA VAL 96 3.465 -3.104 -17.301 822 HB VAL 96 HB VAL 96 1.180 -1.459 -18.512 823 HG11 VAL 96 HG11 VAL 96 2.926 -0.465 -19.993 824 HG12 VAL 96 HG12 VAL 96 4.165 -1.355 -19.104 825 HG13 VAL 96 HG13 VAL 96 3.220 -0.109 -18.288 826 HG21 VAL 96 HG21 VAL 96 1.704 -2.535 -20.672 827 HG22 VAL 96 HG22 VAL 96 1.204 -3.727 -19.473 828 HG23 VAL 96 HG23 VAL 96 2.911 -3.552 -19.877 829 H VAL 97 HN VAL 97 4.500 -1.653 -15.827 830 HA VAL 97 HA VAL 97 2.816 0.054 -14.116 831 HB VAL 97 HB VAL 97 5.328 -1.484 -13.281 832 HG11 VAL 97 HG11 VAL 97 4.775 -0.767 -10.976 833 HG12 VAL 97 HG12 VAL 97 3.395 0.145 -11.586 834 HG13 VAL 97 HG13 VAL 97 5.033 0.619 -12.038 835 HG21 VAL 97 HG21 VAL 97 2.442 -2.142 -12.545 836 HG22 VAL 97 HG22 VAL 97 3.873 -2.943 -11.893 837 HG23 VAL 97 HG23 VAL 97 3.483 -3.095 -13.605 838 H HIS 98 HN HIS 98 3.515 2.157 -14.272 839 HA HIS 98 HA HIS 98 5.776 2.908 -15.944 840 HB2 HIS 98 HB2 HIS 98 3.497 4.060 -15.914 841 HB3 HIS 98 HB1 HIS 98 3.874 4.657 -14.307 842 HD2 HIS 98 HD2 HIS 98 4.799 5.283 -18.022 843 HE1 HIS 98 HE1 HIS 98 6.564 8.311 -15.683 844 HE2 HIS 98 HE2 HIS 98 6.242 7.420 -18.021 845 HA PRO 99 HA PRO 99 8.717 3.359 -12.523 846 HB2 PRO 99 HB2 PRO 99 10.355 5.386 -13.412 847 HB3 PRO 99 HB1 PRO 99 10.409 3.741 -14.063 848 HG2 PRO 99 HG2 PRO 99 8.962 6.157 -15.158 849 HG3 PRO 99 HG1 PRO 99 10.008 5.002 -16.015 850 HD2 PRO 99 HD2 PRO 99 7.335 4.778 -16.135 851 HD3 PRO 99 HD1 PRO 99 8.357 3.333 -16.039 852 H MET 100 HN MET 100 7.413 6.507 -13.763 853 HA MET 100 HA MET 100 8.225 7.920 -11.382 854 HB2 MET 100 HB2 MET 100 6.393 8.921 -13.581 855 HB3 MET 100 HB1 MET 100 7.183 9.906 -12.361 856 HG2 MET 100 HG2 MET 100 9.392 9.127 -13.337 857 HG3 MET 100 HG1 MET 100 8.463 8.452 -14.676 858 HE1 MET 100 HE1 MET 100 6.592 10.102 -16.012 859 HE2 MET 100 HE2 MET 100 6.670 11.860 -15.912 860 HE3 MET 100 HE3 MET 100 6.081 10.933 -14.537 861 H THR 101 HN THR 101 5.328 6.269 -12.349 862 HA THR 101 HA THR 101 3.567 7.336 -10.376 863 HB THR 101 HB THR 101 2.226 5.266 -10.686 864 HG1 THR 101 HG1 THR 101 4.618 4.293 -11.597 865 HG21 THR 101 HG21 THR 101 1.788 5.424 -13.124 866 HG22 THR 101 HG22 THR 101 3.261 6.374 -13.326 867 HG23 THR 101 HG23 THR 101 1.916 7.017 -12.381 868 H ALA 102 HN ALA 102 3.034 6.438 -8.317 869 HA ALA 102 HA ALA 102 5.265 6.030 -6.696 870 HB1 ALA 102 HB1 ALA 102 3.185 7.059 -5.890 871 HB2 ALA 102 HB2 ALA 102 3.684 5.725 -4.850 872 HB3 ALA 102 HB3 ALA 102 2.358 5.502 -5.997 873 H LEU 103 HN LEU 103 3.367 3.627 -8.375 874 HA LEU 103 HA LEU 103 3.742 1.451 -6.454 875 HB2 LEU 103 HB2 LEU 103 1.722 1.405 -7.951 876 HB3 LEU 103 HB1 LEU 103 2.775 1.308 -9.352 877 HG LEU 103 HG LEU 103 3.641 -0.901 -8.535 878 HD11 LEU 103 HD11 LEU 103 1.515 -0.681 -6.378 879 HD12 LEU 103 HD12 LEU 103 3.262 -0.656 -6.133 880 HD13 LEU 103 HD13 LEU 103 2.484 -2.115 -6.735 881 HD21 LEU 103 HD21 LEU 103 0.624 -0.839 -8.899 882 HD22 LEU 103 HD22 LEU 103 1.663 -2.254 -9.099 883 HD23 LEU 103 HD23 LEU 103 1.830 -0.881 -10.190 884 H GLY 104 HN GLY 104 4.944 2.265 -9.863 885 HA2 GLY 104 HA2 GLY 104 7.151 0.677 -9.844 886 HA3 GLY 104 HA1 GLY 104 6.947 2.156 -10.757 887 H ARG 105 HN ARG 105 6.834 3.633 -7.883 888 HA ARG 105 HA ARG 105 9.726 4.065 -7.920 889 HB2 ARG 105 HB2 ARG 105 7.481 5.610 -6.519 890 HB3 ARG 105 HB1 ARG 105 9.199 5.994 -6.390 891 HG2 ARG 105 HG2 ARG 105 9.124 6.194 -8.976 892 HG3 ARG 105 HG1 ARG 105 7.379 6.269 -8.778 893 HD2 ARG 105 HD2 ARG 105 9.376 8.180 -7.524 894 HD3 ARG 105 HD1 ARG 105 8.414 8.503 -8.966 895 HE ARG 105 HE ARG 105 6.426 8.132 -7.385 896 HH11 ARG 105 HH11 ARG 105 9.461 9.597 -6.370 897 HH12 ARG 105 HH12 ARG 105 8.704 10.615 -5.189 898 HH21 ARG 105 HH21 ARG 105 5.458 9.464 -5.825 899 HH22 ARG 105 HH22 ARG 105 6.437 10.542 -4.878 900 H GLU 106 HN GLU 106 7.212 2.394 -6.240 901 HA GLU 106 HA GLU 106 8.510 2.417 -3.634 902 HB2 GLU 106 HB2 GLU 106 6.040 2.683 -3.737 903 HB3 GLU 106 HB1 GLU 106 5.898 1.161 -4.599 904 HG2 GLU 106 HG2 GLU 106 5.256 0.902 -2.262 905 HG3 GLU 106 HG1 GLU 106 6.685 -0.066 -2.627 906 H MET 107 HN MET 107 7.908 0.252 -6.464 907 HA MET 107 HA MET 107 8.800 -2.102 -4.958 908 HB2 MET 107 HB2 MET 107 7.776 -1.863 -7.834 909 HB3 MET 107 HB1 MET 107 8.402 -3.345 -7.125 910 HG2 MET 107 HG2 MET 107 6.514 -3.023 -5.345 911 HG3 MET 107 HG1 MET 107 5.812 -1.927 -6.534 912 HE1 MET 107 HE1 MET 107 5.285 -4.501 -9.575 913 HE2 MET 107 HE2 MET 107 6.718 -3.497 -9.312 914 HE3 MET 107 HE3 MET 107 5.105 -2.814 -9.081 915 H GLY 108 HN GLY 108 9.912 0.539 -6.835 916 HA2 GLY 108 HA2 GLY 108 12.162 1.183 -6.532 917 HA3 GLY 108 HA1 GLY 108 12.651 -0.499 -6.513 918 H LEU 109 HN LEU 109 10.493 0.261 -9.055 919 HA LEU 109 HA LEU 109 12.392 -0.455 -11.066 920 HB2 LEU 109 HB2 LEU 109 9.641 0.752 -11.534 921 HB3 LEU 109 HB1 LEU 109 10.534 -0.332 -12.593 922 HG LEU 109 HG LEU 109 9.284 -1.095 -9.912 923 HD11 LEU 109 HD11 LEU 109 7.580 -0.721 -11.611 924 HD12 LEU 109 HD12 LEU 109 7.695 -2.434 -11.220 925 HD13 LEU 109 HD13 LEU 109 8.401 -1.824 -12.719 926 HD21 LEU 109 HD21 LEU 109 10.726 -2.887 -11.908 927 HD22 LEU 109 HD22 LEU 109 9.867 -3.427 -10.461 928 HD23 LEU 109 HD23 LEU 109 11.304 -2.425 -10.303 929 H GLU 110 HN GLU 110 13.528 0.826 -12.468 930 HA GLU 110 HA GLU 110 13.522 3.759 -12.086 931 HB2 GLU 110 HB2 GLU 110 15.809 3.698 -13.015 932 HB3 GLU 110 HB1 GLU 110 15.656 2.608 -11.640 933 HG2 GLU 110 HG2 GLU 110 15.457 0.688 -13.188 934 HG3 GLU 110 HG1 GLU 110 15.617 1.778 -14.562 935 H GLU 111 HN GLU 111 12.149 1.615 -14.163 936 HA GLU 111 HA GLU 111 11.703 3.592 -16.237 937 HB2 GLU 111 HB2 GLU 111 12.535 2.231 -18.127 938 HB3 GLU 111 HB1 GLU 111 13.840 2.683 -17.035 939 HG2 GLU 111 HG2 GLU 111 13.830 0.434 -16.051 940 HG3 GLU 111 HG1 GLU 111 12.477 -0.030 -17.085 941 H MET 112 HN MET 112 10.326 2.448 -18.111 942 HA MET 112 HA MET 112 8.011 1.510 -16.742 943 HB2 MET 112 HB2 MET 112 7.751 2.970 -18.705 944 HB3 MET 112 HB1 MET 112 8.481 1.746 -19.743 945 HG2 MET 112 HG2 MET 112 6.630 0.239 -19.365 946 HG3 MET 112 HG1 MET 112 5.944 1.306 -18.150 947 HE1 MET 112 HE1 MET 112 3.785 2.282 -18.751 948 HE2 MET 112 HE2 MET 112 3.620 3.475 -20.044 949 HE3 MET 112 HE3 MET 112 4.828 3.707 -18.782 950 H THR 113 HN THR 113 7.332 -0.332 -16.530 951 HA THR 113 HA THR 113 8.897 -2.715 -17.434 952 HB THR 113 HB THR 113 7.581 -2.481 -14.699 953 HG1 THR 113 HG1 THR 113 9.288 -0.915 -14.998 954 HG21 THR 113 HG21 THR 113 9.737 -4.347 -15.748 955 HG22 THR 113 HG22 THR 113 8.057 -4.794 -15.440 956 HG23 THR 113 HG23 THR 113 9.100 -4.325 -14.098 957 H GLY 114 HN GLY 114 7.713 -4.623 -17.921 958 HA2 GLY 114 HA2 GLY 114 4.918 -4.827 -17.051 959 HA3 GLY 114 HA1 GLY 114 5.265 -4.930 -18.773 960 H PHE 115 HN PHE 115 4.214 -6.982 -16.649 961 HA PHE 115 HA PHE 115 6.233 -9.090 -17.038 962 HB2 PHE 115 HB2 PHE 115 4.273 -8.823 -14.708 963 HB3 PHE 115 HB1 PHE 115 5.566 -10.001 -14.879 964 HD1 PHE 115 HD1 PHE 115 4.879 -6.361 -14.316 965 HD2 PHE 115 HD2 PHE 115 7.713 -9.541 -13.948 966 HE1 PHE 115 HE1 PHE 115 6.280 -4.948 -12.870 967 HE2 PHE 115 HE2 PHE 115 9.111 -8.119 -12.512 968 HZ PHE 115 HZ PHE 115 8.397 -5.827 -11.962 969 H SER 116 HN SER 116 5.172 -11.230 -17.656 970 HA SER 116 HA SER 116 2.274 -11.369 -17.163 971 HB2 SER 116 HB2 SER 116 2.838 -10.495 -19.500 972 HB3 SER 116 HB1 SER 116 3.587 -12.043 -19.836 973 HG SER 116 HG SER 116 0.900 -11.373 -19.588 974 H LYS 117 HN LYS 117 1.387 -13.527 -17.783 975 HA LYS 117 HA LYS 117 3.017 -15.824 -17.014 976 HB2 LYS 117 HB2 LYS 117 0.077 -15.573 -17.793 977 HB3 LYS 117 HB1 LYS 117 0.839 -17.074 -17.275 978 HG2 LYS 117 HG2 LYS 117 0.660 -14.583 -15.540 979 HG3 LYS 117 HG1 LYS 117 -0.526 -15.889 -15.506 980 HD2 LYS 117 HD2 LYS 117 2.441 -16.182 -14.862 981 HD3 LYS 117 HD1 LYS 117 1.147 -16.078 -13.664 982 HE2 LYS 117 HE2 LYS 117 0.183 -18.189 -14.558 983 HE3 LYS 117 HE1 LYS 117 1.497 -18.286 -15.729 984 HZ1 LYS 117 HZ1 LYS 117 1.900 -19.680 -13.814 985 HZ2 LYS 117 HZ2 LYS 117 1.814 -18.343 -12.782 986 HZ3 LYS 117 HZ3 LYS 117 3.065 -18.461 -13.916 987 H THR 118 HN THR 118 2.171 -14.123 -19.819 988 HA THR 118 HA THR 118 2.657 -16.401 -21.647 989 HB THR 118 HB THR 118 1.315 -14.974 -23.327 990 HG1 THR 118 HG1 THR 118 1.446 -13.105 -21.668 991 HG21 THR 118 HG21 THR 118 -0.193 -16.003 -20.895 992 HG22 THR 118 HG22 THR 118 0.337 -16.981 -22.265 993 HG23 THR 118 HG23 THR 118 -0.880 -15.726 -22.501 994 H THR 119 HN THR 119 3.956 -15.976 -23.460 995 HA THR 119 HA THR 119 6.176 -14.264 -22.863 996 HB THR 119 HB THR 119 6.576 -16.487 -23.791 997 HG1 THR 119 HG1 THR 119 7.413 -14.751 -25.862 998 HG21 THR 119 HG21 THR 119 5.252 -15.525 -26.348 999 HG22 THR 119 HG22 THR 119 4.595 -16.731 -25.242 1000 HG23 THR 119 HG23 THR 119 6.082 -17.066 -26.132 1001 H PHE 120 HN PHE 120 7.057 -12.620 -24.101 1002 HA PHE 120 HA PHE 120 5.801 -11.545 -26.431 1003 HB2 PHE 120 HB2 PHE 120 5.257 -9.303 -25.513 1004 HB3 PHE 120 HB1 PHE 120 4.253 -10.562 -24.831 1005 HD1 PHE 120 HD1 PHE 120 5.239 -11.557 -22.479 1006 HD2 PHE 120 HD2 PHE 120 5.993 -7.643 -24.036 1007 HE1 PHE 120 HE1 PHE 120 5.731 -10.742 -20.213 1008 HE2 PHE 120 HE2 PHE 120 6.485 -6.839 -21.770 1009 HZ PHE 120 HZ PHE 120 6.356 -8.391 -19.858 Start of MODEL 7 1 H MET 1 HT1 MET 1 -11.244 -13.150 -4.166 2 HA MET 1 HA MET 1 -13.875 -13.441 -2.881 3 HB2 MET 1 HB2 MET 1 -13.178 -15.089 -4.803 4 HB3 MET 1 HB1 MET 1 -11.995 -15.702 -3.655 5 HG2 MET 1 HG2 MET 1 -14.971 -15.632 -3.093 6 HG3 MET 1 HG1 MET 1 -14.142 -17.010 -3.815 7 HE1 MET 1 HE1 MET 1 -14.999 -18.043 -0.039 8 HE2 MET 1 HE2 MET 1 -15.380 -18.367 -1.729 9 HE3 MET 1 HE3 MET 1 -15.939 -16.874 -0.971 10 H LYS 2 HN LYS 2 -13.727 -14.470 -0.779 11 HA LYS 2 HA LYS 2 -13.054 -14.753 1.340 12 HB2 LYS 2 HB2 LYS 2 -10.197 -14.464 0.309 13 HB3 LYS 2 HB1 LYS 2 -10.625 -14.878 1.970 14 HG2 LYS 2 HG2 LYS 2 -11.658 -16.955 1.248 15 HG3 LYS 2 HG1 LYS 2 -11.430 -16.528 -0.450 16 HD2 LYS 2 HD2 LYS 2 -8.985 -16.625 -0.148 17 HD3 LYS 2 HD1 LYS 2 -9.206 -17.052 1.553 18 HE2 LYS 2 HE2 LYS 2 -10.156 -18.711 -0.817 19 HE3 LYS 2 HE1 LYS 2 -8.712 -19.035 0.146 20 HZ1 LYS 2 HZ1 LYS 2 -10.167 -19.259 2.092 21 HZ2 LYS 2 HZ2 LYS 2 -10.476 -20.416 0.906 22 HZ3 LYS 2 HZ3 LYS 2 -11.521 -19.102 1.096 23 H GLU 3 HN GLU 3 -10.682 -12.358 0.113 24 HA GLU 3 HA GLU 3 -10.399 -10.132 0.369 25 HB2 GLU 3 HB2 GLU 3 -13.351 -10.084 1.150 26 HB3 GLU 3 HB1 GLU 3 -12.402 -8.693 0.636 27 HG2 GLU 3 HG2 GLU 3 -13.201 -11.085 -1.055 28 HG3 GLU 3 HG1 GLU 3 -13.831 -9.440 -1.180 29 H VAL 4 HN VAL 4 -10.080 -11.957 2.734 30 HA VAL 4 HA VAL 4 -11.094 -10.635 5.056 31 HB VAL 4 HB VAL 4 -8.961 -12.802 5.097 32 HG11 VAL 4 HG11 VAL 4 -9.349 -11.687 7.256 33 HG12 VAL 4 HG12 VAL 4 -9.909 -13.356 7.316 34 HG13 VAL 4 HG13 VAL 4 -11.076 -12.041 7.157 35 HG21 VAL 4 HG21 VAL 4 -10.789 -14.484 5.232 36 HG22 VAL 4 HG22 VAL 4 -10.808 -13.623 3.693 37 HG23 VAL 4 HG23 VAL 4 -11.977 -13.206 4.946 38 H GLU 5 HN GLU 5 -7.687 -11.098 3.848 39 HA GLU 5 HA GLU 5 -6.251 -10.102 5.836 40 HB2 GLU 5 HB2 GLU 5 -5.480 -11.114 3.678 41 HB3 GLU 5 HB1 GLU 5 -5.652 -9.534 2.924 42 HG2 GLU 5 HG2 GLU 5 -3.930 -8.622 4.442 43 HG3 GLU 5 HG1 GLU 5 -3.775 -10.198 5.221 44 H LYS 6 HN LYS 6 -7.650 -7.951 3.339 45 HA LYS 6 HA LYS 6 -6.543 -5.506 4.096 46 HB2 LYS 6 HB2 LYS 6 -9.330 -6.084 3.032 47 HB3 LYS 6 HB1 LYS 6 -8.785 -4.444 3.347 48 HG2 LYS 6 HG2 LYS 6 -8.331 -4.641 1.087 49 HG3 LYS 6 HG1 LYS 6 -6.771 -5.041 1.794 50 HD2 LYS 6 HD2 LYS 6 -7.179 -6.603 0.029 51 HD3 LYS 6 HD1 LYS 6 -7.374 -7.488 1.543 52 HE2 LYS 6 HE2 LYS 6 -9.783 -7.429 1.348 53 HE3 LYS 6 HE1 LYS 6 -9.705 -6.312 -0.018 54 HZ1 LYS 6 HZ1 LYS 6 -8.552 -8.084 -1.263 55 HZ2 LYS 6 HZ2 LYS 6 -10.129 -8.490 -0.817 56 HZ3 LYS 6 HZ3 LYS 6 -8.820 -9.134 0.033 57 H ASN 7 HN ASN 7 -9.166 -7.264 5.706 58 HA ASN 7 HA ASN 7 -10.029 -5.330 7.567 59 HB2 ASN 7 HB2 ASN 7 -9.922 -8.365 7.892 60 HB3 ASN 7 HB1 ASN 7 -10.872 -7.262 8.897 61 HD21 ASN 7 HD21 ASN 7 -11.715 -9.513 7.173 62 HD22 ASN 7 HD22 ASN 7 -12.864 -8.854 6.068 63 H GLU 8 HN GLU 8 -7.267 -7.653 7.642 64 HA GLU 8 HA GLU 8 -6.615 -7.307 10.386 65 HB2 GLU 8 HB2 GLU 8 -5.171 -8.543 8.014 66 HB3 GLU 8 HB1 GLU 8 -4.391 -8.414 9.583 67 HG2 GLU 8 HG2 GLU 8 -5.253 -10.617 9.344 68 HG3 GLU 8 HG1 GLU 8 -6.177 -9.788 10.589 69 H ILE 9 HN ILE 9 -5.158 -5.938 7.332 70 HA ILE 9 HA ILE 9 -3.221 -4.350 8.553 71 HB ILE 9 HB ILE 9 -4.779 -3.774 5.991 72 HG12 ILE 9 HG12 ILE 9 -3.718 -5.999 5.893 73 HG13 ILE 9 HG11 ILE 9 -2.877 -4.898 4.810 74 HG21 ILE 9 HG21 ILE 9 -3.593 -1.759 6.742 75 HG22 ILE 9 HG22 ILE 9 -2.817 -2.411 5.299 76 HG23 ILE 9 HG23 ILE 9 -2.084 -2.664 6.886 77 HD11 ILE 9 HD11 ILE 9 -1.300 -6.308 5.949 78 HD12 ILE 9 HD12 ILE 9 -1.935 -5.837 7.524 79 HD13 ILE 9 HD13 ILE 9 -1.093 -4.652 6.518 80 H LYS 10 HN LYS 10 -6.621 -3.708 7.854 81 HA LYS 10 HA LYS 10 -6.770 -1.041 8.804 82 HB2 LYS 10 HB2 LYS 10 -8.427 -2.201 7.316 83 HB3 LYS 10 HB1 LYS 10 -8.949 -3.176 8.676 84 HG2 LYS 10 HG2 LYS 10 -9.121 -0.158 8.793 85 HG3 LYS 10 HG1 LYS 10 -10.352 -1.082 7.940 86 HD2 LYS 10 HD2 LYS 10 -9.642 -1.317 10.891 87 HD3 LYS 10 HD1 LYS 10 -11.079 -0.550 10.221 88 HE2 LYS 10 HE2 LYS 10 -11.781 -2.767 9.294 89 HE3 LYS 10 HE1 LYS 10 -10.379 -3.501 10.087 90 HZ1 LYS 10 HZ1 LYS 10 -12.679 -2.155 11.388 91 HZ2 LYS 10 HZ2 LYS 10 -11.287 -2.645 12.209 92 HZ3 LYS 10 HZ3 LYS 10 -12.274 -3.794 11.462 93 H ARG 11 HN ARG 11 -6.758 -4.150 10.406 94 HA ARG 11 HA ARG 11 -7.858 -3.302 12.926 95 HB2 ARG 11 HB2 ARG 11 -8.080 -5.620 12.232 96 HB3 ARG 11 HB1 ARG 11 -6.332 -5.812 12.156 97 HG2 ARG 11 HG2 ARG 11 -6.147 -5.585 14.568 98 HG3 ARG 11 HG1 ARG 11 -7.876 -5.237 14.703 99 HD2 ARG 11 HD2 ARG 11 -6.634 -7.848 13.776 100 HD3 ARG 11 HD1 ARG 11 -7.388 -7.546 15.337 101 HE ARG 11 HE ARG 11 -9.528 -7.305 14.194 102 HH11 ARG 11 HH11 ARG 11 -6.978 -8.794 12.291 103 HH12 ARG 11 HH12 ARG 11 -8.086 -9.576 11.208 104 HH21 ARG 11 HH21 ARG 11 -10.971 -8.354 12.754 105 HH22 ARG 11 HH22 ARG 11 -10.339 -9.342 11.478 106 H LEU 12 HN LEU 12 -4.434 -3.997 11.897 107 HA LEU 12 HA LEU 12 -3.337 -3.083 14.350 108 HB2 LEU 12 HB2 LEU 12 -1.143 -2.973 13.119 109 HB3 LEU 12 HB1 LEU 12 -1.983 -4.507 13.043 110 HG LEU 12 HG LEU 12 -2.852 -3.352 10.696 111 HD11 LEU 12 HD11 LEU 12 -0.962 -2.345 9.511 112 HD12 LEU 12 HD12 LEU 12 -0.007 -2.354 10.995 113 HD13 LEU 12 HD13 LEU 12 -1.464 -1.362 10.884 114 HD21 LEU 12 HD21 LEU 12 -2.008 -5.630 10.929 115 HD22 LEU 12 HD22 LEU 12 -0.345 -5.032 10.998 116 HD23 LEU 12 HD23 LEU 12 -1.300 -4.833 9.524 117 H SER 13 HN SER 13 -3.589 -1.303 11.213 118 HA SER 13 HA SER 13 -3.094 1.269 11.996 119 HB2 SER 13 HB2 SER 13 -3.821 0.525 9.698 120 HB3 SER 13 HB1 SER 13 -5.485 0.491 10.272 121 HG SER 13 HG SER 13 -5.041 2.788 10.870 122 H ASP 14 HN ASP 14 -5.801 -0.573 12.735 123 HA ASP 14 HA ASP 14 -7.528 1.413 14.038 124 HB2 ASP 14 HB2 ASP 14 -8.589 -0.710 13.375 125 HB3 ASP 14 HB1 ASP 14 -7.578 -1.596 14.501 126 H ARG 15 HN ARG 15 -5.133 -0.879 15.212 127 HA ARG 15 HA ARG 15 -5.232 -0.287 17.975 128 HB2 ARG 15 HB2 ARG 15 -4.097 -2.309 16.927 129 HB3 ARG 15 HB1 ARG 15 -2.740 -1.266 16.521 130 HG2 ARG 15 HG2 ARG 15 -2.248 -2.497 18.565 131 HG3 ARG 15 HG1 ARG 15 -2.392 -0.772 18.926 132 HD2 ARG 15 HD2 ARG 15 -4.853 -1.295 19.541 133 HD3 ARG 15 HD1 ARG 15 -4.360 -2.989 19.531 134 HE ARG 15 HE ARG 15 -2.689 -2.349 21.276 135 HH11 ARG 15 HH11 ARG 15 -5.646 -0.473 20.878 136 HH12 ARG 15 HH12 ARG 15 -5.630 0.111 22.513 137 HH21 ARG 15 HH21 ARG 15 -2.704 -1.585 23.426 138 HH22 ARG 15 HH22 ARG 15 -3.970 -0.520 23.950 139 H LEU 16 HN LEU 16 -2.973 1.097 15.473 140 HA LEU 16 HA LEU 16 -1.634 2.772 17.408 141 HB2 LEU 16 HB2 LEU 16 -0.912 1.792 14.979 142 HB3 LEU 16 HB1 LEU 16 -1.469 3.364 14.457 143 HG LEU 16 HG LEU 16 0.988 3.294 14.785 144 HD11 LEU 16 HD11 LEU 16 -0.341 5.133 16.794 145 HD12 LEU 16 HD12 LEU 16 -0.132 5.449 15.070 146 HD13 LEU 16 HD13 LEU 16 1.281 5.318 16.115 147 HD21 LEU 16 HD21 LEU 16 1.094 1.616 16.573 148 HD22 LEU 16 HD22 LEU 16 0.414 2.776 17.716 149 HD23 LEU 16 HD23 LEU 16 1.997 3.068 16.996 150 H ASP 17 HN ASP 17 -3.981 3.298 14.894 151 HA ASP 17 HA ASP 17 -4.893 5.908 15.254 152 HB2 ASP 17 HB2 ASP 17 -6.007 4.295 13.667 153 HB3 ASP 17 HB1 ASP 17 -6.887 3.616 15.032 154 H ALA 18 HN ALA 18 -5.644 3.201 17.270 155 HA ALA 18 HA ALA 18 -7.188 4.552 19.283 156 HB1 ALA 18 HB1 ALA 18 -7.291 2.107 18.984 157 HB2 ALA 18 HB2 ALA 18 -6.907 2.552 20.647 158 HB3 ALA 18 HB3 ALA 18 -5.633 1.968 19.574 159 H ILE 19 HN ILE 19 -3.757 3.899 18.881 160 HA ILE 19 HA ILE 19 -2.904 4.900 21.431 161 HB ILE 19 HB ILE 19 -1.284 4.425 18.903 162 HG12 ILE 19 HG12 ILE 19 -1.627 2.958 21.557 163 HG13 ILE 19 HG11 ILE 19 -1.977 2.360 19.939 164 HG21 ILE 19 HG21 ILE 19 0.788 4.809 20.208 165 HG22 ILE 19 HG22 ILE 19 -0.173 5.340 21.591 166 HG23 ILE 19 HG23 ILE 19 -0.179 6.280 20.099 167 HD11 ILE 19 HD11 ILE 19 -0.025 1.289 20.830 168 HD12 ILE 19 HD12 ILE 19 0.747 2.843 21.139 169 HD13 ILE 19 HD13 ILE 19 0.448 2.319 19.481 170 H ARG 20 HN ARG 20 -2.711 6.654 18.182 171 HA ARG 20 HA ARG 20 -2.130 9.174 19.236 172 HB2 ARG 20 HB2 ARG 20 -3.107 10.096 17.104 173 HB3 ARG 20 HB1 ARG 20 -1.946 8.799 16.841 174 HG2 ARG 20 HG2 ARG 20 -3.722 7.213 16.399 175 HG3 ARG 20 HG1 ARG 20 -4.954 8.386 16.848 176 HD2 ARG 20 HD2 ARG 20 -3.085 8.780 14.492 177 HD3 ARG 20 HD1 ARG 20 -4.659 7.983 14.358 178 HE ARG 20 HE ARG 20 -4.239 10.806 15.190 179 HH11 ARG 20 HH11 ARG 20 -6.305 8.377 13.668 180 HH12 ARG 20 HH12 ARG 20 -7.466 9.547 13.127 181 HH21 ARG 20 HH21 ARG 20 -5.812 12.300 14.497 182 HH22 ARG 20 HH22 ARG 20 -7.193 11.754 13.597 183 H HIS 21 HN HIS 21 -5.100 7.517 18.996 184 HA HIS 21 HA HIS 21 -6.913 9.616 19.829 185 HB2 HIS 21 HB2 HIS 21 -7.591 7.267 18.944 186 HB3 HIS 21 HB1 HIS 21 -7.405 6.717 20.600 187 HD1 HIS 21 HD1 HIS 21 -8.933 8.257 22.384 188 HD2 HIS 21 HD2 HIS 21 -10.076 8.157 18.383 189 HE1 HIS 21 HE1 HIS 21 -11.331 8.995 22.344 190 HE2 HIS 21 HE2 HIS 21 -12.028 8.843 19.929 191 H GLN 22 HN GLN 22 -5.164 7.178 21.552 192 HA GLN 22 HA GLN 22 -5.916 7.752 24.228 193 HB2 GLN 22 HB2 GLN 22 -5.055 5.619 23.964 194 HB3 GLN 22 HB1 GLN 22 -3.798 6.137 22.852 195 HG2 GLN 22 HG2 GLN 22 -2.539 7.084 24.790 196 HG3 GLN 22 HG1 GLN 22 -3.769 6.409 25.866 197 HE21 GLN 22 HE21 GLN 22 -1.273 5.620 23.520 198 HE22 GLN 22 HE22 GLN 22 -1.027 3.988 24.030 199 H GLN 23 HN GLN 23 -3.282 8.991 22.224 200 HA GLN 23 HA GLN 23 -2.151 10.547 24.462 201 HB2 GLN 23 HB2 GLN 23 -1.081 10.269 21.619 202 HB3 GLN 23 HB1 GLN 23 -0.231 10.954 23.008 203 HG2 GLN 23 HG2 GLN 23 -0.318 8.723 24.116 204 HG3 GLN 23 HG1 GLN 23 -1.099 8.065 22.681 205 HE21 GLN 23 HE21 GLN 23 1.891 8.964 24.127 206 HE22 GLN 23 HE22 GLN 23 2.919 8.500 22.823 207 H ALA 24 HN ALA 24 -3.843 11.033 21.487 208 HA ALA 24 HA ALA 24 -4.436 13.755 21.657 209 HB1 ALA 24 HB1 ALA 24 -5.638 12.387 19.994 210 HB2 ALA 24 HB2 ALA 24 -6.755 13.412 20.898 211 HB3 ALA 24 HB3 ALA 24 -6.634 11.691 21.273 212 H ASP 25 HN ASP 25 -5.595 11.163 23.764 213 HA ASP 25 HA ASP 25 -7.085 12.970 25.516 214 HB2 ASP 25 HB2 ASP 25 -6.609 9.961 25.588 215 HB3 ASP 25 HB1 ASP 25 -7.468 10.823 26.855 216 H LEU 26 HN LEU 26 -3.832 11.731 25.328 217 HA LEU 26 HA LEU 26 -3.288 12.600 28.132 218 HB2 LEU 26 HB2 LEU 26 -1.828 10.398 26.630 219 HB3 LEU 26 HB1 LEU 26 -1.513 10.908 28.285 220 HG LEU 26 HG LEU 26 -4.021 9.524 27.268 221 HD11 LEU 26 HD11 LEU 26 -3.321 7.650 28.673 222 HD12 LEU 26 HD12 LEU 26 -1.831 8.504 29.090 223 HD13 LEU 26 HD13 LEU 26 -2.146 8.026 27.417 224 HD21 LEU 26 HD21 LEU 26 -4.644 11.092 29.022 225 HD22 LEU 26 HD22 LEU 26 -3.403 10.438 30.098 226 HD23 LEU 26 HD23 LEU 26 -4.773 9.435 29.607 227 H SER 27 HN SER 27 -1.148 13.442 28.600 228 HA SER 27 HA SER 27 0.494 14.266 26.282 229 HB2 SER 27 HB2 SER 27 -0.952 16.201 26.806 230 HB3 SER 27 HB1 SER 27 -0.426 16.165 28.484 231 HG SER 27 HG SER 27 0.677 17.736 27.225 232 H LEU 28 HN LEU 28 2.644 15.147 27.008 233 HA LEU 28 HA LEU 28 3.845 13.179 28.739 234 HB2 LEU 28 HB2 LEU 28 5.959 13.792 27.857 235 HB3 LEU 28 HB1 LEU 28 4.827 13.769 26.535 236 HG LEU 28 HG LEU 28 6.246 15.551 26.033 237 HD11 LEU 28 HD11 LEU 28 5.001 17.637 26.180 238 HD12 LEU 28 HD12 LEU 28 3.900 16.906 27.352 239 HD13 LEU 28 HD13 LEU 28 3.986 16.280 25.704 240 HD21 LEU 28 HD21 LEU 28 7.461 15.671 28.115 241 HD22 LEU 28 HD22 LEU 28 6.127 16.531 28.885 242 HD23 LEU 28 HD23 LEU 28 7.025 17.286 27.561 243 H VAL 29 HN VAL 29 3.050 16.560 29.083 244 HA VAL 29 HA VAL 29 4.796 17.024 31.359 245 HB VAL 29 HB VAL 29 2.465 18.728 30.350 246 HG11 VAL 29 HG11 VAL 29 4.726 19.495 32.245 247 HG12 VAL 29 HG12 VAL 29 3.034 19.273 32.689 248 HG13 VAL 29 HG13 VAL 29 3.495 20.594 31.616 249 HG21 VAL 29 HG21 VAL 29 4.195 20.128 29.249 250 HG22 VAL 29 HG22 VAL 29 4.186 18.482 28.615 251 HG23 VAL 29 HG23 VAL 29 5.438 18.978 29.754 252 H GLU 30 HN GLU 30 1.422 16.142 30.839 253 HA GLU 30 HA GLU 30 0.716 16.311 33.667 254 HB2 GLU 30 HB2 GLU 30 -1.523 15.543 32.942 255 HB3 GLU 30 HB1 GLU 30 -0.972 16.918 31.986 256 HG2 GLU 30 HG2 GLU 30 -0.271 15.319 30.194 257 HG3 GLU 30 HG1 GLU 30 -0.962 14.006 31.140 258 H ALA 31 HN ALA 31 1.717 13.844 31.365 259 HA ALA 31 HA ALA 31 1.833 11.835 33.510 260 HB1 ALA 31 HB1 ALA 31 -0.376 11.514 32.437 261 HB2 ALA 31 HB2 ALA 31 0.688 10.146 32.127 262 HB3 ALA 31 HB3 ALA 31 0.409 11.342 30.862 263 H ALA 32 HN ALA 32 4.125 12.496 33.241 264 HA ALA 32 HA ALA 32 5.677 12.369 31.023 265 HB1 ALA 32 HB1 ALA 32 6.529 11.609 33.831 266 HB2 ALA 32 HB2 ALA 32 6.391 13.256 33.214 267 HB3 ALA 32 HB3 ALA 32 7.590 12.158 32.530 268 H ASP 33 HN ASP 33 6.347 9.717 33.339 269 HA ASP 33 HA ASP 33 7.348 7.850 31.671 270 HB2 ASP 33 HB2 ASP 33 7.368 7.627 34.115 271 HB3 ASP 33 HB1 ASP 33 5.633 7.331 34.133 272 H LYS 34 HN LYS 34 3.922 8.306 32.361 273 HA LYS 34 HA LYS 34 2.880 5.996 31.153 274 HB2 LYS 34 HB2 LYS 34 1.466 7.444 32.547 275 HB3 LYS 34 HB1 LYS 34 1.595 8.749 31.378 276 HG2 LYS 34 HG2 LYS 34 -0.594 7.635 31.253 277 HG3 LYS 34 HG1 LYS 34 0.301 7.469 29.739 278 HD2 LYS 34 HD2 LYS 34 0.968 5.167 30.402 279 HD3 LYS 34 HD1 LYS 34 0.057 5.346 31.907 280 HE2 LYS 34 HE2 LYS 34 -2.033 5.577 30.623 281 HE3 LYS 34 HE1 LYS 34 -1.132 5.450 29.109 282 HZ1 LYS 34 HZ1 LYS 34 -1.317 3.355 31.192 283 HZ2 LYS 34 HZ2 LYS 34 -0.475 3.222 29.730 284 HZ3 LYS 34 HZ3 LYS 34 -2.161 3.367 29.729 285 H TYR 35 HN TYR 35 2.954 9.216 29.781 286 HA TYR 35 HA TYR 35 2.434 8.583 27.084 287 HB2 TYR 35 HB2 TYR 35 2.261 10.904 27.927 288 HB3 TYR 35 HB1 TYR 35 4.007 10.981 28.120 289 HD1 TYR 35 HD2 TYR 35 1.233 11.049 25.684 290 HD2 TYR 35 HD1 TYR 35 5.483 11.249 26.128 291 HE1 TYR 35 HE2 TYR 35 1.449 11.852 23.371 292 HE2 TYR 35 HE1 TYR 35 5.688 12.060 23.827 293 HH TYR 35 HH TYR 35 4.429 11.936 21.737 294 H ALA 36 HN ALA 36 5.457 8.641 28.841 295 HA ALA 36 HA ALA 36 7.274 8.490 26.700 296 HB1 ALA 36 HB1 ALA 36 7.980 9.090 28.976 297 HB2 ALA 36 HB2 ALA 36 8.927 7.733 28.361 298 HB3 ALA 36 HB3 ALA 36 7.632 7.453 29.531 299 H GLU 37 HN GLU 37 6.459 5.808 28.822 300 HA GLU 37 HA GLU 37 6.803 3.633 27.328 301 HB2 GLU 37 HB2 GLU 37 4.437 4.086 29.158 302 HB3 GLU 37 HB1 GLU 37 4.997 2.507 28.602 303 HG2 GLU 37 HG2 GLU 37 6.603 4.462 30.277 304 HG3 GLU 37 HG1 GLU 37 5.800 3.007 30.867 305 H LEU 38 HN LEU 38 3.846 5.618 26.984 306 HA LEU 38 HA LEU 38 2.598 4.032 24.996 307 HB2 LEU 38 HB2 LEU 38 2.506 7.062 25.125 308 HB3 LEU 38 HB1 LEU 38 1.363 6.021 24.284 309 HG LEU 38 HG LEU 38 1.747 6.257 27.275 310 HD11 LEU 38 HD11 LEU 38 -0.612 6.994 25.551 311 HD12 LEU 38 HD12 LEU 38 0.534 8.113 26.294 312 HD13 LEU 38 HD13 LEU 38 -0.514 7.130 27.310 313 HD21 LEU 38 HD21 LEU 38 -0.081 4.352 25.796 314 HD22 LEU 38 HD22 LEU 38 -0.119 4.656 27.533 315 HD23 LEU 38 HD23 LEU 38 1.304 3.922 26.801 316 H GLU 39 HN GLU 39 5.197 6.278 24.792 317 HA GLU 39 HA GLU 39 5.469 6.328 21.907 318 HB2 GLU 39 HB2 GLU 39 7.519 7.032 24.047 319 HB3 GLU 39 HB1 GLU 39 7.784 7.246 22.320 320 HG2 GLU 39 HG2 GLU 39 5.623 8.619 23.950 321 HG3 GLU 39 HG1 GLU 39 7.162 9.339 23.493 322 H LYS 40 HN LYS 40 7.289 4.531 24.480 323 HA LYS 40 HA LYS 40 8.753 2.724 23.012 324 HB2 LYS 40 HB2 LYS 40 7.203 1.850 25.483 325 HB3 LYS 40 HB1 LYS 40 8.730 1.198 24.907 326 HG2 LYS 40 HG2 LYS 40 8.330 3.983 26.029 327 HG3 LYS 40 HG1 LYS 40 8.912 2.596 26.950 328 HD2 LYS 40 HD2 LYS 40 10.891 2.474 25.425 329 HD3 LYS 40 HD1 LYS 40 10.310 3.928 24.604 330 HE2 LYS 40 HE2 LYS 40 12.018 4.532 26.244 331 HE3 LYS 40 HE1 LYS 40 10.454 5.176 26.752 332 HZ1 LYS 40 HZ1 LYS 40 11.660 4.176 28.592 333 HZ2 LYS 40 HZ2 LYS 40 11.705 2.690 27.792 334 HZ3 LYS 40 HZ3 LYS 40 10.225 3.334 28.288 335 H GLU 41 HN GLU 41 5.577 2.062 24.215 336 HA GLU 41 HA GLU 41 4.890 -0.403 23.120 337 HB2 GLU 41 HB2 GLU 41 2.902 1.876 23.594 338 HB3 GLU 41 HB1 GLU 41 2.482 0.173 23.400 339 HG2 GLU 41 HG2 GLU 41 3.970 1.460 25.704 340 HG3 GLU 41 HG1 GLU 41 2.365 0.748 25.736 341 H LYS 42 HN LYS 42 4.032 2.744 21.902 342 HA LYS 42 HA LYS 42 3.164 2.182 19.309 343 HB2 LYS 42 HB2 LYS 42 3.108 4.453 20.283 344 HB3 LYS 42 HB1 LYS 42 4.865 4.546 20.194 345 HG2 LYS 42 HG2 LYS 42 4.613 4.289 17.650 346 HG3 LYS 42 HG1 LYS 42 2.881 4.542 17.895 347 HD2 LYS 42 HD2 LYS 42 5.117 6.456 18.619 348 HD3 LYS 42 HD1 LYS 42 3.974 6.644 17.287 349 HE2 LYS 42 HE2 LYS 42 2.119 6.834 18.915 350 HE3 LYS 42 HE1 LYS 42 3.268 6.651 20.244 351 HZ1 LYS 42 HZ1 LYS 42 2.675 8.962 19.826 352 HZ2 LYS 42 HZ2 LYS 42 3.304 8.856 18.258 353 HZ3 LYS 42 HZ3 LYS 42 4.327 8.693 19.596 354 H ALA 43 HN ALA 43 6.568 2.790 20.378 355 HA ALA 43 HA ALA 43 7.782 2.745 17.923 356 HB1 ALA 43 HB1 ALA 43 8.837 3.634 19.951 357 HB2 ALA 43 HB2 ALA 43 9.891 2.467 19.149 358 HB3 ALA 43 HB3 ALA 43 8.996 2.000 20.599 359 H THR 44 HN THR 44 7.887 0.036 20.243 360 HA THR 44 HA THR 44 8.711 -2.042 18.701 361 HB THR 44 HB THR 44 6.657 -2.141 20.953 362 HG1 THR 44 HG1 THR 44 9.226 -1.454 20.918 363 HG21 THR 44 HG21 THR 44 7.448 -4.469 21.333 364 HG22 THR 44 HG22 THR 44 8.446 -4.363 19.882 365 HG23 THR 44 HG23 THR 44 6.687 -4.301 19.749 366 H LEU 45 HN LEU 45 5.328 -0.972 19.104 367 HA LEU 45 HA LEU 45 4.094 -2.867 17.451 368 HB2 LEU 45 HB2 LEU 45 3.345 0.033 17.864 369 HB3 LEU 45 HB1 LEU 45 2.531 -0.900 16.619 370 HG LEU 45 HG LEU 45 2.496 -1.506 19.596 371 HD11 LEU 45 HD11 LEU 45 0.269 -0.628 17.734 372 HD12 LEU 45 HD12 LEU 45 1.061 0.377 18.947 373 HD13 LEU 45 HD13 LEU 45 0.103 -1.012 19.454 374 HD21 LEU 45 HD21 LEU 45 1.222 -3.071 17.319 375 HD22 LEU 45 HD22 LEU 45 0.950 -3.356 19.040 376 HD23 LEU 45 HD23 LEU 45 2.552 -3.613 18.351 377 H GLU 46 HN GLU 46 5.368 0.269 16.364 378 HA GLU 46 HA GLU 46 5.453 -0.124 13.653 379 HB2 GLU 46 HB2 GLU 46 7.571 1.309 15.290 380 HB3 GLU 46 HB1 GLU 46 7.273 1.533 13.568 381 HG2 GLU 46 HG2 GLU 46 5.026 2.419 14.077 382 HG3 GLU 46 HG1 GLU 46 5.311 2.180 15.796 383 H ALA 47 HN ALA 47 8.379 -0.573 15.584 384 HA ALA 47 HA ALA 47 10.215 -1.865 14.084 385 HB1 ALA 47 HB1 ALA 47 9.559 -2.644 16.943 386 HB2 ALA 47 HB2 ALA 47 10.563 -1.278 16.443 387 HB3 ALA 47 HB3 ALA 47 11.101 -2.928 16.125 388 H GLU 48 HN GLU 48 8.016 -3.769 15.981 389 HA GLU 48 HA GLU 48 8.029 -6.312 14.942 390 HB2 GLU 48 HB2 GLU 48 6.653 -5.794 16.896 391 HB3 GLU 48 HB1 GLU 48 5.594 -4.767 15.944 392 HG2 GLU 48 HG2 GLU 48 4.356 -6.724 16.290 393 HG3 GLU 48 HG1 GLU 48 4.940 -6.864 14.639 394 H ILE 49 HN ILE 49 5.608 -3.946 13.998 395 HA ILE 49 HA ILE 49 4.665 -5.476 11.758 396 HB ILE 49 HB ILE 49 3.147 -3.736 11.125 397 HG12 ILE 49 HG12 ILE 49 4.665 -1.848 12.985 398 HG13 ILE 49 HG11 ILE 49 4.663 -1.767 11.231 399 HG21 ILE 49 HG21 ILE 49 1.897 -3.358 13.221 400 HG22 ILE 49 HG22 ILE 49 3.315 -3.841 14.152 401 HG23 ILE 49 HG23 ILE 49 2.503 -5.012 13.112 402 HD11 ILE 49 HD11 ILE 49 2.300 -1.283 13.035 403 HD12 ILE 49 HD12 ILE 49 2.285 -1.194 11.272 404 HD13 ILE 49 HD13 ILE 49 3.261 -0.059 12.204 405 H ALA 50 HN ALA 50 7.462 -3.590 12.026 406 HA ALA 50 HA ALA 50 7.622 -2.831 9.236 407 HB1 ALA 50 HB1 ALA 50 8.380 -1.247 10.960 408 HB2 ALA 50 HB2 ALA 50 9.732 -1.753 9.944 409 HB3 ALA 50 HB3 ALA 50 9.538 -2.433 11.565 410 H ARG 51 HN ARG 51 9.563 -4.819 11.591 411 HA ARG 51 HA ARG 51 10.950 -6.456 9.966 412 HB2 ARG 51 HB2 ARG 51 10.841 -6.599 12.485 413 HB3 ARG 51 HB1 ARG 51 9.323 -7.474 12.331 414 HG2 ARG 51 HG2 ARG 51 11.142 -9.038 12.730 415 HG3 ARG 51 HG1 ARG 51 10.503 -9.283 11.101 416 HD2 ARG 51 HD2 ARG 51 12.369 -8.024 10.143 417 HD3 ARG 51 HD1 ARG 51 12.976 -7.649 11.761 418 HE ARG 51 HE ARG 51 12.803 -10.449 11.437 419 HH11 ARG 51 HH11 ARG 51 14.701 -7.754 10.237 420 HH12 ARG 51 HH12 ARG 51 16.160 -8.682 10.111 421 HH21 ARG 51 HH21 ARG 51 14.703 -11.656 11.240 422 HH22 ARG 51 HH22 ARG 51 16.159 -10.900 10.672 423 H LEU 52 HN LEU 52 7.688 -6.945 10.907 424 HA LEU 52 HA LEU 52 6.777 -9.058 9.331 425 HB2 LEU 52 HB2 LEU 52 5.400 -6.730 10.613 426 HB3 LEU 52 HB1 LEU 52 4.514 -7.463 9.298 427 HG LEU 52 HG LEU 52 3.865 -8.318 11.567 428 HD11 LEU 52 HD11 LEU 52 4.993 -10.416 9.691 429 HD12 LEU 52 HD12 LEU 52 3.408 -9.643 9.569 430 HD13 LEU 52 HD13 LEU 52 3.777 -10.680 10.945 431 HD21 LEU 52 HD21 LEU 52 6.628 -9.584 11.589 432 HD22 LEU 52 HD22 LEU 52 5.341 -9.864 12.767 433 HD23 LEU 52 HD23 LEU 52 6.080 -8.272 12.635 434 H ARG 53 HN ARG 53 6.512 -5.588 8.500 435 HA ARG 53 HA ARG 53 5.886 -6.062 5.780 436 HB2 ARG 53 HB2 ARG 53 6.686 -3.545 7.257 437 HB3 ARG 53 HB1 ARG 53 6.359 -3.538 5.525 438 HG2 ARG 53 HG2 ARG 53 4.069 -4.374 5.955 439 HG3 ARG 53 HG1 ARG 53 4.383 -4.339 7.694 440 HD2 ARG 53 HD2 ARG 53 3.144 -2.336 6.982 441 HD3 ARG 53 HD1 ARG 53 4.749 -1.898 7.580 442 HE ARG 53 HE ARG 53 4.220 -2.213 4.685 443 HH11 ARG 53 HH11 ARG 53 5.356 -0.172 7.310 444 HH12 ARG 53 HH12 ARG 53 5.907 1.083 6.248 445 HH21 ARG 53 HH21 ARG 53 4.951 -0.574 3.319 446 HH22 ARG 53 HH22 ARG 53 5.673 0.858 3.982 447 H GLU 54 HN GLU 54 9.090 -6.046 7.231 448 HA GLU 54 HA GLU 54 10.336 -5.297 4.691 449 HB2 GLU 54 HB2 GLU 54 12.516 -5.569 5.697 450 HB3 GLU 54 HB1 GLU 54 11.509 -4.645 6.803 451 HG2 GLU 54 HG2 GLU 54 11.221 -6.580 8.225 452 HG3 GLU 54 HG1 GLU 54 12.076 -7.605 7.085 453 H VAL 55 HN VAL 55 10.443 -8.262 6.720 454 HA VAL 55 HA VAL 55 10.753 -10.233 4.889 455 HB VAL 55 HB VAL 55 8.596 -10.238 7.056 456 HG11 VAL 55 HG11 VAL 55 9.827 -12.613 5.593 457 HG12 VAL 55 HG12 VAL 55 8.159 -12.058 5.446 458 HG13 VAL 55 HG13 VAL 55 8.731 -12.718 6.977 459 HG21 VAL 55 HG21 VAL 55 10.306 -11.402 8.430 460 HG22 VAL 55 HG22 VAL 55 10.850 -9.800 7.940 461 HG23 VAL 55 HG23 VAL 55 11.480 -11.227 7.116 462 H HIS 56 HN HIS 56 7.641 -8.307 5.222 463 HA HIS 56 HA HIS 56 6.684 -9.546 2.780 464 HB2 HIS 56 HB2 HIS 56 5.393 -7.713 4.837 465 HB3 HIS 56 HB1 HIS 56 4.625 -8.102 3.301 466 HD1 HIS 56 HD1 HIS 56 3.028 -9.966 3.467 467 HD2 HIS 56 HD2 HIS 56 6.036 -10.317 6.301 468 HE1 HIS 56 HE1 HIS 56 2.423 -11.978 4.832 469 HE2 HIS 56 HE2 HIS 56 4.197 -12.098 6.618 470 H SER 57 HN SER 57 9.042 -7.850 2.695 471 HA SER 57 HA SER 57 8.097 -6.214 0.423 472 HB2 SER 57 HB2 SER 57 10.363 -5.509 2.347 473 HB3 SER 57 HB1 SER 57 10.157 -4.739 0.769 474 HG SER 57 HG SER 57 7.929 -4.828 2.423 475 H GLN 58 HN GLN 58 10.985 -7.744 1.880 476 HA GLN 58 HA GLN 58 12.318 -8.840 -0.242 477 HB2 GLN 58 HB2 GLN 58 11.555 -10.341 2.310 478 HB3 GLN 58 HB1 GLN 58 12.924 -10.714 1.265 479 HG2 GLN 58 HG2 GLN 58 14.136 -8.808 1.991 480 HG3 GLN 58 HG1 GLN 58 12.702 -8.049 2.680 481 HE21 GLN 58 HE21 GLN 58 13.554 -7.803 4.751 482 HE22 GLN 58 HE22 GLN 58 13.907 -9.137 5.793 483 H LYS 59 HN LYS 59 9.383 -9.954 1.335 484 HA LYS 59 HA LYS 59 8.489 -11.357 -1.097 485 HB2 LYS 59 HB2 LYS 59 8.232 -12.311 1.796 486 HB3 LYS 59 HB1 LYS 59 7.211 -12.923 0.520 487 HG2 LYS 59 HG2 LYS 59 8.854 -14.567 0.649 488 HG3 LYS 59 HG1 LYS 59 9.439 -13.563 -0.673 489 HD2 LYS 59 HD2 LYS 59 10.848 -12.346 1.167 490 HD3 LYS 59 HD1 LYS 59 10.485 -13.754 2.165 491 HE2 LYS 59 HE2 LYS 59 11.940 -13.756 -0.507 492 HE3 LYS 59 HE1 LYS 59 12.669 -13.999 1.080 493 HZ1 LYS 59 HZ1 LYS 59 11.336 -16.014 1.319 494 HZ2 LYS 59 HZ2 LYS 59 12.355 -16.088 -0.027 495 HZ3 LYS 59 HZ3 LYS 59 10.706 -15.788 -0.237 496 H LEU 60 HN LEU 60 7.541 -9.231 -1.562 497 HA LEU 60 HA LEU 60 5.888 -7.733 0.161 498 HB2 LEU 60 HB2 LEU 60 6.855 -7.493 -2.537 499 HB3 LEU 60 HB1 LEU 60 5.133 -7.214 -2.607 500 HG LEU 60 HG LEU 60 7.179 -5.596 -1.021 501 HD11 LEU 60 HD11 LEU 60 6.543 -3.739 -2.518 502 HD12 LEU 60 HD12 LEU 60 5.462 -4.815 -3.404 503 HD13 LEU 60 HD13 LEU 60 7.203 -5.104 -3.416 504 HD21 LEU 60 HD21 LEU 60 5.115 -5.737 0.299 505 HD22 LEU 60 HD22 LEU 60 4.168 -5.204 -1.091 506 HD23 LEU 60 HD23 LEU 60 5.333 -4.109 -0.342 507 H SER 61 HN SER 61 3.549 -7.048 -1.074 508 HA SER 61 HA SER 61 1.631 -8.931 -0.316 509 HB2 SER 61 HB2 SER 61 1.224 -6.476 -0.526 510 HB3 SER 61 HB1 SER 61 1.300 -6.619 -2.281 511 HG SER 61 HG SER 61 -0.735 -7.162 -0.572 512 H LYS 62 HN LYS 62 -0.079 -9.870 -1.829 513 HA LYS 62 HA LYS 62 1.003 -12.047 -3.057 514 HB2 LYS 62 HB2 LYS 62 -1.709 -10.813 -3.686 515 HB3 LYS 62 HB1 LYS 62 -1.233 -12.459 -4.102 516 HG2 LYS 62 HG2 LYS 62 -0.972 -12.997 -1.719 517 HG3 LYS 62 HG1 LYS 62 -1.429 -11.346 -1.290 518 HD2 LYS 62 HD2 LYS 62 -3.666 -11.713 -2.305 519 HD3 LYS 62 HD1 LYS 62 -3.209 -13.371 -2.711 520 HE2 LYS 62 HE2 LYS 62 -4.589 -13.258 -0.661 521 HE3 LYS 62 HE1 LYS 62 -2.986 -13.913 -0.329 522 HZ1 LYS 62 HZ1 LYS 62 -3.588 -12.346 1.361 523 HZ2 LYS 62 HZ2 LYS 62 -3.907 -11.144 0.222 524 HZ3 LYS 62 HZ3 LYS 62 -2.327 -11.692 0.455 525 H GLU 63 HN GLU 63 -0.815 -9.855 -5.150 526 HA GLU 63 HA GLU 63 -0.107 -10.249 -7.640 527 HB2 GLU 63 HB2 GLU 63 -0.414 -7.595 -6.207 528 HB3 GLU 63 HB1 GLU 63 -0.096 -7.631 -7.930 529 HG2 GLU 63 HG2 GLU 63 -2.419 -7.359 -7.594 530 HG3 GLU 63 HG1 GLU 63 -2.132 -8.953 -8.281 531 H ALA 64 HN ALA 64 1.893 -8.149 -5.531 532 HA ALA 64 HA ALA 64 3.822 -7.553 -7.509 533 HB1 ALA 64 HB1 ALA 64 3.513 -6.138 -5.524 534 HB2 ALA 64 HB2 ALA 64 5.188 -6.679 -5.643 535 HB3 ALA 64 HB3 ALA 64 4.095 -7.438 -4.481 536 H GLN 65 HN GLN 65 3.784 -9.811 -4.800 537 HA GLN 65 HA GLN 65 6.278 -11.101 -5.065 538 HB2 GLN 65 HB2 GLN 65 3.737 -11.728 -3.669 539 HB3 GLN 65 HB1 GLN 65 4.581 -13.178 -4.189 540 HG2 GLN 65 HG2 GLN 65 5.762 -10.987 -2.461 541 HG3 GLN 65 HG1 GLN 65 5.144 -12.536 -1.885 542 HE21 GLN 65 HE21 GLN 65 7.772 -10.937 -3.564 543 HE22 GLN 65 HE22 GLN 65 8.869 -12.270 -3.528 544 H LYS 66 HN LYS 66 3.315 -11.523 -6.901 545 HA LYS 66 HA LYS 66 4.030 -13.923 -8.317 546 HB2 LYS 66 HB2 LYS 66 1.647 -13.140 -7.812 547 HB3 LYS 66 HB1 LYS 66 1.896 -11.807 -8.921 548 HG2 LYS 66 HG2 LYS 66 0.702 -13.291 -10.234 549 HG3 LYS 66 HG1 LYS 66 2.366 -13.671 -10.698 550 HD2 LYS 66 HD2 LYS 66 2.366 -15.609 -9.178 551 HD3 LYS 66 HD1 LYS 66 0.741 -15.190 -8.617 552 HE2 LYS 66 HE2 LYS 66 -0.138 -15.585 -10.903 553 HE3 LYS 66 HE1 LYS 66 1.482 -16.010 -11.454 554 HZ1 LYS 66 HZ1 LYS 66 -0.153 -17.469 -9.458 555 HZ2 LYS 66 HZ2 LYS 66 1.442 -17.852 -9.845 556 HZ3 LYS 66 HZ3 LYS 66 0.238 -17.987 -11.020 557 H LEU 67 HN LEU 67 3.435 -10.608 -9.365 558 HA LEU 67 HA LEU 67 4.706 -10.247 -11.698 559 HB2 LEU 67 HB2 LEU 67 5.087 -8.284 -9.395 560 HB3 LEU 67 HB1 LEU 67 5.408 -7.930 -11.083 561 HG LEU 67 HG LEU 67 2.663 -8.526 -9.892 562 HD11 LEU 67 HD11 LEU 67 2.141 -6.175 -10.329 563 HD12 LEU 67 HD12 LEU 67 3.777 -5.901 -10.935 564 HD13 LEU 67 HD13 LEU 67 3.522 -6.309 -9.237 565 HD21 LEU 67 HD21 LEU 67 1.715 -7.985 -12.066 566 HD22 LEU 67 HD22 LEU 67 2.834 -9.334 -12.231 567 HD23 LEU 67 HD23 LEU 67 3.327 -7.716 -12.741 568 H MET 68 HN MET 68 6.400 -10.873 -8.700 569 HA MET 68 HA MET 68 9.069 -10.444 -9.895 570 HB2 MET 68 HB2 MET 68 8.321 -11.217 -7.047 571 HB3 MET 68 HB1 MET 68 9.974 -11.018 -7.627 572 HG2 MET 68 HG2 MET 68 9.246 -8.646 -8.311 573 HG3 MET 68 HG1 MET 68 7.845 -8.914 -7.283 574 HE1 MET 68 HE1 MET 68 10.224 -6.489 -5.212 575 HE2 MET 68 HE2 MET 68 8.623 -6.658 -5.933 576 HE3 MET 68 HE3 MET 68 10.050 -6.531 -6.966 577 H LYS 69 HN LYS 69 6.978 -13.061 -8.899 578 HA LYS 69 HA LYS 69 8.890 -15.066 -10.055 579 HB2 LYS 69 HB2 LYS 69 7.716 -16.825 -8.900 580 HB3 LYS 69 HB1 LYS 69 8.028 -15.530 -7.753 581 HG2 LYS 69 HG2 LYS 69 5.670 -14.790 -7.982 582 HG3 LYS 69 HG1 LYS 69 5.370 -16.129 -9.091 583 HD2 LYS 69 HD2 LYS 69 5.936 -17.733 -7.297 584 HD3 LYS 69 HD1 LYS 69 6.251 -16.392 -6.195 585 HE2 LYS 69 HE2 LYS 69 3.876 -15.711 -6.368 586 HE3 LYS 69 HE1 LYS 69 3.574 -17.074 -7.452 587 HZ1 LYS 69 HZ1 LYS 69 4.561 -17.315 -4.659 588 HZ2 LYS 69 HZ2 LYS 69 4.143 -18.589 -5.687 589 HZ3 LYS 69 HZ3 LYS 69 2.953 -17.524 -5.132 590 H MET 70 HN MET 70 7.207 -13.259 -11.698 591 HA MET 70 HA MET 70 4.964 -14.520 -12.850 592 HB2 MET 70 HB2 MET 70 6.630 -12.140 -13.461 593 HB3 MET 70 HB1 MET 70 5.947 -12.863 -14.905 594 HG2 MET 70 HG2 MET 70 4.309 -12.014 -12.516 595 HG3 MET 70 HG1 MET 70 4.597 -11.012 -13.931 596 HE1 MET 70 HE1 MET 70 1.642 -11.398 -13.118 597 HE2 MET 70 HE2 MET 70 0.878 -11.938 -14.615 598 HE3 MET 70 HE3 MET 70 2.086 -10.650 -14.655 599 HA PRO 71 HA PRO 71 6.923 -17.344 -15.732 600 HB2 PRO 71 HB2 PRO 71 5.029 -17.572 -17.706 601 HB3 PRO 71 HB1 PRO 71 4.922 -18.400 -16.148 602 HG2 PRO 71 HG2 PRO 71 3.504 -15.946 -17.095 603 HG3 PRO 71 HG1 PRO 71 2.929 -17.233 -16.017 604 HD2 PRO 71 HD2 PRO 71 3.831 -14.740 -15.175 605 HD3 PRO 71 HD1 PRO 71 3.762 -16.179 -14.147 606 H PHE 72 HN PHE 72 5.270 -14.643 -17.713 607 HA PHE 72 HA PHE 72 7.655 -14.731 -19.423 608 HB2 PHE 72 HB2 PHE 72 4.767 -14.193 -20.305 609 HB3 PHE 72 HB1 PHE 72 6.190 -14.065 -21.333 610 HD1 PHE 72 HD2 PHE 72 3.968 -16.436 -19.534 611 HD2 PHE 72 HD1 PHE 72 7.142 -16.045 -22.372 612 HE1 PHE 72 HE2 PHE 72 3.669 -18.785 -20.190 613 HE2 PHE 72 HE1 PHE 72 6.837 -18.399 -23.020 614 HZ PHE 72 HZ PHE 72 5.108 -19.774 -21.929 615 H GLN 73 HN GLN 73 8.604 -12.785 -19.155 616 HA GLN 73 HA GLN 73 7.121 -10.298 -18.682 617 HB2 GLN 73 HB2 GLN 73 8.220 -9.681 -16.597 618 HB3 GLN 73 HB1 GLN 73 7.418 -11.232 -16.386 619 HG2 GLN 73 HG2 GLN 73 10.399 -10.895 -16.887 620 HG3 GLN 73 HG1 GLN 73 9.674 -11.046 -15.291 621 HE21 GLN 73 HE21 GLN 73 8.766 -13.041 -14.683 622 HE22 GLN 73 HE22 GLN 73 9.191 -14.522 -15.467 623 H ARG 74 HN ARG 74 8.551 -8.309 -18.590 624 HA ARG 74 HA ARG 74 11.339 -8.385 -19.063 625 HB2 ARG 74 HB2 ARG 74 11.422 -7.466 -21.355 626 HB3 ARG 74 HB1 ARG 74 10.649 -9.045 -21.374 627 HG2 ARG 74 HG2 ARG 74 8.436 -7.998 -21.575 628 HG3 ARG 74 HG1 ARG 74 9.164 -6.393 -21.466 629 HD2 ARG 74 HD2 ARG 74 10.393 -6.819 -23.576 630 HD3 ARG 74 HD1 ARG 74 9.646 -8.418 -23.679 631 HE ARG 74 HE ARG 74 7.771 -6.217 -23.516 632 HH11 ARG 74 HH11 ARG 74 9.575 -8.298 -25.710 633 HH12 ARG 74 HH12 ARG 74 8.539 -7.969 -27.064 634 HH21 ARG 74 HH21 ARG 74 6.422 -5.804 -25.326 635 HH22 ARG 74 HH22 ARG 74 6.767 -6.560 -26.847 636 H ALA 75 HN ALA 75 11.969 -6.069 -19.888 637 HA ALA 75 HA ALA 75 10.264 -3.928 -18.690 638 HB1 ALA 75 HB1 ALA 75 12.159 -2.392 -19.037 639 HB2 ALA 75 HB2 ALA 75 13.081 -3.685 -19.813 640 HB3 ALA 75 HB3 ALA 75 12.662 -3.805 -18.103 641 H ILE 76 HN ILE 76 9.444 -1.988 -20.297 642 HA ILE 76 HA ILE 76 8.778 -3.516 -22.711 643 HB ILE 76 HB ILE 76 7.357 -1.218 -21.265 644 HG12 ILE 76 HG12 ILE 76 7.013 -3.431 -20.191 645 HG13 ILE 76 HG11 ILE 76 5.519 -2.822 -20.893 646 HG21 ILE 76 HG21 ILE 76 6.575 -2.549 -23.890 647 HG22 ILE 76 HG22 ILE 76 7.119 -0.885 -23.677 648 HG23 ILE 76 HG23 ILE 76 5.578 -1.398 -22.994 649 HD11 ILE 76 HD11 ILE 76 7.298 -4.938 -22.125 650 HD12 ILE 76 HD12 ILE 76 5.768 -4.354 -22.786 651 HD13 ILE 76 HD13 ILE 76 5.791 -5.224 -21.253 652 H THR 77 HN THR 77 10.177 -2.907 -24.250 653 HA THR 77 HA THR 77 11.806 -0.640 -24.350 654 HB THR 77 HB THR 77 12.182 -1.271 -26.757 655 HG1 THR 77 HG1 THR 77 10.999 -3.295 -27.361 656 HG21 THR 77 HG21 THR 77 12.129 -3.653 -24.858 657 HG22 THR 77 HG22 THR 77 13.439 -2.478 -24.993 658 HG23 THR 77 HG23 THR 77 13.068 -3.542 -26.351 659 H LYS 78 HN LYS 78 11.683 1.338 -25.378 660 HA LYS 78 HA LYS 78 9.415 2.779 -25.946 661 HB2 LYS 78 HB2 LYS 78 12.146 3.088 -27.232 662 HB3 LYS 78 HB1 LYS 78 10.885 4.320 -27.251 663 HG2 LYS 78 HG2 LYS 78 10.978 4.460 -24.782 664 HG3 LYS 78 HG1 LYS 78 12.251 3.233 -24.758 665 HD2 LYS 78 HD2 LYS 78 12.435 5.998 -26.034 666 HD3 LYS 78 HD1 LYS 78 13.191 5.501 -24.517 667 HE2 LYS 78 HE2 LYS 78 14.549 3.834 -25.770 668 HE3 LYS 78 HE1 LYS 78 13.821 4.395 -27.275 669 HZ1 LYS 78 HZ1 LYS 78 14.790 6.554 -26.910 670 HZ2 LYS 78 HZ2 LYS 78 15.990 5.365 -26.881 671 HZ3 LYS 78 HZ3 LYS 78 15.448 6.050 -25.438 672 H LYS 79 HN LYS 79 10.571 0.295 -27.766 673 HA LYS 79 HA LYS 79 9.787 1.121 -30.434 674 HB2 LYS 79 HB2 LYS 79 11.674 -0.547 -30.007 675 HB3 LYS 79 HB1 LYS 79 10.444 -1.722 -29.564 676 HG2 LYS 79 HG2 LYS 79 11.168 -2.085 -31.874 677 HG3 LYS 79 HG1 LYS 79 9.476 -1.579 -31.830 678 HD2 LYS 79 HD2 LYS 79 10.256 0.789 -32.331 679 HD3 LYS 79 HD1 LYS 79 11.880 0.137 -32.556 680 HE2 LYS 79 HE2 LYS 79 9.422 -0.588 -34.182 681 HE3 LYS 79 HE1 LYS 79 10.746 0.451 -34.709 682 HZ1 LYS 79 HZ1 LYS 79 12.237 -1.465 -34.501 683 HZ2 LYS 79 HZ2 LYS 79 11.000 -1.736 -35.617 684 HZ3 LYS 79 HZ3 LYS 79 10.925 -2.450 -34.087 685 H GLU 80 HN GLU 80 8.455 -0.875 -27.825 686 HA GLU 80 HA GLU 80 5.972 -1.510 -29.267 687 HB2 GLU 80 HB2 GLU 80 7.047 -2.368 -26.539 688 HB3 GLU 80 HB1 GLU 80 5.554 -2.952 -27.271 689 HG2 GLU 80 HG2 GLU 80 8.344 -3.388 -28.393 690 HG3 GLU 80 HG1 GLU 80 7.416 -4.565 -27.461 691 H GLN 81 HN GLN 81 7.045 0.148 -26.281 692 HA GLN 81 HA GLN 81 5.006 1.607 -25.638 693 HB2 GLN 81 HB2 GLN 81 7.736 2.813 -26.039 694 HB3 GLN 81 HB1 GLN 81 6.428 3.713 -25.305 695 HG2 GLN 81 HG2 GLN 81 6.296 2.067 -23.482 696 HG3 GLN 81 HG1 GLN 81 7.611 1.143 -24.215 697 HE21 GLN 81 HE21 GLN 81 8.799 1.446 -22.229 698 HE22 GLN 81 HE22 GLN 81 9.609 2.930 -21.893 699 H ALA 82 HN ALA 82 6.577 2.147 -28.784 700 HA ALA 82 HA ALA 82 5.487 4.675 -29.395 701 HB1 ALA 82 HB1 ALA 82 6.020 4.099 -31.735 702 HB2 ALA 82 HB2 ALA 82 6.265 2.411 -31.274 703 HB3 ALA 82 HB3 ALA 82 7.349 3.659 -30.659 704 H ASP 83 HN ASP 83 4.167 1.361 -29.757 705 HA ASP 83 HA ASP 83 1.484 2.509 -30.210 706 HB2 ASP 83 HB2 ASP 83 2.593 1.668 -32.408 707 HB3 ASP 83 HB1 ASP 83 2.391 0.046 -31.765 708 H MET 84 HN MET 84 0.756 2.065 -28.201 709 HA MET 84 HA MET 84 1.219 -0.373 -26.739 710 HB2 MET 84 HB2 MET 84 -0.431 2.120 -26.252 711 HB3 MET 84 HB1 MET 84 -0.728 0.699 -25.255 712 HG2 MET 84 HG2 MET 84 1.974 2.023 -25.564 713 HG3 MET 84 HG1 MET 84 0.849 2.312 -24.228 714 HE1 MET 84 HE1 MET 84 3.871 -0.015 -22.898 715 HE2 MET 84 HE2 MET 84 3.170 1.599 -22.770 716 HE3 MET 84 HE3 MET 84 3.987 1.100 -24.254 717 H GLY 85 HN GLY 85 -1.109 0.603 -29.036 718 HA2 GLY 85 HA2 GLY 85 -3.332 -1.062 -28.191 719 HA3 GLY 85 HA1 GLY 85 -3.155 -0.334 -29.791 720 H LYS 86 HN LYS 86 -1.080 -1.353 -30.918 721 HA LYS 86 HA LYS 86 -1.362 -4.021 -31.599 722 HB2 LYS 86 HB2 LYS 86 -0.026 -2.347 -32.851 723 HB3 LYS 86 HB1 LYS 86 1.162 -2.310 -31.558 724 HG2 LYS 86 HG2 LYS 86 1.361 -4.913 -32.111 725 HG3 LYS 86 HG1 LYS 86 0.671 -4.413 -33.655 726 HD2 LYS 86 HD2 LYS 86 3.098 -4.445 -33.840 727 HD3 LYS 86 HD1 LYS 86 2.541 -2.772 -33.925 728 HE2 LYS 86 HE2 LYS 86 3.180 -2.414 -31.582 729 HE3 LYS 86 HE1 LYS 86 3.644 -4.111 -31.426 730 HZ1 LYS 86 HZ1 LYS 86 5.564 -2.784 -31.755 731 HZ2 LYS 86 HZ2 LYS 86 4.919 -2.066 -33.143 732 HZ3 LYS 86 HZ3 LYS 86 5.325 -3.710 -33.150 733 H LEU 87 HN LEU 87 0.757 -2.584 -29.179 734 HA LEU 87 HA LEU 87 2.310 -4.892 -28.503 735 HB2 LEU 87 HB2 LEU 87 3.179 -2.757 -27.862 736 HB3 LEU 87 HB1 LEU 87 1.717 -2.340 -26.983 737 HG LEU 87 HG LEU 87 2.259 -4.031 -25.259 738 HD11 LEU 87 HD11 LEU 87 4.477 -5.114 -25.160 739 HD12 LEU 87 HD12 LEU 87 4.826 -4.522 -26.785 740 HD13 LEU 87 HD13 LEU 87 3.511 -5.666 -26.527 741 HD21 LEU 87 HD21 LEU 87 2.966 -1.727 -24.920 742 HD22 LEU 87 HD22 LEU 87 4.501 -2.055 -25.723 743 HD23 LEU 87 HD23 LEU 87 4.114 -2.848 -24.193 744 H LYS 88 HN LYS 88 -0.306 -3.386 -26.606 745 HA LYS 88 HA LYS 88 -0.541 -5.383 -24.661 746 HB2 LYS 88 HB2 LYS 88 -2.437 -3.167 -25.539 747 HB3 LYS 88 HB1 LYS 88 -2.686 -4.129 -24.079 748 HG2 LYS 88 HG2 LYS 88 -0.492 -3.335 -23.202 749 HG3 LYS 88 HG1 LYS 88 -0.279 -2.364 -24.656 750 HD2 LYS 88 HD2 LYS 88 -1.026 -0.835 -23.006 751 HD3 LYS 88 HD1 LYS 88 -2.448 -1.159 -23.996 752 HE2 LYS 88 HE2 LYS 88 -1.871 -2.517 -21.337 753 HE3 LYS 88 HE1 LYS 88 -2.892 -1.093 -21.526 754 HZ1 LYS 88 HZ1 LYS 88 -4.224 -3.072 -21.414 755 HZ2 LYS 88 HZ2 LYS 88 -3.392 -3.775 -22.700 756 HZ3 LYS 88 HZ3 LYS 88 -4.353 -2.409 -22.964 757 H LYS 89 HN LYS 89 -2.107 -5.023 -27.737 758 HA LYS 89 HA LYS 89 -4.372 -6.637 -27.581 759 HB2 LYS 89 HB2 LYS 89 -3.842 -5.248 -29.536 760 HB3 LYS 89 HB1 LYS 89 -2.405 -6.198 -29.870 761 HG2 LYS 89 HG2 LYS 89 -3.907 -8.154 -30.385 762 HG3 LYS 89 HG1 LYS 89 -5.282 -7.071 -30.184 763 HD2 LYS 89 HD2 LYS 89 -4.675 -7.355 -32.575 764 HD3 LYS 89 HD1 LYS 89 -4.528 -5.678 -32.048 765 HE2 LYS 89 HE2 LYS 89 -2.638 -6.355 -33.489 766 HE3 LYS 89 HE1 LYS 89 -2.093 -5.920 -31.871 767 HZ1 LYS 89 HZ1 LYS 89 -2.484 -8.691 -32.877 768 HZ2 LYS 89 HZ2 LYS 89 -1.945 -8.277 -31.332 769 HZ3 LYS 89 HZ3 LYS 89 -1.000 -7.910 -32.680 770 H SER 90 HN SER 90 -1.138 -7.591 -28.739 771 HA SER 90 HA SER 90 -1.690 -10.309 -29.188 772 HB2 SER 90 HB2 SER 90 1.009 -8.964 -28.720 773 HB3 SER 90 HB1 SER 90 0.733 -10.490 -29.565 774 HG SER 90 HG SER 90 0.977 -8.599 -30.939 775 H VAL 91 HN VAL 91 -0.003 -8.695 -26.494 776 HA VAL 91 HA VAL 91 1.123 -10.984 -25.319 777 HB VAL 91 HB VAL 91 0.435 -8.429 -23.811 778 HG11 VAL 91 HG11 VAL 91 2.457 -8.958 -22.488 779 HG12 VAL 91 HG12 VAL 91 2.689 -10.434 -23.431 780 HG13 VAL 91 HG13 VAL 91 1.268 -10.260 -22.403 781 HG21 VAL 91 HG21 VAL 91 2.853 -8.905 -25.587 782 HG22 VAL 91 HG22 VAL 91 2.618 -7.509 -24.535 783 HG23 VAL 91 HG23 VAL 91 1.538 -7.784 -25.899 784 H ARG 92 HN ARG 92 -1.904 -9.293 -24.595 785 HA ARG 92 HA ARG 92 -3.869 -9.901 -23.697 786 HB2 ARG 92 HB2 ARG 92 -3.472 -12.211 -24.574 787 HB3 ARG 92 HB1 ARG 92 -2.683 -12.627 -23.058 788 HG2 ARG 92 HG2 ARG 92 -4.826 -12.160 -21.850 789 HG3 ARG 92 HG1 ARG 92 -5.602 -11.845 -23.404 790 HD2 ARG 92 HD2 ARG 92 -6.113 -14.117 -22.664 791 HD3 ARG 92 HD1 ARG 92 -5.095 -14.173 -24.103 792 HE ARG 92 HE ARG 92 -3.285 -14.930 -22.812 793 HH11 ARG 92 HH11 ARG 92 -6.126 -14.482 -20.791 794 HH12 ARG 92 HH12 ARG 92 -5.510 -15.482 -19.513 795 HH21 ARG 92 HH21 ARG 92 -2.511 -16.238 -21.133 796 HH22 ARG 92 HH22 ARG 92 -3.474 -16.484 -19.709 797 H GLY 93 HN GLY 93 -1.430 -11.534 -21.566 798 HA2 GLY 93 HA2 GLY 93 -2.702 -10.471 -19.149 799 HA3 GLY 93 HA1 GLY 93 -1.335 -11.573 -19.222 800 H LEU 94 HN LEU 94 -1.253 -8.769 -21.054 801 HA LEU 94 HA LEU 94 1.201 -7.868 -19.930 802 HB2 LEU 94 HB2 LEU 94 0.672 -7.469 -22.303 803 HB3 LEU 94 HB1 LEU 94 -0.490 -6.242 -21.837 804 HG LEU 94 HG LEU 94 1.260 -4.822 -20.923 805 HD11 LEU 94 HD11 LEU 94 2.750 -6.491 -19.938 806 HD12 LEU 94 HD12 LEU 94 3.660 -5.429 -21.007 807 HD13 LEU 94 HD13 LEU 94 3.230 -7.055 -21.545 808 HD21 LEU 94 HD21 LEU 94 2.118 -5.878 -23.632 809 HD22 LEU 94 HD22 LEU 94 2.544 -4.310 -22.938 810 HD23 LEU 94 HD23 LEU 94 0.867 -4.665 -23.338 811 H VAL 95 HN VAL 95 1.434 -7.008 -18.217 812 HA VAL 95 HA VAL 95 -0.266 -4.872 -16.978 813 HB VAL 95 HB VAL 95 1.799 -6.679 -15.597 814 HG11 VAL 95 HG11 VAL 95 -0.112 -4.649 -14.363 815 HG12 VAL 95 HG12 VAL 95 1.641 -4.485 -14.492 816 HG13 VAL 95 HG13 VAL 95 0.950 -5.739 -13.463 817 HG21 VAL 95 HG21 VAL 95 -1.240 -6.816 -15.441 818 HG22 VAL 95 HG22 VAL 95 -0.121 -7.791 -14.486 819 HG23 VAL 95 HG23 VAL 95 -0.183 -7.985 -16.238 820 H VAL 96 HN VAL 96 0.883 -2.724 -16.772 821 HA VAL 96 HA VAL 96 3.689 -2.725 -17.667 822 HB VAL 96 HB VAL 96 1.560 -0.772 -18.704 823 HG11 VAL 96 HG11 VAL 96 3.359 0.062 -20.205 824 HG12 VAL 96 HG12 VAL 96 4.503 -1.036 -19.431 825 HG13 VAL 96 HG13 VAL 96 3.770 0.272 -18.501 826 HG21 VAL 96 HG21 VAL 96 1.844 -1.790 -20.937 827 HG22 VAL 96 HG22 VAL 96 1.249 -2.978 -19.774 828 HG23 VAL 96 HG23 VAL 96 2.945 -2.994 -20.256 829 H VAL 97 HN VAL 97 4.673 -1.947 -15.871 830 HA VAL 97 HA VAL 97 3.279 -0.060 -14.048 831 HB VAL 97 HB VAL 97 5.803 -1.665 -13.451 832 HG11 VAL 97 HG11 VAL 97 5.477 0.266 -11.967 833 HG12 VAL 97 HG12 VAL 97 5.238 -1.233 -11.072 834 HG13 VAL 97 HG13 VAL 97 3.842 -0.274 -11.576 835 HG21 VAL 97 HG21 VAL 97 4.378 -3.312 -12.239 836 HG22 VAL 97 HG22 VAL 97 3.988 -3.265 -13.958 837 HG23 VAL 97 HG23 VAL 97 2.930 -2.464 -12.795 838 H HIS 98 HN HIS 98 4.000 2.132 -13.995 839 HA HIS 98 HA HIS 98 6.260 2.839 -15.720 840 HB2 HIS 98 HB2 HIS 98 4.048 3.805 -16.249 841 HB3 HIS 98 HB1 HIS 98 3.860 4.366 -14.595 842 HD2 HIS 98 HD2 HIS 98 5.601 5.405 -17.912 843 HE1 HIS 98 HE1 HIS 98 6.147 8.482 -15.091 844 HE2 HIS 98 HE2 HIS 98 6.573 7.744 -17.466 845 HA PRO 99 HA PRO 99 8.848 3.887 -12.149 846 HB2 PRO 99 HB2 PRO 99 10.129 6.180 -13.129 847 HB3 PRO 99 HB1 PRO 99 10.590 4.521 -13.498 848 HG2 PRO 99 HG2 PRO 99 8.872 6.396 -15.100 849 HG3 PRO 99 HG1 PRO 99 10.184 5.334 -15.657 850 HD2 PRO 99 HD2 PRO 99 7.654 4.601 -15.998 851 HD3 PRO 99 HD1 PRO 99 8.856 3.399 -15.487 852 H MET 100 HN MET 100 7.451 6.878 -13.579 853 HA MET 100 HA MET 100 7.836 8.306 -11.079 854 HB2 MET 100 HB2 MET 100 6.591 9.311 -13.672 855 HB3 MET 100 HB1 MET 100 7.130 10.304 -12.320 856 HG2 MET 100 HG2 MET 100 9.447 9.498 -12.730 857 HG3 MET 100 HG1 MET 100 8.871 8.635 -14.152 858 HE1 MET 100 HE1 MET 100 7.699 11.634 -16.453 859 HE2 MET 100 HE2 MET 100 6.685 10.753 -15.311 860 HE3 MET 100 HE3 MET 100 7.838 9.882 -16.324 861 H THR 101 HN THR 101 5.286 6.480 -12.370 862 HA THR 101 HA THR 101 3.074 7.761 -11.069 863 HB THR 101 HB THR 101 1.917 5.527 -11.276 864 HG1 THR 101 HG1 THR 101 4.511 4.707 -11.765 865 HG21 THR 101 HG21 THR 101 1.915 5.403 -13.765 866 HG22 THR 101 HG22 THR 101 3.305 6.490 -13.809 867 HG23 THR 101 HG23 THR 101 1.756 7.060 -13.178 868 H ALA 102 HN ALA 102 1.838 6.460 -9.342 869 HA ALA 102 HA ALA 102 3.219 6.490 -6.932 870 HB1 ALA 102 HB1 ALA 102 0.774 6.727 -7.096 871 HB2 ALA 102 HB2 ALA 102 1.209 5.443 -5.968 872 HB3 ALA 102 HB3 ALA 102 0.630 5.036 -7.586 873 H LEU 103 HN LEU 103 2.121 3.562 -8.775 874 HA LEU 103 HA LEU 103 3.021 1.695 -6.827 875 HB2 LEU 103 HB2 LEU 103 1.196 1.244 -8.544 876 HB3 LEU 103 HB1 LEU 103 2.445 1.102 -9.762 877 HG LEU 103 HG LEU 103 3.443 -0.830 -8.530 878 HD11 LEU 103 HD11 LEU 103 1.053 -0.607 -6.673 879 HD12 LEU 103 HD12 LEU 103 2.744 -0.323 -6.249 880 HD13 LEU 103 HD13 LEU 103 2.211 -1.937 -6.711 881 HD21 LEU 103 HD21 LEU 103 1.741 -2.508 -9.116 882 HD22 LEU 103 HD22 LEU 103 1.864 -1.265 -10.364 883 HD23 LEU 103 HD23 LEU 103 0.511 -1.241 -9.229 884 H GLY 104 HN GLY 104 4.481 2.751 -9.997 885 HA2 GLY 104 HA2 GLY 104 6.797 1.328 -10.029 886 HA3 GLY 104 HA1 GLY 104 6.690 3.013 -10.515 887 H ARG 105 HN ARG 105 7.039 4.650 -8.837 888 HA ARG 105 HA ARG 105 9.194 4.592 -7.219 889 HB2 ARG 105 HB2 ARG 105 6.609 6.070 -6.581 890 HB3 ARG 105 HB1 ARG 105 8.151 6.406 -5.792 891 HG2 ARG 105 HG2 ARG 105 9.123 7.111 -7.932 892 HG3 ARG 105 HG1 ARG 105 7.632 6.690 -8.768 893 HD2 ARG 105 HD2 ARG 105 7.781 8.797 -6.583 894 HD3 ARG 105 HD1 ARG 105 7.941 9.153 -8.307 895 HE ARG 105 HE ARG 105 5.665 8.010 -8.480 896 HH11 ARG 105 HH11 ARG 105 6.555 9.921 -5.673 897 HH12 ARG 105 HH12 ARG 105 4.921 10.401 -5.352 898 HH21 ARG 105 HH21 ARG 105 3.562 8.637 -8.042 899 HH22 ARG 105 HH22 ARG 105 3.230 9.682 -6.705 900 H GLU 106 HN GLU 106 6.080 3.511 -6.244 901 HA GLU 106 HA GLU 106 6.417 2.754 -3.553 902 HB2 GLU 106 HB2 GLU 106 4.203 2.510 -4.751 903 HB3 GLU 106 HB1 GLU 106 4.828 1.062 -5.534 904 HG2 GLU 106 HG2 GLU 106 3.363 0.486 -3.661 905 HG3 GLU 106 HG1 GLU 106 5.009 -0.089 -3.392 906 H MET 107 HN MET 107 6.625 0.334 -6.229 907 HA MET 107 HA MET 107 8.190 -1.564 -4.789 908 HB2 MET 107 HB2 MET 107 7.469 -1.286 -7.731 909 HB3 MET 107 HB1 MET 107 8.336 -2.671 -7.081 910 HG2 MET 107 HG2 MET 107 6.426 -3.333 -5.764 911 HG3 MET 107 HG1 MET 107 5.563 -1.852 -6.165 912 HE1 MET 107 HE1 MET 107 7.708 -3.998 -8.756 913 HE2 MET 107 HE2 MET 107 6.473 -5.117 -9.334 914 HE3 MET 107 HE3 MET 107 7.045 -5.222 -7.669 915 H GLY 108 HN GLY 108 9.107 1.353 -6.217 916 HA2 GLY 108 HA2 GLY 108 11.193 2.336 -6.169 917 HA3 GLY 108 HA1 GLY 108 11.913 0.787 -5.774 918 H LEU 109 HN LEU 109 9.871 1.347 -8.609 919 HA LEU 109 HA LEU 109 12.027 0.524 -10.396 920 HB2 LEU 109 HB2 LEU 109 9.137 1.196 -11.080 921 HB3 LEU 109 HB1 LEU 109 10.307 0.423 -12.140 922 HG LEU 109 HG LEU 109 9.023 -0.779 -9.655 923 HD11 LEU 109 HD11 LEU 109 7.563 -0.756 -11.621 924 HD12 LEU 109 HD12 LEU 109 8.041 -2.400 -11.213 925 HD13 LEU 109 HD13 LEU 109 8.801 -1.576 -12.579 926 HD21 LEU 109 HD21 LEU 109 10.265 -2.843 -10.091 927 HD22 LEU 109 HD22 LEU 109 11.377 -1.515 -9.780 928 HD23 LEU 109 HD23 LEU 109 11.120 -2.078 -11.437 929 H GLU 110 HN GLU 110 13.118 1.851 -11.742 930 HA GLU 110 HA GLU 110 12.313 4.699 -12.052 931 HB2 GLU 110 HB2 GLU 110 14.684 5.210 -12.428 932 HB3 GLU 110 HB1 GLU 110 14.490 4.368 -10.890 933 HG2 GLU 110 HG2 GLU 110 15.201 2.252 -11.984 934 HG3 GLU 110 HG1 GLU 110 15.445 3.128 -13.492 935 H GLU 111 HN GLU 111 11.970 1.925 -13.593 936 HA GLU 111 HA GLU 111 12.069 3.121 -16.302 937 HB2 GLU 111 HB2 GLU 111 14.070 1.704 -16.104 938 HB3 GLU 111 HB1 GLU 111 13.110 0.353 -15.522 939 HG2 GLU 111 HG2 GLU 111 13.825 0.080 -17.871 940 HG3 GLU 111 HG1 GLU 111 12.072 0.079 -17.693 941 H MET 112 HN MET 112 10.422 2.401 -17.730 942 HA MET 112 HA MET 112 8.001 1.360 -16.575 943 HB2 MET 112 HB2 MET 112 7.721 2.936 -18.396 944 HB3 MET 112 HB1 MET 112 8.815 2.028 -19.435 945 HG2 MET 112 HG2 MET 112 7.224 0.318 -19.812 946 HG3 MET 112 HG1 MET 112 6.218 0.841 -18.464 947 HE1 MET 112 HE1 MET 112 5.620 3.775 -18.675 948 HE2 MET 112 HE2 MET 112 4.362 2.540 -18.592 949 HE3 MET 112 HE3 MET 112 4.263 3.828 -19.800 950 H THR 113 HN THR 113 7.530 -0.830 -16.360 951 HA THR 113 HA THR 113 9.328 -2.759 -17.617 952 HB THR 113 HB THR 113 8.137 -2.808 -14.780 953 HG1 THR 113 HG1 THR 113 9.753 -1.184 -14.994 954 HG21 THR 113 HG21 THR 113 10.286 -4.576 -16.011 955 HG22 THR 113 HG22 THR 113 8.620 -5.059 -15.688 956 HG23 THR 113 HG23 THR 113 9.695 -4.658 -14.347 957 H GLY 114 HN GLY 114 7.940 -4.872 -18.100 958 HA2 GLY 114 HA2 GLY 114 5.159 -4.716 -17.239 959 HA3 GLY 114 HA1 GLY 114 5.512 -4.772 -18.961 960 H PHE 115 HN PHE 115 4.216 -6.575 -16.951 961 HA PHE 115 HA PHE 115 5.790 -9.081 -17.220 962 HB2 PHE 115 HB2 PHE 115 3.586 -8.439 -15.207 963 HB3 PHE 115 HB1 PHE 115 4.690 -9.808 -15.178 964 HD1 PHE 115 HD2 PHE 115 7.036 -9.508 -14.461 965 HD2 PHE 115 HD1 PHE 115 4.305 -6.216 -14.457 966 HE1 PHE 115 HE2 PHE 115 8.581 -8.222 -13.051 967 HE2 PHE 115 HE1 PHE 115 5.866 -4.934 -13.045 968 HZ PHE 115 HZ PHE 115 8.004 -5.937 -12.342 969 H SER 116 HN SER 116 4.158 -11.102 -17.109 970 HA SER 116 HA SER 116 1.591 -10.821 -18.104 971 HB2 SER 116 HB2 SER 116 2.716 -10.174 -20.245 972 HB3 SER 116 HB1 SER 116 3.513 -11.748 -20.282 973 HG SER 116 HG SER 116 1.693 -11.934 -21.515 974 H LYS 117 HN LYS 117 0.557 -12.827 -18.502 975 HA LYS 117 HA LYS 117 1.821 -15.163 -17.258 976 HB2 LYS 117 HB2 LYS 117 -1.059 -14.546 -18.007 977 HB3 LYS 117 HB1 LYS 117 -0.534 -16.095 -17.352 978 HG2 LYS 117 HG2 LYS 117 -0.221 -13.427 -15.923 979 HG3 LYS 117 HG1 LYS 117 -1.531 -14.572 -15.625 980 HD2 LYS 117 HD2 LYS 117 1.442 -15.052 -15.154 981 HD3 LYS 117 HD1 LYS 117 0.226 -14.772 -13.909 982 HE2 LYS 117 HE2 LYS 117 0.310 -17.163 -15.788 983 HE3 LYS 117 HE1 LYS 117 0.817 -17.169 -14.098 984 HZ1 LYS 117 HZ1 LYS 117 -1.931 -16.590 -15.058 985 HZ2 LYS 117 HZ2 LYS 117 -1.438 -16.673 -13.444 986 HZ3 LYS 117 HZ3 LYS 117 -1.413 -18.061 -14.407 987 H THR 118 HN THR 118 1.417 -13.847 -20.305 988 HA THR 118 HA THR 118 1.919 -16.416 -21.621 989 HB THR 118 HB THR 118 0.160 -14.578 -23.217 990 HG1 THR 118 HG1 THR 118 -0.735 -14.573 -21.004 991 HG21 THR 118 HG21 THR 118 0.834 -16.819 -24.036 992 HG22 THR 118 HG22 THR 118 -0.918 -16.699 -23.857 993 HG23 THR 118 HG23 THR 118 0.033 -17.563 -22.647 994 H THR 119 HN THR 119 2.695 -15.976 -23.929 995 HA THR 119 HA THR 119 5.010 -14.402 -23.826 996 HB THR 119 HB THR 119 4.798 -16.478 -25.174 997 HG1 THR 119 HG1 THR 119 6.432 -14.947 -25.686 998 HG21 THR 119 HG21 THR 119 3.142 -14.806 -27.098 999 HG22 THR 119 HG22 THR 119 2.539 -16.143 -26.116 1000 HG23 THR 119 HG23 THR 119 3.725 -16.448 -27.386 1001 H PHE 120 HN PHE 120 5.613 -12.591 -25.118 1002 HA PHE 120 HA PHE 120 3.532 -10.578 -25.186 1003 HB2 PHE 120 HB2 PHE 120 6.545 -10.404 -25.535 1004 HB3 PHE 120 HB1 PHE 120 5.480 -9.014 -25.715 1005 HD1 PHE 120 HD1 PHE 120 5.780 -11.837 -23.201 1006 HD2 PHE 120 HD2 PHE 120 5.543 -7.610 -23.843 1007 HE1 PHE 120 HE1 PHE 120 5.888 -11.440 -20.791 1008 HE2 PHE 120 HE2 PHE 120 5.649 -7.241 -21.416 1009 HZ PHE 120 HZ PHE 120 5.822 -9.156 -19.884 Start of MODEL 8 1 H MET 1 HT1 MET 1 -13.368 -8.863 -5.801 2 HA MET 1 HA MET 1 -15.239 -7.354 -5.997 3 HB2 MET 1 HB2 MET 1 -14.925 -8.737 -3.296 4 HB3 MET 1 HB1 MET 1 -16.455 -8.151 -3.930 5 HG2 MET 1 HG2 MET 1 -16.412 -9.751 -5.727 6 HG3 MET 1 HG1 MET 1 -14.765 -10.242 -5.324 7 HE1 MET 1 HE1 MET 1 -18.508 -10.149 -4.000 8 HE2 MET 1 HE2 MET 1 -17.587 -9.481 -2.650 9 HE3 MET 1 HE3 MET 1 -18.349 -11.064 -2.502 10 H LYS 2 HN LYS 2 -14.695 -6.960 -2.520 11 HA LYS 2 HA LYS 2 -13.897 -4.146 -2.783 12 HB2 LYS 2 HB2 LYS 2 -16.160 -5.145 -0.977 13 HB3 LYS 2 HB1 LYS 2 -15.423 -3.552 -0.841 14 HG2 LYS 2 HG2 LYS 2 -16.974 -4.583 -3.242 15 HG3 LYS 2 HG1 LYS 2 -17.607 -3.499 -1.998 16 HD2 LYS 2 HD2 LYS 2 -15.960 -1.772 -2.667 17 HD3 LYS 2 HD1 LYS 2 -15.302 -2.862 -3.893 18 HE2 LYS 2 HE2 LYS 2 -17.493 -2.858 -5.056 19 HE3 LYS 2 HE1 LYS 2 -18.140 -1.755 -3.839 20 HZ1 LYS 2 HZ1 LYS 2 -15.915 -1.188 -5.717 21 HZ2 LYS 2 HZ2 LYS 2 -16.464 -0.130 -4.523 22 HZ3 LYS 2 HZ3 LYS 2 -17.483 -0.560 -5.801 23 H GLU 3 HN GLU 3 -11.846 -4.615 -2.155 24 HA GLU 3 HA GLU 3 -11.132 -6.548 -0.179 25 HB2 GLU 3 HB2 GLU 3 -9.528 -4.397 -1.628 26 HB3 GLU 3 HB1 GLU 3 -8.797 -5.489 -0.458 27 HG2 GLU 3 HG2 GLU 3 -8.439 -6.203 -2.800 28 HG3 GLU 3 HG1 GLU 3 -9.267 -7.415 -1.828 29 H VAL 4 HN VAL 4 -10.703 -6.299 1.977 30 HA VAL 4 HA VAL 4 -12.183 -4.019 3.075 31 HB VAL 4 HB VAL 4 -11.335 -6.524 4.585 32 HG11 VAL 4 HG11 VAL 4 -12.191 -4.679 5.975 33 HG12 VAL 4 HG12 VAL 4 -13.308 -6.044 5.988 34 HG13 VAL 4 HG13 VAL 4 -13.672 -4.619 5.011 35 HG21 VAL 4 HG21 VAL 4 -13.847 -6.205 2.892 36 HG22 VAL 4 HG22 VAL 4 -13.494 -7.565 3.961 37 HG23 VAL 4 HG23 VAL 4 -12.486 -7.275 2.541 38 H GLU 5 HN GLU 5 -8.936 -5.287 3.095 39 HA GLU 5 HA GLU 5 -8.037 -4.723 5.627 40 HB2 GLU 5 HB2 GLU 5 -6.320 -4.683 3.118 41 HB3 GLU 5 HB1 GLU 5 -5.776 -4.972 4.763 42 HG2 GLU 5 HG2 GLU 5 -5.774 -7.095 3.778 43 HG3 GLU 5 HG1 GLU 5 -7.262 -7.076 4.720 44 H LYS 6 HN LYS 6 -8.240 -2.564 2.867 45 HA LYS 6 HA LYS 6 -6.720 -0.377 3.583 46 HB2 LYS 6 HB2 LYS 6 -9.599 -0.325 2.601 47 HB3 LYS 6 HB1 LYS 6 -8.507 1.058 2.560 48 HG2 LYS 6 HG2 LYS 6 -7.027 -0.124 0.990 49 HG3 LYS 6 HG1 LYS 6 -8.062 -1.555 1.073 50 HD2 LYS 6 HD2 LYS 6 -8.870 1.176 -0.013 51 HD3 LYS 6 HD1 LYS 6 -8.486 -0.251 -0.980 52 HE2 LYS 6 HE2 LYS 6 -10.420 -1.439 0.019 53 HE3 LYS 6 HE1 LYS 6 -10.811 -0.001 0.964 54 HZ1 LYS 6 HZ1 LYS 6 -10.799 -0.195 -1.993 55 HZ2 LYS 6 HZ2 LYS 6 -11.150 1.200 -1.105 56 HZ3 LYS 6 HZ3 LYS 6 -12.168 -0.144 -0.999 57 H ASN 7 HN ASN 7 -9.695 -1.445 5.190 58 HA ASN 7 HA ASN 7 -10.057 0.861 6.875 59 HB2 ASN 7 HB2 ASN 7 -11.243 -1.954 7.033 60 HB3 ASN 7 HB1 ASN 7 -11.777 -0.577 7.995 61 HD21 ASN 7 HD21 ASN 7 -13.894 -0.927 7.097 62 HD22 ASN 7 HD22 ASN 7 -14.278 -0.387 5.499 63 H GLU 8 HN GLU 8 -8.754 -2.426 7.233 64 HA GLU 8 HA GLU 8 -8.017 -2.353 9.958 65 HB2 GLU 8 HB2 GLU 8 -6.931 -4.000 7.639 66 HB3 GLU 8 HB1 GLU 8 -6.352 -4.220 9.284 67 HG2 GLU 8 HG2 GLU 8 -7.929 -5.918 8.969 68 HG3 GLU 8 HG1 GLU 8 -8.762 -4.715 9.940 69 H ILE 9 HN ILE 9 -5.948 -1.708 7.078 70 HA ILE 9 HA ILE 9 -3.683 -0.881 8.405 71 HB ILE 9 HB ILE 9 -4.713 0.042 5.685 72 HG12 ILE 9 HG12 ILE 9 -4.486 -2.422 5.794 73 HG13 ILE 9 HG11 ILE 9 -3.240 -1.754 4.753 74 HG21 ILE 9 HG21 ILE 9 -2.971 1.569 6.483 75 HG22 ILE 9 HG22 ILE 9 -2.346 0.586 5.158 76 HG23 ILE 9 HG23 ILE 9 -1.897 0.211 6.824 77 HD11 ILE 9 HD11 ILE 9 -2.334 -3.531 6.102 78 HD12 ILE 9 HD12 ILE 9 -2.882 -2.750 7.582 79 HD13 ILE 9 HD13 ILE 9 -1.608 -2.004 6.609 80 H LYS 10 HN LYS 10 -6.532 1.028 7.372 81 HA LYS 10 HA LYS 10 -5.786 3.570 8.298 82 HB2 LYS 10 HB2 LYS 10 -7.804 3.334 6.997 83 HB3 LYS 10 HB1 LYS 10 -8.493 2.194 8.140 84 HG2 LYS 10 HG2 LYS 10 -9.673 4.257 8.383 85 HG3 LYS 10 HG1 LYS 10 -8.672 4.043 9.818 86 HD2 LYS 10 HD2 LYS 10 -7.008 5.639 8.880 87 HD3 LYS 10 HD1 LYS 10 -8.044 5.859 7.462 88 HE2 LYS 10 HE2 LYS 10 -8.710 6.591 10.339 89 HE3 LYS 10 HE1 LYS 10 -8.398 7.707 9.007 90 HZ1 LYS 10 HZ1 LYS 10 -10.744 7.542 9.386 91 HZ2 LYS 10 HZ2 LYS 10 -10.714 5.862 9.268 92 HZ3 LYS 10 HZ3 LYS 10 -10.401 6.808 7.903 93 H ARG 11 HN ARG 11 -7.281 0.925 10.000 94 HA ARG 11 HA ARG 11 -7.660 1.985 12.551 95 HB2 ARG 11 HB2 ARG 11 -8.603 -0.163 11.878 96 HB3 ARG 11 HB1 ARG 11 -7.001 -0.884 11.820 97 HG2 ARG 11 HG2 ARG 11 -6.764 -0.680 14.231 98 HG3 ARG 11 HG1 ARG 11 -8.301 0.186 14.338 99 HD2 ARG 11 HD2 ARG 11 -7.987 -2.674 13.365 100 HD3 ARG 11 HD1 ARG 11 -8.494 -2.207 14.989 101 HE ARG 11 HE ARG 11 -10.092 -1.123 12.807 102 HH11 ARG 11 HH11 ARG 11 -9.816 -3.687 15.192 103 HH12 ARG 11 HH12 ARG 11 -11.484 -4.136 15.082 104 HH21 ARG 11 HH21 ARG 11 -12.270 -1.681 12.700 105 HH22 ARG 11 HH22 ARG 11 -12.886 -2.991 13.654 106 H LEU 12 HN LEU 12 -4.805 -0.052 11.637 107 HA LEU 12 HA LEU 12 -3.363 0.488 14.013 108 HB2 LEU 12 HB2 LEU 12 -1.367 -0.487 12.788 109 HB3 LEU 12 HB1 LEU 12 -2.802 -1.492 12.863 110 HG LEU 12 HG LEU 12 -3.206 -0.340 10.422 111 HD11 LEU 12 HD11 LEU 12 -1.150 -0.232 9.130 112 HD12 LEU 12 HD12 LEU 12 -0.189 -0.533 10.581 113 HD13 LEU 12 HD13 LEU 12 -1.132 0.955 10.432 114 HD21 LEU 12 HD21 LEU 12 -3.285 -2.742 10.858 115 HD22 LEU 12 HD22 LEU 12 -1.519 -2.822 10.869 116 HD23 LEU 12 HD23 LEU 12 -2.383 -2.392 9.388 117 H SER 13 HN SER 13 -3.028 1.998 10.776 118 HA SER 13 HA SER 13 -1.222 3.998 11.266 119 HB2 SER 13 HB2 SER 13 -3.840 4.259 9.726 120 HB3 SER 13 HB1 SER 13 -2.520 5.432 9.641 121 HG SER 13 HG SER 13 -2.792 3.038 8.402 122 H ASP 14 HN ASP 14 -4.759 4.405 11.861 123 HA ASP 14 HA ASP 14 -4.775 6.784 13.240 124 HB2 ASP 14 HB2 ASP 14 -6.779 5.540 12.383 125 HB3 ASP 14 HB1 ASP 14 -6.604 4.386 13.695 126 H ARG 15 HN ARG 15 -4.035 3.596 14.408 127 HA ARG 15 HA ARG 15 -4.183 4.044 17.227 128 HB2 ARG 15 HB2 ARG 15 -4.122 1.750 16.294 129 HB3 ARG 15 HB1 ARG 15 -2.481 2.012 15.711 130 HG2 ARG 15 HG2 ARG 15 -2.469 0.667 17.759 131 HG3 ARG 15 HG1 ARG 15 -1.657 2.214 18.014 132 HD2 ARG 15 HD2 ARG 15 -3.851 3.065 18.987 133 HD3 ARG 15 HD1 ARG 15 -4.421 1.396 18.948 134 HE ARG 15 HE ARG 15 -2.250 1.016 20.350 135 HH11 ARG 15 HH11 ARG 15 -4.402 3.778 20.625 136 HH12 ARG 15 HH12 ARG 15 -4.046 4.038 22.301 137 HH21 ARG 15 HH21 ARG 15 -1.774 1.393 22.556 138 HH22 ARG 15 HH22 ARG 15 -2.566 2.691 23.395 139 H LEU 16 HN LEU 16 -1.328 3.875 15.075 140 HA LEU 16 HA LEU 16 0.564 4.804 16.943 141 HB2 LEU 16 HB2 LEU 16 0.969 3.457 14.818 142 HB3 LEU 16 HB1 LEU 16 0.733 4.931 13.901 143 HG LEU 16 HG LEU 16 3.150 4.188 14.257 144 HD11 LEU 16 HD11 LEU 16 4.072 6.405 14.574 145 HD12 LEU 16 HD12 LEU 16 2.539 6.986 15.230 146 HD13 LEU 16 HD13 LEU 16 2.642 6.468 13.546 147 HD21 LEU 16 HD21 LEU 16 4.253 4.667 16.385 148 HD22 LEU 16 HD22 LEU 16 2.989 3.455 16.586 149 HD23 LEU 16 HD23 LEU 16 2.705 5.117 17.106 150 H ASP 17 HN ASP 17 -1.251 6.522 14.357 151 HA ASP 17 HA ASP 17 -0.206 9.046 14.474 152 HB2 ASP 17 HB2 ASP 17 -1.789 8.266 12.777 153 HB3 ASP 17 HB1 ASP 17 -3.066 8.133 13.978 154 H ALA 18 HN ALA 18 -3.330 8.275 16.082 155 HA ALA 18 HA ALA 18 -3.573 10.140 17.983 156 HB1 ALA 18 HB1 ALA 18 -5.124 8.257 17.740 157 HB2 ALA 18 HB2 ALA 18 -4.716 8.539 19.431 158 HB3 ALA 18 HB3 ALA 18 -3.976 7.195 18.556 159 H ILE 19 HN ILE 19 -1.262 7.435 18.252 160 HA ILE 19 HA ILE 19 -0.579 7.987 20.996 161 HB ILE 19 HB ILE 19 0.675 6.158 18.932 162 HG12 ILE 19 HG12 ILE 19 -0.738 5.711 21.602 163 HG13 ILE 19 HG11 ILE 19 -1.345 5.308 19.998 164 HG21 ILE 19 HG21 ILE 19 2.608 7.035 20.189 165 HG22 ILE 19 HG22 ILE 19 2.326 5.344 20.592 166 HG23 ILE 19 HG23 ILE 19 1.833 6.614 21.715 167 HD11 ILE 19 HD11 ILE 19 -0.642 3.318 21.160 168 HD12 ILE 19 HD12 ILE 19 0.964 3.990 21.428 169 HD13 ILE 19 HD13 ILE 19 0.431 3.609 19.792 170 H ARG 20 HN ARG 20 1.211 8.689 17.916 171 HA ARG 20 HA ARG 20 3.317 10.064 19.109 172 HB2 ARG 20 HB2 ARG 20 3.842 10.960 16.870 173 HB3 ARG 20 HB1 ARG 20 3.517 9.231 16.830 174 HG2 ARG 20 HG2 ARG 20 1.422 9.527 15.766 175 HG3 ARG 20 HG1 ARG 20 1.366 11.245 16.159 176 HD2 ARG 20 HD2 ARG 20 3.327 9.975 14.213 177 HD3 ARG 20 HD1 ARG 20 1.839 10.824 13.762 178 HE ARG 20 HE ARG 20 3.635 12.366 15.424 179 HH11 ARG 20 HH11 ARG 20 2.821 11.587 12.084 180 HH12 ARG 20 HH12 ARG 20 3.572 13.022 11.459 181 HH21 ARG 20 HH21 ARG 20 4.578 14.236 14.587 182 HH22 ARG 20 HH22 ARG 20 4.552 14.527 12.874 183 H HIS 21 HN HIS 21 0.154 11.479 17.873 184 HA HIS 21 HA HIS 21 0.730 14.134 18.411 185 HB2 HIS 21 HB2 HIS 21 -1.348 13.007 17.265 186 HB3 HIS 21 HB1 HIS 21 -2.019 12.912 18.881 187 HD1 HIS 21 HD1 HIS 21 -1.599 15.603 20.091 188 HD2 HIS 21 HD2 HIS 21 -2.456 15.157 16.047 189 HE1 HIS 21 HE1 HIS 21 -2.524 17.810 19.348 190 HE2 HIS 21 HE2 HIS 21 -2.831 17.574 16.867 191 H GLN 22 HN GLN 22 -0.610 11.652 20.422 192 HA GLN 22 HA GLN 22 -1.117 12.998 22.836 193 HB2 GLN 22 HB2 GLN 22 -1.947 10.789 22.599 194 HB3 GLN 22 HB1 GLN 22 -0.380 10.134 22.156 195 HG2 GLN 22 HG2 GLN 22 0.364 10.525 24.519 196 HG3 GLN 22 HG1 GLN 22 -1.295 10.986 24.918 197 HE21 GLN 22 HE21 GLN 22 -0.282 8.423 22.694 198 HE22 GLN 22 HE22 GLN 22 -0.914 7.112 23.611 199 H GLN 23 HN GLN 23 1.852 11.401 21.648 200 HA GLN 23 HA GLN 23 3.404 12.029 23.978 201 HB2 GLN 23 HB2 GLN 23 4.180 10.967 21.241 202 HB3 GLN 23 HB1 GLN 23 5.299 11.124 22.599 203 HG2 GLN 23 HG2 GLN 23 3.892 9.552 23.894 204 HG3 GLN 23 HG1 GLN 23 2.843 9.360 22.491 205 HE21 GLN 23 HE21 GLN 23 5.979 8.674 23.831 206 HE22 GLN 23 HE22 GLN 23 6.453 7.496 22.664 207 H ALA 24 HN ALA 24 2.834 13.613 20.824 208 HA ALA 24 HA ALA 24 4.889 15.466 20.942 209 HB1 ALA 24 HB1 ALA 24 3.512 16.857 19.458 210 HB2 ALA 24 HB2 ALA 24 2.092 15.881 19.841 211 HB3 ALA 24 HB3 ALA 24 3.443 15.158 18.969 212 H ASP 25 HN ASP 25 1.410 16.094 22.032 213 HA ASP 25 HA ASP 25 1.967 18.242 23.634 214 HB2 ASP 25 HB2 ASP 25 -0.147 16.069 23.889 215 HB3 ASP 25 HB1 ASP 25 -0.186 17.578 24.788 216 H LEU 26 HN LEU 26 2.842 14.940 24.273 217 HA LEU 26 HA LEU 26 3.561 15.699 27.036 218 HB2 LEU 26 HB2 LEU 26 3.840 12.997 25.674 219 HB3 LEU 26 HB1 LEU 26 4.268 13.347 27.342 220 HG LEU 26 HG LEU 26 1.507 13.131 26.107 221 HD11 LEU 26 HD11 LEU 26 2.724 11.847 28.572 222 HD12 LEU 26 HD12 LEU 26 2.533 11.085 26.994 223 HD13 LEU 26 HD13 LEU 26 1.109 11.540 27.924 224 HD21 LEU 26 HD21 LEU 26 1.401 15.205 27.372 225 HD22 LEU 26 HD22 LEU 26 2.107 14.424 28.791 226 HD23 LEU 26 HD23 LEU 26 0.506 13.944 28.214 227 H SER 27 HN SER 27 5.689 15.270 27.789 228 HA SER 27 HA SER 27 7.863 15.107 25.812 229 HB2 SER 27 HB2 SER 27 7.629 17.515 26.374 230 HB3 SER 27 HB1 SER 27 7.708 17.139 28.093 231 HG SER 27 HG SER 27 9.714 17.438 26.278 232 H LEU 28 HN LEU 28 9.805 14.236 26.764 233 HA LEU 28 HA LEU 28 9.632 12.296 28.735 234 HB2 LEU 28 HB2 LEU 28 12.027 12.130 28.696 235 HB3 LEU 28 HB1 LEU 28 11.503 12.486 27.063 236 HG LEU 28 HG LEU 28 12.710 14.552 28.963 237 HD11 LEU 28 HD11 LEU 28 14.380 12.859 28.374 238 HD12 LEU 28 HD12 LEU 28 14.751 14.409 27.626 239 HD13 LEU 28 HD13 LEU 28 14.049 13.109 26.657 240 HD21 LEU 28 HD21 LEU 28 12.172 14.770 25.979 241 HD22 LEU 28 HD22 LEU 28 12.927 15.997 27.001 242 HD23 LEU 28 HD23 LEU 28 11.239 15.561 27.255 243 H VAL 29 HN VAL 29 10.158 15.737 29.022 244 HA VAL 29 HA VAL 29 11.161 15.755 31.724 245 HB VAL 29 HB VAL 29 10.051 18.078 30.068 246 HG11 VAL 29 HG11 VAL 29 11.339 19.546 31.598 247 HG12 VAL 29 HG12 VAL 29 11.798 18.143 32.566 248 HG13 VAL 29 HG13 VAL 29 10.105 18.630 32.466 249 HG21 VAL 29 HG21 VAL 29 11.949 17.014 28.931 250 HG22 VAL 29 HG22 VAL 29 12.929 17.139 30.391 251 HG23 VAL 29 HG23 VAL 29 12.420 18.601 29.543 252 H GLU 30 HN GLU 30 8.035 16.683 30.221 253 HA GLU 30 HA GLU 30 6.839 17.342 32.775 254 HB2 GLU 30 HB2 GLU 30 4.840 17.948 31.505 255 HB3 GLU 30 HB1 GLU 30 6.271 18.617 30.729 256 HG2 GLU 30 HG2 GLU 30 6.204 16.661 29.126 257 HG3 GLU 30 HG1 GLU 30 4.652 16.220 29.829 258 H ALA 31 HN ALA 31 6.819 14.589 30.625 259 HA ALA 31 HA ALA 31 5.222 13.051 32.593 260 HB1 ALA 31 HB1 ALA 31 3.927 13.348 30.513 261 HB2 ALA 31 HB2 ALA 31 4.393 11.658 30.724 262 HB3 ALA 31 HB3 ALA 31 5.260 12.679 29.571 263 H ALA 32 HN ALA 32 6.833 12.070 33.696 264 HA ALA 32 HA ALA 32 9.222 11.002 32.521 265 HB1 ALA 32 HB1 ALA 32 8.046 10.423 35.259 266 HB2 ALA 32 HB2 ALA 32 9.173 11.724 34.879 267 HB3 ALA 32 HB3 ALA 32 9.691 10.042 34.736 268 H ASP 33 HN ASP 33 6.908 9.040 34.421 269 HA ASP 33 HA ASP 33 7.729 6.644 33.147 270 HB2 ASP 33 HB2 ASP 33 6.966 6.700 35.499 271 HB3 ASP 33 HB1 ASP 33 5.341 7.136 34.973 272 H LYS 34 HN LYS 34 4.524 8.348 33.068 273 HA LYS 34 HA LYS 34 3.160 6.827 31.306 274 HB2 LYS 34 HB2 LYS 34 2.558 9.065 32.589 275 HB3 LYS 34 HB1 LYS 34 2.970 9.844 31.071 276 HG2 LYS 34 HG2 LYS 34 0.818 7.720 31.429 277 HG3 LYS 34 HG1 LYS 34 0.526 9.459 31.374 278 HD2 LYS 34 HD2 LYS 34 1.449 9.492 29.052 279 HD3 LYS 34 HD1 LYS 34 1.634 7.736 29.131 280 HE2 LYS 34 HE2 LYS 34 -0.397 8.395 27.904 281 HE3 LYS 34 HE1 LYS 34 -0.791 7.475 29.356 282 HZ1 LYS 34 HZ1 LYS 34 -0.894 10.432 29.132 283 HZ2 LYS 34 HZ2 LYS 34 -1.360 9.508 30.471 284 HZ3 LYS 34 HZ3 LYS 34 -2.229 9.400 29.029 285 H TYR 35 HN TYR 35 5.380 9.487 30.352 286 HA TYR 35 HA TYR 35 5.054 9.168 27.534 287 HB2 TYR 35 HB2 TYR 35 6.059 11.227 28.584 288 HB3 TYR 35 HB1 TYR 35 7.496 10.293 28.968 289 HD1 TYR 35 HD2 TYR 35 5.423 11.539 26.119 290 HD2 TYR 35 HD1 TYR 35 9.236 10.022 27.314 291 HE1 TYR 35 HE2 TYR 35 6.345 12.086 23.910 292 HE2 TYR 35 HE1 TYR 35 10.144 10.565 25.108 293 HH TYR 35 HH TYR 35 9.283 10.882 22.797 294 H ALA 36 HN ALA 36 7.235 7.728 29.916 295 HA ALA 36 HA ALA 36 9.008 6.371 28.203 296 HB1 ALA 36 HB1 ALA 36 9.413 6.671 30.621 297 HB2 ALA 36 HB2 ALA 36 9.583 4.983 30.131 298 HB3 ALA 36 HB3 ALA 36 8.128 5.520 30.978 299 H GLU 37 HN GLU 37 5.987 5.146 29.749 300 HA GLU 37 HA GLU 37 5.828 2.649 28.573 301 HB2 GLU 37 HB2 GLU 37 3.428 4.431 29.198 302 HB3 GLU 37 HB1 GLU 37 3.449 2.669 29.125 303 HG2 GLU 37 HG2 GLU 37 4.696 4.463 31.214 304 HG3 GLU 37 HG1 GLU 37 3.376 3.324 31.418 305 H LEU 38 HN LEU 38 4.622 5.704 27.480 306 HA LEU 38 HA LEU 38 3.402 4.855 25.074 307 HB2 LEU 38 HB2 LEU 38 4.568 7.563 25.734 308 HB3 LEU 38 HB1 LEU 38 3.603 7.225 24.305 309 HG LEU 38 HG LEU 38 2.668 7.058 27.187 310 HD11 LEU 38 HD11 LEU 38 1.207 8.936 26.570 311 HD12 LEU 38 HD12 LEU 38 1.948 8.982 24.969 312 HD13 LEU 38 HD13 LEU 38 2.918 9.331 26.402 313 HD21 LEU 38 HD21 LEU 38 1.087 6.459 24.660 314 HD22 LEU 38 HD22 LEU 38 0.426 6.559 26.296 315 HD23 LEU 38 HD23 LEU 38 1.578 5.290 25.887 316 H GLU 39 HN GLU 39 6.746 5.986 25.578 317 HA GLU 39 HA GLU 39 7.808 5.593 23.040 318 HB2 GLU 39 HB2 GLU 39 9.070 5.154 25.769 319 HB3 GLU 39 HB1 GLU 39 9.990 5.083 24.274 320 HG2 GLU 39 HG2 GLU 39 8.468 7.501 25.299 321 HG3 GLU 39 HG1 GLU 39 10.204 7.245 25.458 322 H LYS 40 HN LYS 40 7.209 3.218 25.592 323 HA LYS 40 HA LYS 40 8.371 0.956 24.260 324 HB2 LYS 40 HB2 LYS 40 6.248 0.986 26.447 325 HB3 LYS 40 HB1 LYS 40 7.257 -0.393 26.001 326 HG2 LYS 40 HG2 LYS 40 9.253 0.749 26.799 327 HG3 LYS 40 HG1 LYS 40 8.336 2.225 27.084 328 HD2 LYS 40 HD2 LYS 40 6.961 0.945 28.789 329 HD3 LYS 40 HD1 LYS 40 8.096 -0.400 28.601 330 HE2 LYS 40 HE2 LYS 40 9.948 1.070 29.344 331 HE3 LYS 40 HE1 LYS 40 8.820 2.417 29.512 332 HZ1 LYS 40 HZ1 LYS 40 7.641 1.134 31.207 333 HZ2 LYS 40 HZ2 LYS 40 9.252 1.417 31.630 334 HZ3 LYS 40 HZ3 LYS 40 8.792 -0.109 31.070 335 H GLU 41 HN GLU 41 4.967 1.917 24.753 336 HA GLU 41 HA GLU 41 3.563 0.174 23.189 337 HB2 GLU 41 HB2 GLU 41 3.076 3.150 23.636 338 HB3 GLU 41 HB1 GLU 41 1.926 2.124 22.780 339 HG2 GLU 41 HG2 GLU 41 2.822 1.793 25.660 340 HG3 GLU 41 HG1 GLU 41 1.277 2.454 25.117 341 H LYS 42 HN LYS 42 5.065 3.186 22.176 342 HA LYS 42 HA LYS 42 4.556 3.114 19.422 343 HB2 LYS 42 HB2 LYS 42 5.471 5.102 20.611 344 HB3 LYS 42 HB1 LYS 42 6.987 4.245 20.867 345 HG2 LYS 42 HG2 LYS 42 7.143 4.086 18.291 346 HG3 LYS 42 HG1 LYS 42 5.838 5.283 18.265 347 HD2 LYS 42 HD2 LYS 42 8.572 5.633 19.579 348 HD3 LYS 42 HD1 LYS 42 8.075 6.340 18.039 349 HE2 LYS 42 HE2 LYS 42 6.390 7.692 19.158 350 HE3 LYS 42 HE1 LYS 42 6.738 6.910 20.702 351 HZ1 LYS 42 HZ1 LYS 42 7.750 9.111 20.431 352 HZ2 LYS 42 HZ2 LYS 42 8.711 8.506 19.182 353 HZ3 LYS 42 HZ3 LYS 42 8.876 7.893 20.749 354 H ALA 43 HN ALA 43 7.456 2.082 21.202 355 HA ALA 43 HA ALA 43 9.028 1.075 19.192 356 HB1 ALA 43 HB1 ALA 43 9.796 1.406 21.496 357 HB2 ALA 43 HB2 ALA 43 10.223 -0.205 20.916 358 HB3 ALA 43 HB3 ALA 43 8.861 0.007 22.023 359 H THR 44 HN THR 44 6.770 -0.862 21.138 360 HA THR 44 HA THR 44 7.069 -3.336 19.803 361 HB THR 44 HB THR 44 4.734 -2.346 21.487 362 HG1 THR 44 HG1 THR 44 7.141 -3.720 22.177 363 HG21 THR 44 HG21 THR 44 4.283 -4.737 21.954 364 HG22 THR 44 HG22 THR 44 5.573 -5.210 20.849 365 HG23 THR 44 HG23 THR 44 4.132 -4.403 20.227 366 H LEU 45 HN LEU 45 4.648 -0.731 19.486 367 HA LEU 45 HA LEU 45 3.193 -1.790 17.357 368 HB2 LEU 45 HB2 LEU 45 3.869 1.093 17.946 369 HB3 LEU 45 HB1 LEU 45 3.013 0.666 16.471 370 HG LEU 45 HG LEU 45 2.020 0.182 19.307 371 HD11 LEU 45 HD11 LEU 45 0.273 1.802 18.735 372 HD12 LEU 45 HD12 LEU 45 1.023 2.068 17.158 373 HD13 LEU 45 HD13 LEU 45 1.880 2.520 18.633 374 HD21 LEU 45 HD21 LEU 45 0.681 -0.529 16.671 375 HD22 LEU 45 HD22 LEU 45 -0.081 -0.613 18.260 376 HD23 LEU 45 HD23 LEU 45 1.277 -1.668 17.886 377 H GLU 46 HN GLU 46 6.181 0.196 17.059 378 HA GLU 46 HA GLU 46 6.509 -0.026 14.295 379 HB2 GLU 46 HB2 GLU 46 8.624 0.445 16.428 380 HB3 GLU 46 HB1 GLU 46 8.820 0.756 14.703 381 HG2 GLU 46 HG2 GLU 46 6.980 2.425 14.839 382 HG3 GLU 46 HG1 GLU 46 6.897 2.158 16.575 383 H ALA 47 HN ALA 47 7.230 -2.257 16.828 384 HA ALA 47 HA ALA 47 9.335 -3.750 15.477 385 HB1 ALA 47 HB1 ALA 47 7.777 -4.426 18.003 386 HB2 ALA 47 HB2 ALA 47 9.327 -3.586 17.943 387 HB3 ALA 47 HB3 ALA 47 9.214 -5.270 17.424 388 H GLU 48 HN GLU 48 6.061 -4.400 16.548 389 HA GLU 48 HA GLU 48 5.321 -6.706 15.255 390 HB2 GLU 48 HB2 GLU 48 3.944 -5.670 16.984 391 HB3 GLU 48 HB1 GLU 48 3.783 -4.194 16.055 392 HG2 GLU 48 HG2 GLU 48 1.682 -5.203 15.917 393 HG3 GLU 48 HG1 GLU 48 2.443 -5.551 14.368 394 H ILE 49 HN ILE 49 4.632 -3.391 14.221 395 HA ILE 49 HA ILE 49 3.354 -4.157 11.840 396 HB ILE 49 HB ILE 49 3.218 -1.861 11.100 397 HG12 ILE 49 HG12 ILE 49 5.272 -1.184 13.265 398 HG13 ILE 49 HG11 ILE 49 5.502 -1.041 11.526 399 HG21 ILE 49 HG21 ILE 49 2.071 -0.843 13.035 400 HG22 ILE 49 HG22 ILE 49 2.812 -2.031 14.104 401 HG23 ILE 49 HG23 ILE 49 1.673 -2.557 12.867 402 HD11 ILE 49 HD11 ILE 49 5.162 1.120 12.535 403 HD12 ILE 49 HD12 ILE 49 3.626 0.593 13.222 404 HD13 ILE 49 HD13 ILE 49 3.810 0.735 11.471 405 H ALA 50 HN ALA 50 6.770 -2.782 12.146 406 HA ALA 50 HA ALA 50 7.462 -3.202 9.483 407 HB1 ALA 50 HB1 ALA 50 8.663 -1.743 11.035 408 HB2 ALA 50 HB2 ALA 50 9.763 -2.877 10.248 409 HB3 ALA 50 HB3 ALA 50 9.256 -3.156 11.917 410 H ARG 51 HN ARG 51 7.904 -5.437 12.225 411 HA ARG 51 HA ARG 51 9.350 -7.481 10.930 412 HB2 ARG 51 HB2 ARG 51 8.786 -7.282 13.448 413 HB3 ARG 51 HB1 ARG 51 7.255 -8.050 13.066 414 HG2 ARG 51 HG2 ARG 51 8.717 -9.754 13.883 415 HG3 ARG 51 HG1 ARG 51 8.559 -10.010 12.143 416 HD2 ARG 51 HD2 ARG 51 10.733 -8.909 11.774 417 HD3 ARG 51 HD1 ARG 51 10.877 -8.604 13.511 418 HE ARG 51 HE ARG 51 10.601 -11.265 13.474 419 HH11 ARG 51 HH11 ARG 51 12.696 -9.252 11.493 420 HH12 ARG 51 HH12 ARG 51 13.944 -10.450 11.417 421 HH21 ARG 51 HH21 ARG 51 12.256 -12.800 13.358 422 HH22 ARG 51 HH22 ARG 51 13.692 -12.449 12.456 423 H LEU 52 HN LEU 52 5.922 -7.192 11.454 424 HA LEU 52 HA LEU 52 4.919 -9.211 9.813 425 HB2 LEU 52 HB2 LEU 52 3.789 -6.648 10.904 426 HB3 LEU 52 HB1 LEU 52 2.887 -7.419 9.623 427 HG LEU 52 HG LEU 52 2.172 -7.944 12.046 428 HD11 LEU 52 HD11 LEU 52 2.753 -10.267 10.197 429 HD12 LEU 52 HD12 LEU 52 1.343 -9.206 10.143 430 HD13 LEU 52 HD13 LEU 52 1.594 -10.258 11.531 431 HD21 LEU 52 HD21 LEU 52 3.360 -9.708 13.245 432 HD22 LEU 52 HD22 LEU 52 4.434 -8.335 12.988 433 HD23 LEU 52 HD23 LEU 52 4.600 -9.779 11.988 434 H ARG 53 HN ARG 53 5.766 -5.799 8.970 435 HA ARG 53 HA ARG 53 5.125 -6.201 6.204 436 HB2 ARG 53 HB2 ARG 53 6.142 -3.863 7.823 437 HB3 ARG 53 HB1 ARG 53 6.083 -3.795 6.066 438 HG2 ARG 53 HG2 ARG 53 3.670 -4.030 6.069 439 HG3 ARG 53 HG1 ARG 53 3.638 -4.315 7.812 440 HD2 ARG 53 HD2 ARG 53 2.987 -1.980 7.149 441 HD3 ARG 53 HD1 ARG 53 4.365 -2.046 8.259 442 HE ARG 53 HE ARG 53 5.161 -1.989 5.495 443 HH11 ARG 53 HH11 ARG 53 4.158 0.127 8.122 444 HH12 ARG 53 HH12 ARG 53 5.034 1.488 7.497 445 HH21 ARG 53 HH21 ARG 53 6.296 -0.210 4.714 446 HH22 ARG 53 HH22 ARG 53 6.238 1.300 5.571 447 H GLU 54 HN GLU 54 7.859 -7.185 7.953 448 HA GLU 54 HA GLU 54 9.454 -7.034 5.462 449 HB2 GLU 54 HB2 GLU 54 11.347 -7.830 6.625 450 HB3 GLU 54 HB1 GLU 54 10.594 -6.685 7.726 451 HG2 GLU 54 HG2 GLU 54 9.690 -8.518 9.052 452 HG3 GLU 54 HG1 GLU 54 10.331 -9.697 7.910 453 H VAL 55 HN VAL 55 7.494 -9.157 7.372 454 HA VAL 55 HA VAL 55 7.809 -11.492 5.648 455 HB VAL 55 HB VAL 55 5.398 -10.788 7.414 456 HG11 VAL 55 HG11 VAL 55 4.899 -13.225 7.333 457 HG12 VAL 55 HG12 VAL 55 6.252 -13.460 6.224 458 HG13 VAL 55 HG13 VAL 55 4.861 -12.495 5.726 459 HG21 VAL 55 HG21 VAL 55 7.437 -10.900 8.785 460 HG22 VAL 55 HG22 VAL 55 7.827 -12.485 8.119 461 HG23 VAL 55 HG23 VAL 55 6.393 -12.280 9.127 462 H HIS 56 HN HIS 56 6.306 -8.398 5.567 463 HA HIS 56 HA HIS 56 4.922 -9.015 3.032 464 HB2 HIS 56 HB2 HIS 56 4.082 -6.945 5.106 465 HB3 HIS 56 HB1 HIS 56 3.419 -7.045 3.485 466 HD1 HIS 56 HD1 HIS 56 1.063 -7.785 3.882 467 HD2 HIS 56 HD2 HIS 56 3.765 -10.022 6.105 468 HE1 HIS 56 HE1 HIS 56 -0.299 -9.566 5.018 469 HE2 HIS 56 HE2 HIS 56 1.346 -10.835 6.437 470 H SER 57 HN SER 57 7.744 -8.360 3.486 471 HA SER 57 HA SER 57 7.827 -6.383 1.304 472 HB2 SER 57 HB2 SER 57 9.627 -6.258 3.742 473 HB3 SER 57 HB1 SER 57 10.144 -5.605 2.185 474 HG SER 57 HG SER 57 7.671 -4.888 3.352 475 H GLN 58 HN GLN 58 9.800 -8.819 3.104 476 HA GLN 58 HA GLN 58 11.172 -9.910 0.924 477 HB2 GLN 58 HB2 GLN 58 9.975 -11.353 3.334 478 HB3 GLN 58 HB1 GLN 58 11.116 -12.092 2.208 479 HG2 GLN 58 HG2 GLN 58 12.860 -10.545 2.870 480 HG3 GLN 58 HG1 GLN 58 11.731 -9.619 3.857 481 HE21 GLN 58 HE21 GLN 58 11.083 -10.457 5.876 482 HE22 GLN 58 HE22 GLN 58 11.921 -11.754 6.645 483 H LYS 59 HN LYS 59 7.870 -10.518 2.116 484 HA LYS 59 HA LYS 59 7.083 -11.276 -0.630 485 HB2 LYS 59 HB2 LYS 59 5.582 -11.956 1.940 486 HB3 LYS 59 HB1 LYS 59 5.053 -12.338 0.316 487 HG2 LYS 59 HG2 LYS 59 5.872 -14.369 1.130 488 HG3 LYS 59 HG1 LYS 59 7.189 -13.759 0.124 489 HD2 LYS 59 HD2 LYS 59 8.394 -12.997 2.134 490 HD3 LYS 59 HD1 LYS 59 7.047 -13.503 3.159 491 HE2 LYS 59 HE2 LYS 59 8.851 -15.157 3.248 492 HE3 LYS 59 HE1 LYS 59 7.436 -15.859 2.461 493 HZ1 LYS 59 HZ1 LYS 59 9.797 -14.743 1.050 494 HZ2 LYS 59 HZ2 LYS 59 8.472 -15.501 0.331 495 HZ3 LYS 59 HZ3 LYS 59 9.513 -16.386 1.324 496 H LEU 60 HN LEU 60 7.233 -8.947 -0.985 497 HA LEU 60 HA LEU 60 6.397 -6.787 0.335 498 HB2 LEU 60 HB2 LEU 60 7.456 -6.990 -2.025 499 HB3 LEU 60 HB1 LEU 60 5.816 -6.963 -2.634 500 HG LEU 60 HG LEU 60 7.186 -4.688 -1.113 501 HD11 LEU 60 HD11 LEU 60 7.198 -3.485 -3.262 502 HD12 LEU 60 HD12 LEU 60 6.509 -4.898 -4.068 503 HD13 LEU 60 HD13 LEU 60 8.122 -4.983 -3.355 504 HD21 LEU 60 HD21 LEU 60 5.266 -3.264 -1.744 505 HD22 LEU 60 HD22 LEU 60 4.766 -4.588 -0.697 506 HD23 LEU 60 HD23 LEU 60 4.442 -4.669 -2.430 507 H SER 61 HN SER 61 4.223 -7.734 -2.253 508 HA SER 61 HA SER 61 1.870 -7.790 -0.537 509 HB2 SER 61 HB2 SER 61 2.028 -5.406 -1.295 510 HB3 SER 61 HB1 SER 61 2.086 -5.941 -2.973 511 HG SER 61 HG SER 61 -0.050 -5.532 -1.394 512 H LYS 62 HN LYS 62 -0.046 -8.522 -2.128 513 HA LYS 62 HA LYS 62 0.722 -11.110 -2.862 514 HB2 LYS 62 HB2 LYS 62 -1.787 -9.615 -3.718 515 HB3 LYS 62 HB1 LYS 62 -1.587 -11.367 -3.697 516 HG2 LYS 62 HG2 LYS 62 -1.466 -11.398 -1.280 517 HG3 LYS 62 HG1 LYS 62 -1.396 -9.633 -1.214 518 HD2 LYS 62 HD2 LYS 62 -3.696 -9.544 -2.188 519 HD3 LYS 62 HD1 LYS 62 -3.761 -11.310 -2.135 520 HE2 LYS 62 HE2 LYS 62 -3.533 -11.254 0.310 521 HE3 LYS 62 HE1 LYS 62 -3.400 -9.494 0.272 522 HZ1 LYS 62 HZ1 LYS 62 -5.767 -11.108 -0.498 523 HZ2 LYS 62 HZ2 LYS 62 -5.655 -9.433 -0.676 524 HZ3 LYS 62 HZ3 LYS 62 -5.611 -10.122 0.863 525 H GLU 63 HN GLU 63 -0.865 -9.074 -5.195 526 HA GLU 63 HA GLU 63 -0.069 -10.154 -7.580 527 HB2 GLU 63 HB2 GLU 63 -1.852 -8.345 -7.143 528 HB3 GLU 63 HB1 GLU 63 -0.559 -7.164 -7.278 529 HG2 GLU 63 HG2 GLU 63 -1.725 -7.295 -9.385 530 HG3 GLU 63 HG1 GLU 63 -0.106 -7.974 -9.593 531 H ALA 64 HN ALA 64 1.721 -7.604 -5.797 532 HA ALA 64 HA ALA 64 3.789 -7.055 -7.699 533 HB1 ALA 64 HB1 ALA 64 3.943 -6.884 -4.656 534 HB2 ALA 64 HB2 ALA 64 3.346 -5.615 -5.728 535 HB3 ALA 64 HB3 ALA 64 5.040 -6.107 -5.808 536 H GLN 65 HN GLN 65 3.753 -9.163 -4.837 537 HA GLN 65 HA GLN 65 6.294 -10.405 -5.146 538 HB2 GLN 65 HB2 GLN 65 4.309 -10.577 -3.214 539 HB3 GLN 65 HB1 GLN 65 4.196 -12.161 -3.943 540 HG2 GLN 65 HG2 GLN 65 6.593 -10.915 -2.588 541 HG3 GLN 65 HG1 GLN 65 5.636 -12.276 -2.027 542 HE21 GLN 65 HE21 GLN 65 8.195 -11.235 -4.121 543 HE22 GLN 65 HE22 GLN 65 8.718 -12.805 -4.618 544 H LYS 66 HN LYS 66 3.248 -10.979 -6.763 545 HA LYS 66 HA LYS 66 3.899 -13.506 -7.965 546 HB2 LYS 66 HB2 LYS 66 1.588 -13.066 -7.561 547 HB3 LYS 66 HB1 LYS 66 1.664 -11.491 -8.345 548 HG2 LYS 66 HG2 LYS 66 1.826 -12.497 -10.535 549 HG3 LYS 66 HG1 LYS 66 2.023 -14.110 -9.843 550 HD2 LYS 66 HD2 LYS 66 -0.253 -14.094 -9.000 551 HD3 LYS 66 HD1 LYS 66 -0.464 -12.400 -9.448 552 HE2 LYS 66 HE2 LYS 66 -0.323 -12.994 -11.824 553 HE3 LYS 66 HE1 LYS 66 -0.042 -14.686 -11.403 554 HZ1 LYS 66 HZ1 LYS 66 -2.482 -13.156 -10.706 555 HZ2 LYS 66 HZ2 LYS 66 -2.206 -14.799 -10.439 556 HZ3 LYS 66 HZ3 LYS 66 -2.344 -14.218 -12.016 557 H LEU 67 HN LEU 67 3.636 -10.190 -9.137 558 HA LEU 67 HA LEU 67 4.812 -10.280 -11.626 559 HB2 LEU 67 HB2 LEU 67 5.545 -8.176 -9.551 560 HB3 LEU 67 HB1 LEU 67 5.837 -8.035 -11.278 561 HG LEU 67 HG LEU 67 3.128 -8.074 -9.900 562 HD11 LEU 67 HD11 LEU 67 4.273 -5.943 -9.638 563 HD12 LEU 67 HD12 LEU 67 2.899 -5.771 -10.726 564 HD13 LEU 67 HD13 LEU 67 4.539 -5.837 -11.381 565 HD21 LEU 67 HD21 LEU 67 3.704 -7.899 -12.872 566 HD22 LEU 67 HD22 LEU 67 2.124 -7.696 -12.113 567 HD23 LEU 67 HD23 LEU 67 2.944 -9.253 -12.035 568 H MET 68 HN MET 68 6.404 -10.525 -8.553 569 HA MET 68 HA MET 68 9.117 -10.657 -9.528 570 HB2 MET 68 HB2 MET 68 8.009 -11.369 -6.775 571 HB3 MET 68 HB1 MET 68 9.720 -11.207 -7.170 572 HG2 MET 68 HG2 MET 68 9.316 -8.831 -7.765 573 HG3 MET 68 HG1 MET 68 7.637 -9.014 -7.268 574 HE1 MET 68 HE1 MET 68 9.232 -6.769 -4.452 575 HE2 MET 68 HE2 MET 68 7.902 -6.907 -5.597 576 HE3 MET 68 HE3 MET 68 9.556 -6.742 -6.187 577 H LYS 69 HN LYS 69 6.678 -13.049 -8.690 578 HA LYS 69 HA LYS 69 8.487 -15.233 -9.648 579 HB2 LYS 69 HB2 LYS 69 7.033 -16.841 -8.503 580 HB3 LYS 69 HB1 LYS 69 7.533 -15.584 -7.379 581 HG2 LYS 69 HG2 LYS 69 5.352 -14.483 -7.634 582 HG3 LYS 69 HG1 LYS 69 4.842 -15.734 -8.766 583 HD2 LYS 69 HD2 LYS 69 5.021 -17.427 -6.961 584 HD3 LYS 69 HD1 LYS 69 5.536 -16.167 -5.831 585 HE2 LYS 69 HE2 LYS 69 3.355 -15.010 -6.179 586 HE3 LYS 69 HE1 LYS 69 2.853 -16.312 -7.258 587 HZ1 LYS 69 HZ1 LYS 69 2.988 -17.851 -5.421 588 HZ2 LYS 69 HZ2 LYS 69 1.962 -16.567 -5.024 589 HZ3 LYS 69 HZ3 LYS 69 3.524 -16.628 -4.388 590 H MET 70 HN MET 70 6.934 -13.324 -11.405 591 HA MET 70 HA MET 70 4.803 -14.728 -12.658 592 HB2 MET 70 HB2 MET 70 6.439 -12.319 -13.371 593 HB3 MET 70 HB1 MET 70 5.649 -13.133 -14.715 594 HG2 MET 70 HG2 MET 70 4.232 -12.073 -12.266 595 HG3 MET 70 HG1 MET 70 4.322 -11.274 -13.833 596 HE1 MET 70 HE1 MET 70 1.524 -11.576 -12.673 597 HE2 MET 70 HE2 MET 70 0.622 -12.339 -13.986 598 HE3 MET 70 HE3 MET 70 1.788 -11.062 -14.344 599 HA PRO 71 HA PRO 71 7.148 -17.498 -15.313 600 HB2 PRO 71 HB2 PRO 71 5.265 -18.053 -17.229 601 HB3 PRO 71 HB1 PRO 71 5.264 -18.793 -15.621 602 HG2 PRO 71 HG2 PRO 71 3.621 -16.511 -16.664 603 HG3 PRO 71 HG1 PRO 71 3.145 -17.836 -15.579 604 HD2 PRO 71 HD2 PRO 71 3.761 -15.292 -14.712 605 HD3 PRO 71 HD1 PRO 71 3.945 -16.740 -13.703 606 H PHE 72 HN PHE 72 5.096 -15.310 -17.468 607 HA PHE 72 HA PHE 72 7.465 -15.208 -19.261 608 HB2 PHE 72 HB2 PHE 72 4.505 -14.879 -19.940 609 HB3 PHE 72 HB1 PHE 72 5.841 -14.798 -21.084 610 HD1 PHE 72 HD2 PHE 72 7.127 -16.878 -21.672 611 HD2 PHE 72 HD1 PHE 72 3.636 -17.021 -19.207 612 HE1 PHE 72 HE2 PHE 72 6.937 -19.303 -22.073 613 HE2 PHE 72 HE1 PHE 72 3.460 -19.444 -19.606 614 HZ PHE 72 HZ PHE 72 5.109 -20.587 -21.039 615 H GLN 73 HN GLN 73 8.423 -13.218 -19.042 616 HA GLN 73 HA GLN 73 6.834 -10.772 -18.746 617 HB2 GLN 73 HB2 GLN 73 7.978 -9.929 -16.777 618 HB3 GLN 73 HB1 GLN 73 7.276 -11.493 -16.374 619 HG2 GLN 73 HG2 GLN 73 10.192 -11.244 -17.186 620 HG3 GLN 73 HG1 GLN 73 9.674 -10.939 -15.533 621 HE21 GLN 73 HE21 GLN 73 7.755 -12.921 -15.239 622 HE22 GLN 73 HE22 GLN 73 8.527 -14.458 -15.286 623 H ARG 74 HN ARG 74 8.242 -8.780 -18.895 624 HA ARG 74 HA ARG 74 11.046 -8.929 -19.353 625 HB2 ARG 74 HB2 ARG 74 11.154 -8.247 -21.689 626 HB3 ARG 74 HB1 ARG 74 10.208 -9.729 -21.610 627 HG2 ARG 74 HG2 ARG 74 8.129 -8.471 -21.842 628 HG3 ARG 74 HG1 ARG 74 9.015 -6.945 -21.788 629 HD2 ARG 74 HD2 ARG 74 10.244 -7.742 -23.879 630 HD3 ARG 74 HD1 ARG 74 9.050 -9.037 -23.961 631 HE ARG 74 HE ARG 74 8.066 -6.292 -23.805 632 HH11 ARG 74 HH11 ARG 74 8.543 -9.129 -25.815 633 HH12 ARG 74 HH12 ARG 74 7.682 -8.458 -27.161 634 HH21 ARG 74 HH21 ARG 74 6.953 -5.446 -25.576 635 HH22 ARG 74 HH22 ARG 74 6.793 -6.378 -27.026 636 H ALA 75 HN ALA 75 11.716 -6.601 -20.272 637 HA ALA 75 HA ALA 75 10.141 -4.541 -18.922 638 HB1 ALA 75 HB1 ALA 75 11.974 -3.030 -19.337 639 HB2 ALA 75 HB2 ALA 75 12.739 -4.189 -20.436 640 HB3 ALA 75 HB3 ALA 75 12.609 -4.559 -18.715 641 H ILE 76 HN ILE 76 10.448 -2.370 -20.274 642 HA ILE 76 HA ILE 76 8.967 -2.672 -22.809 643 HB ILE 76 HB ILE 76 7.685 -0.949 -20.649 644 HG12 ILE 76 HG12 ILE 76 7.363 -3.375 -20.109 645 HG13 ILE 76 HG11 ILE 76 5.852 -2.580 -20.509 646 HG21 ILE 76 HG21 ILE 76 5.811 -0.751 -22.259 647 HG22 ILE 76 HG22 ILE 76 6.725 -1.690 -23.441 648 HG23 ILE 76 HG23 ILE 76 7.315 -0.108 -22.922 649 HD11 ILE 76 HD11 ILE 76 7.421 -4.393 -22.356 650 HD12 ILE 76 HD12 ILE 76 5.871 -3.628 -22.721 651 HD13 ILE 76 HD13 ILE 76 5.981 -4.833 -21.438 652 H THR 77 HN THR 77 10.267 -1.624 -24.075 653 HA THR 77 HA THR 77 11.739 0.776 -23.414 654 HB THR 77 HB THR 77 12.484 0.600 -25.835 655 HG1 THR 77 HG1 THR 77 11.489 -1.909 -26.215 656 HG21 THR 77 HG21 THR 77 12.730 -1.977 -24.242 657 HG22 THR 77 HG22 THR 77 13.775 -0.564 -24.074 658 HG23 THR 77 HG23 THR 77 13.772 -1.491 -25.577 659 H LYS 78 HN LYS 78 11.570 2.181 -25.894 660 HA LYS 78 HA LYS 78 9.044 3.655 -25.454 661 HB2 LYS 78 HB2 LYS 78 11.613 4.432 -26.916 662 HB3 LYS 78 HB1 LYS 78 10.187 5.453 -26.797 663 HG2 LYS 78 HG2 LYS 78 10.510 5.697 -24.402 664 HG3 LYS 78 HG1 LYS 78 11.846 4.545 -24.434 665 HD2 LYS 78 HD2 LYS 78 12.763 6.797 -24.320 666 HD3 LYS 78 HD1 LYS 78 13.134 6.116 -25.902 667 HE2 LYS 78 HE2 LYS 78 10.793 7.990 -25.407 668 HE3 LYS 78 HE1 LYS 78 12.388 8.557 -25.881 669 HZ1 LYS 78 HZ1 LYS 78 10.533 6.860 -27.464 670 HZ2 LYS 78 HZ2 LYS 78 12.139 7.132 -27.909 671 HZ3 LYS 78 HZ3 LYS 78 11.061 8.429 -27.816 672 H LYS 79 HN LYS 79 11.232 2.436 -27.786 673 HA LYS 79 HA LYS 79 9.880 2.027 -30.119 674 HB2 LYS 79 HB2 LYS 79 11.623 -0.007 -28.687 675 HB3 LYS 79 HB1 LYS 79 11.018 -0.270 -30.317 676 HG2 LYS 79 HG2 LYS 79 12.802 2.034 -29.462 677 HG3 LYS 79 HG1 LYS 79 13.337 0.583 -30.321 678 HD2 LYS 79 HD2 LYS 79 11.277 2.560 -31.390 679 HD3 LYS 79 HD1 LYS 79 12.996 2.610 -31.792 680 HE2 LYS 79 HE2 LYS 79 12.824 0.389 -32.851 681 HE3 LYS 79 HE1 LYS 79 11.117 0.298 -32.402 682 HZ1 LYS 79 HZ1 LYS 79 10.730 2.271 -33.769 683 HZ2 LYS 79 HZ2 LYS 79 11.340 0.981 -34.671 684 HZ3 LYS 79 HZ3 LYS 79 12.353 2.267 -34.243 685 H GLU 80 HN GLU 80 9.340 0.002 -27.166 686 HA GLU 80 HA GLU 80 7.081 -1.342 -28.436 687 HB2 GLU 80 HB2 GLU 80 8.430 -1.671 -25.740 688 HB3 GLU 80 HB1 GLU 80 6.883 -2.443 -26.097 689 HG2 GLU 80 HG2 GLU 80 9.517 -2.889 -27.540 690 HG3 GLU 80 HG1 GLU 80 8.673 -4.024 -26.483 691 H GLN 81 HN GLN 81 7.575 1.436 -26.280 692 HA GLN 81 HA GLN 81 4.770 1.649 -25.727 693 HB2 GLN 81 HB2 GLN 81 7.145 3.487 -25.312 694 HB3 GLN 81 HB1 GLN 81 5.503 4.002 -24.932 695 HG2 GLN 81 HG2 GLN 81 5.275 2.232 -23.292 696 HG3 GLN 81 HG1 GLN 81 6.852 1.576 -23.721 697 HE21 GLN 81 HE21 GLN 81 8.700 2.541 -22.872 698 HE22 GLN 81 HE22 GLN 81 8.662 3.811 -21.704 699 H ALA 82 HN ALA 82 6.437 2.268 -28.688 700 HA ALA 82 HA ALA 82 5.529 4.840 -29.361 701 HB1 ALA 82 HB1 ALA 82 7.405 3.701 -30.496 702 HB2 ALA 82 HB2 ALA 82 6.162 4.180 -31.655 703 HB3 ALA 82 HB3 ALA 82 6.291 2.495 -31.142 704 H ASP 83 HN ASP 83 4.148 1.607 -29.671 705 HA ASP 83 HA ASP 83 1.529 2.899 -29.725 706 HB2 ASP 83 HB2 ASP 83 1.982 2.176 -32.115 707 HB3 ASP 83 HB1 ASP 83 2.042 0.502 -31.551 708 H MET 84 HN MET 84 0.874 2.398 -27.850 709 HA MET 84 HA MET 84 1.639 0.137 -26.314 710 HB2 MET 84 HB2 MET 84 0.577 2.659 -25.748 711 HB3 MET 84 HB1 MET 84 -0.801 1.619 -25.414 712 HG2 MET 84 HG2 MET 84 0.487 1.986 -23.404 713 HG3 MET 84 HG1 MET 84 0.613 0.287 -23.888 714 HE1 MET 84 HE1 MET 84 2.714 1.039 -21.873 715 HE2 MET 84 HE2 MET 84 4.202 0.527 -22.668 716 HE3 MET 84 HE3 MET 84 2.746 -0.454 -22.813 717 H GLY 85 HN GLY 85 -1.011 0.909 -28.417 718 HA2 GLY 85 HA2 GLY 85 -2.841 -1.125 -27.841 719 HA3 GLY 85 HA1 GLY 85 -2.612 -0.385 -29.423 720 H LYS 86 HN LYS 86 -0.375 -1.081 -30.383 721 HA LYS 86 HA LYS 86 -0.498 -3.661 -31.355 722 HB2 LYS 86 HB2 LYS 86 0.742 -1.758 -32.381 723 HB3 LYS 86 HB1 LYS 86 1.941 -1.843 -31.114 724 HG2 LYS 86 HG2 LYS 86 1.480 -4.212 -32.926 725 HG3 LYS 86 HG1 LYS 86 2.444 -2.846 -33.486 726 HD2 LYS 86 HD2 LYS 86 3.011 -4.539 -31.028 727 HD3 LYS 86 HD1 LYS 86 3.841 -4.676 -32.580 728 HE2 LYS 86 HE2 LYS 86 4.689 -2.338 -32.284 729 HE3 LYS 86 HE1 LYS 86 3.897 -2.275 -30.703 730 HZ1 LYS 86 HZ1 LYS 86 6.021 -4.198 -31.488 731 HZ2 LYS 86 HZ2 LYS 86 5.278 -4.107 -29.973 732 HZ3 LYS 86 HZ3 LYS 86 6.240 -2.834 -30.514 733 H LEU 87 HN LEU 87 1.908 -2.435 -29.050 734 HA LEU 87 HA LEU 87 3.101 -4.709 -28.162 735 HB2 LEU 87 HB2 LEU 87 3.914 -2.643 -27.350 736 HB3 LEU 87 HB1 LEU 87 2.367 -2.183 -26.671 737 HG LEU 87 HG LEU 87 2.647 -3.933 -24.898 738 HD11 LEU 87 HD11 LEU 87 4.817 -4.996 -24.521 739 HD12 LEU 87 HD12 LEU 87 5.430 -4.307 -26.028 740 HD13 LEU 87 HD13 LEU 87 4.121 -5.492 -26.063 741 HD21 LEU 87 HD21 LEU 87 4.918 -1.935 -25.019 742 HD22 LEU 87 HD22 LEU 87 4.308 -2.742 -23.570 743 HD23 LEU 87 HD23 LEU 87 3.279 -1.613 -24.448 744 H LYS 88 HN LYS 88 0.169 -3.374 -26.559 745 HA LYS 88 HA LYS 88 -0.069 -5.584 -24.759 746 HB2 LYS 88 HB2 LYS 88 -1.895 -3.219 -25.336 747 HB3 LYS 88 HB1 LYS 88 -2.169 -4.374 -24.032 748 HG2 LYS 88 HG2 LYS 88 -0.030 -3.757 -22.995 749 HG3 LYS 88 HG1 LYS 88 0.329 -2.667 -24.329 750 HD2 LYS 88 HD2 LYS 88 -0.392 -1.321 -22.473 751 HD3 LYS 88 HD1 LYS 88 -1.684 -1.296 -23.673 752 HE2 LYS 88 HE2 LYS 88 -1.700 -3.145 -21.263 753 HE3 LYS 88 HE1 LYS 88 -2.416 -1.537 -21.244 754 HZ1 LYS 88 HZ1 LYS 88 -3.836 -2.266 -23.113 755 HZ2 LYS 88 HZ2 LYS 88 -4.102 -3.106 -21.673 756 HZ3 LYS 88 HZ3 LYS 88 -3.231 -3.835 -22.920 757 H LYS 89 HN LYS 89 -1.286 -5.152 -27.987 758 HA LYS 89 HA LYS 89 -3.527 -7.043 -27.650 759 HB2 LYS 89 HB2 LYS 89 -4.160 -6.616 -29.905 760 HB3 LYS 89 HB1 LYS 89 -3.679 -5.057 -29.254 761 HG2 LYS 89 HG2 LYS 89 -1.498 -5.258 -30.409 762 HG3 LYS 89 HG1 LYS 89 -1.995 -6.816 -31.070 763 HD2 LYS 89 HD2 LYS 89 -3.867 -5.678 -32.266 764 HD3 LYS 89 HD1 LYS 89 -3.304 -4.124 -31.640 765 HE2 LYS 89 HE2 LYS 89 -2.525 -4.437 -33.939 766 HE3 LYS 89 HE1 LYS 89 -1.148 -4.453 -32.838 767 HZ1 LYS 89 HZ1 LYS 89 -0.976 -6.188 -34.484 768 HZ2 LYS 89 HZ2 LYS 89 -2.460 -6.836 -34.019 769 HZ3 LYS 89 HZ3 LYS 89 -1.154 -6.873 -32.951 770 H SER 90 HN SER 90 -0.503 -7.622 -27.410 771 HA SER 90 HA SER 90 -0.320 -9.927 -29.253 772 HB2 SER 90 HB2 SER 90 1.355 -8.118 -29.652 773 HB3 SER 90 HB1 SER 90 1.909 -8.272 -27.985 774 HG SER 90 HG SER 90 2.726 -10.251 -28.440 775 H VAL 91 HN VAL 91 -1.109 -9.265 -26.129 776 HA VAL 91 HA VAL 91 0.355 -11.576 -24.958 777 HB VAL 91 HB VAL 91 0.038 -9.017 -23.375 778 HG11 VAL 91 HG11 VAL 91 1.949 -9.895 -22.075 779 HG12 VAL 91 HG12 VAL 91 2.011 -11.315 -23.123 780 HG13 VAL 91 HG13 VAL 91 0.594 -11.031 -22.109 781 HG21 VAL 91 HG21 VAL 91 2.409 -9.597 -25.178 782 HG22 VAL 91 HG22 VAL 91 2.356 -8.329 -23.953 783 HG23 VAL 91 HG23 VAL 91 1.264 -8.267 -25.339 784 H ARG 92 HN ARG 92 -2.506 -9.564 -25.039 785 HA ARG 92 HA ARG 92 -4.542 -9.551 -24.118 786 HB2 ARG 92 HB2 ARG 92 -3.950 -12.393 -23.196 787 HB3 ARG 92 HB1 ARG 92 -5.505 -11.598 -23.003 788 HG2 ARG 92 HG2 ARG 92 -5.820 -12.919 -24.900 789 HG3 ARG 92 HG1 ARG 92 -5.482 -11.329 -25.581 790 HD2 ARG 92 HD2 ARG 92 -4.292 -13.067 -26.816 791 HD3 ARG 92 HD1 ARG 92 -3.138 -12.013 -25.988 792 HE ARG 92 HE ARG 92 -3.923 -14.400 -24.542 793 HH11 ARG 92 HH11 ARG 92 -1.490 -13.018 -26.692 794 HH12 ARG 92 HH12 ARG 92 -0.315 -14.227 -26.291 795 HH21 ARG 92 HH21 ARG 92 -2.398 -15.928 -24.066 796 HH22 ARG 92 HH22 ARG 92 -0.843 -15.879 -24.819 797 H GLY 93 HN GLY 93 -2.858 -11.451 -21.566 798 HA2 GLY 93 HA2 GLY 93 -3.968 -9.715 -19.482 799 HA3 GLY 93 HA1 GLY 93 -3.114 -11.231 -19.254 800 H LEU 94 HN LEU 94 -1.880 -8.664 -21.191 801 HA LEU 94 HA LEU 94 0.570 -8.428 -19.780 802 HB2 LEU 94 HB2 LEU 94 0.512 -7.930 -22.120 803 HB3 LEU 94 HB1 LEU 94 -0.606 -6.603 -21.894 804 HG LEU 94 HG LEU 94 1.109 -5.255 -20.834 805 HD11 LEU 94 HD11 LEU 94 2.269 -6.926 -19.511 806 HD12 LEU 94 HD12 LEU 94 3.429 -6.043 -20.497 807 HD13 LEU 94 HD13 LEU 94 2.933 -7.671 -20.970 808 HD21 LEU 94 HD21 LEU 94 1.134 -5.257 -23.297 809 HD22 LEU 94 HD22 LEU 94 2.310 -6.572 -23.288 810 HD23 LEU 94 HD23 LEU 94 2.744 -4.990 -22.635 811 H VAL 95 HN VAL 95 1.093 -7.359 -18.209 812 HA VAL 95 HA VAL 95 -0.510 -5.182 -16.943 813 HB VAL 95 HB VAL 95 1.277 -7.261 -15.574 814 HG11 VAL 95 HG11 VAL 95 -0.233 -4.927 -14.316 815 HG12 VAL 95 HG12 VAL 95 1.523 -5.090 -14.433 816 HG13 VAL 95 HG13 VAL 95 0.596 -6.204 -13.426 817 HG21 VAL 95 HG21 VAL 95 -0.817 -8.029 -14.497 818 HG22 VAL 95 HG22 VAL 95 -0.927 -8.156 -16.251 819 HG23 VAL 95 HG23 VAL 95 -1.741 -6.834 -15.408 820 H VAL 96 HN VAL 96 0.628 -3.224 -16.819 821 HA VAL 96 HA VAL 96 3.461 -3.231 -17.680 822 HB VAL 96 HB VAL 96 1.326 -1.291 -18.706 823 HG11 VAL 96 HG11 VAL 96 3.070 -0.524 -20.272 824 HG12 VAL 96 HG12 VAL 96 4.227 -1.631 -19.530 825 HG13 VAL 96 HG13 VAL 96 3.555 -0.295 -18.593 826 HG21 VAL 96 HG21 VAL 96 1.516 -2.358 -20.910 827 HG22 VAL 96 HG22 VAL 96 0.938 -3.505 -19.701 828 HG23 VAL 96 HG23 VAL 96 2.615 -3.573 -20.245 829 H VAL 97 HN VAL 97 4.500 -2.358 -15.969 830 HA VAL 97 HA VAL 97 3.135 -0.455 -14.155 831 HB VAL 97 HB VAL 97 5.812 -1.845 -13.707 832 HG11 VAL 97 HG11 VAL 97 3.899 -0.551 -11.720 833 HG12 VAL 97 HG12 VAL 97 5.428 0.129 -12.282 834 HG13 VAL 97 HG13 VAL 97 5.426 -1.349 -11.320 835 HG21 VAL 97 HG21 VAL 97 4.621 -3.527 -12.319 836 HG22 VAL 97 HG22 VAL 97 4.101 -3.595 -14.004 837 HG23 VAL 97 HG23 VAL 97 3.072 -2.825 -12.794 838 H HIS 98 HN HIS 98 3.576 1.711 -14.486 839 HA HIS 98 HA HIS 98 5.804 2.524 -16.206 840 HB2 HIS 98 HB2 HIS 98 3.451 3.268 -16.689 841 HB3 HIS 98 HB1 HIS 98 3.375 4.023 -15.110 842 HD2 HIS 98 HD2 HIS 98 4.454 4.852 -18.683 843 HE1 HIS 98 HE1 HIS 98 5.810 7.973 -16.219 844 HE2 HIS 98 HE2 HIS 98 5.604 7.151 -18.587 845 HA PRO 99 HA PRO 99 8.256 3.681 -12.644 846 HB2 PRO 99 HB2 PRO 99 9.588 5.960 -13.594 847 HB3 PRO 99 HB1 PRO 99 10.051 4.292 -13.955 848 HG2 PRO 99 HG2 PRO 99 8.381 6.192 -15.597 849 HG3 PRO 99 HG1 PRO 99 9.698 5.114 -16.120 850 HD2 PRO 99 HD2 PRO 99 7.146 4.421 -16.513 851 HD3 PRO 99 HD1 PRO 99 8.337 3.199 -16.009 852 H MET 100 HN MET 100 6.135 6.184 -13.994 853 HA MET 100 HA MET 100 6.469 7.912 -11.649 854 HB2 MET 100 HB2 MET 100 4.790 8.336 -14.142 855 HB3 MET 100 HB1 MET 100 4.928 9.492 -12.825 856 HG2 MET 100 HG2 MET 100 7.443 9.463 -13.274 857 HG3 MET 100 HG1 MET 100 7.051 8.646 -14.787 858 HE1 MET 100 HE1 MET 100 4.140 10.095 -15.324 859 HE2 MET 100 HE2 MET 100 5.294 9.764 -16.617 860 HE3 MET 100 HE3 MET 100 4.635 11.389 -16.417 861 H THR 101 HN THR 101 4.476 5.313 -12.415 862 HA THR 101 HA THR 101 2.089 6.111 -11.009 863 HB THR 101 HB THR 101 1.484 3.698 -10.931 864 HG1 THR 101 HG1 THR 101 4.176 3.378 -11.512 865 HG21 THR 101 HG21 THR 101 1.438 3.233 -13.372 866 HG22 THR 101 HG22 THR 101 2.556 4.573 -13.632 867 HG23 THR 101 HG23 THR 101 0.943 4.887 -12.994 868 H ALA 102 HN ALA 102 1.376 4.695 -9.040 869 HA ALA 102 HA ALA 102 2.884 5.467 -6.819 870 HB1 ALA 102 HB1 ALA 102 0.469 5.042 -6.712 871 HB2 ALA 102 HB2 ALA 102 1.323 4.092 -5.498 872 HB3 ALA 102 HB3 ALA 102 0.745 3.316 -6.974 873 H LEU 103 HN LEU 103 2.398 2.083 -8.065 874 HA LEU 103 HA LEU 103 4.290 0.879 -6.331 875 HB2 LEU 103 HB2 LEU 103 2.210 -0.119 -7.527 876 HB3 LEU 103 HB1 LEU 103 3.199 -0.168 -8.967 877 HG LEU 103 HG LEU 103 4.799 -1.697 -7.800 878 HD11 LEU 103 HD11 LEU 103 4.396 -1.063 -5.473 879 HD12 LEU 103 HD12 LEU 103 4.150 -2.793 -5.694 880 HD13 LEU 103 HD13 LEU 103 2.756 -1.720 -5.553 881 HD21 LEU 103 HD21 LEU 103 3.040 -2.608 -9.268 882 HD22 LEU 103 HD22 LEU 103 1.933 -2.709 -7.895 883 HD23 LEU 103 HD23 LEU 103 3.388 -3.708 -7.930 884 H GLY 104 HN GLY 104 4.299 1.721 -9.831 885 HA2 GLY 104 HA2 GLY 104 6.743 1.361 -10.680 886 HA3 GLY 104 HA1 GLY 104 5.907 2.869 -11.024 887 H ARG 105 HN ARG 105 6.061 4.053 -8.319 888 HA ARG 105 HA ARG 105 8.844 4.809 -8.321 889 HB2 ARG 105 HB2 ARG 105 6.416 5.759 -6.733 890 HB3 ARG 105 HB1 ARG 105 8.037 6.426 -6.541 891 HG2 ARG 105 HG2 ARG 105 7.997 7.166 -8.896 892 HG3 ARG 105 HG1 ARG 105 6.378 6.512 -9.076 893 HD2 ARG 105 HD2 ARG 105 6.408 8.986 -8.709 894 HD3 ARG 105 HD1 ARG 105 5.473 8.109 -7.499 895 HE ARG 105 HE ARG 105 7.758 8.288 -6.205 896 HH11 ARG 105 HH11 ARG 105 6.340 10.832 -8.155 897 HH12 ARG 105 HH12 ARG 105 6.851 12.097 -7.085 898 HH21 ARG 105 HH21 ARG 105 8.405 9.945 -4.806 899 HH22 ARG 105 HH22 ARG 105 8.026 11.597 -5.183 900 H GLU 106 HN GLU 106 6.572 2.783 -6.447 901 HA GLU 106 HA GLU 106 7.861 2.937 -3.939 902 HB2 GLU 106 HB2 GLU 106 5.491 2.387 -4.133 903 HB3 GLU 106 HB1 GLU 106 5.846 1.006 -5.160 904 HG2 GLU 106 HG2 GLU 106 5.238 0.263 -2.929 905 HG3 GLU 106 HG1 GLU 106 6.921 -0.144 -3.267 906 H MET 107 HN MET 107 7.658 0.185 -6.379 907 HA MET 107 HA MET 107 9.662 -1.385 -5.176 908 HB2 MET 107 HB2 MET 107 8.411 -1.373 -7.960 909 HB3 MET 107 HB1 MET 107 9.514 -2.620 -7.404 910 HG2 MET 107 HG2 MET 107 7.926 -3.521 -5.897 911 HG3 MET 107 HG1 MET 107 6.953 -2.057 -5.899 912 HE1 MET 107 HE1 MET 107 8.116 -5.132 -8.014 913 HE2 MET 107 HE2 MET 107 8.213 -3.936 -9.319 914 HE3 MET 107 HE3 MET 107 6.935 -5.164 -9.323 915 H GLY 108 HN GLY 108 9.833 1.498 -6.986 916 HA2 GLY 108 HA2 GLY 108 11.726 2.823 -7.139 917 HA3 GLY 108 HA1 GLY 108 12.739 1.427 -6.818 918 H LEU 109 HN LEU 109 10.275 1.514 -9.340 919 HA LEU 109 HA LEU 109 12.228 0.905 -11.386 920 HB2 LEU 109 HB2 LEU 109 9.257 1.479 -11.740 921 HB3 LEU 109 HB1 LEU 109 10.324 0.692 -12.894 922 HG LEU 109 HG LEU 109 9.379 -0.456 -10.234 923 HD11 LEU 109 HD11 LEU 109 7.662 -0.477 -11.991 924 HD12 LEU 109 HD12 LEU 109 8.195 -2.108 -11.597 925 HD13 LEU 109 HD13 LEU 109 8.764 -1.331 -13.077 926 HD21 LEU 109 HD21 LEU 109 10.563 -2.524 -10.826 927 HD22 LEU 109 HD22 LEU 109 11.692 -1.182 -10.672 928 HD23 LEU 109 HD23 LEU 109 11.223 -1.758 -12.277 929 H GLU 110 HN GLU 110 13.215 2.362 -12.629 930 HA GLU 110 HA GLU 110 12.155 5.125 -12.935 931 HB2 GLU 110 HB2 GLU 110 14.497 5.760 -13.474 932 HB3 GLU 110 HB1 GLU 110 14.361 5.044 -11.869 933 HG2 GLU 110 HG2 GLU 110 15.169 2.882 -12.786 934 HG3 GLU 110 HG1 GLU 110 15.361 3.636 -14.367 935 H GLU 111 HN GLU 111 11.972 2.314 -14.349 936 HA GLU 111 HA GLU 111 11.673 3.379 -17.071 937 HB2 GLU 111 HB2 GLU 111 12.774 1.440 -18.098 938 HB3 GLU 111 HB1 GLU 111 13.909 2.295 -17.065 939 HG2 GLU 111 HG2 GLU 111 12.471 -0.278 -16.300 940 HG3 GLU 111 HG1 GLU 111 14.102 -0.200 -16.964 941 H MET 112 HN MET 112 10.047 2.289 -18.272 942 HA MET 112 HA MET 112 7.975 1.079 -16.715 943 HB2 MET 112 HB2 MET 112 7.357 2.525 -18.587 944 HB3 MET 112 HB1 MET 112 8.244 1.508 -19.722 945 HG2 MET 112 HG2 MET 112 6.690 -0.342 -19.255 946 HG3 MET 112 HG1 MET 112 5.795 0.696 -18.147 947 HE1 MET 112 HE1 MET 112 5.023 3.269 -19.232 948 HE2 MET 112 HE2 MET 112 3.829 2.037 -18.826 949 HE3 MET 112 HE3 MET 112 3.706 2.921 -20.351 950 H THR 113 HN THR 113 7.641 -1.036 -16.363 951 HA THR 113 HA THR 113 9.198 -3.062 -17.817 952 HB THR 113 HB THR 113 8.320 -3.089 -14.880 953 HG1 THR 113 HG1 THR 113 10.040 -1.537 -15.440 954 HG21 THR 113 HG21 THR 113 9.842 -4.997 -14.628 955 HG22 THR 113 HG22 THR 113 10.230 -4.938 -16.352 956 HG23 THR 113 HG23 THR 113 8.595 -5.356 -15.826 957 H GLY 114 HN GLY 114 7.817 -5.189 -18.027 958 HA2 GLY 114 HA2 GLY 114 5.031 -4.987 -17.123 959 HA3 GLY 114 HA1 GLY 114 5.338 -5.102 -18.851 960 H PHE 115 HN PHE 115 4.076 -6.927 -16.763 961 HA PHE 115 HA PHE 115 5.668 -9.397 -17.219 962 HB2 PHE 115 HB2 PHE 115 3.927 -8.803 -14.784 963 HB3 PHE 115 HB1 PHE 115 5.002 -10.173 -15.015 964 HD1 PHE 115 HD1 PHE 115 4.895 -6.495 -14.412 965 HD2 PHE 115 HD2 PHE 115 7.329 -10.016 -14.374 966 HE1 PHE 115 HE1 PHE 115 6.659 -5.272 -13.210 967 HE2 PHE 115 HE2 PHE 115 9.080 -8.779 -13.187 968 HZ PHE 115 HZ PHE 115 8.753 -6.414 -12.597 969 H SER 116 HN SER 116 4.303 -11.359 -17.743 970 HA SER 116 HA SER 116 1.475 -11.181 -17.014 971 HB2 SER 116 HB2 SER 116 1.826 -10.463 -19.429 972 HB3 SER 116 HB1 SER 116 2.515 -12.039 -19.757 973 HG SER 116 HG SER 116 -0.137 -11.528 -18.849 974 H LYS 117 HN LYS 117 0.390 -13.334 -17.475 975 HA LYS 117 HA LYS 117 1.962 -15.648 -16.623 976 HB2 LYS 117 HB2 LYS 117 -1.037 -15.292 -17.072 977 HB3 LYS 117 HB1 LYS 117 -0.289 -16.784 -16.503 978 HG2 LYS 117 HG2 LYS 117 -0.150 -14.129 -15.034 979 HG3 LYS 117 HG1 LYS 117 -1.328 -15.391 -14.688 980 HD2 LYS 117 HD2 LYS 117 1.675 -15.831 -14.510 981 HD3 LYS 117 HD1 LYS 117 0.714 -15.274 -13.149 982 HE2 LYS 117 HE2 LYS 117 1.050 -17.646 -12.901 983 HE3 LYS 117 HE1 LYS 117 -0.639 -17.388 -13.318 984 HZ1 LYS 117 HZ1 LYS 117 -0.140 -18.050 -15.581 985 HZ2 LYS 117 HZ2 LYS 117 0.301 -19.259 -14.492 986 HZ3 LYS 117 HZ3 LYS 117 1.489 -18.280 -15.187 987 H THR 118 HN THR 118 1.105 -14.150 -19.474 988 HA THR 118 HA THR 118 1.523 -16.580 -21.108 989 HB THR 118 HB THR 118 0.039 -15.446 -22.853 990 HG1 THR 118 HG1 THR 118 0.180 -13.379 -21.390 991 HG21 THR 118 HG21 THR 118 -0.852 -17.313 -21.503 992 HG22 THR 118 HG22 THR 118 -2.110 -16.122 -21.834 993 HG23 THR 118 HG23 THR 118 -1.344 -16.180 -20.244 994 H THR 119 HN THR 119 2.820 -16.217 -22.964 995 HA THR 119 HA THR 119 4.827 -14.260 -22.630 996 HB THR 119 HB THR 119 5.354 -16.488 -23.558 997 HG1 THR 119 HG1 THR 119 6.916 -15.703 -24.844 998 HG21 THR 119 HG21 THR 119 3.419 -16.888 -25.026 999 HG22 THR 119 HG22 THR 119 4.921 -17.012 -25.944 1000 HG23 THR 119 HG23 THR 119 3.924 -15.562 -26.079 1001 H PHE 120 HN PHE 120 5.474 -12.655 -24.038 1002 HA PHE 120 HA PHE 120 3.356 -11.034 -25.153 1003 HB2 PHE 120 HB2 PHE 120 6.364 -10.512 -25.087 1004 HB3 PHE 120 HB1 PHE 120 5.121 -9.345 -25.488 1005 HD1 PHE 120 HD1 PHE 120 5.143 -11.715 -22.547 1006 HD2 PHE 120 HD2 PHE 120 5.510 -7.665 -23.887 1007 HE1 PHE 120 HE1 PHE 120 5.186 -10.945 -20.219 1008 HE2 PHE 120 HE2 PHE 120 5.556 -6.913 -21.551 1009 HZ PHE 120 HZ PHE 120 5.394 -8.551 -19.721 Start of MODEL 9 1 H MET 1 HT1 MET 1 -15.409 -5.317 -8.241 2 HA MET 1 HA MET 1 -16.730 -5.985 -6.356 3 HB2 MET 1 HB2 MET 1 -15.564 -7.665 -7.794 4 HB3 MET 1 HB1 MET 1 -14.186 -7.639 -6.708 5 HG2 MET 1 HG2 MET 1 -16.959 -8.514 -5.865 6 HG3 MET 1 HG1 MET 1 -15.726 -9.617 -6.471 7 HE1 MET 1 HE1 MET 1 -13.041 -8.394 -5.136 8 HE2 MET 1 HE2 MET 1 -13.419 -10.116 -5.186 9 HE3 MET 1 HE3 MET 1 -12.975 -9.358 -3.659 10 H LYS 2 HN LYS 2 -16.985 -5.093 -4.421 11 HA LYS 2 HA LYS 2 -16.712 -4.199 -2.389 12 HB2 LYS 2 HB2 LYS 2 -14.506 -6.263 -2.072 13 HB3 LYS 2 HB1 LYS 2 -15.214 -5.340 -0.751 14 HG2 LYS 2 HG2 LYS 2 -17.411 -6.415 -1.225 15 HG3 LYS 2 HG1 LYS 2 -16.645 -7.384 -2.487 16 HD2 LYS 2 HD2 LYS 2 -15.988 -7.444 0.490 17 HD3 LYS 2 HD1 LYS 2 -16.848 -8.688 -0.421 18 HE2 LYS 2 HE2 LYS 2 -14.829 -9.163 -1.738 19 HE3 LYS 2 HE1 LYS 2 -13.956 -7.867 -0.918 20 HZ1 LYS 2 HZ1 LYS 2 -15.051 -10.291 0.389 21 HZ2 LYS 2 HZ2 LYS 2 -14.175 -9.065 1.154 22 HZ3 LYS 2 HZ3 LYS 2 -13.426 -10.042 -0.008 23 H GLU 3 HN GLU 3 -13.211 -4.903 -2.621 24 HA GLU 3 HA GLU 3 -11.340 -3.611 -2.566 25 HB2 GLU 3 HB2 GLU 3 -13.068 -1.679 -4.183 26 HB3 GLU 3 HB1 GLU 3 -11.307 -1.653 -4.115 27 HG2 GLU 3 HG2 GLU 3 -11.106 -3.655 -5.370 28 HG3 GLU 3 HG1 GLU 3 -12.792 -4.100 -5.102 29 H VAL 4 HN VAL 4 -12.824 -3.443 -0.233 30 HA VAL 4 HA VAL 4 -13.638 -0.677 0.268 31 HB VAL 4 HB VAL 4 -14.818 -1.543 2.263 32 HG11 VAL 4 HG11 VAL 4 -16.007 -1.478 0.132 33 HG12 VAL 4 HG12 VAL 4 -16.548 -2.843 1.108 34 HG13 VAL 4 HG13 VAL 4 -15.456 -3.110 -0.253 35 HG21 VAL 4 HG21 VAL 4 -13.318 -3.381 2.883 36 HG22 VAL 4 HG22 VAL 4 -13.779 -4.282 1.434 37 HG23 VAL 4 HG23 VAL 4 -14.969 -3.973 2.703 38 H GLU 5 HN GLU 5 -10.638 -2.336 0.967 39 HA GLU 5 HA GLU 5 -10.567 -2.051 3.774 40 HB2 GLU 5 HB2 GLU 5 -8.386 -2.548 1.698 41 HB3 GLU 5 HB1 GLU 5 -8.117 -2.611 3.432 42 HG2 GLU 5 HG2 GLU 5 -8.292 -4.849 2.492 43 HG3 GLU 5 HG1 GLU 5 -9.607 -4.540 3.627 44 H LYS 6 HN LYS 6 -9.834 0.024 1.099 45 HA LYS 6 HA LYS 6 -8.166 1.946 2.176 46 HB2 LYS 6 HB2 LYS 6 -9.572 3.623 0.729 47 HB3 LYS 6 HB1 LYS 6 -8.705 2.317 -0.053 48 HG2 LYS 6 HG2 LYS 6 -10.764 2.368 -1.161 49 HG3 LYS 6 HG1 LYS 6 -10.899 1.008 -0.047 50 HD2 LYS 6 HD2 LYS 6 -12.207 2.425 1.504 51 HD3 LYS 6 HD1 LYS 6 -12.067 3.780 0.382 52 HE2 LYS 6 HE2 LYS 6 -13.297 2.444 -1.333 53 HE3 LYS 6 HE1 LYS 6 -13.482 1.144 -0.155 54 HZ1 LYS 6 HZ1 LYS 6 -14.567 3.892 0.109 55 HZ2 LYS 6 HZ2 LYS 6 -14.746 2.657 1.247 56 HZ3 LYS 6 HZ3 LYS 6 -15.453 2.508 -0.280 57 H ASN 7 HN ASN 7 -11.441 1.277 3.222 58 HA ASN 7 HA ASN 7 -11.857 3.632 4.814 59 HB2 ASN 7 HB2 ASN 7 -13.140 0.879 4.638 60 HB3 ASN 7 HB1 ASN 7 -13.577 1.955 5.948 61 HD21 ASN 7 HD21 ASN 7 -15.721 1.971 5.181 62 HD22 ASN 7 HD22 ASN 7 -16.184 2.886 3.795 63 H GLU 8 HN GLU 8 -10.797 0.336 5.391 64 HA GLU 8 HA GLU 8 -10.270 0.438 8.165 65 HB2 GLU 8 HB2 GLU 8 -9.227 -1.356 5.943 66 HB3 GLU 8 HB1 GLU 8 -8.701 -1.581 7.604 67 HG2 GLU 8 HG2 GLU 8 -10.526 -3.119 6.891 68 HG3 GLU 8 HG1 GLU 8 -10.903 -2.167 8.322 69 H ILE 9 HN ILE 9 -7.924 0.846 5.424 70 HA ILE 9 HA ILE 9 -5.692 1.435 6.962 71 HB ILE 9 HB ILE 9 -6.313 2.338 4.118 72 HG12 ILE 9 HG12 ILE 9 -6.433 -0.135 4.350 73 HG13 ILE 9 HG11 ILE 9 -5.038 0.329 3.392 74 HG21 ILE 9 HG21 ILE 9 -3.845 2.523 3.830 75 HG22 ILE 9 HG22 ILE 9 -3.632 2.174 5.548 76 HG23 ILE 9 HG23 ILE 9 -4.461 3.645 5.043 77 HD11 ILE 9 HD11 ILE 9 -4.972 -0.526 6.298 78 HD12 ILE 9 HD12 ILE 9 -3.566 -0.082 5.324 79 HD13 ILE 9 HD13 ILE 9 -4.513 -1.508 4.908 80 H LYS 10 HN LYS 10 -8.168 3.645 5.570 81 HA LYS 10 HA LYS 10 -7.044 6.083 6.438 82 HB2 LYS 10 HB2 LYS 10 -8.958 5.943 4.867 83 HB3 LYS 10 HB1 LYS 10 -10.005 5.369 6.158 84 HG2 LYS 10 HG2 LYS 10 -8.644 8.069 6.380 85 HG3 LYS 10 HG1 LYS 10 -10.097 7.894 5.398 86 HD2 LYS 10 HD2 LYS 10 -11.410 7.247 7.329 87 HD3 LYS 10 HD1 LYS 10 -9.973 7.112 8.337 88 HE2 LYS 10 HE2 LYS 10 -9.609 9.561 8.140 89 HE3 LYS 10 HE1 LYS 10 -11.075 9.689 7.163 90 HZ1 LYS 10 HZ1 LYS 10 -12.361 8.907 9.032 91 HZ2 LYS 10 HZ2 LYS 10 -11.457 10.255 9.495 92 HZ3 LYS 10 HZ3 LYS 10 -10.971 8.707 9.965 93 H ARG 11 HN ARG 11 -9.245 3.906 8.046 94 HA ARG 11 HA ARG 11 -9.710 5.132 10.479 95 HB2 ARG 11 HB2 ARG 11 -10.858 3.120 9.807 96 HB3 ARG 11 HB1 ARG 11 -9.382 2.169 9.955 97 HG2 ARG 11 HG2 ARG 11 -9.382 2.539 12.400 98 HG3 ARG 11 HG1 ARG 11 -10.853 3.516 12.247 99 HD2 ARG 11 HD2 ARG 11 -10.550 0.550 11.672 100 HD3 ARG 11 HD1 ARG 11 -11.493 1.299 12.961 101 HE ARG 11 HE ARG 11 -12.948 2.249 11.201 102 HH11 ARG 11 HH11 ARG 11 -11.096 -0.631 10.441 103 HH12 ARG 11 HH12 ARG 11 -12.140 -1.093 9.132 104 HH21 ARG 11 HH21 ARG 11 -14.275 1.650 9.450 105 HH22 ARG 11 HH22 ARG 11 -13.918 0.203 8.555 106 H LEU 12 HN LEU 12 -7.071 2.687 10.008 107 HA LEU 12 HA LEU 12 -5.910 3.146 12.555 108 HB2 LEU 12 HB2 LEU 12 -3.973 1.822 11.721 109 HB3 LEU 12 HB1 LEU 12 -5.526 1.062 11.448 110 HG LEU 12 HG LEU 12 -5.212 2.237 9.015 111 HD11 LEU 12 HD11 LEU 12 -2.914 2.052 8.203 112 HD12 LEU 12 HD12 LEU 12 -2.346 1.666 9.830 113 HD13 LEU 12 HD13 LEU 12 -3.039 3.254 9.487 114 HD21 LEU 12 HD21 LEU 12 -5.685 -0.137 9.382 115 HD22 LEU 12 HD22 LEU 12 -3.981 -0.436 9.750 116 HD23 LEU 12 HD23 LEU 12 -4.464 0.091 8.132 117 H SER 13 HN SER 13 -5.013 4.489 9.358 118 HA SER 13 HA SER 13 -2.974 6.203 10.028 119 HB2 SER 13 HB2 SER 13 -5.314 6.800 8.164 120 HB3 SER 13 HB1 SER 13 -3.798 7.706 8.197 121 HG SER 13 HG SER 13 -4.333 5.491 6.868 122 H ASP 14 HN ASP 14 -6.461 7.087 10.231 123 HA ASP 14 HA ASP 14 -6.331 9.525 11.544 124 HB2 ASP 14 HB2 ASP 14 -8.409 8.678 10.559 125 HB3 ASP 14 HB1 ASP 14 -8.407 7.296 11.640 126 H ARG 15 HN ARG 15 -6.114 6.310 12.793 127 HA ARG 15 HA ARG 15 -6.547 6.839 15.581 128 HB2 ARG 15 HB2 ARG 15 -6.699 4.530 14.561 129 HB3 ARG 15 HB1 ARG 15 -4.944 4.517 14.417 130 HG2 ARG 15 HG2 ARG 15 -5.615 3.258 16.394 131 HG3 ARG 15 HG1 ARG 15 -4.743 4.717 16.880 132 HD2 ARG 15 HD2 ARG 15 -7.015 5.828 17.191 133 HD3 ARG 15 HD1 ARG 15 -7.731 4.226 16.977 134 HE ARG 15 HE ARG 15 -6.076 3.672 18.937 135 HH11 ARG 15 HH11 ARG 15 -8.076 6.539 18.585 136 HH12 ARG 15 HH12 ARG 15 -8.246 6.776 20.295 137 HH21 ARG 15 HH21 ARG 15 -6.305 3.992 21.179 138 HH22 ARG 15 HH22 ARG 15 -7.238 5.335 21.767 139 H LEU 16 HN LEU 16 -3.517 6.139 13.812 140 HA LEU 16 HA LEU 16 -1.768 6.789 15.935 141 HB2 LEU 16 HB2 LEU 16 -1.349 5.315 13.854 142 HB3 LEU 16 HB1 LEU 16 -1.053 6.797 12.974 143 HG LEU 16 HG LEU 16 1.018 5.523 13.723 144 HD11 LEU 16 HD11 LEU 16 0.881 8.362 14.760 145 HD12 LEU 16 HD12 LEU 16 1.203 7.877 13.094 146 HD13 LEU 16 HD13 LEU 16 2.342 7.452 14.369 147 HD21 LEU 16 HD21 LEU 16 0.244 4.802 15.926 148 HD22 LEU 16 HD22 LEU 16 0.259 6.472 16.502 149 HD23 LEU 16 HD23 LEU 16 1.767 5.676 16.041 150 H ASP 17 HN ASP 17 -2.966 8.696 13.140 151 HA ASP 17 HA ASP 17 -1.521 11.029 13.390 152 HB2 ASP 17 HB2 ASP 17 -3.026 10.594 11.512 153 HB3 ASP 17 HB1 ASP 17 -4.422 10.625 12.574 154 H ALA 18 HN ALA 18 -4.852 10.658 14.695 155 HA ALA 18 HA ALA 18 -4.977 12.665 16.505 156 HB1 ALA 18 HB1 ALA 18 -6.840 11.149 16.019 157 HB2 ALA 18 HB2 ALA 18 -6.623 11.348 17.759 158 HB3 ALA 18 HB3 ALA 18 -6.063 9.875 16.960 159 H ILE 19 HN ILE 19 -3.184 9.632 17.000 160 HA ILE 19 HA ILE 19 -2.734 10.108 19.817 161 HB ILE 19 HB ILE 19 -1.483 8.099 17.916 162 HG12 ILE 19 HG12 ILE 19 -3.438 7.893 20.257 163 HG13 ILE 19 HG11 ILE 19 -3.801 7.640 18.555 164 HG21 ILE 19 HG21 ILE 19 -0.345 7.036 19.862 165 HG22 ILE 19 HG22 ILE 19 -0.841 8.388 20.884 166 HG23 ILE 19 HG23 ILE 19 0.280 8.653 19.549 167 HD11 ILE 19 HD11 ILE 19 -2.084 5.884 20.296 168 HD12 ILE 19 HD12 ILE 19 -2.411 5.635 18.580 169 HD13 ILE 19 HD13 ILE 19 -3.727 5.558 19.746 170 H ARG 20 HN ARG 20 -0.526 10.476 16.959 171 HA ARG 20 HA ARG 20 1.578 11.621 18.362 172 HB2 ARG 20 HB2 ARG 20 2.469 12.374 16.205 173 HB3 ARG 20 HB1 ARG 20 1.876 10.731 16.108 174 HG2 ARG 20 HG2 ARG 20 1.158 11.617 14.083 175 HG3 ARG 20 HG1 ARG 20 -0.277 11.811 15.084 176 HD2 ARG 20 HD2 ARG 20 0.356 14.176 15.486 177 HD3 ARG 20 HD1 ARG 20 1.752 13.971 14.429 178 HE ARG 20 HE ARG 20 -0.603 13.293 13.021 179 HH11 ARG 20 HH11 ARG 20 1.028 16.131 14.320 180 HH12 ARG 20 HH12 ARG 20 0.294 17.216 13.185 181 HH21 ARG 20 HH21 ARG 20 -1.541 14.761 11.522 182 HH22 ARG 20 HH22 ARG 20 -1.148 16.447 11.602 183 H HIS 21 HN HIS 21 -1.287 13.310 16.901 184 HA HIS 21 HA HIS 21 -0.566 15.922 17.496 185 HB2 HIS 21 HB2 HIS 21 -2.476 15.237 16.048 186 HB3 HIS 21 HB1 HIS 21 -3.324 14.616 17.449 187 HD1 HIS 21 HD1 HIS 21 -5.228 16.140 17.838 188 HD2 HIS 21 HD2 HIS 21 -1.777 18.253 16.904 189 HE1 HIS 21 HE1 HIS 21 -5.848 18.564 18.048 190 HE2 HIS 21 HE2 HIS 21 -3.762 19.828 17.415 191 H GLN 22 HN GLN 22 -2.416 13.592 19.307 192 HA GLN 22 HA GLN 22 -3.038 14.916 21.683 193 HB2 GLN 22 HB2 GLN 22 -4.044 12.839 21.431 194 HB3 GLN 22 HB1 GLN 22 -2.575 12.077 20.851 195 HG2 GLN 22 HG2 GLN 22 -1.739 12.200 23.275 196 HG3 GLN 22 HG1 GLN 22 -3.408 12.593 23.707 197 HE21 GLN 22 HE21 GLN 22 -1.307 10.173 22.268 198 HE22 GLN 22 HE22 GLN 22 -2.373 8.826 22.479 199 H GLN 23 HN GLN 23 -0.042 13.200 20.824 200 HA GLN 23 HA GLN 23 1.267 13.750 23.332 201 HB2 GLN 23 HB2 GLN 23 2.283 12.630 20.690 202 HB3 GLN 23 HB1 GLN 23 3.244 12.712 22.172 203 HG2 GLN 23 HG2 GLN 23 1.622 11.244 23.308 204 HG3 GLN 23 HG1 GLN 23 0.652 11.177 21.836 205 HE21 GLN 23 HE21 GLN 23 3.629 10.151 23.363 206 HE22 GLN 23 HE22 GLN 23 4.031 8.931 22.212 207 H ALA 24 HN ALA 24 1.081 15.396 20.208 208 HA ALA 24 HA ALA 24 3.091 17.371 20.846 209 HB1 ALA 24 HB1 ALA 24 2.481 16.891 18.508 210 HB2 ALA 24 HB2 ALA 24 2.199 18.591 18.894 211 HB3 ALA 24 HB3 ALA 24 0.838 17.467 18.803 212 H ASP 25 HN ASP 25 -0.158 16.798 21.803 213 HA ASP 25 HA ASP 25 -0.739 19.552 22.647 214 HB2 ASP 25 HB2 ASP 25 -2.285 16.930 22.828 215 HB3 ASP 25 HB1 ASP 25 -2.756 18.305 23.814 216 H LEU 26 HN LEU 26 0.416 16.468 23.804 217 HA LEU 26 HA LEU 26 0.947 17.556 26.492 218 HB2 LEU 26 HB2 LEU 26 1.618 14.795 25.389 219 HB3 LEU 26 HB1 LEU 26 1.844 15.323 27.048 220 HG LEU 26 HG LEU 26 -0.735 14.608 25.620 221 HD11 LEU 26 HD11 LEU 26 -1.089 13.182 27.582 222 HD12 LEU 26 HD12 LEU 26 0.398 13.784 28.317 223 HD13 LEU 26 HD13 LEU 26 0.469 12.839 26.829 224 HD21 LEU 26 HD21 LEU 26 -2.049 15.480 27.517 225 HD22 LEU 26 HD22 LEU 26 -1.238 16.772 26.640 226 HD23 LEU 26 HD23 LEU 26 -0.596 16.228 28.193 227 H SER 27 HN SER 27 3.154 17.257 27.345 228 HA SER 27 HA SER 27 5.312 17.092 25.352 229 HB2 SER 27 HB2 SER 27 5.129 19.483 25.852 230 HB3 SER 27 HB1 SER 27 5.155 19.167 27.583 231 HG SER 27 HG SER 27 7.217 19.394 25.821 232 H LEU 28 HN LEU 28 7.245 16.217 26.171 233 HA LEU 28 HA LEU 28 7.107 14.347 28.280 234 HB2 LEU 28 HB2 LEU 28 9.365 13.791 27.820 235 HB3 LEU 28 HB1 LEU 28 8.627 14.164 26.287 236 HG LEU 28 HG LEU 28 10.788 15.017 26.102 237 HD11 LEU 28 HD11 LEU 28 10.672 17.434 25.937 238 HD12 LEU 28 HD12 LEU 28 9.186 17.448 26.892 239 HD13 LEU 28 HD13 LEU 28 9.216 16.670 25.305 240 HD21 LEU 28 HD21 LEU 28 11.994 16.348 27.754 241 HD22 LEU 28 HD22 LEU 28 11.501 14.782 28.399 242 HD23 LEU 28 HD23 LEU 28 10.617 16.240 28.855 243 H VAL 29 HN VAL 29 7.746 17.733 28.326 244 HA VAL 29 HA VAL 29 9.074 17.746 30.913 245 HB VAL 29 HB VAL 29 7.816 20.110 29.442 246 HG11 VAL 29 HG11 VAL 29 9.921 20.067 31.639 247 HG12 VAL 29 HG12 VAL 29 8.241 20.568 31.828 248 HG13 VAL 29 HG13 VAL 29 9.333 21.509 30.810 249 HG21 VAL 29 HG21 VAL 29 10.082 20.606 28.574 250 HG22 VAL 29 HG22 VAL 29 9.489 19.047 27.995 251 HG23 VAL 29 HG23 VAL 29 10.680 19.109 29.294 252 H GLU 30 HN GLU 30 5.778 18.359 29.653 253 HA GLU 30 HA GLU 30 4.883 19.310 32.289 254 HB2 GLU 30 HB2 GLU 30 2.875 20.102 31.200 255 HB3 GLU 30 HB1 GLU 30 4.256 20.579 30.220 256 HG2 GLU 30 HG2 GLU 30 3.797 18.657 28.697 257 HG3 GLU 30 HG1 GLU 30 2.370 18.270 29.654 258 H ALA 31 HN ALA 31 4.577 16.424 30.332 259 HA ALA 31 HA ALA 31 2.585 15.257 32.162 260 HB1 ALA 31 HB1 ALA 31 1.041 14.714 30.302 261 HB2 ALA 31 HB2 ALA 31 2.067 15.615 29.182 262 HB3 ALA 31 HB3 ALA 31 1.238 16.460 30.489 263 H ALA 32 HN ALA 32 5.063 14.273 32.175 264 HA ALA 32 HA ALA 32 5.273 12.038 30.229 265 HB1 ALA 32 HB1 ALA 32 7.653 11.907 30.865 266 HB2 ALA 32 HB2 ALA 32 7.453 13.300 31.930 267 HB3 ALA 32 HB3 ALA 32 7.258 13.486 30.188 268 H ASP 33 HN ASP 33 5.367 9.937 31.209 269 HA ASP 33 HA ASP 33 4.839 8.498 32.980 270 HB2 ASP 33 HB2 ASP 33 4.429 10.192 34.782 271 HB3 ASP 33 HB1 ASP 33 2.994 10.745 33.934 272 H LYS 34 HN LYS 34 1.870 10.374 32.509 273 HA LYS 34 HA LYS 34 0.478 8.874 30.766 274 HB2 LYS 34 HB2 LYS 34 0.115 11.357 31.815 275 HB3 LYS 34 HB1 LYS 34 0.437 11.823 30.157 276 HG2 LYS 34 HG2 LYS 34 -1.790 9.986 31.111 277 HG3 LYS 34 HG1 LYS 34 -1.969 11.670 30.612 278 HD2 LYS 34 HD2 LYS 34 -1.235 11.040 28.320 279 HD3 LYS 34 HD1 LYS 34 -1.104 9.357 28.833 280 HE2 LYS 34 HE2 LYS 34 -3.191 9.737 27.623 281 HE3 LYS 34 HE1 LYS 34 -3.531 9.322 29.305 282 HZ1 LYS 34 HZ1 LYS 34 -4.878 11.176 28.464 283 HZ2 LYS 34 HZ2 LYS 34 -3.474 12.083 28.220 284 HZ3 LYS 34 HZ3 LYS 34 -3.922 11.629 29.781 285 H TYR 35 HN TYR 35 2.901 11.270 29.766 286 HA TYR 35 HA TYR 35 2.654 10.915 26.930 287 HB2 TYR 35 HB2 TYR 35 3.738 12.956 27.881 288 HB3 TYR 35 HB1 TYR 35 5.068 11.971 28.468 289 HD1 TYR 35 HD2 TYR 35 3.352 13.102 25.355 290 HD2 TYR 35 HD1 TYR 35 6.964 11.546 27.025 291 HE1 TYR 35 HE2 TYR 35 4.498 13.452 23.220 292 HE2 TYR 35 HE1 TYR 35 8.106 11.901 24.873 293 HH TYR 35 HH TYR 35 7.302 12.018 22.384 294 H ALA 36 HN ALA 36 4.588 9.394 29.438 295 HA ALA 36 HA ALA 36 6.432 7.972 27.843 296 HB1 ALA 36 HB1 ALA 36 6.747 8.314 30.256 297 HB2 ALA 36 HB2 ALA 36 6.847 6.601 29.841 298 HB3 ALA 36 HB3 ALA 36 5.383 7.249 30.596 299 H GLU 37 HN GLU 37 3.347 6.866 29.333 300 HA GLU 37 HA GLU 37 3.169 4.387 28.111 301 HB2 GLU 37 HB2 GLU 37 0.745 6.116 28.758 302 HB3 GLU 37 HB1 GLU 37 0.854 4.356 28.776 303 HG2 GLU 37 HG2 GLU 37 2.003 6.333 30.771 304 HG3 GLU 37 HG1 GLU 37 0.782 5.094 31.040 305 H LEU 38 HN LEU 38 1.766 7.446 27.097 306 HA LEU 38 HA LEU 38 0.573 6.698 24.696 307 HB2 LEU 38 HB2 LEU 38 1.964 9.317 25.291 308 HB3 LEU 38 HB1 LEU 38 0.969 9.043 23.865 309 HG LEU 38 HG LEU 38 0.057 9.081 26.758 310 HD11 LEU 38 HD11 LEU 38 -0.678 10.852 24.418 311 HD12 LEU 38 HD12 LEU 38 0.381 11.277 25.764 312 HD13 LEU 38 HD13 LEU 38 -1.325 10.969 26.060 313 HD21 LEU 38 HD21 LEU 38 -1.160 7.274 25.662 314 HD22 LEU 38 HD22 LEU 38 -1.609 8.343 24.329 315 HD23 LEU 38 HD23 LEU 38 -2.235 8.638 25.955 316 H GLU 39 HN GLU 39 3.985 7.586 25.147 317 HA GLU 39 HA GLU 39 4.979 7.107 22.577 318 HB2 GLU 39 HB2 GLU 39 6.272 6.726 25.301 319 HB3 GLU 39 HB1 GLU 39 7.162 6.480 23.805 320 HG2 GLU 39 HG2 GLU 39 5.833 9.083 24.622 321 HG3 GLU 39 HG1 GLU 39 7.535 8.702 24.861 322 H LYS 40 HN LYS 40 4.424 4.781 25.235 323 HA LYS 40 HA LYS 40 5.449 2.464 23.905 324 HB2 LYS 40 HB2 LYS 40 3.415 2.627 26.164 325 HB3 LYS 40 HB1 LYS 40 4.333 1.188 25.719 326 HG2 LYS 40 HG2 LYS 40 6.413 2.217 26.429 327 HG3 LYS 40 HG1 LYS 40 5.616 3.773 26.662 328 HD2 LYS 40 HD2 LYS 40 4.216 2.725 28.470 329 HD3 LYS 40 HD1 LYS 40 5.171 1.248 28.298 330 HE2 LYS 40 HE2 LYS 40 7.201 2.468 28.961 331 HE3 LYS 40 HE1 LYS 40 6.290 3.976 29.049 332 HZ1 LYS 40 HZ1 LYS 40 6.613 3.020 31.221 333 HZ2 LYS 40 HZ2 LYS 40 5.849 1.586 30.748 334 HZ3 LYS 40 HZ3 LYS 40 4.970 3.030 30.824 335 H GLU 41 HN GLU 41 2.039 3.426 24.489 336 HA GLU 41 HA GLU 41 0.644 1.626 22.983 337 HB2 GLU 41 HB2 GLU 41 -0.114 4.578 23.069 338 HB3 GLU 41 HB1 GLU 41 -1.189 3.203 22.898 339 HG2 GLU 41 HG2 GLU 41 0.150 4.291 25.362 340 HG3 GLU 41 HG1 GLU 41 -1.543 3.903 25.099 341 H LYS 42 HN LYS 42 1.996 4.672 21.913 342 HA LYS 42 HA LYS 42 1.436 4.587 19.150 343 HB2 LYS 42 HB2 LYS 42 2.375 6.605 20.283 344 HB3 LYS 42 HB1 LYS 42 3.896 5.755 20.528 345 HG2 LYS 42 HG2 LYS 42 3.663 5.542 17.799 346 HG3 LYS 42 HG1 LYS 42 2.814 7.062 18.066 347 HD2 LYS 42 HD2 LYS 42 5.655 6.417 18.933 348 HD3 LYS 42 HD1 LYS 42 5.196 7.437 17.570 349 HE2 LYS 42 HE2 LYS 42 4.199 9.063 19.101 350 HE3 LYS 42 HE1 LYS 42 4.565 8.025 20.481 351 HZ1 LYS 42 HZ1 LYS 42 6.179 9.767 20.259 352 HZ2 LYS 42 HZ2 LYS 42 6.550 9.289 18.683 353 HZ3 LYS 42 HZ3 LYS 42 6.919 8.271 19.986 354 H ALA 43 HN ALA 43 4.326 3.503 20.922 355 HA ALA 43 HA ALA 43 5.884 2.449 18.892 356 HB1 ALA 43 HB1 ALA 43 6.701 2.753 21.199 357 HB2 ALA 43 HB2 ALA 43 7.067 1.135 20.597 358 HB3 ALA 43 HB3 ALA 43 5.732 1.381 21.729 359 H THR 44 HN THR 44 3.472 0.669 20.817 360 HA THR 44 HA THR 44 3.618 -1.827 19.573 361 HB THR 44 HB THR 44 1.224 -0.548 20.974 362 HG1 THR 44 HG1 THR 44 2.375 -0.703 22.732 363 HG21 THR 44 HG21 THR 44 0.573 -2.860 21.565 364 HG22 THR 44 HG22 THR 44 1.946 -3.489 20.656 365 HG23 THR 44 HG23 THR 44 0.634 -2.663 19.815 366 H LEU 45 HN LEU 45 1.363 0.895 19.055 367 HA LEU 45 HA LEU 45 -0.006 -0.106 16.855 368 HB2 LEU 45 HB2 LEU 45 0.673 2.715 17.602 369 HB3 LEU 45 HB1 LEU 45 0.100 2.430 15.966 370 HG LEU 45 HG LEU 45 -1.417 1.890 18.541 371 HD11 LEU 45 HD11 LEU 45 -1.408 4.219 17.841 372 HD12 LEU 45 HD12 LEU 45 -3.011 3.518 17.646 373 HD13 LEU 45 HD13 LEU 45 -1.980 3.766 16.234 374 HD21 LEU 45 HD21 LEU 45 -2.251 1.176 15.709 375 HD22 LEU 45 HD22 LEU 45 -3.300 1.119 17.130 376 HD23 LEU 45 HD23 LEU 45 -1.909 0.045 17.020 377 H GLU 46 HN GLU 46 3.091 1.693 16.714 378 HA GLU 46 HA GLU 46 3.542 1.481 13.972 379 HB2 GLU 46 HB2 GLU 46 5.543 1.793 16.241 380 HB3 GLU 46 HB1 GLU 46 5.880 2.100 14.534 381 HG2 GLU 46 HG2 GLU 46 4.139 3.871 14.553 382 HG3 GLU 46 HG1 GLU 46 3.906 3.606 16.274 383 H ALA 47 HN ALA 47 4.019 -0.838 16.536 384 HA ALA 47 HA ALA 47 6.066 -2.429 15.208 385 HB1 ALA 47 HB1 ALA 47 4.424 -3.003 17.706 386 HB2 ALA 47 HB2 ALA 47 6.032 -2.276 17.673 387 HB3 ALA 47 HB3 ALA 47 5.807 -3.949 17.152 388 H GLU 48 HN GLU 48 2.714 -2.836 16.165 389 HA GLU 48 HA GLU 48 1.808 -5.038 14.843 390 HB2 GLU 48 HB2 GLU 48 0.535 -3.653 16.502 391 HB3 GLU 48 HB1 GLU 48 0.410 -2.368 15.315 392 HG2 GLU 48 HG2 GLU 48 -1.687 -3.347 15.237 393 HG3 GLU 48 HG1 GLU 48 -0.862 -4.071 13.861 394 H ILE 49 HN ILE 49 1.451 -1.725 13.740 395 HA ILE 49 HA ILE 49 0.289 -2.420 11.270 396 HB ILE 49 HB ILE 49 0.423 -0.150 10.486 397 HG12 ILE 49 HG12 ILE 49 2.357 0.382 12.788 398 HG13 ILE 49 HG11 ILE 49 2.702 0.499 11.065 399 HG21 ILE 49 HG21 ILE 49 -0.234 -0.212 13.447 400 HG22 ILE 49 HG22 ILE 49 -1.313 -0.672 12.130 401 HG23 ILE 49 HG23 ILE 49 -0.795 1.006 12.299 402 HD11 ILE 49 HD11 ILE 49 0.857 2.293 12.628 403 HD12 ILE 49 HD12 ILE 49 1.203 2.423 10.902 404 HD13 ILE 49 HD13 ILE 49 2.486 2.683 12.083 405 H ALA 50 HN ALA 50 3.758 -1.394 11.865 406 HA ALA 50 HA ALA 50 4.720 -1.961 9.340 407 HB1 ALA 50 HB1 ALA 50 6.166 -2.225 11.990 408 HB2 ALA 50 HB2 ALA 50 5.951 -0.733 11.068 409 HB3 ALA 50 HB3 ALA 50 6.920 -2.055 10.407 410 H ARG 51 HN ARG 51 4.293 -4.246 12.085 411 HA ARG 51 HA ARG 51 5.470 -6.512 10.971 412 HB2 ARG 51 HB2 ARG 51 4.539 -6.298 13.352 413 HB3 ARG 51 HB1 ARG 51 2.945 -6.599 12.683 414 HG2 ARG 51 HG2 ARG 51 3.781 -8.671 13.600 415 HG3 ARG 51 HG1 ARG 51 3.770 -8.819 11.839 416 HD2 ARG 51 HD2 ARG 51 6.189 -8.292 11.784 417 HD3 ARG 51 HD1 ARG 51 6.200 -8.170 13.545 418 HE ARG 51 HE ARG 51 5.226 -10.697 12.969 419 HH11 ARG 51 HH11 ARG 51 8.213 -8.947 12.298 420 HH12 ARG 51 HH12 ARG 51 9.196 -10.377 12.382 421 HH21 ARG 51 HH21 ARG 51 6.544 -12.559 13.015 422 HH22 ARG 51 HH22 ARG 51 8.253 -12.407 12.748 423 H LEU 52 HN LEU 52 2.083 -5.624 10.897 424 HA LEU 52 HA LEU 52 0.962 -7.369 9.089 425 HB2 LEU 52 HB2 LEU 52 0.342 -4.489 9.738 426 HB3 LEU 52 HB1 LEU 52 -0.449 -5.181 8.338 427 HG LEU 52 HG LEU 52 -1.892 -5.240 10.346 428 HD11 LEU 52 HD11 LEU 52 -2.617 -7.561 10.212 429 HD12 LEU 52 HD12 LEU 52 -1.097 -8.021 9.440 430 HD13 LEU 52 HD13 LEU 52 -2.217 -6.939 8.610 431 HD21 LEU 52 HD21 LEU 52 -1.400 -6.743 12.225 432 HD22 LEU 52 HD22 LEU 52 -0.209 -5.454 12.087 433 HD23 LEU 52 HD23 LEU 52 0.192 -7.085 11.543 434 H ARG 53 HN ARG 53 2.705 -4.331 8.325 435 HA ARG 53 HA ARG 53 2.553 -4.780 5.479 436 HB2 ARG 53 HB2 ARG 53 3.880 -2.610 7.144 437 HB3 ARG 53 HB1 ARG 53 3.759 -2.592 5.387 438 HG2 ARG 53 HG2 ARG 53 1.339 -2.407 5.491 439 HG3 ARG 53 HG1 ARG 53 1.338 -2.584 7.246 440 HD2 ARG 53 HD2 ARG 53 1.075 -0.235 6.659 441 HD3 ARG 53 HD1 ARG 53 2.656 -0.461 7.427 442 HE ARG 53 HE ARG 53 2.182 -0.157 4.509 443 HH11 ARG 53 HH11 ARG 53 4.300 0.314 7.258 444 HH12 ARG 53 HH12 ARG 53 5.533 1.082 6.312 445 HH21 ARG 53 HH21 ARG 53 3.800 0.826 3.286 446 HH22 ARG 53 HH22 ARG 53 5.253 1.376 4.067 447 H GLU 54 HN GLU 54 4.802 -5.904 7.862 448 HA GLU 54 HA GLU 54 7.029 -5.977 5.919 449 HB2 GLU 54 HB2 GLU 54 8.511 -6.681 7.600 450 HB3 GLU 54 HB1 GLU 54 7.472 -5.542 8.438 451 HG2 GLU 54 HG2 GLU 54 6.304 -7.305 9.574 452 HG3 GLU 54 HG1 GLU 54 7.046 -8.542 8.566 453 H VAL 55 HN VAL 55 4.810 -8.095 7.615 454 HA VAL 55 HA VAL 55 5.326 -10.470 6.186 455 HB VAL 55 HB VAL 55 2.550 -9.506 7.051 456 HG11 VAL 55 HG11 VAL 55 3.599 -12.319 6.537 457 HG12 VAL 55 HG12 VAL 55 2.494 -11.424 5.489 458 HG13 VAL 55 HG13 VAL 55 1.972 -11.918 7.102 459 HG21 VAL 55 HG21 VAL 55 2.908 -10.763 9.151 460 HG22 VAL 55 HG22 VAL 55 4.121 -9.499 8.973 461 HG23 VAL 55 HG23 VAL 55 4.546 -11.175 8.644 462 H HIS 56 HN HIS 56 3.155 -7.628 5.382 463 HA HIS 56 HA HIS 56 3.089 -8.373 2.609 464 HB2 HIS 56 HB2 HIS 56 2.174 -5.887 4.108 465 HB3 HIS 56 HB1 HIS 56 1.892 -6.159 2.394 466 HD1 HIS 56 HD1 HIS 56 -0.667 -5.876 3.107 467 HD2 HIS 56 HD2 HIS 56 1.186 -9.321 4.525 468 HE1 HIS 56 HE1 HIS 56 -2.530 -7.376 3.862 469 HE2 HIS 56 HE2 HIS 56 -1.371 -9.353 4.900 470 H SER 57 HN SER 57 5.887 -7.776 3.736 471 HA SER 57 HA SER 57 6.672 -5.929 1.538 472 HB2 SER 57 HB2 SER 57 7.013 -4.706 3.683 473 HB3 SER 57 HB1 SER 57 8.043 -6.013 4.262 474 HG SER 57 HG SER 57 8.535 -4.371 1.988 475 H GLN 58 HN GLN 58 8.052 -8.298 3.855 476 HA GLN 58 HA GLN 58 9.875 -9.559 2.140 477 HB2 GLN 58 HB2 GLN 58 8.177 -10.918 4.274 478 HB3 GLN 58 HB1 GLN 58 9.721 -11.487 3.644 479 HG2 GLN 58 HG2 GLN 58 10.888 -9.632 4.713 480 HG3 GLN 58 HG1 GLN 58 9.350 -8.933 5.237 481 HE21 GLN 58 HE21 GLN 58 9.693 -9.055 7.423 482 HE22 GLN 58 HE22 GLN 58 9.847 -10.540 8.287 483 H LYS 59 HN LYS 59 6.399 -10.088 2.656 484 HA LYS 59 HA LYS 59 6.245 -11.163 -0.093 485 HB2 LYS 59 HB2 LYS 59 4.347 -11.503 2.263 486 HB3 LYS 59 HB1 LYS 59 3.786 -11.716 0.619 487 HG2 LYS 59 HG2 LYS 59 4.237 -13.866 1.626 488 HG3 LYS 59 HG1 LYS 59 5.361 -13.574 0.301 489 HD2 LYS 59 HD2 LYS 59 6.471 -14.646 2.206 490 HD3 LYS 59 HD1 LYS 59 7.141 -13.048 1.898 491 HE2 LYS 59 HE2 LYS 59 5.810 -12.134 3.778 492 HE3 LYS 59 HE1 LYS 59 5.154 -13.745 4.092 493 HZ1 LYS 59 HZ1 LYS 59 7.358 -14.524 4.594 494 HZ2 LYS 59 HZ2 LYS 59 7.019 -13.172 5.544 495 HZ3 LYS 59 HZ3 LYS 59 8.034 -13.027 4.201 496 H LEU 60 HN LEU 60 6.786 -8.824 -0.561 497 HA LEU 60 HA LEU 60 5.075 -6.646 -0.017 498 HB2 LEU 60 HB2 LEU 60 7.483 -6.683 -1.067 499 HB3 LEU 60 HB1 LEU 60 6.664 -6.873 -2.599 500 HG LEU 60 HG LEU 60 6.556 -4.450 -0.743 501 HD11 LEU 60 HD11 LEU 60 7.619 -3.252 -2.603 502 HD12 LEU 60 HD12 LEU 60 7.649 -4.737 -3.557 503 HD13 LEU 60 HD13 LEU 60 8.601 -4.616 -2.073 504 HD21 LEU 60 HD21 LEU 60 4.316 -4.677 -1.728 505 HD22 LEU 60 HD22 LEU 60 5.017 -4.779 -3.345 506 HD23 LEU 60 HD23 LEU 60 5.156 -3.286 -2.410 507 H SER 61 HN SER 61 2.942 -7.214 -0.288 508 HA SER 61 HA SER 61 0.924 -7.470 -1.258 509 HB2 SER 61 HB2 SER 61 1.613 -5.448 -2.534 510 HB3 SER 61 HB1 SER 61 2.324 -6.469 -3.778 511 HG SER 61 HG SER 61 -0.109 -5.586 -3.710 512 H LYS 62 HN LYS 62 -0.380 -8.908 -2.645 513 HA LYS 62 HA LYS 62 0.828 -11.450 -3.140 514 HB2 LYS 62 HB2 LYS 62 -1.881 -10.450 -4.122 515 HB3 LYS 62 HB1 LYS 62 -1.354 -12.130 -4.051 516 HG2 LYS 62 HG2 LYS 62 -1.230 -11.984 -1.587 517 HG3 LYS 62 HG1 LYS 62 -1.778 -10.307 -1.664 518 HD2 LYS 62 HD2 LYS 62 -3.918 -11.035 -2.638 519 HD3 LYS 62 HD1 LYS 62 -3.371 -12.714 -2.635 520 HE2 LYS 62 HE2 LYS 62 -4.860 -12.331 -0.752 521 HE3 LYS 62 HE1 LYS 62 -3.230 -12.626 -0.146 522 HZ1 LYS 62 HZ1 LYS 62 -4.561 -9.985 -0.421 523 HZ2 LYS 62 HZ2 LYS 62 -2.964 -10.215 0.084 524 HZ3 LYS 62 HZ3 LYS 62 -4.238 -10.813 1.021 525 H GLU 63 HN GLU 63 -0.916 -9.518 -5.432 526 HA GLU 63 HA GLU 63 -0.075 -10.190 -7.904 527 HB2 GLU 63 HB2 GLU 63 -1.767 -8.441 -7.428 528 HB3 GLU 63 HB1 GLU 63 -0.497 -7.317 -6.978 529 HG2 GLU 63 HG2 GLU 63 -1.403 -6.895 -9.247 530 HG3 GLU 63 HG1 GLU 63 0.328 -7.243 -9.256 531 H ALA 64 HN ALA 64 1.697 -7.647 -5.992 532 HA ALA 64 HA ALA 64 3.799 -7.208 -7.862 533 HB1 ALA 64 HB1 ALA 64 3.878 -6.824 -4.854 534 HB2 ALA 64 HB2 ALA 64 3.325 -5.640 -6.036 535 HB3 ALA 64 HB3 ALA 64 5.016 -6.149 -6.020 536 H GLN 65 HN GLN 65 3.732 -9.294 -4.886 537 HA GLN 65 HA GLN 65 6.307 -10.482 -5.148 538 HB2 GLN 65 HB2 GLN 65 3.750 -11.589 -3.971 539 HB3 GLN 65 HB1 GLN 65 5.178 -12.612 -4.097 540 HG2 GLN 65 HG2 GLN 65 4.931 -10.040 -2.541 541 HG3 GLN 65 HG1 GLN 65 5.029 -11.671 -1.889 542 HE21 GLN 65 HE21 GLN 65 6.809 -8.972 -3.081 543 HE22 GLN 65 HE22 GLN 65 8.394 -9.619 -2.838 544 H LYS 66 HN LYS 66 3.309 -11.254 -6.917 545 HA LYS 66 HA LYS 66 4.285 -13.604 -8.214 546 HB2 LYS 66 HB2 LYS 66 1.887 -13.300 -7.990 547 HB3 LYS 66 HB1 LYS 66 1.949 -11.762 -8.847 548 HG2 LYS 66 HG2 LYS 66 2.576 -12.925 -10.932 549 HG3 LYS 66 HG1 LYS 66 2.565 -14.469 -10.091 550 HD2 LYS 66 HD2 LYS 66 0.472 -14.228 -11.331 551 HD3 LYS 66 HD1 LYS 66 0.122 -14.140 -9.600 552 HE2 LYS 66 HE2 LYS 66 0.138 -11.636 -9.783 553 HE3 LYS 66 HE1 LYS 66 0.325 -11.803 -11.529 554 HZ1 LYS 66 HZ1 LYS 66 -1.965 -11.425 -10.855 555 HZ2 LYS 66 HZ2 LYS 66 -1.949 -12.846 -9.938 556 HZ3 LYS 66 HZ3 LYS 66 -1.792 -12.925 -11.620 557 H LEU 67 HN LEU 67 3.805 -10.281 -9.282 558 HA LEU 67 HA LEU 67 5.018 -10.241 -11.761 559 HB2 LEU 67 HB2 LEU 67 5.462 -8.089 -9.652 560 HB3 LEU 67 HB1 LEU 67 5.752 -7.888 -11.372 561 HG LEU 67 HG LEU 67 3.039 -8.321 -10.057 562 HD11 LEU 67 HD11 LEU 67 4.163 -5.847 -11.409 563 HD12 LEU 67 HD12 LEU 67 3.914 -6.064 -9.674 564 HD13 LEU 67 HD13 LEU 67 2.529 -6.028 -10.762 565 HD21 LEU 67 HD21 LEU 67 2.033 -7.979 -12.259 566 HD22 LEU 67 HD22 LEU 67 3.086 -9.390 -12.274 567 HD23 LEU 67 HD23 LEU 67 3.635 -7.876 -13.000 568 H MET 68 HN MET 68 6.613 -10.307 -8.689 569 HA MET 68 HA MET 68 9.344 -10.243 -9.612 570 HB2 MET 68 HB2 MET 68 8.253 -11.173 -6.924 571 HB3 MET 68 HB1 MET 68 9.941 -10.797 -7.268 572 HG2 MET 68 HG2 MET 68 9.396 -8.467 -7.619 573 HG3 MET 68 HG1 MET 68 7.673 -8.799 -7.484 574 HE1 MET 68 HE1 MET 68 8.143 -6.772 -4.229 575 HE2 MET 68 HE2 MET 68 7.188 -6.997 -5.693 576 HE3 MET 68 HE3 MET 68 8.860 -6.445 -5.809 577 H LYS 69 HN LYS 69 7.065 -12.821 -8.935 578 HA LYS 69 HA LYS 69 9.036 -14.851 -9.933 579 HB2 LYS 69 HB2 LYS 69 7.784 -16.583 -8.787 580 HB3 LYS 69 HB1 LYS 69 8.153 -15.289 -7.652 581 HG2 LYS 69 HG2 LYS 69 5.856 -14.455 -7.820 582 HG3 LYS 69 HG1 LYS 69 5.475 -15.686 -9.025 583 HD2 LYS 69 HD2 LYS 69 5.880 -17.451 -7.337 584 HD3 LYS 69 HD1 LYS 69 6.252 -16.216 -6.131 585 HE2 LYS 69 HE2 LYS 69 3.951 -15.351 -6.300 586 HE3 LYS 69 HE1 LYS 69 3.583 -16.546 -7.545 587 HZ1 LYS 69 HZ1 LYS 69 4.050 -18.283 -5.909 588 HZ2 LYS 69 HZ2 LYS 69 2.770 -17.292 -5.438 589 HZ3 LYS 69 HZ3 LYS 69 4.287 -17.104 -4.720 590 H MET 70 HN MET 70 7.269 -13.067 -11.650 591 HA MET 70 HA MET 70 5.157 -14.576 -12.813 592 HB2 MET 70 HB2 MET 70 6.574 -12.031 -13.503 593 HB3 MET 70 HB1 MET 70 5.855 -12.858 -14.882 594 HG2 MET 70 HG2 MET 70 4.326 -12.072 -12.392 595 HG3 MET 70 HG1 MET 70 4.415 -11.105 -13.863 596 HE1 MET 70 HE1 MET 70 1.944 -10.954 -14.525 597 HE2 MET 70 HE2 MET 70 1.566 -11.620 -12.932 598 HE3 MET 70 HE3 MET 70 0.798 -12.290 -14.371 599 HA PRO 71 HA PRO 71 7.425 -17.173 -15.659 600 HB2 PRO 71 HB2 PRO 71 5.556 -17.618 -17.621 601 HB3 PRO 71 HB1 PRO 71 5.537 -18.443 -16.055 602 HG2 PRO 71 HG2 PRO 71 3.906 -16.117 -17.004 603 HG3 PRO 71 HG1 PRO 71 3.429 -17.476 -15.965 604 HD2 PRO 71 HD2 PRO 71 4.051 -14.961 -15.014 605 HD3 PRO 71 HD1 PRO 71 4.204 -16.442 -14.053 606 H PHE 72 HN PHE 72 5.421 -14.989 -17.804 607 HA PHE 72 HA PHE 72 7.823 -14.752 -19.523 608 HB2 PHE 72 HB2 PHE 72 4.850 -14.383 -20.165 609 HB3 PHE 72 HB1 PHE 72 6.163 -14.136 -21.311 610 HD1 PHE 72 HD1 PHE 72 7.562 -16.086 -22.056 611 HD2 PHE 72 HD2 PHE 72 4.060 -16.599 -19.659 612 HE1 PHE 72 HE1 PHE 72 7.494 -18.471 -22.665 613 HE2 PHE 72 HE2 PHE 72 4.000 -18.980 -20.282 614 HZ PHE 72 HZ PHE 72 5.707 -19.918 -21.777 615 H GLN 73 HN GLN 73 8.831 -12.785 -19.132 616 HA GLN 73 HA GLN 73 7.258 -10.341 -18.753 617 HB2 GLN 73 HB2 GLN 73 8.202 -9.688 -16.646 618 HB3 GLN 73 HB1 GLN 73 7.584 -11.315 -16.428 619 HG2 GLN 73 HG2 GLN 73 10.512 -10.640 -16.875 620 HG3 GLN 73 HG1 GLN 73 9.773 -10.875 -15.294 621 HE21 GLN 73 HE21 GLN 73 9.147 -12.951 -14.673 622 HE22 GLN 73 HE22 GLN 73 9.739 -14.367 -15.458 623 H ARG 74 HN ARG 74 8.640 -8.378 -18.739 624 HA ARG 74 HA ARG 74 11.460 -8.423 -19.079 625 HB2 ARG 74 HB2 ARG 74 11.573 -7.533 -21.391 626 HB3 ARG 74 HB1 ARG 74 10.880 -9.151 -21.379 627 HG2 ARG 74 HG2 ARG 74 8.623 -8.208 -21.630 628 HG3 ARG 74 HG1 ARG 74 9.285 -6.572 -21.593 629 HD2 ARG 74 HD2 ARG 74 10.483 -6.970 -23.680 630 HD3 ARG 74 HD1 ARG 74 9.965 -8.656 -23.685 631 HE ARG 74 HE ARG 74 7.640 -7.226 -23.607 632 HH11 ARG 74 HH11 ARG 74 10.354 -7.172 -25.818 633 HH12 ARG 74 HH12 ARG 74 9.370 -6.842 -27.206 634 HH21 ARG 74 HH21 ARG 74 6.364 -6.824 -25.445 635 HH22 ARG 74 HH22 ARG 74 7.126 -6.612 -26.985 636 H ALA 75 HN ALA 75 12.140 -6.089 -19.826 637 HA ALA 75 HA ALA 75 10.360 -4.023 -18.676 638 HB1 ALA 75 HB1 ALA 75 12.251 -2.481 -18.921 639 HB2 ALA 75 HB2 ALA 75 13.186 -3.726 -19.754 640 HB3 ALA 75 HB3 ALA 75 12.753 -3.940 -18.059 641 H ILE 76 HN ILE 76 8.949 -2.753 -20.058 642 HA ILE 76 HA ILE 76 8.955 -3.268 -22.767 643 HB ILE 76 HB ILE 76 7.615 -1.055 -21.149 644 HG12 ILE 76 HG12 ILE 76 7.052 -3.241 -20.203 645 HG13 ILE 76 HG11 ILE 76 5.642 -2.619 -21.046 646 HG21 ILE 76 HG21 ILE 76 7.499 -0.570 -23.549 647 HG22 ILE 76 HG22 ILE 76 5.906 -0.968 -22.903 648 HG23 ILE 76 HG23 ILE 76 6.796 -2.166 -23.848 649 HD11 ILE 76 HD11 ILE 76 7.531 -4.743 -22.083 650 HD12 ILE 76 HD12 ILE 76 6.106 -4.131 -22.925 651 HD13 ILE 76 HD13 ILE 76 5.923 -5.007 -21.407 652 H THR 77 HN THR 77 10.480 -2.610 -24.181 653 HA THR 77 HA THR 77 12.192 -0.348 -23.931 654 HB THR 77 HB THR 77 12.835 -0.930 -26.321 655 HG1 THR 77 HG1 THR 77 11.484 -2.131 -27.408 656 HG21 THR 77 HG21 THR 77 12.800 -3.268 -24.371 657 HG22 THR 77 HG22 THR 77 14.018 -1.990 -24.419 658 HG23 THR 77 HG23 THR 77 13.859 -3.110 -25.774 659 H LYS 78 HN LYS 78 12.310 0.832 -26.463 660 HA LYS 78 HA LYS 78 10.433 2.943 -25.814 661 HB2 LYS 78 HB2 LYS 78 12.793 2.804 -27.721 662 HB3 LYS 78 HB1 LYS 78 11.857 4.270 -27.424 663 HG2 LYS 78 HG2 LYS 78 12.492 4.211 -25.053 664 HG3 LYS 78 HG1 LYS 78 13.388 2.720 -25.318 665 HD2 LYS 78 HD2 LYS 78 14.962 4.564 -25.224 666 HD3 LYS 78 HD1 LYS 78 14.911 3.963 -26.880 667 HE2 LYS 78 HE2 LYS 78 13.255 6.335 -26.005 668 HE3 LYS 78 HE1 LYS 78 14.927 6.524 -26.520 669 HZ1 LYS 78 HZ1 LYS 78 14.301 5.544 -28.659 670 HZ2 LYS 78 HZ2 LYS 78 13.428 6.953 -28.329 671 HZ3 LYS 78 HZ3 LYS 78 12.693 5.445 -28.150 672 H LYS 79 HN LYS 79 10.908 0.708 -28.738 673 HA LYS 79 HA LYS 79 8.712 1.863 -29.954 674 HB2 LYS 79 HB2 LYS 79 10.052 -0.837 -30.346 675 HB3 LYS 79 HB1 LYS 79 8.899 -0.107 -31.464 676 HG2 LYS 79 HG2 LYS 79 10.443 1.752 -31.885 677 HG3 LYS 79 HG1 LYS 79 11.596 1.083 -30.722 678 HD2 LYS 79 HD2 LYS 79 11.822 -0.942 -32.140 679 HD3 LYS 79 HD1 LYS 79 10.688 -0.247 -33.300 680 HE2 LYS 79 HE2 LYS 79 12.265 1.642 -33.684 681 HE3 LYS 79 HE1 LYS 79 13.401 0.910 -32.549 682 HZ1 LYS 79 HZ1 LYS 79 13.621 -0.971 -34.007 683 HZ2 LYS 79 HZ2 LYS 79 13.943 0.447 -34.871 684 HZ3 LYS 79 HZ3 LYS 79 12.465 -0.346 -35.065 685 H GLU 80 HN GLU 80 8.691 -0.222 -27.229 686 HA GLU 80 HA GLU 80 6.189 -1.524 -28.061 687 HB2 GLU 80 HB2 GLU 80 7.987 -2.041 -25.642 688 HB3 GLU 80 HB1 GLU 80 6.514 -2.925 -26.028 689 HG2 GLU 80 HG2 GLU 80 9.080 -2.905 -27.653 690 HG3 GLU 80 HG1 GLU 80 8.503 -4.217 -26.623 691 H GLN 81 HN GLN 81 7.720 0.929 -26.365 692 HA GLN 81 HA GLN 81 5.540 1.803 -24.667 693 HB2 GLN 81 HB2 GLN 81 8.258 2.985 -25.326 694 HB3 GLN 81 HB1 GLN 81 7.035 3.937 -24.479 695 HG2 GLN 81 HG2 GLN 81 6.969 2.133 -22.719 696 HG3 GLN 81 HG1 GLN 81 8.337 1.372 -23.535 697 HE21 GLN 81 HE21 GLN 81 9.667 1.652 -21.733 698 HE22 GLN 81 HE22 GLN 81 10.297 3.191 -21.283 699 H ALA 82 HN ALA 82 6.929 2.626 -27.875 700 HA ALA 82 HA ALA 82 5.096 4.846 -28.277 701 HB1 ALA 82 HB1 ALA 82 6.110 4.973 -30.521 702 HB2 ALA 82 HB2 ALA 82 6.995 3.476 -30.218 703 HB3 ALA 82 HB3 ALA 82 7.352 4.918 -29.268 704 H ASP 83 HN ASP 83 5.135 1.413 -28.753 705 HA ASP 83 HA ASP 83 2.521 1.541 -30.143 706 HB2 ASP 83 HB2 ASP 83 4.695 -0.590 -30.412 707 HB3 ASP 83 HB1 ASP 83 3.066 -0.757 -31.065 708 H MET 84 HN MET 84 2.105 1.878 -27.725 709 HA MET 84 HA MET 84 2.038 -0.332 -25.939 710 HB2 MET 84 HB2 MET 84 1.866 2.112 -25.314 711 HB3 MET 84 HB1 MET 84 0.247 2.130 -25.984 712 HG2 MET 84 HG2 MET 84 -0.384 1.778 -23.835 713 HG3 MET 84 HG1 MET 84 0.016 0.098 -24.166 714 HE1 MET 84 HE1 MET 84 2.310 -1.079 -23.255 715 HE2 MET 84 HE2 MET 84 3.593 -0.168 -22.458 716 HE3 MET 84 HE3 MET 84 3.250 0.106 -24.167 717 H GLY 85 HN GLY 85 0.029 0.715 -28.509 718 HA2 GLY 85 HA2 GLY 85 -2.439 -0.636 -27.799 719 HA3 GLY 85 HA1 GLY 85 -2.061 0.091 -29.357 720 H LYS 86 HN LYS 86 -0.050 -1.135 -30.375 721 HA LYS 86 HA LYS 86 -0.836 -3.656 -31.259 722 HB2 LYS 86 HB2 LYS 86 0.627 -2.131 -32.515 723 HB3 LYS 86 HB1 LYS 86 1.896 -2.301 -31.320 724 HG2 LYS 86 HG2 LYS 86 0.960 -4.756 -32.799 725 HG3 LYS 86 HG1 LYS 86 1.976 -3.594 -33.644 726 HD2 LYS 86 HD2 LYS 86 2.702 -5.006 -31.053 727 HD3 LYS 86 HD1 LYS 86 3.295 -5.446 -32.657 728 HE2 LYS 86 HE2 LYS 86 4.384 -3.206 -32.835 729 HE3 LYS 86 HE1 LYS 86 3.817 -2.818 -31.208 730 HZ1 LYS 86 HZ1 LYS 86 6.101 -3.562 -31.175 731 HZ2 LYS 86 HZ2 LYS 86 5.677 -5.016 -31.925 732 HZ3 LYS 86 HZ3 LYS 86 5.121 -4.679 -30.367 733 H LEU 87 HN LEU 87 1.738 -2.818 -28.998 734 HA LEU 87 HA LEU 87 2.601 -5.249 -28.100 735 HB2 LEU 87 HB2 LEU 87 3.572 -3.145 -27.337 736 HB3 LEU 87 HB1 LEU 87 2.119 -2.771 -26.425 737 HG LEU 87 HG LEU 87 2.568 -4.680 -24.919 738 HD11 LEU 87 HD11 LEU 87 4.709 -5.870 -24.950 739 HD12 LEU 87 HD12 LEU 87 5.138 -5.071 -26.463 740 HD13 LEU 87 HD13 LEU 87 3.762 -6.181 -26.408 741 HD21 LEU 87 HD21 LEU 87 3.373 -2.465 -24.292 742 HD22 LEU 87 HD22 LEU 87 4.900 -2.763 -25.122 743 HD23 LEU 87 HD23 LEU 87 4.461 -3.716 -23.702 744 H LYS 88 HN LYS 88 -0.156 -3.495 -26.546 745 HA LYS 88 HA LYS 88 -0.682 -5.593 -24.693 746 HB2 LYS 88 HB2 LYS 88 -2.155 -3.047 -25.405 747 HB3 LYS 88 HB1 LYS 88 -2.740 -4.144 -24.156 748 HG2 LYS 88 HG2 LYS 88 -0.539 -3.871 -22.971 749 HG3 LYS 88 HG1 LYS 88 -0.096 -2.649 -24.176 750 HD2 LYS 88 HD2 LYS 88 -1.900 -1.207 -23.471 751 HD3 LYS 88 HD1 LYS 88 -2.564 -2.456 -22.409 752 HE2 LYS 88 HE2 LYS 88 -0.589 -2.326 -20.980 753 HE3 LYS 88 HE1 LYS 88 0.148 -1.136 -22.062 754 HZ1 LYS 88 HZ1 LYS 88 -1.690 0.367 -21.573 755 HZ2 LYS 88 HZ2 LYS 88 -0.861 -0.065 -20.169 756 HZ3 LYS 88 HZ3 LYS 88 -2.355 -0.766 -20.514 757 H LYS 89 HN LYS 89 -1.906 -5.133 -27.921 758 HA LYS 89 HA LYS 89 -4.529 -6.201 -27.407 759 HB2 LYS 89 HB2 LYS 89 -4.819 -6.346 -29.911 760 HB3 LYS 89 HB1 LYS 89 -4.436 -4.757 -29.289 761 HG2 LYS 89 HG2 LYS 89 -3.133 -4.806 -31.195 762 HG3 LYS 89 HG1 LYS 89 -1.975 -5.335 -29.977 763 HD2 LYS 89 HD2 LYS 89 -2.395 -7.699 -30.662 764 HD3 LYS 89 HD1 LYS 89 -3.482 -7.119 -31.927 765 HE2 LYS 89 HE2 LYS 89 -1.612 -5.945 -33.009 766 HE3 LYS 89 HE1 LYS 89 -0.530 -6.430 -31.703 767 HZ1 LYS 89 HZ1 LYS 89 -1.888 -8.240 -33.617 768 HZ2 LYS 89 HZ2 LYS 89 -0.934 -8.746 -32.320 769 HZ3 LYS 89 HZ3 LYS 89 -0.238 -7.864 -33.583 770 H SER 90 HN SER 90 -1.566 -7.633 -28.769 771 HA SER 90 HA SER 90 -2.486 -10.230 -29.284 772 HB2 SER 90 HB2 SER 90 0.296 -9.239 -28.501 773 HB3 SER 90 HB1 SER 90 -0.036 -10.814 -29.216 774 HG SER 90 HG SER 90 0.612 -9.211 -30.758 775 H VAL 91 HN VAL 91 -0.770 -8.936 -26.426 776 HA VAL 91 HA VAL 91 -0.485 -11.464 -25.140 777 HB VAL 91 HB VAL 91 -0.312 -8.854 -23.602 778 HG11 VAL 91 HG11 VAL 91 1.541 -9.978 -22.420 779 HG12 VAL 91 HG12 VAL 91 1.371 -11.383 -23.474 780 HG13 VAL 91 HG13 VAL 91 0.071 -10.954 -22.365 781 HG21 VAL 91 HG21 VAL 91 1.806 -9.812 -25.537 782 HG22 VAL 91 HG22 VAL 91 1.976 -8.469 -24.400 783 HG23 VAL 91 HG23 VAL 91 0.803 -8.376 -25.716 784 H ARG 92 HN ARG 92 -2.683 -8.736 -24.676 785 HA ARG 92 HA ARG 92 -4.727 -8.461 -23.782 786 HB2 ARG 92 HB2 ARG 92 -5.296 -10.714 -24.707 787 HB3 ARG 92 HB1 ARG 92 -4.740 -11.448 -23.208 788 HG2 ARG 92 HG2 ARG 92 -6.540 -10.092 -22.007 789 HG3 ARG 92 HG1 ARG 92 -7.165 -9.662 -23.602 790 HD2 ARG 92 HD2 ARG 92 -8.429 -11.541 -22.728 791 HD3 ARG 92 HD1 ARG 92 -7.460 -12.093 -24.097 792 HE ARG 92 HE ARG 92 -5.830 -12.951 -22.389 793 HH11 ARG 92 HH11 ARG 92 -9.227 -12.634 -21.556 794 HH12 ARG 92 HH12 ARG 92 -9.137 -13.803 -20.279 795 HH21 ARG 92 HH21 ARG 92 -5.739 -14.472 -20.720 796 HH22 ARG 92 HH22 ARG 92 -7.166 -14.852 -19.814 797 H GLY 93 HN GLY 93 -3.296 -11.005 -21.668 798 HA2 GLY 93 HA2 GLY 93 -3.966 -9.549 -19.236 799 HA3 GLY 93 HA1 GLY 93 -3.216 -11.131 -19.352 800 H LEU 94 HN LEU 94 -1.757 -8.717 -21.206 801 HA LEU 94 HA LEU 94 0.690 -8.596 -19.810 802 HB2 LEU 94 HB2 LEU 94 0.540 -8.025 -22.169 803 HB3 LEU 94 HB1 LEU 94 -0.453 -6.627 -21.809 804 HG LEU 94 HG LEU 94 1.411 -5.495 -20.748 805 HD11 LEU 94 HD11 LEU 94 3.048 -8.009 -21.209 806 HD12 LEU 94 HD12 LEU 94 2.539 -7.356 -19.647 807 HD13 LEU 94 HD13 LEU 94 3.679 -6.457 -20.642 808 HD21 LEU 94 HD21 LEU 94 2.278 -6.705 -23.384 809 HD22 LEU 94 HD22 LEU 94 2.914 -5.225 -22.658 810 HD23 LEU 94 HD23 LEU 94 1.233 -5.295 -23.180 811 H VAL 95 HN VAL 95 1.292 -7.482 -18.200 812 HA VAL 95 HA VAL 95 -0.283 -5.324 -16.898 813 HB VAL 95 HB VAL 95 1.886 -7.100 -15.644 814 HG11 VAL 95 HG11 VAL 95 0.060 -5.058 -14.312 815 HG12 VAL 95 HG12 VAL 95 1.790 -4.868 -14.603 816 HG13 VAL 95 HG13 VAL 95 1.216 -6.103 -13.482 817 HG21 VAL 95 HG21 VAL 95 0.079 -8.198 -14.368 818 HG22 VAL 95 HG22 VAL 95 -0.135 -8.426 -16.104 819 HG23 VAL 95 HG23 VAL 95 -1.128 -7.246 -15.244 820 H VAL 96 HN VAL 96 0.749 -3.272 -17.046 821 HA VAL 96 HA VAL 96 3.615 -3.193 -17.802 822 HB VAL 96 HB VAL 96 1.431 -1.471 -19.089 823 HG11 VAL 96 HG11 VAL 96 3.242 -0.492 -20.450 824 HG12 VAL 96 HG12 VAL 96 4.437 -1.437 -19.561 825 HG13 VAL 96 HG13 VAL 96 3.503 -0.189 -18.733 826 HG21 VAL 96 HG21 VAL 96 3.204 -3.585 -20.369 827 HG22 VAL 96 HG22 VAL 96 2.051 -2.551 -21.219 828 HG23 VAL 96 HG23 VAL 96 1.476 -3.741 -20.050 829 H VAL 97 HN VAL 97 4.543 -2.220 -16.158 830 HA VAL 97 HA VAL 97 3.064 -0.369 -14.392 831 HB VAL 97 HB VAL 97 5.725 -1.767 -13.853 832 HG11 VAL 97 HG11 VAL 97 5.366 0.201 -12.440 833 HG12 VAL 97 HG12 VAL 97 5.260 -1.267 -11.469 834 HG13 VAL 97 HG13 VAL 97 3.788 -0.413 -11.939 835 HG21 VAL 97 HG21 VAL 97 2.959 -2.713 -12.986 836 HG22 VAL 97 HG22 VAL 97 4.494 -3.445 -12.511 837 HG23 VAL 97 HG23 VAL 97 3.984 -3.489 -14.199 838 H HIS 98 HN HIS 98 3.519 1.824 -14.657 839 HA HIS 98 HA HIS 98 5.830 2.672 -16.255 840 HB2 HIS 98 HB2 HIS 98 3.476 3.490 -16.754 841 HB3 HIS 98 HB1 HIS 98 3.433 4.234 -15.171 842 HD2 HIS 98 HD2 HIS 98 4.226 5.174 -18.712 843 HE1 HIS 98 HE1 HIS 98 6.250 7.981 -16.296 844 HE2 HIS 98 HE2 HIS 98 5.408 7.468 -18.626 845 HA PRO 99 HA PRO 99 8.091 3.568 -12.478 846 HB2 PRO 99 HB2 PRO 99 9.677 5.714 -13.252 847 HB3 PRO 99 HB1 PRO 99 9.996 4.029 -13.685 848 HG2 PRO 99 HG2 PRO 99 8.593 6.164 -15.292 849 HG3 PRO 99 HG1 PRO 99 9.847 5.013 -15.810 850 HD2 PRO 99 HD2 PRO 99 7.267 4.566 -16.371 851 HD3 PRO 99 HD1 PRO 99 8.333 3.219 -15.907 852 H MET 100 HN MET 100 6.218 6.200 -13.931 853 HA MET 100 HA MET 100 6.473 7.883 -11.531 854 HB2 MET 100 HB2 MET 100 5.038 8.452 -14.144 855 HB3 MET 100 HB1 MET 100 5.197 9.588 -12.810 856 HG2 MET 100 HG2 MET 100 7.719 9.329 -13.093 857 HG3 MET 100 HG1 MET 100 7.361 8.543 -14.630 858 HE1 MET 100 HE1 MET 100 5.306 11.517 -16.392 859 HE2 MET 100 HE2 MET 100 4.630 10.274 -15.335 860 HE3 MET 100 HE3 MET 100 5.814 9.836 -16.568 861 H THR 101 HN THR 101 4.433 5.401 -12.440 862 HA THR 101 HA THR 101 2.002 6.306 -11.159 863 HB THR 101 HB THR 101 1.301 3.915 -11.128 864 HG1 THR 101 HG1 THR 101 4.005 3.518 -11.578 865 HG21 THR 101 HG21 THR 101 1.355 3.505 -13.583 866 HG22 THR 101 HG22 THR 101 2.527 4.813 -13.761 867 HG23 THR 101 HG23 THR 101 0.894 5.165 -13.193 868 H ALA 102 HN ALA 102 1.125 4.920 -9.260 869 HA ALA 102 HA ALA 102 2.463 5.533 -6.917 870 HB1 ALA 102 HB1 ALA 102 0.822 4.079 -5.797 871 HB2 ALA 102 HB2 ALA 102 0.388 3.362 -7.352 872 HB3 ALA 102 HB3 ALA 102 0.051 5.066 -7.041 873 H LEU 103 HN LEU 103 2.061 2.153 -8.221 874 HA LEU 103 HA LEU 103 3.844 0.919 -6.407 875 HB2 LEU 103 HB2 LEU 103 1.864 -0.057 -7.772 876 HB3 LEU 103 HB1 LEU 103 2.933 -0.034 -9.152 877 HG LEU 103 HG LEU 103 4.478 -1.617 -8.006 878 HD11 LEU 103 HD11 LEU 103 3.782 -2.790 -5.960 879 HD12 LEU 103 HD12 LEU 103 2.375 -1.731 -5.815 880 HD13 LEU 103 HD13 LEU 103 4.007 -1.067 -5.665 881 HD21 LEU 103 HD21 LEU 103 2.756 -2.477 -9.543 882 HD22 LEU 103 HD22 LEU 103 1.620 -2.627 -8.202 883 HD23 LEU 103 HD23 LEU 103 3.077 -3.624 -8.241 884 H GLY 104 HN GLY 104 4.064 1.776 -9.844 885 HA2 GLY 104 HA2 GLY 104 6.539 1.450 -10.608 886 HA3 GLY 104 HA1 GLY 104 5.705 2.953 -10.976 887 H ARG 105 HN ARG 105 5.770 4.125 -8.233 888 HA ARG 105 HA ARG 105 8.562 4.877 -8.149 889 HB2 ARG 105 HB2 ARG 105 6.163 5.859 -6.535 890 HB3 ARG 105 HB1 ARG 105 7.785 6.553 -6.478 891 HG2 ARG 105 HG2 ARG 105 7.561 7.237 -8.843 892 HG3 ARG 105 HG1 ARG 105 5.945 6.547 -8.890 893 HD2 ARG 105 HD2 ARG 105 5.288 8.141 -7.032 894 HD3 ARG 105 HD1 ARG 105 6.870 8.906 -7.216 895 HE ARG 105 HE ARG 105 5.060 8.720 -9.526 896 HH11 ARG 105 HH11 ARG 105 6.744 10.773 -7.235 897 HH12 ARG 105 HH12 ARG 105 6.344 12.234 -8.072 898 HH21 ARG 105 HH21 ARG 105 4.552 10.631 -10.608 899 HH22 ARG 105 HH22 ARG 105 5.100 12.153 -9.988 900 H GLU 106 HN GLU 106 6.191 2.846 -6.380 901 HA GLU 106 HA GLU 106 7.350 3.042 -3.825 902 HB2 GLU 106 HB2 GLU 106 4.991 2.422 -4.181 903 HB3 GLU 106 HB1 GLU 106 5.473 0.994 -5.085 904 HG2 GLU 106 HG2 GLU 106 4.736 0.407 -2.827 905 HG3 GLU 106 HG1 GLU 106 6.436 -0.000 -3.066 906 H MET 107 HN MET 107 7.316 0.245 -6.211 907 HA MET 107 HA MET 107 9.235 -1.309 -4.883 908 HB2 MET 107 HB2 MET 107 8.218 -1.242 -7.755 909 HB3 MET 107 HB1 MET 107 9.326 -2.476 -7.177 910 HG2 MET 107 HG2 MET 107 7.685 -3.494 -5.824 911 HG3 MET 107 HG1 MET 107 6.676 -2.060 -5.778 912 HE1 MET 107 HE1 MET 107 7.937 -5.041 -7.952 913 HE2 MET 107 HE2 MET 107 8.121 -3.804 -9.206 914 HE3 MET 107 HE3 MET 107 6.836 -5.018 -9.328 915 H GLY 108 HN GLY 108 9.522 1.505 -6.850 916 HA2 GLY 108 HA2 GLY 108 11.388 2.901 -6.877 917 HA3 GLY 108 HA1 GLY 108 12.411 1.560 -6.387 918 H LEU 109 HN LEU 109 10.135 1.786 -9.108 919 HA LEU 109 HA LEU 109 12.157 0.844 -10.968 920 HB2 LEU 109 HB2 LEU 109 9.254 1.601 -11.487 921 HB3 LEU 109 HB1 LEU 109 10.325 0.783 -12.616 922 HG LEU 109 HG LEU 109 9.239 -0.353 -10.004 923 HD11 LEU 109 HD11 LEU 109 7.593 -0.311 -11.826 924 HD12 LEU 109 HD12 LEU 109 8.065 -1.962 -11.436 925 HD13 LEU 109 HD13 LEU 109 8.715 -1.182 -12.880 926 HD21 LEU 109 HD21 LEU 109 11.114 -1.719 -11.978 927 HD22 LEU 109 HD22 LEU 109 10.391 -2.447 -10.537 928 HD23 LEU 109 HD23 LEU 109 11.558 -1.141 -10.369 929 H GLU 110 HN GLU 110 13.237 2.040 -12.369 930 HA GLU 110 HA GLU 110 12.741 4.945 -12.640 931 HB2 GLU 110 HB2 GLU 110 15.069 5.047 -13.451 932 HB3 GLU 110 HB1 GLU 110 15.002 4.219 -11.896 933 HG2 GLU 110 HG2 GLU 110 14.976 2.023 -13.278 934 HG3 GLU 110 HG1 GLU 110 15.466 3.022 -14.642 935 H GLU 111 HN GLU 111 11.893 2.131 -14.137 936 HA GLU 111 HA GLU 111 11.725 3.294 -16.835 937 HB2 GLU 111 HB2 GLU 111 13.865 1.994 -16.696 938 HB3 GLU 111 HB1 GLU 111 12.959 0.560 -16.242 939 HG2 GLU 111 HG2 GLU 111 13.621 0.501 -18.598 940 HG3 GLU 111 HG1 GLU 111 11.866 0.521 -18.424 941 H MET 112 HN MET 112 10.078 2.355 -18.165 942 HA MET 112 HA MET 112 7.819 1.246 -16.817 943 HB2 MET 112 HB2 MET 112 7.348 2.688 -18.695 944 HB3 MET 112 HB1 MET 112 8.438 1.788 -19.746 945 HG2 MET 112 HG2 MET 112 6.947 -0.102 -19.789 946 HG3 MET 112 HG1 MET 112 5.907 0.626 -18.570 947 HE1 MET 112 HE1 MET 112 3.911 3.259 -20.428 948 HE2 MET 112 HE2 MET 112 5.243 3.455 -19.291 949 HE3 MET 112 HE3 MET 112 4.027 2.203 -19.016 950 H THR 113 HN THR 113 7.568 -0.882 -16.379 951 HA THR 113 HA THR 113 9.265 -2.850 -17.744 952 HB THR 113 HB THR 113 8.165 -2.971 -14.880 953 HG1 THR 113 HG1 THR 113 9.741 -1.238 -15.248 954 HG21 THR 113 HG21 THR 113 9.857 -4.727 -14.544 955 HG22 THR 113 HG22 THR 113 10.379 -4.570 -16.224 956 HG23 THR 113 HG23 THR 113 8.760 -5.167 -15.855 957 H GLY 114 HN GLY 114 7.960 -4.997 -18.049 958 HA2 GLY 114 HA2 GLY 114 5.147 -4.897 -17.254 959 HA3 GLY 114 HA1 GLY 114 5.532 -5.047 -18.964 960 H PHE 115 HN PHE 115 4.279 -6.831 -16.843 961 HA PHE 115 HA PHE 115 5.898 -9.288 -17.234 962 HB2 PHE 115 HB2 PHE 115 4.111 -8.709 -14.835 963 HB3 PHE 115 HB1 PHE 115 5.275 -10.013 -15.012 964 HD1 PHE 115 HD2 PHE 115 4.875 -6.372 -14.392 965 HD2 PHE 115 HD1 PHE 115 7.616 -9.657 -14.440 966 HE1 PHE 115 HE2 PHE 115 6.530 -5.017 -13.171 967 HE2 PHE 115 HE1 PHE 115 9.264 -8.290 -13.229 968 HZ PHE 115 HZ PHE 115 8.728 -5.979 -12.594 969 H SER 116 HN SER 116 4.516 -11.260 -17.745 970 HA SER 116 HA SER 116 1.677 -11.119 -17.121 971 HB2 SER 116 HB2 SER 116 2.047 -10.150 -19.445 972 HB3 SER 116 HB1 SER 116 2.762 -11.676 -19.931 973 HG SER 116 HG SER 116 0.091 -11.197 -19.118 974 H LYS 117 HN LYS 117 0.606 -13.194 -17.841 975 HA LYS 117 HA LYS 117 2.144 -15.598 -17.183 976 HB2 LYS 117 HB2 LYS 117 -0.835 -15.228 -17.720 977 HB3 LYS 117 HB1 LYS 117 -0.080 -16.676 -17.059 978 HG2 LYS 117 HG2 LYS 117 0.052 -13.989 -15.655 979 HG3 LYS 117 HG1 LYS 117 -1.292 -15.104 -15.410 980 HD2 LYS 117 HD2 LYS 117 1.634 -15.747 -14.860 981 HD3 LYS 117 HD1 LYS 117 0.464 -15.241 -13.635 982 HE2 LYS 117 HE2 LYS 117 -0.920 -17.264 -14.231 983 HE3 LYS 117 HE1 LYS 117 0.392 -17.786 -15.292 984 HZ1 LYS 117 HZ1 LYS 117 0.513 -18.853 -13.139 985 HZ2 LYS 117 HZ2 LYS 117 0.611 -17.357 -12.366 986 HZ3 LYS 117 HZ3 LYS 117 1.858 -17.861 -13.383 987 H THR 118 HN THR 118 1.258 -13.825 -19.901 988 HA THR 118 HA THR 118 1.472 -16.113 -21.768 989 HB THR 118 HB THR 118 0.155 -14.529 -23.375 990 HG1 THR 118 HG1 THR 118 0.358 -12.847 -21.448 991 HG21 THR 118 HG21 THR 118 -0.875 -16.568 -22.450 992 HG22 THR 118 HG22 THR 118 -2.049 -15.255 -22.542 993 HG23 THR 118 HG23 THR 118 -1.328 -15.688 -20.990 994 H THR 119 HN THR 119 2.663 -15.675 -23.724 995 HA THR 119 HA THR 119 5.071 -14.255 -23.035 996 HB THR 119 HB THR 119 5.198 -16.490 -24.015 997 HG1 THR 119 HG1 THR 119 6.955 -15.089 -24.366 998 HG21 THR 119 HG21 THR 119 4.124 -15.288 -26.588 999 HG22 THR 119 HG22 THR 119 3.273 -16.441 -25.560 1000 HG23 THR 119 HG23 THR 119 4.749 -16.928 -26.399 1001 H PHE 120 HN PHE 120 6.070 -12.584 -24.089 1002 HA PHE 120 HA PHE 120 5.015 -11.258 -26.411 1003 HB2 PHE 120 HB2 PHE 120 4.645 -9.057 -25.323 1004 HB3 PHE 120 HB1 PHE 120 3.540 -10.276 -24.715 1005 HD1 PHE 120 HD2 PHE 120 4.257 -11.468 -22.467 1006 HD2 PHE 120 HD1 PHE 120 5.792 -7.698 -23.773 1007 HE1 PHE 120 HE2 PHE 120 4.941 -10.944 -20.175 1008 HE2 PHE 120 HE1 PHE 120 6.472 -7.187 -21.470 1009 HZ PHE 120 HZ PHE 120 6.050 -8.814 -19.669 Start of MODEL 10 1 H MET 1 HT1 MET 1 -13.095 -1.587 -5.126 2 HA MET 1 HA MET 1 -15.761 -1.622 -3.859 3 HB2 MET 1 HB2 MET 1 -14.367 -3.622 -3.317 4 HB3 MET 1 HB1 MET 1 -13.066 -2.564 -2.783 5 HG2 MET 1 HG2 MET 1 -14.277 -3.442 -0.868 6 HG3 MET 1 HG1 MET 1 -14.516 -1.699 -0.984 7 HE1 MET 1 HE1 MET 1 -16.296 -4.511 -3.167 8 HE2 MET 1 HE2 MET 1 -17.738 -4.805 -2.195 9 HE3 MET 1 HE3 MET 1 -16.149 -5.249 -1.571 10 H LYS 2 HN LYS 2 -12.371 -0.673 -3.175 11 HA LYS 2 HA LYS 2 -11.363 1.104 -2.266 12 HB2 LYS 2 HB2 LYS 2 -13.722 2.690 -3.361 13 HB3 LYS 2 HB1 LYS 2 -12.242 3.402 -2.727 14 HG2 LYS 2 HG2 LYS 2 -12.503 1.656 -5.194 15 HG3 LYS 2 HG1 LYS 2 -12.176 3.394 -5.152 16 HD2 LYS 2 HD2 LYS 2 -10.010 2.918 -3.985 17 HD3 LYS 2 HD1 LYS 2 -10.339 1.189 -4.121 18 HE2 LYS 2 HE2 LYS 2 -8.807 1.863 -5.880 19 HE3 LYS 2 HE1 LYS 2 -10.351 1.417 -6.604 20 HZ1 LYS 2 HZ1 LYS 2 -9.424 4.186 -6.062 21 HZ2 LYS 2 HZ2 LYS 2 -10.894 3.761 -6.778 22 HZ3 LYS 2 HZ3 LYS 2 -9.445 3.429 -7.573 23 H GLU 3 HN GLU 3 -11.227 0.913 -0.131 24 HA GLU 3 HA GLU 3 -13.563 1.437 1.613 25 HB2 GLU 3 HB2 GLU 3 -11.025 -0.192 2.079 26 HB3 GLU 3 HB1 GLU 3 -12.258 0.077 3.308 27 HG2 GLU 3 HG2 GLU 3 -12.764 -1.321 0.666 28 HG3 GLU 3 HG1 GLU 3 -12.358 -2.159 2.160 29 H VAL 4 HN VAL 4 -12.554 1.974 3.970 30 HA VAL 4 HA VAL 4 -11.131 4.528 3.748 31 HB VAL 4 HB VAL 4 -11.627 4.758 6.184 32 HG11 VAL 4 HG11 VAL 4 -13.250 5.589 4.542 33 HG12 VAL 4 HG12 VAL 4 -14.069 5.009 5.992 34 HG13 VAL 4 HG13 VAL 4 -14.064 4.022 4.528 35 HG21 VAL 4 HG21 VAL 4 -13.016 2.062 5.915 36 HG22 VAL 4 HG22 VAL 4 -13.097 3.119 7.328 37 HG23 VAL 4 HG23 VAL 4 -11.562 2.392 6.858 38 H GLU 5 HN GLU 5 -9.918 1.640 3.510 39 HA GLU 5 HA GLU 5 -7.963 1.062 5.309 40 HB2 GLU 5 HB2 GLU 5 -8.436 0.441 2.575 41 HB3 GLU 5 HB1 GLU 5 -6.773 0.981 2.609 42 HG2 GLU 5 HG2 GLU 5 -6.878 -1.422 2.822 43 HG3 GLU 5 HG1 GLU 5 -6.252 -0.727 4.319 44 H LYS 6 HN LYS 6 -7.530 3.394 2.666 45 HA LYS 6 HA LYS 6 -5.062 4.516 3.258 46 HB2 LYS 6 HB2 LYS 6 -7.504 6.099 2.345 47 HB3 LYS 6 HB1 LYS 6 -5.817 6.558 2.121 48 HG2 LYS 6 HG2 LYS 6 -5.502 4.556 0.657 49 HG3 LYS 6 HG1 LYS 6 -7.226 4.199 0.827 50 HD2 LYS 6 HD2 LYS 6 -6.017 6.707 -0.401 51 HD3 LYS 6 HD1 LYS 6 -6.779 5.384 -1.283 52 HE2 LYS 6 HE2 LYS 6 -8.945 5.921 -0.364 53 HE3 LYS 6 HE1 LYS 6 -8.248 7.092 0.759 54 HZ1 LYS 6 HZ1 LYS 6 -8.144 7.341 -2.190 55 HZ2 LYS 6 HZ2 LYS 6 -7.655 8.494 -1.056 56 HZ3 LYS 6 HZ3 LYS 6 -9.287 8.096 -1.205 57 H ASN 7 HN ASN 7 -8.200 5.243 4.756 58 HA ASN 7 HA ASN 7 -7.345 7.460 6.370 59 HB2 ASN 7 HB2 ASN 7 -9.712 7.056 5.656 60 HB3 ASN 7 HB1 ASN 7 -9.757 5.636 6.691 61 HD21 ASN 7 HD21 ASN 7 -11.464 6.411 7.892 62 HD22 ASN 7 HD22 ASN 7 -11.324 7.732 8.989 63 H GLU 8 HN GLU 8 -7.609 3.932 6.903 64 HA GLU 8 HA GLU 8 -6.865 3.846 9.616 65 HB2 GLU 8 HB2 GLU 8 -6.658 1.845 7.365 66 HB3 GLU 8 HB1 GLU 8 -5.801 1.500 8.858 67 HG2 GLU 8 HG2 GLU 8 -7.847 0.354 8.994 68 HG3 GLU 8 HG1 GLU 8 -7.990 1.731 10.079 69 H ILE 9 HN ILE 9 -4.732 3.659 6.683 70 HA ILE 9 HA ILE 9 -2.293 3.572 8.032 71 HB ILE 9 HB ILE 9 -2.929 4.706 5.266 72 HG12 ILE 9 HG12 ILE 9 -3.593 2.325 5.494 73 HG13 ILE 9 HG11 ILE 9 -2.215 2.474 4.412 74 HG21 ILE 9 HG21 ILE 9 -0.527 4.358 4.719 75 HG22 ILE 9 HG22 ILE 9 -0.215 3.916 6.399 76 HG23 ILE 9 HG23 ILE 9 -0.745 5.550 6.004 77 HD11 ILE 9 HD11 ILE 9 -0.722 1.710 6.231 78 HD12 ILE 9 HD12 ILE 9 -1.981 0.532 5.860 79 HD13 ILE 9 HD13 ILE 9 -2.126 1.547 7.294 80 H LYS 10 HN LYS 10 -4.229 6.332 6.953 81 HA LYS 10 HA LYS 10 -2.482 8.460 7.596 82 HB2 LYS 10 HB2 LYS 10 -4.609 8.534 6.194 83 HB3 LYS 10 HB1 LYS 10 -5.537 8.480 7.679 84 HG2 LYS 10 HG2 LYS 10 -3.561 10.700 7.076 85 HG3 LYS 10 HG1 LYS 10 -5.236 10.758 6.533 86 HD2 LYS 10 HD2 LYS 10 -5.951 10.579 8.943 87 HD3 LYS 10 HD1 LYS 10 -4.254 10.689 9.415 88 HE2 LYS 10 HE2 LYS 10 -5.292 12.875 9.635 89 HE3 LYS 10 HE1 LYS 10 -4.138 12.929 8.301 90 HZ1 LYS 10 HZ1 LYS 10 -7.084 12.644 8.065 91 HZ2 LYS 10 HZ2 LYS 10 -6.002 12.634 6.768 92 HZ3 LYS 10 HZ3 LYS 10 -6.177 14.026 7.708 93 H ARG 11 HN ARG 11 -5.049 6.912 9.413 94 HA ARG 11 HA ARG 11 -4.977 8.170 11.841 95 HB2 ARG 11 HB2 ARG 11 -6.659 6.494 11.212 96 HB3 ARG 11 HB1 ARG 11 -5.456 5.213 11.332 97 HG2 ARG 11 HG2 ARG 11 -5.289 5.492 13.736 98 HG3 ARG 11 HG1 ARG 11 -6.344 6.913 13.685 99 HD2 ARG 11 HD2 ARG 11 -7.121 4.037 13.053 100 HD3 ARG 11 HD1 ARG 11 -7.608 4.982 14.458 101 HE ARG 11 HE ARG 11 -8.878 6.443 12.942 102 HH11 ARG 11 HH11 ARG 11 -8.048 3.259 11.773 103 HH12 ARG 11 HH12 ARG 11 -9.284 3.246 10.556 104 HH21 ARG 11 HH21 ARG 11 -10.502 6.414 11.329 105 HH22 ARG 11 HH22 ARG 11 -10.662 5.021 10.300 106 H LEU 12 HN LEU 12 -3.076 5.158 11.136 107 HA LEU 12 HA LEU 12 -1.661 5.233 13.603 108 HB2 LEU 12 HB2 LEU 12 -0.203 3.460 12.627 109 HB3 LEU 12 HB1 LEU 12 -1.923 3.134 12.525 110 HG LEU 12 HG LEU 12 -1.580 4.143 10.039 111 HD11 LEU 12 HD11 LEU 12 0.794 4.654 10.244 112 HD12 LEU 12 HD12 LEU 12 0.530 3.417 9.018 113 HD13 LEU 12 HD13 LEU 12 1.153 2.963 10.607 114 HD21 LEU 12 HD21 LEU 12 -0.927 1.271 10.760 115 HD22 LEU 12 HD22 LEU 12 -1.436 1.864 9.175 116 HD23 LEU 12 HD23 LEU 12 -2.544 1.952 10.543 117 H SER 13 HN SER 13 -0.636 6.347 10.352 118 HA SER 13 HA SER 13 1.782 7.489 10.831 119 HB2 SER 13 HB2 SER 13 -0.498 8.780 9.279 120 HB3 SER 13 HB1 SER 13 1.205 9.236 9.145 121 HG SER 13 HG SER 13 -0.122 7.190 7.989 122 H ASP 14 HN ASP 14 -1.321 9.135 11.465 123 HA ASP 14 HA ASP 14 -0.361 11.455 12.727 124 HB2 ASP 14 HB2 ASP 14 -2.740 11.030 11.882 125 HB3 ASP 14 HB1 ASP 14 -3.020 10.073 13.326 126 H ARG 15 HN ARG 15 -1.207 8.332 14.002 127 HA ARG 15 HA ARG 15 -0.936 8.734 16.769 128 HB2 ARG 15 HB2 ARG 15 -1.880 6.664 15.793 129 HB3 ARG 15 HB1 ARG 15 -0.282 6.173 15.257 130 HG2 ARG 15 HG2 ARG 15 -1.051 4.994 17.317 131 HG3 ARG 15 HG1 ARG 15 0.469 5.866 17.539 132 HD2 ARG 15 HD2 ARG 15 -1.119 6.123 19.457 133 HD3 ARG 15 HD1 ARG 15 -0.653 7.660 18.724 134 HE ARG 15 HE ARG 15 -3.061 6.734 17.550 135 HH11 ARG 15 HH11 ARG 15 -1.948 8.065 20.619 136 HH12 ARG 15 HH12 ARG 15 -3.461 8.846 20.951 137 HH21 ARG 15 HH21 ARG 15 -5.019 7.775 18.018 138 HH22 ARG 15 HH22 ARG 15 -5.192 8.679 19.491 139 H LEU 16 HN LEU 16 1.637 7.432 14.576 140 HA LEU 16 HA LEU 16 3.696 7.532 16.505 141 HB2 LEU 16 HB2 LEU 16 3.625 6.146 14.366 142 HB3 LEU 16 HB1 LEU 16 4.006 7.599 13.471 143 HG LEU 16 HG LEU 16 5.937 5.962 13.901 144 HD11 LEU 16 HD11 LEU 16 7.651 7.654 14.234 145 HD12 LEU 16 HD12 LEU 16 6.450 8.800 14.830 146 HD13 LEU 16 HD13 LEU 16 6.394 8.254 13.153 147 HD21 LEU 16 HD21 LEU 16 7.088 6.030 16.068 148 HD22 LEU 16 HD22 LEU 16 5.455 5.393 16.232 149 HD23 LEU 16 HD23 LEU 16 5.808 7.048 16.736 150 H ASP 17 HN ASP 17 2.631 9.826 14.015 151 HA ASP 17 HA ASP 17 4.592 11.790 14.236 152 HB2 ASP 17 HB2 ASP 17 2.853 11.813 12.483 153 HB3 ASP 17 HB1 ASP 17 1.626 12.199 13.688 154 H ALA 18 HN ALA 18 1.506 11.683 16.026 155 HA ALA 18 HA ALA 18 1.906 13.582 17.954 156 HB1 ALA 18 HB1 ALA 18 0.315 12.347 19.354 157 HB2 ALA 18 HB2 ALA 18 0.540 10.908 18.354 158 HB3 ALA 18 HB3 ALA 18 -0.200 12.352 17.664 159 H ILE 19 HN ILE 19 3.262 10.310 17.890 160 HA ILE 19 HA ILE 19 4.279 10.415 20.595 161 HB ILE 19 HB ILE 19 4.805 8.407 18.371 162 HG12 ILE 19 HG12 ILE 19 3.160 8.396 20.946 163 HG13 ILE 19 HG11 ILE 19 2.580 8.187 19.299 164 HG21 ILE 19 HG21 ILE 19 6.014 6.989 20.020 165 HG22 ILE 19 HG22 ILE 19 5.930 8.293 21.208 166 HG23 ILE 19 HG23 ILE 19 6.868 8.504 19.729 167 HD11 ILE 19 HD11 ILE 19 4.160 6.218 20.945 168 HD12 ILE 19 HD12 ILE 19 3.746 5.989 19.247 169 HD13 ILE 19 HD13 ILE 19 2.470 6.108 20.457 170 H ARG 20 HN ARG 20 6.027 10.718 17.394 171 HA ARG 20 HA ARG 20 8.466 11.450 18.509 172 HB2 ARG 20 HB2 ARG 20 8.992 12.455 16.268 173 HB3 ARG 20 HB1 ARG 20 8.423 10.796 16.205 174 HG2 ARG 20 HG2 ARG 20 6.595 11.327 14.959 175 HG3 ARG 20 HG1 ARG 20 6.245 12.763 15.909 176 HD2 ARG 20 HD2 ARG 20 8.331 12.599 13.716 177 HD3 ARG 20 HD1 ARG 20 6.717 13.299 13.539 178 HE ARG 20 HE ARG 20 9.004 14.425 14.975 179 HH11 ARG 20 HH11 ARG 20 5.589 14.789 14.176 180 HH12 ARG 20 HH12 ARG 20 5.537 16.445 14.695 181 HH21 ARG 20 HH21 ARG 20 8.905 16.566 15.664 182 HH22 ARG 20 HH22 ARG 20 7.418 17.454 15.535 183 H HIS 21 HN HIS 21 5.624 13.548 17.748 184 HA HIS 21 HA HIS 21 6.803 16.006 18.344 185 HB2 HIS 21 HB2 HIS 21 4.603 15.746 17.262 186 HB3 HIS 21 HB1 HIS 21 3.929 15.078 18.732 187 HD1 HIS 21 HD1 HIS 21 3.183 16.726 20.549 188 HD2 HIS 21 HD2 HIS 21 5.091 18.564 17.352 189 HE1 HIS 21 HE1 HIS 21 2.756 19.178 20.830 190 HE2 HIS 21 HE2 HIS 21 3.737 20.245 18.774 191 H GLN 22 HN GLN 22 5.011 13.788 20.362 192 HA GLN 22 HA GLN 22 5.022 15.357 22.737 193 HB2 GLN 22 HB2 GLN 22 4.108 13.538 23.945 194 HB3 GLN 22 HB1 GLN 22 3.490 13.346 22.311 195 HG2 GLN 22 HG2 GLN 22 5.155 11.593 21.883 196 HG3 GLN 22 HG1 GLN 22 5.794 11.785 23.510 197 HE21 GLN 22 HE21 GLN 22 4.716 9.412 22.279 198 HE22 GLN 22 HE22 GLN 22 3.377 8.910 23.249 199 H GLN 23 HN GLN 23 7.341 12.978 21.481 200 HA GLN 23 HA GLN 23 9.089 13.243 23.786 201 HB2 GLN 23 HB2 GLN 23 9.366 11.726 21.173 202 HB3 GLN 23 HB1 GLN 23 10.511 11.644 22.512 203 HG2 GLN 23 HG2 GLN 23 8.645 10.797 23.965 204 HG3 GLN 23 HG1 GLN 23 7.626 10.734 22.525 205 HE21 GLN 23 HE21 GLN 23 10.289 9.288 24.221 206 HE22 GLN 23 HE22 GLN 23 10.432 7.891 23.220 207 H ALA 24 HN ALA 24 8.851 14.694 20.596 208 HA ALA 24 HA ALA 24 11.273 16.066 20.549 209 HB1 ALA 24 HB1 ALA 24 8.593 17.258 19.759 210 HB2 ALA 24 HB2 ALA 24 9.623 16.271 18.723 211 HB3 ALA 24 HB3 ALA 24 10.184 17.853 19.268 212 H ASP 25 HN ASP 25 8.232 17.084 22.181 213 HA ASP 25 HA ASP 25 9.400 19.247 23.614 214 HB2 ASP 25 HB2 ASP 25 6.838 17.678 24.127 215 HB3 ASP 25 HB1 ASP 25 7.255 19.210 24.888 216 H LEU 26 HN LEU 26 9.475 15.823 24.136 217 HA LEU 26 HA LEU 26 10.363 16.237 26.945 218 HB2 LEU 26 HB2 LEU 26 9.334 13.657 25.727 219 HB3 LEU 26 HB1 LEU 26 9.909 13.848 27.376 220 HG LEU 26 HG LEU 26 7.370 14.970 26.146 221 HD11 LEU 26 HD11 LEU 26 7.787 13.188 28.552 222 HD12 LEU 26 HD12 LEU 26 7.247 12.672 26.955 223 HD13 LEU 26 HD13 LEU 26 6.237 13.748 27.915 224 HD21 LEU 26 HD21 LEU 26 6.903 16.098 28.306 225 HD22 LEU 26 HD22 LEU 26 8.260 16.807 27.440 226 HD23 LEU 26 HD23 LEU 26 8.559 15.752 28.826 227 H SER 27 HN SER 27 12.041 14.844 27.767 228 HA SER 27 HA SER 27 13.886 13.645 25.833 229 HB2 SER 27 HB2 SER 27 14.760 15.920 26.032 230 HB3 SER 27 HB1 SER 27 14.696 15.837 27.791 231 HG SER 27 HG SER 27 16.807 15.462 26.801 232 H LEU 28 HN LEU 28 15.493 12.272 26.869 233 HA LEU 28 HA LEU 28 14.428 10.678 28.966 234 HB2 LEU 28 HB2 LEU 28 16.301 9.218 28.694 235 HB3 LEU 28 HB1 LEU 28 15.779 9.741 27.117 236 HG LEU 28 HG LEU 28 18.108 9.625 26.937 237 HD11 LEU 28 HD11 LEU 28 18.996 11.861 26.612 238 HD12 LEU 28 HD12 LEU 28 17.637 12.548 27.507 239 HD13 LEU 28 HD13 LEU 28 17.357 11.708 25.980 240 HD21 LEU 28 HD21 LEU 28 18.673 9.296 29.261 241 HD22 LEU 28 HD22 LEU 28 18.440 11.012 29.596 242 HD23 LEU 28 HD23 LEU 28 19.749 10.487 28.529 243 H VAL 29 HN VAL 29 16.598 13.371 28.950 244 HA VAL 29 HA VAL 29 17.800 12.915 31.528 245 HB VAL 29 HB VAL 29 17.654 15.517 29.931 246 HG11 VAL 29 HG11 VAL 29 18.275 15.911 32.278 247 HG12 VAL 29 HG12 VAL 29 19.656 16.201 31.223 248 HG13 VAL 29 HG13 VAL 29 19.564 14.710 32.163 249 HG21 VAL 29 HG21 VAL 29 19.904 14.929 29.068 250 HG22 VAL 29 HG22 VAL 29 18.689 13.744 28.585 251 HG23 VAL 29 HG23 VAL 29 19.814 13.370 29.893 252 H GLU 30 HN GLU 30 15.108 14.932 30.317 253 HA GLU 30 HA GLU 30 14.531 16.065 32.929 254 HB2 GLU 30 HB2 GLU 30 12.615 17.171 31.836 255 HB3 GLU 30 HB1 GLU 30 14.082 17.388 30.888 256 HG2 GLU 30 HG2 GLU 30 13.353 15.593 29.353 257 HG3 GLU 30 HG1 GLU 30 11.887 15.383 30.300 258 H ALA 31 HN ALA 31 13.364 13.388 30.981 259 HA ALA 31 HA ALA 31 11.428 12.590 33.066 260 HB1 ALA 31 HB1 ALA 31 10.752 12.742 30.103 261 HB2 ALA 31 HB2 ALA 31 10.242 13.926 31.306 262 HB3 ALA 31 HB3 ALA 31 9.677 12.266 31.415 263 H ALA 32 HN ALA 32 13.026 11.018 33.581 264 HA ALA 32 HA ALA 32 14.271 9.276 31.780 265 HB1 ALA 32 HB1 ALA 32 13.732 8.781 34.726 266 HB2 ALA 32 HB2 ALA 32 15.102 9.677 34.069 267 HB3 ALA 32 HB3 ALA 32 14.936 7.952 33.738 268 H ASP 33 HN ASP 33 11.536 8.430 33.969 269 HA ASP 33 HA ASP 33 11.059 5.876 32.759 270 HB2 ASP 33 HB2 ASP 33 10.468 6.309 35.107 271 HB3 ASP 33 HB1 ASP 33 9.332 7.560 34.627 272 H LYS 34 HN LYS 34 9.438 8.948 32.655 273 HA LYS 34 HA LYS 34 7.140 8.346 31.164 274 HB2 LYS 34 HB2 LYS 34 7.419 10.480 32.376 275 HB3 LYS 34 HB1 LYS 34 8.645 10.980 31.228 276 HG2 LYS 34 HG2 LYS 34 6.548 12.115 30.754 277 HG3 LYS 34 HG1 LYS 34 6.974 11.033 29.422 278 HD2 LYS 34 HD2 LYS 34 5.405 9.323 30.383 279 HD3 LYS 34 HD1 LYS 34 4.921 10.504 31.603 280 HE2 LYS 34 HE2 LYS 34 4.053 11.987 29.845 281 HE3 LYS 34 HE1 LYS 34 4.604 10.862 28.598 282 HZ1 LYS 34 HZ1 LYS 34 2.264 10.581 29.017 283 HZ2 LYS 34 HZ2 LYS 34 2.542 10.331 30.664 284 HZ3 LYS 34 HZ3 LYS 34 3.092 9.199 29.537 285 H TYR 35 HN TYR 35 10.121 9.806 29.928 286 HA TYR 35 HA TYR 35 9.492 9.681 27.143 287 HB2 TYR 35 HB2 TYR 35 11.214 11.209 28.106 288 HB3 TYR 35 HB1 TYR 35 12.225 9.832 28.467 289 HD1 TYR 35 HD2 TYR 35 10.858 11.904 25.682 290 HD2 TYR 35 HD1 TYR 35 13.659 8.858 26.759 291 HE1 TYR 35 HE2 TYR 35 12.014 12.181 23.537 292 HE2 TYR 35 HE1 TYR 35 14.804 9.156 24.622 293 HH TYR 35 HH TYR 35 14.319 9.978 22.382 294 H ALA 36 HN ALA 36 10.938 7.382 29.385 295 HA ALA 36 HA ALA 36 12.067 5.580 27.477 296 HB1 ALA 36 HB1 ALA 36 12.218 3.959 29.313 297 HB2 ALA 36 HB2 ALA 36 11.180 4.981 30.313 298 HB3 ALA 36 HB3 ALA 36 12.770 5.558 29.823 299 H GLU 37 HN GLU 37 8.941 5.483 29.233 300 HA GLU 37 HA GLU 37 7.869 3.207 28.001 301 HB2 GLU 37 HB2 GLU 37 6.410 5.616 29.178 302 HB3 GLU 37 HB1 GLU 37 5.683 4.045 28.847 303 HG2 GLU 37 HG2 GLU 37 7.903 4.574 30.840 304 HG3 GLU 37 HG1 GLU 37 6.198 4.383 31.234 305 H LEU 38 HN LEU 38 7.892 6.545 27.139 306 HA LEU 38 HA LEU 38 6.083 6.378 24.890 307 HB2 LEU 38 HB2 LEU 38 8.222 8.443 25.454 308 HB3 LEU 38 HB1 LEU 38 6.993 8.587 24.203 309 HG LEU 38 HG LEU 38 6.506 8.517 27.203 310 HD11 LEU 38 HD11 LEU 38 5.735 10.816 26.946 311 HD12 LEU 38 HD12 LEU 38 6.130 10.773 25.228 312 HD13 LEU 38 HD13 LEU 38 7.411 10.641 26.433 313 HD21 LEU 38 HD21 LEU 38 4.672 7.353 26.080 314 HD22 LEU 38 HD22 LEU 38 4.441 8.720 24.990 315 HD23 LEU 38 HD23 LEU 38 4.127 8.902 26.717 316 H GLU 39 HN GLU 39 9.615 6.368 25.052 317 HA GLU 39 HA GLU 39 10.332 5.596 22.479 318 HB2 GLU 39 HB2 GLU 39 11.561 4.928 25.166 319 HB3 GLU 39 HB1 GLU 39 12.269 4.307 23.686 320 HG2 GLU 39 HG2 GLU 39 11.876 7.245 24.341 321 HG3 GLU 39 HG1 GLU 39 13.389 6.357 24.511 322 H LYS 40 HN LYS 40 8.930 3.643 24.987 323 HA LYS 40 HA LYS 40 9.290 1.108 23.536 324 HB2 LYS 40 HB2 LYS 40 7.797 1.658 26.123 325 HB3 LYS 40 HB1 LYS 40 7.925 0.065 25.379 326 HG2 LYS 40 HG2 LYS 40 10.506 0.502 25.478 327 HG3 LYS 40 HG1 LYS 40 10.081 1.729 26.665 328 HD2 LYS 40 HD2 LYS 40 9.309 -1.204 26.893 329 HD3 LYS 40 HD1 LYS 40 10.748 -0.505 27.630 330 HE2 LYS 40 HE2 LYS 40 9.132 -0.634 29.352 331 HE3 LYS 40 HE1 LYS 40 9.189 1.063 28.890 332 HZ1 LYS 40 HZ1 LYS 40 7.118 -0.918 28.133 333 HZ2 LYS 40 HZ2 LYS 40 7.167 0.671 27.570 334 HZ3 LYS 40 HZ3 LYS 40 6.940 0.369 29.214 335 H GLU 41 HN GLU 41 6.502 3.168 24.345 336 HA GLU 41 HA GLU 41 4.498 2.032 22.836 337 HB2 GLU 41 HB2 GLU 41 5.089 5.000 23.218 338 HB3 GLU 41 HB1 GLU 41 3.607 4.396 22.480 339 HG2 GLU 41 HG2 GLU 41 4.535 3.940 25.325 340 HG3 GLU 41 HG1 GLU 41 3.205 4.971 24.802 341 H LYS 42 HN LYS 42 7.033 4.212 21.790 342 HA LYS 42 HA LYS 42 6.491 4.275 19.017 343 HB2 LYS 42 HB2 LYS 42 8.048 5.868 20.084 344 HB3 LYS 42 HB1 LYS 42 9.165 4.555 20.450 345 HG2 LYS 42 HG2 LYS 42 9.380 4.146 17.962 346 HG3 LYS 42 HG1 LYS 42 8.423 5.606 17.696 347 HD2 LYS 42 HD2 LYS 42 11.068 5.499 19.193 348 HD3 LYS 42 HD1 LYS 42 10.886 5.970 17.502 349 HE2 LYS 42 HE2 LYS 42 9.498 7.882 18.174 350 HE3 LYS 42 HE1 LYS 42 9.642 7.405 19.871 351 HZ1 LYS 42 HZ1 LYS 42 11.194 9.164 19.176 352 HZ2 LYS 42 HZ2 LYS 42 11.946 8.068 18.133 353 HZ3 LYS 42 HZ3 LYS 42 11.967 7.802 19.805 354 H ALA 43 HN ALA 43 8.783 2.323 20.856 355 HA ALA 43 HA ALA 43 9.880 0.618 18.987 356 HB1 ALA 43 HB1 ALA 43 10.333 -1.002 20.783 357 HB2 ALA 43 HB2 ALA 43 9.129 -0.220 21.808 358 HB3 ALA 43 HB3 ALA 43 10.595 0.650 21.356 359 H THR 44 HN THR 44 6.920 -0.076 20.807 360 HA THR 44 HA THR 44 6.100 -2.468 19.576 361 HB THR 44 HB THR 44 4.311 -0.333 20.845 362 HG1 THR 44 HG1 THR 44 5.204 -0.893 22.653 363 HG21 THR 44 HG21 THR 44 2.778 -2.198 21.370 364 HG22 THR 44 HG22 THR 44 3.845 -3.331 20.535 365 HG23 THR 44 HG23 THR 44 3.015 -2.064 19.630 366 H LEU 45 HN LEU 45 5.182 0.876 18.978 367 HA LEU 45 HA LEU 45 3.548 0.462 16.731 368 HB2 LEU 45 HB2 LEU 45 5.260 2.874 17.324 369 HB3 LEU 45 HB1 LEU 45 4.361 2.740 15.817 370 HG LEU 45 HG LEU 45 3.197 2.893 18.624 371 HD11 LEU 45 HD11 LEU 45 3.851 5.036 17.603 372 HD12 LEU 45 HD12 LEU 45 2.105 4.916 17.794 373 HD13 LEU 45 HD13 LEU 45 2.835 4.683 16.203 374 HD21 LEU 45 HD21 LEU 45 1.902 1.212 17.398 375 HD22 LEU 45 HD22 LEU 45 1.712 2.314 16.034 376 HD23 LEU 45 HD23 LEU 45 0.955 2.691 17.582 377 H GLU 46 HN GLU 46 7.094 1.117 16.546 378 HA GLU 46 HA GLU 46 7.458 0.689 13.823 379 HB2 GLU 46 HB2 GLU 46 9.471 0.164 16.047 380 HB3 GLU 46 HB1 GLU 46 9.845 0.480 14.352 381 HG2 GLU 46 HG2 GLU 46 8.892 2.748 14.572 382 HG3 GLU 46 HG1 GLU 46 8.528 2.425 16.263 383 H ALA 47 HN ALA 47 7.052 -1.522 16.353 384 HA ALA 47 HA ALA 47 8.278 -3.893 15.174 385 HB1 ALA 47 HB1 ALA 47 6.448 -3.719 17.598 386 HB2 ALA 47 HB2 ALA 47 8.211 -3.657 17.622 387 HB3 ALA 47 HB3 ALA 47 7.390 -5.133 17.110 388 H GLU 48 HN GLU 48 4.979 -3.098 16.091 389 HA GLU 48 HA GLU 48 3.447 -4.938 14.695 390 HB2 GLU 48 HB2 GLU 48 2.428 -3.555 16.402 391 HB3 GLU 48 HB1 GLU 48 2.950 -2.080 15.610 392 HG2 GLU 48 HG2 GLU 48 0.657 -2.113 15.228 393 HG3 GLU 48 HG1 GLU 48 1.329 -2.701 13.715 394 H ILE 49 HN ILE 49 4.207 -1.647 13.793 395 HA ILE 49 HA ILE 49 2.733 -1.715 11.375 396 HB ILE 49 HB ILE 49 3.492 0.465 10.719 397 HG12 ILE 49 HG12 ILE 49 5.695 0.208 12.826 398 HG13 ILE 49 HG11 ILE 49 5.921 0.325 11.082 399 HG21 ILE 49 HG21 ILE 49 2.872 1.791 12.714 400 HG22 ILE 49 HG22 ILE 49 3.111 0.371 13.731 401 HG23 ILE 49 HG23 ILE 49 1.833 0.379 12.518 402 HD11 ILE 49 HD11 ILE 49 4.869 2.486 12.899 403 HD12 ILE 49 HD12 ILE 49 5.047 2.617 11.147 404 HD13 ILE 49 HD13 ILE 49 6.469 2.404 12.168 405 H ALA 50 HN ALA 50 6.405 -1.790 11.699 406 HA ALA 50 HA ALA 50 6.826 -2.505 9.019 407 HB1 ALA 50 HB1 ALA 50 9.094 -3.045 9.723 408 HB2 ALA 50 HB2 ALA 50 8.585 -3.055 11.415 409 HB3 ALA 50 HB3 ALA 50 8.543 -1.551 10.490 410 H ARG 51 HN ARG 51 6.096 -4.568 11.777 411 HA ARG 51 HA ARG 51 6.571 -7.114 10.617 412 HB2 ARG 51 HB2 ARG 51 5.938 -6.822 13.018 413 HB3 ARG 51 HB1 ARG 51 4.292 -6.472 12.520 414 HG2 ARG 51 HG2 ARG 51 4.457 -8.776 13.306 415 HG3 ARG 51 HG1 ARG 51 4.098 -8.764 11.576 416 HD2 ARG 51 HD2 ARG 51 6.458 -9.222 11.065 417 HD3 ARG 51 HD1 ARG 51 6.855 -9.159 12.783 418 HE ARG 51 HE ARG 51 4.960 -11.096 12.669 419 HH11 ARG 51 HH11 ARG 51 7.980 -10.661 10.905 420 HH12 ARG 51 HH12 ARG 51 8.277 -12.362 10.780 421 HH21 ARG 51 HH21 ARG 51 5.406 -13.319 12.511 422 HH22 ARG 51 HH22 ARG 51 6.825 -13.859 11.668 423 H LEU 52 HN LEU 52 3.601 -5.366 10.764 424 HA LEU 52 HA LEU 52 1.989 -6.624 8.910 425 HB2 LEU 52 HB2 LEU 52 2.176 -3.605 9.288 426 HB3 LEU 52 HB1 LEU 52 0.843 -4.457 8.518 427 HG LEU 52 HG LEU 52 1.628 -4.553 11.448 428 HD11 LEU 52 HD11 LEU 52 -0.605 -3.638 11.868 429 HD12 LEU 52 HD12 LEU 52 -0.901 -3.555 10.131 430 HD13 LEU 52 HD13 LEU 52 0.366 -2.567 10.859 431 HD21 LEU 52 HD21 LEU 52 1.035 -6.815 10.828 432 HD22 LEU 52 HD22 LEU 52 -0.460 -6.255 10.057 433 HD23 LEU 52 HD23 LEU 52 -0.257 -6.110 11.806 434 H ARG 53 HN ARG 53 4.541 -4.184 8.256 435 HA ARG 53 HA ARG 53 4.164 -4.334 5.383 436 HB2 ARG 53 HB2 ARG 53 6.013 -2.687 7.141 437 HB3 ARG 53 HB1 ARG 53 5.927 -2.543 5.389 438 HG2 ARG 53 HG2 ARG 53 3.603 -1.775 5.535 439 HG3 ARG 53 HG1 ARG 53 3.615 -1.976 7.290 440 HD2 ARG 53 HD2 ARG 53 3.947 0.381 6.626 441 HD3 ARG 53 HD1 ARG 53 5.349 -0.251 7.502 442 HE ARG 53 HE ARG 53 5.181 0.183 4.574 443 HH11 ARG 53 HH11 ARG 53 7.152 -0.176 7.450 444 HH12 ARG 53 HH12 ARG 53 8.634 0.163 6.623 445 HH21 ARG 53 HH21 ARG 53 7.139 0.595 3.499 446 HH22 ARG 53 HH22 ARG 53 8.626 0.590 4.389 447 H GLU 54 HN GLU 54 5.997 -6.277 7.530 448 HA GLU 54 HA GLU 54 8.035 -6.811 5.442 449 HB2 GLU 54 HB2 GLU 54 9.287 -8.096 7.016 450 HB3 GLU 54 HB1 GLU 54 8.794 -6.627 7.848 451 HG2 GLU 54 HG2 GLU 54 6.967 -7.905 8.949 452 HG3 GLU 54 HG1 GLU 54 7.538 -9.365 8.149 453 H VAL 55 HN VAL 55 5.383 -8.228 7.138 454 HA VAL 55 HA VAL 55 5.157 -10.649 5.605 455 HB VAL 55 HB VAL 55 2.902 -8.992 6.857 456 HG11 VAL 55 HG11 VAL 55 2.839 -11.844 5.774 457 HG12 VAL 55 HG12 VAL 55 2.015 -10.448 5.074 458 HG13 VAL 55 HG13 VAL 55 1.524 -11.054 6.654 459 HG21 VAL 55 HG21 VAL 55 4.360 -11.468 7.883 460 HG22 VAL 55 HG22 VAL 55 2.976 -10.700 8.669 461 HG23 VAL 55 HG23 VAL 55 4.504 -9.831 8.530 462 H HIS 56 HN HIS 56 3.730 -7.364 5.204 463 HA HIS 56 HA HIS 56 3.477 -7.669 2.346 464 HB2 HIS 56 HB2 HIS 56 3.245 -5.274 4.201 465 HB3 HIS 56 HB1 HIS 56 3.081 -5.127 2.459 466 HD1 HIS 56 HD1 HIS 56 0.673 -4.755 2.045 467 HD2 HIS 56 HD2 HIS 56 1.288 -7.734 4.879 468 HE1 HIS 56 HE1 HIS 56 -1.613 -5.591 2.652 469 HE2 HIS 56 HE2 HIS 56 -1.206 -7.477 4.264 470 H SER 57 HN SER 57 6.231 -8.245 3.152 471 HA SER 57 HA SER 57 7.476 -6.491 1.138 472 HB2 SER 57 HB2 SER 57 8.254 -5.587 3.329 473 HB3 SER 57 HB1 SER 57 8.884 -7.176 3.760 474 HG SER 57 HG SER 57 10.176 -5.310 2.536 475 H GLN 58 HN GLN 58 8.391 -9.208 3.283 476 HA GLN 58 HA GLN 58 9.663 -10.965 1.582 477 HB2 GLN 58 HB2 GLN 58 7.572 -11.666 3.698 478 HB3 GLN 58 HB1 GLN 58 8.789 -12.773 3.072 479 HG2 GLN 58 HG2 GLN 58 10.535 -11.724 4.257 480 HG3 GLN 58 HG1 GLN 58 9.630 -10.227 4.468 481 HE21 GLN 58 HE21 GLN 58 9.980 -10.202 6.711 482 HE22 GLN 58 HE22 GLN 58 9.185 -11.290 7.790 483 H LYS 59 HN LYS 59 6.198 -10.546 2.131 484 HA LYS 59 HA LYS 59 5.563 -11.536 -0.580 485 HB2 LYS 59 HB2 LYS 59 4.799 -13.082 1.303 486 HB3 LYS 59 HB1 LYS 59 3.859 -11.749 1.950 487 HG2 LYS 59 HG2 LYS 59 2.522 -11.707 -0.167 488 HG3 LYS 59 HG1 LYS 59 3.409 -13.134 -0.718 489 HD2 LYS 59 HD2 LYS 59 1.246 -13.788 0.260 490 HD3 LYS 59 HD1 LYS 59 2.582 -14.400 1.240 491 HE2 LYS 59 HE2 LYS 59 2.270 -12.418 2.784 492 HE3 LYS 59 HE1 LYS 59 0.835 -11.985 1.851 493 HZ1 LYS 59 HZ1 LYS 59 1.270 -14.469 3.405 494 HZ2 LYS 59 HZ2 LYS 59 -0.065 -14.192 2.406 495 HZ3 LYS 59 HZ3 LYS 59 0.192 -13.219 3.763 496 H LEU 60 HN LEU 60 5.993 -9.267 -1.142 497 HA LEU 60 HA LEU 60 5.313 -6.974 0.169 498 HB2 LEU 60 HB2 LEU 60 6.745 -7.195 -1.904 499 HB3 LEU 60 HB1 LEU 60 5.280 -7.195 -2.862 500 HG LEU 60 HG LEU 60 6.069 -4.831 -1.086 501 HD11 LEU 60 HD11 LEU 60 7.880 -5.204 -2.695 502 HD12 LEU 60 HD12 LEU 60 7.003 -3.720 -3.052 503 HD13 LEU 60 HD13 LEU 60 6.720 -5.166 -4.027 504 HD21 LEU 60 HD21 LEU 60 3.706 -4.791 -1.771 505 HD22 LEU 60 HD22 LEU 60 4.171 -4.957 -3.463 506 HD23 LEU 60 HD23 LEU 60 4.601 -3.497 -2.564 507 H SER 61 HN SER 61 3.445 -8.099 -2.582 508 HA SER 61 HA SER 61 0.914 -7.907 -1.182 509 HB2 SER 61 HB2 SER 61 1.453 -6.309 -3.741 510 HB3 SER 61 HB1 SER 61 -0.143 -6.565 -3.040 511 HG SER 61 HG SER 61 1.412 -5.585 -1.130 512 H LYS 62 HN LYS 62 -0.772 -9.059 -2.540 513 HA LYS 62 HA LYS 62 0.107 -11.541 -3.393 514 HB2 LYS 62 HB2 LYS 62 -2.451 -10.095 -4.192 515 HB3 LYS 62 HB1 LYS 62 -2.175 -11.826 -4.398 516 HG2 LYS 62 HG2 LYS 62 -2.019 -12.128 -1.972 517 HG3 LYS 62 HG1 LYS 62 -2.157 -10.387 -1.719 518 HD2 LYS 62 HD2 LYS 62 -4.301 -11.461 -1.247 519 HD3 LYS 62 HD1 LYS 62 -4.447 -10.430 -2.670 520 HE2 LYS 62 HE2 LYS 62 -4.239 -12.434 -4.124 521 HE3 LYS 62 HE1 LYS 62 -4.145 -13.453 -2.686 522 HZ1 LYS 62 HZ1 LYS 62 -6.358 -12.670 -2.073 523 HZ2 LYS 62 HZ2 LYS 62 -6.364 -13.440 -3.574 524 HZ3 LYS 62 HZ3 LYS 62 -6.440 -11.752 -3.488 525 H GLU 63 HN GLU 63 -1.263 -9.155 -5.563 526 HA GLU 63 HA GLU 63 -0.497 -10.033 -8.069 527 HB2 GLU 63 HB2 GLU 63 -1.050 -7.280 -6.977 528 HB3 GLU 63 HB1 GLU 63 -0.449 -7.425 -8.617 529 HG2 GLU 63 HG2 GLU 63 -2.836 -7.244 -8.617 530 HG3 GLU 63 HG1 GLU 63 -2.351 -8.823 -9.225 531 H ALA 64 HN ALA 64 1.374 -7.784 -5.970 532 HA ALA 64 HA ALA 64 3.370 -7.198 -7.889 533 HB1 ALA 64 HB1 ALA 64 2.893 -5.730 -5.952 534 HB2 ALA 64 HB2 ALA 64 4.609 -6.139 -6.026 535 HB3 ALA 64 HB3 ALA 64 3.555 -6.944 -4.855 536 H GLN 65 HN GLN 65 3.586 -9.196 -4.961 537 HA GLN 65 HA GLN 65 5.982 -10.526 -5.201 538 HB2 GLN 65 HB2 GLN 65 4.063 -10.622 -3.393 539 HB3 GLN 65 HB1 GLN 65 3.454 -11.975 -4.319 540 HG2 GLN 65 HG2 GLN 65 6.254 -11.913 -3.186 541 HG3 GLN 65 HG1 GLN 65 4.874 -12.467 -2.246 542 HE21 GLN 65 HE21 GLN 65 7.241 -13.888 -3.021 543 HE22 GLN 65 HE22 GLN 65 6.717 -15.278 -3.915 544 H LYS 66 HN LYS 66 2.865 -11.659 -6.616 545 HA LYS 66 HA LYS 66 3.737 -13.673 -8.283 546 HB2 LYS 66 HB2 LYS 66 1.373 -13.199 -7.953 547 HB3 LYS 66 HB1 LYS 66 1.511 -11.687 -8.847 548 HG2 LYS 66 HG2 LYS 66 2.002 -12.899 -10.910 549 HG3 LYS 66 HG1 LYS 66 2.023 -14.431 -10.041 550 HD2 LYS 66 HD2 LYS 66 -0.405 -14.096 -9.495 551 HD3 LYS 66 HD1 LYS 66 -0.390 -12.622 -10.468 552 HE2 LYS 66 HE2 LYS 66 -1.304 -14.474 -11.775 553 HE3 LYS 66 HE1 LYS 66 0.243 -13.968 -12.456 554 HZ1 LYS 66 HZ1 LYS 66 -0.100 -16.279 -10.627 555 HZ2 LYS 66 HZ2 LYS 66 1.308 -15.848 -11.458 556 HZ3 LYS 66 HZ3 LYS 66 -0.044 -16.398 -12.311 557 H LEU 67 HN LEU 67 3.503 -10.239 -9.224 558 HA LEU 67 HA LEU 67 4.464 -10.297 -11.782 559 HB2 LEU 67 HB2 LEU 67 5.018 -8.155 -9.692 560 HB3 LEU 67 HB1 LEU 67 5.315 -7.945 -11.410 561 HG LEU 67 HG LEU 67 2.576 -8.387 -10.141 562 HD11 LEU 67 HD11 LEU 67 3.492 -6.139 -9.663 563 HD12 LEU 67 HD12 LEU 67 2.077 -6.074 -10.711 564 HD13 LEU 67 HD13 LEU 67 3.695 -5.858 -11.395 565 HD21 LEU 67 HD21 LEU 67 2.727 -9.371 -12.403 566 HD22 LEU 67 HD22 LEU 67 3.262 -7.808 -13.035 567 HD23 LEU 67 HD23 LEU 67 1.645 -7.980 -12.354 568 H MET 68 HN MET 68 6.463 -9.979 -8.897 569 HA MET 68 HA MET 68 8.970 -10.374 -9.862 570 HB2 MET 68 HB2 MET 68 7.934 -11.572 -7.259 571 HB3 MET 68 HB1 MET 68 9.616 -11.208 -7.639 572 HG2 MET 68 HG2 MET 68 9.142 -8.834 -7.706 573 HG3 MET 68 HG1 MET 68 7.416 -9.133 -7.522 574 HE1 MET 68 HE1 MET 68 8.213 -7.416 -4.142 575 HE2 MET 68 HE2 MET 68 7.126 -7.476 -5.526 576 HE3 MET 68 HE3 MET 68 8.812 -7.010 -5.751 577 H LYS 69 HN LYS 69 6.822 -13.194 -8.863 578 HA LYS 69 HA LYS 69 8.709 -15.032 -10.105 579 HB2 LYS 69 HB2 LYS 69 7.252 -16.786 -9.164 580 HB3 LYS 69 HB1 LYS 69 7.675 -15.585 -7.948 581 HG2 LYS 69 HG2 LYS 69 5.428 -14.506 -8.343 582 HG3 LYS 69 HG1 LYS 69 5.018 -15.871 -9.384 583 HD2 LYS 69 HD2 LYS 69 5.315 -17.414 -7.460 584 HD3 LYS 69 HD1 LYS 69 5.723 -16.039 -6.427 585 HE2 LYS 69 HE2 LYS 69 3.445 -15.086 -6.903 586 HE3 LYS 69 HE1 LYS 69 3.055 -16.566 -7.781 587 HZ1 LYS 69 HZ1 LYS 69 3.814 -16.411 -4.918 588 HZ2 LYS 69 HZ2 LYS 69 3.384 -17.815 -5.758 589 HZ3 LYS 69 HZ3 LYS 69 2.240 -16.598 -5.509 590 H MET 70 HN MET 70 7.176 -13.148 -11.895 591 HA MET 70 HA MET 70 5.484 -14.800 -13.532 592 HB2 MET 70 HB2 MET 70 6.747 -12.067 -13.890 593 HB3 MET 70 HB1 MET 70 6.010 -12.874 -15.268 594 HG2 MET 70 HG2 MET 70 4.570 -12.208 -12.692 595 HG3 MET 70 HG1 MET 70 4.500 -11.262 -14.175 596 HE1 MET 70 HE1 MET 70 0.969 -12.698 -14.574 597 HE2 MET 70 HE2 MET 70 2.025 -11.313 -14.886 598 HE3 MET 70 HE3 MET 70 1.736 -11.853 -13.226 599 HA PRO 71 HA PRO 71 8.859 -16.767 -15.806 600 HB2 PRO 71 HB2 PRO 71 7.472 -17.788 -17.931 601 HB3 PRO 71 HB1 PRO 71 7.371 -18.473 -16.305 602 HG2 PRO 71 HG2 PRO 71 5.462 -16.624 -17.714 603 HG3 PRO 71 HG1 PRO 71 5.109 -18.037 -16.695 604 HD2 PRO 71 HD2 PRO 71 4.967 -15.442 -15.788 605 HD3 PRO 71 HD1 PRO 71 5.317 -16.827 -14.734 606 H PHE 72 HN PHE 72 6.629 -14.771 -17.784 607 HA PHE 72 HA PHE 72 8.840 -14.207 -19.722 608 HB2 PHE 72 HB2 PHE 72 5.814 -14.233 -20.211 609 HB3 PHE 72 HB1 PHE 72 7.002 -13.705 -21.389 610 HD1 PHE 72 HD1 PHE 72 8.615 -15.394 -22.367 611 HD2 PHE 72 HD2 PHE 72 5.326 -16.575 -19.905 612 HE1 PHE 72 HE1 PHE 72 8.806 -17.693 -23.215 613 HE2 PHE 72 HE2 PHE 72 5.522 -18.873 -20.761 614 HZ PHE 72 HZ PHE 72 7.259 -19.436 -22.415 615 H GLN 73 HN GLN 73 9.481 -11.889 -19.605 616 HA GLN 73 HA GLN 73 7.699 -9.911 -18.702 617 HB2 GLN 73 HB2 GLN 73 8.491 -9.426 -16.488 618 HB3 GLN 73 HB1 GLN 73 8.070 -11.129 -16.503 619 HG2 GLN 73 HG2 GLN 73 10.914 -10.099 -16.769 620 HG3 GLN 73 HG1 GLN 73 10.170 -10.546 -15.238 621 HE21 GLN 73 HE21 GLN 73 9.653 -12.734 -14.877 622 HE22 GLN 73 HE22 GLN 73 10.414 -14.008 -15.754 623 H ARG 74 HN ARG 74 8.945 -7.945 -18.081 624 HA ARG 74 HA ARG 74 11.638 -7.412 -18.667 625 HB2 ARG 74 HB2 ARG 74 11.669 -6.411 -20.899 626 HB3 ARG 74 HB1 ARG 74 11.101 -8.071 -21.011 627 HG2 ARG 74 HG2 ARG 74 8.744 -7.207 -21.152 628 HG3 ARG 74 HG1 ARG 74 9.389 -5.562 -21.177 629 HD2 ARG 74 HD2 ARG 74 10.639 -6.098 -23.242 630 HD3 ARG 74 HD1 ARG 74 9.970 -7.733 -23.220 631 HE ARG 74 HE ARG 74 8.186 -5.386 -23.382 632 HH11 ARG 74 HH11 ARG 74 9.387 -8.341 -24.813 633 HH12 ARG 74 HH12 ARG 74 8.219 -8.334 -26.093 634 HH21 ARG 74 HH21 ARG 74 6.711 -5.355 -25.115 635 HH22 ARG 74 HH22 ARG 74 6.728 -6.638 -26.280 636 H ALA 75 HN ALA 75 11.841 -4.899 -19.557 637 HA ALA 75 HA ALA 75 9.761 -3.257 -18.285 638 HB1 ALA 75 HB1 ALA 75 11.884 -3.019 -17.023 639 HB2 ALA 75 HB2 ALA 75 11.536 -1.541 -17.921 640 HB3 ALA 75 HB3 ALA 75 12.747 -2.675 -18.523 641 H ILE 76 HN ILE 76 8.917 -1.709 -19.940 642 HA ILE 76 HA ILE 76 9.098 -3.069 -22.482 643 HB ILE 76 HB ILE 76 7.307 -0.732 -21.637 644 HG12 ILE 76 HG12 ILE 76 6.917 -2.696 -20.133 645 HG13 ILE 76 HG11 ILE 76 5.517 -2.367 -21.146 646 HG21 ILE 76 HG21 ILE 76 5.856 -1.431 -23.517 647 HG22 ILE 76 HG22 ILE 76 7.016 -2.687 -23.950 648 HG23 ILE 76 HG23 ILE 76 7.471 -0.985 -24.071 649 HD11 ILE 76 HD11 ILE 76 5.930 -4.752 -20.919 650 HD12 ILE 76 HD12 ILE 76 7.545 -4.563 -21.599 651 HD13 ILE 76 HD13 ILE 76 6.123 -4.247 -22.596 652 H THR 77 HN THR 77 10.149 -2.244 -24.186 653 HA THR 77 HA THR 77 11.841 0.056 -24.018 654 HB THR 77 HB THR 77 12.411 -0.480 -26.412 655 HG1 THR 77 HG1 THR 77 11.411 -2.229 -27.411 656 HG21 THR 77 HG21 THR 77 13.434 -2.686 -26.018 657 HG22 THR 77 HG22 THR 77 12.424 -2.905 -24.589 658 HG23 THR 77 HG23 THR 77 13.646 -1.632 -24.616 659 H LYS 78 HN LYS 78 11.739 1.916 -25.362 660 HA LYS 78 HA LYS 78 9.287 3.214 -25.763 661 HB2 LYS 78 HB2 LYS 78 11.504 4.348 -25.589 662 HB3 LYS 78 HB1 LYS 78 11.939 3.718 -27.173 663 HG2 LYS 78 HG2 LYS 78 10.012 5.033 -28.146 664 HG3 LYS 78 HG1 LYS 78 9.762 5.745 -26.551 665 HD2 LYS 78 HD2 LYS 78 11.060 7.289 -27.930 666 HD3 LYS 78 HD1 LYS 78 12.077 6.673 -26.623 667 HE2 LYS 78 HE2 LYS 78 13.084 5.035 -28.212 668 HE3 LYS 78 HE1 LYS 78 12.094 5.707 -29.509 669 HZ1 LYS 78 HZ1 LYS 78 14.302 6.607 -29.560 670 HZ2 LYS 78 HZ2 LYS 78 14.173 7.140 -27.966 671 HZ3 LYS 78 HZ3 LYS 78 13.207 7.828 -29.165 672 H LYS 79 HN LYS 79 11.100 1.112 -27.783 673 HA LYS 79 HA LYS 79 9.896 1.269 -30.315 674 HB2 LYS 79 HB2 LYS 79 11.982 -0.009 -29.703 675 HB3 LYS 79 HB1 LYS 79 10.992 -1.219 -28.913 676 HG2 LYS 79 HG2 LYS 79 10.692 -0.612 -31.872 677 HG3 LYS 79 HG1 LYS 79 11.928 -1.721 -31.281 678 HD2 LYS 79 HD2 LYS 79 10.178 -3.151 -30.287 679 HD3 LYS 79 HD1 LYS 79 8.938 -2.026 -30.840 680 HE2 LYS 79 HE2 LYS 79 9.640 -2.481 -33.201 681 HE3 LYS 79 HE1 LYS 79 10.764 -3.705 -32.596 682 HZ1 LYS 79 HZ1 LYS 79 8.912 -4.920 -31.684 683 HZ2 LYS 79 HZ2 LYS 79 8.631 -4.636 -33.327 684 HZ3 LYS 79 HZ3 LYS 79 7.823 -3.718 -32.156 685 H GLU 80 HN GLU 80 9.029 -0.840 -27.539 686 HA GLU 80 HA GLU 80 6.516 -1.717 -28.779 687 HB2 GLU 80 HB2 GLU 80 7.969 -2.443 -26.216 688 HB3 GLU 80 HB1 GLU 80 6.328 -2.993 -26.536 689 HG2 GLU 80 HG2 GLU 80 8.695 -3.577 -28.347 690 HG3 GLU 80 HG1 GLU 80 8.125 -4.663 -27.080 691 H GLN 81 HN GLN 81 7.483 0.886 -26.606 692 HA GLN 81 HA GLN 81 4.809 1.529 -25.916 693 HB2 GLN 81 HB2 GLN 81 7.276 3.297 -26.072 694 HB3 GLN 81 HB1 GLN 81 5.740 3.779 -25.351 695 HG2 GLN 81 HG2 GLN 81 5.950 2.051 -23.639 696 HG3 GLN 81 HG1 GLN 81 7.422 1.438 -24.389 697 HE21 GLN 81 HE21 GLN 81 8.678 1.761 -22.555 698 HE22 GLN 81 HE22 GLN 81 9.127 3.332 -21.988 699 H ALA 82 HN ALA 82 6.750 2.347 -28.720 700 HA ALA 82 HA ALA 82 4.782 3.778 -30.152 701 HB1 ALA 82 HB1 ALA 82 7.134 3.734 -30.891 702 HB2 ALA 82 HB2 ALA 82 6.060 3.239 -32.203 703 HB3 ALA 82 HB3 ALA 82 6.983 2.026 -31.312 704 H ASP 83 HN ASP 83 5.473 0.357 -29.876 705 HA ASP 83 HA ASP 83 3.096 -0.399 -31.430 706 HB2 ASP 83 HB2 ASP 83 5.246 -2.177 -30.203 707 HB3 ASP 83 HB1 ASP 83 3.985 -2.683 -31.317 708 H MET 84 HN MET 84 3.094 0.823 -28.570 709 HA MET 84 HA MET 84 2.572 -1.113 -26.635 710 HB2 MET 84 HB2 MET 84 2.989 1.250 -26.081 711 HB3 MET 84 HB1 MET 84 1.450 1.707 -26.802 712 HG2 MET 84 HG2 MET 84 1.341 1.644 -24.348 713 HG3 MET 84 HG1 MET 84 0.237 0.482 -25.084 714 HE1 MET 84 HE1 MET 84 3.474 1.034 -23.003 715 HE2 MET 84 HE2 MET 84 4.198 0.216 -24.393 716 HE3 MET 84 HE3 MET 84 4.119 -0.600 -22.831 717 H GLY 85 HN GLY 85 0.416 0.349 -28.991 718 HA2 GLY 85 HA2 GLY 85 -2.050 -0.510 -27.898 719 HA3 GLY 85 HA1 GLY 85 -1.737 -0.051 -29.576 720 H LYS 86 HN LYS 86 0.208 -1.946 -30.355 721 HA LYS 86 HA LYS 86 -1.412 -4.200 -30.979 722 HB2 LYS 86 HB2 LYS 86 0.215 -3.336 -32.573 723 HB3 LYS 86 HB1 LYS 86 1.519 -3.444 -31.412 724 HG2 LYS 86 HG2 LYS 86 0.130 -5.964 -32.330 725 HG3 LYS 86 HG1 LYS 86 1.313 -5.193 -33.383 726 HD2 LYS 86 HD2 LYS 86 1.840 -6.166 -30.546 727 HD3 LYS 86 HD1 LYS 86 2.308 -7.015 -32.023 728 HE2 LYS 86 HE2 LYS 86 3.806 -5.156 -32.621 729 HE3 LYS 86 HE1 LYS 86 3.288 -4.258 -31.194 730 HZ1 LYS 86 HZ1 LYS 86 4.256 -5.937 -29.791 731 HZ2 LYS 86 HZ2 LYS 86 5.420 -5.376 -30.881 732 HZ3 LYS 86 HZ3 LYS 86 4.677 -6.871 -31.131 733 H LEU 87 HN LEU 87 1.755 -3.957 -29.238 734 HA LEU 87 HA LEU 87 2.115 -5.963 -27.791 735 HB2 LEU 87 HB2 LEU 87 3.435 -3.990 -27.501 736 HB3 LEU 87 HB1 LEU 87 2.119 -3.141 -26.715 737 HG LEU 87 HG LEU 87 2.297 -4.712 -24.771 738 HD11 LEU 87 HD11 LEU 87 4.276 -6.164 -24.529 739 HD12 LEU 87 HD12 LEU 87 4.763 -5.786 -26.184 740 HD13 LEU 87 HD13 LEU 87 3.265 -6.672 -25.883 741 HD21 LEU 87 HD21 LEU 87 4.859 -3.235 -25.450 742 HD22 LEU 87 HD22 LEU 87 4.378 -3.782 -23.840 743 HD23 LEU 87 HD23 LEU 87 3.425 -2.555 -24.671 744 H LYS 88 HN LYS 88 -0.708 -3.826 -26.713 745 HA LYS 88 HA LYS 88 -0.629 -5.137 -24.100 746 HB2 LYS 88 HB2 LYS 88 -2.055 -2.734 -25.293 747 HB3 LYS 88 HB1 LYS 88 -2.793 -3.544 -23.919 748 HG2 LYS 88 HG2 LYS 88 -0.693 -3.144 -22.610 749 HG3 LYS 88 HG1 LYS 88 -0.066 -2.205 -23.975 750 HD2 LYS 88 HD2 LYS 88 -1.691 -0.494 -23.696 751 HD3 LYS 88 HD1 LYS 88 -2.751 -1.517 -22.732 752 HE2 LYS 88 HE2 LYS 88 -1.756 0.158 -21.315 753 HE3 LYS 88 HE1 LYS 88 -1.098 -1.417 -20.869 754 HZ1 LYS 88 HZ1 LYS 88 0.882 -0.867 -22.175 755 HZ2 LYS 88 HZ2 LYS 88 0.615 0.233 -20.921 756 HZ3 LYS 88 HZ3 LYS 88 0.236 0.658 -22.509 757 H LYS 89 HN LYS 89 -2.510 -4.835 -27.092 758 HA LYS 89 HA LYS 89 -4.849 -6.201 -26.135 759 HB2 LYS 89 HB2 LYS 89 -5.703 -5.969 -28.428 760 HB3 LYS 89 HB1 LYS 89 -5.003 -4.449 -27.885 761 HG2 LYS 89 HG2 LYS 89 -2.940 -4.981 -29.174 762 HG3 LYS 89 HG1 LYS 89 -3.715 -6.445 -29.765 763 HD2 LYS 89 HD2 LYS 89 -4.786 -3.642 -30.279 764 HD3 LYS 89 HD1 LYS 89 -3.698 -4.494 -31.371 765 HE2 LYS 89 HE2 LYS 89 -5.863 -4.805 -32.265 766 HE3 LYS 89 HE1 LYS 89 -5.465 -6.329 -31.481 767 HZ1 LYS 89 HZ1 LYS 89 -7.208 -4.200 -30.372 768 HZ2 LYS 89 HZ2 LYS 89 -6.834 -5.651 -29.595 769 HZ3 LYS 89 HZ3 LYS 89 -7.727 -5.671 -31.026 770 H SER 90 HN SER 90 -2.058 -7.093 -28.149 771 HA SER 90 HA SER 90 -2.832 -9.524 -29.235 772 HB2 SER 90 HB2 SER 90 -0.721 -8.166 -29.744 773 HB3 SER 90 HB1 SER 90 -0.005 -8.837 -28.271 774 HG SER 90 HG SER 90 0.580 -10.048 -30.114 775 H VAL 91 HN VAL 91 -0.717 -9.109 -26.416 776 HA VAL 91 HA VAL 91 -0.698 -11.601 -25.223 777 HB VAL 91 HB VAL 91 -0.934 -9.027 -23.593 778 HG11 VAL 91 HG11 VAL 91 0.625 -11.589 -23.068 779 HG12 VAL 91 HG12 VAL 91 -0.859 -11.083 -22.256 780 HG13 VAL 91 HG13 VAL 91 0.629 -10.159 -22.031 781 HG21 VAL 91 HG21 VAL 91 1.538 -10.043 -25.027 782 HG22 VAL 91 HG22 VAL 91 1.506 -8.725 -23.855 783 HG23 VAL 91 HG23 VAL 91 0.645 -8.563 -25.381 784 H ARG 92 HN ARG 92 -3.224 -9.203 -25.202 785 HA ARG 92 HA ARG 92 -5.445 -9.294 -24.915 786 HB2 ARG 92 HB2 ARG 92 -5.218 -11.844 -25.263 787 HB3 ARG 92 HB1 ARG 92 -5.278 -11.991 -23.516 788 HG2 ARG 92 HG2 ARG 92 -7.517 -10.400 -24.650 789 HG3 ARG 92 HG1 ARG 92 -7.459 -12.054 -25.241 790 HD2 ARG 92 HD2 ARG 92 -8.894 -12.074 -23.348 791 HD3 ARG 92 HD1 ARG 92 -7.380 -12.801 -22.808 792 HE ARG 92 HE ARG 92 -7.409 -10.006 -22.273 793 HH11 ARG 92 HH11 ARG 92 -8.822 -12.987 -21.058 794 HH12 ARG 92 HH12 ARG 92 -8.971 -12.385 -19.437 795 HH21 ARG 92 HH21 ARG 92 -7.598 -9.250 -20.150 796 HH22 ARG 92 HH22 ARG 92 -8.286 -10.271 -18.925 797 H GLY 93 HN GLY 93 -3.449 -10.394 -22.222 798 HA2 GLY 93 HA2 GLY 93 -4.345 -8.112 -20.642 799 HA3 GLY 93 HA1 GLY 93 -4.649 -9.705 -19.955 800 H LEU 94 HN LEU 94 -1.950 -7.627 -21.269 801 HA LEU 94 HA LEU 94 0.094 -8.970 -19.790 802 HB2 LEU 94 HB2 LEU 94 0.608 -8.004 -21.928 803 HB3 LEU 94 HB1 LEU 94 -0.255 -6.524 -21.573 804 HG LEU 94 HG LEU 94 1.615 -5.883 -20.011 805 HD11 LEU 94 HD11 LEU 94 3.077 -8.249 -21.201 806 HD12 LEU 94 HD12 LEU 94 2.510 -8.116 -19.535 807 HD13 LEU 94 HD13 LEU 94 3.753 -7.017 -20.127 808 HD21 LEU 94 HD21 LEU 94 1.507 -4.994 -22.294 809 HD22 LEU 94 HD22 LEU 94 2.405 -6.388 -22.900 810 HD23 LEU 94 HD23 LEU 94 3.180 -5.244 -21.802 811 H VAL 95 HN VAL 95 1.427 -7.293 -18.383 812 HA VAL 95 HA VAL 95 -0.301 -5.634 -16.664 813 HB VAL 95 HB VAL 95 2.070 -7.228 -15.550 814 HG11 VAL 95 HG11 VAL 95 1.728 -5.055 -14.438 815 HG12 VAL 95 HG12 VAL 95 1.278 -6.360 -13.344 816 HG13 VAL 95 HG13 VAL 95 0.024 -5.430 -14.165 817 HG21 VAL 95 HG21 VAL 95 0.188 -8.764 -16.026 818 HG22 VAL 95 HG22 VAL 95 -0.914 -7.727 -15.118 819 HG23 VAL 95 HG23 VAL 95 0.396 -8.567 -14.285 820 H VAL 96 HN VAL 96 0.594 -3.613 -16.390 821 HA VAL 96 HA VAL 96 3.263 -2.988 -17.456 822 HB VAL 96 HB VAL 96 0.825 -1.334 -18.312 823 HG11 VAL 96 HG11 VAL 96 2.428 -0.221 -19.879 824 HG12 VAL 96 HG12 VAL 96 3.746 -1.162 -19.171 825 HG13 VAL 96 HG13 VAL 96 2.868 0.009 -18.183 826 HG21 VAL 96 HG21 VAL 96 0.744 -3.512 -19.470 827 HG22 VAL 96 HG22 VAL 96 2.407 -3.301 -20.023 828 HG23 VAL 96 HG23 VAL 96 1.137 -2.220 -20.605 829 H VAL 97 HN VAL 97 4.230 -1.327 -16.253 830 HA VAL 97 HA VAL 97 2.766 -0.098 -14.009 831 HB VAL 97 HB VAL 97 5.456 -1.544 -13.665 832 HG11 VAL 97 HG11 VAL 97 5.126 -1.152 -11.239 833 HG12 VAL 97 HG12 VAL 97 3.633 -0.276 -11.583 834 HG13 VAL 97 HG13 VAL 97 5.177 0.363 -12.146 835 HG21 VAL 97 HG21 VAL 97 2.733 -2.523 -12.693 836 HG22 VAL 97 HG22 VAL 97 4.289 -3.268 -12.319 837 HG23 VAL 97 HG23 VAL 97 3.696 -3.254 -13.979 838 H HIS 98 HN HIS 98 3.420 2.094 -13.842 839 HA HIS 98 HA HIS 98 5.489 3.006 -15.733 840 HB2 HIS 98 HB2 HIS 98 3.154 3.954 -15.856 841 HB3 HIS 98 HB1 HIS 98 3.350 4.574 -14.224 842 HD2 HIS 98 HD2 HIS 98 4.353 5.407 -17.871 843 HE1 HIS 98 HE1 HIS 98 5.794 8.480 -15.363 844 HE2 HIS 98 HE2 HIS 98 5.268 7.824 -17.741 845 HA PRO 99 HA PRO 99 8.271 3.651 -12.235 846 HB2 PRO 99 HB2 PRO 99 10.021 5.492 -13.223 847 HB3 PRO 99 HB1 PRO 99 9.953 3.832 -13.830 848 HG2 PRO 99 HG2 PRO 99 8.687 6.314 -14.988 849 HG3 PRO 99 HG1 PRO 99 9.650 5.063 -15.811 850 HD2 PRO 99 HD2 PRO 99 6.944 5.060 -15.886 851 HD3 PRO 99 HD1 PRO 99 7.873 3.550 -15.858 852 H MET 100 HN MET 100 6.914 6.649 -13.645 853 HA MET 100 HA MET 100 7.588 8.160 -11.229 854 HB2 MET 100 HB2 MET 100 6.207 9.149 -13.753 855 HB3 MET 100 HB1 MET 100 6.812 10.147 -12.431 856 HG2 MET 100 HG2 MET 100 9.110 9.306 -12.926 857 HG3 MET 100 HG1 MET 100 8.463 8.476 -14.339 858 HE1 MET 100 HE1 MET 100 7.279 11.524 -16.556 859 HE2 MET 100 HE2 MET 100 6.278 10.661 -15.391 860 HE3 MET 100 HE3 MET 100 7.378 9.767 -16.440 861 H THR 101 HN THR 101 4.998 6.283 -12.288 862 HA THR 101 HA THR 101 3.024 7.519 -10.543 863 HB THR 101 HB THR 101 1.692 5.443 -10.854 864 HG1 THR 101 HG1 THR 101 4.087 4.427 -11.611 865 HG21 THR 101 HG21 THR 101 2.798 6.543 -13.458 866 HG22 THR 101 HG22 THR 101 1.398 7.152 -12.568 867 HG23 THR 101 HG23 THR 101 1.342 5.552 -13.316 868 H ALA 102 HN ALA 102 2.196 6.347 -8.671 869 HA ALA 102 HA ALA 102 4.080 6.157 -6.688 870 HB1 ALA 102 HB1 ALA 102 1.291 4.950 -6.674 871 HB2 ALA 102 HB2 ALA 102 1.696 6.625 -6.293 872 HB3 ALA 102 HB3 ALA 102 2.268 5.321 -5.252 873 H LEU 103 HN LEU 103 2.501 3.473 -8.314 874 HA LEU 103 HA LEU 103 3.316 1.296 -6.608 875 HB2 LEU 103 HB2 LEU 103 1.472 1.080 -8.291 876 HB3 LEU 103 HB1 LEU 103 2.668 1.096 -9.572 877 HG LEU 103 HG LEU 103 3.651 -1.025 -8.665 878 HD11 LEU 103 HD11 LEU 103 2.431 -2.346 -6.986 879 HD12 LEU 103 HD12 LEU 103 1.297 -1.016 -6.743 880 HD13 LEU 103 HD13 LEU 103 2.996 -0.820 -6.310 881 HD21 LEU 103 HD21 LEU 103 1.840 -2.535 -9.415 882 HD22 LEU 103 HD22 LEU 103 2.029 -1.156 -10.496 883 HD23 LEU 103 HD23 LEU 103 0.692 -1.195 -9.344 884 H GLY 104 HN GLY 104 4.688 2.348 -9.771 885 HA2 GLY 104 HA2 GLY 104 7.029 0.860 -9.876 886 HA3 GLY 104 HA1 GLY 104 6.873 2.480 -10.527 887 H ARG 105 HN ARG 105 6.514 3.835 -8.318 888 HA ARG 105 HA ARG 105 9.162 4.362 -7.218 889 HB2 ARG 105 HB2 ARG 105 6.502 5.359 -6.106 890 HB3 ARG 105 HB1 ARG 105 8.083 6.029 -5.721 891 HG2 ARG 105 HG2 ARG 105 7.068 5.966 -8.568 892 HG3 ARG 105 HG1 ARG 105 6.569 7.241 -7.478 893 HD2 ARG 105 HD2 ARG 105 9.430 6.603 -8.241 894 HD3 ARG 105 HD1 ARG 105 8.459 7.922 -8.894 895 HE ARG 105 HE ARG 105 8.693 7.974 -6.018 896 HH11 ARG 105 HH11 ARG 105 10.278 9.010 -8.987 897 HH12 ARG 105 HH12 ARG 105 11.144 10.294 -8.208 898 HH21 ARG 105 HH21 ARG 105 9.813 9.654 -5.031 899 HH22 ARG 105 HH22 ARG 105 10.879 10.662 -5.959 900 H GLU 106 HN GLU 106 6.340 2.753 -5.990 901 HA GLU 106 HA GLU 106 7.224 1.934 -3.456 902 HB2 GLU 106 HB2 GLU 106 4.848 1.420 -5.135 903 HB3 GLU 106 HB1 GLU 106 5.230 0.093 -4.062 904 HG2 GLU 106 HG2 GLU 106 3.624 1.558 -3.008 905 HG3 GLU 106 HG1 GLU 106 5.146 1.643 -2.124 906 H MET 107 HN MET 107 7.789 0.404 -6.558 907 HA MET 107 HA MET 107 9.134 -1.827 -5.103 908 HB2 MET 107 HB2 MET 107 8.143 -1.815 -7.994 909 HB3 MET 107 HB1 MET 107 9.061 -3.114 -7.252 910 HG2 MET 107 HG2 MET 107 7.126 -3.232 -5.520 911 HG3 MET 107 HG1 MET 107 6.217 -2.264 -6.676 912 HE1 MET 107 HE1 MET 107 5.372 -3.179 -9.033 913 HE2 MET 107 HE2 MET 107 5.811 -4.759 -9.684 914 HE3 MET 107 HE3 MET 107 7.032 -3.490 -9.560 915 H GLY 108 HN GLY 108 9.724 1.099 -6.448 916 HA2 GLY 108 HA2 GLY 108 11.703 2.244 -6.718 917 HA3 GLY 108 HA1 GLY 108 12.575 0.774 -6.318 918 H LEU 109 HN LEU 109 10.493 1.893 -8.980 919 HA LEU 109 HA LEU 109 12.323 0.744 -10.993 920 HB2 LEU 109 HB2 LEU 109 9.368 1.434 -11.347 921 HB3 LEU 109 HB1 LEU 109 10.383 0.522 -12.457 922 HG LEU 109 HG LEU 109 9.479 -0.440 -9.706 923 HD11 LEU 109 HD11 LEU 109 7.606 -0.323 -11.305 924 HD12 LEU 109 HD12 LEU 109 8.000 -1.984 -10.884 925 HD13 LEU 109 HD13 LEU 109 8.509 -1.331 -12.442 926 HD21 LEU 109 HD21 LEU 109 10.378 -2.635 -10.356 927 HD22 LEU 109 HD22 LEU 109 11.651 -1.419 -10.323 928 HD23 LEU 109 HD23 LEU 109 10.986 -1.957 -11.868 929 H GLU 110 HN GLU 110 13.254 2.177 -12.382 930 HA GLU 110 HA GLU 110 12.316 5.005 -12.447 931 HB2 GLU 110 HB2 GLU 110 14.635 5.587 -13.092 932 HB3 GLU 110 HB1 GLU 110 14.565 4.786 -11.526 933 HG2 GLU 110 HG2 GLU 110 15.329 2.693 -12.524 934 HG3 GLU 110 HG1 GLU 110 15.319 3.427 -14.125 935 H GLU 111 HN GLU 111 12.017 2.283 -14.091 936 HA GLU 111 HA GLU 111 11.553 3.632 -16.683 937 HB2 GLU 111 HB2 GLU 111 12.487 1.727 -17.939 938 HB3 GLU 111 HB1 GLU 111 13.713 2.479 -16.932 939 HG2 GLU 111 HG2 GLU 111 12.251 -0.081 -16.191 940 HG3 GLU 111 HG1 GLU 111 13.797 -0.033 -17.027 941 H MET 112 HN MET 112 9.815 2.701 -17.947 942 HA MET 112 HA MET 112 7.663 1.637 -16.419 943 HB2 MET 112 HB2 MET 112 7.050 2.980 -18.325 944 HB3 MET 112 HB1 MET 112 8.052 2.022 -19.409 945 HG2 MET 112 HG2 MET 112 6.528 0.174 -19.337 946 HG3 MET 112 HG1 MET 112 5.619 0.889 -18.010 947 HE1 MET 112 HE1 MET 112 4.921 3.753 -18.643 948 HE2 MET 112 HE2 MET 112 3.700 2.536 -18.260 949 HE3 MET 112 HE3 MET 112 3.485 3.596 -19.652 950 H THR 113 HN THR 113 7.335 -0.333 -15.910 951 HA THR 113 HA THR 113 8.873 -2.526 -17.149 952 HB THR 113 HB THR 113 7.590 -2.578 -14.385 953 HG1 THR 113 HG1 THR 113 9.372 -0.916 -14.907 954 HG21 THR 113 HG21 THR 113 9.852 -4.224 -15.594 955 HG22 THR 113 HG22 THR 113 8.207 -4.798 -15.306 956 HG23 THR 113 HG23 THR 113 9.238 -4.360 -13.943 957 H GLY 114 HN GLY 114 7.697 -4.399 -18.040 958 HA2 GLY 114 HA2 GLY 114 4.965 -4.772 -16.959 959 HA3 GLY 114 HA1 GLY 114 5.363 -4.962 -18.660 960 H PHE 115 HN PHE 115 4.103 -7.156 -17.783 961 HA PHE 115 HA PHE 115 6.001 -9.213 -17.200 962 HB2 PHE 115 HB2 PHE 115 3.906 -8.549 -15.065 963 HB3 PHE 115 HB1 PHE 115 5.031 -9.890 -15.039 964 HD1 PHE 115 HD2 PHE 115 7.445 -9.475 -14.524 965 HD2 PHE 115 HD1 PHE 115 4.521 -6.363 -14.262 966 HE1 PHE 115 HE2 PHE 115 8.961 -8.159 -13.108 967 HE2 PHE 115 HE1 PHE 115 6.048 -5.050 -12.842 968 HZ PHE 115 HZ PHE 115 8.265 -5.955 -12.255 969 H SER 116 HN SER 116 4.919 -11.078 -18.344 970 HA SER 116 HA SER 116 2.226 -11.589 -17.293 971 HB2 SER 116 HB2 SER 116 3.250 -11.642 -20.155 972 HB3 SER 116 HB1 SER 116 1.818 -12.552 -19.702 973 HG SER 116 HG SER 116 1.421 -10.184 -18.737 974 H LYS 117 HN LYS 117 1.478 -13.797 -17.777 975 HA LYS 117 HA LYS 117 3.385 -15.932 -17.259 976 HB2 LYS 117 HB2 LYS 117 0.370 -15.865 -17.680 977 HB3 LYS 117 HB1 LYS 117 1.266 -17.348 -17.370 978 HG2 LYS 117 HG2 LYS 117 1.332 -14.997 -15.460 979 HG3 LYS 117 HG1 LYS 117 0.087 -16.235 -15.371 980 HD2 LYS 117 HD2 LYS 117 3.059 -16.892 -15.237 981 HD3 LYS 117 HD1 LYS 117 2.108 -16.505 -13.805 982 HE2 LYS 117 HE2 LYS 117 2.252 -18.910 -13.964 983 HE3 LYS 117 HE1 LYS 117 0.598 -18.456 -14.359 984 HZ1 LYS 117 HZ1 LYS 117 1.508 -20.166 -15.824 985 HZ2 LYS 117 HZ2 LYS 117 2.701 -19.094 -16.352 986 HZ3 LYS 117 HZ3 LYS 117 1.073 -18.778 -16.673 987 H THR 118 HN THR 118 2.131 -14.315 -19.949 988 HA THR 118 HA THR 118 2.674 -16.505 -21.861 989 HB THR 118 HB THR 118 1.102 -15.237 -23.402 990 HG1 THR 118 HG1 THR 118 -0.139 -13.581 -22.533 991 HG21 THR 118 HG21 THR 118 0.192 -17.156 -22.145 992 HG22 THR 118 HG22 THR 118 -1.021 -15.880 -22.278 993 HG23 THR 118 HG23 THR 118 -0.147 -16.110 -20.761 994 H THR 119 HN THR 119 3.767 -15.830 -23.832 995 HA THR 119 HA THR 119 5.833 -13.892 -23.341 996 HB THR 119 HB THR 119 6.388 -15.976 -24.515 997 HG1 THR 119 HG1 THR 119 7.794 -15.023 -25.854 998 HG21 THR 119 HG21 THR 119 5.765 -16.371 -26.870 999 HG22 THR 119 HG22 THR 119 4.699 -14.965 -26.835 1000 HG23 THR 119 HG23 THR 119 4.346 -16.368 -25.825 1001 H PHE 120 HN PHE 120 6.055 -11.890 -24.115 1002 HA PHE 120 HA PHE 120 4.319 -10.824 -26.248 1003 HB2 PHE 120 HB2 PHE 120 4.088 -8.696 -24.933 1004 HB3 PHE 120 HB1 PHE 120 3.272 -10.071 -24.219 1005 HD1 PHE 120 HD1 PHE 120 4.410 -11.259 -22.220 1006 HD2 PHE 120 HD2 PHE 120 5.666 -7.433 -23.668 1007 HE1 PHE 120 HE1 PHE 120 5.528 -10.802 -20.082 1008 HE2 PHE 120 HE2 PHE 120 6.780 -7.000 -21.521 1009 HZ PHE 120 HZ PHE 120 6.717 -8.678 -19.729 Start of MODEL 11 1 H MET 1 HT1 MET 1 -14.660 -5.129 -4.671 2 HA MET 1 HA MET 1 -12.775 -3.517 -6.277 3 HB2 MET 1 HB2 MET 1 -15.030 -3.663 -7.302 4 HB3 MET 1 HB1 MET 1 -15.772 -3.161 -5.789 5 HG2 MET 1 HG2 MET 1 -14.626 -0.962 -5.992 6 HG3 MET 1 HG1 MET 1 -13.954 -1.478 -7.539 7 HE1 MET 1 HE1 MET 1 -17.182 -1.751 -9.770 8 HE2 MET 1 HE2 MET 1 -16.399 -3.059 -8.885 9 HE3 MET 1 HE3 MET 1 -15.423 -1.867 -9.748 10 H LYS 2 HN LYS 2 -14.752 -3.854 -3.346 11 HA LYS 2 HA LYS 2 -13.698 -1.293 -2.296 12 HB2 LYS 2 HB2 LYS 2 -16.186 -2.859 -1.470 13 HB3 LYS 2 HB1 LYS 2 -15.678 -1.320 -0.776 14 HG2 LYS 2 HG2 LYS 2 -16.559 -1.815 -3.645 15 HG3 LYS 2 HG1 LYS 2 -17.456 -0.932 -2.403 16 HD2 LYS 2 HD2 LYS 2 -15.726 0.826 -2.374 17 HD3 LYS 2 HD1 LYS 2 -14.754 -0.083 -3.533 18 HE2 LYS 2 HE2 LYS 2 -15.904 1.735 -4.668 19 HE3 LYS 2 HE1 LYS 2 -16.554 0.191 -5.223 20 HZ1 LYS 2 HZ1 LYS 2 -18.436 0.496 -3.753 21 HZ2 LYS 2 HZ2 LYS 2 -18.290 1.822 -4.792 22 HZ3 LYS 2 HZ3 LYS 2 -17.792 1.947 -3.180 23 H GLU 3 HN GLU 3 -14.861 -4.281 -0.702 24 HA GLU 3 HA GLU 3 -14.057 -5.670 0.854 25 HB2 GLU 3 HB2 GLU 3 -11.357 -4.815 -0.254 26 HB3 GLU 3 HB1 GLU 3 -11.527 -6.057 0.977 27 HG2 GLU 3 HG2 GLU 3 -11.263 -7.145 -1.136 28 HG3 GLU 3 HG1 GLU 3 -12.926 -7.385 -0.605 29 H VAL 4 HN VAL 4 -13.884 -5.645 3.005 30 HA VAL 4 HA VAL 4 -13.518 -3.154 4.424 31 HB VAL 4 HB VAL 4 -14.107 -4.407 6.459 32 HG11 VAL 4 HG11 VAL 4 -15.958 -3.658 5.049 33 HG12 VAL 4 HG12 VAL 4 -16.378 -5.184 5.823 34 HG13 VAL 4 HG13 VAL 4 -15.900 -5.157 4.124 35 HG21 VAL 4 HG21 VAL 4 -14.018 -6.922 4.745 36 HG22 VAL 4 HG22 VAL 4 -14.590 -6.837 6.412 37 HG23 VAL 4 HG23 VAL 4 -12.897 -6.510 6.046 38 H GLU 5 HN GLU 5 -11.471 -5.610 3.466 39 HA GLU 5 HA GLU 5 -9.488 -5.843 5.423 40 HB2 GLU 5 HB2 GLU 5 -9.522 -7.191 3.336 41 HB3 GLU 5 HB1 GLU 5 -9.053 -5.772 2.405 42 HG2 GLU 5 HG2 GLU 5 -6.901 -5.690 3.622 43 HG3 GLU 5 HG1 GLU 5 -7.373 -7.115 4.546 44 H LYS 6 HN LYS 6 -9.527 -3.533 2.728 45 HA LYS 6 HA LYS 6 -7.483 -1.787 3.390 46 HB2 LYS 6 HB2 LYS 6 -10.249 -1.106 2.310 47 HB3 LYS 6 HB1 LYS 6 -8.961 0.079 2.450 48 HG2 LYS 6 HG2 LYS 6 -8.894 -0.531 0.215 49 HG3 LYS 6 HG1 LYS 6 -7.589 -1.487 0.918 50 HD2 LYS 6 HD2 LYS 6 -8.948 -3.491 0.848 51 HD3 LYS 6 HD1 LYS 6 -10.386 -2.561 0.421 52 HE2 LYS 6 HE2 LYS 6 -9.223 -1.900 -1.727 53 HE3 LYS 6 HE1 LYS 6 -7.939 -3.042 -1.316 54 HZ1 LYS 6 HZ1 LYS 6 -9.568 -4.007 -2.820 55 HZ2 LYS 6 HZ2 LYS 6 -10.807 -3.721 -1.705 56 HZ3 LYS 6 HZ3 LYS 6 -9.577 -4.813 -1.333 57 H ASN 7 HN ASN 7 -10.742 -1.912 4.825 58 HA ASN 7 HA ASN 7 -10.443 0.431 6.458 59 HB2 ASN 7 HB2 ASN 7 -12.413 -1.861 6.839 60 HB3 ASN 7 HB1 ASN 7 -12.527 -0.262 7.571 61 HD21 ASN 7 HD21 ASN 7 -14.451 -1.625 5.838 62 HD22 ASN 7 HD22 ASN 7 -14.682 -0.600 4.464 63 H GLU 8 HN GLU 8 -9.660 -2.969 6.961 64 HA GLU 8 HA GLU 8 -8.996 -2.901 9.717 65 HB2 GLU 8 HB2 GLU 8 -8.045 -4.654 7.436 66 HB3 GLU 8 HB1 GLU 8 -7.151 -4.711 8.945 67 HG2 GLU 8 HG2 GLU 8 -8.698 -6.513 8.926 68 HG3 GLU 8 HG1 GLU 8 -9.239 -5.354 10.124 69 H ILE 9 HN ILE 9 -6.877 -2.297 6.837 70 HA ILE 9 HA ILE 9 -4.601 -1.492 8.199 71 HB ILE 9 HB ILE 9 -5.618 -0.556 5.478 72 HG12 ILE 9 HG12 ILE 9 -5.338 -3.016 5.606 73 HG13 ILE 9 HG11 ILE 9 -4.134 -2.318 4.533 74 HG21 ILE 9 HG21 ILE 9 -2.796 -0.329 6.606 75 HG22 ILE 9 HG22 ILE 9 -3.898 1.006 6.275 76 HG23 ILE 9 HG23 ILE 9 -3.262 0.044 4.942 77 HD11 ILE 9 HD11 ILE 9 -3.175 -4.090 5.892 78 HD12 ILE 9 HD12 ILE 9 -3.662 -3.264 7.371 79 HD13 ILE 9 HD13 ILE 9 -2.434 -2.546 6.319 80 H LYS 10 HN LYS 10 -7.423 0.432 7.200 81 HA LYS 10 HA LYS 10 -6.516 2.998 7.981 82 HB2 LYS 10 HB2 LYS 10 -8.489 2.651 6.539 83 HB3 LYS 10 HB1 LYS 10 -9.351 1.882 7.867 84 HG2 LYS 10 HG2 LYS 10 -9.256 4.055 9.124 85 HG3 LYS 10 HG1 LYS 10 -8.507 4.798 7.710 86 HD2 LYS 10 HD2 LYS 10 -10.521 4.280 6.370 87 HD3 LYS 10 HD1 LYS 10 -11.264 3.524 7.781 88 HE2 LYS 10 HE2 LYS 10 -11.185 5.711 8.966 89 HE3 LYS 10 HE1 LYS 10 -10.507 6.456 7.516 90 HZ1 LYS 10 HZ1 LYS 10 -13.146 5.098 7.618 91 HZ2 LYS 10 HZ2 LYS 10 -12.504 5.985 6.329 92 HZ3 LYS 10 HZ3 LYS 10 -12.926 6.769 7.768 93 H ARG 11 HN ARG 11 -8.360 0.607 9.646 94 HA ARG 11 HA ARG 11 -8.815 1.674 12.149 95 HB2 ARG 11 HB2 ARG 11 -9.701 -0.495 11.390 96 HB3 ARG 11 HB1 ARG 11 -8.106 -1.219 11.564 97 HG2 ARG 11 HG2 ARG 11 -8.172 -0.916 13.978 98 HG3 ARG 11 HG1 ARG 11 -9.709 -0.046 13.857 99 HD2 ARG 11 HD2 ARG 11 -9.212 -2.973 13.209 100 HD3 ARG 11 HD1 ARG 11 -10.173 -2.318 14.539 101 HE ARG 11 HE ARG 11 -11.628 -1.328 12.694 102 HH11 ARG 11 HH11 ARG 11 -9.990 -4.413 12.316 103 HH12 ARG 11 HH12 ARG 11 -11.092 -4.966 11.092 104 HH21 ARG 11 HH21 ARG 11 -13.041 -2.077 11.093 105 HH22 ARG 11 HH22 ARG 11 -12.801 -3.652 10.400 106 H LEU 12 HN LEU 12 -5.936 -0.418 11.440 107 HA LEU 12 HA LEU 12 -4.669 0.149 13.915 108 HB2 LEU 12 HB2 LEU 12 -2.622 -0.895 12.927 109 HB3 LEU 12 HB1 LEU 12 -4.072 -1.861 12.812 110 HG LEU 12 HG LEU 12 -4.127 -0.683 10.345 111 HD11 LEU 12 HD11 LEU 12 -1.895 -0.678 9.348 112 HD12 LEU 12 HD12 LEU 12 -1.169 -0.979 10.927 113 HD13 LEU 12 HD13 LEU 12 -2.027 0.532 10.622 114 HD21 LEU 12 HD21 LEU 12 -4.360 -3.076 10.755 115 HD22 LEU 12 HD22 LEU 12 -2.619 -3.225 11.016 116 HD23 LEU 12 HD23 LEU 12 -3.238 -2.773 9.427 117 H SER 13 HN SER 13 -4.191 1.675 10.697 118 HA SER 13 HA SER 13 -2.361 3.639 11.271 119 HB2 SER 13 HB2 SER 13 -4.962 4.029 9.723 120 HB3 SER 13 HB1 SER 13 -3.545 5.091 9.643 121 HG SER 13 HG SER 13 -4.031 2.814 8.314 122 H ASP 14 HN ASP 14 -5.921 4.052 11.799 123 HA ASP 14 HA ASP 14 -5.974 6.380 13.237 124 HB2 ASP 14 HB2 ASP 14 -7.935 5.137 12.287 125 HB3 ASP 14 HB1 ASP 14 -7.787 3.938 13.557 126 H ARG 15 HN ARG 15 -5.144 3.194 14.344 127 HA ARG 15 HA ARG 15 -5.347 3.589 17.196 128 HB2 ARG 15 HB2 ARG 15 -5.247 1.320 16.200 129 HB3 ARG 15 HB1 ARG 15 -3.608 1.625 15.644 130 HG2 ARG 15 HG2 ARG 15 -3.516 0.209 17.599 131 HG3 ARG 15 HG1 ARG 15 -2.827 1.785 17.981 132 HD2 ARG 15 HD2 ARG 15 -4.980 2.416 19.080 133 HD3 ARG 15 HD1 ARG 15 -5.583 0.783 18.758 134 HE ARG 15 HE ARG 15 -3.063 0.971 20.227 135 HH11 ARG 15 HH11 ARG 15 -6.532 0.469 20.478 136 HH12 ARG 15 HH12 ARG 15 -6.444 -0.091 22.115 137 HH21 ARG 15 HH21 ARG 15 -2.980 0.239 22.373 138 HH22 ARG 15 HH22 ARG 15 -4.443 -0.217 23.188 139 H LEU 16 HN LEU 16 -2.451 3.507 15.063 140 HA LEU 16 HA LEU 16 -0.664 4.403 17.097 141 HB2 LEU 16 HB2 LEU 16 -0.194 3.044 14.904 142 HB3 LEU 16 HB1 LEU 16 -0.076 4.605 14.125 143 HG LEU 16 HG LEU 16 2.141 3.577 14.737 144 HD11 LEU 16 HD11 LEU 16 1.671 6.222 16.126 145 HD12 LEU 16 HD12 LEU 16 2.048 5.987 14.418 146 HD13 LEU 16 HD13 LEU 16 3.231 5.546 15.644 147 HD21 LEU 16 HD21 LEU 16 1.531 2.481 16.825 148 HD22 LEU 16 HD22 LEU 16 1.314 4.043 17.616 149 HD23 LEU 16 HD23 LEU 16 2.913 3.545 17.058 150 H ASP 17 HN ASP 17 -2.348 6.150 14.406 151 HA ASP 17 HA ASP 17 -1.258 8.669 14.752 152 HB2 ASP 17 HB2 ASP 17 -2.680 8.102 12.849 153 HB3 ASP 17 HB1 ASP 17 -4.068 7.851 13.901 154 H ALA 18 HN ALA 18 -4.470 7.655 16.135 155 HA ALA 18 HA ALA 18 -4.889 9.319 18.127 156 HB1 ALA 18 HB1 ALA 18 -6.247 7.306 17.758 157 HB2 ALA 18 HB2 ALA 18 -5.904 7.560 19.470 158 HB3 ALA 18 HB3 ALA 18 -5.022 6.324 18.564 159 H ILE 19 HN ILE 19 -2.251 6.924 18.274 160 HA ILE 19 HA ILE 19 -1.598 7.533 21.026 161 HB ILE 19 HB ILE 19 -0.008 5.988 18.943 162 HG12 ILE 19 HG12 ILE 19 -1.609 5.174 21.417 163 HG13 ILE 19 HG11 ILE 19 -1.977 4.790 19.738 164 HG21 ILE 19 HG21 ILE 19 1.574 5.324 20.756 165 HG22 ILE 19 HG22 ILE 19 0.769 6.434 21.865 166 HG23 ILE 19 HG23 ILE 19 1.628 7.060 20.462 167 HD11 ILE 19 HD11 ILE 19 0.327 3.719 21.362 168 HD12 ILE 19 HD12 ILE 19 0.030 3.361 19.658 169 HD13 ILE 19 HD13 ILE 19 -1.132 2.856 20.882 170 H ARG 20 HN ARG 20 -0.183 8.606 17.848 171 HA ARG 20 HA ARG 20 1.824 10.176 19.019 172 HB2 ARG 20 HB2 ARG 20 2.261 11.154 16.894 173 HB3 ARG 20 HB1 ARG 20 1.779 9.492 16.582 174 HG2 ARG 20 HG2 ARG 20 -0.372 10.183 15.762 175 HG3 ARG 20 HG1 ARG 20 -0.122 11.838 16.318 176 HD2 ARG 20 HD2 ARG 20 1.734 12.081 14.667 177 HD3 ARG 20 HD1 ARG 20 1.403 10.442 14.094 178 HE ARG 20 HE ARG 20 -0.733 11.182 13.294 179 HH11 ARG 20 HH11 ARG 20 1.424 13.821 14.176 180 HH12 ARG 20 HH12 ARG 20 0.525 15.000 13.279 181 HH21 ARG 20 HH21 ARG 20 -1.885 12.728 12.132 182 HH22 ARG 20 HH22 ARG 20 -1.343 14.377 12.110 183 H HIS 21 HN HIS 21 -1.566 11.161 18.024 184 HA HIS 21 HA HIS 21 -1.362 13.821 18.739 185 HB2 HIS 21 HB2 HIS 21 -3.226 12.507 17.445 186 HB3 HIS 21 HB1 HIS 21 -3.889 12.133 19.027 187 HD1 HIS 21 HD1 HIS 21 -4.450 14.399 20.539 188 HD2 HIS 21 HD2 HIS 21 -4.121 14.897 16.427 189 HE1 HIS 21 HE1 HIS 21 -5.541 16.594 20.040 190 HE2 HIS 21 HE2 HIS 21 -5.342 16.879 17.543 191 H GLN 22 HN GLN 22 -2.361 10.996 20.584 192 HA GLN 22 HA GLN 22 -3.027 12.089 23.058 193 HB2 GLN 22 HB2 GLN 22 -3.455 9.775 22.637 194 HB3 GLN 22 HB1 GLN 22 -1.772 9.443 22.261 195 HG2 GLN 22 HG2 GLN 22 -1.206 9.842 24.655 196 HG3 GLN 22 HG1 GLN 22 -2.930 10.035 24.994 197 HE21 GLN 22 HE21 GLN 22 -1.444 7.694 22.773 198 HE22 GLN 22 HE22 GLN 22 -1.934 6.289 23.643 199 H GLN 23 HN GLN 23 0.151 11.131 21.794 200 HA GLN 23 HA GLN 23 1.562 11.972 24.162 201 HB2 GLN 23 HB2 GLN 23 2.445 10.946 21.449 202 HB3 GLN 23 HB1 GLN 23 3.608 11.543 22.629 203 HG2 GLN 23 HG2 GLN 23 2.852 9.846 24.248 204 HG3 GLN 23 HG1 GLN 23 1.700 9.231 23.057 205 HE21 GLN 23 HE21 GLN 23 4.110 8.011 24.387 206 HE22 GLN 23 HE22 GLN 23 5.066 7.402 23.084 207 H ALA 24 HN ALA 24 0.600 13.592 21.123 208 HA ALA 24 HA ALA 24 2.199 15.899 21.680 209 HB1 ALA 24 HB1 ALA 24 1.397 15.392 19.427 210 HB2 ALA 24 HB2 ALA 24 0.801 16.965 19.955 211 HB3 ALA 24 HB3 ALA 24 -0.274 15.564 19.960 212 H ASP 25 HN ASP 25 -0.744 14.612 23.039 213 HA ASP 25 HA ASP 25 -1.616 17.189 24.172 214 HB2 ASP 25 HB2 ASP 25 -2.737 14.370 24.509 215 HB3 ASP 25 HB1 ASP 25 -3.406 15.802 25.264 216 H LEU 26 HN LEU 26 0.187 14.318 24.796 217 HA LEU 26 HA LEU 26 0.696 15.083 27.600 218 HB2 LEU 26 HB2 LEU 26 1.460 12.532 26.135 219 HB3 LEU 26 HB1 LEU 26 1.815 12.889 27.818 220 HG LEU 26 HG LEU 26 -0.868 12.244 26.561 221 HD11 LEU 26 HD11 LEU 26 -0.985 10.551 28.338 222 HD12 LEU 26 HD12 LEU 26 0.590 11.072 28.948 223 HD13 LEU 26 HD13 LEU 26 0.455 10.357 27.341 224 HD21 LEU 26 HD21 LEU 26 -1.324 14.220 27.907 225 HD22 LEU 26 HD22 LEU 26 -0.491 13.514 29.295 226 HD23 LEU 26 HD23 LEU 26 -1.990 12.792 28.698 227 H SER 27 HN SER 27 2.941 14.974 28.346 228 HA SER 27 HA SER 27 4.949 15.549 26.241 229 HB2 SER 27 HB2 SER 27 4.190 17.676 27.336 230 HB3 SER 27 HB1 SER 27 4.726 17.022 28.882 231 HG SER 27 HG SER 27 6.319 17.645 26.627 232 H LEU 28 HN LEU 28 7.062 15.053 26.770 233 HA LEU 28 HA LEU 28 7.701 13.020 28.636 234 HB2 LEU 28 HB2 LEU 28 8.811 13.486 26.406 235 HB3 LEU 28 HB1 LEU 28 9.544 14.911 27.098 236 HG LEU 28 HG LEU 28 10.965 12.740 26.817 237 HD11 LEU 28 HD11 LEU 28 12.377 13.204 28.752 238 HD12 LEU 28 HD12 LEU 28 11.090 14.165 29.484 239 HD13 LEU 28 HD13 LEU 28 11.843 14.700 27.981 240 HD21 LEU 28 HD21 LEU 28 10.921 11.150 28.680 241 HD22 LEU 28 HD22 LEU 28 9.369 11.182 27.839 242 HD23 LEU 28 HD23 LEU 28 9.544 12.006 29.389 243 H VAL 29 HN VAL 29 7.136 16.335 29.077 244 HA VAL 29 HA VAL 29 8.965 16.592 31.378 245 HB VAL 29 HB VAL 29 7.339 18.754 29.982 246 HG11 VAL 29 HG11 VAL 29 9.603 19.038 32.001 247 HG12 VAL 29 HG12 VAL 29 7.899 19.391 32.289 248 HG13 VAL 29 HG13 VAL 29 8.818 20.367 31.142 249 HG21 VAL 29 HG21 VAL 29 9.003 17.789 28.446 250 HG22 VAL 29 HG22 VAL 29 10.284 18.058 29.628 251 HG23 VAL 29 HG23 VAL 29 9.456 19.435 28.893 252 H GLU 30 HN GLU 30 5.501 16.373 30.620 253 HA GLU 30 HA GLU 30 4.888 16.771 33.498 254 HB2 GLU 30 HB2 GLU 30 2.829 18.069 32.896 255 HB3 GLU 30 HB1 GLU 30 4.344 18.872 32.519 256 HG2 GLU 30 HG2 GLU 30 3.073 19.357 30.655 257 HG3 GLU 30 HG1 GLU 30 3.992 17.962 30.124 258 H ALA 31 HN ALA 31 4.665 14.563 31.060 259 HA ALA 31 HA ALA 31 2.578 13.109 32.534 260 HB1 ALA 31 HB1 ALA 31 1.335 14.172 30.732 261 HB2 ALA 31 HB2 ALA 31 1.444 12.434 30.419 262 HB3 ALA 31 HB3 ALA 31 2.485 13.561 29.542 263 H ALA 32 HN ALA 32 5.347 12.575 32.640 264 HA ALA 32 HA ALA 32 6.049 10.783 30.406 265 HB1 ALA 32 HB1 ALA 32 7.851 12.212 32.372 266 HB2 ALA 32 HB2 ALA 32 7.519 12.722 30.718 267 HB3 ALA 32 HB3 ALA 32 8.376 11.209 31.013 268 H ASP 33 HN ASP 33 5.117 8.660 31.260 269 HA ASP 33 HA ASP 33 6.201 7.235 33.113 270 HB2 ASP 33 HB2 ASP 33 5.429 8.932 34.841 271 HB3 ASP 33 HB1 ASP 33 3.783 8.740 34.262 272 H LYS 34 HN LYS 34 2.685 8.125 32.864 273 HA LYS 34 HA LYS 34 1.692 6.471 31.011 274 HB2 LYS 34 HB2 LYS 34 1.461 9.507 31.011 275 HB3 LYS 34 HB1 LYS 34 0.518 8.512 29.912 276 HG2 LYS 34 HG2 LYS 34 0.385 8.371 32.940 277 HG3 LYS 34 HG1 LYS 34 -0.767 9.207 31.900 278 HD2 LYS 34 HD2 LYS 34 -0.215 6.221 31.818 279 HD3 LYS 34 HD1 LYS 34 -1.566 6.969 32.664 280 HE2 LYS 34 HE2 LYS 34 -2.456 7.818 30.538 281 HE3 LYS 34 HE1 LYS 34 -1.077 7.144 29.672 282 HZ1 LYS 34 HZ1 LYS 34 -3.033 5.535 31.214 283 HZ2 LYS 34 HZ2 LYS 34 -1.777 4.944 30.261 284 HZ3 LYS 34 HZ3 LYS 34 -3.071 5.749 29.540 285 H TYR 35 HN TYR 35 3.763 9.216 30.127 286 HA TYR 35 HA TYR 35 3.591 8.906 27.278 287 HB2 TYR 35 HB2 TYR 35 4.303 11.038 28.496 288 HB3 TYR 35 HB1 TYR 35 5.842 10.266 28.810 289 HD1 TYR 35 HD1 TYR 35 3.702 11.795 26.214 290 HD2 TYR 35 HD2 TYR 35 7.537 10.093 27.040 291 HE1 TYR 35 HE1 TYR 35 4.577 12.746 24.127 292 HE2 TYR 35 HE2 TYR 35 8.406 11.044 24.950 293 HH TYR 35 HH TYR 35 7.612 11.844 22.815 294 H ALA 36 HN ALA 36 5.814 7.730 29.746 295 HA ALA 36 HA ALA 36 7.796 6.547 28.125 296 HB1 ALA 36 HB1 ALA 36 8.137 7.099 30.499 297 HB2 ALA 36 HB2 ALA 36 8.491 5.399 30.182 298 HB3 ALA 36 HB3 ALA 36 6.973 5.856 30.966 299 H GLU 37 HN GLU 37 5.003 4.998 29.850 300 HA GLU 37 HA GLU 37 5.089 2.482 28.751 301 HB2 GLU 37 HB2 GLU 37 2.555 4.082 29.308 302 HB3 GLU 37 HB1 GLU 37 2.659 2.332 29.192 303 HG2 GLU 37 HG2 GLU 37 3.906 4.068 31.347 304 HG3 GLU 37 HG1 GLU 37 2.464 3.067 31.503 305 H LEU 38 HN LEU 38 3.171 5.145 27.579 306 HA LEU 38 HA LEU 38 2.167 4.206 25.201 307 HB2 LEU 38 HB2 LEU 38 3.128 7.048 25.636 308 HB3 LEU 38 HB1 LEU 38 2.024 6.530 24.373 309 HG LEU 38 HG LEU 38 1.456 6.418 27.351 310 HD11 LEU 38 HD11 LEU 38 1.516 8.709 26.566 311 HD12 LEU 38 HD12 LEU 38 -0.145 8.232 26.913 312 HD13 LEU 38 HD13 LEU 38 0.419 8.318 25.240 313 HD21 LEU 38 HD21 LEU 38 0.281 4.619 26.176 314 HD22 LEU 38 HD22 LEU 38 -0.405 5.787 25.046 315 HD23 LEU 38 HD23 LEU 38 -0.838 5.852 26.756 316 H GLU 39 HN GLU 39 5.434 5.587 25.613 317 HA GLU 39 HA GLU 39 6.342 5.290 22.972 318 HB2 GLU 39 HB2 GLU 39 7.767 5.315 25.642 319 HB3 GLU 39 HB1 GLU 39 8.670 5.066 24.156 320 HG2 GLU 39 HG2 GLU 39 6.957 7.494 24.771 321 HG3 GLU 39 HG1 GLU 39 8.713 7.417 24.926 322 H LYS 40 HN LYS 40 6.371 2.946 25.651 323 HA LYS 40 HA LYS 40 7.643 0.811 24.183 324 HB2 LYS 40 HB2 LYS 40 5.820 0.577 26.612 325 HB3 LYS 40 HB1 LYS 40 6.888 -0.684 26.001 326 HG2 LYS 40 HG2 LYS 40 8.840 0.793 26.512 327 HG3 LYS 40 HG1 LYS 40 7.726 1.963 27.221 328 HD2 LYS 40 HD2 LYS 40 8.071 -0.901 28.198 329 HD3 LYS 40 HD1 LYS 40 8.878 0.494 28.905 330 HE2 LYS 40 HE2 LYS 40 7.017 -0.004 30.303 331 HE3 LYS 40 HE1 LYS 40 6.589 1.448 29.406 332 HZ1 LYS 40 HZ1 LYS 40 5.672 -1.291 28.702 333 HZ2 LYS 40 HZ2 LYS 40 5.144 0.161 28.014 334 HZ3 LYS 40 HZ3 LYS 40 4.785 -0.181 29.625 335 H GLU 41 HN GLU 41 4.212 1.339 25.049 336 HA GLU 41 HA GLU 41 2.919 -0.598 23.640 337 HB2 GLU 41 HB2 GLU 41 1.904 2.264 23.833 338 HB3 GLU 41 HB1 GLU 41 0.943 0.808 23.656 339 HG2 GLU 41 HG2 GLU 41 2.301 1.911 26.095 340 HG3 GLU 41 HG1 GLU 41 0.643 1.376 25.900 341 H LYS 42 HN LYS 42 3.944 2.516 22.505 342 HA LYS 42 HA LYS 42 3.174 2.364 19.770 343 HB2 LYS 42 HB2 LYS 42 3.964 4.500 20.727 344 HB3 LYS 42 HB1 LYS 42 5.575 3.831 20.967 345 HG2 LYS 42 HG2 LYS 42 5.737 3.516 18.462 346 HG3 LYS 42 HG1 LYS 42 4.219 4.397 18.304 347 HD2 LYS 42 HD2 LYS 42 6.765 5.492 19.557 348 HD3 LYS 42 HD1 LYS 42 6.224 5.825 17.912 349 HE2 LYS 42 HE2 LYS 42 4.234 6.952 18.772 350 HE3 LYS 42 HE1 LYS 42 4.694 6.557 20.429 351 HZ1 LYS 42 HZ1 LYS 42 6.666 7.918 20.175 352 HZ2 LYS 42 HZ2 LYS 42 5.280 8.821 19.850 353 HZ3 LYS 42 HZ3 LYS 42 6.241 8.290 18.574 354 H ALA 43 HN ALA 43 6.248 1.558 21.384 355 HA ALA 43 HA ALA 43 7.748 0.682 19.220 356 HB1 ALA 43 HB1 ALA 43 9.224 -0.432 20.821 357 HB2 ALA 43 HB2 ALA 43 7.975 -0.332 22.063 358 HB3 ALA 43 HB3 ALA 43 8.713 1.141 21.437 359 H THR 44 HN THR 44 5.723 -1.352 21.321 360 HA THR 44 HA THR 44 6.135 -3.810 20.018 361 HB THR 44 HB THR 44 3.814 -2.918 21.794 362 HG1 THR 44 HG1 THR 44 6.478 -3.386 22.315 363 HG21 THR 44 HG21 THR 44 3.645 -5.296 22.443 364 HG22 THR 44 HG22 THR 44 4.921 -5.707 21.297 365 HG23 THR 44 HG23 THR 44 3.372 -5.096 20.710 366 H LEU 45 HN LEU 45 3.484 -1.401 19.796 367 HA LEU 45 HA LEU 45 2.129 -2.506 17.644 368 HB2 LEU 45 HB2 LEU 45 2.549 0.365 18.409 369 HB3 LEU 45 HB1 LEU 45 1.909 0.032 16.808 370 HG LEU 45 HG LEU 45 0.603 -0.758 19.446 371 HD11 LEU 45 HD11 LEU 45 -0.281 1.227 17.341 372 HD12 LEU 45 HD12 LEU 45 0.389 1.623 18.923 373 HD13 LEU 45 HD13 LEU 45 -1.161 0.798 18.809 374 HD21 LEU 45 HD21 LEU 45 -0.333 -1.318 16.614 375 HD22 LEU 45 HD22 LEU 45 -1.293 -1.567 18.072 376 HD23 LEU 45 HD23 LEU 45 0.166 -2.515 17.815 377 H GLU 46 HN GLU 46 5.118 -0.501 17.403 378 HA GLU 46 HA GLU 46 5.493 -0.559 14.641 379 HB2 GLU 46 HB2 GLU 46 7.609 -0.446 16.832 380 HB3 GLU 46 HB1 GLU 46 7.862 -0.013 15.141 381 HG2 GLU 46 HG2 GLU 46 6.253 1.835 15.385 382 HG3 GLU 46 HG1 GLU 46 6.003 1.395 17.065 383 H ALA 47 HN ALA 47 6.147 -2.910 17.083 384 HA ALA 47 HA ALA 47 8.240 -4.385 15.707 385 HB1 ALA 47 HB1 ALA 47 8.231 -4.291 18.169 386 HB2 ALA 47 HB2 ALA 47 8.071 -5.959 17.621 387 HB3 ALA 47 HB3 ALA 47 6.657 -5.087 18.216 388 H GLU 48 HN GLU 48 4.928 -4.971 16.705 389 HA GLU 48 HA GLU 48 4.145 -7.202 15.307 390 HB2 GLU 48 HB2 GLU 48 2.842 -6.069 17.099 391 HB3 GLU 48 HB1 GLU 48 2.578 -4.689 16.048 392 HG2 GLU 48 HG2 GLU 48 0.548 -5.822 16.008 393 HG3 GLU 48 HG1 GLU 48 1.322 -6.300 14.504 394 H ILE 49 HN ILE 49 3.409 -3.863 14.392 395 HA ILE 49 HA ILE 49 2.103 -4.575 12.026 396 HB ILE 49 HB ILE 49 1.969 -2.255 11.328 397 HG12 ILE 49 HG12 ILE 49 4.079 -1.684 13.460 398 HG13 ILE 49 HG11 ILE 49 4.221 -1.415 11.724 399 HG21 ILE 49 HG21 ILE 49 1.583 -2.512 14.331 400 HG22 ILE 49 HG22 ILE 49 0.431 -2.997 13.086 401 HG23 ILE 49 HG23 ILE 49 0.830 -1.294 13.299 402 HD11 ILE 49 HD11 ILE 49 2.420 0.090 13.621 403 HD12 ILE 49 HD12 ILE 49 2.545 0.363 11.881 404 HD13 ILE 49 HD13 ILE 49 3.934 0.662 12.924 405 H ALA 50 HN ALA 50 5.524 -3.296 12.306 406 HA ALA 50 HA ALA 50 6.126 -3.711 9.603 407 HB1 ALA 50 HB1 ALA 50 8.430 -3.333 10.286 408 HB2 ALA 50 HB2 ALA 50 7.991 -3.591 11.977 409 HB3 ALA 50 HB3 ALA 50 7.342 -2.205 11.100 410 H ARG 51 HN ARG 51 6.496 -5.961 12.370 411 HA ARG 51 HA ARG 51 7.920 -8.032 11.069 412 HB2 ARG 51 HB2 ARG 51 7.276 -7.930 13.552 413 HB3 ARG 51 HB1 ARG 51 5.688 -8.516 13.091 414 HG2 ARG 51 HG2 ARG 51 6.979 -10.378 13.908 415 HG3 ARG 51 HG1 ARG 51 6.783 -10.580 12.164 416 HD2 ARG 51 HD2 ARG 51 9.048 -9.803 11.764 417 HD3 ARG 51 HD1 ARG 51 9.247 -9.372 13.467 418 HE ARG 51 HE ARG 51 8.671 -12.060 13.482 419 HH11 ARG 51 HH11 ARG 51 11.167 -10.135 11.906 420 HH12 ARG 51 HH12 ARG 51 12.381 -11.361 12.086 421 HH21 ARG 51 HH21 ARG 51 10.283 -13.649 13.687 422 HH22 ARG 51 HH22 ARG 51 11.883 -13.339 13.090 423 H LEU 52 HN LEU 52 4.486 -7.562 11.387 424 HA LEU 52 HA LEU 52 3.447 -9.407 9.593 425 HB2 LEU 52 HB2 LEU 52 2.479 -6.736 10.613 426 HB3 LEU 52 HB1 LEU 52 1.635 -7.428 9.242 427 HG LEU 52 HG LEU 52 0.499 -7.924 11.391 428 HD11 LEU 52 HD11 LEU 52 0.144 -10.315 11.038 429 HD12 LEU 52 HD12 LEU 52 1.593 -10.405 10.036 430 HD13 LEU 52 HD13 LEU 52 0.208 -9.449 9.503 431 HD21 LEU 52 HD21 LEU 52 2.964 -9.553 12.111 432 HD22 LEU 52 HD22 LEU 52 1.448 -9.489 13.022 433 HD23 LEU 52 HD23 LEU 52 2.453 -8.049 12.881 434 H ARG 53 HN ARG 53 4.533 -6.016 8.916 435 HA ARG 53 HA ARG 53 4.212 -6.256 6.116 436 HB2 ARG 53 HB2 ARG 53 5.406 -4.181 7.939 437 HB3 ARG 53 HB1 ARG 53 5.524 -4.025 6.194 438 HG2 ARG 53 HG2 ARG 53 3.055 -4.008 6.019 439 HG3 ARG 53 HG1 ARG 53 2.930 -4.141 7.776 440 HD2 ARG 53 HD2 ARG 53 2.691 -1.787 6.917 441 HD3 ARG 53 HD1 ARG 53 4.009 -1.984 8.085 442 HE ARG 53 HE ARG 53 5.033 -2.339 5.477 443 HH11 ARG 53 HH11 ARG 53 3.686 0.322 7.337 444 HH12 ARG 53 HH12 ARG 53 4.733 1.500 6.619 445 HH21 ARG 53 HH21 ARG 53 6.391 -0.792 4.558 446 HH22 ARG 53 HH22 ARG 53 6.261 0.870 5.037 447 H GLU 54 HN GLU 54 6.781 -7.534 8.045 448 HA GLU 54 HA GLU 54 8.567 -7.475 5.681 449 HB2 GLU 54 HB2 GLU 54 10.301 -8.466 6.977 450 HB3 GLU 54 HB1 GLU 54 9.589 -7.203 7.973 451 HG2 GLU 54 HG2 GLU 54 8.450 -8.835 9.343 452 HG3 GLU 54 HG1 GLU 54 8.921 -10.141 8.255 453 H VAL 55 HN VAL 55 6.391 -9.546 7.435 454 HA VAL 55 HA VAL 55 6.653 -11.870 5.719 455 HB VAL 55 HB VAL 55 4.237 -10.913 7.355 456 HG11 VAL 55 HG11 VAL 55 3.501 -12.469 5.607 457 HG12 VAL 55 HG12 VAL 55 3.396 -13.248 7.182 458 HG13 VAL 55 HG13 VAL 55 4.728 -13.642 6.096 459 HG21 VAL 55 HG21 VAL 55 4.940 -12.608 9.029 460 HG22 VAL 55 HG22 VAL 55 6.178 -11.378 8.788 461 HG23 VAL 55 HG23 VAL 55 6.368 -12.973 8.060 462 H HIS 56 HN HIS 56 5.371 -8.692 5.490 463 HA HIS 56 HA HIS 56 4.084 -9.247 2.888 464 HB2 HIS 56 HB2 HIS 56 3.323 -7.153 4.965 465 HB3 HIS 56 HB1 HIS 56 2.805 -7.058 3.293 466 HD1 HIS 56 HD1 HIS 56 0.388 -7.626 3.308 467 HD2 HIS 56 HD2 HIS 56 2.578 -10.181 5.747 468 HE1 HIS 56 HE1 HIS 56 -1.259 -9.307 4.182 469 HE2 HIS 56 HE2 HIS 56 0.067 -10.775 5.735 470 H SER 57 HN SER 57 6.929 -8.843 3.436 471 HA SER 57 HA SER 57 7.300 -6.893 1.267 472 HB2 SER 57 HB2 SER 57 8.930 -6.844 3.829 473 HB3 SER 57 HB1 SER 57 9.550 -6.178 2.316 474 HG SER 57 HG SER 57 7.021 -5.323 2.892 475 H GLN 58 HN GLN 58 8.977 -9.419 3.229 476 HA GLN 58 HA GLN 58 10.515 -10.601 1.211 477 HB2 GLN 58 HB2 GLN 58 8.911 -12.068 3.364 478 HB3 GLN 58 HB1 GLN 58 10.261 -12.748 2.459 479 HG2 GLN 58 HG2 GLN 58 11.831 -11.260 3.559 480 HG3 GLN 58 HG1 GLN 58 10.516 -10.362 4.319 481 HE21 GLN 58 HE21 GLN 58 11.155 -10.733 6.427 482 HE22 GLN 58 HE22 GLN 58 11.125 -12.285 7.181 483 H LYS 59 HN LYS 59 7.109 -11.016 2.083 484 HA LYS 59 HA LYS 59 6.476 -11.709 -0.712 485 HB2 LYS 59 HB2 LYS 59 4.920 -12.483 1.803 486 HB3 LYS 59 HB1 LYS 59 4.336 -12.705 0.167 487 HG2 LYS 59 HG2 LYS 59 5.084 -14.837 0.767 488 HG3 LYS 59 HG1 LYS 59 6.421 -14.201 -0.193 489 HD2 LYS 59 HD2 LYS 59 7.699 -13.713 1.823 490 HD3 LYS 59 HD1 LYS 59 6.327 -14.150 2.849 491 HE2 LYS 59 HE2 LYS 59 6.475 -16.493 1.993 492 HE3 LYS 59 HE1 LYS 59 7.889 -16.030 1.040 493 HZ1 LYS 59 HZ1 LYS 59 7.745 -15.760 3.988 494 HZ2 LYS 59 HZ2 LYS 59 9.111 -15.597 3.011 495 HZ3 LYS 59 HZ3 LYS 59 8.392 -17.109 3.205 496 H LEU 60 HN LEU 60 6.621 -9.400 -1.090 497 HA LEU 60 HA LEU 60 5.723 -7.260 0.280 498 HB2 LEU 60 HB2 LEU 60 6.950 -7.335 -1.994 499 HB3 LEU 60 HB1 LEU 60 5.371 -7.374 -2.743 500 HG LEU 60 HG LEU 60 6.270 -5.057 -0.952 501 HD11 LEU 60 HD11 LEU 60 6.824 -3.751 -2.970 502 HD12 LEU 60 HD12 LEU 60 6.535 -5.174 -3.979 503 HD13 LEU 60 HD13 LEU 60 7.859 -5.172 -2.816 504 HD21 LEU 60 HD21 LEU 60 3.840 -5.162 -1.276 505 HD22 LEU 60 HD22 LEU 60 4.053 -5.198 -3.028 506 HD23 LEU 60 HD23 LEU 60 4.520 -3.766 -2.107 507 H SER 61 HN SER 61 3.712 -8.644 -2.298 508 HA SER 61 HA SER 61 1.414 -9.137 -0.822 509 HB2 SER 61 HB2 SER 61 1.226 -6.597 -0.708 510 HB3 SER 61 HB1 SER 61 1.111 -6.565 -2.466 511 HG SER 61 HG SER 61 -0.657 -7.998 -0.767 512 H LYS 62 HN LYS 62 -0.169 -10.135 -2.157 513 HA LYS 62 HA LYS 62 0.487 -11.894 -4.011 514 HB2 LYS 62 HB2 LYS 62 -2.084 -10.278 -4.223 515 HB3 LYS 62 HB1 LYS 62 -1.837 -11.895 -4.879 516 HG2 LYS 62 HG2 LYS 62 -1.778 -12.878 -2.691 517 HG3 LYS 62 HG1 LYS 62 -1.645 -11.302 -1.907 518 HD2 LYS 62 HD2 LYS 62 -3.934 -12.241 -1.689 519 HD3 LYS 62 HD1 LYS 62 -3.932 -10.722 -2.585 520 HE2 LYS 62 HE2 LYS 62 -5.439 -12.343 -3.641 521 HE3 LYS 62 HE1 LYS 62 -4.093 -11.979 -4.716 522 HZ1 LYS 62 HZ1 LYS 62 -4.336 -14.397 -3.005 523 HZ2 LYS 62 HZ2 LYS 62 -3.053 -14.054 -4.049 524 HZ3 LYS 62 HZ3 LYS 62 -4.596 -14.331 -4.674 525 H GLU 63 HN GLU 63 -0.912 -8.817 -5.171 526 HA GLU 63 HA GLU 63 -0.326 -8.701 -7.733 527 HB2 GLU 63 HB2 GLU 63 -1.334 -6.816 -6.541 528 HB3 GLU 63 HB1 GLU 63 0.214 -6.398 -5.822 529 HG2 GLU 63 HG2 GLU 63 -0.375 -4.887 -7.675 530 HG3 GLU 63 HG1 GLU 63 1.111 -5.771 -8.008 531 H ALA 64 HN ALA 64 2.193 -7.102 -5.736 532 HA ALA 64 HA ALA 64 4.129 -7.048 -7.795 533 HB1 ALA 64 HB1 ALA 64 5.680 -6.338 -6.006 534 HB2 ALA 64 HB2 ALA 64 4.499 -6.817 -4.784 535 HB3 ALA 64 HB3 ALA 64 4.136 -5.494 -5.889 536 H GLN 65 HN GLN 65 3.681 -9.141 -5.025 537 HA GLN 65 HA GLN 65 5.917 -10.818 -5.121 538 HB2 GLN 65 HB2 GLN 65 3.394 -10.821 -3.726 539 HB3 GLN 65 HB1 GLN 65 3.577 -12.424 -4.419 540 HG2 GLN 65 HG2 GLN 65 5.581 -11.030 -2.631 541 HG3 GLN 65 HG1 GLN 65 4.438 -12.271 -2.122 542 HE21 GLN 65 HE21 GLN 65 7.421 -12.184 -2.074 543 HE22 GLN 65 HE22 GLN 65 7.919 -13.627 -2.885 544 H LYS 66 HN LYS 66 2.946 -10.960 -7.096 545 HA LYS 66 HA LYS 66 3.458 -13.419 -8.466 546 HB2 LYS 66 HB2 LYS 66 1.184 -12.796 -8.375 547 HB3 LYS 66 HB1 LYS 66 1.531 -11.106 -8.692 548 HG2 LYS 66 HG2 LYS 66 2.102 -11.812 -11.073 549 HG3 LYS 66 HG1 LYS 66 1.376 -13.379 -10.690 550 HD2 LYS 66 HD2 LYS 66 -0.277 -11.919 -11.795 551 HD3 LYS 66 HD1 LYS 66 -0.763 -12.196 -10.121 552 HE2 LYS 66 HE2 LYS 66 0.254 -9.986 -9.512 553 HE3 LYS 66 HE1 LYS 66 0.614 -9.719 -11.214 554 HZ1 LYS 66 HZ1 LYS 66 -1.747 -9.791 -11.683 555 HZ2 LYS 66 HZ2 LYS 66 -1.397 -8.595 -10.540 556 HZ3 LYS 66 HZ3 LYS 66 -2.089 -10.050 -10.041 557 H LEU 67 HN LEU 67 3.544 -10.048 -9.402 558 HA LEU 67 HA LEU 67 4.806 -10.051 -11.856 559 HB2 LEU 67 HB2 LEU 67 5.559 -8.092 -9.655 560 HB3 LEU 67 HB1 LEU 67 5.764 -7.835 -11.381 561 HG LEU 67 HG LEU 67 3.135 -7.975 -9.855 562 HD11 LEU 67 HD11 LEU 67 4.411 -5.667 -11.348 563 HD12 LEU 67 HD12 LEU 67 4.309 -5.845 -9.595 564 HD13 LEU 67 HD13 LEU 67 2.840 -5.646 -10.543 565 HD21 LEU 67 HD21 LEU 67 2.806 -9.060 -12.035 566 HD22 LEU 67 HD22 LEU 67 3.476 -7.651 -12.854 567 HD23 LEU 67 HD23 LEU 67 1.962 -7.515 -11.961 568 H MET 68 HN MET 68 6.325 -10.498 -8.770 569 HA MET 68 HA MET 68 9.056 -10.703 -9.667 570 HB2 MET 68 HB2 MET 68 7.813 -11.516 -7.001 571 HB3 MET 68 HB1 MET 68 9.544 -11.398 -7.320 572 HG2 MET 68 HG2 MET 68 9.365 -9.021 -7.695 573 HG3 MET 68 HG1 MET 68 7.615 -9.082 -7.559 574 HE1 MET 68 HE1 MET 68 9.158 -6.927 -5.963 575 HE2 MET 68 HE2 MET 68 8.448 -7.090 -4.358 576 HE3 MET 68 HE3 MET 68 7.424 -7.204 -5.786 577 H LYS 69 HN LYS 69 6.505 -13.042 -9.008 578 HA LYS 69 HA LYS 69 8.274 -15.263 -9.981 579 HB2 LYS 69 HB2 LYS 69 6.653 -16.844 -9.037 580 HB3 LYS 69 HB1 LYS 69 7.151 -15.681 -7.813 581 HG2 LYS 69 HG2 LYS 69 5.049 -14.426 -8.158 582 HG3 LYS 69 HG1 LYS 69 4.556 -15.597 -9.378 583 HD2 LYS 69 HD2 LYS 69 4.492 -17.370 -7.676 584 HD3 LYS 69 HD1 LYS 69 5.034 -16.225 -6.443 585 HE2 LYS 69 HE2 LYS 69 2.981 -14.905 -6.737 586 HE3 LYS 69 HE1 LYS 69 2.450 -15.984 -8.028 587 HZ1 LYS 69 HZ1 LYS 69 1.349 -16.533 -5.997 588 HZ2 LYS 69 HZ2 LYS 69 2.816 -16.696 -5.177 589 HZ3 LYS 69 HZ3 LYS 69 2.407 -17.790 -6.398 590 H MET 70 HN MET 70 6.747 -13.140 -11.650 591 HA MET 70 HA MET 70 4.746 -14.522 -13.140 592 HB2 MET 70 HB2 MET 70 6.150 -11.899 -13.432 593 HB3 MET 70 HB1 MET 70 5.580 -12.592 -14.942 594 HG2 MET 70 HG2 MET 70 3.847 -11.996 -12.530 595 HG3 MET 70 HG1 MET 70 3.964 -11.019 -13.994 596 HE1 MET 70 HE1 MET 70 0.430 -12.422 -14.688 597 HE2 MET 70 HE2 MET 70 1.496 -11.026 -14.865 598 HE3 MET 70 HE3 MET 70 1.106 -11.643 -13.258 599 HA PRO 71 HA PRO 71 7.401 -16.902 -15.818 600 HB2 PRO 71 HB2 PRO 71 5.656 -17.472 -17.863 601 HB3 PRO 71 HB1 PRO 71 5.621 -18.292 -16.297 602 HG2 PRO 71 HG2 PRO 71 3.906 -16.039 -17.302 603 HG3 PRO 71 HG1 PRO 71 3.441 -17.464 -16.349 604 HD2 PRO 71 HD2 PRO 71 3.821 -14.989 -15.245 605 HD3 PRO 71 HD1 PRO 71 4.110 -16.498 -14.349 606 H PHE 72 HN PHE 72 5.354 -14.705 -17.944 607 HA PHE 72 HA PHE 72 7.757 -14.449 -19.663 608 HB2 PHE 72 HB2 PHE 72 4.806 -14.086 -20.399 609 HB3 PHE 72 HB1 PHE 72 6.173 -14.023 -21.506 610 HD1 PHE 72 HD2 PHE 72 7.387 -16.125 -22.127 611 HD2 PHE 72 HD1 PHE 72 3.899 -16.211 -19.663 612 HE1 PHE 72 HE2 PHE 72 7.155 -18.540 -22.529 613 HE2 PHE 72 HE1 PHE 72 3.679 -18.622 -20.061 614 HZ PHE 72 HZ PHE 72 5.305 -19.794 -21.496 615 H GLN 73 HN GLN 73 8.677 -12.435 -19.334 616 HA GLN 73 HA GLN 73 7.065 -10.026 -18.988 617 HB2 GLN 73 HB2 GLN 73 7.880 -9.350 -16.831 618 HB3 GLN 73 HB1 GLN 73 7.290 -10.992 -16.646 619 HG2 GLN 73 HG2 GLN 73 10.215 -10.213 -16.911 620 HG3 GLN 73 HG1 GLN 73 9.388 -10.553 -15.393 621 HE21 GLN 73 HE21 GLN 73 8.774 -12.704 -14.938 622 HE22 GLN 73 HE22 GLN 73 9.472 -14.050 -15.762 623 H ARG 74 HN ARG 74 8.433 -8.013 -18.807 624 HA ARG 74 HA ARG 74 11.253 -8.011 -18.995 625 HB2 ARG 74 HB2 ARG 74 11.602 -7.129 -21.235 626 HB3 ARG 74 HB1 ARG 74 10.747 -8.660 -21.385 627 HG2 ARG 74 HG2 ARG 74 8.638 -7.481 -21.786 628 HG3 ARG 74 HG1 ARG 74 9.434 -5.923 -21.557 629 HD2 ARG 74 HD2 ARG 74 10.839 -6.331 -23.525 630 HD3 ARG 74 HD1 ARG 74 10.103 -7.923 -23.735 631 HE ARG 74 HE ARG 74 8.470 -5.465 -23.869 632 HH11 ARG 74 HH11 ARG 74 9.572 -8.422 -25.400 633 HH12 ARG 74 HH12 ARG 74 8.521 -8.251 -26.765 634 HH21 ARG 74 HH21 ARG 74 7.110 -5.258 -25.686 635 HH22 ARG 74 HH22 ARG 74 7.159 -6.452 -26.939 636 H ALA 75 HN ALA 75 11.953 -5.658 -19.573 637 HA ALA 75 HA ALA 75 10.075 -3.682 -18.390 638 HB1 ALA 75 HB1 ALA 75 13.080 -3.449 -18.770 639 HB2 ALA 75 HB2 ALA 75 12.260 -3.847 -17.261 640 HB3 ALA 75 HB3 ALA 75 12.039 -2.256 -17.989 641 H ILE 76 HN ILE 76 8.873 -2.603 -19.999 642 HA ILE 76 HA ILE 76 9.246 -3.233 -22.715 643 HB ILE 76 HB ILE 76 7.469 -1.095 -21.440 644 HG12 ILE 76 HG12 ILE 76 7.081 -3.338 -20.407 645 HG13 ILE 76 HG11 ILE 76 5.678 -2.752 -21.288 646 HG21 ILE 76 HG21 ILE 76 7.605 -0.808 -23.854 647 HG22 ILE 76 HG22 ILE 76 6.002 -1.389 -23.407 648 HG23 ILE 76 HG23 ILE 76 7.176 -2.501 -24.112 649 HD11 ILE 76 HD11 ILE 76 6.041 -5.143 -21.607 650 HD12 ILE 76 HD12 ILE 76 7.631 -4.825 -22.297 651 HD13 ILE 76 HD13 ILE 76 6.179 -4.265 -23.129 652 H THR 77 HN THR 77 10.521 -2.232 -24.187 653 HA THR 77 HA THR 77 11.858 0.274 -23.846 654 HB THR 77 HB THR 77 12.507 -0.067 -26.275 655 HG1 THR 77 HG1 THR 77 11.810 -2.090 -27.218 656 HG21 THR 77 HG21 THR 77 13.836 -2.119 -25.936 657 HG22 THR 77 HG22 THR 77 12.847 -2.542 -24.538 658 HG23 THR 77 HG23 THR 77 13.875 -1.110 -24.487 659 H LYS 78 HN LYS 78 11.493 2.263 -25.015 660 HA LYS 78 HA LYS 78 8.942 3.262 -25.531 661 HB2 LYS 78 HB2 LYS 78 11.580 4.045 -26.842 662 HB3 LYS 78 HB1 LYS 78 10.095 4.978 -27.017 663 HG2 LYS 78 HG2 LYS 78 10.060 5.411 -24.599 664 HG3 LYS 78 HG1 LYS 78 11.517 4.440 -24.389 665 HD2 LYS 78 HD2 LYS 78 12.105 6.810 -24.374 666 HD3 LYS 78 HD1 LYS 78 12.776 6.048 -25.813 667 HE2 LYS 78 HE2 LYS 78 10.896 6.972 -27.153 668 HE3 LYS 78 HE1 LYS 78 10.270 7.761 -25.704 669 HZ1 LYS 78 HZ1 LYS 78 12.301 9.048 -25.566 670 HZ2 LYS 78 HZ2 LYS 78 11.558 9.281 -27.063 671 HZ3 LYS 78 HZ3 LYS 78 12.919 8.284 -26.944 672 H LYS 79 HN LYS 79 11.190 1.903 -27.762 673 HA LYS 79 HA LYS 79 10.014 1.558 -30.185 674 HB2 LYS 79 HB2 LYS 79 12.110 0.397 -29.664 675 HB3 LYS 79 HB1 LYS 79 11.254 -0.743 -28.628 676 HG2 LYS 79 HG2 LYS 79 9.957 -1.495 -30.687 677 HG3 LYS 79 HG1 LYS 79 11.064 -0.508 -31.652 678 HD2 LYS 79 HD2 LYS 79 12.963 -1.853 -30.939 679 HD3 LYS 79 HD1 LYS 79 11.957 -2.739 -29.787 680 HE2 LYS 79 HE2 LYS 79 10.600 -3.582 -31.741 681 HE3 LYS 79 HE1 LYS 79 11.794 -2.845 -32.813 682 HZ1 LYS 79 HZ1 LYS 79 13.477 -4.272 -31.906 683 HZ2 LYS 79 HZ2 LYS 79 12.180 -5.219 -32.421 684 HZ3 LYS 79 HZ3 LYS 79 12.401 -4.918 -30.775 685 H GLU 80 HN GLU 80 9.096 -0.431 -27.348 686 HA GLU 80 HA GLU 80 6.793 -1.644 -28.712 687 HB2 GLU 80 HB2 GLU 80 8.072 -2.148 -25.992 688 HB3 GLU 80 HB1 GLU 80 6.704 -3.056 -26.638 689 HG2 GLU 80 HG2 GLU 80 9.499 -2.938 -27.821 690 HG3 GLU 80 HG1 GLU 80 8.796 -4.294 -26.932 691 H GLN 81 HN GLN 81 7.429 0.986 -26.411 692 HA GLN 81 HA GLN 81 4.702 1.265 -25.683 693 HB2 GLN 81 HB2 GLN 81 6.990 3.281 -25.558 694 HB3 GLN 81 HB1 GLN 81 5.441 3.439 -24.737 695 HG2 GLN 81 HG2 GLN 81 5.980 1.468 -23.348 696 HG3 GLN 81 HG1 GLN 81 7.528 1.311 -24.177 697 HE21 GLN 81 HE21 GLN 81 8.752 1.608 -22.309 698 HE22 GLN 81 HE22 GLN 81 8.847 3.116 -21.475 699 H ALA 82 HN ALA 82 6.324 2.019 -28.671 700 HA ALA 82 HA ALA 82 5.157 4.562 -29.208 701 HB1 ALA 82 HB1 ALA 82 6.012 4.161 -31.492 702 HB2 ALA 82 HB2 ALA 82 6.384 2.490 -31.066 703 HB3 ALA 82 HB3 ALA 82 7.248 3.811 -30.280 704 H ASP 83 HN ASP 83 4.298 1.215 -29.695 705 HA ASP 83 HA ASP 83 1.527 2.062 -30.187 706 HB2 ASP 83 HB2 ASP 83 2.722 1.198 -32.332 707 HB3 ASP 83 HB1 ASP 83 2.680 -0.390 -31.577 708 H MET 84 HN MET 84 1.049 1.758 -28.083 709 HA MET 84 HA MET 84 1.614 -0.638 -26.572 710 HB2 MET 84 HB2 MET 84 0.202 1.965 -26.065 711 HB3 MET 84 HB1 MET 84 -0.363 0.601 -25.106 712 HG2 MET 84 HG2 MET 84 2.516 1.512 -25.253 713 HG3 MET 84 HG1 MET 84 1.371 1.933 -23.968 714 HE1 MET 84 HE1 MET 84 3.502 0.856 -22.416 715 HE2 MET 84 HE2 MET 84 4.310 0.284 -23.876 716 HE3 MET 84 HE3 MET 84 3.974 -0.838 -22.561 717 H GLY 85 HN GLY 85 -0.911 0.480 -28.657 718 HA2 GLY 85 HA2 GLY 85 -2.951 -1.372 -28.182 719 HA3 GLY 85 HA1 GLY 85 -2.596 -0.648 -29.746 720 H LYS 86 HN LYS 86 -0.391 -1.543 -30.624 721 HA LYS 86 HA LYS 86 -0.811 -4.139 -31.548 722 HB2 LYS 86 HB2 LYS 86 0.470 -2.503 -32.804 723 HB3 LYS 86 HB1 LYS 86 1.678 -2.389 -31.549 724 HG2 LYS 86 HG2 LYS 86 1.293 -5.030 -32.930 725 HG3 LYS 86 HG1 LYS 86 2.113 -3.740 -33.803 726 HD2 LYS 86 HD2 LYS 86 2.954 -4.877 -31.116 727 HD3 LYS 86 HD1 LYS 86 3.710 -5.240 -32.664 728 HE2 LYS 86 HE2 LYS 86 4.393 -2.853 -32.868 729 HE3 LYS 86 HE1 LYS 86 3.652 -2.516 -31.301 730 HZ1 LYS 86 HZ1 LYS 86 5.904 -4.400 -31.772 731 HZ2 LYS 86 HZ2 LYS 86 5.206 -4.059 -30.272 732 HZ3 LYS 86 HZ3 LYS 86 6.044 -2.848 -31.103 733 H LEU 87 HN LEU 87 1.653 -2.982 -29.233 734 HA LEU 87 HA LEU 87 2.748 -5.350 -28.384 735 HB2 LEU 87 HB2 LEU 87 3.640 -3.260 -27.617 736 HB3 LEU 87 HB1 LEU 87 2.161 -2.851 -26.776 737 HG LEU 87 HG LEU 87 2.594 -4.763 -25.185 738 HD11 LEU 87 HD11 LEU 87 5.283 -4.938 -26.571 739 HD12 LEU 87 HD12 LEU 87 4.010 -6.163 -26.595 740 HD13 LEU 87 HD13 LEU 87 4.827 -5.776 -25.082 741 HD21 LEU 87 HD21 LEU 87 4.770 -2.652 -25.306 742 HD22 LEU 87 HD22 LEU 87 4.346 -3.626 -23.897 743 HD23 LEU 87 HD23 LEU 87 3.182 -2.481 -24.551 744 H LYS 88 HN LYS 88 -0.131 -3.866 -26.743 745 HA LYS 88 HA LYS 88 -0.535 -6.043 -24.958 746 HB2 LYS 88 HB2 LYS 88 -2.244 -3.676 -25.748 747 HB3 LYS 88 HB1 LYS 88 -2.874 -4.911 -24.658 748 HG2 LYS 88 HG2 LYS 88 -1.002 -4.499 -23.100 749 HG3 LYS 88 HG1 LYS 88 -0.374 -3.250 -24.182 750 HD2 LYS 88 HD2 LYS 88 -2.247 -1.808 -23.767 751 HD3 LYS 88 HD1 LYS 88 -3.173 -3.105 -23.002 752 HE2 LYS 88 HE2 LYS 88 -0.636 -1.883 -21.868 753 HE3 LYS 88 HE1 LYS 88 -2.273 -1.477 -21.358 754 HZ1 LYS 88 HZ1 LYS 88 -1.271 -3.065 -19.858 755 HZ2 LYS 88 HZ2 LYS 88 -1.006 -4.152 -21.125 756 HZ3 LYS 88 HZ3 LYS 88 -2.583 -3.772 -20.655 757 H LYS 89 HN LYS 89 -1.632 -5.643 -28.237 758 HA LYS 89 HA LYS 89 -3.786 -7.656 -27.969 759 HB2 LYS 89 HB2 LYS 89 -4.342 -7.290 -30.298 760 HB3 LYS 89 HB1 LYS 89 -4.212 -5.754 -29.469 761 HG2 LYS 89 HG2 LYS 89 -3.170 -5.229 -31.445 762 HG3 LYS 89 HG1 LYS 89 -1.773 -5.737 -30.512 763 HD2 LYS 89 HD2 LYS 89 -1.939 -7.995 -31.581 764 HD3 LYS 89 HD1 LYS 89 -3.286 -7.404 -32.554 765 HE2 LYS 89 HE2 LYS 89 -1.803 -5.740 -33.602 766 HE3 LYS 89 HE1 LYS 89 -0.451 -6.309 -32.619 767 HZ1 LYS 89 HZ1 LYS 89 -0.623 -8.458 -33.687 768 HZ2 LYS 89 HZ2 LYS 89 -0.414 -7.242 -34.843 769 HZ3 LYS 89 HZ3 LYS 89 -1.940 -7.932 -34.609 770 H SER 90 HN SER 90 -0.641 -7.895 -27.915 771 HA SER 90 HA SER 90 -0.456 -10.473 -29.357 772 HB2 SER 90 HB2 SER 90 1.089 -8.607 -30.101 773 HB3 SER 90 HB1 SER 90 1.787 -8.602 -28.486 774 HG SER 90 HG SER 90 1.993 -11.062 -29.141 775 H VAL 91 HN VAL 91 -1.206 -9.449 -26.394 776 HA VAL 91 HA VAL 91 0.519 -11.422 -24.985 777 HB VAL 91 HB VAL 91 -0.696 -9.061 -23.514 778 HG11 VAL 91 HG11 VAL 91 1.778 -10.747 -23.017 779 HG12 VAL 91 HG12 VAL 91 0.224 -10.922 -22.205 780 HG13 VAL 91 HG13 VAL 91 1.179 -9.459 -21.966 781 HG21 VAL 91 HG21 VAL 91 1.432 -7.808 -23.808 782 HG22 VAL 91 HG22 VAL 91 0.512 -7.971 -25.302 783 HG23 VAL 91 HG23 VAL 91 1.928 -8.979 -25.027 784 H ARG 92 HN ARG 92 -2.613 -9.667 -24.571 785 HA ARG 92 HA ARG 92 -4.440 -10.067 -23.311 786 HB2 ARG 92 HB2 ARG 92 -4.864 -12.075 -24.654 787 HB3 ARG 92 HB1 ARG 92 -3.695 -12.992 -23.718 788 HG2 ARG 92 HG2 ARG 92 -5.457 -12.217 -21.732 789 HG3 ARG 92 HG1 ARG 92 -6.546 -12.364 -23.108 790 HD2 ARG 92 HD2 ARG 92 -6.433 -14.459 -21.821 791 HD3 ARG 92 HD1 ARG 92 -5.806 -14.681 -23.459 792 HE ARG 92 HE ARG 92 -3.570 -14.118 -21.982 793 HH11 ARG 92 HH11 ARG 92 -6.063 -16.591 -21.704 794 HH12 ARG 92 HH12 ARG 92 -5.004 -17.734 -20.943 795 HH21 ARG 92 HH21 ARG 92 -2.213 -15.642 -20.981 796 HH22 ARG 92 HH22 ARG 92 -2.831 -17.202 -20.553 797 H GLY 93 HN GLY 93 -4.088 -9.218 -21.322 798 HA2 GLY 93 HA2 GLY 93 -3.983 -9.417 -18.991 799 HA3 GLY 93 HA1 GLY 93 -3.163 -10.958 -19.141 800 H LEU 94 HN LEU 94 -1.900 -8.378 -21.023 801 HA LEU 94 HA LEU 94 0.577 -8.201 -19.644 802 HB2 LEU 94 HB2 LEU 94 0.322 -7.635 -22.036 803 HB3 LEU 94 HB1 LEU 94 -0.611 -6.209 -21.616 804 HG LEU 94 HG LEU 94 1.377 -5.226 -20.507 805 HD11 LEU 94 HD11 LEU 94 2.868 -7.716 -21.398 806 HD12 LEU 94 HD12 LEU 94 2.510 -7.236 -19.733 807 HD13 LEU 94 HD13 LEU 94 3.603 -6.262 -20.712 808 HD21 LEU 94 HD21 LEU 94 2.745 -4.800 -22.519 809 HD22 LEU 94 HD22 LEU 94 1.021 -4.704 -22.864 810 HD23 LEU 94 HD23 LEU 94 1.937 -6.131 -23.352 811 H VAL 95 HN VAL 95 1.159 -7.061 -18.055 812 HA VAL 95 HA VAL 95 -0.542 -5.007 -16.707 813 HB VAL 95 HB VAL 95 1.468 -6.886 -15.336 814 HG11 VAL 95 HG11 VAL 95 -0.567 -4.977 -14.129 815 HG12 VAL 95 HG12 VAL 95 1.186 -4.772 -14.135 816 HG13 VAL 95 HG13 VAL 95 0.455 -6.090 -13.216 817 HG21 VAL 95 HG21 VAL 95 -0.474 -8.108 -14.402 818 HG22 VAL 95 HG22 VAL 95 -0.424 -8.220 -16.162 819 HG23 VAL 95 HG23 VAL 95 -1.568 -7.126 -15.380 820 H VAL 96 HN VAL 96 0.546 -2.939 -16.604 821 HA VAL 96 HA VAL 96 3.389 -2.936 -17.447 822 HB VAL 96 HB VAL 96 1.296 -1.006 -18.559 823 HG11 VAL 96 HG11 VAL 96 3.062 -0.371 -20.169 824 HG12 VAL 96 HG12 VAL 96 4.184 -1.475 -19.372 825 HG13 VAL 96 HG13 VAL 96 3.559 -0.075 -18.502 826 HG21 VAL 96 HG21 VAL 96 2.514 -3.402 -19.985 827 HG22 VAL 96 HG22 VAL 96 1.447 -2.194 -20.710 828 HG23 VAL 96 HG23 VAL 96 0.838 -3.261 -19.445 829 H VAL 97 HN VAL 97 4.419 -2.059 -15.759 830 HA VAL 97 HA VAL 97 3.086 -0.130 -13.957 831 HB VAL 97 HB VAL 97 5.674 -1.686 -13.472 832 HG11 VAL 97 HG11 VAL 97 5.296 -1.141 -11.080 833 HG12 VAL 97 HG12 VAL 97 3.880 -0.188 -11.528 834 HG13 VAL 97 HG13 VAL 97 5.482 0.310 -12.066 835 HG21 VAL 97 HG21 VAL 97 4.359 -3.257 -12.095 836 HG22 VAL 97 HG22 VAL 97 3.794 -3.265 -13.765 837 HG23 VAL 97 HG23 VAL 97 2.869 -2.412 -12.528 838 H HIS 98 HN HIS 98 3.618 2.038 -14.232 839 HA HIS 98 HA HIS 98 5.891 2.787 -15.915 840 HB2 HIS 98 HB2 HIS 98 3.548 3.687 -16.299 841 HB3 HIS 98 HB1 HIS 98 3.615 4.451 -14.727 842 HD2 HIS 98 HD2 HIS 98 4.657 5.120 -18.363 843 HE1 HIS 98 HE1 HIS 98 6.290 8.188 -15.991 844 HE2 HIS 98 HE2 HIS 98 6.044 7.291 -18.332 845 HA PRO 99 HA PRO 99 8.449 3.608 -12.355 846 HB2 PRO 99 HB2 PRO 99 10.072 5.683 -13.225 847 HB3 PRO 99 HB1 PRO 99 10.249 4.002 -13.750 848 HG2 PRO 99 HG2 PRO 99 8.808 6.266 -15.130 849 HG3 PRO 99 HG1 PRO 99 9.955 5.095 -15.811 850 HD2 PRO 99 HD2 PRO 99 7.315 4.777 -16.132 851 HD3 PRO 99 HD1 PRO 99 8.366 3.373 -15.843 852 H MET 100 HN MET 100 6.517 6.288 -13.567 853 HA MET 100 HA MET 100 7.135 7.982 -11.243 854 HB2 MET 100 HB2 MET 100 5.361 8.570 -13.640 855 HB3 MET 100 HB1 MET 100 5.764 9.720 -12.369 856 HG2 MET 100 HG2 MET 100 8.208 9.327 -13.030 857 HG3 MET 100 HG1 MET 100 7.573 8.557 -14.481 858 HE1 MET 100 HE1 MET 100 5.406 11.663 -15.889 859 HE2 MET 100 HE2 MET 100 4.842 10.491 -14.695 860 HE3 MET 100 HE3 MET 100 5.734 9.946 -16.117 861 H THR 101 HN THR 101 4.911 5.562 -11.945 862 HA THR 101 HA THR 101 2.589 6.578 -10.575 863 HB THR 101 HB THR 101 1.788 4.201 -10.501 864 HG1 THR 101 HG1 THR 101 3.768 3.146 -12.050 865 HG21 THR 101 HG21 THR 101 1.317 5.510 -12.520 866 HG22 THR 101 HG22 THR 101 1.649 3.831 -12.954 867 HG23 THR 101 HG23 THR 101 2.887 5.063 -13.195 868 H ALA 102 HN ALA 102 1.720 5.134 -8.678 869 HA ALA 102 HA ALA 102 3.158 5.626 -6.361 870 HB1 ALA 102 HB1 ALA 102 1.528 4.176 -5.221 871 HB2 ALA 102 HB2 ALA 102 0.975 3.560 -6.782 872 HB3 ALA 102 HB3 ALA 102 0.732 5.256 -6.366 873 H LEU 103 HN LEU 103 2.569 2.333 -7.826 874 HA LEU 103 HA LEU 103 4.359 0.984 -6.099 875 HB2 LEU 103 HB2 LEU 103 2.290 0.087 -7.352 876 HB3 LEU 103 HB1 LEU 103 3.255 0.124 -8.809 877 HG LEU 103 HG LEU 103 4.836 -1.530 -7.828 878 HD11 LEU 103 HD11 LEU 103 2.919 -1.612 -5.474 879 HD12 LEU 103 HD12 LEU 103 4.586 -1.031 -5.453 880 HD13 LEU 103 HD13 LEU 103 4.254 -2.735 -5.752 881 HD21 LEU 103 HD21 LEU 103 2.977 -2.336 -9.235 882 HD22 LEU 103 HD22 LEU 103 1.937 -2.459 -7.813 883 HD23 LEU 103 HD23 LEU 103 3.354 -3.501 -7.966 884 H GLY 104 HN GLY 104 4.480 1.921 -9.552 885 HA2 GLY 104 HA2 GLY 104 6.909 1.565 -10.391 886 HA3 GLY 104 HA1 GLY 104 6.122 3.115 -10.641 887 H ARG 105 HN ARG 105 6.333 4.170 -7.873 888 HA ARG 105 HA ARG 105 9.206 4.634 -7.807 889 HB2 ARG 105 HB2 ARG 105 6.902 5.993 -6.336 890 HB3 ARG 105 HB1 ARG 105 8.600 6.454 -6.206 891 HG2 ARG 105 HG2 ARG 105 8.572 6.915 -8.683 892 HG3 ARG 105 HG1 ARG 105 6.838 6.639 -8.661 893 HD2 ARG 105 HD2 ARG 105 8.252 8.770 -7.030 894 HD3 ARG 105 HD1 ARG 105 7.465 9.053 -8.584 895 HE ARG 105 HE ARG 105 5.684 7.862 -6.686 896 HH11 ARG 105 HH11 ARG 105 7.074 10.952 -7.642 897 HH12 ARG 105 HH12 ARG 105 5.796 11.881 -6.920 898 HH21 ARG 105 HH21 ARG 105 4.017 9.099 -5.745 899 HH22 ARG 105 HH22 ARG 105 4.066 10.830 -5.845 900 H GLU 106 HN GLU 106 6.694 2.759 -6.097 901 HA GLU 106 HA GLU 106 7.884 2.811 -3.538 902 HB2 GLU 106 HB2 GLU 106 5.477 2.362 -3.891 903 HB3 GLU 106 HB1 GLU 106 5.870 0.898 -4.784 904 HG2 GLU 106 HG2 GLU 106 5.139 0.367 -2.517 905 HG3 GLU 106 HG1 GLU 106 6.815 -0.115 -2.759 906 H MET 107 HN MET 107 7.653 0.094 -6.021 907 HA MET 107 HA MET 107 9.557 -1.565 -4.764 908 HB2 MET 107 HB2 MET 107 8.502 -1.387 -7.630 909 HB3 MET 107 HB1 MET 107 9.574 -2.670 -7.088 910 HG2 MET 107 HG2 MET 107 7.915 -3.659 -5.757 911 HG3 MET 107 HG1 MET 107 6.975 -2.175 -5.652 912 HE1 MET 107 HE1 MET 107 6.965 -4.838 -9.468 913 HE2 MET 107 HE2 MET 107 8.075 -5.086 -8.117 914 HE3 MET 107 HE3 MET 107 8.287 -3.698 -9.191 915 H GLY 108 HN GLY 108 9.788 1.285 -6.677 916 HA2 GLY 108 HA2 GLY 108 11.639 2.698 -6.767 917 HA3 GLY 108 HA1 GLY 108 12.692 1.356 -6.358 918 H LEU 109 HN LEU 109 10.305 1.433 -8.961 919 HA LEU 109 HA LEU 109 12.242 0.616 -10.931 920 HB2 LEU 109 HB2 LEU 109 9.358 1.480 -11.407 921 HB3 LEU 109 HB1 LEU 109 10.382 0.566 -12.503 922 HG LEU 109 HG LEU 109 9.166 -0.411 -9.894 923 HD11 LEU 109 HD11 LEU 109 7.984 -2.021 -11.298 924 HD12 LEU 109 HD12 LEU 109 8.765 -1.382 -12.744 925 HD13 LEU 109 HD13 LEU 109 7.634 -0.379 -11.834 926 HD21 LEU 109 HD21 LEU 109 11.468 -1.319 -10.104 927 HD22 LEU 109 HD22 LEU 109 11.059 -1.961 -11.701 928 HD23 LEU 109 HD23 LEU 109 10.235 -2.570 -10.265 929 H GLU 110 HN GLU 110 13.161 1.814 -12.499 930 HA GLU 110 HA GLU 110 12.607 4.733 -12.677 931 HB2 GLU 110 HB2 GLU 110 14.979 4.970 -13.394 932 HB3 GLU 110 HB1 GLU 110 14.835 4.301 -11.773 933 HG2 GLU 110 HG2 GLU 110 15.096 1.981 -12.898 934 HG3 GLU 110 HG1 GLU 110 15.626 2.876 -14.321 935 H GLU 111 HN GLU 111 11.748 2.060 -14.106 936 HA GLU 111 HA GLU 111 11.741 3.123 -16.846 937 HB2 GLU 111 HB2 GLU 111 12.534 1.028 -17.816 938 HB3 GLU 111 HB1 GLU 111 13.741 1.637 -16.698 939 HG2 GLU 111 HG2 GLU 111 11.783 -0.597 -16.049 940 HG3 GLU 111 HG1 GLU 111 13.412 -0.853 -16.658 941 H MET 112 HN MET 112 9.995 2.355 -18.112 942 HA MET 112 HA MET 112 7.658 1.412 -16.737 943 HB2 MET 112 HB2 MET 112 7.168 2.888 -18.558 944 HB3 MET 112 HB1 MET 112 8.267 2.041 -19.646 945 HG2 MET 112 HG2 MET 112 6.763 0.240 -19.960 946 HG3 MET 112 HG1 MET 112 5.791 0.690 -18.563 947 HE1 MET 112 HE1 MET 112 3.607 1.994 -18.760 948 HE2 MET 112 HE2 MET 112 3.470 3.411 -19.805 949 HE3 MET 112 HE3 MET 112 4.741 3.328 -18.586 950 H THR 113 HN THR 113 7.217 -0.715 -16.359 951 HA THR 113 HA THR 113 8.859 -2.722 -17.712 952 HB THR 113 HB THR 113 7.693 -2.867 -14.878 953 HG1 THR 113 HG1 THR 113 9.309 -1.135 -15.207 954 HG21 THR 113 HG21 THR 113 9.411 -4.620 -14.529 955 HG22 THR 113 HG22 THR 113 9.920 -4.460 -16.214 956 HG23 THR 113 HG23 THR 113 8.303 -5.059 -15.836 957 H GLY 114 HN GLY 114 7.545 -4.811 -18.118 958 HA2 GLY 114 HA2 GLY 114 4.716 -4.732 -17.398 959 HA3 GLY 114 HA1 GLY 114 5.177 -4.868 -19.092 960 H PHE 115 HN PHE 115 3.918 -6.681 -16.919 961 HA PHE 115 HA PHE 115 5.572 -9.114 -17.305 962 HB2 PHE 115 HB2 PHE 115 3.706 -8.509 -14.953 963 HB3 PHE 115 HB1 PHE 115 4.814 -9.865 -15.104 964 HD1 PHE 115 HD2 PHE 115 4.593 -6.189 -14.526 965 HD2 PHE 115 HD1 PHE 115 7.131 -9.635 -14.415 966 HE1 PHE 115 HE2 PHE 115 6.278 -4.918 -13.257 967 HE2 PHE 115 HE1 PHE 115 8.797 -8.357 -13.164 968 HZ PHE 115 HZ PHE 115 8.381 -6.004 -12.579 969 H SER 116 HN SER 116 4.262 -11.085 -17.942 970 HA SER 116 HA SER 116 1.452 -11.052 -17.180 971 HB2 SER 116 HB2 SER 116 1.680 -10.101 -19.527 972 HB3 SER 116 HB1 SER 116 2.415 -11.614 -20.028 973 HG SER 116 HG SER 116 -0.244 -11.091 -19.268 974 H LYS 117 HN LYS 117 0.421 -13.128 -17.804 975 HA LYS 117 HA LYS 117 1.974 -15.507 -17.209 976 HB2 LYS 117 HB2 LYS 117 -0.985 -15.029 -17.757 977 HB3 LYS 117 HB1 LYS 117 -0.313 -16.615 -17.410 978 HG2 LYS 117 HG2 LYS 117 -0.211 -14.239 -15.519 979 HG3 LYS 117 HG1 LYS 117 -1.394 -15.540 -15.431 980 HD2 LYS 117 HD2 LYS 117 1.614 -15.823 -15.080 981 HD3 LYS 117 HD1 LYS 117 0.409 -15.882 -13.794 982 HE2 LYS 117 HE2 LYS 117 -0.549 -17.932 -14.772 983 HE3 LYS 117 HE1 LYS 117 0.624 -17.860 -16.090 984 HZ1 LYS 117 HZ1 LYS 117 1.345 -18.128 -13.223 985 HZ2 LYS 117 HZ2 LYS 117 2.397 -18.205 -14.542 986 HZ3 LYS 117 HZ3 LYS 117 1.243 -19.416 -14.313 987 H THR 118 HN THR 118 1.368 -13.709 -19.937 988 HA THR 118 HA THR 118 1.470 -16.019 -21.772 989 HB THR 118 HB THR 118 0.147 -13.540 -22.818 990 HG1 THR 118 HG1 THR 118 -0.975 -13.379 -20.996 991 HG21 THR 118 HG21 THR 118 0.213 -15.670 -24.107 992 HG22 THR 118 HG22 THR 118 -1.441 -15.158 -23.772 993 HG23 THR 118 HG23 THR 118 -0.715 -16.459 -22.828 994 H THR 119 HN THR 119 2.755 -15.714 -23.605 995 HA THR 119 HA THR 119 5.055 -14.082 -23.169 996 HB THR 119 HB THR 119 5.205 -16.344 -24.148 997 HG1 THR 119 HG1 THR 119 6.448 -15.356 -26.179 998 HG21 THR 119 HG21 THR 119 3.999 -15.138 -26.664 999 HG22 THR 119 HG22 THR 119 3.225 -16.334 -25.627 1000 HG23 THR 119 HG23 THR 119 4.687 -16.759 -26.515 1001 H PHE 120 HN PHE 120 5.943 -12.456 -24.512 1002 HA PHE 120 HA PHE 120 4.428 -11.261 -26.645 1003 HB2 PHE 120 HB2 PHE 120 4.231 -9.008 -25.602 1004 HB3 PHE 120 HB1 PHE 120 3.233 -10.220 -24.822 1005 HD1 PHE 120 HD2 PHE 120 4.034 -11.204 -22.584 1006 HD2 PHE 120 HD1 PHE 120 5.759 -7.690 -24.313 1007 HE1 PHE 120 HE2 PHE 120 4.932 -10.557 -20.393 1008 HE2 PHE 120 HE1 PHE 120 6.649 -7.063 -22.115 1009 HZ PHE 120 HZ PHE 120 6.241 -8.491 -20.161 Start of MODEL 12 1 H MET 1 HT1 MET 1 -15.084 -5.665 -3.453 2 HA MET 1 HA MET 1 -16.343 -8.331 -3.349 3 HB2 MET 1 HB2 MET 1 -13.520 -7.481 -4.162 4 HB3 MET 1 HB1 MET 1 -14.033 -9.154 -3.949 5 HG2 MET 1 HG2 MET 1 -13.998 -8.569 -6.309 6 HG3 MET 1 HG1 MET 1 -15.652 -8.892 -5.788 7 HE1 MET 1 HE1 MET 1 -15.287 -7.536 -8.532 8 HE2 MET 1 HE2 MET 1 -16.340 -6.126 -8.446 9 HE3 MET 1 HE3 MET 1 -16.883 -7.669 -7.791 10 H LYS 2 HN LYS 2 -13.680 -6.290 -2.101 11 HA LYS 2 HA LYS 2 -14.295 -6.764 0.639 12 HB2 LYS 2 HB2 LYS 2 -13.189 -8.960 -0.010 13 HB3 LYS 2 HB1 LYS 2 -11.727 -8.065 -0.407 14 HG2 LYS 2 HG2 LYS 2 -11.525 -7.357 1.949 15 HG3 LYS 2 HG1 LYS 2 -13.003 -8.233 2.348 16 HD2 LYS 2 HD2 LYS 2 -10.438 -9.495 1.298 17 HD3 LYS 2 HD1 LYS 2 -10.948 -9.482 2.987 18 HE2 LYS 2 HE2 LYS 2 -12.942 -10.813 2.379 19 HE3 LYS 2 HE1 LYS 2 -12.412 -10.844 0.695 20 HZ1 LYS 2 HZ1 LYS 2 -10.951 -12.003 3.008 21 HZ2 LYS 2 HZ2 LYS 2 -10.410 -12.012 1.405 22 HZ3 LYS 2 HZ3 LYS 2 -11.805 -12.868 1.832 23 H GLU 3 HN GLU 3 -13.270 -5.224 1.922 24 HA GLU 3 HA GLU 3 -11.049 -3.606 0.886 25 HB2 GLU 3 HB2 GLU 3 -12.485 -1.482 1.596 26 HB3 GLU 3 HB1 GLU 3 -12.672 -2.179 0.000 27 HG2 GLU 3 HG2 GLU 3 -14.829 -1.550 0.997 28 HG3 GLU 3 HG1 GLU 3 -14.736 -3.267 0.631 29 H VAL 4 HN VAL 4 -11.795 -5.488 3.178 30 HA VAL 4 HA VAL 4 -12.036 -3.990 5.605 31 HB VAL 4 HB VAL 4 -11.035 -6.870 5.466 32 HG11 VAL 4 HG11 VAL 4 -12.277 -7.161 7.567 33 HG12 VAL 4 HG12 VAL 4 -12.859 -5.496 7.479 34 HG13 VAL 4 HG13 VAL 4 -11.141 -5.817 7.707 35 HG21 VAL 4 HG21 VAL 4 -13.943 -6.026 5.186 36 HG22 VAL 4 HG22 VAL 4 -13.353 -7.684 5.321 37 HG23 VAL 4 HG23 VAL 4 -12.944 -6.713 3.906 38 H GLU 5 HN GLU 5 -9.462 -5.481 3.919 39 HA GLU 5 HA GLU 5 -7.249 -5.323 5.659 40 HB2 GLU 5 HB2 GLU 5 -7.227 -5.089 2.612 41 HB3 GLU 5 HB1 GLU 5 -5.769 -5.243 3.583 42 HG2 GLU 5 HG2 GLU 5 -6.375 -7.379 2.588 43 HG3 GLU 5 HG1 GLU 5 -6.475 -7.456 4.348 44 H LYS 6 HN LYS 6 -8.111 -3.012 3.104 45 HA LYS 6 HA LYS 6 -6.427 -0.878 3.633 46 HB2 LYS 6 HB2 LYS 6 -9.349 -0.812 2.780 47 HB3 LYS 6 HB1 LYS 6 -8.388 0.651 2.900 48 HG2 LYS 6 HG2 LYS 6 -8.373 0.072 0.609 49 HG3 LYS 6 HG1 LYS 6 -6.779 -0.368 1.227 50 HD2 LYS 6 HD2 LYS 6 -7.532 -2.748 1.377 51 HD3 LYS 6 HD1 LYS 6 -9.091 -2.274 0.690 52 HE2 LYS 6 HE2 LYS 6 -7.911 -1.471 -1.351 53 HE3 LYS 6 HE1 LYS 6 -6.383 -2.040 -0.669 54 HZ1 LYS 6 HZ1 LYS 6 -7.260 -3.641 -2.191 55 HZ2 LYS 6 HZ2 LYS 6 -8.740 -3.691 -1.378 56 HZ3 LYS 6 HZ3 LYS 6 -7.347 -4.280 -0.626 57 H ASN 7 HN ASN 7 -9.486 -1.660 5.350 58 HA ASN 7 HA ASN 7 -9.518 0.608 7.078 59 HB2 ASN 7 HB2 ASN 7 -11.522 -0.836 6.666 60 HB3 ASN 7 HB1 ASN 7 -10.746 -2.147 7.540 61 HD21 ASN 7 HD21 ASN 7 -12.324 -2.300 9.102 62 HD22 ASN 7 HD22 ASN 7 -12.622 -1.083 10.291 63 H GLU 8 HN GLU 8 -8.127 -2.637 7.371 64 HA GLU 8 HA GLU 8 -7.278 -2.497 10.073 65 HB2 GLU 8 HB2 GLU 8 -6.657 -4.350 7.803 66 HB3 GLU 8 HB1 GLU 8 -5.482 -4.326 9.102 67 HG2 GLU 8 HG2 GLU 8 -6.896 -6.076 9.696 68 HG3 GLU 8 HG1 GLU 8 -7.450 -4.744 10.703 69 H ILE 9 HN ILE 9 -5.323 -1.909 7.048 70 HA ILE 9 HA ILE 9 -2.982 -1.144 8.321 71 HB ILE 9 HB ILE 9 -4.014 -0.143 5.624 72 HG12 ILE 9 HG12 ILE 9 -4.006 -2.634 5.731 73 HG13 ILE 9 HG11 ILE 9 -2.786 -2.051 4.607 74 HG21 ILE 9 HG21 ILE 9 -2.101 1.193 6.416 75 HG22 ILE 9 HG22 ILE 9 -1.636 0.211 5.029 76 HG23 ILE 9 HG23 ILE 9 -1.147 -0.274 6.655 77 HD11 ILE 9 HD11 ILE 9 -1.044 -2.477 6.294 78 HD12 ILE 9 HD12 ILE 9 -1.966 -3.928 5.907 79 HD13 ILE 9 HD13 ILE 9 -2.279 -3.065 7.412 80 H LYS 10 HN LYS 10 -5.825 0.771 7.429 81 HA LYS 10 HA LYS 10 -4.910 3.346 8.163 82 HB2 LYS 10 HB2 LYS 10 -6.923 2.896 6.785 83 HB3 LYS 10 HB1 LYS 10 -7.728 2.172 8.164 84 HG2 LYS 10 HG2 LYS 10 -6.856 5.064 8.258 85 HG3 LYS 10 HG1 LYS 10 -8.336 4.611 7.414 86 HD2 LYS 10 HD2 LYS 10 -9.185 3.594 9.536 87 HD3 LYS 10 HD1 LYS 10 -7.723 4.142 10.359 88 HE2 LYS 10 HE2 LYS 10 -8.329 6.482 9.911 89 HE3 LYS 10 HE1 LYS 10 -9.760 5.955 9.021 90 HZ1 LYS 10 HZ1 LYS 10 -9.269 5.379 11.892 91 HZ2 LYS 10 HZ2 LYS 10 -10.676 5.047 11.017 92 HZ3 LYS 10 HZ3 LYS 10 -10.227 6.647 11.319 93 H ARG 11 HN ARG 11 -6.641 0.910 9.919 94 HA ARG 11 HA ARG 11 -6.988 1.998 12.446 95 HB2 ARG 11 HB2 ARG 11 -8.005 -0.125 11.833 96 HB3 ARG 11 HB1 ARG 11 -6.423 -0.896 11.750 97 HG2 ARG 11 HG2 ARG 11 -6.120 -0.694 14.155 98 HG3 ARG 11 HG1 ARG 11 -7.624 0.228 14.298 99 HD2 ARG 11 HD2 ARG 11 -7.410 -2.665 13.381 100 HD3 ARG 11 HD1 ARG 11 -7.919 -2.124 14.983 101 HE ARG 11 HE ARG 11 -9.819 -0.995 13.868 102 HH11 ARG 11 HH11 ARG 11 -8.338 -3.693 12.235 103 HH12 ARG 11 HH12 ARG 11 -9.735 -4.042 11.275 104 HH21 ARG 11 HH21 ARG 11 -11.649 -1.472 12.628 105 HH22 ARG 11 HH22 ARG 11 -11.622 -2.795 11.512 106 H LEU 12 HN LEU 12 -4.146 -0.109 11.597 107 HA LEU 12 HA LEU 12 -2.758 0.418 14.012 108 HB2 LEU 12 HB2 LEU 12 -0.778 -0.616 12.935 109 HB3 LEU 12 HB1 LEU 12 -2.242 -1.562 12.781 110 HG LEU 12 HG LEU 12 -2.336 -0.312 10.381 111 HD11 LEU 12 HD11 LEU 12 -0.126 -0.134 9.346 112 HD12 LEU 12 HD12 LEU 12 0.644 -0.439 10.904 113 HD13 LEU 12 HD13 LEU 12 -0.322 1.019 10.664 114 HD21 LEU 12 HD21 LEU 12 -2.425 -2.732 10.696 115 HD22 LEU 12 HD22 LEU 12 -0.670 -2.793 10.909 116 HD23 LEU 12 HD23 LEU 12 -1.361 -2.308 9.355 117 H SER 13 HN SER 13 -2.428 1.981 10.797 118 HA SER 13 HA SER 13 -0.552 3.929 11.317 119 HB2 SER 13 HB2 SER 13 -3.166 4.288 9.786 120 HB3 SER 13 HB1 SER 13 -1.774 5.371 9.674 121 HG SER 13 HG SER 13 -1.438 2.616 9.203 122 H ASP 14 HN ASP 14 -4.096 4.370 11.955 123 HA ASP 14 HA ASP 14 -4.129 6.658 13.450 124 HB2 ASP 14 HB2 ASP 14 -6.196 5.578 12.757 125 HB3 ASP 14 HB1 ASP 14 -5.812 4.127 13.665 126 H ARG 15 HN ARG 15 -3.212 3.436 14.466 127 HA ARG 15 HA ARG 15 -3.349 3.861 17.304 128 HB2 ARG 15 HB2 ARG 15 -3.282 1.556 16.204 129 HB3 ARG 15 HB1 ARG 15 -1.552 1.787 15.964 130 HG2 ARG 15 HG2 ARG 15 -1.963 0.449 17.981 131 HG3 ARG 15 HG1 ARG 15 -1.219 1.998 18.402 132 HD2 ARG 15 HD2 ARG 15 -3.671 2.823 18.773 133 HD3 ARG 15 HD1 ARG 15 -4.083 1.109 18.793 134 HE ARG 15 HE ARG 15 -2.460 0.913 20.678 135 HH11 ARG 15 HH11 ARG 15 -3.975 4.023 20.036 136 HH12 ARG 15 HH12 ARG 15 -3.904 4.524 21.698 137 HH21 ARG 15 HH21 ARG 15 -2.406 1.563 22.850 138 HH22 ARG 15 HH22 ARG 15 -3.014 3.127 23.298 139 H LEU 16 HN LEU 16 -0.526 3.644 15.118 140 HA LEU 16 HA LEU 16 1.403 4.476 17.002 141 HB2 LEU 16 HB2 LEU 16 1.679 3.222 14.707 142 HB3 LEU 16 HB1 LEU 16 1.732 4.822 14.002 143 HG LEU 16 HG LEU 16 3.989 3.735 14.374 144 HD11 LEU 16 HD11 LEU 16 3.662 6.346 15.859 145 HD12 LEU 16 HD12 LEU 16 3.869 6.154 14.117 146 HD13 LEU 16 HD13 LEU 16 5.166 5.682 15.211 147 HD21 LEU 16 HD21 LEU 16 4.960 3.620 16.609 148 HD22 LEU 16 HD22 LEU 16 3.526 2.604 16.492 149 HD23 LEU 16 HD23 LEU 16 3.435 4.159 17.322 150 H ASP 17 HN ASP 17 -0.443 6.324 14.491 151 HA ASP 17 HA ASP 17 0.705 8.818 14.778 152 HB2 ASP 17 HB2 ASP 17 -1.026 8.174 13.071 153 HB3 ASP 17 HB1 ASP 17 -2.258 8.264 14.325 154 H ALA 18 HN ALA 18 -2.355 7.894 16.422 155 HA ALA 18 HA ALA 18 -2.604 9.596 18.448 156 HB1 ALA 18 HB1 ALA 18 -4.071 7.659 18.114 157 HB2 ALA 18 HB2 ALA 18 -3.622 7.840 19.811 158 HB3 ALA 18 HB3 ALA 18 -2.848 6.599 18.818 159 H ILE 19 HN ILE 19 -0.189 6.964 18.500 160 HA ILE 19 HA ILE 19 0.552 7.482 21.255 161 HB ILE 19 HB ILE 19 1.771 5.619 19.181 162 HG12 ILE 19 HG12 ILE 19 0.066 5.161 21.682 163 HG13 ILE 19 HG11 ILE 19 -0.446 4.943 20.009 164 HG21 ILE 19 HG21 ILE 19 3.171 4.632 20.980 165 HG22 ILE 19 HG22 ILE 19 2.630 5.885 22.099 166 HG23 ILE 19 HG23 ILE 19 3.605 6.317 20.692 167 HD11 ILE 19 HD11 ILE 19 1.584 3.299 21.506 168 HD12 ILE 19 HD12 ILE 19 1.155 3.092 19.807 169 HD13 ILE 19 HD13 ILE 19 -0.055 2.823 21.061 170 H ARG 20 HN ARG 20 2.221 8.185 18.105 171 HA ARG 20 HA ARG 20 4.397 9.501 19.197 172 HB2 ARG 20 HB2 ARG 20 4.801 10.435 16.955 173 HB3 ARG 20 HB1 ARG 20 4.397 8.731 16.880 174 HG2 ARG 20 HG2 ARG 20 3.200 9.540 15.067 175 HG3 ARG 20 HG1 ARG 20 1.974 9.597 16.323 176 HD2 ARG 20 HD2 ARG 20 2.753 12.061 16.660 177 HD3 ARG 20 HD1 ARG 20 3.502 11.877 15.075 178 HE ARG 20 HE ARG 20 0.932 11.096 14.639 179 HH11 ARG 20 HH11 ARG 20 2.289 14.000 16.126 180 HH12 ARG 20 HH12 ARG 20 0.982 15.015 15.606 181 HH21 ARG 20 HH21 ARG 20 -0.787 12.468 14.019 182 HH22 ARG 20 HH22 ARG 20 -0.752 14.151 14.446 183 H HIS 21 HN HIS 21 1.195 10.890 18.206 184 HA HIS 21 HA HIS 21 1.667 13.523 18.849 185 HB2 HIS 21 HB2 HIS 21 -0.352 12.455 17.662 186 HB3 HIS 21 HB1 HIS 21 -0.965 12.028 19.249 187 HD1 HIS 21 HD1 HIS 21 -1.916 13.926 20.715 188 HD2 HIS 21 HD2 HIS 21 -0.443 15.228 17.057 189 HE1 HIS 21 HE1 HIS 21 -2.745 16.277 20.456 190 HE2 HIS 21 HE2 HIS 21 -1.674 17.106 18.333 191 H GLN 22 HN GLN 22 0.534 10.854 20.783 192 HA GLN 22 HA GLN 22 -0.087 12.056 23.222 193 HB2 GLN 22 HB2 GLN 22 -0.732 9.791 22.841 194 HB3 GLN 22 HB1 GLN 22 0.916 9.297 22.491 195 HG2 GLN 22 HG2 GLN 22 1.494 9.684 24.880 196 HG3 GLN 22 HG1 GLN 22 -0.206 10.039 25.196 197 HE21 GLN 22 HE21 GLN 22 0.999 7.540 23.007 198 HE22 GLN 22 HE22 GLN 22 0.404 6.203 23.912 199 H GLN 23 HN GLN 23 3.016 10.859 21.985 200 HA GLN 23 HA GLN 23 4.501 11.638 24.354 201 HB2 GLN 23 HB2 GLN 23 5.370 10.605 21.634 202 HB3 GLN 23 HB1 GLN 23 6.473 10.876 22.993 203 HG2 GLN 23 HG2 GLN 23 5.390 9.194 24.317 204 HG3 GLN 23 HG1 GLN 23 4.055 9.064 23.172 205 HE21 GLN 23 HE21 GLN 23 7.426 8.284 23.739 206 HE22 GLN 23 HE22 GLN 23 7.539 7.075 22.513 207 H ALA 24 HN ALA 24 3.665 13.246 21.291 208 HA ALA 24 HA ALA 24 5.391 15.495 21.904 209 HB1 ALA 24 HB1 ALA 24 4.749 15.006 19.592 210 HB2 ALA 24 HB2 ALA 24 4.183 16.608 20.075 211 HB3 ALA 24 HB3 ALA 24 3.049 15.255 19.994 212 H ASP 25 HN ASP 25 2.402 14.327 23.130 213 HA ASP 25 HA ASP 25 1.466 16.911 24.166 214 HB2 ASP 25 HB2 ASP 25 0.460 14.065 24.644 215 HB3 ASP 25 HB1 ASP 25 -0.257 15.498 25.354 216 H LEU 26 HN LEU 26 3.226 14.024 24.984 217 HA LEU 26 HA LEU 26 3.774 14.995 27.717 218 HB2 LEU 26 HB2 LEU 26 4.523 12.302 26.506 219 HB3 LEU 26 HB1 LEU 26 4.735 12.792 28.184 220 HG LEU 26 HG LEU 26 2.137 12.141 26.741 221 HD11 LEU 26 HD11 LEU 26 1.876 10.463 28.477 222 HD12 LEU 26 HD12 LEU 26 3.367 10.991 29.259 223 HD13 LEU 26 HD13 LEU 26 3.421 10.255 27.655 224 HD21 LEU 26 HD21 LEU 26 2.385 13.415 29.489 225 HD22 LEU 26 HD22 LEU 26 0.907 12.749 28.788 226 HD23 LEU 26 HD23 LEU 26 1.674 14.149 28.049 227 H SER 27 HN SER 27 6.008 14.725 28.444 228 HA SER 27 HA SER 27 8.080 15.010 26.386 229 HB2 SER 27 HB2 SER 27 7.524 17.304 27.067 230 HB3 SER 27 HB1 SER 27 7.685 16.871 28.767 231 HG SER 27 HG SER 27 9.536 17.890 27.382 232 H LEU 28 HN LEU 28 10.146 14.408 27.099 233 HA LEU 28 HA LEU 28 10.423 12.416 29.055 234 HB2 LEU 28 HB2 LEU 28 12.781 12.428 28.592 235 HB3 LEU 28 HB1 LEU 28 11.915 12.611 27.094 236 HG LEU 28 HG LEU 28 13.822 13.944 26.850 237 HD11 LEU 28 HD11 LEU 28 13.126 16.249 26.643 238 HD12 LEU 28 HD12 LEU 28 11.702 15.935 27.640 239 HD13 LEU 28 HD13 LEU 28 11.880 15.144 26.072 240 HD21 LEU 28 HD21 LEU 28 14.685 15.580 28.449 241 HD22 LEU 28 HD22 LEU 28 14.624 13.952 29.122 242 HD23 LEU 28 HD23 LEU 28 13.406 15.141 29.589 243 H VAL 29 HN VAL 29 10.488 15.850 29.273 244 HA VAL 29 HA VAL 29 11.819 16.069 31.831 245 HB VAL 29 HB VAL 29 10.082 18.136 30.389 246 HG11 VAL 29 HG11 VAL 29 12.182 18.525 32.558 247 HG12 VAL 29 HG12 VAL 29 10.438 18.716 32.749 248 HG13 VAL 29 HG13 VAL 29 11.334 19.820 31.708 249 HG21 VAL 29 HG21 VAL 29 11.913 17.414 28.918 250 HG22 VAL 29 HG22 VAL 29 13.092 17.735 30.192 251 HG23 VAL 29 HG23 VAL 29 12.186 19.067 29.473 252 H GLU 30 HN GLU 30 8.397 16.349 30.708 253 HA GLU 30 HA GLU 30 7.443 16.923 33.386 254 HB2 GLU 30 HB2 GLU 30 5.232 17.196 32.389 255 HB3 GLU 30 HB1 GLU 30 6.426 18.018 31.390 256 HG2 GLU 30 HG2 GLU 30 6.417 16.044 29.847 257 HG3 GLU 30 HG1 GLU 30 5.133 15.333 30.815 258 H ALA 31 HN ALA 31 7.558 14.108 31.295 259 HA ALA 31 HA ALA 31 6.500 12.386 33.429 260 HB1 ALA 31 HB1 ALA 31 4.524 12.920 32.019 261 HB2 ALA 31 HB2 ALA 31 4.965 11.220 31.873 262 HB3 ALA 31 HB3 ALA 31 5.383 12.352 30.586 263 H ALA 32 HN ALA 32 8.855 12.102 33.458 264 HA ALA 32 HA ALA 32 10.515 11.307 31.419 265 HB1 ALA 32 HB1 ALA 32 10.752 10.521 34.336 266 HB2 ALA 32 HB2 ALA 32 11.310 12.037 33.628 267 HB3 ALA 32 HB3 ALA 32 12.062 10.513 33.152 268 H ASP 33 HN ASP 33 9.020 9.019 33.797 269 HA ASP 33 HA ASP 33 10.042 6.722 32.445 270 HB2 ASP 33 HB2 ASP 33 9.662 6.757 34.903 271 HB3 ASP 33 HB1 ASP 33 7.930 6.921 34.641 272 H LYS 34 HN LYS 34 6.698 8.032 32.863 273 HA LYS 34 HA LYS 34 5.235 6.367 31.299 274 HB2 LYS 34 HB2 LYS 34 4.704 8.687 32.592 275 HB3 LYS 34 HB1 LYS 34 4.721 9.326 30.956 276 HG2 LYS 34 HG2 LYS 34 2.922 7.100 31.994 277 HG3 LYS 34 HG1 LYS 34 2.444 8.782 31.750 278 HD2 LYS 34 HD2 LYS 34 2.899 8.496 29.306 279 HD3 LYS 34 HD1 LYS 34 3.268 6.796 29.597 280 HE2 LYS 34 HE2 LYS 34 0.972 6.414 30.373 281 HE3 LYS 34 HE1 LYS 34 0.601 8.128 30.181 282 HZ1 LYS 34 HZ1 LYS 34 -0.202 6.777 28.339 283 HZ2 LYS 34 HZ2 LYS 34 1.376 6.301 27.979 284 HZ3 LYS 34 HZ3 LYS 34 0.926 7.924 27.822 285 H TYR 35 HN TYR 35 7.180 9.077 30.147 286 HA TYR 35 HA TYR 35 6.626 8.827 27.346 287 HB2 TYR 35 HB2 TYR 35 7.491 10.931 28.225 288 HB3 TYR 35 HB1 TYR 35 8.951 10.146 28.805 289 HD1 TYR 35 HD2 TYR 35 7.117 11.105 25.686 290 HD2 TYR 35 HD1 TYR 35 10.871 9.927 27.365 291 HE1 TYR 35 HE2 TYR 35 8.236 11.626 23.563 292 HE2 TYR 35 HE1 TYR 35 11.988 10.453 25.243 293 HH TYR 35 HH TYR 35 11.361 10.595 22.836 294 H ALA 36 HN ALA 36 9.079 7.498 29.511 295 HA ALA 36 HA ALA 36 10.822 6.354 27.597 296 HB1 ALA 36 HB1 ALA 36 11.477 6.732 29.932 297 HB2 ALA 36 HB2 ALA 36 11.754 5.055 29.460 298 HB3 ALA 36 HB3 ALA 36 10.360 5.476 30.463 299 H GLU 37 HN GLU 37 8.159 4.839 29.448 300 HA GLU 37 HA GLU 37 8.119 2.329 28.295 301 HB2 GLU 37 HB2 GLU 37 5.860 4.019 29.458 302 HB3 GLU 37 HB1 GLU 37 5.735 2.288 29.133 303 HG2 GLU 37 HG2 GLU 37 7.765 3.505 31.034 304 HG3 GLU 37 HG1 GLU 37 6.172 2.933 31.534 305 H LEU 38 HN LEU 38 6.277 5.205 27.502 306 HA LEU 38 HA LEU 38 4.960 4.280 25.223 307 HB2 LEU 38 HB2 LEU 38 5.888 7.071 25.876 308 HB3 LEU 38 HB1 LEU 38 4.911 6.704 24.463 309 HG LEU 38 HG LEU 38 4.080 6.269 27.350 310 HD11 LEU 38 HD11 LEU 38 2.458 8.069 26.922 311 HD12 LEU 38 HD12 LEU 38 3.155 8.316 25.319 312 HD13 LEU 38 HD13 LEU 38 4.124 8.622 26.764 313 HD21 LEU 38 HD21 LEU 38 2.497 5.759 24.807 314 HD22 LEU 38 HD22 LEU 38 1.864 5.664 26.453 315 HD23 LEU 38 HD23 LEU 38 3.104 4.531 25.922 316 H GLU 39 HN GLU 39 8.244 5.666 25.341 317 HA GLU 39 HA GLU 39 8.936 5.405 22.639 318 HB2 GLU 39 HB2 GLU 39 10.607 5.179 25.163 319 HB3 GLU 39 HB1 GLU 39 11.329 5.029 23.567 320 HG2 GLU 39 HG2 GLU 39 9.871 7.456 24.666 321 HG3 GLU 39 HG1 GLU 39 11.614 7.285 24.471 322 H LYS 40 HN LYS 40 8.846 2.998 25.209 323 HA LYS 40 HA LYS 40 9.963 0.819 23.681 324 HB2 LYS 40 HB2 LYS 40 8.285 0.720 26.215 325 HB3 LYS 40 HB1 LYS 40 9.216 -0.626 25.552 326 HG2 LYS 40 HG2 LYS 40 11.304 0.591 25.933 327 HG3 LYS 40 HG1 LYS 40 10.405 2.005 26.491 328 HD2 LYS 40 HD2 LYS 40 9.497 0.628 28.377 329 HD3 LYS 40 HD1 LYS 40 10.516 -0.717 27.847 330 HE2 LYS 40 HE2 LYS 40 12.529 0.663 28.247 331 HE3 LYS 40 HE1 LYS 40 11.511 2.012 28.757 332 HZ1 LYS 40 HZ1 LYS 40 11.732 -0.620 30.102 333 HZ2 LYS 40 HZ2 LYS 40 10.692 0.625 30.573 334 HZ3 LYS 40 HZ3 LYS 40 12.367 0.845 30.648 335 H GLU 41 HN GLU 41 6.562 1.504 24.668 336 HA GLU 41 HA GLU 41 5.145 -0.355 23.267 337 HB2 GLU 41 HB2 GLU 41 4.391 2.571 23.698 338 HB3 GLU 41 HB1 GLU 41 3.263 1.310 23.196 339 HG2 GLU 41 HG2 GLU 41 4.730 1.500 25.845 340 HG3 GLU 41 HG1 GLU 41 3.011 1.769 25.563 341 H LYS 42 HN LYS 42 6.237 2.770 22.164 342 HA LYS 42 HA LYS 42 5.386 2.694 19.477 343 HB2 LYS 42 HB2 LYS 42 6.252 4.756 20.572 344 HB3 LYS 42 HB1 LYS 42 7.864 4.045 20.641 345 HG2 LYS 42 HG2 LYS 42 7.743 3.920 18.067 346 HG3 LYS 42 HG1 LYS 42 6.319 4.965 18.196 347 HD2 LYS 42 HD2 LYS 42 9.134 5.606 19.174 348 HD3 LYS 42 HD1 LYS 42 8.347 6.295 17.751 349 HE2 LYS 42 HE2 LYS 42 6.682 7.381 19.167 350 HE3 LYS 42 HE1 LYS 42 7.372 6.623 20.602 351 HZ1 LYS 42 HZ1 LYS 42 8.059 8.907 20.356 352 HZ2 LYS 42 HZ2 LYS 42 8.764 8.567 18.862 353 HZ3 LYS 42 HZ3 LYS 42 9.391 7.870 20.271 354 H ALA 43 HN ALA 43 8.527 1.863 20.918 355 HA ALA 43 HA ALA 43 9.934 1.009 18.698 356 HB1 ALA 43 HB1 ALA 43 10.986 1.403 20.887 357 HB2 ALA 43 HB2 ALA 43 11.449 -0.171 20.233 358 HB3 ALA 43 HB3 ALA 43 10.240 -0.066 21.518 359 H THR 44 HN THR 44 7.990 -1.042 20.850 360 HA THR 44 HA THR 44 8.311 -3.502 19.549 361 HB THR 44 HB THR 44 6.061 -2.549 21.378 362 HG1 THR 44 HG1 THR 44 7.551 -2.611 22.853 363 HG21 THR 44 HG21 THR 44 5.718 -4.933 21.938 364 HG22 THR 44 HG22 THR 44 6.953 -5.402 20.770 365 HG23 THR 44 HG23 THR 44 5.451 -4.663 20.215 366 H LEU 45 HN LEU 45 5.648 -1.101 19.461 367 HA LEU 45 HA LEU 45 4.132 -2.253 17.455 368 HB2 LEU 45 HB2 LEU 45 4.613 0.668 18.031 369 HB3 LEU 45 HB1 LEU 45 3.699 0.201 16.606 370 HG LEU 45 HG LEU 45 2.938 -0.311 19.501 371 HD11 LEU 45 HD11 LEU 45 0.972 1.048 18.964 372 HD12 LEU 45 HD12 LEU 45 1.582 1.293 17.325 373 HD13 LEU 45 HD13 LEU 45 2.470 1.942 18.706 374 HD21 LEU 45 HD21 LEU 45 1.530 -1.346 17.016 375 HD22 LEU 45 HD22 LEU 45 0.901 -1.428 18.663 376 HD23 LEU 45 HD23 LEU 45 2.355 -2.324 18.234 377 H GLU 46 HN GLU 46 7.011 -0.156 16.942 378 HA GLU 46 HA GLU 46 7.031 -0.346 14.127 379 HB2 GLU 46 HB2 GLU 46 9.315 0.340 16.016 380 HB3 GLU 46 HB1 GLU 46 9.296 0.634 14.274 381 HG2 GLU 46 HG2 GLU 46 7.334 2.126 14.586 382 HG3 GLU 46 HG1 GLU 46 7.451 1.877 16.322 383 H ALA 47 HN ALA 47 8.069 -2.505 16.557 384 HA ALA 47 HA ALA 47 10.149 -3.901 15.037 385 HB1 ALA 47 HB1 ALA 47 8.906 -4.626 17.723 386 HB2 ALA 47 HB2 ALA 47 10.392 -3.707 17.489 387 HB3 ALA 47 HB3 ALA 47 10.321 -5.401 17.000 388 H GLU 48 HN GLU 48 7.017 -4.700 16.399 389 HA GLU 48 HA GLU 48 6.247 -7.030 15.191 390 HB2 GLU 48 HB2 GLU 48 5.087 -5.888 17.069 391 HB3 GLU 48 HB1 GLU 48 4.630 -4.569 16.014 392 HG2 GLU 48 HG2 GLU 48 2.658 -5.746 16.173 393 HG3 GLU 48 HG1 GLU 48 3.329 -6.360 14.666 394 H ILE 49 HN ILE 49 5.250 -3.774 14.260 395 HA ILE 49 HA ILE 49 3.866 -4.577 11.956 396 HB ILE 49 HB ILE 49 3.593 -2.304 11.221 397 HG12 ILE 49 HG12 ILE 49 5.798 -1.560 13.194 398 HG13 ILE 49 HG11 ILE 49 5.822 -1.345 11.449 399 HG21 ILE 49 HG21 ILE 49 2.211 -3.055 13.102 400 HG22 ILE 49 HG22 ILE 49 2.530 -1.325 13.213 401 HG23 ILE 49 HG23 ILE 49 3.412 -2.449 14.247 402 HD11 ILE 49 HD11 ILE 49 5.509 0.763 12.563 403 HD12 ILE 49 HD12 ILE 49 4.102 0.144 13.424 404 HD13 ILE 49 HD13 ILE 49 4.044 0.349 11.671 405 H ALA 50 HN ALA 50 7.281 -3.228 12.104 406 HA ALA 50 HA ALA 50 7.798 -3.650 9.391 407 HB1 ALA 50 HB1 ALA 50 9.153 -2.236 10.856 408 HB2 ALA 50 HB2 ALA 50 10.149 -3.417 10.002 409 HB3 ALA 50 HB3 ALA 50 9.745 -3.668 11.704 410 H ARG 51 HN ARG 51 8.125 -5.935 12.111 411 HA ARG 51 HA ARG 51 9.402 -8.056 10.758 412 HB2 ARG 51 HB2 ARG 51 8.980 -8.001 13.258 413 HB3 ARG 51 HB1 ARG 51 7.298 -8.397 12.943 414 HG2 ARG 51 HG2 ARG 51 8.442 -10.425 13.587 415 HG3 ARG 51 HG1 ARG 51 8.049 -10.544 11.869 416 HD2 ARG 51 HD2 ARG 51 10.382 -9.792 11.340 417 HD3 ARG 51 HD1 ARG 51 10.749 -9.840 13.069 418 HE ARG 51 HE ARG 51 9.729 -12.343 12.248 419 HH11 ARG 51 HH11 ARG 51 12.629 -10.396 11.825 420 HH12 ARG 51 HH12 ARG 51 13.662 -11.775 11.645 421 HH21 ARG 51 HH21 ARG 51 11.087 -14.119 11.969 422 HH22 ARG 51 HH22 ARG 51 12.785 -13.884 11.709 423 H LEU 52 HN LEU 52 5.996 -7.473 11.249 424 HA LEU 52 HA LEU 52 4.833 -9.311 9.534 425 HB2 LEU 52 HB2 LEU 52 3.954 -6.644 10.615 426 HB3 LEU 52 HB1 LEU 52 3.028 -7.306 9.282 427 HG LEU 52 HG LEU 52 2.017 -7.825 11.491 428 HD11 LEU 52 HD11 LEU 52 2.984 -10.288 10.013 429 HD12 LEU 52 HD12 LEU 52 1.577 -9.304 9.601 430 HD13 LEU 52 HD13 LEU 52 1.605 -10.200 11.114 431 HD21 LEU 52 HD21 LEU 52 3.053 -9.447 13.010 432 HD22 LEU 52 HD22 LEU 52 4.043 -8.000 12.852 433 HD23 LEU 52 HD23 LEU 52 4.508 -9.480 12.009 434 H ARG 53 HN ARG 53 6.084 -5.998 8.774 435 HA ARG 53 HA ARG 53 5.538 -6.317 5.970 436 HB2 ARG 53 HB2 ARG 53 6.713 -4.104 7.665 437 HB3 ARG 53 HB1 ARG 53 6.662 -4.003 5.906 438 HG2 ARG 53 HG2 ARG 53 4.220 -4.114 5.927 439 HG3 ARG 53 HG1 ARG 53 4.201 -4.317 7.683 440 HD2 ARG 53 HD2 ARG 53 3.696 -1.984 6.955 441 HD3 ARG 53 HD1 ARG 53 5.127 -2.083 7.992 442 HE ARG 53 HE ARG 53 5.805 -2.250 5.226 443 HH11 ARG 53 HH11 ARG 53 4.931 0.127 7.650 444 HH12 ARG 53 HH12 ARG 53 5.821 1.396 6.878 445 HH21 ARG 53 HH21 ARG 53 6.992 -0.596 4.262 446 HH22 ARG 53 HH22 ARG 53 6.990 0.993 4.965 447 H GLU 54 HN GLU 54 8.060 -7.593 7.807 448 HA GLU 54 HA GLU 54 9.788 -7.581 5.404 449 HB2 GLU 54 HB2 GLU 54 11.536 -8.555 6.638 450 HB3 GLU 54 HB1 GLU 54 10.834 -7.389 7.748 451 HG2 GLU 54 HG2 GLU 54 9.762 -9.147 9.007 452 HG3 GLU 54 HG1 GLU 54 10.226 -10.356 7.812 453 H VAL 55 HN VAL 55 7.613 -9.562 7.269 454 HA VAL 55 HA VAL 55 7.684 -11.897 5.556 455 HB VAL 55 HB VAL 55 5.392 -10.901 7.337 456 HG11 VAL 55 HG11 VAL 55 4.576 -13.248 7.268 457 HG12 VAL 55 HG12 VAL 55 5.873 -13.660 6.143 458 HG13 VAL 55 HG13 VAL 55 4.618 -12.519 5.661 459 HG21 VAL 55 HG21 VAL 55 6.202 -12.492 9.051 460 HG22 VAL 55 HG22 VAL 55 7.437 -11.290 8.672 461 HG23 VAL 55 HG23 VAL 55 7.569 -12.920 8.017 462 H HIS 56 HN HIS 56 6.418 -8.694 5.466 463 HA HIS 56 HA HIS 56 5.023 -9.204 2.920 464 HB2 HIS 56 HB2 HIS 56 4.312 -7.173 5.075 465 HB3 HIS 56 HB1 HIS 56 3.740 -7.035 3.416 466 HD1 HIS 56 HD1 HIS 56 1.533 -8.069 3.012 467 HD2 HIS 56 HD2 HIS 56 3.434 -9.801 6.278 468 HE1 HIS 56 HE1 HIS 56 -0.129 -9.681 3.983 469 HE2 HIS 56 HE2 HIS 56 0.977 -10.566 6.060 470 H SER 57 HN SER 57 7.862 -8.826 3.411 471 HA SER 57 HA SER 57 8.214 -6.633 1.439 472 HB2 SER 57 HB2 SER 57 9.408 -5.981 3.518 473 HB3 SER 57 HB1 SER 57 10.276 -7.515 3.519 474 HG SER 57 HG SER 57 10.398 -5.661 1.372 475 H GLN 58 HN GLN 58 9.744 -9.591 2.759 476 HA GLN 58 HA GLN 58 10.860 -10.647 0.405 477 HB2 GLN 58 HB2 GLN 58 9.614 -12.184 2.729 478 HB3 GLN 58 HB1 GLN 58 10.783 -12.832 1.579 479 HG2 GLN 58 HG2 GLN 58 12.549 -11.492 2.477 480 HG3 GLN 58 HG1 GLN 58 11.426 -10.496 3.404 481 HE21 GLN 58 HE21 GLN 58 12.342 -10.871 5.394 482 HE22 GLN 58 HE22 GLN 58 12.330 -12.410 6.178 483 H LYS 59 HN LYS 59 7.633 -11.010 1.878 484 HA LYS 59 HA LYS 59 6.495 -11.674 -0.763 485 HB2 LYS 59 HB2 LYS 59 5.178 -12.064 1.959 486 HB3 LYS 59 HB1 LYS 59 4.489 -12.501 0.414 487 HG2 LYS 59 HG2 LYS 59 5.195 -14.546 1.309 488 HG3 LYS 59 HG1 LYS 59 6.470 -14.126 0.164 489 HD2 LYS 59 HD2 LYS 59 7.873 -13.303 2.039 490 HD3 LYS 59 HD1 LYS 59 6.588 -13.713 3.181 491 HE2 LYS 59 HE2 LYS 59 6.807 -16.096 2.566 492 HE3 LYS 59 HE1 LYS 59 8.073 -15.686 1.406 493 HZ1 LYS 59 HZ1 LYS 59 9.470 -14.951 3.183 494 HZ2 LYS 59 HZ2 LYS 59 8.939 -16.516 3.534 495 HZ3 LYS 59 HZ3 LYS 59 8.248 -15.191 4.328 496 H LEU 60 HN LEU 60 6.999 -9.333 -1.129 497 HA LEU 60 HA LEU 60 6.461 -7.110 0.318 498 HB2 LEU 60 HB2 LEU 60 7.542 -7.235 -1.979 499 HB3 LEU 60 HB1 LEU 60 5.942 -7.207 -2.689 500 HG LEU 60 HG LEU 60 7.028 -4.913 -0.984 501 HD11 LEU 60 HD11 LEU 60 7.134 -5.108 -4.007 502 HD12 LEU 60 HD12 LEU 60 8.513 -5.200 -2.910 503 HD13 LEU 60 HD13 LEU 60 7.589 -3.703 -3.032 504 HD21 LEU 60 HD21 LEU 60 4.584 -4.861 -1.206 505 HD22 LEU 60 HD22 LEU 60 4.723 -4.927 -2.963 506 HD23 LEU 60 HD23 LEU 60 5.321 -3.520 -2.080 507 H SER 61 HN SER 61 4.185 -7.850 -2.260 508 HA SER 61 HA SER 61 1.944 -8.045 -0.409 509 HB2 SER 61 HB2 SER 61 1.944 -5.667 -1.354 510 HB3 SER 61 HB1 SER 61 1.781 -6.359 -2.967 511 HG SER 61 HG SER 61 -0.048 -6.426 -0.808 512 H LYS 62 HN LYS 62 -0.013 -8.893 -2.073 513 HA LYS 62 HA LYS 62 0.965 -11.428 -2.874 514 HB2 LYS 62 HB2 LYS 62 -1.362 -10.960 -2.056 515 HB3 LYS 62 HB1 LYS 62 -1.725 -10.182 -3.584 516 HG2 LYS 62 HG2 LYS 62 -0.782 -13.049 -3.553 517 HG3 LYS 62 HG1 LYS 62 -2.448 -12.687 -3.119 518 HD2 LYS 62 HD2 LYS 62 -1.107 -12.007 -5.769 519 HD3 LYS 62 HD1 LYS 62 -2.238 -13.336 -5.497 520 HE2 LYS 62 HE2 LYS 62 -4.001 -11.655 -4.896 521 HE3 LYS 62 HE1 LYS 62 -2.853 -10.364 -5.263 522 HZ1 LYS 62 HZ1 LYS 62 -4.365 -10.794 -7.097 523 HZ2 LYS 62 HZ2 LYS 62 -3.825 -12.391 -7.200 524 HZ3 LYS 62 HZ3 LYS 62 -2.766 -11.116 -7.544 525 H GLU 63 HN GLU 63 -0.796 -9.332 -5.037 526 HA GLU 63 HA GLU 63 0.014 -10.277 -7.490 527 HB2 GLU 63 HB2 GLU 63 -1.888 -8.666 -7.023 528 HB3 GLU 63 HB1 GLU 63 -0.716 -7.366 -6.994 529 HG2 GLU 63 HG2 GLU 63 -1.918 -7.502 -9.146 530 HG3 GLU 63 HG1 GLU 63 -0.177 -7.717 -9.336 531 H ALA 64 HN ALA 64 1.674 -7.678 -5.641 532 HA ALA 64 HA ALA 64 3.692 -6.989 -7.550 533 HB1 ALA 64 HB1 ALA 64 4.924 -6.049 -5.641 534 HB2 ALA 64 HB2 ALA 64 3.872 -6.907 -4.509 535 HB3 ALA 64 HB3 ALA 64 3.201 -5.637 -5.531 536 H GLN 65 HN GLN 65 3.842 -9.193 -4.721 537 HA GLN 65 HA GLN 65 6.451 -10.257 -5.291 538 HB2 GLN 65 HB2 GLN 65 5.178 -10.355 -3.049 539 HB3 GLN 65 HB1 GLN 65 4.327 -11.739 -3.702 540 HG2 GLN 65 HG2 GLN 65 7.344 -11.663 -3.517 541 HG3 GLN 65 HG1 GLN 65 6.348 -12.135 -2.155 542 HE21 GLN 65 HE21 GLN 65 8.329 -13.666 -3.522 543 HE22 GLN 65 HE22 GLN 65 7.546 -15.089 -4.109 544 H LYS 66 HN LYS 66 3.364 -10.900 -6.696 545 HA LYS 66 HA LYS 66 3.952 -13.452 -7.883 546 HB2 LYS 66 HB2 LYS 66 1.655 -13.062 -7.415 547 HB3 LYS 66 HB1 LYS 66 1.694 -11.456 -8.133 548 HG2 LYS 66 HG2 LYS 66 1.919 -12.466 -10.381 549 HG3 LYS 66 HG1 LYS 66 1.854 -14.077 -9.662 550 HD2 LYS 66 HD2 LYS 66 -0.421 -13.727 -8.913 551 HD3 LYS 66 HD1 LYS 66 -0.349 -12.009 -9.312 552 HE2 LYS 66 HE2 LYS 66 -0.038 -12.732 -11.749 553 HE3 LYS 66 HE1 LYS 66 -0.482 -14.358 -11.219 554 HZ1 LYS 66 HZ1 LYS 66 -2.367 -13.100 -12.062 555 HZ2 LYS 66 HZ2 LYS 66 -2.143 -11.926 -10.864 556 HZ3 LYS 66 HZ3 LYS 66 -2.573 -13.506 -10.438 557 H LEU 67 HN LEU 67 3.594 -10.163 -9.063 558 HA LEU 67 HA LEU 67 4.711 -10.252 -11.579 559 HB2 LEU 67 HB2 LEU 67 5.385 -8.087 -9.552 560 HB3 LEU 67 HB1 LEU 67 5.667 -7.963 -11.280 561 HG LEU 67 HG LEU 67 2.961 -8.072 -9.895 562 HD11 LEU 67 HD11 LEU 67 4.063 -5.908 -9.641 563 HD12 LEU 67 HD12 LEU 67 2.670 -5.775 -10.711 564 HD13 LEU 67 HD13 LEU 67 4.300 -5.801 -11.389 565 HD21 LEU 67 HD21 LEU 67 3.519 -7.881 -12.875 566 HD22 LEU 67 HD22 LEU 67 1.937 -7.732 -12.104 567 HD23 LEU 67 HD23 LEU 67 2.806 -9.260 -12.033 568 H MET 68 HN MET 68 6.381 -10.452 -8.531 569 HA MET 68 HA MET 68 9.075 -10.579 -9.561 570 HB2 MET 68 HB2 MET 68 8.029 -11.461 -6.837 571 HB3 MET 68 HB1 MET 68 9.730 -11.296 -7.264 572 HG2 MET 68 HG2 MET 68 9.403 -8.893 -7.631 573 HG3 MET 68 HG1 MET 68 7.701 -9.052 -7.206 574 HE1 MET 68 HE1 MET 68 9.290 -7.089 -4.176 575 HE2 MET 68 HE2 MET 68 8.032 -7.061 -5.409 576 HE3 MET 68 HE3 MET 68 9.729 -6.963 -5.880 577 H LYS 69 HN LYS 69 6.649 -13.027 -8.772 578 HA LYS 69 HA LYS 69 8.465 -15.196 -9.746 579 HB2 LYS 69 HB2 LYS 69 6.909 -16.836 -8.826 580 HB3 LYS 69 HB1 LYS 69 7.328 -15.659 -7.586 581 HG2 LYS 69 HG2 LYS 69 5.206 -14.635 -7.683 582 HG3 LYS 69 HG1 LYS 69 4.797 -15.393 -9.219 583 HD2 LYS 69 HD2 LYS 69 4.625 -17.586 -8.089 584 HD3 LYS 69 HD1 LYS 69 5.055 -16.829 -6.551 585 HE2 LYS 69 HE2 LYS 69 3.004 -15.456 -6.647 586 HE3 LYS 69 HE1 LYS 69 2.598 -16.158 -8.216 587 HZ1 LYS 69 HZ1 LYS 69 2.314 -18.283 -7.202 588 HZ2 LYS 69 HZ2 LYS 69 1.395 -17.153 -6.340 589 HZ3 LYS 69 HZ3 LYS 69 2.859 -17.711 -5.705 590 H MET 70 HN MET 70 6.755 -13.132 -11.406 591 HA MET 70 HA MET 70 4.784 -14.546 -12.847 592 HB2 MET 70 HB2 MET 70 6.220 -11.956 -13.247 593 HB3 MET 70 HB1 MET 70 5.599 -12.681 -14.723 594 HG2 MET 70 HG2 MET 70 3.922 -12.033 -12.294 595 HG3 MET 70 HG1 MET 70 4.057 -11.038 -13.741 596 HE1 MET 70 HE1 MET 70 1.592 -10.938 -14.513 597 HE2 MET 70 HE2 MET 70 1.175 -11.640 -12.947 598 HE3 MET 70 HE3 MET 70 0.484 -12.313 -14.426 599 HA PRO 71 HA PRO 71 7.292 -17.060 -15.547 600 HB2 PRO 71 HB2 PRO 71 5.499 -17.634 -17.533 601 HB3 PRO 71 HB1 PRO 71 5.426 -18.373 -15.927 602 HG2 PRO 71 HG2 PRO 71 3.846 -16.067 -17.030 603 HG3 PRO 71 HG1 PRO 71 3.290 -17.433 -16.039 604 HD2 PRO 71 HD2 PRO 71 3.810 -14.965 -14.992 605 HD3 PRO 71 HD1 PRO 71 4.022 -16.462 -14.062 606 H PHE 72 HN PHE 72 5.290 -14.861 -17.701 607 HA PHE 72 HA PHE 72 7.666 -14.745 -19.488 608 HB2 PHE 72 HB2 PHE 72 4.720 -14.316 -20.199 609 HB3 PHE 72 HB1 PHE 72 6.071 -14.312 -21.329 610 HD1 PHE 72 HD2 PHE 72 7.215 -16.443 -21.932 611 HD2 PHE 72 HD1 PHE 72 3.784 -16.402 -19.385 612 HE1 PHE 72 HE2 PHE 72 6.924 -18.866 -22.269 613 HE2 PHE 72 HE1 PHE 72 3.504 -18.825 -19.729 614 HZ PHE 72 HZ PHE 72 5.074 -20.056 -21.168 615 H GLN 73 HN GLN 73 8.638 -12.731 -19.323 616 HA GLN 73 HA GLN 73 7.078 -10.294 -18.983 617 HB2 GLN 73 HB2 GLN 73 7.952 -9.585 -16.858 618 HB3 GLN 73 HB1 GLN 73 7.287 -11.194 -16.630 619 HG2 GLN 73 HG2 GLN 73 10.242 -10.585 -16.963 620 HG3 GLN 73 HG1 GLN 73 9.431 -10.784 -15.415 621 HE21 GLN 73 HE21 GLN 73 8.754 -12.853 -14.792 622 HE22 GLN 73 HE22 GLN 73 9.350 -14.285 -15.544 623 H ARG 74 HN ARG 74 8.499 -8.323 -18.815 624 HA ARG 74 HA ARG 74 11.308 -8.354 -19.155 625 HB2 ARG 74 HB2 ARG 74 11.500 -7.475 -21.442 626 HB3 ARG 74 HB1 ARG 74 10.708 -9.047 -21.492 627 HG2 ARG 74 HG2 ARG 74 8.533 -7.995 -21.807 628 HG3 ARG 74 HG1 ARG 74 9.245 -6.388 -21.616 629 HD2 ARG 74 HD2 ARG 74 10.570 -6.740 -23.673 630 HD3 ARG 74 HD1 ARG 74 9.856 -8.348 -23.855 631 HE ARG 74 HE ARG 74 7.722 -6.634 -23.709 632 HH11 ARG 74 HH11 ARG 74 10.508 -6.838 -25.869 633 HH12 ARG 74 HH12 ARG 74 9.620 -6.225 -27.226 634 HH21 ARG 74 HH21 ARG 74 6.639 -5.802 -25.488 635 HH22 ARG 74 HH22 ARG 74 7.450 -5.630 -27.010 636 H ALA 75 HN ALA 75 11.945 -5.973 -19.927 637 HA ALA 75 HA ALA 75 10.140 -3.956 -18.711 638 HB1 ALA 75 HB1 ALA 75 12.983 -3.601 -19.728 639 HB2 ALA 75 HB2 ALA 75 12.523 -3.867 -18.046 640 HB3 ALA 75 HB3 ALA 75 12.020 -2.390 -18.870 641 H ILE 76 HN ILE 76 8.826 -2.542 -20.057 642 HA ILE 76 HA ILE 76 9.025 -2.978 -22.851 643 HB ILE 76 HB ILE 76 7.265 -0.964 -21.372 644 HG12 ILE 76 HG12 ILE 76 6.912 -3.194 -20.361 645 HG13 ILE 76 HG11 ILE 76 5.503 -2.739 -21.310 646 HG21 ILE 76 HG21 ILE 76 5.756 -1.201 -23.309 647 HG22 ILE 76 HG22 ILE 76 6.884 -2.328 -24.070 648 HG23 ILE 76 HG23 ILE 76 7.352 -0.644 -23.815 649 HD11 ILE 76 HD11 ILE 76 6.041 -5.094 -21.584 650 HD12 ILE 76 HD12 ILE 76 7.659 -4.690 -22.156 651 HD13 ILE 76 HD13 ILE 76 6.244 -4.239 -23.112 652 H THR 77 HN THR 77 10.227 -1.917 -24.249 653 HA THR 77 HA THR 77 11.662 0.522 -23.684 654 HB THR 77 HB THR 77 12.539 0.263 -26.003 655 HG1 THR 77 HG1 THR 77 11.765 -1.556 -27.241 656 HG21 THR 77 HG21 THR 77 12.453 -2.387 -24.505 657 HG22 THR 77 HG22 THR 77 13.611 -1.084 -24.228 658 HG23 THR 77 HG23 THR 77 13.614 -1.953 -25.763 659 H LYS 78 HN LYS 78 11.440 2.499 -24.947 660 HA LYS 78 HA LYS 78 8.915 3.593 -25.412 661 HB2 LYS 78 HB2 LYS 78 11.538 4.334 -26.773 662 HB3 LYS 78 HB1 LYS 78 10.101 5.356 -26.722 663 HG2 LYS 78 HG2 LYS 78 10.330 5.707 -24.357 664 HG3 LYS 78 HG1 LYS 78 11.559 4.448 -24.218 665 HD2 LYS 78 HD2 LYS 78 11.923 7.039 -25.780 666 HD3 LYS 78 HD1 LYS 78 12.491 6.778 -24.129 667 HE2 LYS 78 HE2 LYS 78 13.955 4.952 -24.904 668 HE3 LYS 78 HE1 LYS 78 13.368 5.163 -26.553 669 HZ1 LYS 78 HZ1 LYS 78 14.357 7.323 -26.632 670 HZ2 LYS 78 HZ2 LYS 78 15.526 6.208 -26.123 671 HZ3 LYS 78 HZ3 LYS 78 14.800 7.240 -25.004 672 H LYS 79 HN LYS 79 11.165 2.389 -27.770 673 HA LYS 79 HA LYS 79 9.838 2.149 -30.127 674 HB2 LYS 79 HB2 LYS 79 11.502 -0.063 -28.876 675 HB3 LYS 79 HB1 LYS 79 10.928 -0.112 -30.545 676 HG2 LYS 79 HG2 LYS 79 12.128 2.060 -30.950 677 HG3 LYS 79 HG1 LYS 79 12.817 1.922 -29.328 678 HD2 LYS 79 HD2 LYS 79 13.964 -0.121 -29.926 679 HD3 LYS 79 HD1 LYS 79 13.142 -0.181 -31.488 680 HE2 LYS 79 HE2 LYS 79 14.287 1.928 -32.145 681 HE3 LYS 79 HE1 LYS 79 15.146 1.929 -30.601 682 HZ1 LYS 79 HZ1 LYS 79 16.187 -0.155 -31.228 683 HZ2 LYS 79 HZ2 LYS 79 16.496 1.027 -32.391 684 HZ3 LYS 79 HZ3 LYS 79 15.345 -0.174 -32.693 685 H GLU 80 HN GLU 80 9.246 -0.091 -27.378 686 HA GLU 80 HA GLU 80 7.033 -1.383 -28.787 687 HB2 GLU 80 HB2 GLU 80 8.337 -1.887 -26.087 688 HB3 GLU 80 HB1 GLU 80 6.891 -2.745 -26.617 689 HG2 GLU 80 HG2 GLU 80 9.584 -2.781 -28.020 690 HG3 GLU 80 HG1 GLU 80 8.923 -4.069 -27.010 691 H GLN 81 HN GLN 81 7.458 1.264 -26.548 692 HA GLN 81 HA GLN 81 4.691 1.436 -25.870 693 HB2 GLN 81 HB2 GLN 81 7.065 3.294 -25.482 694 HB3 GLN 81 HB1 GLN 81 5.445 3.677 -24.906 695 HG2 GLN 81 HG2 GLN 81 5.474 1.745 -23.420 696 HG3 GLN 81 HG1 GLN 81 7.051 1.254 -24.039 697 HE21 GLN 81 HE21 GLN 81 8.882 2.241 -23.220 698 HE22 GLN 81 HE22 GLN 81 8.854 3.431 -21.973 699 H ALA 82 HN ALA 82 6.374 2.293 -28.773 700 HA ALA 82 HA ALA 82 4.836 4.692 -29.295 701 HB1 ALA 82 HB1 ALA 82 6.071 4.639 -31.462 702 HB2 ALA 82 HB2 ALA 82 6.798 3.091 -31.014 703 HB3 ALA 82 HB3 ALA 82 7.181 4.545 -30.094 704 H ASP 83 HN ASP 83 4.813 1.294 -29.671 705 HA ASP 83 HA ASP 83 2.268 1.322 -31.164 706 HB2 ASP 83 HB2 ASP 83 4.450 -0.810 -31.427 707 HB3 ASP 83 HB1 ASP 83 2.936 -0.739 -32.320 708 H MET 84 HN MET 84 2.022 1.618 -28.657 709 HA MET 84 HA MET 84 2.307 -0.590 -26.929 710 HB2 MET 84 HB2 MET 84 1.923 2.022 -26.471 711 HB3 MET 84 HB1 MET 84 0.224 1.563 -26.436 712 HG2 MET 84 HG2 MET 84 1.118 1.561 -24.195 713 HG3 MET 84 HG1 MET 84 0.775 -0.112 -24.672 714 HE1 MET 84 HE1 MET 84 3.973 -1.052 -22.841 715 HE2 MET 84 HE2 MET 84 2.320 -1.487 -23.270 716 HE3 MET 84 HE3 MET 84 2.628 -0.062 -22.277 717 H GLY 85 HN GLY 85 -0.236 0.529 -29.022 718 HA2 GLY 85 HA2 GLY 85 -2.332 -1.199 -28.342 719 HA3 GLY 85 HA1 GLY 85 -2.076 -0.511 -29.941 720 H LYS 86 HN LYS 86 0.073 -1.553 -30.923 721 HA LYS 86 HA LYS 86 -0.398 -4.104 -31.878 722 HB2 LYS 86 HB2 LYS 86 1.230 -2.603 -32.929 723 HB3 LYS 86 HB1 LYS 86 2.227 -2.601 -31.483 724 HG2 LYS 86 HG2 LYS 86 2.395 -5.222 -31.993 725 HG3 LYS 86 HG1 LYS 86 1.966 -4.707 -33.622 726 HD2 LYS 86 HD2 LYS 86 4.392 -4.840 -33.444 727 HD3 LYS 86 HD1 LYS 86 3.923 -3.148 -33.613 728 HE2 LYS 86 HE2 LYS 86 4.192 -2.840 -31.158 729 HE3 LYS 86 HE1 LYS 86 4.677 -4.530 -31.005 730 HZ1 LYS 86 HZ1 LYS 86 6.582 -3.070 -31.052 731 HZ2 LYS 86 HZ2 LYS 86 6.112 -2.438 -32.550 732 HZ3 LYS 86 HZ3 LYS 86 6.578 -4.058 -32.422 733 H LEU 87 HN LEU 87 2.014 -3.198 -29.468 734 HA LEU 87 HA LEU 87 2.867 -5.614 -28.533 735 HB2 LEU 87 HB2 LEU 87 3.971 -3.612 -27.850 736 HB3 LEU 87 HB1 LEU 87 2.521 -2.976 -27.096 737 HG LEU 87 HG LEU 87 2.680 -4.656 -25.295 738 HD11 LEU 87 HD11 LEU 87 4.649 -6.104 -25.046 739 HD12 LEU 87 HD12 LEU 87 5.222 -5.609 -26.641 740 HD13 LEU 87 HD13 LEU 87 3.712 -6.522 -26.485 741 HD21 LEU 87 HD21 LEU 87 4.630 -3.760 -24.151 742 HD22 LEU 87 HD22 LEU 87 3.789 -2.480 -25.020 743 HD23 LEU 87 HD23 LEU 87 5.284 -3.154 -25.675 744 H LYS 88 HN LYS 88 0.249 -3.750 -26.866 745 HA LYS 88 HA LYS 88 -0.251 -5.775 -24.969 746 HB2 LYS 88 HB2 LYS 88 -1.831 -3.305 -25.744 747 HB3 LYS 88 HB1 LYS 88 -2.367 -4.392 -24.462 748 HG2 LYS 88 HG2 LYS 88 -0.136 -3.998 -23.331 749 HG3 LYS 88 HG1 LYS 88 0.167 -2.725 -24.520 750 HD2 LYS 88 HD2 LYS 88 -1.779 -1.482 -23.748 751 HD3 LYS 88 HD1 LYS 88 -2.249 -2.800 -22.670 752 HE2 LYS 88 HE2 LYS 88 -0.091 -2.454 -21.424 753 HE3 LYS 88 HE1 LYS 88 0.200 -1.029 -22.429 754 HZ1 LYS 88 HZ1 LYS 88 -2.136 -1.436 -20.642 755 HZ2 LYS 88 HZ2 LYS 88 -1.837 -0.060 -21.575 756 HZ3 LYS 88 HZ3 LYS 88 -0.800 -0.457 -20.298 757 H LYS 89 HN LYS 89 -1.558 -5.412 -28.170 758 HA LYS 89 HA LYS 89 -4.222 -6.304 -27.666 759 HB2 LYS 89 HB2 LYS 89 -4.574 -6.338 -30.036 760 HB3 LYS 89 HB1 LYS 89 -3.441 -5.027 -29.747 761 HG2 LYS 89 HG2 LYS 89 -1.600 -6.736 -30.358 762 HG3 LYS 89 HG1 LYS 89 -2.910 -7.738 -30.974 763 HD2 LYS 89 HD2 LYS 89 -3.543 -5.860 -32.520 764 HD3 LYS 89 HD1 LYS 89 -2.130 -4.961 -31.945 765 HE2 LYS 89 HE2 LYS 89 -2.186 -7.562 -33.494 766 HE3 LYS 89 HE1 LYS 89 -1.471 -6.026 -33.980 767 HZ1 LYS 89 HZ1 LYS 89 0.256 -7.519 -33.337 768 HZ2 LYS 89 HZ2 LYS 89 -0.484 -7.865 -31.857 769 HZ3 LYS 89 HZ3 LYS 89 0.152 -6.327 -32.145 770 H SER 90 HN SER 90 -1.361 -7.970 -28.888 771 HA SER 90 HA SER 90 -2.358 -10.571 -29.211 772 HB2 SER 90 HB2 SER 90 0.499 -9.643 -28.647 773 HB3 SER 90 HB1 SER 90 0.034 -11.153 -29.426 774 HG SER 90 HG SER 90 0.409 -9.886 -31.115 775 H VAL 91 HN VAL 91 -0.558 -9.020 -26.540 776 HA VAL 91 HA VAL 91 0.025 -11.404 -25.137 777 HB VAL 91 HB VAL 91 -0.104 -8.674 -23.809 778 HG11 VAL 91 HG11 VAL 91 1.779 -9.542 -22.439 779 HG12 VAL 91 HG12 VAL 91 1.706 -11.077 -23.313 780 HG13 VAL 91 HG13 VAL 91 0.350 -10.571 -22.304 781 HG21 VAL 91 HG21 VAL 91 2.149 -9.720 -25.550 782 HG22 VAL 91 HG22 VAL 91 2.207 -8.249 -24.573 783 HG23 VAL 91 HG23 VAL 91 1.082 -8.371 -25.927 784 H ARG 92 HN ARG 92 -2.647 -9.099 -24.816 785 HA ARG 92 HA ARG 92 -4.743 -9.286 -23.989 786 HB2 ARG 92 HB2 ARG 92 -4.890 -11.591 -24.735 787 HB3 ARG 92 HB1 ARG 92 -3.947 -12.151 -23.365 788 HG2 ARG 92 HG2 ARG 92 -5.832 -11.482 -21.841 789 HG3 ARG 92 HG1 ARG 92 -6.780 -11.047 -23.265 790 HD2 ARG 92 HD2 ARG 92 -6.743 -13.356 -24.046 791 HD3 ARG 92 HD1 ARG 92 -5.647 -13.816 -22.736 792 HE ARG 92 HE ARG 92 -8.221 -12.692 -21.941 793 HH11 ARG 92 HH11 ARG 92 -6.354 -15.636 -22.447 794 HH12 ARG 92 HH12 ARG 92 -7.433 -16.608 -21.502 795 HH21 ARG 92 HH21 ARG 92 -9.619 -14.014 -20.718 796 HH22 ARG 92 HH22 ARG 92 -9.263 -15.703 -20.538 797 H GLY 93 HN GLY 93 -2.772 -11.175 -21.608 798 HA2 GLY 93 HA2 GLY 93 -3.928 -9.603 -19.397 799 HA3 GLY 93 HA1 GLY 93 -3.038 -11.110 -19.260 800 H LEU 94 HN LEU 94 -1.840 -8.504 -21.178 801 HA LEU 94 HA LEU 94 0.640 -8.348 -19.784 802 HB2 LEU 94 HB2 LEU 94 0.483 -7.801 -22.158 803 HB3 LEU 94 HB1 LEU 94 -0.479 -6.380 -21.808 804 HG LEU 94 HG LEU 94 1.416 -5.274 -20.763 805 HD11 LEU 94 HD11 LEU 94 2.473 -7.171 -19.639 806 HD12 LEU 94 HD12 LEU 94 3.652 -6.290 -20.604 807 HD13 LEU 94 HD13 LEU 94 3.006 -7.824 -21.193 808 HD21 LEU 94 HD21 LEU 94 2.944 -5.043 -22.666 809 HD22 LEU 94 HD22 LEU 94 1.276 -5.117 -23.225 810 HD23 LEU 94 HD23 LEU 94 2.318 -6.533 -23.378 811 H VAL 95 HN VAL 95 1.249 -7.230 -18.218 812 HA VAL 95 HA VAL 95 -0.435 -5.222 -16.786 813 HB VAL 95 HB VAL 95 1.539 -7.221 -15.548 814 HG11 VAL 95 HG11 VAL 95 -0.265 -5.199 -14.152 815 HG12 VAL 95 HG12 VAL 95 1.494 -5.115 -14.272 816 HG13 VAL 95 HG13 VAL 95 0.736 -6.411 -13.346 817 HG21 VAL 95 HG21 VAL 95 -0.436 -8.320 -14.544 818 HG22 VAL 95 HG22 VAL 95 -0.512 -8.355 -16.306 819 HG23 VAL 95 HG23 VAL 95 -1.503 -7.206 -15.403 820 H VAL 96 HN VAL 96 0.636 -3.187 -16.610 821 HA VAL 96 HA VAL 96 3.477 -3.085 -17.404 822 HB VAL 96 HB VAL 96 1.215 -1.466 -18.679 823 HG11 VAL 96 HG11 VAL 96 2.940 -0.308 -20.008 824 HG12 VAL 96 HG12 VAL 96 4.206 -1.133 -19.093 825 HG13 VAL 96 HG13 VAL 96 3.132 0.008 -18.283 826 HG21 VAL 96 HG21 VAL 96 1.988 -2.461 -20.811 827 HG22 VAL 96 HG22 VAL 96 1.486 -3.707 -19.668 828 HG23 VAL 96 HG23 VAL 96 3.203 -3.401 -19.935 829 H VAL 97 HN VAL 97 4.482 -2.062 -15.842 830 HA VAL 97 HA VAL 97 3.034 -0.271 -13.964 831 HB VAL 97 HB VAL 97 5.703 -1.707 -13.550 832 HG11 VAL 97 HG11 VAL 97 5.371 -1.229 -11.151 833 HG12 VAL 97 HG12 VAL 97 3.875 -0.366 -11.520 834 HG13 VAL 97 HG13 VAL 97 5.422 0.259 -12.099 835 HG21 VAL 97 HG21 VAL 97 4.486 -3.375 -12.168 836 HG22 VAL 97 HG22 VAL 97 3.930 -3.396 -13.841 837 HG23 VAL 97 HG23 VAL 97 2.949 -2.616 -12.599 838 H HIS 98 HN HIS 98 3.497 1.943 -14.197 839 HA HIS 98 HA HIS 98 5.710 2.794 -15.916 840 HB2 HIS 98 HB2 HIS 98 3.378 3.647 -16.309 841 HB3 HIS 98 HB1 HIS 98 3.353 4.309 -14.688 842 HD2 HIS 98 HD2 HIS 98 4.405 5.290 -18.229 843 HE1 HIS 98 HE1 HIS 98 5.929 8.240 -15.631 844 HE2 HIS 98 HE2 HIS 98 5.361 7.683 -18.029 845 HA PRO 99 HA PRO 99 8.253 3.616 -12.351 846 HB2 PRO 99 HB2 PRO 99 9.788 5.778 -13.203 847 HB3 PRO 99 HB1 PRO 99 10.046 4.108 -13.721 848 HG2 PRO 99 HG2 PRO 99 8.523 6.304 -15.122 849 HG3 PRO 99 HG1 PRO 99 9.716 5.168 -15.791 850 HD2 PRO 99 HD2 PRO 99 7.092 4.750 -16.126 851 HD3 PRO 99 HD1 PRO 99 8.187 3.386 -15.812 852 H MET 100 HN MET 100 6.233 6.268 -13.499 853 HA MET 100 HA MET 100 6.732 7.830 -11.043 854 HB2 MET 100 HB2 MET 100 5.163 8.633 -13.515 855 HB3 MET 100 HB1 MET 100 5.475 9.664 -12.123 856 HG2 MET 100 HG2 MET 100 7.949 9.323 -12.618 857 HG3 MET 100 HG1 MET 100 7.447 8.650 -14.167 858 HE1 MET 100 HE1 MET 100 5.703 10.097 -15.800 859 HE2 MET 100 HE2 MET 100 5.337 11.800 -15.509 860 HE3 MET 100 HE3 MET 100 4.721 10.566 -14.410 861 H THR 101 HN THR 101 4.640 5.433 -11.931 862 HA THR 101 HA THR 101 2.272 6.334 -10.543 863 HB THR 101 HB THR 101 1.545 3.944 -10.526 864 HG1 THR 101 HG1 THR 101 4.204 3.528 -11.148 865 HG21 THR 101 HG21 THR 101 1.444 3.591 -12.989 866 HG22 THR 101 HG22 THR 101 2.609 4.897 -13.201 867 HG23 THR 101 HG23 THR 101 1.018 5.241 -12.524 868 H ALA 102 HN ALA 102 1.474 4.891 -8.658 869 HA ALA 102 HA ALA 102 2.915 5.436 -6.362 870 HB1 ALA 102 HB1 ALA 102 0.491 5.003 -6.392 871 HB2 ALA 102 HB2 ALA 102 1.293 3.955 -5.224 872 HB3 ALA 102 HB3 ALA 102 0.784 3.304 -6.783 873 H LEU 103 HN LEU 103 2.393 2.112 -7.732 874 HA LEU 103 HA LEU 103 4.257 0.813 -6.047 875 HB2 LEU 103 HB2 LEU 103 2.147 -0.084 -7.292 876 HB3 LEU 103 HB1 LEU 103 3.138 -0.110 -8.729 877 HG LEU 103 HG LEU 103 4.677 -1.751 -7.645 878 HD11 LEU 103 HD11 LEU 103 4.351 -1.167 -5.293 879 HD12 LEU 103 HD12 LEU 103 4.033 -2.879 -5.552 880 HD13 LEU 103 HD13 LEU 103 2.686 -1.756 -5.351 881 HD21 LEU 103 HD21 LEU 103 1.766 -2.646 -7.712 882 HD22 LEU 103 HD22 LEU 103 3.173 -3.708 -7.793 883 HD23 LEU 103 HD23 LEU 103 2.861 -2.563 -9.097 884 H GLY 104 HN GLY 104 4.275 1.736 -9.513 885 HA2 GLY 104 HA2 GLY 104 6.695 1.343 -10.406 886 HA3 GLY 104 HA1 GLY 104 5.885 2.868 -10.715 887 H ARG 105 HN ARG 105 6.120 4.033 -7.989 888 HA ARG 105 HA ARG 105 8.945 4.685 -8.093 889 HB2 ARG 105 HB2 ARG 105 6.706 5.833 -6.356 890 HB3 ARG 105 HB1 ARG 105 8.377 6.400 -6.378 891 HG2 ARG 105 HG2 ARG 105 8.030 6.939 -8.837 892 HG3 ARG 105 HG1 ARG 105 6.320 6.613 -8.587 893 HD2 ARG 105 HD2 ARG 105 7.953 8.744 -7.179 894 HD3 ARG 105 HD1 ARG 105 6.779 9.020 -8.464 895 HE ARG 105 HE ARG 105 5.323 7.762 -6.536 896 HH11 ARG 105 HH11 ARG 105 7.372 10.616 -6.493 897 HH12 ARG 105 HH12 ARG 105 6.451 11.403 -5.255 898 HH21 ARG 105 HH21 ARG 105 4.132 8.825 -4.904 899 HH22 ARG 105 HH22 ARG 105 4.630 10.394 -4.357 900 H GLU 106 HN GLU 106 6.661 2.738 -6.185 901 HA GLU 106 HA GLU 106 8.032 2.845 -3.706 902 HB2 GLU 106 HB2 GLU 106 5.647 2.329 -3.795 903 HB3 GLU 106 HB1 GLU 106 5.943 0.941 -4.833 904 HG2 GLU 106 HG2 GLU 106 5.442 0.250 -2.535 905 HG3 GLU 106 HG1 GLU 106 7.066 -0.239 -3.014 906 H MET 107 HN MET 107 7.714 0.105 -6.170 907 HA MET 107 HA MET 107 9.665 -1.530 -4.960 908 HB2 MET 107 HB2 MET 107 8.434 -1.502 -7.758 909 HB3 MET 107 HB1 MET 107 9.480 -2.781 -7.169 910 HG2 MET 107 HG2 MET 107 7.843 -3.602 -5.685 911 HG3 MET 107 HG1 MET 107 6.939 -2.095 -5.690 912 HE1 MET 107 HE1 MET 107 6.813 -5.107 -9.212 913 HE2 MET 107 HE2 MET 107 7.943 -5.229 -7.859 914 HE3 MET 107 HE3 MET 107 8.156 -3.965 -9.079 915 H GLY 108 HN GLY 108 9.955 1.327 -6.798 916 HA2 GLY 108 HA2 GLY 108 11.888 2.583 -6.965 917 HA3 GLY 108 HA1 GLY 108 12.853 1.159 -6.614 918 H LEU 109 HN LEU 109 10.394 1.422 -9.142 919 HA LEU 109 HA LEU 109 12.328 0.695 -11.198 920 HB2 LEU 109 HB2 LEU 109 9.363 1.336 -11.533 921 HB3 LEU 109 HB1 LEU 109 10.405 0.496 -12.677 922 HG LEU 109 HG LEU 109 9.447 -0.565 -9.984 923 HD11 LEU 109 HD11 LEU 109 7.699 -0.598 -11.694 924 HD12 LEU 109 HD12 LEU 109 8.218 -2.232 -11.297 925 HD13 LEU 109 HD13 LEU 109 8.761 -1.479 -12.800 926 HD21 LEU 109 HD21 LEU 109 10.581 -2.682 -10.550 927 HD22 LEU 109 HD22 LEU 109 11.734 -1.360 -10.401 928 HD23 LEU 109 HD23 LEU 109 11.263 -1.940 -12.002 929 H GLU 110 HN GLU 110 13.342 2.178 -12.440 930 HA GLU 110 HA GLU 110 12.346 4.974 -12.604 931 HB2 GLU 110 HB2 GLU 110 14.645 5.573 -13.257 932 HB3 GLU 110 HB1 GLU 110 14.648 4.689 -11.729 933 HG2 GLU 110 HG2 GLU 110 15.214 2.605 -13.066 934 HG3 GLU 110 HG1 GLU 110 15.429 3.651 -14.471 935 H GLU 111 HN GLU 111 11.718 2.338 -14.144 936 HA GLU 111 HA GLU 111 11.391 3.574 -16.779 937 HB2 GLU 111 HB2 GLU 111 12.476 1.712 -17.977 938 HB3 GLU 111 HB1 GLU 111 13.620 2.520 -16.911 939 HG2 GLU 111 HG2 GLU 111 13.144 0.670 -15.217 940 HG3 GLU 111 HG1 GLU 111 12.287 -0.172 -16.505 941 H MET 112 HN MET 112 9.827 2.478 -18.121 942 HA MET 112 HA MET 112 7.640 1.315 -16.679 943 HB2 MET 112 HB2 MET 112 7.093 2.765 -18.542 944 HB3 MET 112 HB1 MET 112 8.123 1.851 -19.638 945 HG2 MET 112 HG2 MET 112 6.622 0.002 -19.663 946 HG3 MET 112 HG1 MET 112 5.692 0.643 -18.316 947 HE1 MET 112 HE1 MET 112 3.806 2.349 -18.497 948 HE2 MET 112 HE2 MET 112 3.571 3.429 -19.874 949 HE3 MET 112 HE3 MET 112 5.028 3.559 -18.890 950 H THR 113 HN THR 113 7.387 -0.819 -16.254 951 HA THR 113 HA THR 113 9.059 -2.785 -17.676 952 HB THR 113 HB THR 113 7.839 -3.071 -14.879 953 HG1 THR 113 HG1 THR 113 9.460 -1.237 -15.248 954 HG21 THR 113 HG21 THR 113 10.218 -4.453 -16.182 955 HG22 THR 113 HG22 THR 113 8.620 -5.167 -15.945 956 HG23 THR 113 HG23 THR 113 9.613 -4.748 -14.548 957 H GLY 114 HN GLY 114 7.747 -4.915 -18.114 958 HA2 GLY 114 HA2 GLY 114 4.938 -4.856 -17.284 959 HA3 GLY 114 HA1 GLY 114 5.333 -5.003 -18.992 960 H PHE 115 HN PHE 115 4.146 -6.781 -16.775 961 HA PHE 115 HA PHE 115 5.731 -9.240 -17.226 962 HB2 PHE 115 HB2 PHE 115 3.904 -8.677 -14.843 963 HB3 PHE 115 HB1 PHE 115 5.040 -10.006 -15.024 964 HD1 PHE 115 HD2 PHE 115 4.718 -6.367 -14.354 965 HD2 PHE 115 HD1 PHE 115 7.379 -9.715 -14.400 966 HE1 PHE 115 HE2 PHE 115 6.387 -5.063 -13.101 967 HE2 PHE 115 HE1 PHE 115 9.042 -8.399 -13.160 968 HZ PHE 115 HZ PHE 115 8.551 -6.075 -12.509 969 H SER 116 HN SER 116 4.362 -11.169 -17.841 970 HA SER 116 HA SER 116 1.549 -11.033 -17.096 971 HB2 SER 116 HB2 SER 116 1.852 -10.123 -19.457 972 HB3 SER 116 HB1 SER 116 2.526 -11.674 -19.930 973 HG SER 116 HG SER 116 0.312 -11.590 -20.426 974 H LYS 117 HN LYS 117 0.459 -13.082 -17.664 975 HA LYS 117 HA LYS 117 1.944 -15.528 -17.136 976 HB2 LYS 117 HB2 LYS 117 -1.012 -14.920 -17.553 977 HB3 LYS 117 HB1 LYS 117 -0.395 -16.544 -17.268 978 HG2 LYS 117 HG2 LYS 117 -0.064 -14.224 -15.332 979 HG3 LYS 117 HG1 LYS 117 -1.362 -15.418 -15.233 980 HD2 LYS 117 HD2 LYS 117 1.626 -15.966 -14.988 981 HD3 LYS 117 HD1 LYS 117 0.455 -15.985 -13.672 982 HE2 LYS 117 HE2 LYS 117 -0.676 -17.927 -14.711 983 HE3 LYS 117 HE1 LYS 117 0.474 -17.893 -16.048 984 HZ1 LYS 117 HZ1 LYS 117 1.166 -18.373 -13.202 985 HZ2 LYS 117 HZ2 LYS 117 2.248 -18.386 -14.503 986 HZ3 LYS 117 HZ3 LYS 117 1.039 -19.564 -14.397 987 H THR 118 HN THR 118 1.272 -13.659 -19.795 988 HA THR 118 HA THR 118 1.047 -15.902 -21.700 989 HB THR 118 HB THR 118 0.367 -13.256 -22.830 990 HG1 THR 118 HG1 THR 118 -0.965 -14.059 -20.477 991 HG21 THR 118 HG21 THR 118 -1.291 -15.782 -22.532 992 HG22 THR 118 HG22 THR 118 -0.236 -15.409 -23.899 993 HG23 THR 118 HG23 THR 118 -1.658 -14.411 -23.583 994 H THR 119 HN THR 119 2.444 -15.892 -23.445 995 HA THR 119 HA THR 119 5.007 -14.766 -23.110 996 HB THR 119 HB THR 119 4.761 -16.900 -24.252 997 HG1 THR 119 HG1 THR 119 5.643 -15.122 -26.278 998 HG21 THR 119 HG21 THR 119 3.300 -15.429 -26.481 999 HG22 THR 119 HG22 THR 119 2.579 -16.591 -25.363 1000 HG23 THR 119 HG23 THR 119 3.802 -17.120 -26.519 1001 H PHE 120 HN PHE 120 5.925 -12.945 -23.877 1002 HA PHE 120 HA PHE 120 5.092 -11.772 -26.389 1003 HB2 PHE 120 HB2 PHE 120 4.962 -9.440 -25.521 1004 HB3 PHE 120 HB1 PHE 120 3.678 -10.457 -24.909 1005 HD1 PHE 120 HD2 PHE 120 4.255 -11.570 -22.492 1006 HD2 PHE 120 HD1 PHE 120 5.929 -7.937 -24.012 1007 HE1 PHE 120 HE2 PHE 120 4.767 -10.837 -20.207 1008 HE2 PHE 120 HE1 PHE 120 6.435 -7.223 -21.717 1009 HZ PHE 120 HZ PHE 120 5.855 -8.670 -19.819 Start of MODEL 13 1 H MET 1 HT1 MET 1 -18.415 -2.690 -3.037 2 HA MET 1 HA MET 1 -16.152 -3.388 -3.145 3 HB2 MET 1 HB2 MET 1 -15.810 -2.576 -5.511 4 HB3 MET 1 HB1 MET 1 -15.718 -0.929 -4.906 5 HG2 MET 1 HG2 MET 1 -13.687 -1.475 -3.668 6 HG3 MET 1 HG1 MET 1 -13.802 -3.162 -4.194 7 HE1 MET 1 HE1 MET 1 -11.118 -1.609 -4.664 8 HE2 MET 1 HE2 MET 1 -10.780 -2.029 -6.341 9 HE3 MET 1 HE3 MET 1 -11.429 -3.248 -5.248 10 H LYS 2 HN LYS 2 -14.903 -2.700 -1.382 11 HA LYS 2 HA LYS 2 -16.213 -0.661 0.234 12 HB2 LYS 2 HB2 LYS 2 -14.069 -2.698 0.943 13 HB3 LYS 2 HB1 LYS 2 -14.819 -1.593 2.095 14 HG2 LYS 2 HG2 LYS 2 -17.022 -2.624 1.663 15 HG3 LYS 2 HG1 LYS 2 -16.280 -3.726 0.499 16 HD2 LYS 2 HD2 LYS 2 -14.936 -4.753 2.272 17 HD3 LYS 2 HD1 LYS 2 -15.562 -3.597 3.454 18 HE2 LYS 2 HE2 LYS 2 -17.246 -5.622 1.946 19 HE3 LYS 2 HE1 LYS 2 -16.659 -5.831 3.594 20 HZ1 LYS 2 HZ1 LYS 2 -17.919 -3.844 4.223 21 HZ2 LYS 2 HZ2 LYS 2 -18.915 -5.062 3.607 22 HZ3 LYS 2 HZ3 LYS 2 -18.526 -3.726 2.650 23 H GLU 3 HN GLU 3 -12.737 -1.452 0.022 24 HA GLU 3 HA GLU 3 -10.866 -0.253 0.185 25 HB2 GLU 3 HB2 GLU 3 -12.397 1.766 -1.491 26 HB3 GLU 3 HB1 GLU 3 -10.658 1.820 -1.202 27 HG2 GLU 3 HG2 GLU 3 -10.400 -0.365 -2.325 28 HG3 GLU 3 HG1 GLU 3 -12.138 -0.426 -2.614 29 H VAL 4 HN VAL 4 -11.475 -0.188 2.480 30 HA VAL 4 HA VAL 4 -11.746 2.563 3.563 31 HB VAL 4 HB VAL 4 -11.989 1.498 5.782 32 HG11 VAL 4 HG11 VAL 4 -14.172 0.380 5.456 33 HG12 VAL 4 HG12 VAL 4 -13.853 0.248 3.724 34 HG13 VAL 4 HG13 VAL 4 -14.032 1.838 4.472 35 HG21 VAL 4 HG21 VAL 4 -10.539 -0.474 5.484 36 HG22 VAL 4 HG22 VAL 4 -11.689 -1.183 4.349 37 HG23 VAL 4 HG23 VAL 4 -12.136 -0.971 6.045 38 H GLU 5 HN GLU 5 -9.512 0.360 2.629 39 HA GLU 5 HA GLU 5 -7.494 0.075 4.441 40 HB2 GLU 5 HB2 GLU 5 -7.117 0.373 1.436 41 HB3 GLU 5 HB1 GLU 5 -5.896 -0.252 2.532 42 HG2 GLU 5 HG2 GLU 5 -6.830 -2.156 1.526 43 HG3 GLU 5 HG1 GLU 5 -7.550 -2.101 3.131 44 H LYS 6 HN LYS 6 -7.524 2.634 1.940 45 HA LYS 6 HA LYS 6 -5.169 3.972 2.712 46 HB2 LYS 6 HB2 LYS 6 -7.635 5.250 1.449 47 HB3 LYS 6 HB1 LYS 6 -6.055 6.006 1.569 48 HG2 LYS 6 HG2 LYS 6 -6.127 5.277 -0.641 49 HG3 LYS 6 HG1 LYS 6 -5.187 4.015 0.155 50 HD2 LYS 6 HD2 LYS 6 -7.129 2.526 0.175 51 HD3 LYS 6 HD1 LYS 6 -8.166 3.818 -0.435 52 HE2 LYS 6 HE2 LYS 6 -6.805 3.857 -2.535 53 HE3 LYS 6 HE1 LYS 6 -5.891 2.471 -1.931 54 HZ1 LYS 6 HZ1 LYS 6 -8.825 2.514 -2.409 55 HZ2 LYS 6 HZ2 LYS 6 -7.919 1.188 -1.889 56 HZ3 LYS 6 HZ3 LYS 6 -7.677 1.819 -3.436 57 H ASN 7 HN ASN 7 -8.473 4.278 3.925 58 HA ASN 7 HA ASN 7 -8.047 6.585 5.586 59 HB2 ASN 7 HB2 ASN 7 -10.171 4.411 5.867 60 HB3 ASN 7 HB1 ASN 7 -10.223 6.016 6.589 61 HD21 ASN 7 HD21 ASN 7 -12.121 4.710 4.781 62 HD22 ASN 7 HD22 ASN 7 -12.277 5.750 3.411 63 H GLU 8 HN GLU 8 -7.887 3.060 6.094 64 HA GLU 8 HA GLU 8 -7.422 3.139 8.882 65 HB2 GLU 8 HB2 GLU 8 -6.523 0.927 7.000 66 HB3 GLU 8 HB1 GLU 8 -6.790 0.796 8.733 67 HG2 GLU 8 HG2 GLU 8 -8.832 1.049 6.527 68 HG3 GLU 8 HG1 GLU 8 -8.652 -0.239 7.711 69 H ILE 9 HN ILE 9 -5.087 3.008 6.120 70 HA ILE 9 HA ILE 9 -2.750 2.995 7.645 71 HB ILE 9 HB ILE 9 -3.202 4.182 4.867 72 HG12 ILE 9 HG12 ILE 9 -3.846 1.799 4.938 73 HG13 ILE 9 HG11 ILE 9 -2.380 2.004 3.995 74 HG21 ILE 9 HG21 ILE 9 -0.766 3.868 4.506 75 HG22 ILE 9 HG22 ILE 9 -0.580 3.362 6.186 76 HG23 ILE 9 HG23 ILE 9 -1.091 5.008 5.813 77 HD11 ILE 9 HD11 ILE 9 -2.278 -0.001 5.375 78 HD12 ILE 9 HD12 ILE 9 -2.529 0.959 6.831 79 HD13 ILE 9 HD13 ILE 9 -1.048 1.159 5.889 80 H LYS 10 HN LYS 10 -4.784 5.669 6.477 81 HA LYS 10 HA LYS 10 -3.245 7.873 7.358 82 HB2 LYS 10 HB2 LYS 10 -5.168 8.121 5.844 83 HB3 LYS 10 HB1 LYS 10 -6.264 7.542 7.093 84 HG2 LYS 10 HG2 LYS 10 -5.561 9.597 8.468 85 HG3 LYS 10 HG1 LYS 10 -4.773 10.185 7.003 86 HD2 LYS 10 HD2 LYS 10 -7.009 11.188 7.253 87 HD3 LYS 10 HD1 LYS 10 -6.947 10.164 5.815 88 HE2 LYS 10 HE2 LYS 10 -8.146 8.382 6.975 89 HE3 LYS 10 HE1 LYS 10 -8.079 9.274 8.495 90 HZ1 LYS 10 HZ1 LYS 10 -9.532 10.123 6.058 91 HZ2 LYS 10 HZ2 LYS 10 -9.482 10.968 7.517 92 HZ3 LYS 10 HZ3 LYS 10 -10.230 9.457 7.442 93 H ARG 11 HN ARG 11 -5.814 6.086 8.926 94 HA ARG 11 HA ARG 11 -6.007 7.188 11.432 95 HB2 ARG 11 HB2 ARG 11 -7.437 5.378 10.557 96 HB3 ARG 11 HB1 ARG 11 -6.123 4.227 10.753 97 HG2 ARG 11 HG2 ARG 11 -6.194 4.607 13.215 98 HG3 ARG 11 HG1 ARG 11 -7.567 5.692 12.980 99 HD2 ARG 11 HD2 ARG 11 -7.430 2.700 12.562 100 HD3 ARG 11 HD1 ARG 11 -8.534 3.606 13.599 101 HE ARG 11 HE ARG 11 -8.657 3.425 10.642 102 HH11 ARG 11 HH11 ARG 11 -10.326 4.145 13.663 103 HH12 ARG 11 HH12 ARG 11 -11.882 4.228 12.899 104 HH21 ARG 11 HH21 ARG 11 -10.686 3.527 9.683 105 HH22 ARG 11 HH22 ARG 11 -12.083 3.896 10.647 106 H LEU 12 HN LEU 12 -3.907 4.320 10.773 107 HA LEU 12 HA LEU 12 -2.648 4.406 13.310 108 HB2 LEU 12 HB2 LEU 12 -1.058 2.719 12.368 109 HB3 LEU 12 HB1 LEU 12 -2.750 2.320 12.180 110 HG LEU 12 HG LEU 12 -2.323 3.451 9.743 111 HD11 LEU 12 HD11 LEU 12 -0.165 2.769 8.808 112 HD12 LEU 12 HD12 LEU 12 0.378 2.257 10.408 113 HD13 LEU 12 HD13 LEU 12 0.034 3.960 10.094 114 HD21 LEU 12 HD21 LEU 12 -1.696 0.560 10.406 115 HD22 LEU 12 HD22 LEU 12 -2.080 1.202 8.804 116 HD23 LEU 12 HD23 LEU 12 -3.294 1.244 10.079 117 H SER 13 HN SER 13 -1.531 5.627 10.154 118 HA SER 13 HA SER 13 0.770 6.937 10.773 119 HB2 SER 13 HB2 SER 13 -0.182 7.030 8.530 120 HB3 SER 13 HB1 SER 13 -1.532 8.008 9.103 121 HG SER 13 HG SER 13 -0.321 9.723 9.050 122 H ASP 14 HN ASP 14 -2.493 8.421 11.205 123 HA ASP 14 HA ASP 14 -1.786 10.731 12.559 124 HB2 ASP 14 HB2 ASP 14 -4.032 10.268 11.602 125 HB3 ASP 14 HB1 ASP 14 -4.325 9.067 12.847 126 H ARG 15 HN ARG 15 -2.100 7.492 13.720 127 HA ARG 15 HA ARG 15 -2.236 8.044 16.541 128 HB2 ARG 15 HB2 ARG 15 -2.868 5.811 15.539 129 HB3 ARG 15 HB1 ARG 15 -1.155 5.480 15.288 130 HG2 ARG 15 HG2 ARG 15 -1.948 4.367 17.324 131 HG3 ARG 15 HG1 ARG 15 -0.750 5.603 17.723 132 HD2 ARG 15 HD2 ARG 15 -2.650 7.172 18.269 133 HD3 ARG 15 HD1 ARG 15 -3.764 5.821 18.014 134 HE ARG 15 HE ARG 15 -1.852 5.000 19.876 135 HH11 ARG 15 HH11 ARG 15 -4.450 7.341 19.701 136 HH12 ARG 15 HH12 ARG 15 -4.735 7.341 21.410 137 HH21 ARG 15 HH21 ARG 15 -2.252 4.995 22.132 138 HH22 ARG 15 HH22 ARG 15 -3.497 6.016 22.776 139 H LEU 16 HN LEU 16 0.497 6.895 14.496 140 HA LEU 16 HA LEU 16 2.462 7.168 16.517 141 HB2 LEU 16 HB2 LEU 16 2.427 5.695 14.362 142 HB3 LEU 16 HB1 LEU 16 3.000 7.116 13.518 143 HG LEU 16 HG LEU 16 4.784 5.408 14.140 144 HD11 LEU 16 HD11 LEU 16 6.505 6.981 14.824 145 HD12 LEU 16 HD12 LEU 16 5.279 8.166 15.287 146 HD13 LEU 16 HD13 LEU 16 5.458 7.689 13.597 147 HD21 LEU 16 HD21 LEU 16 3.940 4.763 16.352 148 HD22 LEU 16 HD22 LEU 16 4.328 6.366 16.985 149 HD23 LEU 16 HD23 LEU 16 5.619 5.293 16.436 150 H ASP 17 HN ASP 17 1.455 9.328 13.812 151 HA ASP 17 HA ASP 17 3.289 11.351 14.008 152 HB2 ASP 17 HB2 ASP 17 1.691 11.088 12.171 153 HB3 ASP 17 HB1 ASP 17 0.347 11.418 13.250 154 H ALA 18 HN ALA 18 -0.006 11.435 15.459 155 HA ALA 18 HA ALA 18 0.261 13.441 17.271 156 HB1 ALA 18 HB1 ALA 18 -1.830 12.198 16.938 157 HB2 ALA 18 HB2 ALA 18 -1.454 12.376 18.651 158 HB3 ALA 18 HB3 ALA 18 -1.172 10.832 17.839 159 H ILE 19 HN ILE 19 1.617 10.196 17.597 160 HA ILE 19 HA ILE 19 2.313 10.493 20.385 161 HB ILE 19 HB ILE 19 3.091 8.377 18.341 162 HG12 ILE 19 HG12 ILE 19 1.384 8.312 20.884 163 HG13 ILE 19 HG11 ILE 19 0.774 8.278 19.234 164 HG21 ILE 19 HG21 ILE 19 4.015 8.470 21.243 165 HG22 ILE 19 HG22 ILE 19 5.046 8.609 19.821 166 HG23 ILE 19 HG23 ILE 19 4.210 7.095 20.150 167 HD11 ILE 19 HD11 ILE 19 1.869 6.093 18.917 168 HD12 ILE 19 HD12 ILE 19 0.669 6.095 20.209 169 HD13 ILE 19 HD13 ILE 19 2.386 6.136 20.605 170 H ARG 20 HN ARG 20 4.337 10.700 17.356 171 HA ARG 20 HA ARG 20 6.682 11.427 18.658 172 HB2 ARG 20 HB2 ARG 20 7.549 11.991 16.426 173 HB3 ARG 20 HB1 ARG 20 6.669 10.474 16.408 174 HG2 ARG 20 HG2 ARG 20 5.906 11.416 14.433 175 HG3 ARG 20 HG1 ARG 20 4.661 11.966 15.546 176 HD2 ARG 20 HD2 ARG 20 6.031 14.125 15.775 177 HD3 ARG 20 HD1 ARG 20 6.958 13.561 14.383 178 HE ARG 20 HE ARG 20 4.123 13.578 13.897 179 HH11 ARG 20 HH11 ARG 20 6.995 15.605 13.813 180 HH12 ARG 20 HH12 ARG 20 6.242 16.836 12.854 181 HH21 ARG 20 HH21 ARG 20 3.155 15.226 12.659 182 HH22 ARG 20 HH22 ARG 20 4.076 16.623 12.208 183 H HIS 21 HN HIS 21 4.050 13.601 17.379 184 HA HIS 21 HA HIS 21 5.283 16.029 17.962 185 HB2 HIS 21 HB2 HIS 21 3.133 15.570 16.640 186 HB3 HIS 21 HB1 HIS 21 2.312 15.368 18.171 187 HD1 HIS 21 HD1 HIS 21 2.817 17.732 19.814 188 HD2 HIS 21 HD2 HIS 21 2.673 18.067 15.672 189 HE1 HIS 21 HE1 HIS 21 2.249 20.122 19.350 190 HE2 HIS 21 HE2 HIS 21 1.969 20.248 16.857 191 H GLN 22 HN GLN 22 3.257 13.951 19.817 192 HA GLN 22 HA GLN 22 3.058 15.376 22.251 193 HB2 GLN 22 HB2 GLN 22 1.568 13.597 21.989 194 HB3 GLN 22 HB1 GLN 22 2.821 12.466 21.499 195 HG2 GLN 22 HG2 GLN 22 3.621 12.357 23.818 196 HG3 GLN 22 HG1 GLN 22 2.356 13.492 24.308 197 HE21 GLN 22 HE21 GLN 22 2.924 10.292 22.930 198 HE22 GLN 22 HE22 GLN 22 1.416 9.601 23.417 199 H GLN 23 HN GLN 23 5.538 13.042 21.120 200 HA GLN 23 HA GLN 23 7.137 13.299 23.503 201 HB2 GLN 23 HB2 GLN 23 7.607 11.921 20.840 202 HB3 GLN 23 HB1 GLN 23 8.743 11.861 22.187 203 HG2 GLN 23 HG2 GLN 23 6.981 10.820 23.588 204 HG3 GLN 23 HG1 GLN 23 5.906 10.809 22.190 205 HE21 GLN 23 HE21 GLN 23 8.712 9.365 23.667 206 HE22 GLN 23 HE22 GLN 23 8.847 8.032 22.579 207 H ALA 24 HN ALA 24 7.040 14.896 20.392 208 HA ALA 24 HA ALA 24 9.471 16.255 20.545 209 HB1 ALA 24 HB1 ALA 24 8.055 16.315 18.541 210 HB2 ALA 24 HB2 ALA 24 8.495 17.945 19.063 211 HB3 ALA 24 HB3 ALA 24 6.878 17.316 19.395 212 H ASP 25 HN ASP 25 6.233 17.450 21.710 213 HA ASP 25 HA ASP 25 7.267 19.603 23.192 214 HB2 ASP 25 HB2 ASP 25 4.654 18.053 23.359 215 HB3 ASP 25 HB1 ASP 25 4.973 19.509 24.297 216 H LEU 26 HN LEU 26 7.247 16.206 23.837 217 HA LEU 26 HA LEU 26 8.013 16.729 26.659 218 HB2 LEU 26 HB2 LEU 26 7.432 14.058 25.345 219 HB3 LEU 26 HB1 LEU 26 7.935 14.280 27.012 220 HG LEU 26 HG LEU 26 5.255 14.921 25.750 221 HD11 LEU 26 HD11 LEU 26 5.585 12.700 26.762 222 HD12 LEU 26 HD12 LEU 26 4.356 13.636 27.605 223 HD13 LEU 26 HD13 LEU 26 5.967 13.463 28.306 224 HD21 LEU 26 HD21 LEU 26 4.553 16.113 27.788 225 HD22 LEU 26 HD22 LEU 26 5.813 16.985 26.921 226 HD23 LEU 26 HD23 LEU 26 6.217 16.080 28.382 227 H SER 27 HN SER 27 9.849 15.574 27.532 228 HA SER 27 HA SER 27 11.999 14.885 25.623 229 HB2 SER 27 HB2 SER 27 12.339 17.261 26.429 230 HB3 SER 27 HB1 SER 27 12.397 16.648 28.083 231 HG SER 27 HG SER 27 14.433 16.970 26.657 232 H LEU 28 HN LEU 28 13.685 13.616 26.622 233 HA LEU 28 HA LEU 28 12.867 11.662 28.509 234 HB2 LEU 28 HB2 LEU 28 14.575 11.395 26.660 235 HB3 LEU 28 HB1 LEU 28 15.692 12.371 27.592 236 HG LEU 28 HG LEU 28 15.985 9.798 27.639 237 HD11 LEU 28 HD11 LEU 28 15.855 11.173 30.337 238 HD12 LEU 28 HD12 LEU 28 17.205 11.243 29.205 239 HD13 LEU 28 HD13 LEU 28 16.760 9.707 29.941 240 HD21 LEU 28 HD21 LEU 28 13.632 9.979 29.549 241 HD22 LEU 28 HD22 LEU 28 14.619 8.545 29.247 242 HD23 LEU 28 HD23 LEU 28 13.621 9.211 27.957 243 H VAL 29 HN VAL 29 14.763 14.622 28.681 244 HA VAL 29 HA VAL 29 15.869 14.329 31.254 245 HB VAL 29 HB VAL 29 15.249 16.913 29.752 246 HG11 VAL 29 HG11 VAL 29 17.065 17.930 31.102 247 HG12 VAL 29 HG12 VAL 29 17.229 16.426 32.014 248 HG13 VAL 29 HG13 VAL 29 15.740 17.366 32.122 249 HG21 VAL 29 HG21 VAL 29 16.633 15.358 28.420 250 HG22 VAL 29 HG22 VAL 29 17.795 15.245 29.744 251 HG23 VAL 29 HG23 VAL 29 17.558 16.783 28.907 252 H GLU 30 HN GLU 30 12.849 15.856 30.159 253 HA GLU 30 HA GLU 30 12.128 16.784 32.815 254 HB2 GLU 30 HB2 GLU 30 10.073 17.622 31.786 255 HB3 GLU 30 HB1 GLU 30 11.470 18.096 30.824 256 HG2 GLU 30 HG2 GLU 30 10.987 16.353 29.189 257 HG3 GLU 30 HG1 GLU 30 9.664 15.747 30.177 258 H ALA 31 HN ALA 31 11.362 13.991 30.758 259 HA ALA 31 HA ALA 31 9.635 12.867 32.882 260 HB1 ALA 31 HB1 ALA 31 8.133 14.027 31.288 261 HB2 ALA 31 HB2 ALA 31 7.880 12.281 31.256 262 HB3 ALA 31 HB3 ALA 31 8.788 13.065 29.961 263 H ALA 32 HN ALA 32 11.754 11.619 33.101 264 HA ALA 32 HA ALA 32 12.292 9.578 31.090 265 HB1 ALA 32 HB1 ALA 32 14.178 10.542 32.358 266 HB2 ALA 32 HB2 ALA 32 14.051 8.807 32.658 267 HB3 ALA 32 HB3 ALA 32 13.480 9.955 33.869 268 H ASP 33 HN ASP 33 9.978 8.937 31.290 269 HA ASP 33 HA ASP 33 9.247 6.758 32.745 270 HB2 ASP 33 HB2 ASP 33 9.323 8.134 34.813 271 HB3 ASP 33 HB1 ASP 33 8.189 9.279 34.108 272 H LYS 34 HN LYS 34 7.158 9.675 32.506 273 HA LYS 34 HA LYS 34 5.177 8.604 30.913 274 HB2 LYS 34 HB2 LYS 34 5.406 10.964 32.101 275 HB3 LYS 34 HB1 LYS 34 5.956 11.509 30.527 276 HG2 LYS 34 HG2 LYS 34 3.247 10.258 31.130 277 HG3 LYS 34 HG1 LYS 34 3.559 11.980 30.918 278 HD2 LYS 34 HD2 LYS 34 4.281 11.497 28.562 279 HD3 LYS 34 HD1 LYS 34 3.835 9.809 28.802 280 HE2 LYS 34 HE2 LYS 34 1.938 12.173 28.948 281 HE3 LYS 34 HE1 LYS 34 2.099 11.066 27.585 282 HZ1 LYS 34 HZ1 LYS 34 1.181 10.367 30.317 283 HZ2 LYS 34 HZ2 LYS 34 1.399 9.265 29.057 284 HZ3 LYS 34 HZ3 LYS 34 0.227 10.474 28.923 285 H TYR 35 HN TYR 35 8.009 10.426 29.807 286 HA TYR 35 HA TYR 35 7.548 10.199 26.977 287 HB2 TYR 35 HB2 TYR 35 9.080 11.927 27.865 288 HB3 TYR 35 HB1 TYR 35 10.150 10.691 28.479 289 HD1 TYR 35 HD1 TYR 35 8.909 12.291 25.357 290 HD2 TYR 35 HD2 TYR 35 11.827 9.667 27.060 291 HE1 TYR 35 HE1 TYR 35 10.201 12.349 23.273 292 HE2 TYR 35 HE2 TYR 35 13.108 9.736 24.973 293 HH TYR 35 HH TYR 35 12.734 10.177 22.622 294 H ALA 36 HN ALA 36 9.138 8.173 29.366 295 HA ALA 36 HA ALA 36 10.466 6.374 27.623 296 HB1 ALA 36 HB1 ALA 36 11.043 6.622 30.009 297 HB2 ALA 36 HB2 ALA 36 10.732 4.940 29.574 298 HB3 ALA 36 HB3 ALA 36 9.512 5.865 30.454 299 H GLU 37 HN GLU 37 7.284 6.153 29.225 300 HA GLU 37 HA GLU 37 6.429 3.693 28.199 301 HB2 GLU 37 HB2 GLU 37 4.534 6.017 28.734 302 HB3 GLU 37 HB1 GLU 37 4.182 4.295 28.830 303 HG2 GLU 37 HG2 GLU 37 5.820 5.966 30.732 304 HG3 GLU 37 HG1 GLU 37 4.314 5.138 31.055 305 H LEU 38 HN LEU 38 6.032 6.891 27.037 306 HA LEU 38 HA LEU 38 4.694 6.420 24.593 307 HB2 LEU 38 HB2 LEU 38 6.728 8.600 25.084 308 HB3 LEU 38 HB1 LEU 38 5.527 8.572 23.798 309 HG LEU 38 HG LEU 38 4.993 8.831 26.773 310 HD11 LEU 38 HD11 LEU 38 5.803 10.874 25.745 311 HD12 LEU 38 HD12 LEU 38 4.111 11.036 26.208 312 HD13 LEU 38 HD13 LEU 38 4.542 10.784 24.515 313 HD21 LEU 38 HD21 LEU 38 2.939 8.623 24.549 314 HD22 LEU 38 HD22 LEU 38 2.599 9.029 26.235 315 HD23 LEU 38 HD23 LEU 38 3.229 7.436 25.823 316 H GLU 39 HN GLU 39 8.225 6.532 25.115 317 HA GLU 39 HA GLU 39 9.171 5.648 22.633 318 HB2 GLU 39 HB2 GLU 39 10.218 5.107 25.438 319 HB3 GLU 39 HB1 GLU 39 11.115 4.653 23.997 320 HG2 GLU 39 HG2 GLU 39 10.262 7.500 24.617 321 HG3 GLU 39 HG1 GLU 39 11.807 6.820 25.119 322 H LYS 40 HN LYS 40 7.872 3.839 25.230 323 HA LYS 40 HA LYS 40 8.446 1.145 24.266 324 HB2 LYS 40 HB2 LYS 40 6.310 1.984 26.263 325 HB3 LYS 40 HB1 LYS 40 6.837 0.326 25.966 326 HG2 LYS 40 HG2 LYS 40 9.086 0.875 26.798 327 HG3 LYS 40 HG1 LYS 40 8.599 2.548 27.028 328 HD2 LYS 40 HD2 LYS 40 6.875 1.808 28.671 329 HD3 LYS 40 HD1 LYS 40 7.458 0.149 28.501 330 HE2 LYS 40 HE2 LYS 40 9.643 0.811 29.410 331 HE3 LYS 40 HE1 LYS 40 9.118 2.495 29.502 332 HZ1 LYS 40 HZ1 LYS 40 8.980 1.341 31.629 333 HZ2 LYS 40 HZ2 LYS 40 7.863 0.253 30.982 334 HZ3 LYS 40 HZ3 LYS 40 7.468 1.890 31.109 335 H GLU 41 HN GLU 41 5.475 3.003 24.453 336 HA GLU 41 HA GLU 41 3.691 1.583 22.900 337 HB2 GLU 41 HB2 GLU 41 3.936 4.603 23.244 338 HB3 GLU 41 HB1 GLU 41 2.582 3.845 22.407 339 HG2 GLU 41 HG2 GLU 41 3.339 3.394 25.307 340 HG3 GLU 41 HG1 GLU 41 2.034 4.432 24.734 341 H LYS 42 HN LYS 42 6.024 3.993 21.892 342 HA LYS 42 HA LYS 42 5.535 4.020 19.097 343 HB2 LYS 42 HB2 LYS 42 6.960 5.723 20.226 344 HB3 LYS 42 HB1 LYS 42 8.173 4.492 20.564 345 HG2 LYS 42 HG2 LYS 42 8.382 4.162 18.033 346 HG3 LYS 42 HG1 LYS 42 7.398 5.617 17.849 347 HD2 LYS 42 HD2 LYS 42 10.076 5.442 19.276 348 HD3 LYS 42 HD1 LYS 42 9.819 6.113 17.666 349 HE2 LYS 42 HE2 LYS 42 8.406 7.887 18.629 350 HE3 LYS 42 HE1 LYS 42 8.636 7.213 20.243 351 HZ1 LYS 42 HZ1 LYS 42 10.983 7.684 20.082 352 HZ2 LYS 42 HZ2 LYS 42 10.082 9.087 19.824 353 HZ3 LYS 42 HZ3 LYS 42 10.789 8.295 18.514 354 H ALA 43 HN ALA 43 8.147 2.392 20.857 355 HA ALA 43 HA ALA 43 9.362 0.878 18.917 356 HB1 ALA 43 HB1 ALA 43 10.254 1.132 21.189 357 HB2 ALA 43 HB2 ALA 43 10.244 -0.564 20.701 358 HB3 ALA 43 HB3 ALA 43 9.008 0.046 21.806 359 H THR 44 HN THR 44 6.681 -0.191 20.888 360 HA THR 44 HA THR 44 6.283 -2.765 19.722 361 HB THR 44 HB THR 44 4.238 -1.157 21.335 362 HG1 THR 44 HG1 THR 44 6.474 -1.519 22.235 363 HG21 THR 44 HG21 THR 44 4.619 -4.164 21.030 364 HG22 THR 44 HG22 THR 44 3.320 -3.223 20.296 365 HG23 THR 44 HG23 THR 44 3.411 -3.375 22.052 366 H LEU 45 HN LEU 45 4.458 0.291 19.387 367 HA LEU 45 HA LEU 45 2.695 -0.392 17.375 368 HB2 LEU 45 HB2 LEU 45 4.092 2.229 17.883 369 HB3 LEU 45 HB1 LEU 45 3.250 2.042 16.354 370 HG LEU 45 HG LEU 45 2.006 1.967 19.125 371 HD11 LEU 45 HD11 LEU 45 2.478 4.208 18.296 372 HD12 LEU 45 HD12 LEU 45 0.742 3.915 18.318 373 HD13 LEU 45 HD13 LEU 45 1.627 3.855 16.791 374 HD21 LEU 45 HD21 LEU 45 0.667 1.396 16.457 375 HD22 LEU 45 HD22 LEU 45 -0.169 1.638 17.992 376 HD23 LEU 45 HD23 LEU 45 0.893 0.251 17.786 377 H GLU 46 HN GLU 46 6.047 0.696 16.857 378 HA GLU 46 HA GLU 46 6.213 0.344 14.122 379 HB2 GLU 46 HB2 GLU 46 8.442 0.013 16.168 380 HB3 GLU 46 HB1 GLU 46 8.654 0.281 14.436 381 HG2 GLU 46 HG2 GLU 46 7.535 2.488 14.652 382 HG3 GLU 46 HG1 GLU 46 7.363 2.228 16.382 383 H ALA 47 HN ALA 47 7.906 -1.899 16.304 384 HA ALA 47 HA ALA 47 8.234 -4.253 15.193 385 HB1 ALA 47 HB1 ALA 47 7.649 -5.410 17.282 386 HB2 ALA 47 HB2 ALA 47 6.705 -4.007 17.807 387 HB3 ALA 47 HB3 ALA 47 8.458 -3.886 17.615 388 H GLU 48 HN GLU 48 4.955 -3.483 16.340 389 HA GLU 48 HA GLU 48 3.475 -5.534 15.185 390 HB2 GLU 48 HB2 GLU 48 2.652 -3.966 16.945 391 HB3 GLU 48 HB1 GLU 48 2.632 -2.663 15.764 392 HG2 GLU 48 HG2 GLU 48 0.404 -3.288 15.889 393 HG3 GLU 48 HG1 GLU 48 0.962 -4.128 14.450 394 H ILE 49 HN ILE 49 3.422 -2.228 14.099 395 HA ILE 49 HA ILE 49 2.123 -2.711 11.642 396 HB ILE 49 HB ILE 49 2.520 -0.444 10.905 397 HG12 ILE 49 HG12 ILE 49 4.587 -0.232 13.146 398 HG13 ILE 49 HG11 ILE 49 4.943 -0.244 11.425 399 HG21 ILE 49 HG21 ILE 49 2.039 -0.505 13.907 400 HG22 ILE 49 HG22 ILE 49 0.824 -0.751 12.653 401 HG23 ILE 49 HG23 ILE 49 1.600 0.821 12.825 402 HD11 ILE 49 HD11 ILE 49 3.805 1.893 11.179 403 HD12 ILE 49 HD12 ILE 49 5.110 1.969 12.362 404 HD13 ILE 49 HD13 ILE 49 3.435 1.894 12.906 405 H ALA 50 HN ALA 50 5.280 -3.610 12.276 406 HA ALA 50 HA ALA 50 6.243 -3.228 9.520 407 HB1 ALA 50 HB1 ALA 50 8.527 -3.404 10.427 408 HB2 ALA 50 HB2 ALA 50 7.875 -3.561 12.060 409 HB3 ALA 50 HB3 ALA 50 7.655 -2.057 11.166 410 H ARG 51 HN ARG 51 5.873 -5.325 12.212 411 HA ARG 51 HA ARG 51 6.360 -7.896 11.101 412 HB2 ARG 51 HB2 ARG 51 5.742 -7.529 13.518 413 HB3 ARG 51 HB1 ARG 51 4.076 -7.258 13.027 414 HG2 ARG 51 HG2 ARG 51 4.326 -9.519 13.888 415 HG3 ARG 51 HG1 ARG 51 3.970 -9.585 12.158 416 HD2 ARG 51 HD2 ARG 51 6.381 -9.923 11.684 417 HD3 ARG 51 HD1 ARG 51 6.718 -9.871 13.419 418 HE ARG 51 HE ARG 51 4.817 -11.845 13.049 419 HH11 ARG 51 HH11 ARG 51 8.137 -11.322 12.010 420 HH12 ARG 51 HH12 ARG 51 8.491 -13.018 11.960 421 HH21 ARG 51 HH21 ARG 51 5.310 -14.028 12.977 422 HH22 ARG 51 HH22 ARG 51 6.898 -14.546 12.510 423 H LEU 52 HN LEU 52 3.381 -6.116 11.234 424 HA LEU 52 HA LEU 52 1.802 -7.506 9.395 425 HB2 LEU 52 HB2 LEU 52 1.714 -4.669 10.435 426 HB3 LEU 52 HB1 LEU 52 0.662 -5.111 9.105 427 HG LEU 52 HG LEU 52 -0.554 -5.224 11.238 428 HD11 LEU 52 HD11 LEU 52 -0.122 -7.994 10.091 429 HD12 LEU 52 HD12 LEU 52 -1.241 -6.770 9.484 430 HD13 LEU 52 HD13 LEU 52 -1.492 -7.473 11.078 431 HD21 LEU 52 HD21 LEU 52 -0.031 -6.877 12.979 432 HD22 LEU 52 HD22 LEU 52 1.275 -5.713 12.782 433 HD23 LEU 52 HD23 LEU 52 1.440 -7.338 12.115 434 H ARG 53 HN ARG 53 4.014 -4.700 8.826 435 HA ARG 53 HA ARG 53 3.708 -4.922 5.951 436 HB2 ARG 53 HB2 ARG 53 5.418 -3.168 7.740 437 HB3 ARG 53 HB1 ARG 53 5.595 -3.146 5.991 438 HG2 ARG 53 HG2 ARG 53 3.359 -2.309 5.677 439 HG3 ARG 53 HG1 ARG 53 2.951 -2.570 7.376 440 HD2 ARG 53 HD2 ARG 53 4.588 -0.844 8.034 441 HD3 ARG 53 HD1 ARG 53 5.008 -0.584 6.338 442 HE ARG 53 HE ARG 53 2.418 -0.090 6.237 443 HH11 ARG 53 HH11 ARG 53 4.681 0.994 8.703 444 HH12 ARG 53 HH12 ARG 53 3.833 2.477 8.998 445 HH21 ARG 53 HH21 ARG 53 1.343 1.876 6.613 446 HH22 ARG 53 HH22 ARG 53 1.950 2.986 7.803 447 H GLU 54 HN GLU 54 5.603 -6.858 8.071 448 HA GLU 54 HA GLU 54 7.458 -7.494 5.862 449 HB2 GLU 54 HB2 GLU 54 8.739 -8.848 7.286 450 HB3 GLU 54 HB1 GLU 54 8.282 -7.475 8.286 451 HG2 GLU 54 HG2 GLU 54 6.529 -8.848 9.356 452 HG3 GLU 54 HG1 GLU 54 6.985 -10.218 8.348 453 H VAL 55 HN VAL 55 4.616 -8.511 7.330 454 HA VAL 55 HA VAL 55 4.179 -10.951 5.799 455 HB VAL 55 HB VAL 55 2.045 -9.002 6.836 456 HG11 VAL 55 HG11 VAL 55 1.165 -10.369 4.984 457 HG12 VAL 55 HG12 VAL 55 0.448 -10.883 6.510 458 HG13 VAL 55 HG13 VAL 55 1.734 -11.842 5.772 459 HG21 VAL 55 HG21 VAL 55 1.720 -10.648 8.658 460 HG22 VAL 55 HG22 VAL 55 3.363 -10.019 8.662 461 HG23 VAL 55 HG23 VAL 55 3.044 -11.629 8.020 462 H HIS 56 HN HIS 56 3.357 -7.427 5.284 463 HA HIS 56 HA HIS 56 3.294 -7.806 2.421 464 HB2 HIS 56 HB2 HIS 56 3.103 -5.361 4.217 465 HB3 HIS 56 HB1 HIS 56 3.006 -5.283 2.460 466 HD1 HIS 56 HD1 HIS 56 0.705 -5.392 1.545 467 HD2 HIS 56 HD2 HIS 56 0.926 -7.114 5.316 468 HE1 HIS 56 HE1 HIS 56 -1.653 -5.937 2.174 469 HE2 HIS 56 HE2 HIS 56 -1.509 -6.829 4.516 470 H SER 57 HN SER 57 5.897 -8.568 3.497 471 HA SER 57 HA SER 57 7.501 -6.822 1.725 472 HB2 SER 57 HB2 SER 57 8.061 -6.094 4.043 473 HB3 SER 57 HB1 SER 57 8.513 -7.748 4.446 474 HG SER 57 HG SER 57 9.737 -6.062 2.515 475 H GLN 58 HN GLN 58 7.796 -9.772 3.755 476 HA GLN 58 HA GLN 58 9.193 -11.437 2.007 477 HB2 GLN 58 HB2 GLN 58 6.855 -12.241 3.797 478 HB3 GLN 58 HB1 GLN 58 8.099 -13.324 3.181 479 HG2 GLN 58 HG2 GLN 58 9.764 -12.377 4.619 480 HG3 GLN 58 HG1 GLN 58 8.726 -11.011 5.039 481 HE21 GLN 58 HE21 GLN 58 8.729 -11.399 7.262 482 HE22 GLN 58 HE22 GLN 58 7.970 -12.774 7.975 483 H LYS 59 HN LYS 59 5.745 -10.707 2.246 484 HA LYS 59 HA LYS 59 5.344 -11.429 -0.586 485 HB2 LYS 59 HB2 LYS 59 3.238 -11.622 1.630 486 HB3 LYS 59 HB1 LYS 59 2.983 -11.977 -0.066 487 HG2 LYS 59 HG2 LYS 59 3.115 -14.100 0.918 488 HG3 LYS 59 HG1 LYS 59 4.735 -13.871 0.256 489 HD2 LYS 59 HD2 LYS 59 5.566 -13.233 2.496 490 HD3 LYS 59 HD1 LYS 59 3.945 -13.419 3.169 491 HE2 LYS 59 HE2 LYS 59 4.005 -15.832 2.629 492 HE3 LYS 59 HE1 LYS 59 5.616 -15.638 1.933 493 HZ1 LYS 59 HZ1 LYS 59 4.941 -15.039 4.759 494 HZ2 LYS 59 HZ2 LYS 59 6.482 -15.044 4.065 495 HZ3 LYS 59 HZ3 LYS 59 5.625 -16.492 4.234 496 H LEU 60 HN LEU 60 6.017 -9.255 -1.033 497 HA LEU 60 HA LEU 60 5.500 -6.906 0.242 498 HB2 LEU 60 HB2 LEU 60 6.941 -7.212 -1.801 499 HB3 LEU 60 HB1 LEU 60 5.501 -7.142 -2.794 500 HG LEU 60 HG LEU 60 6.252 -4.781 -1.008 501 HD11 LEU 60 HD11 LEU 60 7.471 -3.730 -2.857 502 HD12 LEU 60 HD12 LEU 60 7.274 -5.186 -3.833 503 HD13 LEU 60 HD13 LEU 60 8.247 -5.236 -2.363 504 HD21 LEU 60 HD21 LEU 60 4.002 -4.687 -1.996 505 HD22 LEU 60 HD22 LEU 60 4.684 -4.879 -3.611 506 HD23 LEU 60 HD23 LEU 60 5.035 -3.428 -2.670 507 H SER 61 HN SER 61 3.461 -8.121 -2.363 508 HA SER 61 HA SER 61 1.020 -7.477 -0.966 509 HB2 SER 61 HB2 SER 61 1.432 -5.329 -2.192 510 HB3 SER 61 HB1 SER 61 1.585 -6.215 -3.706 511 HG SER 61 HG SER 61 -0.666 -5.480 -2.299 512 H LYS 62 HN LYS 62 -0.871 -8.307 -2.535 513 HA LYS 62 HA LYS 62 -0.337 -11.033 -3.078 514 HB2 LYS 62 HB2 LYS 62 -2.683 -9.382 -4.090 515 HB3 LYS 62 HB1 LYS 62 -2.619 -11.141 -3.973 516 HG2 LYS 62 HG2 LYS 62 -2.440 -10.950 -1.501 517 HG3 LYS 62 HG1 LYS 62 -2.579 -9.193 -1.637 518 HD2 LYS 62 HD2 LYS 62 -4.675 -11.238 -2.469 519 HD3 LYS 62 HD1 LYS 62 -4.742 -10.214 -1.037 520 HE2 LYS 62 HE2 LYS 62 -4.807 -8.203 -2.541 521 HE3 LYS 62 HE1 LYS 62 -4.875 -9.290 -3.932 522 HZ1 LYS 62 HZ1 LYS 62 -6.871 -9.071 -1.751 523 HZ2 LYS 62 HZ2 LYS 62 -6.924 -10.226 -2.983 524 HZ3 LYS 62 HZ3 LYS 62 -7.069 -8.588 -3.358 525 H GLU 63 HN GLU 63 -1.444 -8.610 -5.417 526 HA GLU 63 HA GLU 63 -0.717 -9.926 -7.763 527 HB2 GLU 63 HB2 GLU 63 -2.295 -7.920 -7.592 528 HB3 GLU 63 HB1 GLU 63 -0.880 -6.898 -7.472 529 HG2 GLU 63 HG2 GLU 63 -1.805 -6.938 -9.756 530 HG3 GLU 63 HG1 GLU 63 -0.147 -7.540 -9.706 531 H ALA 64 HN ALA 64 1.158 -7.550 -5.818 532 HA ALA 64 HA ALA 64 3.287 -7.101 -7.631 533 HB1 ALA 64 HB1 ALA 64 3.395 -6.987 -4.596 534 HB2 ALA 64 HB2 ALA 64 2.880 -5.676 -5.661 535 HB3 ALA 64 HB3 ALA 64 4.546 -6.249 -5.715 536 H GLN 65 HN GLN 65 3.222 -9.258 -4.766 537 HA GLN 65 HA GLN 65 5.729 -10.477 -5.101 538 HB2 GLN 65 HB2 GLN 65 4.059 -10.563 -3.096 539 HB3 GLN 65 HB1 GLN 65 3.336 -11.937 -3.908 540 HG2 GLN 65 HG2 GLN 65 6.254 -11.821 -3.103 541 HG3 GLN 65 HG1 GLN 65 4.989 -12.432 -2.046 542 HE21 GLN 65 HE21 GLN 65 7.319 -13.761 -3.112 543 HE22 GLN 65 HE22 GLN 65 6.741 -15.158 -3.956 544 H LYS 66 HN LYS 66 2.546 -11.386 -6.443 545 HA LYS 66 HA LYS 66 3.260 -13.600 -7.974 546 HB2 LYS 66 HB2 LYS 66 0.988 -13.123 -7.430 547 HB3 LYS 66 HB1 LYS 66 1.064 -11.523 -8.155 548 HG2 LYS 66 HG2 LYS 66 1.155 -12.487 -10.386 549 HG3 LYS 66 HG1 LYS 66 1.213 -14.120 -9.707 550 HD2 LYS 66 HD2 LYS 66 -1.044 -13.890 -8.804 551 HD3 LYS 66 HD1 LYS 66 -1.096 -12.181 -9.247 552 HE2 LYS 66 HE2 LYS 66 -0.902 -14.467 -11.227 553 HE3 LYS 66 HE1 LYS 66 -2.395 -13.626 -10.798 554 HZ1 LYS 66 HZ1 LYS 66 -0.004 -12.436 -12.073 555 HZ2 LYS 66 HZ2 LYS 66 -1.353 -11.558 -11.566 556 HZ3 LYS 66 HZ3 LYS 66 -1.508 -12.705 -12.797 557 H LEU 67 HN LEU 67 3.082 -10.108 -9.081 558 HA LEU 67 HA LEU 67 3.983 -10.351 -11.602 559 HB2 LEU 67 HB2 LEU 67 4.595 -8.134 -9.614 560 HB3 LEU 67 HB1 LEU 67 4.874 -8.007 -11.344 561 HG LEU 67 HG LEU 67 2.136 -8.319 -10.044 562 HD11 LEU 67 HD11 LEU 67 3.401 -5.854 -11.276 563 HD12 LEU 67 HD12 LEU 67 3.125 -6.120 -9.552 564 HD13 LEU 67 HD13 LEU 67 1.753 -5.976 -10.651 565 HD21 LEU 67 HD21 LEU 67 2.236 -9.285 -12.329 566 HD22 LEU 67 HD22 LEU 67 2.812 -7.724 -12.939 567 HD23 LEU 67 HD23 LEU 67 1.197 -7.861 -12.237 568 H MET 68 HN MET 68 5.903 -10.894 -8.659 569 HA MET 68 HA MET 68 8.398 -10.202 -10.007 570 HB2 MET 68 HB2 MET 68 7.787 -11.093 -7.151 571 HB3 MET 68 HB1 MET 68 9.371 -10.605 -7.758 572 HG2 MET 68 HG2 MET 68 8.491 -8.361 -8.232 573 HG3 MET 68 HG1 MET 68 6.918 -8.844 -7.620 574 HE1 MET 68 HE1 MET 68 8.237 -6.352 -4.898 575 HE2 MET 68 HE2 MET 68 6.928 -6.707 -6.021 576 HE3 MET 68 HE3 MET 68 8.519 -6.258 -6.634 577 H LYS 69 HN LYS 69 6.527 -12.971 -8.680 578 HA LYS 69 HA LYS 69 8.485 -14.906 -9.657 579 HB2 LYS 69 HB2 LYS 69 7.038 -16.615 -8.720 580 HB3 LYS 69 HB1 LYS 69 7.207 -15.313 -7.548 581 HG2 LYS 69 HG2 LYS 69 4.985 -14.447 -8.167 582 HG3 LYS 69 HG1 LYS 69 4.817 -15.720 -9.378 583 HD2 LYS 69 HD2 LYS 69 4.915 -17.431 -7.562 584 HD3 LYS 69 HD1 LYS 69 5.013 -16.134 -6.365 585 HE2 LYS 69 HE2 LYS 69 2.795 -15.299 -7.132 586 HE3 LYS 69 HE1 LYS 69 2.706 -16.634 -8.281 587 HZ1 LYS 69 HZ1 LYS 69 1.452 -17.084 -6.289 588 HZ2 LYS 69 HZ2 LYS 69 2.831 -16.888 -5.333 589 HZ3 LYS 69 HZ3 LYS 69 2.738 -18.173 -6.429 590 H MET 70 HN MET 70 6.559 -13.044 -11.451 591 HA MET 70 HA MET 70 4.925 -14.648 -13.051 592 HB2 MET 70 HB2 MET 70 6.331 -12.024 -13.490 593 HB3 MET 70 HB1 MET 70 5.702 -12.828 -14.919 594 HG2 MET 70 HG2 MET 70 4.049 -12.061 -12.510 595 HG3 MET 70 HG1 MET 70 4.162 -11.142 -14.008 596 HE1 MET 70 HE1 MET 70 1.311 -11.691 -13.160 597 HE2 MET 70 HE2 MET 70 0.589 -12.476 -14.567 598 HE3 MET 70 HE3 MET 70 1.689 -11.107 -14.787 599 HA PRO 71 HA PRO 71 7.881 -16.921 -15.633 600 HB2 PRO 71 HB2 PRO 71 6.281 -17.568 -17.768 601 HB3 PRO 71 HB1 PRO 71 6.179 -18.388 -16.205 602 HG2 PRO 71 HG2 PRO 71 4.446 -16.192 -17.313 603 HG3 PRO 71 HG1 PRO 71 3.969 -17.649 -16.414 604 HD2 PRO 71 HD2 PRO 71 4.175 -15.177 -15.249 605 HD3 PRO 71 HD1 PRO 71 4.457 -16.689 -14.355 606 H PHE 72 HN PHE 72 5.809 -14.630 -17.557 607 HA PHE 72 HA PHE 72 8.120 -14.253 -19.402 608 HB2 PHE 72 HB2 PHE 72 5.124 -14.026 -20.030 609 HB3 PHE 72 HB1 PHE 72 6.430 -13.688 -21.163 610 HD1 PHE 72 HD1 PHE 72 7.990 -15.604 -21.855 611 HD2 PHE 72 HD2 PHE 72 4.320 -16.267 -19.767 612 HE1 PHE 72 HE1 PHE 72 7.997 -17.951 -22.583 613 HE2 PHE 72 HE2 PHE 72 4.329 -18.612 -20.505 614 HZ PHE 72 HZ PHE 72 6.168 -19.461 -21.910 615 H GLN 73 HN GLN 73 8.939 -12.077 -19.182 616 HA GLN 73 HA GLN 73 7.251 -9.886 -18.534 617 HB2 GLN 73 HB2 GLN 73 7.879 -9.379 -16.276 618 HB3 GLN 73 HB1 GLN 73 7.354 -11.053 -16.268 619 HG2 GLN 73 HG2 GLN 73 10.255 -10.148 -16.269 620 HG3 GLN 73 HG1 GLN 73 9.343 -10.599 -14.836 621 HE21 GLN 73 HE21 GLN 73 8.848 -12.766 -14.492 622 HE22 GLN 73 HE22 GLN 73 9.624 -14.053 -15.338 623 H ARG 74 HN ARG 74 8.592 -7.938 -17.941 624 HA ARG 74 HA ARG 74 11.356 -7.643 -18.447 625 HB2 ARG 74 HB2 ARG 74 11.462 -6.812 -20.773 626 HB3 ARG 74 HB1 ARG 74 10.864 -8.467 -20.742 627 HG2 ARG 74 HG2 ARG 74 8.551 -7.638 -21.046 628 HG3 ARG 74 HG1 ARG 74 9.149 -5.978 -21.085 629 HD2 ARG 74 HD2 ARG 74 10.480 -6.524 -23.103 630 HD3 ARG 74 HD1 ARG 74 9.852 -8.174 -23.059 631 HE ARG 74 HE ARG 74 7.682 -6.393 -23.141 632 HH11 ARG 74 HH11 ARG 74 10.247 -7.554 -25.224 633 HH12 ARG 74 HH12 ARG 74 9.367 -7.255 -26.685 634 HH21 ARG 74 HH21 ARG 74 6.530 -6.000 -25.075 635 HH22 ARG 74 HH22 ARG 74 7.268 -6.351 -26.602 636 H ALA 75 HN ALA 75 11.730 -5.251 -19.546 637 HA ALA 75 HA ALA 75 9.699 -3.338 -18.560 638 HB1 ALA 75 HB1 ALA 75 11.553 -1.695 -18.389 639 HB2 ALA 75 HB2 ALA 75 12.708 -2.948 -18.858 640 HB3 ALA 75 HB3 ALA 75 11.832 -3.080 -17.331 641 H ILE 76 HN ILE 76 9.188 -1.613 -20.321 642 HA ILE 76 HA ILE 76 9.206 -3.051 -22.851 643 HB ILE 76 HB ILE 76 7.439 -0.785 -21.771 644 HG12 ILE 76 HG12 ILE 76 7.068 -2.788 -20.386 645 HG13 ILE 76 HG11 ILE 76 5.660 -2.480 -21.393 646 HG21 ILE 76 HG21 ILE 76 7.010 -2.551 -24.200 647 HG22 ILE 76 HG22 ILE 76 7.490 -0.852 -24.219 648 HG23 ILE 76 HG23 ILE 76 5.902 -1.311 -23.608 649 HD11 ILE 76 HD11 ILE 76 6.347 -4.287 -22.908 650 HD12 ILE 76 HD12 ILE 76 6.142 -4.853 -21.250 651 HD13 ILE 76 HD13 ILE 76 7.761 -4.592 -21.894 652 H THR 77 HN THR 77 10.340 -2.099 -24.530 653 HA THR 77 HA THR 77 11.794 0.355 -24.366 654 HB THR 77 HB THR 77 12.284 -0.069 -26.785 655 HG1 THR 77 HG1 THR 77 11.333 -2.286 -27.433 656 HG21 THR 77 HG21 THR 77 12.488 -2.594 -25.093 657 HG22 THR 77 HG22 THR 77 13.639 -1.255 -25.077 658 HG23 THR 77 HG23 THR 77 13.439 -2.233 -26.533 659 H LYS 78 HN LYS 78 11.414 1.715 -26.794 660 HA LYS 78 HA LYS 78 8.989 3.246 -26.076 661 HB2 LYS 78 HB2 LYS 78 11.447 4.077 -27.674 662 HB3 LYS 78 HB1 LYS 78 10.076 5.123 -27.305 663 HG2 LYS 78 HG2 LYS 78 10.578 4.916 -24.887 664 HG3 LYS 78 HG1 LYS 78 11.963 3.891 -25.269 665 HD2 LYS 78 HD2 LYS 78 11.691 6.751 -26.281 666 HD3 LYS 78 HD1 LYS 78 12.465 6.349 -24.753 667 HE2 LYS 78 HE2 LYS 78 14.206 6.627 -26.374 668 HE3 LYS 78 HE1 LYS 78 14.090 4.902 -26.041 669 HZ1 LYS 78 HZ1 LYS 78 14.358 5.381 -28.390 670 HZ2 LYS 78 HZ2 LYS 78 12.933 6.280 -28.405 671 HZ3 LYS 78 HZ3 LYS 78 12.881 4.618 -28.106 672 H LYS 79 HN LYS 79 10.465 1.373 -28.329 673 HA LYS 79 HA LYS 79 8.934 1.940 -30.720 674 HB2 LYS 79 HB2 LYS 79 10.695 -0.405 -29.986 675 HB3 LYS 79 HB1 LYS 79 9.616 -0.539 -31.373 676 HG2 LYS 79 HG2 LYS 79 10.667 1.630 -32.236 677 HG3 LYS 79 HG1 LYS 79 11.899 1.425 -30.986 678 HD2 LYS 79 HD2 LYS 79 12.623 -0.675 -31.971 679 HD3 LYS 79 HD1 LYS 79 11.261 -0.666 -33.097 680 HE2 LYS 79 HE2 LYS 79 12.164 1.354 -34.190 681 HE3 LYS 79 HE1 LYS 79 13.521 1.367 -33.060 682 HZ1 LYS 79 HZ1 LYS 79 12.928 -0.797 -35.002 683 HZ2 LYS 79 HZ2 LYS 79 14.247 -0.750 -33.943 684 HZ3 LYS 79 HZ3 LYS 79 14.116 0.389 -35.188 685 H GLU 80 HN GLU 80 8.565 -0.248 -27.969 686 HA GLU 80 HA GLU 80 6.141 -1.481 -28.951 687 HB2 GLU 80 HB2 GLU 80 7.696 -1.628 -26.343 688 HB3 GLU 80 HB1 GLU 80 6.179 -2.475 -26.597 689 HG2 GLU 80 HG2 GLU 80 8.677 -2.900 -28.256 690 HG3 GLU 80 HG1 GLU 80 8.207 -3.896 -26.878 691 H GLN 81 HN GLN 81 7.151 1.088 -26.620 692 HA GLN 81 HA GLN 81 4.711 1.703 -25.614 693 HB2 GLN 81 HB2 GLN 81 7.167 3.400 -26.038 694 HB3 GLN 81 HB1 GLN 81 5.740 4.084 -25.274 695 HG2 GLN 81 HG2 GLN 81 5.906 2.604 -23.400 696 HG3 GLN 81 HG1 GLN 81 7.074 1.574 -24.224 697 HE21 GLN 81 HE21 GLN 81 8.523 1.774 -22.477 698 HE22 GLN 81 HE22 GLN 81 9.438 3.211 -22.195 699 H ALA 82 HN ALA 82 5.881 2.802 -28.849 700 HA ALA 82 HA ALA 82 4.303 4.992 -29.245 701 HB1 ALA 82 HB1 ALA 82 4.574 4.501 -31.639 702 HB2 ALA 82 HB2 ALA 82 5.080 2.852 -31.252 703 HB3 ALA 82 HB3 ALA 82 6.076 4.220 -30.756 704 H ASP 83 HN ASP 83 3.329 1.574 -29.545 705 HA ASP 83 HA ASP 83 0.491 2.394 -29.662 706 HB2 ASP 83 HB2 ASP 83 1.710 0.210 -31.422 707 HB3 ASP 83 HB1 ASP 83 0.000 0.613 -31.326 708 H MET 84 HN MET 84 -0.001 1.781 -27.597 709 HA MET 84 HA MET 84 1.053 -0.393 -26.172 710 HB2 MET 84 HB2 MET 84 -1.302 1.446 -25.738 711 HB3 MET 84 HB1 MET 84 -1.124 0.037 -24.694 712 HG2 MET 84 HG2 MET 84 0.982 2.174 -25.101 713 HG3 MET 84 HG1 MET 84 -0.098 2.045 -23.706 714 HE1 MET 84 HE1 MET 84 3.659 0.851 -22.628 715 HE2 MET 84 HE2 MET 84 2.549 2.219 -22.551 716 HE3 MET 84 HE3 MET 84 3.391 1.848 -24.059 717 H GLY 85 HN GLY 85 -2.306 -0.318 -27.680 718 HA2 GLY 85 HA2 GLY 85 -3.034 -2.820 -27.635 719 HA3 GLY 85 HA1 GLY 85 -3.133 -1.929 -29.141 720 H LYS 86 HN LYS 86 -1.372 -2.123 -30.600 721 HA LYS 86 HA LYS 86 -0.196 -4.310 -31.461 722 HB2 LYS 86 HB2 LYS 86 0.251 -2.058 -32.398 723 HB3 LYS 86 HB1 LYS 86 1.423 -1.758 -31.134 724 HG2 LYS 86 HG2 LYS 86 1.844 -4.095 -32.986 725 HG3 LYS 86 HG1 LYS 86 2.165 -2.471 -33.585 726 HD2 LYS 86 HD2 LYS 86 3.465 -3.754 -31.158 727 HD3 LYS 86 HD1 LYS 86 4.207 -3.569 -32.748 728 HE2 LYS 86 HE2 LYS 86 4.006 -1.083 -32.490 729 HE3 LYS 86 HE1 LYS 86 3.389 -1.334 -30.854 730 HZ1 LYS 86 HZ1 LYS 86 5.718 -0.867 -30.800 731 HZ2 LYS 86 HZ2 LYS 86 6.056 -2.117 -31.877 732 HZ3 LYS 86 HZ3 LYS 86 5.482 -2.472 -30.330 733 H LEU 87 HN LEU 87 1.007 -2.693 -28.653 734 HA LEU 87 HA LEU 87 3.443 -4.286 -28.262 735 HB2 LEU 87 HB2 LEU 87 3.651 -2.256 -27.092 736 HB3 LEU 87 HB1 LEU 87 1.980 -2.264 -26.565 737 HG LEU 87 HG LEU 87 2.517 -4.049 -24.900 738 HD11 LEU 87 HD11 LEU 87 4.468 -5.096 -25.999 739 HD12 LEU 87 HD12 LEU 87 4.799 -4.664 -24.325 740 HD13 LEU 87 HD13 LEU 87 5.432 -3.667 -25.630 741 HD21 LEU 87 HD21 LEU 87 2.505 -1.737 -24.192 742 HD22 LEU 87 HD22 LEU 87 4.204 -1.559 -24.634 743 HD23 LEU 87 HD23 LEU 87 3.740 -2.638 -23.315 744 H LYS 88 HN LYS 88 0.071 -4.308 -26.838 745 HA LYS 88 HA LYS 88 0.833 -6.398 -24.924 746 HB2 LYS 88 HB2 LYS 88 -1.642 -4.656 -25.206 747 HB3 LYS 88 HB1 LYS 88 -1.357 -5.788 -23.889 748 HG2 LYS 88 HG2 LYS 88 0.479 -4.426 -23.057 749 HG3 LYS 88 HG1 LYS 88 0.366 -3.358 -24.461 750 HD2 LYS 88 HD2 LYS 88 -1.952 -2.726 -23.748 751 HD3 LYS 88 HD1 LYS 88 -1.757 -3.721 -22.302 752 HE2 LYS 88 HE2 LYS 88 0.104 -2.290 -21.566 753 HE3 LYS 88 HE1 LYS 88 -0.053 -1.314 -23.028 754 HZ1 LYS 88 HZ1 LYS 88 -2.273 -0.693 -22.315 755 HZ2 LYS 88 HZ2 LYS 88 -1.126 -0.272 -21.155 756 HZ3 LYS 88 HZ3 LYS 88 -2.113 -1.620 -20.913 757 H LYS 89 HN LYS 89 -0.319 -6.356 -28.093 758 HA LYS 89 HA LYS 89 -2.785 -7.930 -27.715 759 HB2 LYS 89 HB2 LYS 89 -3.225 -7.657 -30.053 760 HB3 LYS 89 HB1 LYS 89 -2.667 -6.082 -29.498 761 HG2 LYS 89 HG2 LYS 89 -0.481 -6.423 -30.502 762 HG3 LYS 89 HG1 LYS 89 -0.869 -8.102 -30.886 763 HD2 LYS 89 HD2 LYS 89 -2.731 -7.226 -32.387 764 HD3 LYS 89 HD1 LYS 89 -2.071 -5.605 -32.134 765 HE2 LYS 89 HE2 LYS 89 -0.533 -7.944 -33.303 766 HE3 LYS 89 HE1 LYS 89 -1.292 -6.667 -34.252 767 HZ1 LYS 89 HZ1 LYS 89 1.062 -6.293 -33.935 768 HZ2 LYS 89 HZ2 LYS 89 0.867 -6.271 -32.256 769 HZ3 LYS 89 HZ3 LYS 89 0.152 -5.069 -33.210 770 H SER 90 HN SER 90 0.502 -8.302 -27.919 771 HA SER 90 HA SER 90 0.636 -10.894 -29.195 772 HB2 SER 90 HB2 SER 90 2.718 -9.308 -27.631 773 HB3 SER 90 HB1 SER 90 3.029 -10.694 -28.677 774 HG SER 90 HG SER 90 2.968 -8.170 -29.361 775 H VAL 91 HN VAL 91 -0.093 -9.591 -26.174 776 HA VAL 91 HA VAL 91 0.651 -11.973 -24.614 777 HB VAL 91 HB VAL 91 -0.388 -9.344 -23.479 778 HG11 VAL 91 HG11 VAL 91 1.486 -11.455 -22.372 779 HG12 VAL 91 HG12 VAL 91 -0.217 -11.252 -21.956 780 HG13 VAL 91 HG13 VAL 91 0.950 -10.004 -21.518 781 HG21 VAL 91 HG21 VAL 91 1.488 -8.735 -24.985 782 HG22 VAL 91 HG22 VAL 91 2.523 -9.878 -24.132 783 HG23 VAL 91 HG23 VAL 91 1.888 -8.472 -23.286 784 H ARG 92 HN ARG 92 -2.036 -10.110 -25.833 785 HA ARG 92 HA ARG 92 -4.283 -10.319 -25.852 786 HB2 ARG 92 HB2 ARG 92 -4.295 -12.729 -25.651 787 HB3 ARG 92 HB1 ARG 92 -3.797 -12.648 -23.974 788 HG2 ARG 92 HG2 ARG 92 -6.249 -11.291 -23.970 789 HG3 ARG 92 HG1 ARG 92 -6.496 -12.593 -25.127 790 HD2 ARG 92 HD2 ARG 92 -7.185 -13.382 -22.953 791 HD3 ARG 92 HD1 ARG 92 -5.681 -14.215 -23.358 792 HE ARG 92 HE ARG 92 -6.058 -12.089 -21.345 793 HH11 ARG 92 HH11 ARG 92 -3.860 -14.420 -22.775 794 HH12 ARG 92 HH12 ARG 92 -2.678 -14.242 -21.524 795 HH21 ARG 92 HH21 ARG 92 -4.480 -11.887 -19.717 796 HH22 ARG 92 HH22 ARG 92 -3.023 -12.824 -19.813 797 H GLY 93 HN GLY 93 -2.864 -10.682 -22.586 798 HA2 GLY 93 HA2 GLY 93 -3.990 -8.094 -21.788 799 HA3 GLY 93 HA1 GLY 93 -4.496 -9.499 -20.855 800 H LEU 94 HN LEU 94 -1.656 -7.404 -21.696 801 HA LEU 94 HA LEU 94 0.103 -8.643 -19.838 802 HB2 LEU 94 HB2 LEU 94 0.807 -7.765 -21.969 803 HB3 LEU 94 HB1 LEU 94 0.014 -6.229 -21.702 804 HG LEU 94 HG LEU 94 1.788 -5.667 -20.023 805 HD11 LEU 94 HD11 LEU 94 3.147 -8.194 -20.971 806 HD12 LEU 94 HD12 LEU 94 2.414 -7.953 -19.384 807 HD13 LEU 94 HD13 LEU 94 3.801 -6.981 -19.861 808 HD21 LEU 94 HD21 LEU 94 3.612 -5.312 -21.684 809 HD22 LEU 94 HD22 LEU 94 2.031 -4.856 -22.303 810 HD23 LEU 94 HD23 LEU 94 2.764 -6.377 -22.815 811 H VAL 95 HN VAL 95 1.224 -7.106 -18.362 812 HA VAL 95 HA VAL 95 -0.521 -5.265 -16.803 813 HB VAL 95 HB VAL 95 1.703 -7.015 -15.595 814 HG11 VAL 95 HG11 VAL 95 -0.275 -5.135 -14.230 815 HG12 VAL 95 HG12 VAL 95 1.453 -4.851 -14.439 816 HG13 VAL 95 HG13 VAL 95 0.899 -6.165 -13.405 817 HG21 VAL 95 HG21 VAL 95 -0.084 -8.257 -14.418 818 HG22 VAL 95 HG22 VAL 95 -0.242 -8.411 -16.168 819 HG23 VAL 95 HG23 VAL 95 -1.312 -7.322 -15.279 820 H VAL 96 HN VAL 96 0.524 -3.235 -16.494 821 HA VAL 96 HA VAL 96 3.327 -2.908 -17.331 822 HB VAL 96 HB VAL 96 1.101 -1.156 -18.507 823 HG11 VAL 96 HG11 VAL 96 2.897 -0.040 -19.806 824 HG12 VAL 96 HG12 VAL 96 4.111 -1.026 -18.979 825 HG13 VAL 96 HG13 VAL 96 3.157 0.149 -18.068 826 HG21 VAL 96 HG21 VAL 96 2.928 -3.134 -19.928 827 HG22 VAL 96 HG22 VAL 96 1.762 -2.060 -20.711 828 HG23 VAL 96 HG23 VAL 96 1.197 -3.344 -19.640 829 H VAL 97 HN VAL 97 4.379 -1.423 -16.034 830 HA VAL 97 HA VAL 97 2.861 0.103 -14.009 831 HB VAL 97 HB VAL 97 5.420 -1.471 -13.423 832 HG11 VAL 97 HG11 VAL 97 5.098 0.481 -11.963 833 HG12 VAL 97 HG12 VAL 97 4.906 -1.010 -11.042 834 HG13 VAL 97 HG13 VAL 97 3.482 -0.084 -11.524 835 HG21 VAL 97 HG21 VAL 97 4.066 -3.111 -12.148 836 HG22 VAL 97 HG22 VAL 97 3.611 -3.107 -13.850 837 HG23 VAL 97 HG23 VAL 97 2.584 -2.301 -12.663 838 H HIS 98 HN HIS 98 3.640 2.212 -13.837 839 HA HIS 98 HA HIS 98 5.800 2.997 -15.684 840 HB2 HIS 98 HB2 HIS 98 3.500 4.089 -15.723 841 HB3 HIS 98 HB1 HIS 98 3.853 4.764 -14.139 842 HD2 HIS 98 HD2 HIS 98 4.818 5.251 -17.869 843 HE1 HIS 98 HE1 HIS 98 6.556 8.366 -15.635 844 HE2 HIS 98 HE2 HIS 98 6.270 7.382 -17.938 845 HA PRO 99 HA PRO 99 8.828 3.717 -12.353 846 HB2 PRO 99 HB2 PRO 99 10.104 5.996 -13.400 847 HB3 PRO 99 HB1 PRO 99 10.477 4.326 -13.831 848 HG2 PRO 99 HG2 PRO 99 8.693 6.284 -15.260 849 HG3 PRO 99 HG1 PRO 99 9.905 5.173 -15.936 850 HD2 PRO 99 HD2 PRO 99 7.315 4.559 -16.054 851 HD3 PRO 99 HD1 PRO 99 8.501 3.293 -15.672 852 H MET 100 HN MET 100 7.172 6.658 -13.582 853 HA MET 100 HA MET 100 7.757 8.108 -11.115 854 HB2 MET 100 HB2 MET 100 6.279 9.081 -13.585 855 HB3 MET 100 HB1 MET 100 6.824 10.083 -12.241 856 HG2 MET 100 HG2 MET 100 9.182 9.356 -12.798 857 HG3 MET 100 HG1 MET 100 8.537 8.633 -14.271 858 HE1 MET 100 HE1 MET 100 7.284 10.109 -16.206 859 HE2 MET 100 HE2 MET 100 7.108 11.861 -16.116 860 HE3 MET 100 HE3 MET 100 6.204 10.827 -15.008 861 H THR 101 HN THR 101 5.233 6.127 -12.127 862 HA THR 101 HA THR 101 3.260 7.245 -10.283 863 HB THR 101 HB THR 101 1.990 5.133 -10.643 864 HG1 THR 101 HG1 THR 101 4.366 4.191 -11.441 865 HG21 THR 101 HG21 THR 101 1.524 5.392 -13.060 866 HG22 THR 101 HG22 THR 101 2.976 6.380 -13.231 867 HG23 THR 101 HG23 THR 101 1.628 6.955 -12.244 868 H ALA 102 HN ALA 102 2.658 6.236 -8.289 869 HA ALA 102 HA ALA 102 4.773 6.004 -6.536 870 HB1 ALA 102 HB1 ALA 102 3.131 5.427 -4.825 871 HB2 ALA 102 HB2 ALA 102 1.942 5.027 -6.069 872 HB3 ALA 102 HB3 ALA 102 2.502 6.690 -5.885 873 H LEU 103 HN LEU 103 3.082 3.435 -8.106 874 HA LEU 103 HA LEU 103 3.730 1.244 -6.307 875 HB2 LEU 103 HB2 LEU 103 1.831 1.054 -7.940 876 HB3 LEU 103 HB1 LEU 103 2.996 0.985 -9.251 877 HG LEU 103 HG LEU 103 3.906 -1.151 -8.337 878 HD11 LEU 103 HD11 LEU 103 1.691 -0.959 -6.259 879 HD12 LEU 103 HD12 LEU 103 3.424 -0.807 -5.946 880 HD13 LEU 103 HD13 LEU 103 2.763 -2.340 -6.509 881 HD21 LEU 103 HD21 LEU 103 2.136 -1.292 -10.034 882 HD22 LEU 103 HD22 LEU 103 0.896 -1.237 -8.778 883 HD23 LEU 103 HD23 LEU 103 1.991 -2.619 -8.879 884 H GLY 104 HN GLY 104 5.111 2.292 -9.513 885 HA2 GLY 104 HA2 GLY 104 7.438 0.688 -9.407 886 HA3 GLY 104 HA1 GLY 104 7.223 2.133 -10.379 887 H ARG 105 HN ARG 105 6.950 4.028 -8.581 888 HA ARG 105 HA ARG 105 9.403 4.864 -7.595 889 HB2 ARG 105 HB2 ARG 105 6.685 5.557 -6.429 890 HB3 ARG 105 HB1 ARG 105 8.175 6.299 -5.858 891 HG2 ARG 105 HG2 ARG 105 8.566 7.129 -8.209 892 HG3 ARG 105 HG1 ARG 105 6.946 6.551 -8.617 893 HD2 ARG 105 HD2 ARG 105 5.960 8.047 -6.946 894 HD3 ARG 105 HD1 ARG 105 7.561 8.571 -6.424 895 HE ARG 105 HE ARG 105 6.079 9.463 -8.723 896 HH11 ARG 105 HH11 ARG 105 9.336 9.196 -7.399 897 HH12 ARG 105 HH12 ARG 105 9.939 10.537 -8.320 898 HH21 ARG 105 HH21 ARG 105 6.906 11.220 -9.921 899 HH22 ARG 105 HH22 ARG 105 8.570 11.676 -9.744 900 H GLU 106 HN GLU 106 7.122 2.681 -5.949 901 HA GLU 106 HA GLU 106 8.693 2.481 -3.528 902 HB2 GLU 106 HB2 GLU 106 6.263 2.426 -3.364 903 HB3 GLU 106 HB1 GLU 106 6.160 1.132 -4.546 904 HG2 GLU 106 HG2 GLU 106 5.736 0.280 -2.309 905 HG3 GLU 106 HG1 GLU 106 7.210 -0.426 -2.966 906 H MET 107 HN MET 107 8.100 0.522 -6.483 907 HA MET 107 HA MET 107 9.011 -1.955 -5.214 908 HB2 MET 107 HB2 MET 107 7.735 -1.320 -7.897 909 HB3 MET 107 HB1 MET 107 8.576 -2.844 -7.667 910 HG2 MET 107 HG2 MET 107 7.010 -3.512 -5.938 911 HG3 MET 107 HG1 MET 107 6.221 -1.942 -5.980 912 HE1 MET 107 HE1 MET 107 5.957 -4.982 -9.484 913 HE2 MET 107 HE2 MET 107 6.832 -5.323 -7.992 914 HE3 MET 107 HE3 MET 107 7.443 -4.105 -9.116 915 H GLY 108 HN GLY 108 10.294 0.741 -6.792 916 HA2 GLY 108 HA2 GLY 108 12.666 1.063 -6.680 917 HA3 GLY 108 HA1 GLY 108 12.905 -0.611 -7.160 918 H LEU 109 HN LEU 109 10.451 0.401 -9.067 919 HA LEU 109 HA LEU 109 12.068 0.114 -11.389 920 HB2 LEU 109 HB2 LEU 109 9.165 1.006 -11.324 921 HB3 LEU 109 HB1 LEU 109 9.996 0.143 -12.611 922 HG LEU 109 HG LEU 109 9.251 -0.995 -9.879 923 HD11 LEU 109 HD11 LEU 109 7.298 -0.737 -11.315 924 HD12 LEU 109 HD12 LEU 109 7.696 -2.442 -11.126 925 HD13 LEU 109 HD13 LEU 109 8.110 -1.602 -12.622 926 HD21 LEU 109 HD21 LEU 109 10.045 -3.170 -10.697 927 HD22 LEU 109 HD22 LEU 109 11.360 -1.998 -10.669 928 HD23 LEU 109 HD23 LEU 109 10.596 -2.425 -12.203 929 H GLU 110 HN GLU 110 13.225 1.691 -12.346 930 HA GLU 110 HA GLU 110 12.213 4.490 -12.458 931 HB2 GLU 110 HB2 GLU 110 14.525 5.203 -12.777 932 HB3 GLU 110 HB1 GLU 110 14.396 4.244 -11.305 933 HG2 GLU 110 HG2 GLU 110 15.269 2.265 -12.565 934 HG3 GLU 110 HG1 GLU 110 15.484 3.299 -13.975 935 H GLU 111 HN GLU 111 11.975 1.862 -14.107 936 HA GLU 111 HA GLU 111 11.899 3.196 -16.739 937 HB2 GLU 111 HB2 GLU 111 12.795 1.204 -17.867 938 HB3 GLU 111 HB1 GLU 111 13.966 1.845 -16.727 939 HG2 GLU 111 HG2 GLU 111 12.211 -0.585 -16.214 940 HG3 GLU 111 HG1 GLU 111 13.869 -0.650 -16.793 941 H MET 112 HN MET 112 10.176 2.452 -18.102 942 HA MET 112 HA MET 112 7.843 1.573 -16.761 943 HB2 MET 112 HB2 MET 112 7.521 2.917 -18.739 944 HB3 MET 112 HB1 MET 112 8.495 1.823 -19.718 945 HG2 MET 112 HG2 MET 112 6.798 0.162 -19.756 946 HG3 MET 112 HG1 MET 112 5.915 0.914 -18.436 947 HE1 MET 112 HE1 MET 112 5.310 3.778 -18.959 948 HE2 MET 112 HE2 MET 112 4.066 2.554 -18.686 949 HE3 MET 112 HE3 MET 112 3.910 3.697 -20.028 950 H THR 113 HN THR 113 7.339 -0.292 -16.264 951 HA THR 113 HA THR 113 8.784 -2.692 -17.265 952 HB THR 113 HB THR 113 7.318 -2.479 -14.598 953 HG1 THR 113 HG1 THR 113 9.285 -1.011 -15.112 954 HG21 THR 113 HG21 THR 113 8.803 -4.353 -13.952 955 HG22 THR 113 HG22 THR 113 9.491 -4.377 -15.576 956 HG23 THR 113 HG23 THR 113 7.793 -4.795 -15.329 957 H GLY 114 HN GLY 114 7.578 -4.498 -18.156 958 HA2 GLY 114 HA2 GLY 114 4.744 -4.655 -17.333 959 HA3 GLY 114 HA1 GLY 114 5.354 -5.148 -18.906 960 H PHE 115 HN PHE 115 3.869 -7.021 -17.715 961 HA PHE 115 HA PHE 115 5.590 -9.156 -16.863 962 HB2 PHE 115 HB2 PHE 115 3.441 -8.140 -14.926 963 HB3 PHE 115 HB1 PHE 115 4.420 -9.577 -14.713 964 HD1 PHE 115 HD2 PHE 115 6.922 -9.289 -14.276 965 HD2 PHE 115 HD1 PHE 115 4.150 -6.040 -14.102 966 HE1 PHE 115 HE2 PHE 115 8.495 -8.019 -12.879 967 HE2 PHE 115 HE1 PHE 115 5.730 -4.774 -12.693 968 HZ PHE 115 HZ PHE 115 7.901 -5.770 -12.073 969 H SER 116 HN SER 116 4.408 -11.010 -17.956 970 HA SER 116 HA SER 116 1.674 -11.273 -16.960 971 HB2 SER 116 HB2 SER 116 1.733 -10.246 -19.278 972 HB3 SER 116 HB1 SER 116 2.475 -11.728 -19.861 973 HG SER 116 HG SER 116 -0.103 -11.215 -19.514 974 H LYS 117 HN LYS 117 0.742 -13.384 -17.646 975 HA LYS 117 HA LYS 117 2.433 -15.695 -17.153 976 HB2 LYS 117 HB2 LYS 117 -0.539 -15.292 -17.639 977 HB3 LYS 117 HB1 LYS 117 0.174 -16.882 -17.416 978 HG2 LYS 117 HG2 LYS 117 0.419 -14.669 -15.345 979 HG3 LYS 117 HG1 LYS 117 -0.931 -15.799 -15.364 980 HD2 LYS 117 HD2 LYS 117 2.009 -16.539 -15.057 981 HD3 LYS 117 HD1 LYS 117 0.812 -16.506 -13.759 982 HE2 LYS 117 HE2 LYS 117 -0.471 -18.290 -14.957 983 HE3 LYS 117 HE1 LYS 117 0.802 -18.350 -16.179 984 HZ1 LYS 117 HZ1 LYS 117 1.146 -18.963 -13.290 985 HZ2 LYS 117 HZ2 LYS 117 2.365 -19.029 -14.463 986 HZ3 LYS 117 HZ3 LYS 117 1.056 -20.097 -14.540 987 H THR 118 HN THR 118 1.511 -13.867 -19.823 988 HA THR 118 HA THR 118 1.637 -16.123 -21.736 989 HB THR 118 HB THR 118 0.327 -13.515 -22.540 990 HG1 THR 118 HG1 THR 118 -0.664 -15.235 -20.534 991 HG21 THR 118 HG21 THR 118 0.462 -15.453 -24.106 992 HG22 THR 118 HG22 THR 118 -1.209 -15.024 -23.728 993 HG23 THR 118 HG23 THR 118 -0.457 -16.424 -22.953 994 H THR 119 HN THR 119 2.795 -15.712 -23.720 995 HA THR 119 HA THR 119 5.288 -14.420 -23.128 996 HB THR 119 HB THR 119 5.208 -16.623 -24.244 997 HG1 THR 119 HG1 THR 119 7.005 -15.122 -24.555 998 HG21 THR 119 HG21 THR 119 3.243 -16.282 -25.726 999 HG22 THR 119 HG22 THR 119 4.649 -16.848 -26.625 1000 HG23 THR 119 HG23 THR 119 4.180 -15.150 -26.703 1001 H PHE 120 HN PHE 120 6.356 -12.817 -24.253 1002 HA PHE 120 HA PHE 120 5.354 -11.471 -26.560 1003 HB2 PHE 120 HB2 PHE 120 5.214 -9.179 -25.522 1004 HB3 PHE 120 HB1 PHE 120 3.937 -10.272 -25.034 1005 HD1 PHE 120 HD1 PHE 120 4.520 -11.614 -22.710 1006 HD2 PHE 120 HD2 PHE 120 6.102 -7.811 -23.839 1007 HE1 PHE 120 HE1 PHE 120 4.981 -11.104 -20.354 1008 HE2 PHE 120 HE2 PHE 120 6.566 -7.313 -21.482 1009 HZ PHE 120 HZ PHE 120 6.014 -8.959 -19.736 Start of MODEL 14 1 H MET 1 HT1 MET 1 -14.448 -14.521 -1.329 2 HA MET 1 HA MET 1 -12.313 -13.389 -1.485 3 HB2 MET 1 HB2 MET 1 -14.664 -11.537 -2.090 4 HB3 MET 1 HB1 MET 1 -13.089 -11.520 -2.877 5 HG2 MET 1 HG2 MET 1 -15.182 -13.699 -3.092 6 HG3 MET 1 HG1 MET 1 -14.766 -12.511 -4.327 7 HE1 MET 1 HE1 MET 1 -14.922 -15.639 -4.881 8 HE2 MET 1 HE2 MET 1 -13.462 -15.907 -5.833 9 HE3 MET 1 HE3 MET 1 -14.459 -14.485 -6.136 10 H LYS 2 HN LYS 2 -10.901 -12.227 -0.276 11 HA LYS 2 HA LYS 2 -11.856 -10.412 1.845 12 HB2 LYS 2 HB2 LYS 2 -9.164 -11.757 1.352 13 HB3 LYS 2 HB1 LYS 2 -9.366 -10.482 2.543 14 HG2 LYS 2 HG2 LYS 2 -9.433 -12.577 3.699 15 HG3 LYS 2 HG1 LYS 2 -11.055 -11.885 3.728 16 HD2 LYS 2 HD2 LYS 2 -11.721 -13.409 1.880 17 HD3 LYS 2 HD1 LYS 2 -10.099 -14.106 1.883 18 HE2 LYS 2 HE2 LYS 2 -10.445 -14.902 4.196 19 HE3 LYS 2 HE1 LYS 2 -12.057 -14.177 4.208 20 HZ1 LYS 2 HZ1 LYS 2 -11.157 -16.324 2.371 21 HZ2 LYS 2 HZ2 LYS 2 -12.709 -15.660 2.436 22 HZ3 LYS 2 HZ3 LYS 2 -12.118 -16.552 3.742 23 H GLU 3 HN GLU 3 -11.848 -8.285 1.441 24 HA GLU 3 HA GLU 3 -9.803 -6.801 0.166 25 HB2 GLU 3 HB2 GLU 3 -11.128 -8.058 -1.799 26 HB3 GLU 3 HB1 GLU 3 -12.337 -6.820 -1.530 27 HG2 GLU 3 HG2 GLU 3 -9.463 -6.402 -2.414 28 HG3 GLU 3 HG1 GLU 3 -10.905 -6.265 -3.415 29 H VAL 4 HN VAL 4 -10.325 -6.013 2.370 30 HA VAL 4 HA VAL 4 -12.485 -3.978 2.424 31 HB VAL 4 HB VAL 4 -11.910 -5.774 4.830 32 HG11 VAL 4 HG11 VAL 4 -12.879 -3.593 5.394 33 HG12 VAL 4 HG12 VAL 4 -14.029 -4.882 5.729 34 HG13 VAL 4 HG13 VAL 4 -14.231 -3.874 4.294 35 HG21 VAL 4 HG21 VAL 4 -14.215 -6.118 2.870 36 HG22 VAL 4 HG22 VAL 4 -14.025 -6.983 4.398 37 HG23 VAL 4 HG23 VAL 4 -12.860 -7.228 3.098 38 H GLU 5 HN GLU 5 -9.128 -4.669 2.981 39 HA GLU 5 HA GLU 5 -8.855 -3.919 5.641 40 HB2 GLU 5 HB2 GLU 5 -6.801 -4.346 3.441 41 HB3 GLU 5 HB1 GLU 5 -6.418 -4.224 5.149 42 HG2 GLU 5 HG2 GLU 5 -6.347 -6.535 4.467 43 HG3 GLU 5 HG1 GLU 5 -7.688 -6.300 5.584 44 H LYS 6 HN LYS 6 -8.783 -1.895 2.788 45 HA LYS 6 HA LYS 6 -7.201 0.230 3.649 46 HB2 LYS 6 HB2 LYS 6 -9.862 0.399 2.192 47 HB3 LYS 6 HB1 LYS 6 -8.914 1.826 2.571 48 HG2 LYS 6 HG2 LYS 6 -8.067 1.491 0.486 49 HG3 LYS 6 HG1 LYS 6 -6.982 0.396 1.336 50 HD2 LYS 6 HD2 LYS 6 -7.821 -0.694 -0.663 51 HD3 LYS 6 HD1 LYS 6 -8.495 -1.505 0.755 52 HE2 LYS 6 HE2 LYS 6 -10.629 -0.406 0.456 53 HE3 LYS 6 HE1 LYS 6 -9.981 0.636 -0.812 54 HZ1 LYS 6 HZ1 LYS 6 -11.254 -1.148 -1.760 55 HZ2 LYS 6 HZ2 LYS 6 -10.323 -2.302 -0.961 56 HZ3 LYS 6 HZ3 LYS 6 -9.626 -1.353 -2.168 57 H ASN 7 HN ASN 7 -10.269 -0.785 5.070 58 HA ASN 7 HA ASN 7 -10.701 1.543 6.711 59 HB2 ASN 7 HB2 ASN 7 -11.694 -1.326 7.064 60 HB3 ASN 7 HB1 ASN 7 -12.320 0.092 7.906 61 HD21 ASN 7 HD21 ASN 7 -13.632 -1.848 6.102 62 HD22 ASN 7 HD22 ASN 7 -14.358 -0.898 4.852 63 H GLU 8 HN GLU 8 -9.270 -1.637 7.147 64 HA GLU 8 HA GLU 8 -8.435 -1.508 9.841 65 HB2 GLU 8 HB2 GLU 8 -7.432 -3.080 7.452 66 HB3 GLU 8 HB1 GLU 8 -6.600 -3.209 8.992 67 HG2 GLU 8 HG2 GLU 8 -8.241 -5.038 8.508 68 HG3 GLU 8 HG1 GLU 8 -8.469 -4.214 10.047 69 H ILE 9 HN ILE 9 -6.419 -0.795 6.901 70 HA ILE 9 HA ILE 9 -4.179 0.156 8.193 71 HB ILE 9 HB ILE 9 -5.260 0.873 5.430 72 HG12 ILE 9 HG12 ILE 9 -4.885 -1.570 5.739 73 HG13 ILE 9 HG11 ILE 9 -3.740 -0.905 4.586 74 HG21 ILE 9 HG21 ILE 9 -2.927 1.503 4.828 75 HG22 ILE 9 HG22 ILE 9 -2.443 1.279 6.512 76 HG23 ILE 9 HG23 ILE 9 -3.596 2.542 6.088 77 HD11 ILE 9 HD11 ILE 9 -2.667 -2.524 6.043 78 HD12 ILE 9 HD12 ILE 9 -3.153 -1.615 7.470 79 HD13 ILE 9 HD13 ILE 9 -1.989 -0.923 6.335 80 H LYS 10 HN LYS 10 -7.067 1.962 7.087 81 HA LYS 10 HA LYS 10 -6.131 4.562 7.713 82 HB2 LYS 10 HB2 LYS 10 -8.095 4.167 6.273 83 HB3 LYS 10 HB1 LYS 10 -8.993 3.511 7.634 84 HG2 LYS 10 HG2 LYS 10 -9.728 5.782 7.160 85 HG3 LYS 10 HG1 LYS 10 -8.948 5.714 8.742 86 HD2 LYS 10 HD2 LYS 10 -6.878 6.671 7.775 87 HD3 LYS 10 HD1 LYS 10 -7.639 6.724 6.180 88 HE2 LYS 10 HE2 LYS 10 -8.511 8.274 8.645 89 HE3 LYS 10 HE1 LYS 10 -7.691 8.937 7.233 90 HZ1 LYS 10 HZ1 LYS 10 -10.414 7.758 7.298 91 HZ2 LYS 10 HZ2 LYS 10 -9.631 8.285 5.897 92 HZ3 LYS 10 HZ3 LYS 10 -10.024 9.392 7.111 93 H ARG 11 HN ARG 11 -8.118 2.382 9.539 94 HA ARG 11 HA ARG 11 -8.354 3.503 12.032 95 HB2 ARG 11 HB2 ARG 11 -9.283 1.318 11.486 96 HB3 ARG 11 HB1 ARG 11 -7.678 0.600 11.489 97 HG2 ARG 11 HG2 ARG 11 -7.484 1.083 13.922 98 HG3 ARG 11 HG1 ARG 11 -9.127 1.751 13.895 99 HD2 ARG 11 HD2 ARG 11 -8.285 -1.121 13.369 100 HD3 ARG 11 HD1 ARG 11 -9.293 -0.514 14.686 101 HE ARG 11 HE ARG 11 -10.945 0.106 12.902 102 HH11 ARG 11 HH11 ARG 11 -8.749 -2.592 12.416 103 HH12 ARG 11 HH12 ARG 11 -9.776 -3.354 11.243 104 HH21 ARG 11 HH21 ARG 11 -12.235 -0.889 11.330 105 HH22 ARG 11 HH22 ARG 11 -11.738 -2.400 10.636 106 H LEU 12 HN LEU 12 -5.519 1.392 11.221 107 HA LEU 12 HA LEU 12 -4.182 1.992 13.660 108 HB2 LEU 12 HB2 LEU 12 -2.243 0.746 12.736 109 HB3 LEU 12 HB1 LEU 12 -3.762 -0.115 12.644 110 HG LEU 12 HG LEU 12 -3.756 0.863 10.139 111 HD11 LEU 12 HD11 LEU 12 -1.696 2.154 10.311 112 HD12 LEU 12 HD12 LEU 12 -1.532 0.871 9.117 113 HD13 LEU 12 HD13 LEU 12 -0.783 0.693 10.705 114 HD21 LEU 12 HD21 LEU 12 -2.168 -1.599 10.930 115 HD22 LEU 12 HD22 LEU 12 -2.853 -1.255 9.338 116 HD23 LEU 12 HD23 LEU 12 -3.921 -1.508 10.714 117 H SER 13 HN SER 13 -3.560 3.300 10.356 118 HA SER 13 HA SER 13 -1.584 5.117 11.000 119 HB2 SER 13 HB2 SER 13 -2.384 6.492 9.091 120 HB3 SER 13 HB1 SER 13 -2.343 4.776 8.685 121 HG SER 13 HG SER 13 -4.529 4.687 8.852 122 H ASP 14 HN ASP 14 -5.177 5.797 11.164 123 HA ASP 14 HA ASP 14 -5.124 8.216 12.479 124 HB2 ASP 14 HB2 ASP 14 -7.129 6.995 11.504 125 HB3 ASP 14 HB1 ASP 14 -7.146 5.976 12.927 126 H ARG 15 HN ARG 15 -4.376 5.091 13.729 127 HA ARG 15 HA ARG 15 -4.785 5.630 16.550 128 HB2 ARG 15 HB2 ARG 15 -4.698 3.277 15.746 129 HB3 ARG 15 HB1 ARG 15 -3.022 3.498 15.247 130 HG2 ARG 15 HG2 ARG 15 -3.188 2.269 17.382 131 HG3 ARG 15 HG1 ARG 15 -2.287 3.779 17.531 132 HD2 ARG 15 HD2 ARG 15 -4.358 4.863 18.428 133 HD3 ARG 15 HD1 ARG 15 -5.146 3.279 18.394 134 HE ARG 15 HE ARG 15 -2.698 3.151 19.827 135 HH11 ARG 15 HH11 ARG 15 -5.997 4.312 20.181 136 HH12 ARG 15 HH12 ARG 15 -5.977 4.168 21.910 137 HH21 ARG 15 HH21 ARG 15 -2.692 2.986 22.083 138 HH22 ARG 15 HH22 ARG 15 -4.112 3.415 22.985 139 H LEU 16 HN LEU 16 -1.891 5.409 14.454 140 HA LEU 16 HA LEU 16 -0.055 6.360 16.380 141 HB2 LEU 16 HB2 LEU 16 0.327 4.990 14.178 142 HB3 LEU 16 HB1 LEU 16 0.340 6.545 13.370 143 HG LEU 16 HG LEU 16 2.623 5.562 13.867 144 HD11 LEU 16 HD11 LEU 16 2.423 7.959 13.430 145 HD12 LEU 16 HD12 LEU 16 3.707 7.618 14.587 146 HD13 LEU 16 HD13 LEU 16 2.164 8.266 15.149 147 HD21 LEU 16 HD21 LEU 16 3.537 5.639 16.131 148 HD22 LEU 16 HD22 LEU 16 2.145 4.562 16.052 149 HD23 LEU 16 HD23 LEU 16 1.976 6.166 16.767 150 H ASP 17 HN ASP 17 -1.945 8.073 13.753 151 HA ASP 17 HA ASP 17 -0.851 10.572 14.025 152 HB2 ASP 17 HB2 ASP 17 -2.389 9.885 12.211 153 HB3 ASP 17 HB1 ASP 17 -3.726 9.822 13.358 154 H ALA 18 HN ALA 18 -3.915 9.481 15.617 155 HA ALA 18 HA ALA 18 -4.251 11.239 17.596 156 HB1 ALA 18 HB1 ALA 18 -5.622 9.219 17.322 157 HB2 ALA 18 HB2 ALA 18 -5.182 9.484 19.008 158 HB3 ALA 18 HB3 ALA 18 -4.345 8.250 18.059 159 H ILE 19 HN ILE 19 -1.676 8.775 17.648 160 HA ILE 19 HA ILE 19 -0.788 9.237 20.338 161 HB ILE 19 HB ILE 19 0.687 7.980 17.981 162 HG12 ILE 19 HG12 ILE 19 -1.342 6.735 18.869 163 HG13 ILE 19 HG11 ILE 19 0.158 5.830 18.945 164 HG21 ILE 19 HG21 ILE 19 1.573 8.078 20.892 165 HG22 ILE 19 HG22 ILE 19 2.373 8.840 19.517 166 HG23 ILE 19 HG23 ILE 19 2.322 7.083 19.637 167 HD11 ILE 19 HD11 ILE 19 -1.232 5.507 20.920 168 HD12 ILE 19 HD12 ILE 19 -1.143 7.233 21.282 169 HD13 ILE 19 HD13 ILE 19 0.319 6.238 21.329 170 H ARG 20 HN ARG 20 0.552 10.393 17.148 171 HA ARG 20 HA ARG 20 2.550 11.986 18.277 172 HB2 ARG 20 HB2 ARG 20 2.709 13.105 16.031 173 HB3 ARG 20 HB1 ARG 20 2.786 11.348 15.967 174 HG2 ARG 20 HG2 ARG 20 0.583 11.174 15.096 175 HG3 ARG 20 HG1 ARG 20 0.213 12.850 15.480 176 HD2 ARG 20 HD2 ARG 20 2.309 12.073 13.431 177 HD3 ARG 20 HD1 ARG 20 0.607 12.317 13.022 178 HE ARG 20 HE ARG 20 2.349 14.406 14.198 179 HH11 ARG 20 HH11 ARG 20 -0.278 13.501 12.031 180 HH12 ARG 20 HH12 ARG 20 -0.492 15.117 11.441 181 HH21 ARG 20 HH21 ARG 20 2.016 16.514 13.419 182 HH22 ARG 20 HH22 ARG 20 0.797 16.808 12.221 183 H HIS 21 HN HIS 21 -0.849 13.054 17.203 184 HA HIS 21 HA HIS 21 -0.534 15.703 17.693 185 HB2 HIS 21 HB2 HIS 21 -2.384 14.388 16.479 186 HB3 HIS 21 HB1 HIS 21 -3.055 14.031 18.054 187 HD1 HIS 21 HD1 HIS 21 -4.431 15.834 19.194 188 HD2 HIS 21 HD2 HIS 21 -2.601 17.156 15.704 189 HE1 HIS 21 HE1 HIS 21 -5.450 18.074 18.707 190 HE2 HIS 21 HE2 HIS 21 -4.199 18.927 16.694 191 H GLN 22 HN GLN 22 -1.773 13.162 19.766 192 HA GLN 22 HA GLN 22 -2.476 14.812 21.969 193 HB2 GLN 22 HB2 GLN 22 -2.892 12.893 23.261 194 HB3 GLN 22 HB1 GLN 22 -3.198 12.363 21.615 195 HG2 GLN 22 HG2 GLN 22 -0.935 11.325 21.578 196 HG3 GLN 22 HG1 GLN 22 -0.743 11.760 23.273 197 HE21 GLN 22 HE21 GLN 22 -2.371 9.690 21.027 198 HE22 GLN 22 HE22 GLN 22 -2.997 8.577 22.187 199 H GLN 23 HN GLN 23 0.570 13.237 21.042 200 HA GLN 23 HA GLN 23 2.001 14.079 23.415 201 HB2 GLN 23 HB2 GLN 23 2.871 12.854 20.792 202 HB3 GLN 23 HB1 GLN 23 4.024 13.327 22.050 203 HG2 GLN 23 HG2 GLN 23 2.758 11.832 23.627 204 HG3 GLN 23 HG1 GLN 23 1.849 11.242 22.231 205 HE21 GLN 23 HE21 GLN 23 4.909 11.225 23.860 206 HE22 GLN 23 HE22 GLN 23 5.650 10.025 22.873 207 H ALA 24 HN ALA 24 1.402 15.506 20.224 208 HA ALA 24 HA ALA 24 3.312 17.518 20.306 209 HB1 ALA 24 HB1 ALA 24 1.795 18.826 18.881 210 HB2 ALA 24 HB2 ALA 24 0.466 17.732 19.267 211 HB3 ALA 24 HB3 ALA 24 1.854 17.141 18.352 212 H ASP 25 HN ASP 25 -0.151 17.693 21.567 213 HA ASP 25 HA ASP 25 0.264 20.006 23.073 214 HB2 ASP 25 HB2 ASP 25 -1.752 17.737 23.394 215 HB3 ASP 25 HB1 ASP 25 -1.885 19.308 24.179 216 H LEU 26 HN LEU 26 0.951 16.624 23.820 217 HA LEU 26 HA LEU 26 1.438 17.275 26.657 218 HB2 LEU 26 HB2 LEU 26 1.693 14.609 25.222 219 HB3 LEU 26 HB1 LEU 26 1.954 14.857 26.944 220 HG LEU 26 HG LEU 26 -0.670 15.111 25.437 221 HD11 LEU 26 HD11 LEU 26 -0.059 12.824 25.932 222 HD12 LEU 26 HD12 LEU 26 -1.451 13.318 26.887 223 HD13 LEU 26 HD13 LEU 26 0.142 13.215 27.642 224 HD21 LEU 26 HD21 LEU 26 -0.599 16.919 27.052 225 HD22 LEU 26 HD22 LEU 26 -0.159 15.795 28.343 226 HD23 LEU 26 HD23 LEU 26 -1.744 15.684 27.574 227 H SER 27 HN SER 27 3.219 18.444 26.827 228 HA SER 27 HA SER 27 5.578 17.951 25.239 229 HB2 SER 27 HB2 SER 27 4.993 20.270 25.826 230 HB3 SER 27 HB1 SER 27 5.062 19.884 27.544 231 HG SER 27 HG SER 27 7.055 20.583 25.861 232 H LEU 28 HN LEU 28 7.621 17.502 26.098 233 HA LEU 28 HA LEU 28 7.985 15.513 28.033 234 HB2 LEU 28 HB2 LEU 28 9.520 15.941 26.200 235 HB3 LEU 28 HB1 LEU 28 9.879 17.546 26.797 236 HG LEU 28 HG LEU 28 10.556 15.280 28.649 237 HD11 LEU 28 HD11 LEU 28 11.270 14.312 26.527 238 HD12 LEU 28 HD12 LEU 28 12.662 14.747 27.515 239 HD13 LEU 28 HD13 LEU 28 12.197 15.766 26.149 240 HD21 LEU 28 HD21 LEU 28 11.059 17.599 29.270 241 HD22 LEU 28 HD22 LEU 28 12.089 17.776 27.847 242 HD23 LEU 28 HD23 LEU 28 12.533 16.642 29.128 243 H VAL 29 HN VAL 29 7.902 19.020 28.284 244 HA VAL 29 HA VAL 29 9.025 19.223 30.933 245 HB VAL 29 HB VAL 29 7.352 21.294 29.427 246 HG11 VAL 29 HG11 VAL 29 7.556 21.800 31.837 247 HG12 VAL 29 HG12 VAL 29 8.454 22.971 30.873 248 HG13 VAL 29 HG13 VAL 29 9.315 21.688 31.728 249 HG21 VAL 29 HG21 VAL 29 9.286 20.627 28.070 250 HG22 VAL 29 HG22 VAL 29 10.379 20.942 29.419 251 HG23 VAL 29 HG23 VAL 29 9.493 22.274 28.668 252 H GLU 30 HN GLU 30 5.682 19.409 29.612 253 HA GLU 30 HA GLU 30 4.579 20.003 32.246 254 HB2 GLU 30 HB2 GLU 30 2.462 20.369 31.127 255 HB3 GLU 30 HB1 GLU 30 3.734 21.163 30.203 256 HG2 GLU 30 HG2 GLU 30 3.748 19.131 28.682 257 HG3 GLU 30 HG1 GLU 30 2.309 18.573 29.531 258 H ALA 31 HN ALA 31 4.831 17.226 30.157 259 HA ALA 31 HA ALA 31 3.417 15.526 32.100 260 HB1 ALA 31 HB1 ALA 31 1.709 16.173 30.411 261 HB2 ALA 31 HB2 ALA 31 2.087 14.454 30.314 262 HB3 ALA 31 HB3 ALA 31 2.750 15.569 29.119 263 H ALA 32 HN ALA 32 5.848 15.347 32.357 264 HA ALA 32 HA ALA 32 7.629 14.310 30.494 265 HB1 ALA 32 HB1 ALA 32 7.666 13.922 33.504 266 HB2 ALA 32 HB2 ALA 32 8.331 15.306 32.631 267 HB3 ALA 32 HB3 ALA 32 9.043 13.706 32.421 268 H ASP 33 HN ASP 33 5.744 12.569 32.919 269 HA ASP 33 HA ASP 33 6.547 9.946 32.223 270 HB2 ASP 33 HB2 ASP 33 5.571 10.467 34.434 271 HB3 ASP 33 HB1 ASP 33 4.026 10.850 33.684 272 H LYS 34 HN LYS 34 3.300 11.439 31.712 273 HA LYS 34 HA LYS 34 2.132 9.595 30.088 274 HB2 LYS 34 HB2 LYS 34 1.457 12.131 31.002 275 HB3 LYS 34 HB1 LYS 34 1.537 12.410 29.275 276 HG2 LYS 34 HG2 LYS 34 -0.254 10.424 30.717 277 HG3 LYS 34 HG1 LYS 34 -0.749 11.928 29.937 278 HD2 LYS 34 HD2 LYS 34 0.029 10.948 27.749 279 HD3 LYS 34 HD1 LYS 34 0.314 9.423 28.586 280 HE2 LYS 34 HE2 LYS 34 -2.095 9.307 29.162 281 HE3 LYS 34 HE1 LYS 34 -2.366 10.834 28.321 282 HZ1 LYS 34 HZ1 LYS 34 -1.669 9.803 26.268 283 HZ2 LYS 34 HZ2 LYS 34 -2.944 8.929 26.947 284 HZ3 LYS 34 HZ3 LYS 34 -1.364 8.340 27.060 285 H TYR 35 HN TYR 35 4.349 12.141 29.077 286 HA TYR 35 HA TYR 35 4.119 11.750 26.242 287 HB2 TYR 35 HB2 TYR 35 4.919 13.897 27.139 288 HB3 TYR 35 HB1 TYR 35 6.316 13.106 27.859 289 HD1 TYR 35 HD1 TYR 35 4.685 13.670 24.528 290 HD2 TYR 35 HD2 TYR 35 8.362 13.059 26.616 291 HE1 TYR 35 HE1 TYR 35 5.928 14.061 22.459 292 HE2 TYR 35 HE2 TYR 35 9.607 13.477 24.536 293 HH TYR 35 HH TYR 35 9.168 13.311 22.079 294 H ALA 36 HN ALA 36 6.411 10.690 28.744 295 HA ALA 36 HA ALA 36 8.301 9.375 27.117 296 HB1 ALA 36 HB1 ALA 36 8.751 10.003 29.454 297 HB2 ALA 36 HB2 ALA 36 9.064 8.286 29.192 298 HB3 ALA 36 HB3 ALA 36 7.585 8.805 30.011 299 H GLU 37 HN GLU 37 5.535 8.066 28.897 300 HA GLU 37 HA GLU 37 5.633 5.414 28.117 301 HB2 GLU 37 HB2 GLU 37 3.199 7.103 28.823 302 HB3 GLU 37 HB1 GLU 37 3.202 5.340 28.740 303 HG2 GLU 37 HG2 GLU 37 4.794 7.060 30.668 304 HG3 GLU 37 HG1 GLU 37 3.358 6.120 31.046 305 H LEU 38 HN LEU 38 3.437 7.862 26.830 306 HA LEU 38 HA LEU 38 2.551 6.622 24.543 307 HB2 LEU 38 HB2 LEU 38 3.191 9.534 24.927 308 HB3 LEU 38 HB1 LEU 38 2.388 8.929 23.485 309 HG LEU 38 HG LEU 38 1.284 8.630 26.298 310 HD11 LEU 38 HD11 LEU 38 1.370 10.978 25.681 311 HD12 LEU 38 HD12 LEU 38 -0.299 10.412 25.658 312 HD13 LEU 38 HD13 LEU 38 0.576 10.638 24.141 313 HD21 LEU 38 HD21 LEU 38 -0.050 8.111 23.604 314 HD22 LEU 38 HD22 LEU 38 -0.805 7.960 25.194 315 HD23 LEU 38 HD23 LEU 38 0.500 6.869 24.737 316 H GLU 39 HN GLU 39 5.705 8.323 24.740 317 HA GLU 39 HA GLU 39 6.657 7.804 22.150 318 HB2 GLU 39 HB2 GLU 39 8.078 8.094 24.818 319 HB3 GLU 39 HB1 GLU 39 8.990 7.761 23.346 320 HG2 GLU 39 HG2 GLU 39 7.237 10.183 23.861 321 HG3 GLU 39 HG1 GLU 39 8.998 10.144 23.906 322 H LYS 40 HN LYS 40 6.829 5.848 24.985 323 HA LYS 40 HA LYS 40 8.124 3.497 23.924 324 HB2 LYS 40 HB2 LYS 40 6.096 3.511 26.198 325 HB3 LYS 40 HB1 LYS 40 7.210 2.196 25.825 326 HG2 LYS 40 HG2 LYS 40 9.122 3.684 26.334 327 HG3 LYS 40 HG1 LYS 40 7.992 4.984 26.719 328 HD2 LYS 40 HD2 LYS 40 7.016 3.537 28.525 329 HD3 LYS 40 HD1 LYS 40 8.267 2.336 28.194 330 HE2 LYS 40 HE2 LYS 40 8.858 3.719 30.129 331 HE3 LYS 40 HE1 LYS 40 10.001 3.994 28.812 332 HZ1 LYS 40 HZ1 LYS 40 8.821 6.020 28.266 333 HZ2 LYS 40 HZ2 LYS 40 9.314 6.045 29.885 334 HZ3 LYS 40 HZ3 LYS 40 7.699 5.729 29.502 335 H GLU 41 HN GLU 41 4.663 4.038 24.486 336 HA GLU 41 HA GLU 41 3.434 1.925 23.236 337 HB2 GLU 41 HB2 GLU 41 2.475 4.826 23.230 338 HB3 GLU 41 HB1 GLU 41 1.464 3.404 22.992 339 HG2 GLU 41 HG2 GLU 41 2.953 4.124 25.531 340 HG3 GLU 41 HG1 GLU 41 1.230 4.362 25.252 341 H LYS 42 HN LYS 42 4.544 4.915 21.913 342 HA LYS 42 HA LYS 42 3.728 4.582 19.185 343 HB2 LYS 42 HB2 LYS 42 4.370 6.810 20.084 344 HB3 LYS 42 HB1 LYS 42 6.038 6.266 20.250 345 HG2 LYS 42 HG2 LYS 42 6.074 5.893 17.739 346 HG3 LYS 42 HG1 LYS 42 4.479 6.656 17.671 347 HD2 LYS 42 HD2 LYS 42 7.011 7.964 18.738 348 HD3 LYS 42 HD1 LYS 42 6.329 8.241 17.131 349 HE2 LYS 42 HE2 LYS 42 4.370 9.264 18.062 350 HE3 LYS 42 HE1 LYS 42 4.812 8.781 19.699 351 HZ1 LYS 42 HZ1 LYS 42 6.754 10.241 19.527 352 HZ2 LYS 42 HZ2 LYS 42 5.298 11.074 19.366 353 HZ3 LYS 42 HZ3 LYS 42 6.230 10.749 18.001 354 H ALA 43 HN ALA 43 6.911 4.286 20.708 355 HA ALA 43 HA ALA 43 8.469 3.273 18.691 356 HB1 ALA 43 HB1 ALA 43 9.360 3.982 20.869 357 HB2 ALA 43 HB2 ALA 43 9.986 2.399 20.402 358 HB3 ALA 43 HB3 ALA 43 8.709 2.522 21.616 359 H THR 44 HN THR 44 6.475 1.432 20.854 360 HA THR 44 HA THR 44 6.955 -1.189 19.837 361 HB THR 44 HB THR 44 4.576 -0.174 21.469 362 HG1 THR 44 HG1 THR 44 7.053 -0.176 22.168 363 HG21 THR 44 HG21 THR 44 4.341 -2.493 22.253 364 HG22 THR 44 HG22 THR 44 5.659 -3.000 21.196 365 HG23 THR 44 HG23 THR 44 4.149 -2.411 20.501 366 H LEU 45 HN LEU 45 4.197 1.057 19.436 367 HA LEU 45 HA LEU 45 2.762 -0.247 17.482 368 HB2 LEU 45 HB2 LEU 45 3.147 2.700 17.960 369 HB3 LEU 45 HB1 LEU 45 2.386 2.207 16.458 370 HG LEU 45 HG LEU 45 1.322 1.551 19.229 371 HD11 LEU 45 HD11 LEU 45 -0.476 3.131 18.727 372 HD12 LEU 45 HD12 LEU 45 0.294 3.539 17.192 373 HD13 LEU 45 HD13 LEU 45 1.094 3.936 18.716 374 HD21 LEU 45 HD21 LEU 45 -0.674 0.715 18.044 375 HD22 LEU 45 HD22 LEU 45 0.761 -0.218 17.633 376 HD23 LEU 45 HD23 LEU 45 0.133 0.977 16.494 377 H GLU 46 HN GLU 46 5.539 1.898 16.874 378 HA GLU 46 HA GLU 46 5.687 1.669 14.128 379 HB2 GLU 46 HB2 GLU 46 7.934 2.202 16.107 380 HB3 GLU 46 HB1 GLU 46 8.016 2.503 14.369 381 HG2 GLU 46 HG2 GLU 46 6.230 4.178 14.561 382 HG3 GLU 46 HG1 GLU 46 6.073 3.844 16.276 383 H ALA 47 HN ALA 47 8.135 0.195 16.312 384 HA ALA 47 HA ALA 47 9.243 -1.820 15.177 385 HB1 ALA 47 HB1 ALA 47 9.359 -1.449 17.605 386 HB2 ALA 47 HB2 ALA 47 9.155 -3.162 17.235 387 HB3 ALA 47 HB3 ALA 47 7.779 -2.213 17.808 388 H GLU 48 HN GLU 48 5.951 -2.327 16.370 389 HA GLU 48 HA GLU 48 5.390 -4.851 15.309 390 HB2 GLU 48 HB2 GLU 48 4.087 -3.772 17.125 391 HB3 GLU 48 HB1 GLU 48 3.555 -2.518 16.020 392 HG2 GLU 48 HG2 GLU 48 1.692 -3.876 16.190 393 HG3 GLU 48 HG1 GLU 48 2.430 -4.411 14.685 394 H ILE 49 HN ILE 49 3.955 -1.840 14.249 395 HA ILE 49 HA ILE 49 2.686 -2.804 11.990 396 HB ILE 49 HB ILE 49 2.342 -0.535 11.133 397 HG12 ILE 49 HG12 ILE 49 4.395 0.337 13.215 398 HG13 ILE 49 HG11 ILE 49 4.534 0.513 11.473 399 HG21 ILE 49 HG21 ILE 49 0.922 -1.335 12.971 400 HG22 ILE 49 HG22 ILE 49 1.158 0.409 13.075 401 HG23 ILE 49 HG23 ILE 49 2.052 -0.665 14.153 402 HD11 ILE 49 HD11 ILE 49 4.050 2.631 12.514 403 HD12 ILE 49 HD12 ILE 49 2.608 1.969 13.279 404 HD13 ILE 49 HD13 ILE 49 2.678 2.138 11.521 405 H ALA 50 HN ALA 50 5.920 -1.184 11.952 406 HA ALA 50 HA ALA 50 6.496 -1.599 9.248 407 HB1 ALA 50 HB1 ALA 50 7.604 0.063 10.675 408 HB2 ALA 50 HB2 ALA 50 8.779 -0.978 9.872 409 HB3 ALA 50 HB3 ALA 50 8.397 -1.230 11.578 410 H ARG 51 HN ARG 51 7.449 -3.513 12.049 411 HA ARG 51 HA ARG 51 8.797 -5.679 10.873 412 HB2 ARG 51 HB2 ARG 51 8.312 -5.488 13.365 413 HB3 ARG 51 HB1 ARG 51 6.719 -6.151 13.044 414 HG2 ARG 51 HG2 ARG 51 8.117 -7.936 13.848 415 HG3 ARG 51 HG1 ARG 51 7.820 -8.221 12.130 416 HD2 ARG 51 HD2 ARG 51 10.033 -7.283 11.585 417 HD3 ARG 51 HD1 ARG 51 10.327 -6.973 13.303 418 HE ARG 51 HE ARG 51 9.724 -9.687 13.025 419 HH11 ARG 51 HH11 ARG 51 12.306 -7.498 12.045 420 HH12 ARG 51 HH12 ARG 51 13.510 -8.747 12.018 421 HH21 ARG 51 HH21 ARG 51 11.313 -11.306 12.926 422 HH22 ARG 51 HH22 ARG 51 12.944 -10.890 12.507 423 H LEU 52 HN LEU 52 5.342 -5.522 11.388 424 HA LEU 52 HA LEU 52 4.432 -7.691 9.888 425 HB2 LEU 52 HB2 LEU 52 2.977 -5.043 10.287 426 HB3 LEU 52 HB1 LEU 52 2.231 -6.568 9.827 427 HG LEU 52 HG LEU 52 3.488 -5.885 12.508 428 HD11 LEU 52 HD11 LEU 52 1.233 -6.224 13.417 429 HD12 LEU 52 HD12 LEU 52 0.617 -6.528 11.792 430 HD13 LEU 52 HD13 LEU 52 1.262 -4.940 12.210 431 HD21 LEU 52 HD21 LEU 52 2.387 -8.574 11.614 432 HD22 LEU 52 HD22 LEU 52 2.849 -8.150 13.265 433 HD23 LEU 52 HD23 LEU 52 4.073 -8.196 11.998 434 H ARG 53 HN ARG 53 5.256 -4.416 8.898 435 HA ARG 53 HA ARG 53 4.381 -4.692 6.173 436 HB2 ARG 53 HB2 ARG 53 5.941 -2.589 7.678 437 HB3 ARG 53 HB1 ARG 53 5.863 -2.535 5.923 438 HG2 ARG 53 HG2 ARG 53 3.468 -2.261 5.950 439 HG3 ARG 53 HG1 ARG 53 3.391 -2.534 7.695 440 HD2 ARG 53 HD2 ARG 53 3.257 -0.106 6.964 441 HD3 ARG 53 HD1 ARG 53 4.512 -0.462 8.158 442 HE ARG 53 HE ARG 53 5.085 -0.238 5.253 443 HH11 ARG 53 HH11 ARG 53 5.840 0.747 8.546 444 HH12 ARG 53 HH12 ARG 53 7.294 1.572 8.086 445 HH21 ARG 53 HH21 ARG 53 6.994 0.838 4.685 446 HH22 ARG 53 HH22 ARG 53 7.944 1.627 5.901 447 H GLU 54 HN GLU 54 7.471 -5.318 7.857 448 HA GLU 54 HA GLU 54 8.933 -5.556 5.347 449 HB2 GLU 54 HB2 GLU 54 10.894 -6.054 6.577 450 HB3 GLU 54 HB1 GLU 54 10.054 -4.834 7.526 451 HG2 GLU 54 HG2 GLU 54 9.284 -6.529 9.090 452 HG3 GLU 54 HG1 GLU 54 9.984 -7.809 8.106 453 H VAL 55 HN VAL 55 7.109 -7.504 7.415 454 HA VAL 55 HA VAL 55 7.695 -10.094 6.243 455 HB VAL 55 HB VAL 55 4.980 -9.249 7.401 456 HG11 VAL 55 HG11 VAL 55 4.574 -11.688 7.659 457 HG12 VAL 55 HG12 VAL 55 6.122 -12.028 6.879 458 HG13 VAL 55 HG13 VAL 55 4.827 -11.249 5.969 459 HG21 VAL 55 HG21 VAL 55 5.684 -10.372 9.490 460 HG22 VAL 55 HG22 VAL 55 6.737 -9.018 9.106 461 HG23 VAL 55 HG23 VAL 55 7.283 -10.662 8.803 462 H HIS 56 HN HIS 56 5.043 -7.639 5.655 463 HA HIS 56 HA HIS 56 4.513 -8.658 3.048 464 HB2 HIS 56 HB2 HIS 56 3.538 -6.202 4.565 465 HB3 HIS 56 HB1 HIS 56 2.942 -6.680 2.978 466 HD1 HIS 56 HD1 HIS 56 0.670 -7.634 3.313 467 HD2 HIS 56 HD2 HIS 56 3.287 -8.858 6.293 468 HE1 HIS 56 HE1 HIS 56 -0.657 -9.165 4.792 469 HE2 HIS 56 HE2 HIS 56 0.883 -9.681 6.711 470 H SER 57 HN SER 57 7.326 -7.507 3.532 471 HA SER 57 HA SER 57 7.356 -5.896 1.038 472 HB2 SER 57 HB2 SER 57 9.151 -5.501 3.471 473 HB3 SER 57 HB1 SER 57 9.491 -4.802 1.887 474 HG SER 57 HG SER 57 6.977 -4.382 3.052 475 H GLN 58 HN GLN 58 9.369 -8.002 3.154 476 HA GLN 58 HA GLN 58 11.054 -9.084 1.166 477 HB2 GLN 58 HB2 GLN 58 9.944 -10.470 3.655 478 HB3 GLN 58 HB1 GLN 58 11.338 -11.015 2.725 479 HG2 GLN 58 HG2 GLN 58 12.632 -9.087 3.416 480 HG3 GLN 58 HG1 GLN 58 11.215 -8.351 4.169 481 HE21 GLN 58 HE21 GLN 58 12.030 -8.236 6.246 482 HE22 GLN 58 HE22 GLN 58 12.384 -9.626 7.210 483 H LYS 59 HN LYS 59 7.914 -10.088 2.424 484 HA LYS 59 HA LYS 59 7.272 -11.511 -0.089 485 HB2 LYS 59 HB2 LYS 59 6.004 -11.910 2.672 486 HB3 LYS 59 HB1 LYS 59 5.524 -12.735 1.203 487 HG2 LYS 59 HG2 LYS 59 6.768 -14.338 2.371 488 HG3 LYS 59 HG1 LYS 59 7.907 -13.721 1.172 489 HD2 LYS 59 HD2 LYS 59 8.940 -12.271 2.905 490 HD3 LYS 59 HD1 LYS 59 7.790 -12.876 4.100 491 HE2 LYS 59 HE2 LYS 59 9.963 -13.992 4.335 492 HE3 LYS 59 HE1 LYS 59 8.736 -15.154 3.830 493 HZ1 LYS 59 HZ1 LYS 59 10.713 -13.838 2.049 494 HZ2 LYS 59 HZ2 LYS 59 9.548 -14.961 1.567 495 HZ3 LYS 59 HZ3 LYS 59 10.790 -15.430 2.609 496 H LEU 60 HN LEU 60 6.845 -9.316 -0.930 497 HA LEU 60 HA LEU 60 5.109 -7.404 0.085 498 HB2 LEU 60 HB2 LEU 60 6.239 -7.983 -2.573 499 HB3 LEU 60 HB1 LEU 60 4.660 -7.241 -2.706 500 HG LEU 60 HG LEU 60 7.073 -6.038 -1.279 501 HD11 LEU 60 HD11 LEU 60 7.036 -4.335 -3.063 502 HD12 LEU 60 HD12 LEU 60 5.714 -5.194 -3.860 503 HD13 LEU 60 HD13 LEU 60 7.300 -5.953 -3.715 504 HD21 LEU 60 HD21 LEU 60 4.298 -4.855 -1.654 505 HD22 LEU 60 HD22 LEU 60 5.699 -4.013 -0.985 506 HD23 LEU 60 HD23 LEU 60 5.012 -5.387 -0.129 507 H SER 61 HN SER 61 2.984 -6.718 -1.158 508 HA SER 61 HA SER 61 0.928 -8.518 -0.484 509 HB2 SER 61 HB2 SER 61 0.721 -5.980 -0.682 510 HB3 SER 61 HB1 SER 61 0.668 -6.188 -2.434 511 HG SER 61 HG SER 61 -1.414 -6.310 -1.966 512 H LYS 62 HN LYS 62 -0.665 -9.439 -1.983 513 HA LYS 62 HA LYS 62 0.361 -11.589 -3.161 514 HB2 LYS 62 HB2 LYS 62 -1.944 -11.770 -4.417 515 HB3 LYS 62 HB1 LYS 62 -1.886 -11.772 -2.660 516 HG2 LYS 62 HG2 LYS 62 -2.426 -9.315 -2.697 517 HG3 LYS 62 HG1 LYS 62 -2.641 -9.432 -4.443 518 HD2 LYS 62 HD2 LYS 62 -4.817 -9.536 -3.336 519 HD3 LYS 62 HD1 LYS 62 -4.471 -11.092 -4.092 520 HE2 LYS 62 HE2 LYS 62 -3.835 -12.027 -1.911 521 HE3 LYS 62 HE1 LYS 62 -4.090 -10.458 -1.146 522 HZ1 LYS 62 HZ1 LYS 62 -6.430 -10.603 -1.771 523 HZ2 LYS 62 HZ2 LYS 62 -5.956 -11.886 -0.783 524 HZ3 LYS 62 HZ3 LYS 62 -6.164 -12.136 -2.441 525 H GLU 63 HN GLU 63 -1.165 -9.304 -5.494 526 HA GLU 63 HA GLU 63 -0.328 -10.199 -7.887 527 HB2 GLU 63 HB2 GLU 63 -0.765 -7.374 -6.896 528 HB3 GLU 63 HB1 GLU 63 -0.258 -7.633 -8.553 529 HG2 GLU 63 HG2 GLU 63 -2.616 -7.360 -8.511 530 HG3 GLU 63 HG1 GLU 63 -2.264 -9.028 -8.937 531 H ALA 64 HN ALA 64 1.525 -7.791 -5.983 532 HA ALA 64 HA ALA 64 3.554 -7.395 -7.886 533 HB1 ALA 64 HB1 ALA 64 3.092 -5.767 -6.103 534 HB2 ALA 64 HB2 ALA 64 4.784 -6.256 -6.062 535 HB3 ALA 64 HB3 ALA 64 3.650 -6.914 -4.881 536 H GLN 65 HN GLN 65 3.504 -9.273 -4.893 537 HA GLN 65 HA GLN 65 5.985 -10.525 -4.827 538 HB2 GLN 65 HB2 GLN 65 3.324 -11.097 -3.730 539 HB3 GLN 65 HB1 GLN 65 4.074 -12.603 -4.217 540 HG2 GLN 65 HG2 GLN 65 5.197 -10.595 -2.256 541 HG3 GLN 65 HG1 GLN 65 4.481 -12.156 -1.870 542 HE21 GLN 65 HE21 GLN 65 7.306 -10.516 -3.061 543 HE22 GLN 65 HE22 GLN 65 8.357 -11.882 -3.036 544 H LYS 66 HN LYS 66 3.073 -11.762 -6.604 545 HA LYS 66 HA LYS 66 4.335 -13.769 -8.062 546 HB2 LYS 66 HB2 LYS 66 1.920 -13.661 -7.753 547 HB3 LYS 66 HB1 LYS 66 1.823 -12.179 -8.703 548 HG2 LYS 66 HG2 LYS 66 2.372 -13.332 -10.735 549 HG3 LYS 66 HG1 LYS 66 2.852 -14.788 -9.863 550 HD2 LYS 66 HD2 LYS 66 0.434 -14.989 -9.092 551 HD3 LYS 66 HD1 LYS 66 0.044 -13.682 -10.214 552 HE2 LYS 66 HE2 LYS 66 0.800 -15.048 -12.102 553 HE3 LYS 66 HE1 LYS 66 1.310 -16.332 -11.003 554 HZ1 LYS 66 HZ1 LYS 66 -1.461 -15.398 -11.476 555 HZ2 LYS 66 HZ2 LYS 66 -1.015 -16.510 -10.282 556 HZ3 LYS 66 HZ3 LYS 66 -0.790 -16.890 -11.912 557 H LEU 67 HN LEU 67 3.561 -10.386 -9.252 558 HA LEU 67 HA LEU 67 4.665 -10.364 -11.661 559 HB2 LEU 67 HB2 LEU 67 5.023 -8.194 -9.548 560 HB3 LEU 67 HB1 LEU 67 5.351 -7.969 -11.257 561 HG LEU 67 HG LEU 67 2.612 -8.482 -10.019 562 HD11 LEU 67 HD11 LEU 67 3.461 -6.191 -9.591 563 HD12 LEU 67 HD12 LEU 67 2.077 -6.178 -10.682 564 HD13 LEU 67 HD13 LEU 67 3.708 -5.959 -11.327 565 HD21 LEU 67 HD21 LEU 67 2.819 -9.500 -12.280 566 HD22 LEU 67 HD22 LEU 67 3.264 -7.914 -12.929 567 HD23 LEU 67 HD23 LEU 67 1.665 -8.168 -12.228 568 H MET 68 HN MET 68 6.572 -10.675 -8.594 569 HA MET 68 HA MET 68 8.984 -9.734 -9.890 570 HB2 MET 68 HB2 MET 68 8.391 -10.712 -7.053 571 HB3 MET 68 HB1 MET 68 9.967 -10.157 -7.614 572 HG2 MET 68 HG2 MET 68 8.855 -7.947 -8.149 573 HG3 MET 68 HG1 MET 68 7.445 -8.533 -7.284 574 HE1 MET 68 HE1 MET 68 7.855 -6.136 -5.914 575 HE2 MET 68 HE2 MET 68 9.401 -5.866 -6.719 576 HE3 MET 68 HE3 MET 68 9.308 -5.839 -4.959 577 H LYS 69 HN LYS 69 7.311 -12.732 -8.765 578 HA LYS 69 HA LYS 69 9.522 -14.375 -9.840 579 HB2 LYS 69 HB2 LYS 69 8.386 -16.252 -8.731 580 HB3 LYS 69 HB1 LYS 69 8.631 -14.925 -7.599 581 HG2 LYS 69 HG2 LYS 69 6.293 -14.287 -7.748 582 HG3 LYS 69 HG1 LYS 69 6.012 -15.450 -9.043 583 HD2 LYS 69 HD2 LYS 69 6.494 -17.301 -7.452 584 HD3 LYS 69 HD1 LYS 69 6.699 -16.116 -6.155 585 HE2 LYS 69 HE2 LYS 69 4.372 -15.435 -6.351 586 HE3 LYS 69 HE1 LYS 69 4.150 -16.452 -7.775 587 HZ1 LYS 69 HZ1 LYS 69 3.240 -17.465 -5.792 588 HZ2 LYS 69 HZ2 LYS 69 4.753 -17.425 -5.041 589 HZ3 LYS 69 HZ3 LYS 69 4.514 -18.392 -6.403 590 H MET 70 HN MET 70 7.424 -12.867 -11.594 591 HA MET 70 HA MET 70 5.705 -14.658 -12.901 592 HB2 MET 70 HB2 MET 70 6.949 -12.023 -13.634 593 HB3 MET 70 HB1 MET 70 6.274 -12.954 -14.962 594 HG2 MET 70 HG2 MET 70 4.734 -12.122 -12.496 595 HG3 MET 70 HG1 MET 70 4.711 -11.284 -14.044 596 HE1 MET 70 HE1 MET 70 1.198 -12.800 -14.422 597 HE2 MET 70 HE2 MET 70 2.235 -11.407 -14.773 598 HE3 MET 70 HE3 MET 70 1.916 -11.879 -13.097 599 HA PRO 71 HA PRO 71 8.510 -16.881 -15.727 600 HB2 PRO 71 HB2 PRO 71 6.785 -17.829 -17.592 601 HB3 PRO 71 HB1 PRO 71 6.825 -18.451 -15.937 602 HG2 PRO 71 HG2 PRO 71 4.885 -16.556 -17.207 603 HG3 PRO 71 HG1 PRO 71 4.594 -17.825 -16.000 604 HD2 PRO 71 HD2 PRO 71 4.871 -15.079 -15.454 605 HD3 PRO 71 HD1 PRO 71 4.999 -16.384 -14.257 606 H PHE 72 HN PHE 72 6.143 -15.141 -17.874 607 HA PHE 72 HA PHE 72 8.382 -14.648 -19.779 608 HB2 PHE 72 HB2 PHE 72 5.356 -14.518 -20.291 609 HB3 PHE 72 HB1 PHE 72 6.605 -14.220 -21.490 610 HD1 PHE 72 HD1 PHE 72 4.861 -16.822 -19.545 611 HD2 PHE 72 HD2 PHE 72 7.791 -16.072 -22.557 612 HE1 PHE 72 HE1 PHE 72 4.780 -19.185 -20.215 613 HE2 PHE 72 HE2 PHE 72 7.711 -18.437 -23.224 614 HZ PHE 72 HZ PHE 72 6.203 -19.998 -22.056 615 H GLN 73 HN GLN 73 9.182 -12.363 -19.446 616 HA GLN 73 HA GLN 73 7.321 -10.341 -18.868 617 HB2 GLN 73 HB2 GLN 73 7.746 -9.814 -16.604 618 HB3 GLN 73 HB1 GLN 73 7.492 -11.548 -16.579 619 HG2 GLN 73 HG2 GLN 73 10.224 -10.225 -16.542 620 HG3 GLN 73 HG1 GLN 73 9.342 -10.723 -15.101 621 HE21 GLN 73 HE21 GLN 73 9.193 -12.875 -14.615 622 HE22 GLN 73 HE22 GLN 73 10.135 -14.098 -15.384 623 H ARG 74 HN ARG 74 8.431 -8.377 -18.403 624 HA ARG 74 HA ARG 74 11.179 -7.754 -18.806 625 HB2 ARG 74 HB2 ARG 74 11.390 -7.186 -21.186 626 HB3 ARG 74 HB1 ARG 74 10.895 -8.873 -21.064 627 HG2 ARG 74 HG2 ARG 74 8.641 -8.354 -21.690 628 HG3 ARG 74 HG1 ARG 74 8.910 -6.626 -21.494 629 HD2 ARG 74 HD2 ARG 74 10.547 -6.781 -23.428 630 HD3 ARG 74 HD1 ARG 74 9.940 -8.424 -23.686 631 HE ARG 74 HE ARG 74 7.936 -6.324 -23.517 632 HH11 ARG 74 HH11 ARG 74 9.829 -8.351 -25.665 633 HH12 ARG 74 HH12 ARG 74 8.799 -8.054 -27.025 634 HH21 ARG 74 HH21 ARG 74 6.598 -5.993 -25.279 635 HH22 ARG 74 HH22 ARG 74 6.963 -6.729 -26.799 636 H ALA 75 HN ALA 75 11.440 -5.412 -19.900 637 HA ALA 75 HA ALA 75 9.499 -3.755 -18.520 638 HB1 ALA 75 HB1 ALA 75 12.094 -3.052 -19.943 639 HB2 ALA 75 HB2 ALA 75 11.904 -3.303 -18.207 640 HB3 ALA 75 HB3 ALA 75 11.099 -1.945 -18.991 641 H ILE 76 HN ILE 76 9.691 -1.530 -20.191 642 HA ILE 76 HA ILE 76 8.278 -2.390 -22.611 643 HB ILE 76 HB ILE 76 6.995 -0.255 -20.856 644 HG12 ILE 76 HG12 ILE 76 6.616 -2.487 -19.805 645 HG13 ILE 76 HG11 ILE 76 5.122 -1.827 -20.447 646 HG21 ILE 76 HG21 ILE 76 6.727 0.066 -23.286 647 HG22 ILE 76 HG22 ILE 76 5.193 -0.320 -22.518 648 HG23 ILE 76 HG23 ILE 76 6.048 -1.561 -23.437 649 HD11 ILE 76 HD11 ILE 76 5.267 -4.212 -20.852 650 HD12 ILE 76 HD12 ILE 76 6.789 -4.008 -21.718 651 HD13 ILE 76 HD13 ILE 76 5.298 -3.338 -22.385 652 H THR 77 HN THR 77 9.823 -1.718 -23.848 653 HA THR 77 HA THR 77 11.375 0.663 -23.526 654 HB THR 77 HB THR 77 12.270 0.048 -25.811 655 HG1 THR 77 HG1 THR 77 10.766 -2.338 -25.710 656 HG21 THR 77 HG21 THR 77 12.139 -2.268 -23.849 657 HG22 THR 77 HG22 THR 77 13.303 -0.940 -23.797 658 HG23 THR 77 HG23 THR 77 13.321 -2.079 -25.144 659 H LYS 78 HN LYS 78 11.421 2.447 -25.025 660 HA LYS 78 HA LYS 78 9.068 3.654 -25.896 661 HB2 LYS 78 HB2 LYS 78 11.852 3.936 -27.098 662 HB3 LYS 78 HB1 LYS 78 10.523 5.062 -27.360 663 HG2 LYS 78 HG2 LYS 78 10.542 5.688 -24.988 664 HG3 LYS 78 HG1 LYS 78 11.811 4.504 -24.664 665 HD2 LYS 78 HD2 LYS 78 12.066 6.965 -26.452 666 HD3 LYS 78 HD1 LYS 78 12.738 6.783 -24.828 667 HE2 LYS 78 HE2 LYS 78 14.211 4.993 -25.594 668 HE3 LYS 78 HE1 LYS 78 13.496 5.044 -27.205 669 HZ1 LYS 78 HZ1 LYS 78 15.032 7.225 -25.914 670 HZ2 LYS 78 HZ2 LYS 78 14.336 7.298 -27.452 671 HZ3 LYS 78 HZ3 LYS 78 15.591 6.207 -27.141 672 H LYS 79 HN LYS 79 10.964 1.278 -27.369 673 HA LYS 79 HA LYS 79 9.997 1.183 -30.040 674 HB2 LYS 79 HB2 LYS 79 11.082 -1.106 -28.346 675 HB3 LYS 79 HB1 LYS 79 10.692 -1.248 -30.053 676 HG2 LYS 79 HG2 LYS 79 13.050 -0.991 -29.911 677 HG3 LYS 79 HG1 LYS 79 12.409 0.530 -30.536 678 HD2 LYS 79 HD2 LYS 79 12.706 1.603 -28.370 679 HD3 LYS 79 HD1 LYS 79 13.156 0.068 -27.624 680 HE2 LYS 79 HE2 LYS 79 14.750 1.520 -29.769 681 HE3 LYS 79 HE1 LYS 79 15.140 1.469 -28.048 682 HZ1 LYS 79 HZ1 LYS 79 15.052 -0.863 -29.879 683 HZ2 LYS 79 HZ2 LYS 79 15.388 -0.927 -28.223 684 HZ3 LYS 79 HZ3 LYS 79 16.440 -0.120 -29.265 685 H GLU 80 HN GLU 80 8.898 -0.536 -27.082 686 HA GLU 80 HA GLU 80 6.624 -1.721 -28.456 687 HB2 GLU 80 HB2 GLU 80 7.661 -1.918 -25.610 688 HB3 GLU 80 HB1 GLU 80 6.174 -2.697 -26.144 689 HG2 GLU 80 HG2 GLU 80 8.942 -3.224 -27.261 690 HG3 GLU 80 HG1 GLU 80 8.062 -4.261 -26.139 691 H GLN 81 HN GLN 81 7.205 1.116 -26.414 692 HA GLN 81 HA GLN 81 4.495 1.817 -26.170 693 HB2 GLN 81 HB2 GLN 81 7.101 3.370 -25.994 694 HB3 GLN 81 HB1 GLN 81 5.536 4.141 -25.731 695 HG2 GLN 81 HG2 GLN 81 5.087 2.792 -23.802 696 HG3 GLN 81 HG1 GLN 81 6.443 1.720 -24.144 697 HE21 GLN 81 HE21 GLN 81 8.461 2.293 -23.453 698 HE22 GLN 81 HE22 GLN 81 8.807 3.682 -22.496 699 H ALA 82 HN ALA 82 6.861 2.518 -28.670 700 HA ALA 82 HA ALA 82 5.467 3.958 -30.471 701 HB1 ALA 82 HB1 ALA 82 7.177 1.588 -31.279 702 HB2 ALA 82 HB2 ALA 82 7.771 3.202 -30.889 703 HB3 ALA 82 HB3 ALA 82 6.739 2.961 -32.300 704 H ASP 83 HN ASP 83 4.982 0.489 -29.890 705 HA ASP 83 HA ASP 83 2.304 0.848 -31.034 706 HB2 ASP 83 HB2 ASP 83 4.034 -0.499 -32.613 707 HB3 ASP 83 HB1 ASP 83 3.563 -1.848 -31.580 708 H MET 84 HN MET 84 2.155 1.246 -28.735 709 HA MET 84 HA MET 84 2.131 -0.779 -26.795 710 HB2 MET 84 HB2 MET 84 1.408 2.027 -26.984 711 HB3 MET 84 HB1 MET 84 0.050 1.190 -26.255 712 HG2 MET 84 HG2 MET 84 2.898 1.102 -25.267 713 HG3 MET 84 HG1 MET 84 1.579 2.035 -24.555 714 HE1 MET 84 HE1 MET 84 3.590 -0.264 -23.372 715 HE2 MET 84 HE2 MET 84 2.525 -1.003 -22.174 716 HE3 MET 84 HE3 MET 84 2.580 0.755 -22.341 717 H GLY 85 HN GLY 85 -0.033 0.029 -29.345 718 HA2 GLY 85 HA2 GLY 85 -2.414 -1.124 -28.231 719 HA3 GLY 85 HA1 GLY 85 -2.171 -0.560 -29.882 720 H LYS 86 HN LYS 86 0.242 -2.273 -30.410 721 HA LYS 86 HA LYS 86 -1.166 -4.719 -31.078 722 HB2 LYS 86 HB2 LYS 86 0.251 -3.828 -32.816 723 HB3 LYS 86 HB1 LYS 86 1.550 -3.480 -31.703 724 HG2 LYS 86 HG2 LYS 86 0.790 -6.326 -32.330 725 HG3 LYS 86 HG1 LYS 86 1.810 -5.411 -33.431 726 HD2 LYS 86 HD2 LYS 86 2.409 -6.086 -30.535 727 HD3 LYS 86 HD1 LYS 86 3.188 -6.780 -31.954 728 HE2 LYS 86 HE2 LYS 86 4.206 -4.613 -32.476 729 HE3 LYS 86 HE1 LYS 86 3.335 -3.854 -31.140 730 HZ1 LYS 86 HZ1 LYS 86 4.568 -5.203 -29.586 731 HZ2 LYS 86 HZ2 LYS 86 5.647 -4.376 -30.589 732 HZ3 LYS 86 HZ3 LYS 86 5.344 -6.014 -30.845 733 H LEU 87 HN LEU 87 1.984 -3.858 -29.313 734 HA LEU 87 HA LEU 87 2.547 -5.676 -27.790 735 HB2 LEU 87 HB2 LEU 87 3.504 -3.512 -27.433 736 HB3 LEU 87 HB1 LEU 87 2.013 -2.899 -26.743 737 HG LEU 87 HG LEU 87 2.328 -4.409 -24.770 738 HD11 LEU 87 HD11 LEU 87 5.047 -5.030 -25.964 739 HD12 LEU 87 HD12 LEU 87 3.703 -6.167 -25.804 740 HD13 LEU 87 HD13 LEU 87 4.473 -5.505 -24.363 741 HD21 LEU 87 HD21 LEU 87 3.058 -2.077 -24.693 742 HD22 LEU 87 HD22 LEU 87 4.650 -2.540 -25.287 743 HD23 LEU 87 HD23 LEU 87 4.093 -3.109 -23.714 744 H LYS 88 HN LYS 88 -0.698 -4.181 -27.002 745 HA LYS 88 HA LYS 88 -0.623 -5.692 -24.482 746 HB2 LYS 88 HB2 LYS 88 -2.040 -3.169 -25.417 747 HB3 LYS 88 HB1 LYS 88 -2.778 -4.159 -24.155 748 HG2 LYS 88 HG2 LYS 88 -0.799 -3.899 -22.734 749 HG3 LYS 88 HG1 LYS 88 0.023 -2.987 -24.004 750 HD2 LYS 88 HD2 LYS 88 -1.454 -1.124 -23.766 751 HD3 LYS 88 HD1 LYS 88 -2.609 -2.057 -22.813 752 HE2 LYS 88 HE2 LYS 88 0.190 -1.374 -21.855 753 HE3 LYS 88 HE1 LYS 88 -1.247 -0.417 -21.488 754 HZ1 LYS 88 HZ1 LYS 88 -2.217 -2.340 -20.420 755 HZ2 LYS 88 HZ2 LYS 88 -0.737 -1.945 -19.710 756 HZ3 LYS 88 HZ3 LYS 88 -0.844 -3.265 -20.764 757 H LYS 89 HN LYS 89 -1.909 -5.387 -27.695 758 HA LYS 89 HA LYS 89 -4.409 -6.769 -27.371 759 HB2 LYS 89 HB2 LYS 89 -4.019 -5.150 -29.210 760 HB3 LYS 89 HB1 LYS 89 -2.739 -6.172 -29.853 761 HG2 LYS 89 HG2 LYS 89 -4.473 -7.959 -30.259 762 HG3 LYS 89 HG1 LYS 89 -5.698 -6.797 -29.765 763 HD2 LYS 89 HD2 LYS 89 -5.585 -6.855 -32.202 764 HD3 LYS 89 HD1 LYS 89 -5.015 -5.289 -31.623 765 HE2 LYS 89 HE2 LYS 89 -2.683 -5.997 -31.942 766 HE3 LYS 89 HE1 LYS 89 -3.221 -7.595 -32.471 767 HZ1 LYS 89 HZ1 LYS 89 -2.687 -6.194 -34.346 768 HZ2 LYS 89 HZ2 LYS 89 -3.783 -5.017 -33.828 769 HZ3 LYS 89 HZ3 LYS 89 -4.345 -6.527 -34.340 770 H SER 90 HN SER 90 -1.263 -7.635 -28.789 771 HA SER 90 HA SER 90 -1.553 -10.308 -29.461 772 HB2 SER 90 HB2 SER 90 0.297 -8.838 -30.182 773 HB3 SER 90 HB1 SER 90 0.918 -8.782 -28.536 774 HG SER 90 HG SER 90 1.974 -10.543 -28.975 775 H VAL 91 HN VAL 91 -2.002 -9.280 -26.371 776 HA VAL 91 HA VAL 91 -1.215 -11.839 -25.178 777 HB VAL 91 HB VAL 91 -1.221 -9.404 -23.403 778 HG11 VAL 91 HG11 VAL 91 -0.715 -11.610 -22.472 779 HG12 VAL 91 HG12 VAL 91 0.662 -10.522 -22.309 780 HG13 VAL 91 HG13 VAL 91 0.670 -11.772 -23.559 781 HG21 VAL 91 HG21 VAL 91 -0.032 -8.480 -25.311 782 HG22 VAL 91 HG22 VAL 91 1.065 -9.861 -25.339 783 HG23 VAL 91 HG23 VAL 91 1.086 -8.747 -23.968 784 H ARG 92 HN ARG 92 -3.613 -9.524 -25.797 785 HA ARG 92 HA ARG 92 -5.705 -9.004 -25.157 786 HB2 ARG 92 HB2 ARG 92 -5.941 -11.587 -25.461 787 HB3 ARG 92 HB1 ARG 92 -5.900 -11.681 -23.704 788 HG2 ARG 92 HG2 ARG 92 -7.890 -9.945 -23.820 789 HG3 ARG 92 HG1 ARG 92 -8.031 -10.465 -25.501 790 HD2 ARG 92 HD2 ARG 92 -9.590 -11.728 -24.141 791 HD3 ARG 92 HD1 ARG 92 -8.311 -12.818 -24.691 792 HE ARG 92 HE ARG 92 -7.270 -12.298 -22.392 793 HH11 ARG 92 HH11 ARG 92 -10.731 -12.577 -22.923 794 HH12 ARG 92 HH12 ARG 92 -11.053 -13.055 -21.289 795 HH21 ARG 92 HH21 ARG 92 -7.714 -12.879 -20.265 796 HH22 ARG 92 HH22 ARG 92 -9.344 -13.218 -19.778 797 H GLY 93 HN GLY 93 -3.503 -8.205 -23.544 798 HA2 GLY 93 HA2 GLY 93 -3.695 -6.840 -21.512 799 HA3 GLY 93 HA1 GLY 93 -4.578 -8.170 -20.767 800 H LEU 94 HN LEU 94 -2.050 -6.946 -19.807 801 HA LEU 94 HA LEU 94 -0.272 -8.963 -19.300 802 HB2 LEU 94 HB2 LEU 94 1.515 -8.644 -20.795 803 HB3 LEU 94 HB1 LEU 94 0.208 -8.280 -21.891 804 HG LEU 94 HG LEU 94 0.711 -5.746 -20.997 805 HD11 LEU 94 HD11 LEU 94 2.528 -6.353 -19.491 806 HD12 LEU 94 HD12 LEU 94 3.141 -5.356 -20.807 807 HD13 LEU 94 HD13 LEU 94 3.419 -7.100 -20.819 808 HD21 LEU 94 HD21 LEU 94 2.269 -7.087 -23.224 809 HD22 LEU 94 HD22 LEU 94 2.019 -5.349 -23.027 810 HD23 LEU 94 HD23 LEU 94 0.646 -6.403 -23.353 811 H VAL 95 HN VAL 95 1.705 -7.209 -18.136 812 HA VAL 95 HA VAL 95 -0.161 -5.475 -16.642 813 HB VAL 95 HB VAL 95 2.131 -7.149 -15.435 814 HG11 VAL 95 HG11 VAL 95 1.387 -6.237 -13.247 815 HG12 VAL 95 HG12 VAL 95 0.203 -5.220 -14.068 816 HG13 VAL 95 HG13 VAL 95 1.927 -4.954 -14.332 817 HG21 VAL 95 HG21 VAL 95 0.354 -8.374 -14.207 818 HG22 VAL 95 HG22 VAL 95 0.158 -8.542 -15.954 819 HG23 VAL 95 HG23 VAL 95 -0.884 -7.439 -15.053 820 H VAL 96 HN VAL 96 0.650 -3.429 -16.660 821 HA VAL 96 HA VAL 96 3.453 -2.890 -17.482 822 HB VAL 96 HB VAL 96 1.049 -1.379 -18.650 823 HG11 VAL 96 HG11 VAL 96 4.028 -0.821 -19.012 824 HG12 VAL 96 HG12 VAL 96 2.853 0.215 -18.195 825 HG13 VAL 96 HG13 VAL 96 2.736 -0.042 -19.938 826 HG21 VAL 96 HG21 VAL 96 1.875 -2.147 -20.869 827 HG22 VAL 96 HG22 VAL 96 1.419 -3.501 -19.824 828 HG23 VAL 96 HG23 VAL 96 3.124 -3.107 -20.057 829 H VAL 97 HN VAL 97 4.408 -1.349 -16.081 830 HA VAL 97 HA VAL 97 2.706 -0.031 -14.080 831 HB VAL 97 HB VAL 97 5.279 -1.547 -13.403 832 HG11 VAL 97 HG11 VAL 97 4.802 0.322 -11.887 833 HG12 VAL 97 HG12 VAL 97 4.609 -1.213 -11.042 834 HG13 VAL 97 HG13 VAL 97 3.184 -0.314 -11.569 835 HG21 VAL 97 HG21 VAL 97 2.436 -2.522 -12.845 836 HG22 VAL 97 HG22 VAL 97 3.922 -3.310 -12.306 837 HG23 VAL 97 HG23 VAL 97 3.550 -3.215 -14.025 838 H HIS 98 HN HIS 98 3.321 2.141 -14.068 839 HA HIS 98 HA HIS 98 5.477 3.008 -15.827 840 HB2 HIS 98 HB2 HIS 98 3.187 4.025 -15.871 841 HB3 HIS 98 HB1 HIS 98 3.379 4.530 -14.203 842 HD2 HIS 98 HD2 HIS 98 4.215 5.691 -17.767 843 HE1 HIS 98 HE1 HIS 98 5.850 8.500 -15.080 844 HE2 HIS 98 HE2 HIS 98 5.214 8.062 -17.476 845 HA PRO 99 HA PRO 99 8.406 3.575 -12.411 846 HB2 PRO 99 HB2 PRO 99 10.008 5.614 -13.351 847 HB3 PRO 99 HB1 PRO 99 10.090 3.955 -13.956 848 HG2 PRO 99 HG2 PRO 99 8.651 6.327 -15.128 849 HG3 PRO 99 HG1 PRO 99 9.662 5.115 -15.946 850 HD2 PRO 99 HD2 PRO 99 6.963 4.975 -16.006 851 HD3 PRO 99 HD1 PRO 99 7.963 3.514 -15.950 852 H MET 100 HN MET 100 7.193 6.723 -13.687 853 HA MET 100 HA MET 100 7.908 8.069 -11.225 854 HB2 MET 100 HB2 MET 100 6.479 9.220 -13.649 855 HB3 MET 100 HB1 MET 100 7.219 10.136 -12.340 856 HG2 MET 100 HG2 MET 100 9.424 9.109 -12.995 857 HG3 MET 100 HG1 MET 100 8.624 8.443 -14.416 858 HE1 MET 100 HE1 MET 100 7.463 10.001 -16.305 859 HE2 MET 100 HE2 MET 100 7.547 11.764 -16.292 860 HE3 MET 100 HE3 MET 100 6.576 10.920 -15.087 861 H THR 101 HN THR 101 5.161 6.378 -12.217 862 HA THR 101 HA THR 101 3.256 7.664 -10.478 863 HB THR 101 HB THR 101 1.955 5.527 -10.655 864 HG1 THR 101 HG1 THR 101 4.381 4.592 -11.539 865 HG21 THR 101 HG21 THR 101 1.555 5.565 -13.115 866 HG22 THR 101 HG22 THR 101 2.977 6.590 -13.312 867 HG23 THR 101 HG23 THR 101 1.580 7.186 -12.409 868 H ALA 102 HN ALA 102 2.387 6.517 -8.534 869 HA ALA 102 HA ALA 102 4.348 6.397 -6.559 870 HB1 ALA 102 HB1 ALA 102 2.550 5.719 -5.027 871 HB2 ALA 102 HB2 ALA 102 1.498 5.358 -6.397 872 HB3 ALA 102 HB3 ALA 102 2.010 7.018 -6.092 873 H LEU 103 HN LEU 103 2.748 3.701 -8.264 874 HA LEU 103 HA LEU 103 3.597 1.672 -6.335 875 HB2 LEU 103 HB2 LEU 103 1.511 1.344 -7.813 876 HB3 LEU 103 HB1 LEU 103 2.607 1.101 -9.164 877 HG LEU 103 HG LEU 103 3.655 -0.831 -7.877 878 HD11 LEU 103 HD11 LEU 103 1.251 -0.525 -6.040 879 HD12 LEU 103 HD12 LEU 103 2.938 -0.234 -5.602 880 HD13 LEU 103 HD13 LEU 103 2.408 -1.858 -6.030 881 HD21 LEU 103 HD21 LEU 103 0.715 -1.130 -8.586 882 HD22 LEU 103 HD22 LEU 103 1.878 -2.452 -8.433 883 HD23 LEU 103 HD23 LEU 103 2.076 -1.248 -9.707 884 H GLY 104 HN GLY 104 4.513 2.536 -9.795 885 HA2 GLY 104 HA2 GLY 104 6.841 1.333 -10.128 886 HA3 GLY 104 HA1 GLY 104 6.545 2.981 -10.632 887 H ARG 105 HN ARG 105 6.508 3.854 -7.594 888 HA ARG 105 HA ARG 105 9.420 4.149 -7.424 889 HB2 ARG 105 HB2 ARG 105 7.150 5.653 -6.030 890 HB3 ARG 105 HB1 ARG 105 8.870 6.022 -5.882 891 HG2 ARG 105 HG2 ARG 105 8.961 6.652 -8.231 892 HG3 ARG 105 HG1 ARG 105 7.288 6.183 -8.465 893 HD2 ARG 105 HD2 ARG 105 7.631 8.655 -8.246 894 HD3 ARG 105 HD1 ARG 105 6.502 7.977 -7.066 895 HE ARG 105 HE ARG 105 9.064 8.010 -5.914 896 HH11 ARG 105 HH11 ARG 105 6.692 10.376 -6.988 897 HH12 ARG 105 HH12 ARG 105 7.164 11.545 -5.798 898 HH21 ARG 105 HH21 ARG 105 9.611 9.535 -4.337 899 HH22 ARG 105 HH22 ARG 105 8.784 11.060 -4.285 900 H GLU 106 HN GLU 106 6.611 2.764 -6.159 901 HA GLU 106 HA GLU 106 7.296 2.205 -3.464 902 HB2 GLU 106 HB2 GLU 106 4.946 2.092 -4.327 903 HB3 GLU 106 HB1 GLU 106 5.372 0.674 -5.273 904 HG2 GLU 106 HG2 GLU 106 4.150 0.049 -3.260 905 HG3 GLU 106 HG1 GLU 106 5.787 -0.609 -3.239 906 H MET 107 HN MET 107 7.440 0.127 -6.421 907 HA MET 107 HA MET 107 8.639 -2.057 -4.870 908 HB2 MET 107 HB2 MET 107 7.968 -1.953 -7.848 909 HB3 MET 107 HB1 MET 107 8.583 -3.354 -6.980 910 HG2 MET 107 HG2 MET 107 6.391 -2.962 -5.503 911 HG3 MET 107 HG1 MET 107 5.832 -2.182 -6.982 912 HE1 MET 107 HE1 MET 107 7.387 -4.038 -9.219 913 HE2 MET 107 HE2 MET 107 5.690 -3.593 -9.412 914 HE3 MET 107 HE3 MET 107 6.177 -5.288 -9.523 915 H GLY 108 HN GLY 108 9.504 0.720 -6.718 916 HA2 GLY 108 HA2 GLY 108 11.682 1.650 -6.386 917 HA3 GLY 108 HA1 GLY 108 12.377 0.040 -6.427 918 H LEU 109 HN LEU 109 10.031 0.622 -8.853 919 HA LEU 109 HA LEU 109 11.889 0.133 -10.966 920 HB2 LEU 109 HB2 LEU 109 9.021 1.063 -11.303 921 HB3 LEU 109 HB1 LEU 109 9.967 0.060 -12.395 922 HG LEU 109 HG LEU 109 8.873 -0.784 -9.676 923 HD11 LEU 109 HD11 LEU 109 7.126 -0.591 -11.378 924 HD12 LEU 109 HD12 LEU 109 7.391 -2.270 -10.919 925 HD13 LEU 109 HD13 LEU 109 8.027 -1.667 -12.450 926 HD21 LEU 109 HD21 LEU 109 10.452 -2.450 -11.670 927 HD22 LEU 109 HD22 LEU 109 9.677 -3.055 -10.205 928 HD23 LEU 109 HD23 LEU 109 11.012 -1.913 -10.084 929 H GLU 110 HN GLU 110 13.040 1.575 -12.118 930 HA GLU 110 HA GLU 110 12.285 4.456 -12.188 931 HB2 GLU 110 HB2 GLU 110 14.679 4.933 -12.471 932 HB3 GLU 110 HB1 GLU 110 14.400 4.010 -10.996 933 HG2 GLU 110 HG2 GLU 110 15.041 1.927 -12.287 934 HG3 GLU 110 HG1 GLU 110 15.514 2.976 -13.621 935 H GLU 111 HN GLU 111 11.615 2.036 -13.846 936 HA GLU 111 HA GLU 111 11.702 3.362 -16.465 937 HB2 GLU 111 HB2 GLU 111 12.405 1.310 -17.649 938 HB3 GLU 111 HB1 GLU 111 13.661 1.849 -16.546 939 HG2 GLU 111 HG2 GLU 111 11.733 -0.442 -16.005 940 HG3 GLU 111 HG1 GLU 111 13.377 -0.625 -16.609 941 H MET 112 HN MET 112 10.041 2.491 -17.952 942 HA MET 112 HA MET 112 7.671 1.625 -16.584 943 HB2 MET 112 HB2 MET 112 7.411 3.078 -18.560 944 HB3 MET 112 HB1 MET 112 8.204 1.878 -19.579 945 HG2 MET 112 HG2 MET 112 6.388 0.343 -19.329 946 HG3 MET 112 HG1 MET 112 5.667 1.292 -18.041 947 HE1 MET 112 HE1 MET 112 5.194 4.089 -18.740 948 HE2 MET 112 HE2 MET 112 3.926 2.937 -18.308 949 HE3 MET 112 HE3 MET 112 3.719 4.003 -19.704 950 H THR 113 HN THR 113 7.167 -0.315 -16.216 951 HA THR 113 HA THR 113 8.906 -2.528 -17.190 952 HB THR 113 HB THR 113 7.496 -2.462 -14.482 953 HG1 THR 113 HG1 THR 113 9.200 -0.806 -14.813 954 HG21 THR 113 HG21 THR 113 9.777 -4.194 -15.523 955 HG22 THR 113 HG22 THR 113 8.110 -4.728 -15.285 956 HG23 THR 113 HG23 THR 113 9.087 -4.255 -13.896 957 H GLY 114 HN GLY 114 7.851 -4.479 -17.842 958 HA2 GLY 114 HA2 GLY 114 5.002 -4.783 -17.122 959 HA3 GLY 114 HA1 GLY 114 5.627 -5.143 -18.724 960 H PHE 115 HN PHE 115 4.253 -7.250 -17.813 961 HA PHE 115 HA PHE 115 6.016 -9.231 -16.892 962 HB2 PHE 115 HB2 PHE 115 3.804 -8.361 -14.959 963 HB3 PHE 115 HB1 PHE 115 4.841 -9.764 -14.787 964 HD1 PHE 115 HD2 PHE 115 7.313 -9.420 -14.294 965 HD2 PHE 115 HD1 PHE 115 4.477 -6.228 -14.157 966 HE1 PHE 115 HE2 PHE 115 8.863 -8.108 -12.903 967 HE2 PHE 115 HE1 PHE 115 6.036 -4.911 -12.758 968 HZ PHE 115 HZ PHE 115 8.224 -5.858 -12.125 969 H SER 116 HN SER 116 4.989 -11.179 -17.845 970 HA SER 116 HA SER 116 2.165 -11.493 -17.079 971 HB2 SER 116 HB2 SER 116 2.373 -10.479 -19.396 972 HB3 SER 116 HB1 SER 116 3.197 -11.939 -19.918 973 HG SER 116 HG SER 116 0.568 -11.469 -19.672 974 H LYS 117 HN LYS 117 1.273 -13.610 -17.700 975 HA LYS 117 HA LYS 117 3.002 -15.922 -17.220 976 HB2 LYS 117 HB2 LYS 117 -0.015 -15.635 -17.585 977 HB3 LYS 117 HB1 LYS 117 0.790 -17.171 -17.270 978 HG2 LYS 117 HG2 LYS 117 0.797 -14.778 -15.395 979 HG3 LYS 117 HG1 LYS 117 -0.275 -16.166 -15.250 980 HD2 LYS 117 HD2 LYS 117 2.742 -16.120 -14.933 981 HD3 LYS 117 HD1 LYS 117 1.544 -16.465 -13.689 982 HE2 LYS 117 HE2 LYS 117 2.207 -18.218 -16.088 983 HE3 LYS 117 HE1 LYS 117 2.640 -18.535 -14.409 984 HZ1 LYS 117 HZ1 LYS 117 0.718 -19.813 -15.136 985 HZ2 LYS 117 HZ2 LYS 117 -0.133 -18.389 -15.457 986 HZ3 LYS 117 HZ3 LYS 117 0.315 -18.764 -13.874 987 H THR 118 HN THR 118 1.852 -14.127 -19.795 988 HA THR 118 HA THR 118 2.101 -16.279 -21.812 989 HB THR 118 HB THR 118 0.488 -14.742 -23.168 990 HG1 THR 118 HG1 THR 118 0.828 -13.102 -21.314 991 HG21 THR 118 HG21 THR 118 -0.341 -16.867 -22.228 992 HG22 THR 118 HG22 THR 118 -1.574 -15.602 -22.125 993 HG23 THR 118 HG23 THR 118 -0.657 -16.069 -20.685 994 H THR 119 HN THR 119 2.910 -15.482 -23.918 995 HA THR 119 HA THR 119 5.226 -13.838 -23.599 996 HB THR 119 HB THR 119 5.230 -15.773 -25.119 997 HG1 THR 119 HG1 THR 119 6.039 -14.494 -27.059 998 HG21 THR 119 HG21 THR 119 4.132 -15.713 -27.333 999 HG22 THR 119 HG22 THR 119 3.352 -14.185 -26.915 1000 HG23 THR 119 HG23 THR 119 2.934 -15.658 -26.036 1001 H PHE 120 HN PHE 120 5.661 -11.802 -24.402 1002 HA PHE 120 HA PHE 120 3.836 -10.387 -26.142 1003 HB2 PHE 120 HB2 PHE 120 3.608 -8.396 -24.707 1004 HB3 PHE 120 HB1 PHE 120 2.885 -9.801 -23.953 1005 HD1 PHE 120 HD2 PHE 120 4.229 -10.990 -22.082 1006 HD2 PHE 120 HD1 PHE 120 5.184 -7.075 -23.512 1007 HE1 PHE 120 HE2 PHE 120 5.463 -10.519 -20.006 1008 HE2 PHE 120 HE1 PHE 120 6.415 -6.616 -21.433 1009 HZ PHE 120 HZ PHE 120 6.556 -8.336 -19.676 Start of MODEL 15 1 H MET 1 HT1 MET 1 -13.123 -9.853 -5.062 2 HA MET 1 HA MET 1 -15.033 -10.712 -3.906 3 HB2 MET 1 HB2 MET 1 -12.540 -10.456 -2.156 4 HB3 MET 1 HB1 MET 1 -13.823 -11.633 -1.894 5 HG2 MET 1 HG2 MET 1 -11.926 -12.696 -2.961 6 HG3 MET 1 HG1 MET 1 -13.286 -12.661 -4.090 7 HE1 MET 1 HE1 MET 1 -11.602 -13.197 -6.150 8 HE2 MET 1 HE2 MET 1 -10.278 -13.268 -4.988 9 HE3 MET 1 HE3 MET 1 -10.126 -12.273 -6.435 10 H LYS 2 HN LYS 2 -13.310 -8.753 -1.447 11 HA LYS 2 HA LYS 2 -15.843 -7.479 -0.587 12 HB2 LYS 2 HB2 LYS 2 -13.793 -8.709 1.321 13 HB3 LYS 2 HB1 LYS 2 -15.270 -7.870 1.787 14 HG2 LYS 2 HG2 LYS 2 -16.629 -9.676 0.816 15 HG3 LYS 2 HG1 LYS 2 -15.166 -10.503 0.269 16 HD2 LYS 2 HD2 LYS 2 -15.931 -9.971 3.174 17 HD3 LYS 2 HD1 LYS 2 -16.085 -11.517 2.332 18 HE2 LYS 2 HE2 LYS 2 -13.609 -11.561 2.016 19 HE3 LYS 2 HE1 LYS 2 -13.482 -10.053 2.924 20 HZ1 LYS 2 HZ1 LYS 2 -14.537 -12.621 3.974 21 HZ2 LYS 2 HZ2 LYS 2 -14.400 -11.182 4.849 22 HZ3 LYS 2 HZ3 LYS 2 -13.012 -11.972 4.302 23 H GLU 3 HN GLU 3 -12.341 -7.695 -0.151 24 HA GLU 3 HA GLU 3 -10.639 -6.292 0.121 25 HB2 GLU 3 HB2 GLU 3 -12.404 -4.535 -1.613 26 HB3 GLU 3 HB1 GLU 3 -10.787 -4.046 -1.131 27 HG2 GLU 3 HG2 GLU 3 -10.722 -4.974 -3.364 28 HG3 GLU 3 HG1 GLU 3 -9.839 -6.024 -2.261 29 H VAL 4 HN VAL 4 -11.396 -6.497 2.335 30 HA VAL 4 HA VAL 4 -12.075 -3.918 3.647 31 HB VAL 4 HB VAL 4 -12.513 -5.356 5.682 32 HG11 VAL 4 HG11 VAL 4 -14.380 -4.665 4.236 33 HG12 VAL 4 HG12 VAL 4 -14.677 -6.274 4.890 34 HG13 VAL 4 HG13 VAL 4 -14.149 -6.090 3.216 35 HG21 VAL 4 HG21 VAL 4 -11.079 -7.300 5.111 36 HG22 VAL 4 HG22 VAL 4 -12.144 -7.713 3.767 37 HG23 VAL 4 HG23 VAL 4 -12.735 -7.818 5.429 38 H GLU 5 HN GLU 5 -9.599 -5.997 2.939 39 HA GLU 5 HA GLU 5 -7.762 -5.988 5.021 40 HB2 GLU 5 HB2 GLU 5 -6.965 -5.753 2.087 41 HB3 GLU 5 HB1 GLU 5 -5.925 -6.301 3.394 42 HG2 GLU 5 HG2 GLU 5 -6.555 -8.247 2.252 43 HG3 GLU 5 HG1 GLU 5 -7.543 -8.238 3.708 44 H LYS 6 HN LYS 6 -7.820 -3.674 2.328 45 HA LYS 6 HA LYS 6 -5.999 -1.786 3.244 46 HB2 LYS 6 HB2 LYS 6 -7.244 -0.123 1.828 47 HB3 LYS 6 HB1 LYS 6 -6.857 -1.632 1.012 48 HG2 LYS 6 HG2 LYS 6 -9.230 -2.395 1.509 49 HG3 LYS 6 HG1 LYS 6 -9.567 -0.742 2.038 50 HD2 LYS 6 HD2 LYS 6 -8.961 0.103 -0.213 51 HD3 LYS 6 HD1 LYS 6 -8.588 -1.544 -0.737 52 HE2 LYS 6 HE2 LYS 6 -10.785 -0.926 -1.565 53 HE3 LYS 6 HE1 LYS 6 -10.978 -2.166 -0.324 54 HZ1 LYS 6 HZ1 LYS 6 -12.598 -0.434 -0.029 55 HZ2 LYS 6 HZ2 LYS 6 -11.404 0.757 0.007 56 HZ3 LYS 6 HZ3 LYS 6 -11.505 -0.369 1.258 57 H ASN 7 HN ASN 7 -9.384 -2.194 4.310 58 HA ASN 7 HA ASN 7 -9.530 0.185 5.936 59 HB2 ASN 7 HB2 ASN 7 -11.593 -0.943 5.243 60 HB3 ASN 7 HB1 ASN 7 -11.109 -2.419 6.057 61 HD21 ASN 7 HD21 ASN 7 -11.347 -2.589 8.279 62 HD22 ASN 7 HD22 ASN 7 -12.257 -1.450 9.207 63 H GLU 8 HN GLU 8 -8.527 -3.173 6.500 64 HA GLU 8 HA GLU 8 -8.036 -2.998 9.288 65 HB2 GLU 8 HB2 GLU 8 -7.104 -4.927 7.162 66 HB3 GLU 8 HB1 GLU 8 -6.315 -4.978 8.727 67 HG2 GLU 8 HG2 GLU 8 -8.008 -6.643 8.740 68 HG3 GLU 8 HG1 GLU 8 -8.541 -5.349 9.805 69 H ILE 9 HN ILE 9 -5.729 -2.540 6.512 70 HA ILE 9 HA ILE 9 -3.511 -1.825 8.020 71 HB ILE 9 HB ILE 9 -4.211 -0.739 5.253 72 HG12 ILE 9 HG12 ILE 9 -4.382 -3.205 5.234 73 HG13 ILE 9 HG11 ILE 9 -2.978 -2.694 4.312 74 HG21 ILE 9 HG21 ILE 9 -2.324 0.452 6.289 75 HG22 ILE 9 HG22 ILE 9 -1.761 -0.521 4.933 76 HG23 ILE 9 HG23 ILE 9 -1.490 -1.075 6.586 77 HD11 ILE 9 HD11 ILE 9 -2.537 -4.694 5.627 78 HD12 ILE 9 HD12 ILE 9 -2.935 -3.831 7.113 79 HD13 ILE 9 HD13 ILE 9 -1.519 -3.354 6.168 80 H LYS 10 HN LYS 10 -6.159 0.184 6.759 81 HA LYS 10 HA LYS 10 -5.308 2.731 7.607 82 HB2 LYS 10 HB2 LYS 10 -7.199 2.381 6.062 83 HB3 LYS 10 HB1 LYS 10 -8.119 1.583 7.331 84 HG2 LYS 10 HG2 LYS 10 -8.058 3.795 8.606 85 HG3 LYS 10 HG1 LYS 10 -7.389 4.527 7.147 86 HD2 LYS 10 HD2 LYS 10 -9.802 4.917 7.221 87 HD3 LYS 10 HD1 LYS 10 -9.434 3.819 5.886 88 HE2 LYS 10 HE2 LYS 10 -10.100 1.891 7.323 89 HE3 LYS 10 HE1 LYS 10 -10.514 3.015 8.620 90 HZ1 LYS 10 HZ1 LYS 10 -12.188 3.984 7.182 91 HZ2 LYS 10 HZ2 LYS 10 -12.452 2.323 7.360 92 HZ3 LYS 10 HZ3 LYS 10 -11.769 2.923 5.936 93 H ARG 11 HN ARG 11 -7.237 0.304 9.180 94 HA ARG 11 HA ARG 11 -7.840 1.437 11.621 95 HB2 ARG 11 HB2 ARG 11 -8.813 -0.692 10.892 96 HB3 ARG 11 HB1 ARG 11 -7.251 -1.490 11.089 97 HG2 ARG 11 HG2 ARG 11 -7.307 -1.131 13.506 98 HG3 ARG 11 HG1 ARG 11 -8.820 -0.228 13.361 99 HD2 ARG 11 HD2 ARG 11 -8.468 -3.155 12.629 100 HD3 ARG 11 HD1 ARG 11 -9.126 -2.568 14.155 101 HE ARG 11 HE ARG 11 -10.972 -1.567 12.877 102 HH11 ARG 11 HH11 ARG 11 -9.167 -4.109 11.313 103 HH12 ARG 11 HH12 ARG 11 -10.465 -4.554 10.260 104 HH21 ARG 11 HH21 ARG 11 -12.693 -2.197 11.537 105 HH22 ARG 11 HH22 ARG 11 -12.474 -3.486 10.401 106 H LEU 12 HN LEU 12 -4.979 -0.762 11.151 107 HA LEU 12 HA LEU 12 -3.869 -0.226 13.705 108 HB2 LEU 12 HB2 LEU 12 -1.774 -1.295 12.839 109 HB3 LEU 12 HB1 LEU 12 -3.235 -2.237 12.604 110 HG LEU 12 HG LEU 12 -3.115 -1.023 10.169 111 HD11 LEU 12 HD11 LEU 12 -0.834 -0.966 9.298 112 HD12 LEU 12 HD12 LEU 12 -0.192 -1.289 10.911 113 HD13 LEU 12 HD13 LEU 12 -1.059 0.214 10.590 114 HD21 LEU 12 HD21 LEU 12 -3.339 -3.433 10.539 115 HD22 LEU 12 HD22 LEU 12 -1.601 -3.559 10.844 116 HD23 LEU 12 HD23 LEU 12 -2.189 -3.074 9.250 117 H SER 13 HN SER 13 -3.143 1.247 10.535 118 HA SER 13 HA SER 13 -1.288 3.153 11.239 119 HB2 SER 13 HB2 SER 13 -2.088 2.806 8.928 120 HB3 SER 13 HB1 SER 13 -3.644 3.520 9.352 121 HG SER 13 HG SER 13 -1.230 4.952 9.700 122 H ASP 14 HN ASP 14 -4.870 3.683 11.365 123 HA ASP 14 HA ASP 14 -5.011 6.109 12.677 124 HB2 ASP 14 HB2 ASP 14 -6.915 5.011 11.556 125 HB3 ASP 14 HB1 ASP 14 -6.892 3.702 12.718 126 H ARG 15 HN ARG 15 -4.413 2.947 13.944 127 HA ARG 15 HA ARG 15 -5.019 3.466 16.712 128 HB2 ARG 15 HB2 ARG 15 -4.834 1.127 15.764 129 HB3 ARG 15 HB1 ARG 15 -3.083 1.334 15.689 130 HG2 ARG 15 HG2 ARG 15 -3.738 0.091 17.716 131 HG3 ARG 15 HG1 ARG 15 -2.975 1.631 18.128 132 HD2 ARG 15 HD2 ARG 15 -5.474 2.523 18.196 133 HD3 ARG 15 HD1 ARG 15 -5.868 0.817 18.376 134 HE ARG 15 HE ARG 15 -4.539 0.800 20.416 135 HH11 ARG 15 HH11 ARG 15 -5.378 3.998 19.199 136 HH12 ARG 15 HH12 ARG 15 -5.169 4.770 20.735 137 HH21 ARG 15 HH21 ARG 15 -4.284 1.836 22.430 138 HH22 ARG 15 HH22 ARG 15 -4.566 3.542 22.569 139 H LEU 16 HN LEU 16 -1.960 3.268 14.892 140 HA LEU 16 HA LEU 16 -0.280 4.243 16.948 141 HB2 LEU 16 HB2 LEU 16 0.376 2.972 14.792 142 HB3 LEU 16 HB1 LEU 16 0.266 4.509 13.963 143 HG LEU 16 HG LEU 16 2.620 3.774 14.561 144 HD11 LEU 16 HD11 LEU 16 1.854 6.426 15.802 145 HD12 LEU 16 HD12 LEU 16 2.192 6.137 14.096 146 HD13 LEU 16 HD13 LEU 16 3.470 5.930 15.291 147 HD21 LEU 16 HD21 LEU 16 2.170 2.750 16.728 148 HD22 LEU 16 HD22 LEU 16 1.796 4.329 17.423 149 HD23 LEU 16 HD23 LEU 16 3.429 3.975 16.855 150 H ASP 17 HN ASP 17 -1.994 5.952 14.244 151 HA ASP 17 HA ASP 17 -0.974 8.495 14.563 152 HB2 ASP 17 HB2 ASP 17 -2.305 7.859 12.628 153 HB3 ASP 17 HB1 ASP 17 -3.730 7.596 13.633 154 H ALA 18 HN ALA 18 -4.208 7.528 15.845 155 HA ALA 18 HA ALA 18 -4.691 9.279 17.780 156 HB1 ALA 18 HB1 ALA 18 -6.072 7.311 17.353 157 HB2 ALA 18 HB2 ALA 18 -5.802 7.545 19.081 158 HB3 ALA 18 HB3 ALA 18 -4.908 6.296 18.207 159 H ILE 19 HN ILE 19 -2.191 6.746 18.130 160 HA ILE 19 HA ILE 19 -1.732 7.280 20.934 161 HB ILE 19 HB ILE 19 -0.139 5.628 18.935 162 HG12 ILE 19 HG12 ILE 19 -1.920 4.898 21.312 163 HG13 ILE 19 HG11 ILE 19 -2.292 4.650 19.612 164 HG21 ILE 19 HG21 ILE 19 1.251 4.783 20.810 165 HG22 ILE 19 HG22 ILE 19 0.489 5.939 21.904 166 HG23 ILE 19 HG23 ILE 19 1.491 6.513 20.571 167 HD11 ILE 19 HD11 ILE 19 -0.481 3.006 19.475 168 HD12 ILE 19 HD12 ILE 19 -1.690 2.580 20.685 169 HD13 ILE 19 HD13 ILE 19 -0.140 3.252 21.189 170 H ARG 20 HN ARG 20 0.195 8.135 17.979 171 HA ARG 20 HA ARG 20 2.133 9.640 19.298 172 HB2 ARG 20 HB2 ARG 20 2.584 10.713 17.056 173 HB3 ARG 20 HB1 ARG 20 2.622 8.958 17.059 174 HG2 ARG 20 HG2 ARG 20 0.793 8.757 15.689 175 HG3 ARG 20 HG1 ARG 20 0.006 10.184 16.346 176 HD2 ARG 20 HD2 ARG 20 2.347 10.288 14.421 177 HD3 ARG 20 HD1 ARG 20 0.651 10.397 13.939 178 HE ARG 20 HE ARG 20 2.244 12.415 15.318 179 HH11 ARG 20 HH11 ARG 20 -0.998 11.489 14.297 180 HH12 ARG 20 HH12 ARG 20 -1.610 13.103 14.421 181 HH21 ARG 20 HH21 ARG 20 1.397 14.502 15.503 182 HH22 ARG 20 HH22 ARG 20 -0.261 14.809 15.092 183 H HIS 21 HN HIS 21 -1.056 10.808 17.906 184 HA HIS 21 HA HIS 21 -0.744 13.484 18.503 185 HB2 HIS 21 HB2 HIS 21 -2.590 12.338 17.130 186 HB3 HIS 21 HB1 HIS 21 -3.349 11.901 18.646 187 HD1 HIS 21 HD1 HIS 21 -4.789 13.649 19.764 188 HD2 HIS 21 HD2 HIS 21 -2.525 15.212 16.665 189 HE1 HIS 21 HE1 HIS 21 -5.609 15.993 19.458 190 HE2 HIS 21 HE2 HIS 21 -4.069 16.978 17.743 191 H GLN 22 HN GLN 22 -2.138 10.890 20.374 192 HA GLN 22 HA GLN 22 -2.884 12.082 22.782 193 HB2 GLN 22 HB2 GLN 22 -3.514 9.862 22.559 194 HB3 GLN 22 HB1 GLN 22 -1.954 9.365 21.925 195 HG2 GLN 22 HG2 GLN 22 -1.077 9.682 24.323 196 HG3 GLN 22 HG1 GLN 22 -2.777 9.758 24.797 197 HE21 GLN 22 HE21 GLN 22 -0.303 7.758 23.312 198 HE22 GLN 22 HE22 GLN 22 -1.083 6.239 23.582 199 H GLN 23 HN GLN 23 0.300 10.892 21.780 200 HA GLN 23 HA GLN 23 1.600 11.627 24.234 201 HB2 GLN 23 HB2 GLN 23 2.671 10.694 21.551 202 HB3 GLN 23 HB1 GLN 23 3.692 11.003 22.960 203 HG2 GLN 23 HG2 GLN 23 2.471 9.279 24.229 204 HG3 GLN 23 HG1 GLN 23 1.455 8.963 22.819 205 HE21 GLN 23 HE21 GLN 23 4.670 8.665 24.162 206 HE22 GLN 23 HE22 GLN 23 5.262 7.520 23.015 207 H ALA 24 HN ALA 24 1.035 13.298 21.130 208 HA ALA 24 HA ALA 24 2.771 15.499 21.804 209 HB1 ALA 24 HB1 ALA 24 2.303 14.890 19.467 210 HB2 ALA 24 HB2 ALA 24 1.787 16.545 19.802 211 HB3 ALA 24 HB3 ALA 24 0.592 15.247 19.702 212 H ASP 25 HN ASP 25 -0.395 14.512 22.724 213 HA ASP 25 HA ASP 25 -1.337 17.154 23.571 214 HB2 ASP 25 HB2 ASP 25 -2.428 14.338 24.054 215 HB3 ASP 25 HB1 ASP 25 -3.154 15.786 24.730 216 H LEU 26 HN LEU 26 0.198 14.251 24.742 217 HA LEU 26 HA LEU 26 0.716 15.390 27.393 218 HB2 LEU 26 HB2 LEU 26 1.704 12.769 26.193 219 HB3 LEU 26 HB1 LEU 26 1.875 13.271 27.871 220 HG LEU 26 HG LEU 26 -0.678 12.449 26.429 221 HD11 LEU 26 HD11 LEU 26 0.708 10.612 27.261 222 HD12 LEU 26 HD12 LEU 26 -0.814 10.712 28.139 223 HD13 LEU 26 HD13 LEU 26 0.676 11.300 28.885 224 HD21 LEU 26 HD21 LEU 26 -1.244 14.398 27.802 225 HD22 LEU 26 HD22 LEU 26 -0.501 13.649 29.217 226 HD23 LEU 26 HD23 LEU 26 -1.937 12.927 28.484 227 H SER 27 HN SER 27 3.019 15.416 28.129 228 HA SER 27 HA SER 27 4.977 15.774 25.955 229 HB2 SER 27 HB2 SER 27 4.047 18.042 26.654 230 HB3 SER 27 HB1 SER 27 4.764 17.762 28.244 231 HG SER 27 HG SER 27 5.923 18.651 25.999 232 H LEU 28 HN LEU 28 7.137 15.757 26.642 233 HA LEU 28 HA LEU 28 7.929 13.929 28.633 234 HB2 LEU 28 HB2 LEU 28 9.077 14.399 26.466 235 HB3 LEU 28 HB1 LEU 28 9.544 15.979 27.055 236 HG LEU 28 HG LEU 28 11.311 14.082 26.993 237 HD11 LEU 28 HD11 LEU 28 11.067 15.606 29.590 238 HD12 LEU 28 HD12 LEU 28 11.781 16.211 28.096 239 HD13 LEU 28 HD13 LEU 28 12.530 14.861 28.944 240 HD21 LEU 28 HD21 LEU 28 9.898 13.227 29.531 241 HD22 LEU 28 HD22 LEU 28 11.418 12.570 28.909 242 HD23 LEU 28 HD23 LEU 28 9.921 12.332 28.009 243 H VAL 29 HN VAL 29 7.081 17.256 28.849 244 HA VAL 29 HA VAL 29 8.605 17.685 31.334 245 HB VAL 29 HB VAL 29 6.746 19.572 29.824 246 HG11 VAL 29 HG11 VAL 29 8.676 20.194 32.097 247 HG12 VAL 29 HG12 VAL 29 6.914 20.212 32.194 248 HG13 VAL 29 HG13 VAL 29 7.752 21.385 31.180 249 HG21 VAL 29 HG21 VAL 29 8.745 18.951 28.494 250 HG22 VAL 29 HG22 VAL 29 9.794 19.474 29.816 251 HG23 VAL 29 HG23 VAL 29 8.787 20.652 28.966 252 H GLU 30 HN GLU 30 5.223 17.306 30.233 253 HA GLU 30 HA GLU 30 4.199 17.965 32.912 254 HB2 GLU 30 HB2 GLU 30 2.008 18.187 31.858 255 HB3 GLU 30 HB1 GLU 30 3.214 19.114 30.969 256 HG2 GLU 30 HG2 GLU 30 3.362 17.155 29.354 257 HG3 GLU 30 HG1 GLU 30 1.960 16.473 30.174 258 H ALA 31 HN ALA 31 4.444 15.142 30.802 259 HA ALA 31 HA ALA 31 3.075 13.452 32.792 260 HB1 ALA 31 HB1 ALA 31 1.606 12.442 31.048 261 HB2 ALA 31 HB2 ALA 31 2.173 13.648 29.887 262 HB3 ALA 31 HB3 ALA 31 1.251 14.156 31.304 263 H ALA 32 HN ALA 32 5.650 13.236 32.637 264 HA ALA 32 HA ALA 32 6.524 11.500 30.410 265 HB1 ALA 32 HB1 ALA 32 8.174 13.177 32.315 266 HB2 ALA 32 HB2 ALA 32 7.764 13.615 30.659 267 HB3 ALA 32 HB3 ALA 32 8.794 12.219 30.968 268 H ASP 33 HN ASP 33 5.950 9.298 31.280 269 HA ASP 33 HA ASP 33 7.263 7.949 33.018 270 HB2 ASP 33 HB2 ASP 33 6.499 9.482 34.891 271 HB3 ASP 33 HB1 ASP 33 4.830 9.181 34.441 272 H LYS 34 HN LYS 34 3.692 8.592 33.042 273 HA LYS 34 HA LYS 34 2.691 6.741 31.373 274 HB2 LYS 34 HB2 LYS 34 1.385 8.511 32.461 275 HB3 LYS 34 HB1 LYS 34 2.106 9.730 31.424 276 HG2 LYS 34 HG2 LYS 34 -0.149 9.298 30.696 277 HG3 LYS 34 HG1 LYS 34 0.971 8.713 29.465 278 HD2 LYS 34 HD2 LYS 34 0.636 6.404 30.189 279 HD3 LYS 34 HD1 LYS 34 -0.361 6.940 31.547 280 HE2 LYS 34 HE2 LYS 34 -2.054 7.808 29.970 281 HE3 LYS 34 HE1 LYS 34 -1.060 7.298 28.605 282 HZ1 LYS 34 HZ1 LYS 34 -2.811 5.728 29.040 283 HZ2 LYS 34 HZ2 LYS 34 -2.294 5.527 30.636 284 HZ3 LYS 34 HZ3 LYS 34 -1.312 5.007 29.365 285 H TYR 35 HN TYR 35 4.398 9.676 30.308 286 HA TYR 35 HA TYR 35 4.079 9.342 27.474 287 HB2 TYR 35 HB2 TYR 35 4.879 11.520 28.494 288 HB3 TYR 35 HB1 TYR 35 6.422 10.759 28.839 289 HD1 TYR 35 HD2 TYR 35 4.131 11.511 25.956 290 HD2 TYR 35 HD1 TYR 35 8.171 11.003 27.256 291 HE1 TYR 35 HE2 TYR 35 4.935 12.224 23.755 292 HE2 TYR 35 HE1 TYR 35 8.974 11.733 25.052 293 HH TYR 35 HH TYR 35 8.121 11.800 22.722 294 H ALA 36 HN ALA 36 6.499 8.238 29.793 295 HA ALA 36 HA ALA 36 8.326 6.992 28.066 296 HB1 ALA 36 HB1 ALA 36 8.825 7.491 30.433 297 HB2 ALA 36 HB2 ALA 36 9.153 5.801 30.046 298 HB3 ALA 36 HB3 ALA 36 7.693 6.238 30.941 299 H GLU 37 HN GLU 37 5.540 5.505 29.842 300 HA GLU 37 HA GLU 37 5.707 2.946 28.802 301 HB2 GLU 37 HB2 GLU 37 3.179 4.425 29.654 302 HB3 GLU 37 HB1 GLU 37 3.389 2.674 29.594 303 HG2 GLU 37 HG2 GLU 37 4.736 4.626 31.513 304 HG3 GLU 37 HG1 GLU 37 3.508 3.415 31.883 305 H LEU 38 HN LEU 38 3.562 5.523 27.761 306 HA LEU 38 HA LEU 38 2.519 4.439 25.439 307 HB2 LEU 38 HB2 LEU 38 3.219 7.342 25.915 308 HB3 LEU 38 HB1 LEU 38 2.184 6.770 24.611 309 HG LEU 38 HG LEU 38 1.595 6.579 27.591 310 HD11 LEU 38 HD11 LEU 38 0.241 8.216 25.431 311 HD12 LEU 38 HD12 LEU 38 1.321 8.830 26.682 312 HD13 LEU 38 HD13 LEU 38 -0.232 8.136 27.133 313 HD21 LEU 38 HD21 LEU 38 -0.117 5.582 25.284 314 HD22 LEU 38 HD22 LEU 38 -0.593 5.625 26.984 315 HD23 LEU 38 HD23 LEU 38 0.723 4.573 26.466 316 H GLU 39 HN GLU 39 5.668 6.089 25.715 317 HA GLU 39 HA GLU 39 6.564 5.832 23.058 318 HB2 GLU 39 HB2 GLU 39 8.015 5.966 25.718 319 HB3 GLU 39 HB1 GLU 39 8.929 5.669 24.247 320 HG2 GLU 39 HG2 GLU 39 7.186 8.093 24.786 321 HG3 GLU 39 HG1 GLU 39 8.943 8.045 24.904 322 H LYS 40 HN LYS 40 6.567 3.498 25.703 323 HA LYS 40 HA LYS 40 7.996 1.395 24.345 324 HB2 LYS 40 HB2 LYS 40 6.017 1.153 26.649 325 HB3 LYS 40 HB1 LYS 40 7.140 -0.103 26.128 326 HG2 LYS 40 HG2 LYS 40 9.046 1.283 26.786 327 HG3 LYS 40 HG1 LYS 40 7.961 2.608 27.209 328 HD2 LYS 40 HD2 LYS 40 6.943 1.235 28.988 329 HD3 LYS 40 HD1 LYS 40 8.000 -0.117 28.564 330 HE2 LYS 40 HE2 LYS 40 9.970 1.186 29.230 331 HE3 LYS 40 HE1 LYS 40 8.958 2.594 29.560 332 HZ1 LYS 40 HZ1 LYS 40 9.548 1.400 31.566 333 HZ2 LYS 40 HZ2 LYS 40 8.800 -0.000 30.986 334 HZ3 LYS 40 HZ3 LYS 40 7.877 1.378 31.316 335 H GLU 41 HN GLU 41 4.479 1.830 24.981 336 HA GLU 41 HA GLU 41 3.373 -0.189 23.485 337 HB2 GLU 41 HB2 GLU 41 2.257 2.644 23.672 338 HB3 GLU 41 HB1 GLU 41 1.341 1.187 23.285 339 HG2 GLU 41 HG2 GLU 41 2.567 1.991 25.932 340 HG3 GLU 41 HG1 GLU 41 0.868 1.732 25.554 341 H LYS 42 HN LYS 42 4.311 2.981 22.392 342 HA LYS 42 HA LYS 42 3.698 2.774 19.632 343 HB2 LYS 42 HB2 LYS 42 4.323 4.952 20.635 344 HB3 LYS 42 HB1 LYS 42 5.951 4.358 20.959 345 HG2 LYS 42 HG2 LYS 42 6.219 4.044 18.436 346 HG3 LYS 42 HG1 LYS 42 4.696 4.916 18.247 347 HD2 LYS 42 HD2 LYS 42 7.193 6.011 19.598 348 HD3 LYS 42 HD1 LYS 42 6.713 6.355 17.935 349 HE2 LYS 42 HE2 LYS 42 4.687 7.472 18.717 350 HE3 LYS 42 HE1 LYS 42 5.068 7.049 20.388 351 HZ1 LYS 42 HZ1 LYS 42 5.667 9.313 19.855 352 HZ2 LYS 42 HZ2 LYS 42 6.721 8.784 18.645 353 HZ3 LYS 42 HZ3 LYS 42 7.025 8.408 20.270 354 H ALA 43 HN ALA 43 6.751 2.173 21.385 355 HA ALA 43 HA ALA 43 8.441 1.393 19.362 356 HB1 ALA 43 HB1 ALA 43 9.169 1.818 21.678 357 HB2 ALA 43 HB2 ALA 43 9.808 0.288 21.068 358 HB3 ALA 43 HB3 ALA 43 8.439 0.294 22.184 359 H THR 44 HN THR 44 6.423 -0.778 21.296 360 HA THR 44 HA THR 44 7.051 -3.216 20.030 361 HB THR 44 HB THR 44 4.558 -2.492 21.637 362 HG1 THR 44 HG1 THR 44 6.009 -2.206 23.147 363 HG21 THR 44 HG21 THR 44 4.482 -4.902 22.246 364 HG22 THR 44 HG22 THR 44 5.865 -5.223 21.199 365 HG23 THR 44 HG23 THR 44 4.331 -4.701 20.501 366 H LEU 45 HN LEU 45 4.264 -0.998 19.652 367 HA LEU 45 HA LEU 45 3.016 -2.249 17.509 368 HB2 LEU 45 HB2 LEU 45 3.241 0.683 18.165 369 HB3 LEU 45 HB1 LEU 45 2.572 0.215 16.610 370 HG LEU 45 HG LEU 45 1.428 -0.468 19.341 371 HD11 LEU 45 HD11 LEU 45 0.967 1.808 18.632 372 HD12 LEU 45 HD12 LEU 45 -0.504 0.840 18.578 373 HD13 LEU 45 HD13 LEU 45 0.349 1.229 17.081 374 HD21 LEU 45 HD21 LEU 45 0.479 -1.408 16.614 375 HD22 LEU 45 HD22 LEU 45 -0.415 -1.595 18.125 376 HD23 LEU 45 HD23 LEU 45 1.126 -2.420 17.911 377 H GLU 46 HN GLU 46 5.802 0.037 17.245 378 HA GLU 46 HA GLU 46 6.067 -0.089 14.443 379 HB2 GLU 46 HB2 GLU 46 8.219 0.548 16.501 380 HB3 GLU 46 HB1 GLU 46 8.261 0.963 14.783 381 HG2 GLU 46 HG2 GLU 46 6.325 2.426 15.073 382 HG3 GLU 46 HG1 GLU 46 6.225 1.992 16.774 383 H ALA 47 HN ALA 47 7.066 -2.194 16.916 384 HA ALA 47 HA ALA 47 9.324 -3.488 15.577 385 HB1 ALA 47 HB1 ALA 47 9.356 -5.006 17.539 386 HB2 ALA 47 HB2 ALA 47 7.851 -4.281 18.117 387 HB3 ALA 47 HB3 ALA 47 9.321 -3.311 18.034 388 H GLU 48 HN GLU 48 6.118 -4.396 16.619 389 HA GLU 48 HA GLU 48 5.578 -6.752 15.327 390 HB2 GLU 48 HB2 GLU 48 4.192 -5.620 17.093 391 HB3 GLU 48 HB1 GLU 48 3.722 -4.405 15.922 392 HG2 GLU 48 HG2 GLU 48 1.868 -5.761 15.943 393 HG3 GLU 48 HG1 GLU 48 2.758 -6.402 14.566 394 H ILE 49 HN ILE 49 4.493 -3.552 14.313 395 HA ILE 49 HA ILE 49 3.300 -4.434 11.945 396 HB ILE 49 HB ILE 49 2.959 -2.151 11.199 397 HG12 ILE 49 HG12 ILE 49 4.898 -1.303 13.406 398 HG13 ILE 49 HG11 ILE 49 5.155 -1.120 11.675 399 HG21 ILE 49 HG21 ILE 49 2.550 -2.401 14.196 400 HG22 ILE 49 HG22 ILE 49 1.475 -3.020 12.943 401 HG23 ILE 49 HG23 ILE 49 1.695 -1.282 13.132 402 HD11 ILE 49 HD11 ILE 49 3.089 0.301 13.345 403 HD12 ILE 49 HD12 ILE 49 3.289 0.480 11.599 404 HD13 ILE 49 HD13 ILE 49 4.577 0.986 12.693 405 H ALA 50 HN ALA 50 6.605 -2.857 12.244 406 HA ALA 50 HA ALA 50 7.304 -3.195 9.571 407 HB1 ALA 50 HB1 ALA 50 9.602 -2.851 10.340 408 HB2 ALA 50 HB2 ALA 50 9.102 -3.155 12.007 409 HB3 ALA 50 HB3 ALA 50 8.485 -1.745 11.146 410 H ARG 51 HN ARG 51 7.688 -5.470 12.272 411 HA ARG 51 HA ARG 51 9.147 -7.507 10.952 412 HB2 ARG 51 HB2 ARG 51 8.601 -7.401 13.459 413 HB3 ARG 51 HB1 ARG 51 7.024 -8.068 13.071 414 HG2 ARG 51 HG2 ARG 51 8.480 -9.849 13.847 415 HG3 ARG 51 HG1 ARG 51 8.133 -10.096 12.131 416 HD2 ARG 51 HD2 ARG 51 10.324 -9.058 11.568 417 HD3 ARG 51 HD1 ARG 51 10.668 -8.888 13.292 418 HE ARG 51 HE ARG 51 10.144 -11.568 12.925 419 HH11 ARG 51 HH11 ARG 51 12.459 -9.309 11.549 420 HH12 ARG 51 HH12 ARG 51 13.687 -10.516 11.354 421 HH21 ARG 51 HH21 ARG 51 11.791 -13.130 12.639 422 HH22 ARG 51 HH22 ARG 51 13.314 -12.654 11.956 423 H LEU 52 HN LEU 52 5.674 -7.152 11.337 424 HA LEU 52 HA LEU 52 4.692 -9.096 9.611 425 HB2 LEU 52 HB2 LEU 52 3.575 -6.473 10.615 426 HB3 LEU 52 HB1 LEU 52 2.738 -7.261 9.296 427 HG LEU 52 HG LEU 52 1.667 -7.798 11.422 428 HD11 LEU 52 HD11 LEU 52 1.581 -10.229 11.246 429 HD12 LEU 52 HD12 LEU 52 3.059 -10.238 10.279 430 HD13 LEU 52 HD13 LEU 52 1.591 -9.485 9.650 431 HD21 LEU 52 HD21 LEU 52 2.776 -9.137 13.154 432 HD22 LEU 52 HD22 LEU 52 3.562 -7.577 12.942 433 HD23 LEU 52 HD23 LEU 52 4.303 -9.033 12.271 434 H ARG 53 HN ARG 53 5.762 -5.714 8.883 435 HA ARG 53 HA ARG 53 5.116 -5.988 6.109 436 HB2 ARG 53 HB2 ARG 53 6.305 -3.775 7.786 437 HB3 ARG 53 HB1 ARG 53 6.185 -3.651 6.032 438 HG2 ARG 53 HG2 ARG 53 3.775 -3.774 6.113 439 HG3 ARG 53 HG1 ARG 53 3.781 -4.120 7.845 440 HD2 ARG 53 HD2 ARG 53 3.205 -1.762 7.368 441 HD3 ARG 53 HD1 ARG 53 4.698 -1.888 8.309 442 HE ARG 53 HE ARG 53 4.652 -1.469 5.374 443 HH11 ARG 53 HH11 ARG 53 5.998 -0.619 8.500 444 HH12 ARG 53 HH12 ARG 53 7.092 0.548 7.836 445 HH21 ARG 53 HH21 ARG 53 6.102 0.025 4.521 446 HH22 ARG 53 HH22 ARG 53 7.168 0.898 5.576 447 H GLU 54 HN GLU 54 7.832 -7.050 7.896 448 HA GLU 54 HA GLU 54 9.388 -7.094 5.381 449 HB2 GLU 54 HB2 GLU 54 11.266 -7.916 6.573 450 HB3 GLU 54 HB1 GLU 54 10.596 -6.604 7.539 451 HG2 GLU 54 HG2 GLU 54 9.609 -8.200 9.084 452 HG3 GLU 54 HG1 GLU 54 10.125 -9.550 8.076 453 H VAL 55 HN VAL 55 7.304 -9.083 7.331 454 HA VAL 55 HA VAL 55 7.545 -11.460 5.668 455 HB VAL 55 HB VAL 55 5.123 -10.514 7.296 456 HG11 VAL 55 HG11 VAL 55 4.357 -12.874 7.204 457 HG12 VAL 55 HG12 VAL 55 5.730 -13.276 6.170 458 HG13 VAL 55 HG13 VAL 55 4.487 -12.169 5.591 459 HG21 VAL 55 HG21 VAL 55 5.878 -12.063 9.071 460 HG22 VAL 55 HG22 VAL 55 7.109 -10.843 8.743 461 HG23 VAL 55 HG23 VAL 55 7.305 -12.478 8.115 462 H HIS 56 HN HIS 56 6.170 -8.297 5.466 463 HA HIS 56 HA HIS 56 4.912 -8.881 2.859 464 HB2 HIS 56 HB2 HIS 56 4.263 -6.675 4.850 465 HB3 HIS 56 HB1 HIS 56 3.782 -6.586 3.165 466 HD1 HIS 56 HD1 HIS 56 1.534 -7.500 2.674 467 HD2 HIS 56 HD2 HIS 56 3.108 -9.104 6.170 468 HE1 HIS 56 HE1 HIS 56 -0.321 -8.859 3.687 469 HE2 HIS 56 HE2 HIS 56 0.601 -9.649 5.890 470 H SER 57 HN SER 57 7.760 -8.636 3.396 471 HA SER 57 HA SER 57 8.234 -6.757 1.176 472 HB2 SER 57 HB2 SER 57 9.985 -6.961 3.652 473 HB3 SER 57 HB1 SER 57 10.584 -6.319 2.119 474 HG SER 57 HG SER 57 8.187 -5.298 3.142 475 H GLN 58 HN GLN 58 9.627 -9.458 3.092 476 HA GLN 58 HA GLN 58 10.981 -10.810 1.027 477 HB2 GLN 58 HB2 GLN 58 9.465 -11.998 3.406 478 HB3 GLN 58 HB1 GLN 58 10.641 -12.872 2.422 479 HG2 GLN 58 HG2 GLN 58 12.446 -11.470 3.204 480 HG3 GLN 58 HG1 GLN 58 11.320 -10.372 4.000 481 HE21 GLN 58 HE21 GLN 58 12.185 -10.566 6.040 482 HE22 GLN 58 HE22 GLN 58 12.130 -12.022 6.969 483 H LYS 59 HN LYS 59 7.590 -10.839 2.070 484 HA LYS 59 HA LYS 59 6.796 -11.593 -0.670 485 HB2 LYS 59 HB2 LYS 59 5.364 -12.256 1.948 486 HB3 LYS 59 HB1 LYS 59 4.596 -12.377 0.382 487 HG2 LYS 59 HG2 LYS 59 5.202 -14.582 0.836 488 HG3 LYS 59 HG1 LYS 59 6.488 -14.035 -0.231 489 HD2 LYS 59 HD2 LYS 59 7.378 -15.375 1.616 490 HD3 LYS 59 HD1 LYS 59 7.979 -13.719 1.713 491 HE2 LYS 59 HE2 LYS 59 6.397 -13.198 3.492 492 HE3 LYS 59 HE1 LYS 59 5.630 -14.780 3.328 493 HZ1 LYS 59 HZ1 LYS 59 7.657 -15.812 4.079 494 HZ2 LYS 59 HZ2 LYS 59 7.156 -14.663 5.210 495 HZ3 LYS 59 HZ3 LYS 59 8.438 -14.317 4.165 496 H LEU 60 HN LEU 60 7.084 -9.306 -1.090 497 HA LEU 60 HA LEU 60 6.471 -7.110 0.342 498 HB2 LEU 60 HB2 LEU 60 7.637 -7.152 -1.861 499 HB3 LEU 60 HB1 LEU 60 6.086 -7.254 -2.668 500 HG LEU 60 HG LEU 60 6.718 -4.867 -0.880 501 HD11 LEU 60 HD11 LEU 60 7.601 -3.605 -2.808 502 HD12 LEU 60 HD12 LEU 60 7.553 -5.076 -3.789 503 HD13 LEU 60 HD13 LEU 60 8.626 -4.982 -2.393 504 HD21 LEU 60 HD21 LEU 60 4.395 -5.027 -1.654 505 HD22 LEU 60 HD22 LEU 60 4.933 -5.088 -3.333 506 HD23 LEU 60 HD23 LEU 60 5.193 -3.629 -2.372 507 H SER 61 HN SER 61 4.226 -8.315 -2.060 508 HA SER 61 HA SER 61 1.856 -8.090 -0.522 509 HB2 SER 61 HB2 SER 61 2.192 -5.622 -1.012 510 HB3 SER 61 HB1 SER 61 2.202 -5.988 -2.735 511 HG SER 61 HG SER 61 0.067 -6.249 -0.895 512 H LYS 62 HN LYS 62 0.079 -9.040 -1.828 513 HA LYS 62 HA LYS 62 0.906 -11.366 -2.943 514 HB2 LYS 62 HB2 LYS 62 -1.700 -9.914 -3.517 515 HB3 LYS 62 HB1 LYS 62 -1.412 -11.601 -3.945 516 HG2 LYS 62 HG2 LYS 62 -1.066 -12.135 -1.549 517 HG3 LYS 62 HG1 LYS 62 -1.377 -10.454 -1.126 518 HD2 LYS 62 HD2 LYS 62 -3.419 -12.172 -2.582 519 HD3 LYS 62 HD1 LYS 62 -3.317 -12.119 -0.824 520 HE2 LYS 62 HE2 LYS 62 -5.055 -10.605 -1.495 521 HE3 LYS 62 HE1 LYS 62 -3.696 -9.626 -0.953 522 HZ1 LYS 62 HZ1 LYS 62 -4.337 -10.216 -3.787 523 HZ2 LYS 62 HZ2 LYS 62 -3.140 -9.165 -3.221 524 HZ3 LYS 62 HZ3 LYS 62 -4.770 -8.800 -2.973 525 H GLU 63 HN GLU 63 -0.796 -9.329 -5.254 526 HA GLU 63 HA GLU 63 0.166 -10.310 -7.611 527 HB2 GLU 63 HB2 GLU 63 -1.686 -8.652 -7.492 528 HB3 GLU 63 HB1 GLU 63 -0.518 -7.371 -7.224 529 HG2 GLU 63 HG2 GLU 63 -1.311 -7.437 -9.568 530 HG3 GLU 63 HG1 GLU 63 0.430 -7.684 -9.442 531 H ALA 64 HN ALA 64 1.835 -7.661 -5.781 532 HA ALA 64 HA ALA 64 3.864 -7.079 -7.702 533 HB1 ALA 64 HB1 ALA 64 4.068 -6.844 -4.658 534 HB2 ALA 64 HB2 ALA 64 3.373 -5.625 -5.729 535 HB3 ALA 64 HB3 ALA 64 5.093 -6.014 -5.838 536 H GLN 65 HN GLN 65 3.865 -9.177 -4.891 537 HA GLN 65 HA GLN 65 6.447 -10.328 -5.055 538 HB2 GLN 65 HB2 GLN 65 4.786 -10.372 -3.076 539 HB3 GLN 65 HB1 GLN 65 3.984 -11.702 -3.891 540 HG2 GLN 65 HG2 GLN 65 6.914 -11.802 -3.131 541 HG3 GLN 65 HG1 GLN 65 5.640 -12.261 -2.016 542 HE21 GLN 65 HE21 GLN 65 7.834 -13.831 -3.163 543 HE22 GLN 65 HE22 GLN 65 7.087 -15.194 -3.923 544 H LYS 66 HN LYS 66 3.478 -10.999 -6.789 545 HA LYS 66 HA LYS 66 4.252 -13.530 -7.934 546 HB2 LYS 66 HB2 LYS 66 1.954 -13.274 -7.448 547 HB3 LYS 66 HB1 LYS 66 1.884 -11.673 -8.174 548 HG2 LYS 66 HG2 LYS 66 1.948 -12.551 -10.381 549 HG3 LYS 66 HG1 LYS 66 2.356 -14.175 -9.809 550 HD2 LYS 66 HD2 LYS 66 0.170 -14.547 -8.947 551 HD3 LYS 66 HD1 LYS 66 -0.230 -12.829 -8.966 552 HE2 LYS 66 HE2 LYS 66 0.257 -14.425 -11.485 553 HE3 LYS 66 HE1 LYS 66 -1.340 -14.233 -10.756 554 HZ1 LYS 66 HZ1 LYS 66 -0.916 -12.613 -12.499 555 HZ2 LYS 66 HZ2 LYS 66 0.407 -12.004 -11.634 556 HZ3 LYS 66 HZ3 LYS 66 -1.149 -11.867 -11.000 557 H LEU 67 HN LEU 67 3.703 -10.292 -9.210 558 HA LEU 67 HA LEU 67 4.918 -10.269 -11.663 559 HB2 LEU 67 HB2 LEU 67 5.451 -8.133 -9.554 560 HB3 LEU 67 HB1 LEU 67 5.750 -7.947 -11.273 561 HG LEU 67 HG LEU 67 3.013 -8.261 -9.968 562 HD11 LEU 67 HD11 LEU 67 4.250 -5.822 -11.284 563 HD12 LEU 67 HD12 LEU 67 4.004 -6.051 -9.551 564 HD13 LEU 67 HD13 LEU 67 2.613 -5.936 -10.627 565 HD21 LEU 67 HD21 LEU 67 3.649 -7.817 -12.905 566 HD22 LEU 67 HD22 LEU 67 2.041 -7.834 -12.179 567 HD23 LEU 67 HD23 LEU 67 3.009 -9.304 -12.195 568 H MET 68 HN MET 68 6.504 -10.366 -8.602 569 HA MET 68 HA MET 68 9.255 -10.408 -9.508 570 HB2 MET 68 HB2 MET 68 8.137 -11.291 -6.819 571 HB3 MET 68 HB1 MET 68 9.854 -11.127 -7.180 572 HG2 MET 68 HG2 MET 68 9.482 -8.717 -7.636 573 HG3 MET 68 HG1 MET 68 7.797 -8.912 -7.161 574 HE1 MET 68 HE1 MET 68 9.355 -6.917 -4.142 575 HE2 MET 68 HE2 MET 68 8.056 -6.946 -5.335 576 HE3 MET 68 HE3 MET 68 9.729 -6.741 -5.857 577 H LYS 69 HN LYS 69 6.902 -12.926 -8.865 578 HA LYS 69 HA LYS 69 8.845 -15.008 -9.833 579 HB2 LYS 69 HB2 LYS 69 7.545 -16.704 -8.641 580 HB3 LYS 69 HB1 LYS 69 7.999 -15.409 -7.534 581 HG2 LYS 69 HG2 LYS 69 5.727 -14.459 -7.745 582 HG3 LYS 69 HG1 LYS 69 5.277 -15.777 -8.825 583 HD2 LYS 69 HD2 LYS 69 5.693 -17.394 -6.972 584 HD3 LYS 69 HD1 LYS 69 6.084 -16.039 -5.906 585 HE2 LYS 69 HE2 LYS 69 3.770 -15.140 -6.293 586 HE3 LYS 69 HE1 LYS 69 3.409 -16.589 -7.236 587 HZ1 LYS 69 HZ1 LYS 69 4.218 -16.559 -4.385 588 HZ2 LYS 69 HZ2 LYS 69 3.787 -17.924 -5.286 589 HZ3 LYS 69 HZ3 LYS 69 2.634 -16.735 -4.945 590 H MET 70 HN MET 70 7.137 -13.230 -11.568 591 HA MET 70 HA MET 70 4.971 -14.647 -12.718 592 HB2 MET 70 HB2 MET 70 6.584 -12.252 -13.502 593 HB3 MET 70 HB1 MET 70 5.769 -13.069 -14.831 594 HG2 MET 70 HG2 MET 70 4.412 -11.990 -12.353 595 HG3 MET 70 HG1 MET 70 4.435 -11.224 -13.938 596 HE1 MET 70 HE1 MET 70 1.957 -11.066 -14.563 597 HE2 MET 70 HE2 MET 70 1.643 -11.423 -12.863 598 HE3 MET 70 HE3 MET 70 0.761 -12.291 -14.120 599 HA PRO 71 HA PRO 71 7.080 -17.403 -15.573 600 HB2 PRO 71 HB2 PRO 71 5.136 -17.867 -17.434 601 HB3 PRO 71 HB1 PRO 71 5.123 -18.603 -15.824 602 HG2 PRO 71 HG2 PRO 71 3.551 -16.280 -16.859 603 HG3 PRO 71 HG1 PRO 71 3.062 -17.546 -15.717 604 HD2 PRO 71 HD2 PRO 71 3.859 -14.976 -14.992 605 HD3 PRO 71 HD1 PRO 71 3.886 -16.379 -13.907 606 H PHE 72 HN PHE 72 5.060 -15.237 -17.770 607 HA PHE 72 HA PHE 72 7.444 -15.172 -19.537 608 HB2 PHE 72 HB2 PHE 72 4.483 -14.673 -20.159 609 HB3 PHE 72 HB1 PHE 72 5.791 -14.627 -21.332 610 HD1 PHE 72 HD1 PHE 72 6.851 -16.731 -22.121 611 HD2 PHE 72 HD2 PHE 72 3.601 -16.803 -19.350 612 HE1 PHE 72 HE1 PHE 72 6.501 -19.123 -22.588 613 HE2 PHE 72 HE2 PHE 72 3.256 -19.194 -19.828 614 HZ PHE 72 HZ PHE 72 4.706 -20.357 -21.444 615 H GLN 73 HN GLN 73 8.521 -13.202 -19.168 616 HA GLN 73 HA GLN 73 7.001 -10.709 -18.896 617 HB2 GLN 73 HB2 GLN 73 7.896 -10.014 -16.781 618 HB3 GLN 73 HB1 GLN 73 7.250 -11.628 -16.531 619 HG2 GLN 73 HG2 GLN 73 10.198 -11.008 -16.941 620 HG3 GLN 73 HG1 GLN 73 9.427 -11.181 -15.368 621 HE21 GLN 73 HE21 GLN 73 8.800 -13.229 -14.674 622 HE22 GLN 73 HE22 GLN 73 9.353 -14.684 -15.428 623 H ARG 74 HN ARG 74 8.407 -8.773 -18.909 624 HA ARG 74 HA ARG 74 11.237 -8.888 -19.203 625 HB2 ARG 74 HB2 ARG 74 11.445 -8.137 -21.530 626 HB3 ARG 74 HB1 ARG 74 10.593 -9.678 -21.506 627 HG2 ARG 74 HG2 ARG 74 8.485 -8.611 -21.912 628 HG3 ARG 74 HG1 ARG 74 9.170 -7.011 -21.654 629 HD2 ARG 74 HD2 ARG 74 10.604 -7.399 -23.706 630 HD3 ARG 74 HD1 ARG 74 9.657 -8.871 -23.991 631 HE ARG 74 HE ARG 74 7.922 -6.684 -23.602 632 HH11 ARG 74 HH11 ARG 74 10.156 -7.840 -26.044 633 HH12 ARG 74 HH12 ARG 74 9.269 -7.115 -27.342 634 HH21 ARG 74 HH21 ARG 74 6.822 -5.720 -25.315 635 HH22 ARG 74 HH22 ARG 74 7.411 -5.905 -26.933 636 H ALA 75 HN ALA 75 11.886 -6.505 -20.133 637 HA ALA 75 HA ALA 75 10.250 -4.487 -18.829 638 HB1 ALA 75 HB1 ALA 75 11.969 -2.898 -19.414 639 HB2 ALA 75 HB2 ALA 75 12.731 -4.054 -20.518 640 HB3 ALA 75 HB3 ALA 75 12.715 -4.366 -18.779 641 H ILE 76 HN ILE 76 10.207 -2.381 -20.129 642 HA ILE 76 HA ILE 76 8.796 -2.742 -22.716 643 HB ILE 76 HB ILE 76 7.338 -1.154 -20.560 644 HG12 ILE 76 HG12 ILE 76 7.179 -3.598 -20.046 645 HG13 ILE 76 HG11 ILE 76 5.624 -2.930 -20.508 646 HG21 ILE 76 HG21 ILE 76 5.495 -1.039 -22.213 647 HG22 ILE 76 HG22 ILE 76 6.473 -1.934 -23.381 648 HG23 ILE 76 HG23 ILE 76 6.973 -0.321 -22.860 649 HD11 ILE 76 HD11 ILE 76 7.414 -4.576 -22.308 650 HD12 ILE 76 HD12 ILE 76 5.801 -3.974 -22.703 651 HD13 ILE 76 HD13 ILE 76 6.011 -5.169 -21.422 652 H THR 77 HN THR 77 10.072 -1.606 -23.920 653 HA THR 77 HA THR 77 11.341 0.889 -23.110 654 HB THR 77 HB THR 77 12.515 0.631 -25.315 655 HG1 THR 77 HG1 THR 77 12.037 -1.338 -26.498 656 HG21 THR 77 HG21 THR 77 12.447 -1.950 -23.697 657 HG22 THR 77 HG22 THR 77 13.456 -0.541 -23.344 658 HG23 THR 77 HG23 THR 77 13.721 -1.473 -24.820 659 H LYS 78 HN LYS 78 11.210 2.819 -24.565 660 HA LYS 78 HA LYS 78 8.678 3.754 -25.285 661 HB2 LYS 78 HB2 LYS 78 11.335 4.548 -26.542 662 HB3 LYS 78 HB1 LYS 78 9.837 5.469 -26.677 663 HG2 LYS 78 HG2 LYS 78 9.872 5.879 -24.243 664 HG3 LYS 78 HG1 LYS 78 11.364 4.946 -24.102 665 HD2 LYS 78 HD2 LYS 78 11.865 7.355 -24.124 666 HD3 LYS 78 HD1 LYS 78 12.531 6.578 -25.564 667 HE2 LYS 78 HE2 LYS 78 10.536 7.367 -26.855 668 HE3 LYS 78 HE1 LYS 78 9.969 8.215 -25.417 669 HZ1 LYS 78 HZ1 LYS 78 11.112 9.695 -26.901 670 HZ2 LYS 78 HZ2 LYS 78 12.498 8.733 -26.868 671 HZ3 LYS 78 HZ3 LYS 78 11.995 9.537 -25.469 672 H LYS 79 HN LYS 79 11.144 2.475 -27.323 673 HA LYS 79 HA LYS 79 10.224 1.909 -29.789 674 HB2 LYS 79 HB2 LYS 79 12.349 0.987 -28.982 675 HB3 LYS 79 HB1 LYS 79 11.506 -0.122 -27.923 676 HG2 LYS 79 HG2 LYS 79 12.214 -1.505 -29.648 677 HG3 LYS 79 HG1 LYS 79 10.542 -1.179 -30.098 678 HD2 LYS 79 HD2 LYS 79 12.915 0.351 -31.246 679 HD3 LYS 79 HD1 LYS 79 12.275 -1.113 -31.983 680 HE2 LYS 79 HE2 LYS 79 10.786 1.511 -31.619 681 HE3 LYS 79 HE1 LYS 79 11.420 0.859 -33.133 682 HZ1 LYS 79 HZ1 LYS 79 9.264 -0.315 -31.469 683 HZ2 LYS 79 HZ2 LYS 79 9.906 -1.030 -32.862 684 HZ3 LYS 79 HZ3 LYS 79 9.088 0.441 -32.967 685 H GLU 80 HN GLU 80 9.219 -0.060 -26.951 686 HA GLU 80 HA GLU 80 7.119 -1.461 -28.431 687 HB2 GLU 80 HB2 GLU 80 7.962 -1.648 -25.505 688 HB3 GLU 80 HB1 GLU 80 6.808 -2.711 -26.310 689 HG2 GLU 80 HG2 GLU 80 9.770 -2.466 -26.899 690 HG3 GLU 80 HG1 GLU 80 8.958 -3.826 -26.130 691 H GLN 81 HN GLN 81 7.335 1.355 -26.293 692 HA GLN 81 HA GLN 81 4.575 1.462 -25.695 693 HB2 GLN 81 HB2 GLN 81 6.774 3.540 -25.466 694 HB3 GLN 81 HB1 GLN 81 5.151 3.755 -24.818 695 HG2 GLN 81 HG2 GLN 81 5.471 1.966 -23.235 696 HG3 GLN 81 HG1 GLN 81 7.003 1.510 -23.975 697 HE21 GLN 81 HE21 GLN 81 8.205 1.793 -22.103 698 HE22 GLN 81 HE22 GLN 81 8.512 3.339 -21.402 699 H ALA 82 HN ALA 82 6.258 2.361 -28.603 700 HA ALA 82 HA ALA 82 4.523 4.599 -29.248 701 HB1 ALA 82 HB1 ALA 82 5.778 4.554 -31.393 702 HB2 ALA 82 HB2 ALA 82 6.624 3.093 -30.863 703 HB3 ALA 82 HB3 ALA 82 6.862 4.614 -30.001 704 H ASP 83 HN ASP 83 4.755 1.184 -29.608 705 HA ASP 83 HA ASP 83 2.239 1.036 -31.166 706 HB2 ASP 83 HB2 ASP 83 4.505 -1.015 -30.896 707 HB3 ASP 83 HB1 ASP 83 2.977 -1.327 -31.710 708 H MET 84 HN MET 84 1.887 1.721 -28.591 709 HA MET 84 HA MET 84 1.867 -0.334 -26.700 710 HB2 MET 84 HB2 MET 84 1.361 2.349 -26.578 711 HB3 MET 84 HB1 MET 84 -0.291 1.752 -26.465 712 HG2 MET 84 HG2 MET 84 0.668 2.075 -24.253 713 HG3 MET 84 HG1 MET 84 0.384 0.345 -24.537 714 HE1 MET 84 HE1 MET 84 2.083 -0.799 -23.024 715 HE2 MET 84 HE2 MET 84 2.305 0.760 -22.224 716 HE3 MET 84 HE3 MET 84 3.706 -0.196 -22.709 717 H GLY 85 HN GLY 85 -0.547 0.678 -29.006 718 HA2 GLY 85 HA2 GLY 85 -2.664 -1.020 -28.385 719 HA3 GLY 85 HA1 GLY 85 -2.317 -0.428 -30.004 720 H LYS 86 HN LYS 86 -0.069 -1.590 -30.724 721 HA LYS 86 HA LYS 86 -0.821 -4.189 -31.527 722 HB2 LYS 86 HB2 LYS 86 0.594 -2.648 -32.852 723 HB3 LYS 86 HB1 LYS 86 1.861 -2.734 -31.639 724 HG2 LYS 86 HG2 LYS 86 2.240 -5.110 -32.174 725 HG3 LYS 86 HG1 LYS 86 0.939 -5.054 -33.370 726 HD2 LYS 86 HD2 LYS 86 3.493 -3.391 -33.474 727 HD3 LYS 86 HD1 LYS 86 3.216 -4.867 -34.397 728 HE2 LYS 86 HE2 LYS 86 1.353 -3.787 -35.592 729 HE3 LYS 86 HE1 LYS 86 1.590 -2.312 -34.649 730 HZ1 LYS 86 HZ1 LYS 86 3.583 -3.515 -36.495 731 HZ2 LYS 86 HZ2 LYS 86 3.781 -2.081 -35.624 732 HZ3 LYS 86 HZ3 LYS 86 2.610 -2.179 -36.839 733 H LEU 87 HN LEU 87 1.652 -3.056 -29.259 734 HA LEU 87 HA LEU 87 2.740 -5.422 -28.336 735 HB2 LEU 87 HB2 LEU 87 3.805 -3.358 -27.747 736 HB3 LEU 87 HB1 LEU 87 2.350 -2.728 -27.003 737 HG LEU 87 HG LEU 87 2.610 -4.402 -25.155 738 HD11 LEU 87 HD11 LEU 87 4.769 -5.560 -24.860 739 HD12 LEU 87 HD12 LEU 87 5.267 -5.038 -26.470 740 HD13 LEU 87 HD13 LEU 87 3.891 -6.136 -26.281 741 HD21 LEU 87 HD21 LEU 87 3.400 -2.107 -24.841 742 HD22 LEU 87 HD22 LEU 87 4.969 -2.526 -25.535 743 HD23 LEU 87 HD23 LEU 87 4.456 -3.246 -24.007 744 H LYS 88 HN LYS 88 0.104 -3.570 -26.718 745 HA LYS 88 HA LYS 88 -0.516 -5.599 -24.843 746 HB2 LYS 88 HB2 LYS 88 -2.016 -3.117 -25.737 747 HB3 LYS 88 HB1 LYS 88 -2.610 -4.175 -24.456 748 HG2 LYS 88 HG2 LYS 88 -0.442 -3.790 -23.233 749 HG3 LYS 88 HG1 LYS 88 -0.035 -2.577 -24.455 750 HD2 LYS 88 HD2 LYS 88 -1.979 -1.246 -23.841 751 HD3 LYS 88 HD1 LYS 88 -2.537 -2.499 -22.727 752 HE2 LYS 88 HE2 LYS 88 -0.486 -2.150 -21.368 753 HE3 LYS 88 HE1 LYS 88 -0.019 -0.836 -22.458 754 HZ1 LYS 88 HZ1 LYS 88 -2.053 0.321 -21.861 755 HZ2 LYS 88 HZ2 LYS 88 -1.123 -0.002 -20.485 756 HZ3 LYS 88 HZ3 LYS 88 -2.490 -0.940 -20.821 757 H LYS 89 HN LYS 89 -1.579 -5.161 -28.110 758 HA LYS 89 HA LYS 89 -4.210 -6.187 -28.032 759 HB2 LYS 89 HB2 LYS 89 -3.259 -5.056 -30.044 760 HB3 LYS 89 HB1 LYS 89 -2.191 -6.427 -30.320 761 HG2 LYS 89 HG2 LYS 89 -4.261 -7.860 -30.599 762 HG3 LYS 89 HG1 LYS 89 -5.224 -6.386 -30.531 763 HD2 LYS 89 HD2 LYS 89 -4.904 -7.006 -32.857 764 HD3 LYS 89 HD1 LYS 89 -3.984 -5.533 -32.534 765 HE2 LYS 89 HE2 LYS 89 -1.910 -6.813 -32.414 766 HE3 LYS 89 HE1 LYS 89 -2.791 -8.332 -32.578 767 HZ1 LYS 89 HZ1 LYS 89 -3.484 -7.641 -34.777 768 HZ2 LYS 89 HZ2 LYS 89 -1.802 -7.658 -34.655 769 HZ3 LYS 89 HZ3 LYS 89 -2.637 -6.191 -34.616 770 H SER 90 HN SER 90 -1.210 -7.811 -28.957 771 HA SER 90 HA SER 90 -2.087 -10.411 -29.322 772 HB2 SER 90 HB2 SER 90 0.636 -9.397 -28.391 773 HB3 SER 90 HB1 SER 90 0.343 -10.955 -29.157 774 HG SER 90 HG SER 90 0.708 -9.875 -30.926 775 H VAL 91 HN VAL 91 -0.592 -8.961 -26.448 776 HA VAL 91 HA VAL 91 -0.349 -11.437 -25.019 777 HB VAL 91 HB VAL 91 -0.154 -8.760 -23.608 778 HG11 VAL 91 HG11 VAL 91 1.510 -11.298 -23.407 779 HG12 VAL 91 HG12 VAL 91 0.248 -10.792 -22.285 780 HG13 VAL 91 HG13 VAL 91 1.729 -9.844 -22.422 781 HG21 VAL 91 HG21 VAL 91 0.949 -8.321 -25.732 782 HG22 VAL 91 HG22 VAL 91 1.918 -9.782 -25.573 783 HG23 VAL 91 HG23 VAL 91 2.157 -8.440 -24.451 784 H ARG 92 HN ARG 92 -2.424 -8.595 -24.696 785 HA ARG 92 HA ARG 92 -4.408 -8.119 -23.785 786 HB2 ARG 92 HB2 ARG 92 -5.163 -10.353 -24.676 787 HB3 ARG 92 HB1 ARG 92 -4.771 -11.064 -23.116 788 HG2 ARG 92 HG2 ARG 92 -6.429 -9.399 -22.086 789 HG3 ARG 92 HG1 ARG 92 -6.922 -9.016 -23.738 790 HD2 ARG 92 HD2 ARG 92 -8.465 -10.629 -22.841 791 HD3 ARG 92 HD1 ARG 92 -7.480 -11.440 -24.064 792 HE ARG 92 HE ARG 92 -6.454 -11.695 -21.376 793 HH11 ARG 92 HH11 ARG 92 -8.620 -13.173 -23.725 794 HH12 ARG 92 HH12 ARG 92 -8.634 -14.700 -22.904 795 HH21 ARG 92 HH21 ARG 92 -6.512 -13.684 -20.324 796 HH22 ARG 92 HH22 ARG 92 -7.437 -14.989 -20.993 797 H GLY 93 HN GLY 93 -3.113 -10.745 -21.684 798 HA2 GLY 93 HA2 GLY 93 -3.802 -9.365 -19.232 799 HA3 GLY 93 HA1 GLY 93 -2.983 -10.908 -19.382 800 H LEU 94 HN LEU 94 -1.521 -8.478 -21.214 801 HA LEU 94 HA LEU 94 0.886 -8.379 -19.757 802 HB2 LEU 94 HB2 LEU 94 0.844 -7.939 -22.143 803 HB3 LEU 94 HB1 LEU 94 -0.156 -6.519 -21.913 804 HG LEU 94 HG LEU 94 1.675 -5.321 -20.870 805 HD11 LEU 94 HD11 LEU 94 2.742 -7.092 -19.598 806 HD12 LEU 94 HD12 LEU 94 3.930 -6.267 -20.599 807 HD13 LEU 94 HD13 LEU 94 3.323 -7.851 -21.086 808 HD21 LEU 94 HD21 LEU 94 3.251 -5.171 -22.738 809 HD22 LEU 94 HD22 LEU 94 1.590 -5.287 -23.316 810 HD23 LEU 94 HD23 LEU 94 2.645 -6.700 -23.384 811 H VAL 95 HN VAL 95 1.412 -7.302 -18.145 812 HA VAL 95 HA VAL 95 -0.209 -5.134 -16.897 813 HB VAL 95 HB VAL 95 1.819 -6.997 -15.531 814 HG11 VAL 95 HG11 VAL 95 -0.050 -4.936 -14.286 815 HG12 VAL 95 HG12 VAL 95 1.705 -4.798 -14.424 816 HG13 VAL 95 HG13 VAL 95 0.996 -6.045 -13.396 817 HG21 VAL 95 HG21 VAL 95 -0.124 -8.079 -14.435 818 HG22 VAL 95 HG22 VAL 95 -0.199 -8.249 -16.190 819 HG23 VAL 95 HG23 VAL 95 -1.223 -7.065 -15.377 820 H VAL 96 HN VAL 96 0.835 -3.096 -16.969 821 HA VAL 96 HA VAL 96 3.688 -3.037 -17.777 822 HB VAL 96 HB VAL 96 1.513 -1.242 -18.968 823 HG11 VAL 96 HG11 VAL 96 3.274 -0.481 -20.511 824 HG12 VAL 96 HG12 VAL 96 4.452 -1.514 -19.698 825 HG13 VAL 96 HG13 VAL 96 3.714 -0.163 -18.834 826 HG21 VAL 96 HG21 VAL 96 1.810 -2.441 -21.096 827 HG22 VAL 96 HG22 VAL 96 1.246 -3.536 -19.833 828 HG23 VAL 96 HG23 VAL 96 2.940 -3.559 -20.324 829 H VAL 97 HN VAL 97 4.634 -2.095 -16.086 830 HA VAL 97 HA VAL 97 3.183 -0.175 -14.360 831 HB VAL 97 HB VAL 97 5.765 -1.711 -13.795 832 HG11 VAL 97 HG11 VAL 97 5.499 0.279 -12.390 833 HG12 VAL 97 HG12 VAL 97 5.332 -1.184 -11.421 834 HG13 VAL 97 HG13 VAL 97 3.897 -0.263 -11.883 835 HG21 VAL 97 HG21 VAL 97 4.421 -3.313 -12.447 836 HG22 VAL 97 HG22 VAL 97 3.947 -3.342 -14.144 837 HG23 VAL 97 HG23 VAL 97 2.935 -2.507 -12.966 838 H HIS 98 HN HIS 98 3.738 1.989 -14.652 839 HA HIS 98 HA HIS 98 6.150 2.716 -16.152 840 HB2 HIS 98 HB2 HIS 98 3.898 3.687 -16.777 841 HB3 HIS 98 HB1 HIS 98 3.790 4.411 -15.189 842 HD2 HIS 98 HD2 HIS 98 5.265 5.159 -18.643 843 HE1 HIS 98 HE1 HIS 98 6.754 8.082 -15.996 844 HE2 HIS 98 HE2 HIS 98 6.442 7.445 -18.417 845 HA PRO 99 HA PRO 99 8.433 3.544 -12.376 846 HB2 PRO 99 HB2 PRO 99 9.980 5.754 -13.145 847 HB3 PRO 99 HB1 PRO 99 10.339 4.075 -13.563 848 HG2 PRO 99 HG2 PRO 99 8.887 6.158 -15.192 849 HG3 PRO 99 HG1 PRO 99 10.171 5.035 -15.699 850 HD2 PRO 99 HD2 PRO 99 7.631 4.492 -16.277 851 HD3 PRO 99 HD1 PRO 99 8.706 3.186 -15.729 852 H MET 100 HN MET 100 6.398 6.096 -13.668 853 HA MET 100 HA MET 100 6.682 7.717 -11.216 854 HB2 MET 100 HB2 MET 100 5.290 8.420 -13.822 855 HB3 MET 100 HB1 MET 100 5.457 9.488 -12.431 856 HG2 MET 100 HG2 MET 100 7.978 9.206 -12.723 857 HG3 MET 100 HG1 MET 100 7.609 8.502 -14.297 858 HE1 MET 100 HE1 MET 100 5.521 11.574 -15.847 859 HE2 MET 100 HE2 MET 100 4.835 10.374 -14.750 860 HE3 MET 100 HE3 MET 100 5.913 9.867 -16.052 861 H THR 101 HN THR 101 4.727 5.241 -12.241 862 HA THR 101 HA THR 101 2.196 6.068 -11.168 863 HB THR 101 HB THR 101 1.563 3.654 -11.125 864 HG1 THR 101 HG1 THR 101 3.860 2.736 -12.326 865 HG21 THR 101 HG21 THR 101 1.833 3.170 -13.556 866 HG22 THR 101 HG22 THR 101 2.975 4.511 -13.664 867 HG23 THR 101 HG23 THR 101 1.291 4.823 -13.245 868 H ALA 102 HN ALA 102 1.244 4.611 -9.294 869 HA ALA 102 HA ALA 102 2.443 5.280 -6.861 870 HB1 ALA 102 HB1 ALA 102 0.813 3.765 -5.818 871 HB2 ALA 102 HB2 ALA 102 0.463 3.031 -7.384 872 HB3 ALA 102 HB3 ALA 102 0.044 4.718 -7.090 873 H LEU 103 HN LEU 103 2.206 1.927 -8.273 874 HA LEU 103 HA LEU 103 4.011 0.736 -6.440 875 HB2 LEU 103 HB2 LEU 103 2.118 -0.343 -7.850 876 HB3 LEU 103 HB1 LEU 103 3.214 -0.250 -9.211 877 HG LEU 103 HG LEU 103 4.843 -1.714 -7.965 878 HD11 LEU 103 HD11 LEU 103 2.598 -2.043 -5.943 879 HD12 LEU 103 HD12 LEU 103 4.148 -1.247 -5.662 880 HD13 LEU 103 HD13 LEU 103 4.097 -2.976 -5.991 881 HD21 LEU 103 HD21 LEU 103 3.319 -2.673 -9.653 882 HD22 LEU 103 HD22 LEU 103 2.095 -2.945 -8.408 883 HD23 LEU 103 HD23 LEU 103 3.626 -3.819 -8.347 884 H GLY 104 HN GLY 104 4.277 1.704 -9.876 885 HA2 GLY 104 HA2 GLY 104 6.787 1.488 -10.568 886 HA3 GLY 104 HA1 GLY 104 5.898 2.962 -10.906 887 H ARG 105 HN ARG 105 5.826 4.131 -8.219 888 HA ARG 105 HA ARG 105 8.601 4.901 -7.979 889 HB2 ARG 105 HB2 ARG 105 6.091 5.865 -6.530 890 HB3 ARG 105 HB1 ARG 105 7.711 6.505 -6.255 891 HG2 ARG 105 HG2 ARG 105 7.748 7.214 -8.673 892 HG3 ARG 105 HG1 ARG 105 6.060 6.727 -8.789 893 HD2 ARG 105 HD2 ARG 105 5.474 8.337 -6.983 894 HD3 ARG 105 HD1 ARG 105 7.162 8.850 -6.910 895 HE ARG 105 HE ARG 105 6.487 9.279 -9.510 896 HH11 ARG 105 HH11 ARG 105 5.023 10.320 -6.475 897 HH12 ARG 105 HH12 ARG 105 4.458 11.821 -7.126 898 HH21 ARG 105 HH21 ARG 105 5.745 11.271 -10.332 899 HH22 ARG 105 HH22 ARG 105 4.851 12.351 -9.310 900 H GLU 106 HN GLU 106 6.227 2.783 -6.347 901 HA GLU 106 HA GLU 106 7.324 2.949 -3.754 902 HB2 GLU 106 HB2 GLU 106 4.942 2.309 -4.371 903 HB3 GLU 106 HB1 GLU 106 5.562 0.763 -4.930 904 HG2 GLU 106 HG2 GLU 106 4.646 0.486 -2.714 905 HG3 GLU 106 HG1 GLU 106 6.400 0.296 -2.629 906 H MET 107 HN MET 107 7.390 0.182 -6.190 907 HA MET 107 HA MET 107 9.410 -1.248 -4.801 908 HB2 MET 107 HB2 MET 107 8.411 -1.465 -7.681 909 HB3 MET 107 HB1 MET 107 9.511 -2.602 -6.931 910 HG2 MET 107 HG2 MET 107 7.546 -2.931 -5.180 911 HG3 MET 107 HG1 MET 107 6.562 -2.232 -6.456 912 HE1 MET 107 HE1 MET 107 7.796 -3.548 -9.188 913 HE2 MET 107 HE2 MET 107 6.076 -3.482 -8.791 914 HE3 MET 107 HE3 MET 107 6.815 -5.019 -9.253 915 H GLY 108 HN GLY 108 9.508 1.587 -6.681 916 HA2 GLY 108 HA2 GLY 108 11.308 3.034 -6.795 917 HA3 GLY 108 HA1 GLY 108 12.377 1.743 -6.275 918 H LEU 109 HN LEU 109 10.167 1.659 -9.039 919 HA LEU 109 HA LEU 109 12.287 0.869 -10.842 920 HB2 LEU 109 HB2 LEU 109 9.396 1.578 -11.501 921 HB3 LEU 109 HB1 LEU 109 10.525 0.723 -12.543 922 HG LEU 109 HG LEU 109 9.335 -0.341 -9.941 923 HD11 LEU 109 HD11 LEU 109 8.803 -1.188 -12.811 924 HD12 LEU 109 HD12 LEU 109 7.699 -0.291 -11.765 925 HD13 LEU 109 HD13 LEU 109 8.137 -1.947 -11.362 926 HD21 LEU 109 HD21 LEU 109 10.423 -2.480 -10.442 927 HD22 LEU 109 HD22 LEU 109 11.634 -1.212 -10.268 928 HD23 LEU 109 HD23 LEU 109 11.185 -1.792 -11.879 929 H GLU 110 HN GLU 110 13.225 2.111 -12.432 930 HA GLU 110 HA GLU 110 12.493 4.991 -12.677 931 HB2 GLU 110 HB2 GLU 110 14.901 5.424 -13.153 932 HB3 GLU 110 HB1 GLU 110 14.643 4.760 -11.541 933 HG2 GLU 110 HG2 GLU 110 15.301 2.518 -12.378 934 HG3 GLU 110 HG1 GLU 110 15.612 3.219 -13.964 935 H GLU 111 HN GLU 111 12.100 2.218 -14.118 936 HA GLU 111 HA GLU 111 11.913 3.362 -16.816 937 HB2 GLU 111 HB2 GLU 111 12.938 1.393 -17.883 938 HB3 GLU 111 HB1 GLU 111 14.096 2.192 -16.829 939 HG2 GLU 111 HG2 GLU 111 12.556 -0.327 -16.086 940 HG3 GLU 111 HG1 GLU 111 14.177 -0.320 -16.769 941 H MET 112 HN MET 112 10.293 2.338 -18.095 942 HA MET 112 HA MET 112 8.127 1.160 -16.630 943 HB2 MET 112 HB2 MET 112 7.595 2.656 -18.511 944 HB3 MET 112 HB1 MET 112 8.471 1.617 -19.635 945 HG2 MET 112 HG2 MET 112 6.860 -0.201 -19.186 946 HG3 MET 112 HG1 MET 112 5.974 0.860 -18.102 947 HE1 MET 112 HE1 MET 112 4.296 2.550 -18.780 948 HE2 MET 112 HE2 MET 112 4.118 3.251 -20.394 949 HE3 MET 112 HE3 MET 112 5.566 3.582 -19.444 950 H THR 113 HN THR 113 7.720 -0.963 -16.361 951 HA THR 113 HA THR 113 9.384 -2.964 -17.730 952 HB THR 113 HB THR 113 8.394 -3.019 -14.836 953 HG1 THR 113 HG1 THR 113 10.057 -1.362 -15.389 954 HG21 THR 113 HG21 THR 113 10.025 -4.822 -14.508 955 HG22 THR 113 HG22 THR 113 10.485 -4.740 -16.214 956 HG23 THR 113 HG23 THR 113 8.856 -5.258 -15.759 957 H GLY 114 HN GLY 114 8.059 -5.113 -17.969 958 HA2 GLY 114 HA2 GLY 114 5.233 -4.944 -17.201 959 HA3 GLY 114 HA1 GLY 114 5.622 -5.062 -18.911 960 H PHE 115 HN PHE 115 4.290 -6.866 -16.845 961 HA PHE 115 HA PHE 115 5.887 -9.344 -17.206 962 HB2 PHE 115 HB2 PHE 115 4.072 -8.761 -14.817 963 HB3 PHE 115 HB1 PHE 115 5.232 -10.068 -14.996 964 HD1 PHE 115 HD1 PHE 115 4.853 -6.424 -14.375 965 HD2 PHE 115 HD2 PHE 115 7.558 -9.743 -14.354 966 HE1 PHE 115 HE1 PHE 115 6.498 -5.083 -13.131 967 HE2 PHE 115 HE2 PHE 115 9.193 -8.392 -13.119 968 HZ PHE 115 HZ PHE 115 8.664 -6.062 -12.501 969 H SER 116 HN SER 116 4.492 -11.293 -17.730 970 HA SER 116 HA SER 116 1.660 -11.032 -17.076 971 HB2 SER 116 HB2 SER 116 2.083 -10.178 -19.456 972 HB3 SER 116 HB1 SER 116 2.624 -11.793 -19.881 973 HG SER 116 HG SER 116 0.491 -11.714 -20.407 974 H LYS 117 HN LYS 117 0.484 -13.018 -17.699 975 HA LYS 117 HA LYS 117 1.834 -15.516 -16.989 976 HB2 LYS 117 HB2 LYS 117 -1.099 -14.860 -17.535 977 HB3 LYS 117 HB1 LYS 117 -0.505 -16.436 -17.013 978 HG2 LYS 117 HG2 LYS 117 -0.230 -13.874 -15.406 979 HG3 LYS 117 HG1 LYS 117 -1.518 -15.056 -15.173 980 HD2 LYS 117 HD2 LYS 117 1.467 -15.477 -14.727 981 HD3 LYS 117 HD1 LYS 117 0.212 -15.396 -13.489 982 HE2 LYS 117 HE2 LYS 117 0.563 -17.584 -15.575 983 HE3 LYS 117 HE1 LYS 117 0.885 -17.719 -13.849 984 HZ1 LYS 117 HZ1 LYS 117 -1.480 -17.367 -13.437 985 HZ2 LYS 117 HZ2 LYS 117 -1.220 -18.716 -14.414 986 HZ3 LYS 117 HZ3 LYS 117 -1.772 -17.275 -15.097 987 H THR 118 HN THR 118 1.019 -13.724 -19.732 988 HA THR 118 HA THR 118 0.953 -16.050 -21.550 989 HB THR 118 HB THR 118 -0.266 -14.491 -23.145 990 HG1 THR 118 HG1 THR 118 -0.811 -12.520 -22.508 991 HG21 THR 118 HG21 THR 118 -2.464 -14.636 -22.035 992 HG22 THR 118 HG22 THR 118 -1.674 -14.944 -20.488 993 HG23 THR 118 HG23 THR 118 -1.550 -16.127 -21.793 994 H THR 119 HN THR 119 2.155 -15.847 -23.479 995 HA THR 119 HA THR 119 4.724 -14.691 -23.024 996 HB THR 119 HB THR 119 4.416 -16.928 -24.063 997 HG1 THR 119 HG1 THR 119 6.363 -15.796 -24.401 998 HG21 THR 119 HG21 THR 119 2.492 -16.470 -25.538 999 HG22 THR 119 HG22 THR 119 3.841 -17.165 -26.439 1000 HG23 THR 119 HG23 THR 119 3.509 -15.435 -26.544 1001 H PHE 120 HN PHE 120 5.810 -13.105 -24.158 1002 HA PHE 120 HA PHE 120 4.766 -11.765 -26.460 1003 HB2 PHE 120 HB2 PHE 120 4.563 -9.517 -25.514 1004 HB3 PHE 120 HB1 PHE 120 3.437 -10.614 -24.743 1005 HD1 PHE 120 HD2 PHE 120 4.371 -11.708 -22.451 1006 HD2 PHE 120 HD1 PHE 120 5.691 -8.003 -24.137 1007 HE1 PHE 120 HE2 PHE 120 5.131 -10.960 -20.238 1008 HE2 PHE 120 HE1 PHE 120 6.435 -7.269 -21.911 1009 HZ PHE 120 HZ PHE 120 6.155 -8.747 -19.969 Start of MODEL 16 1 H MET 1 HT1 MET 1 -5.295 -21.762 15.000 2 HA MET 1 HA MET 1 -3.896 -21.361 16.898 3 HB2 MET 1 HB2 MET 1 -1.942 -23.166 15.409 4 HB3 MET 1 HB1 MET 1 -1.492 -22.153 16.776 5 HG2 MET 1 HG2 MET 1 -3.063 -23.408 18.210 6 HG3 MET 1 HG1 MET 1 -3.468 -24.450 16.843 7 HE1 MET 1 HE1 MET 1 0.135 -23.009 17.822 8 HE2 MET 1 HE2 MET 1 0.717 -24.325 18.838 9 HE3 MET 1 HE3 MET 1 -0.648 -23.338 19.368 10 H LYS 2 HN LYS 2 -2.589 -21.772 13.602 11 HA LYS 2 HA LYS 2 -2.203 -18.839 13.378 12 HB2 LYS 2 HB2 LYS 2 -0.317 -20.973 12.272 13 HB3 LYS 2 HB1 LYS 2 -0.144 -19.232 12.067 14 HG2 LYS 2 HG2 LYS 2 0.392 -18.916 14.381 15 HG3 LYS 2 HG1 LYS 2 -0.120 -20.553 14.789 16 HD2 LYS 2 HD2 LYS 2 2.263 -20.593 14.827 17 HD3 LYS 2 HD1 LYS 2 1.784 -21.414 13.343 18 HE2 LYS 2 HE2 LYS 2 2.680 -18.514 13.470 19 HE3 LYS 2 HE1 LYS 2 3.745 -19.863 13.090 20 HZ1 LYS 2 HZ1 LYS 2 2.289 -20.337 11.175 21 HZ2 LYS 2 HZ2 LYS 2 3.049 -18.836 11.094 22 HZ3 LYS 2 HZ3 LYS 2 1.418 -18.927 11.510 23 H GLU 3 HN GLU 3 -1.669 -21.544 11.096 24 HA GLU 3 HA GLU 3 -2.382 -21.983 8.996 25 HB2 GLU 3 HB2 GLU 3 -5.066 -20.968 10.036 26 HB3 GLU 3 HB1 GLU 3 -4.844 -21.895 8.561 27 HG2 GLU 3 HG2 GLU 3 -5.642 -23.455 10.141 28 HG3 GLU 3 HG1 GLU 3 -3.914 -23.774 10.027 29 H VAL 4 HN VAL 4 -1.425 -19.207 9.624 30 HA VAL 4 HA VAL 4 -2.143 -17.798 7.157 31 HB VAL 4 HB VAL 4 -2.454 -15.621 8.440 32 HG11 VAL 4 HG11 VAL 4 -4.818 -15.985 9.041 33 HG12 VAL 4 HG12 VAL 4 -4.581 -17.734 8.959 34 HG13 VAL 4 HG13 VAL 4 -4.419 -16.751 7.502 35 HG21 VAL 4 HG21 VAL 4 -3.103 -15.753 10.834 36 HG22 VAL 4 HG22 VAL 4 -1.440 -16.278 10.577 37 HG23 VAL 4 HG23 VAL 4 -2.710 -17.472 10.847 38 H GLU 5 HN GLU 5 -0.587 -16.164 6.608 39 HA GLU 5 HA GLU 5 1.829 -15.972 8.306 40 HB2 GLU 5 HB2 GLU 5 3.192 -15.825 6.308 41 HB3 GLU 5 HB1 GLU 5 2.214 -17.277 6.225 42 HG2 GLU 5 HG2 GLU 5 1.593 -14.705 4.731 43 HG3 GLU 5 HG1 GLU 5 2.486 -16.060 4.052 44 H LYS 6 HN LYS 6 -0.248 -14.203 6.031 45 HA LYS 6 HA LYS 6 0.919 -11.656 6.105 46 HB2 LYS 6 HB2 LYS 6 -2.067 -12.274 6.051 47 HB3 LYS 6 HB1 LYS 6 -1.296 -10.806 5.450 48 HG2 LYS 6 HG2 LYS 6 -0.259 -12.022 3.630 49 HG3 LYS 6 HG1 LYS 6 -0.777 -13.567 4.308 50 HD2 LYS 6 HD2 LYS 6 -3.179 -12.807 3.975 51 HD3 LYS 6 HD1 LYS 6 -2.548 -11.414 3.089 52 HE2 LYS 6 HE2 LYS 6 -3.246 -13.202 1.563 53 HE3 LYS 6 HE1 LYS 6 -1.508 -12.932 1.450 54 HZ1 LYS 6 HZ1 LYS 6 -2.127 -15.283 1.496 55 HZ2 LYS 6 HZ2 LYS 6 -2.792 -15.088 3.037 56 HZ3 LYS 6 HZ3 LYS 6 -1.136 -14.864 2.805 57 H ASN 7 HN ASN 7 -1.656 -12.997 8.107 58 HA ASN 7 HA ASN 7 -2.039 -10.996 10.001 59 HB2 ASN 7 HB2 ASN 7 -2.073 -13.988 10.532 60 HB3 ASN 7 HB1 ASN 7 -2.837 -12.757 11.534 61 HD21 ASN 7 HD21 ASN 7 -4.776 -14.028 11.195 62 HD22 ASN 7 HD22 ASN 7 -5.704 -13.807 9.760 63 H GLU 8 HN GLU 8 0.794 -13.134 9.691 64 HA GLU 8 HA GLU 8 1.724 -12.650 12.367 65 HB2 GLU 8 HB2 GLU 8 2.634 -14.303 10.037 66 HB3 GLU 8 HB1 GLU 8 3.879 -13.773 11.157 67 HG2 GLU 8 HG2 GLU 8 3.193 -15.938 11.815 68 HG3 GLU 8 HG1 GLU 8 2.608 -14.807 13.021 69 H ILE 9 HN ILE 9 2.448 -11.222 9.076 70 HA ILE 9 HA ILE 9 4.385 -9.454 10.018 71 HB ILE 9 HB ILE 9 2.359 -8.961 7.791 72 HG12 ILE 9 HG12 ILE 9 3.468 -11.114 7.378 73 HG13 ILE 9 HG11 ILE 9 4.074 -9.926 6.233 74 HG21 ILE 9 HG21 ILE 9 4.090 -7.474 6.812 75 HG22 ILE 9 HG22 ILE 9 5.126 -7.748 8.215 76 HG23 ILE 9 HG23 ILE 9 3.581 -6.917 8.407 77 HD11 ILE 9 HD11 ILE 9 5.863 -11.351 7.015 78 HD12 ILE 9 HD12 ILE 9 5.507 -10.946 8.695 79 HD13 ILE 9 HD13 ILE 9 6.130 -9.704 7.595 80 H LYS 10 HN LYS 10 0.847 -9.281 9.980 81 HA LYS 10 HA LYS 10 0.501 -6.719 11.106 82 HB2 LYS 10 HB2 LYS 10 -1.403 -7.911 10.183 83 HB3 LYS 10 HB1 LYS 10 -1.183 -9.245 11.310 84 HG2 LYS 10 HG2 LYS 10 -1.773 -7.740 13.191 85 HG3 LYS 10 HG1 LYS 10 -2.037 -6.426 12.040 86 HD2 LYS 10 HD2 LYS 10 -3.901 -7.641 11.020 87 HD3 LYS 10 HD1 LYS 10 -3.584 -9.053 12.036 88 HE2 LYS 10 HE2 LYS 10 -4.334 -6.330 13.123 89 HE3 LYS 10 HE1 LYS 10 -5.501 -7.612 12.810 90 HZ1 LYS 10 HZ1 LYS 10 -4.860 -7.569 15.109 91 HZ2 LYS 10 HZ2 LYS 10 -3.230 -7.744 14.713 92 HZ3 LYS 10 HZ3 LYS 10 -4.309 -9.000 14.395 93 H ARG 11 HN ARG 11 1.497 -9.739 12.461 94 HA ARG 11 HA ARG 11 1.048 -9.101 15.243 95 HB2 ARG 11 HB2 ARG 11 0.889 -11.406 14.627 96 HB3 ARG 11 HB1 ARG 11 2.476 -11.393 13.870 97 HG2 ARG 11 HG2 ARG 11 3.585 -11.271 16.000 98 HG3 ARG 11 HG1 ARG 11 2.059 -10.990 16.846 99 HD2 ARG 11 HD2 ARG 11 2.723 -13.540 15.324 100 HD3 ARG 11 HD1 ARG 11 2.928 -13.323 17.063 101 HE ARG 11 HE ARG 11 0.454 -12.860 17.120 102 HH11 ARG 11 HH11 ARG 11 1.791 -14.970 14.671 103 HH12 ARG 11 HH12 ARG 11 0.301 -15.818 14.420 104 HH21 ARG 11 HH21 ARG 11 -1.472 -14.005 16.811 105 HH22 ARG 11 HH22 ARG 11 -1.533 -15.288 15.644 106 H LEU 12 HN LEU 12 4.052 -9.187 13.154 107 HA LEU 12 HA LEU 12 5.683 -8.148 15.265 108 HB2 LEU 12 HB2 LEU 12 7.397 -7.655 13.488 109 HB3 LEU 12 HB1 LEU 12 6.832 -9.311 13.577 110 HG LEU 12 HG LEU 12 5.176 -8.340 11.610 111 HD11 LEU 12 HD11 LEU 12 6.454 -6.999 10.027 112 HD12 LEU 12 HD12 LEU 12 7.780 -6.864 11.184 113 HD13 LEU 12 HD13 LEU 12 6.214 -6.131 11.544 114 HD21 LEU 12 HD21 LEU 12 6.424 -10.420 11.466 115 HD22 LEU 12 HD22 LEU 12 7.927 -9.530 11.176 116 HD23 LEU 12 HD23 LEU 12 6.620 -9.477 9.988 117 H SER 13 HN SER 13 4.398 -6.300 12.404 118 HA SER 13 HA SER 13 4.520 -3.738 13.272 119 HB2 SER 13 HB2 SER 13 3.326 -4.387 11.223 120 HB3 SER 13 HB1 SER 13 1.994 -5.035 12.179 121 HG SER 13 HG SER 13 2.006 -2.722 11.239 122 H ASP 14 HN ASP 14 2.527 -6.129 14.561 123 HA ASP 14 HA ASP 14 0.886 -4.546 16.422 124 HB2 ASP 14 HB2 ASP 14 0.137 -6.849 15.819 125 HB3 ASP 14 HB1 ASP 14 1.491 -7.516 16.707 126 H ARG 15 HN ARG 15 3.918 -6.290 16.640 127 HA ARG 15 HA ARG 15 4.481 -5.874 19.377 128 HB2 ARG 15 HB2 ARG 15 5.662 -7.579 18.019 129 HB3 ARG 15 HB1 ARG 15 6.500 -6.305 17.137 130 HG2 ARG 15 HG2 ARG 15 7.953 -7.273 18.846 131 HG3 ARG 15 HG1 ARG 15 7.621 -5.574 19.189 132 HD2 ARG 15 HD2 ARG 15 5.846 -6.305 20.815 133 HD3 ARG 15 HD1 ARG 15 6.349 -7.979 20.535 134 HE ARG 15 HE ARG 15 8.657 -7.001 21.271 135 HH11 ARG 15 HH11 ARG 15 5.535 -6.204 22.682 136 HH12 ARG 15 HH12 ARG 15 6.193 -5.963 24.268 137 HH21 ARG 15 HH21 ARG 15 9.481 -6.703 23.341 138 HH22 ARG 15 HH22 ARG 15 8.430 -6.242 24.635 139 H LEU 16 HN LEU 16 5.839 -3.938 16.528 140 HA LEU 16 HA LEU 16 7.184 -2.105 18.241 141 HB2 LEU 16 HB2 LEU 16 7.298 -2.722 15.557 142 HB3 LEU 16 HB1 LEU 16 6.414 -1.217 15.470 143 HG LEU 16 HG LEU 16 8.843 -0.894 15.117 144 HD11 LEU 16 HD11 LEU 16 7.932 0.403 17.698 145 HD12 LEU 16 HD12 LEU 16 7.601 0.982 16.064 146 HD13 LEU 16 HD13 LEU 16 9.257 0.947 16.662 147 HD21 LEU 16 HD21 LEU 16 9.680 -2.749 16.478 148 HD22 LEU 16 HD22 LEU 16 9.213 -1.901 17.955 149 HD23 LEU 16 HD23 LEU 16 10.470 -1.236 16.909 150 H ASP 17 HN ASP 17 4.249 -1.947 16.478 151 HA ASP 17 HA ASP 17 2.985 0.415 17.285 152 HB2 ASP 17 HB2 ASP 17 1.759 -1.305 15.910 153 HB3 ASP 17 HB1 ASP 17 1.467 -2.226 17.378 154 H ALA 18 HN ALA 18 3.255 -2.528 19.161 155 HA ALA 18 HA ALA 18 2.053 -1.571 21.590 156 HB1 ALA 18 HB1 ALA 18 2.211 -3.978 21.092 157 HB2 ALA 18 HB2 ALA 18 2.940 -3.594 22.652 158 HB3 ALA 18 HB3 ALA 18 3.966 -3.901 21.249 159 H ILE 19 HN ILE 19 5.387 -1.605 20.390 160 HA ILE 19 HA ILE 19 6.617 -0.764 22.834 161 HB ILE 19 HB ILE 19 7.719 -0.750 19.992 162 HG12 ILE 19 HG12 ILE 19 8.147 -2.598 22.396 163 HG13 ILE 19 HG11 ILE 19 7.300 -3.004 20.907 164 HG21 ILE 19 HG21 ILE 19 9.977 -0.378 20.990 165 HG22 ILE 19 HG22 ILE 19 9.236 -0.149 22.576 166 HG23 ILE 19 HG23 ILE 19 8.908 0.996 21.274 167 HD11 ILE 19 HD11 ILE 19 10.254 -2.458 21.185 168 HD12 ILE 19 HD12 ILE 19 9.420 -2.845 19.678 169 HD13 ILE 19 HD13 ILE 19 9.487 -4.031 20.981 170 H ARG 20 HN ARG 20 6.006 1.241 19.798 171 HA ARG 20 HA ARG 20 6.416 3.712 20.963 172 HB2 ARG 20 HB2 ARG 20 5.174 4.651 19.086 173 HB3 ARG 20 HB1 ARG 20 6.145 3.307 18.518 174 HG2 ARG 20 HG2 ARG 20 4.174 2.912 17.355 175 HG3 ARG 20 HG1 ARG 20 3.890 1.926 18.786 176 HD2 ARG 20 HD2 ARG 20 2.670 3.999 19.741 177 HD3 ARG 20 HD1 ARG 20 2.691 4.623 18.092 178 HE ARG 20 HE ARG 20 1.576 2.170 17.785 179 HH11 ARG 20 HH11 ARG 20 0.826 4.804 19.969 180 HH12 ARG 20 HH12 ARG 20 -0.856 4.407 20.077 181 HH21 ARG 20 HH21 ARG 20 -0.676 1.657 17.951 182 HH22 ARG 20 HH22 ARG 20 -1.710 2.658 18.923 183 H HIS 21 HN HIS 21 3.705 1.638 21.119 184 HA HIS 21 HA HIS 21 1.817 3.395 22.439 185 HB2 HIS 21 HB2 HIS 21 1.364 0.991 21.460 186 HB3 HIS 21 HB1 HIS 21 1.819 0.418 23.053 187 HD1 HIS 21 HD1 HIS 21 0.328 1.859 25.047 188 HD2 HIS 21 HD2 HIS 21 -1.292 1.312 21.254 189 HE1 HIS 21 HE1 HIS 21 -2.141 2.196 25.303 190 HE2 HIS 21 HE2 HIS 21 -3.104 1.841 23.012 191 H GLN 22 HN GLN 22 4.271 1.229 23.525 192 HA GLN 22 HA GLN 22 3.916 1.386 26.343 193 HB2 GLN 22 HB2 GLN 22 4.986 -0.521 25.424 194 HB3 GLN 22 HB1 GLN 22 6.140 0.449 24.522 195 HG2 GLN 22 HG2 GLN 22 7.193 1.108 26.684 196 HG3 GLN 22 HG1 GLN 22 6.096 -0.011 27.510 197 HE21 GLN 22 HE21 GLN 22 7.702 -0.450 24.366 198 HE22 GLN 22 HE22 GLN 22 8.648 -1.809 24.846 199 H GLN 23 HN GLN 23 5.988 3.177 24.061 200 HA GLN 23 HA GLN 23 7.283 4.718 26.200 201 HB2 GLN 23 HB2 GLN 23 7.619 4.898 23.174 202 HB3 GLN 23 HB1 GLN 23 8.656 5.650 24.386 203 HG2 GLN 23 HG2 GLN 23 9.328 3.412 25.189 204 HG3 GLN 23 HG1 GLN 23 8.299 2.668 23.969 205 HE21 GLN 23 HE21 GLN 23 11.315 4.235 24.586 206 HE22 GLN 23 HE22 GLN 23 12.004 3.993 23.029 207 H ALA 24 HN ALA 24 4.907 5.069 23.769 208 HA ALA 24 HA ALA 24 3.909 7.629 24.365 209 HB1 ALA 24 HB1 ALA 24 2.742 6.247 22.693 210 HB2 ALA 24 HB2 ALA 24 1.610 6.953 23.849 211 HB3 ALA 24 HB3 ALA 24 2.068 5.252 23.980 212 H ASP 25 HN ASP 25 3.485 4.627 26.275 213 HA ASP 25 HA ASP 25 2.051 5.969 28.426 214 HB2 ASP 25 HB2 ASP 25 3.200 3.158 28.167 215 HB3 ASP 25 HB1 ASP 25 2.362 3.726 29.601 216 H LEU 26 HN LEU 26 5.371 5.247 27.612 217 HA LEU 26 HA LEU 26 6.293 6.019 30.330 218 HB2 LEU 26 HB2 LEU 26 7.885 4.693 28.102 219 HB3 LEU 26 HB1 LEU 26 8.518 5.137 29.681 220 HG LEU 26 HG LEU 26 6.490 2.961 29.062 221 HD11 LEU 26 HD11 LEU 26 8.809 2.343 28.646 222 HD12 LEU 26 HD12 LEU 26 8.168 1.460 30.028 223 HD13 LEU 26 HD13 LEU 26 9.259 2.824 30.284 224 HD21 LEU 26 HD21 LEU 26 7.358 3.938 31.805 225 HD22 LEU 26 HD22 LEU 26 6.428 2.471 31.487 226 HD23 LEU 26 HD23 LEU 26 5.736 4.045 31.109 227 H SER 27 HN SER 27 8.102 7.476 30.509 228 HA SER 27 HA SER 27 8.312 9.434 28.297 229 HB2 SER 27 HB2 SER 27 7.582 10.373 30.477 230 HB3 SER 27 HB1 SER 27 9.045 9.752 31.237 231 HG SER 27 HG SER 27 8.754 11.835 29.362 232 H LEU 28 HN LEU 28 10.407 10.175 27.692 233 HA LEU 28 HA LEU 28 12.569 8.337 27.857 234 HB2 LEU 28 HB2 LEU 28 13.857 9.829 26.525 235 HB3 LEU 28 HB1 LEU 28 12.229 9.842 25.912 236 HG LEU 28 HG LEU 28 12.992 12.049 25.666 237 HD11 LEU 28 HD11 LEU 28 10.747 12.037 26.564 238 HD12 LEU 28 HD12 LEU 28 11.628 13.471 27.083 239 HD13 LEU 28 HD13 LEU 28 11.377 12.135 28.211 240 HD21 LEU 28 HD21 LEU 28 14.095 13.412 27.384 241 HD22 LEU 28 HD22 LEU 28 15.010 11.957 27.002 242 HD23 LEU 28 HD23 LEU 28 14.068 12.035 28.491 243 H VAL 29 HN VAL 29 11.536 10.955 29.879 244 HA VAL 29 HA VAL 29 14.088 11.380 31.176 245 HB VAL 29 HB VAL 29 11.338 12.360 32.068 246 HG11 VAL 29 HG11 VAL 29 14.120 13.333 32.835 247 HG12 VAL 29 HG12 VAL 29 13.003 12.453 33.879 248 HG13 VAL 29 HG13 VAL 29 12.600 14.081 33.333 249 HG21 VAL 29 HG21 VAL 29 11.915 14.501 30.959 250 HG22 VAL 29 HG22 VAL 29 11.832 13.175 29.800 251 HG23 VAL 29 HG23 VAL 29 13.400 13.779 30.334 252 H GLU 30 HN GLU 30 10.976 10.540 32.791 253 HA GLU 30 HA GLU 30 12.203 9.473 35.099 254 HB2 GLU 30 HB2 GLU 30 9.884 8.853 35.780 255 HB3 GLU 30 HB1 GLU 30 10.023 10.513 35.227 256 HG2 GLU 30 HG2 GLU 30 8.014 9.795 34.290 257 HG3 GLU 30 HG1 GLU 30 9.162 9.664 32.965 258 H ALA 31 HN ALA 31 12.258 7.962 32.211 259 HA ALA 31 HA ALA 31 12.518 5.318 33.416 260 HB1 ALA 31 HB1 ALA 31 10.216 5.404 32.495 261 HB2 ALA 31 HB2 ALA 31 11.218 4.268 31.591 262 HB3 ALA 31 HB3 ALA 31 10.856 5.859 30.916 263 H ALA 32 HN ALA 32 14.588 7.047 32.850 264 HA ALA 32 HA ALA 32 15.540 7.515 30.389 265 HB1 ALA 32 HB1 ALA 32 16.529 8.369 32.468 266 HB2 ALA 32 HB2 ALA 32 17.758 7.730 31.380 267 HB3 ALA 32 HB3 ALA 32 17.251 6.786 32.781 268 H ASP 33 HN ASP 33 17.314 4.899 32.122 269 HA ASP 33 HA ASP 33 18.255 3.621 29.861 270 HB2 ASP 33 HB2 ASP 33 19.249 3.322 32.090 271 HB3 ASP 33 HB1 ASP 33 17.830 2.427 32.627 272 H LYS 34 HN LYS 34 15.221 3.013 31.536 273 HA LYS 34 HA LYS 34 14.556 0.523 30.355 274 HB2 LYS 34 HB2 LYS 34 13.375 1.906 32.307 275 HB3 LYS 34 HB1 LYS 34 12.369 2.525 31.009 276 HG2 LYS 34 HG2 LYS 34 12.687 -0.411 31.750 277 HG3 LYS 34 HG1 LYS 34 11.333 0.619 32.222 278 HD2 LYS 34 HD2 LYS 34 10.699 0.874 29.850 279 HD3 LYS 34 HD1 LYS 34 12.076 -0.113 29.360 280 HE2 LYS 34 HE2 LYS 34 10.009 -1.420 29.332 281 HE3 LYS 34 HE1 LYS 34 11.122 -2.046 30.548 282 HZ1 LYS 34 HZ1 LYS 34 9.865 -0.910 32.244 283 HZ2 LYS 34 HZ2 LYS 34 8.866 -1.938 31.357 284 HZ3 LYS 34 HZ3 LYS 34 8.805 -0.273 31.093 285 H TYR 35 HN TYR 35 13.367 3.693 29.472 286 HA TYR 35 HA TYR 35 12.321 3.309 26.937 287 HB2 TYR 35 HB2 TYR 35 12.113 5.415 28.289 288 HB3 TYR 35 HB1 TYR 35 13.797 5.779 27.960 289 HD1 TYR 35 HD2 TYR 35 14.482 6.382 25.558 290 HD2 TYR 35 HD1 TYR 35 10.379 6.005 26.712 291 HE1 TYR 35 HE2 TYR 35 13.802 7.653 23.571 292 HE2 TYR 35 HE1 TYR 35 9.712 7.280 24.722 293 HH TYR 35 HH TYR 35 10.732 8.949 23.163 294 H ALA 36 HN ALA 36 15.654 3.869 27.936 295 HA ALA 36 HA ALA 36 16.829 4.200 25.400 296 HB1 ALA 36 HB1 ALA 36 17.993 4.815 27.481 297 HB2 ALA 36 HB2 ALA 36 18.979 3.756 26.469 298 HB3 ALA 36 HB3 ALA 36 18.158 3.107 27.891 299 H GLU 37 HN GLU 37 17.001 1.173 27.374 300 HA GLU 37 HA GLU 37 17.366 -0.791 25.674 301 HB2 GLU 37 HB2 GLU 37 15.108 -0.732 27.711 302 HB3 GLU 37 HB1 GLU 37 15.696 -2.198 26.937 303 HG2 GLU 37 HG2 GLU 37 17.402 -0.398 28.687 304 HG3 GLU 37 HG1 GLU 37 16.532 -1.811 29.270 305 H LEU 38 HN LEU 38 14.139 0.732 25.990 306 HA LEU 38 HA LEU 38 12.845 -0.926 24.079 307 HB2 LEU 38 HB2 LEU 38 12.059 1.924 24.799 308 HB3 LEU 38 HB1 LEU 38 11.020 0.688 24.104 309 HG LEU 38 HG LEU 38 12.247 0.606 26.874 310 HD11 LEU 38 HD11 LEU 38 10.500 2.284 26.725 311 HD12 LEU 38 HD12 LEU 38 9.986 0.926 27.723 312 HD13 LEU 38 HD13 LEU 38 9.378 1.089 26.072 313 HD21 LEU 38 HD21 LEU 38 10.360 -1.368 25.568 314 HD22 LEU 38 HD22 LEU 38 10.866 -1.391 27.260 315 HD23 LEU 38 HD23 LEU 38 12.053 -1.650 25.984 316 H GLU 39 HN GLU 39 14.675 1.921 23.754 317 HA GLU 39 HA GLU 39 14.320 2.467 20.957 318 HB2 GLU 39 HB2 GLU 39 16.695 3.117 22.742 319 HB3 GLU 39 HB1 GLU 39 16.529 3.692 21.086 320 HG2 GLU 39 HG2 GLU 39 14.635 4.331 23.370 321 HG3 GLU 39 HG1 GLU 39 15.908 5.393 22.773 322 H LYS 40 HN LYS 40 16.996 0.695 22.643 323 HA LYS 40 HA LYS 40 18.195 -0.397 20.358 324 HB2 LYS 40 HB2 LYS 40 18.210 -1.584 23.153 325 HB3 LYS 40 HB1 LYS 40 19.368 -1.941 21.873 326 HG2 LYS 40 HG2 LYS 40 19.935 0.567 21.919 327 HG3 LYS 40 HG1 LYS 40 19.009 0.630 23.423 328 HD2 LYS 40 HD2 LYS 40 21.466 -1.103 22.930 329 HD3 LYS 40 HD1 LYS 40 21.450 0.421 23.812 330 HE2 LYS 40 HE2 LYS 40 21.411 -1.156 25.532 331 HE3 LYS 40 HE1 LYS 40 19.704 -0.767 25.360 332 HZ1 LYS 40 HZ1 LYS 40 20.018 -3.116 25.564 333 HZ2 LYS 40 HZ2 LYS 40 21.091 -3.148 24.262 334 HZ3 LYS 40 HZ3 LYS 40 19.460 -2.784 24.009 335 H GLU 41 HN GLU 41 15.822 -1.944 22.416 336 HA GLU 41 HA GLU 41 15.412 -4.408 21.198 337 HB2 GLU 41 HB2 GLU 41 13.295 -2.666 22.546 338 HB3 GLU 41 HB1 GLU 41 13.061 -4.363 22.127 339 HG2 GLU 41 HG2 GLU 41 15.106 -3.290 24.096 340 HG3 GLU 41 HG1 GLU 41 13.570 -4.039 24.520 341 H LYS 42 HN LYS 42 13.619 -1.437 20.691 342 HA LYS 42 HA LYS 42 12.278 -1.941 18.313 343 HB2 LYS 42 HB2 LYS 42 12.078 0.155 19.612 344 HB3 LYS 42 HB1 LYS 42 13.694 0.630 19.112 345 HG2 LYS 42 HG2 LYS 42 12.838 0.659 16.716 346 HG3 LYS 42 HG1 LYS 42 11.212 0.432 17.374 347 HD2 LYS 42 HD2 LYS 42 13.095 2.745 17.903 348 HD3 LYS 42 HD1 LYS 42 11.597 2.801 16.975 349 HE2 LYS 42 HE2 LYS 42 10.293 2.320 19.014 350 HE3 LYS 42 HE1 LYS 42 11.773 2.204 19.965 351 HZ1 LYS 42 HZ1 LYS 42 12.205 4.518 19.557 352 HZ2 LYS 42 HZ2 LYS 42 10.656 4.335 20.207 353 HZ3 LYS 42 HZ3 LYS 42 10.845 4.640 18.555 354 H ALA 43 HN ALA 43 15.659 -0.796 18.695 355 HA ALA 43 HA ALA 43 16.246 -0.310 16.034 356 HB1 ALA 43 HB1 ALA 43 17.607 0.544 17.881 357 HB2 ALA 43 HB2 ALA 43 18.609 -0.311 16.708 358 HB3 ALA 43 HB3 ALA 43 18.181 -1.090 18.235 359 H THR 44 HN THR 44 17.296 -3.178 17.878 360 HA THR 44 HA THR 44 18.158 -4.821 15.867 361 HB THR 44 HB THR 44 16.821 -5.733 18.457 362 HG1 THR 44 HG1 THR 44 18.686 -4.135 18.513 363 HG21 THR 44 HG21 THR 44 18.315 -7.691 18.273 364 HG22 THR 44 HG22 THR 44 18.948 -7.073 16.744 365 HG23 THR 44 HG23 THR 44 17.262 -7.576 16.863 366 H LEU 45 HN LEU 45 14.844 -4.614 17.213 367 HA LEU 45 HA LEU 45 13.605 -6.594 15.691 368 HB2 LEU 45 HB2 LEU 45 12.531 -3.959 16.700 369 HB3 LEU 45 HB1 LEU 45 11.558 -4.896 15.578 370 HG LEU 45 HG LEU 45 12.490 -5.844 18.312 371 HD11 LEU 45 HD11 LEU 45 10.706 -4.185 18.458 372 HD12 LEU 45 HD12 LEU 45 10.117 -5.779 18.922 373 HD13 LEU 45 HD13 LEU 45 9.718 -5.121 17.333 374 HD21 LEU 45 HD21 LEU 45 12.437 -7.730 16.752 375 HD22 LEU 45 HD22 LEU 45 10.799 -7.303 16.253 376 HD23 LEU 45 HD23 LEU 45 11.105 -7.846 17.904 377 H GLU 46 HN GLU 46 13.856 -3.166 14.710 378 HA GLU 46 HA GLU 46 13.296 -3.307 12.049 379 HB2 GLU 46 HB2 GLU 46 15.552 -1.672 13.270 380 HB3 GLU 46 HB1 GLU 46 14.751 -1.342 11.738 381 HG2 GLU 46 HG2 GLU 46 12.627 -0.885 12.954 382 HG3 GLU 46 HG1 GLU 46 13.422 -1.218 14.487 383 H ALA 47 HN ALA 47 16.614 -3.461 13.198 384 HA ALA 47 HA ALA 47 18.172 -4.219 11.096 385 HB1 ALA 47 HB1 ALA 47 18.472 -5.421 13.865 386 HB2 ALA 47 HB2 ALA 47 19.050 -3.831 13.365 387 HB3 ALA 47 HB3 ALA 47 19.749 -5.284 12.650 388 H GLU 48 HN GLU 48 16.787 -6.675 13.132 389 HA GLU 48 HA GLU 48 16.960 -9.055 11.802 390 HB2 GLU 48 HB2 GLU 48 16.088 -8.734 14.119 391 HB3 GLU 48 HB1 GLU 48 14.608 -8.051 13.466 392 HG2 GLU 48 HG2 GLU 48 14.028 -10.234 14.055 393 HG3 GLU 48 HG1 GLU 48 14.234 -10.292 12.309 394 H ILE 49 HN ILE 49 13.977 -7.170 11.844 395 HA ILE 49 HA ILE 49 12.728 -8.611 9.722 396 HB ILE 49 HB ILE 49 10.861 -7.110 9.798 397 HG12 ILE 49 HG12 ILE 49 12.645 -5.146 11.308 398 HG13 ILE 49 HG11 ILE 49 12.010 -4.924 9.680 399 HG21 ILE 49 HG21 ILE 49 11.954 -7.395 12.612 400 HG22 ILE 49 HG22 ILE 49 11.049 -8.620 11.724 401 HG23 ILE 49 HG23 ILE 49 10.259 -7.114 12.193 402 HD11 ILE 49 HD11 ILE 49 10.395 -5.001 12.223 403 HD12 ILE 49 HD12 ILE 49 9.754 -4.764 10.594 404 HD13 ILE 49 HD13 ILE 49 10.838 -3.565 11.299 405 H ALA 50 HN ALA 50 15.145 -6.377 9.543 406 HA ALA 50 HA ALA 50 14.573 -5.324 6.882 407 HB1 ALA 50 HB1 ALA 50 16.724 -4.134 7.114 408 HB2 ALA 50 HB2 ALA 50 17.023 -4.972 8.641 409 HB3 ALA 50 HB3 ALA 50 15.670 -3.851 8.504 410 H ARG 51 HN ARG 51 17.101 -7.396 8.429 411 HA ARG 51 HA ARG 51 18.219 -8.639 6.238 412 HB2 ARG 51 HB2 ARG 51 18.952 -9.022 8.576 413 HB3 ARG 51 HB1 ARG 51 17.471 -9.906 8.914 414 HG2 ARG 51 HG2 ARG 51 19.280 -11.494 8.622 415 HG3 ARG 51 HG1 ARG 51 18.167 -11.653 7.261 416 HD2 ARG 51 HD2 ARG 51 19.681 -10.316 5.853 417 HD3 ARG 51 HD1 ARG 51 20.786 -10.122 7.221 418 HE ARG 51 HE ARG 51 20.508 -12.834 6.939 419 HH11 ARG 51 HH11 ARG 51 21.570 -10.262 4.788 420 HH12 ARG 51 HH12 ARG 51 22.671 -11.288 3.922 421 HH21 ARG 51 HH21 ARG 51 21.958 -14.155 5.805 422 HH22 ARG 51 HH22 ARG 51 22.880 -13.499 4.490 423 H LEU 52 HN LEU 52 15.352 -9.692 7.991 424 HA LEU 52 HA LEU 52 14.448 -11.757 6.383 425 HB2 LEU 52 HB2 LEU 52 13.062 -9.912 8.321 426 HB3 LEU 52 HB1 LEU 52 12.056 -10.903 7.287 427 HG LEU 52 HG LEU 52 12.338 -11.967 9.470 428 HD11 LEU 52 HD11 LEU 52 13.065 -14.189 8.764 429 HD12 LEU 52 HD12 LEU 52 13.817 -13.511 7.317 430 HD13 LEU 52 HD13 LEU 52 12.065 -13.431 7.524 431 HD21 LEU 52 HD21 LEU 52 14.508 -12.792 10.262 432 HD22 LEU 52 HD22 LEU 52 14.508 -11.038 10.116 433 HD23 LEU 52 HD23 LEU 52 15.315 -12.022 8.893 434 H ARG 53 HN ARG 53 13.342 -8.311 6.250 435 HA ARG 53 HA ARG 53 12.241 -8.604 3.672 436 HB2 ARG 53 HB2 ARG 53 12.838 -6.193 5.348 437 HB3 ARG 53 HB1 ARG 53 12.139 -6.054 3.739 438 HG2 ARG 53 HG2 ARG 53 10.204 -7.463 4.499 439 HG3 ARG 53 HG1 ARG 53 10.889 -7.462 6.128 440 HD2 ARG 53 HD2 ARG 53 9.120 -5.739 5.845 441 HD3 ARG 53 HD1 ARG 53 10.683 -5.032 6.268 442 HE ARG 53 HE ARG 53 9.336 -4.910 3.640 443 HH11 ARG 53 HH11 ARG 53 11.973 -3.803 5.692 444 HH12 ARG 53 HH12 ARG 53 12.434 -2.532 4.607 445 HH21 ARG 53 HH21 ARG 53 9.988 -3.250 2.218 446 HH22 ARG 53 HH22 ARG 53 11.317 -2.223 2.650 447 H GLU 54 HN GLU 54 15.613 -8.469 4.194 448 HA GLU 54 HA GLU 54 15.983 -7.308 1.517 449 HB2 GLU 54 HB2 GLU 54 18.300 -7.553 1.711 450 HB3 GLU 54 HB1 GLU 54 17.810 -7.225 3.368 451 HG2 GLU 54 HG2 GLU 54 18.061 -9.563 3.955 452 HG3 GLU 54 HG1 GLU 54 18.367 -9.999 2.283 453 H VAL 55 HN VAL 55 16.203 -10.511 3.037 454 HA VAL 55 HA VAL 55 15.876 -12.192 0.852 455 HB VAL 55 HB VAL 55 14.281 -12.475 3.445 456 HG11 VAL 55 HG11 VAL 55 13.451 -13.985 1.675 457 HG12 VAL 55 HG12 VAL 55 14.251 -14.900 2.952 458 HG13 VAL 55 HG13 VAL 55 15.083 -14.610 1.423 459 HG21 VAL 55 HG21 VAL 55 17.060 -13.525 2.792 460 HG22 VAL 55 HG22 VAL 55 16.144 -13.880 4.261 461 HG23 VAL 55 HG23 VAL 55 16.678 -12.231 3.930 462 H HIS 56 HN HIS 56 13.230 -10.709 2.562 463 HA HIS 56 HA HIS 56 11.334 -10.896 0.411 464 HB2 HIS 56 HB2 HIS 56 11.102 -9.693 3.175 465 HB3 HIS 56 HB1 HIS 56 9.807 -9.541 2.002 466 HD1 HIS 56 HD1 HIS 56 8.355 -11.570 1.582 467 HD2 HIS 56 HD2 HIS 56 11.556 -12.377 4.114 468 HE1 HIS 56 HE1 HIS 56 7.887 -13.833 2.572 469 HE2 HIS 56 HE2 HIS 56 9.918 -14.362 3.958 470 H SER 57 HN SER 57 13.826 -8.863 0.334 471 HA SER 57 HA SER 57 12.315 -6.928 -1.302 472 HB2 SER 57 HB2 SER 57 15.322 -7.337 -0.929 473 HB3 SER 57 HB1 SER 57 14.629 -6.164 -2.052 474 HG SER 57 HG SER 57 13.586 -5.951 0.457 475 H GLN 58 HN GLN 58 14.458 -9.698 -1.511 476 HA GLN 58 HA GLN 58 14.279 -10.196 -4.308 477 HB2 GLN 58 HB2 GLN 58 14.778 -12.234 -2.085 478 HB3 GLN 58 HB1 GLN 58 15.310 -12.345 -3.760 479 HG2 GLN 58 HG2 GLN 58 17.019 -10.705 -3.433 480 HG3 GLN 58 HG1 GLN 58 16.304 -10.149 -1.916 481 HE21 GLN 58 HE21 GLN 58 18.192 -10.436 -0.729 482 HE22 GLN 58 HE22 GLN 58 18.835 -11.994 -0.347 483 H LYS 59 HN LYS 59 12.207 -10.765 -1.585 484 HA LYS 59 HA LYS 59 10.157 -12.144 -3.197 485 HB2 LYS 59 HB2 LYS 59 11.629 -13.237 -0.867 486 HB3 LYS 59 HB1 LYS 59 9.919 -13.211 -0.555 487 HG2 LYS 59 HG2 LYS 59 10.420 -15.377 -1.407 488 HG3 LYS 59 HG1 LYS 59 9.578 -14.514 -2.694 489 HD2 LYS 59 HD2 LYS 59 11.470 -15.791 -3.595 490 HD3 LYS 59 HD1 LYS 59 11.734 -14.060 -3.819 491 HE2 LYS 59 HE2 LYS 59 13.216 -14.040 -1.824 492 HE3 LYS 59 HE1 LYS 59 12.971 -15.778 -1.631 493 HZ1 LYS 59 HZ1 LYS 59 14.175 -14.496 -4.020 494 HZ2 LYS 59 HZ2 LYS 59 14.047 -16.152 -3.721 495 HZ3 LYS 59 HZ3 LYS 59 15.048 -15.199 -2.755 496 H LEU 60 HN LEU 60 9.363 -9.828 -3.257 497 HA LEU 60 HA LEU 60 8.987 -8.250 -0.934 498 HB2 LEU 60 HB2 LEU 60 8.922 -7.809 -3.676 499 HB3 LEU 60 HB1 LEU 60 7.248 -7.560 -3.245 500 HG LEU 60 HG LEU 60 9.664 -5.962 -2.303 501 HD11 LEU 60 HD11 LEU 60 7.180 -5.106 -3.816 502 HD12 LEU 60 HD12 LEU 60 8.796 -5.311 -4.494 503 HD13 LEU 60 HD13 LEU 60 8.494 -4.043 -3.307 504 HD21 LEU 60 HD21 LEU 60 8.252 -6.244 -0.323 505 HD22 LEU 60 HD22 LEU 60 6.840 -5.706 -1.231 506 HD23 LEU 60 HD23 LEU 60 8.160 -4.579 -0.904 507 H SER 61 HN SER 61 6.118 -7.344 -1.813 508 HA SER 61 HA SER 61 4.671 -9.159 0.007 509 HB2 SER 61 HB2 SER 61 3.296 -7.120 0.548 510 HB3 SER 61 HB1 SER 61 5.001 -6.933 0.952 511 HG SER 61 HG SER 61 5.102 -5.320 -0.369 512 H LYS 62 HN LYS 62 2.113 -8.703 -0.411 513 HA LYS 62 HA LYS 62 1.376 -10.732 -1.757 514 HB2 LYS 62 HB2 LYS 62 -0.180 -9.201 -0.616 515 HB3 LYS 62 HB1 LYS 62 -0.189 -8.149 -2.027 516 HG2 LYS 62 HG2 LYS 62 -1.243 -9.950 -3.365 517 HG3 LYS 62 HG1 LYS 62 -1.206 -11.014 -1.953 518 HD2 LYS 62 HD2 LYS 62 -2.684 -9.420 -0.733 519 HD3 LYS 62 HD1 LYS 62 -2.748 -8.396 -2.171 520 HE2 LYS 62 HE2 LYS 62 -3.745 -11.261 -2.007 521 HE3 LYS 62 HE1 LYS 62 -4.759 -9.821 -1.934 522 HZ1 LYS 62 HZ1 LYS 62 -4.758 -10.776 -4.137 523 HZ2 LYS 62 HZ2 LYS 62 -3.079 -10.635 -4.252 524 HZ3 LYS 62 HZ3 LYS 62 -4.045 -9.250 -4.180 525 H GLU 63 HN GLU 63 0.570 -7.955 -3.957 526 HA GLU 63 HA GLU 63 0.450 -9.724 -6.161 527 HB2 GLU 63 HB2 GLU 63 -0.523 -7.130 -5.478 528 HB3 GLU 63 HB1 GLU 63 0.442 -6.887 -6.920 529 HG2 GLU 63 HG2 GLU 63 -1.716 -7.253 -7.671 530 HG3 GLU 63 HG1 GLU 63 -0.888 -8.773 -7.983 531 H ALA 64 HN ALA 64 2.732 -7.309 -5.092 532 HA ALA 64 HA ALA 64 4.417 -7.172 -7.334 533 HB1 ALA 64 HB1 ALA 64 4.503 -5.582 -5.468 534 HB2 ALA 64 HB2 ALA 64 6.093 -6.303 -5.728 535 HB3 ALA 64 HB3 ALA 64 5.083 -6.852 -4.386 536 H GLN 65 HN GLN 65 4.361 -9.301 -4.521 537 HA GLN 65 HA GLN 65 6.653 -10.865 -5.126 538 HB2 GLN 65 HB2 GLN 65 4.978 -10.735 -2.902 539 HB3 GLN 65 HB1 GLN 65 4.485 -12.266 -3.604 540 HG2 GLN 65 HG2 GLN 65 7.195 -11.469 -2.526 541 HG3 GLN 65 HG1 GLN 65 6.155 -12.787 -2.002 542 HE21 GLN 65 HE21 GLN 65 8.465 -11.717 -4.405 543 HE22 GLN 65 HE22 GLN 65 8.785 -13.272 -5.085 544 H LYS 66 HN LYS 66 3.297 -10.925 -6.219 545 HA LYS 66 HA LYS 66 3.381 -13.459 -7.502 546 HB2 LYS 66 HB2 LYS 66 1.254 -12.588 -6.781 547 HB3 LYS 66 HB1 LYS 66 1.461 -11.107 -7.710 548 HG2 LYS 66 HG2 LYS 66 1.258 -12.354 -9.807 549 HG3 LYS 66 HG1 LYS 66 1.179 -13.877 -8.926 550 HD2 LYS 66 HD2 LYS 66 -0.975 -13.177 -7.916 551 HD3 LYS 66 HD1 LYS 66 -0.884 -11.641 -8.789 552 HE2 LYS 66 HE2 LYS 66 -0.938 -12.885 -10.941 553 HE3 LYS 66 HE1 LYS 66 -1.073 -14.402 -10.054 554 HZ1 LYS 66 HZ1 LYS 66 -3.159 -13.627 -9.145 555 HZ2 LYS 66 HZ2 LYS 66 -3.206 -13.649 -10.828 556 HZ3 LYS 66 HZ3 LYS 66 -3.029 -12.181 -10.011 557 H LEU 67 HN LEU 67 3.749 -10.028 -8.778 558 HA LEU 67 HA LEU 67 4.242 -10.599 -11.349 559 HB2 LEU 67 HB2 LEU 67 5.492 -8.499 -9.537 560 HB3 LEU 67 HB1 LEU 67 5.602 -8.451 -11.287 561 HG LEU 67 HG LEU 67 2.990 -8.305 -9.715 562 HD11 LEU 67 HD11 LEU 67 2.908 -5.933 -10.306 563 HD12 LEU 67 HD12 LEU 67 4.487 -6.052 -11.090 564 HD13 LEU 67 HD13 LEU 67 4.346 -6.283 -9.346 565 HD21 LEU 67 HD21 LEU 67 3.491 -7.875 -12.681 566 HD22 LEU 67 HD22 LEU 67 1.948 -7.654 -11.854 567 HD23 LEU 67 HD23 LEU 67 2.665 -9.261 -11.964 568 H MET 68 HN MET 68 6.821 -10.176 -8.930 569 HA MET 68 HA MET 68 8.984 -11.325 -10.011 570 HB2 MET 68 HB2 MET 68 8.030 -11.808 -7.162 571 HB3 MET 68 HB1 MET 68 9.690 -12.024 -7.724 572 HG2 MET 68 HG2 MET 68 9.788 -9.632 -8.326 573 HG3 MET 68 HG1 MET 68 8.143 -9.420 -7.748 574 HE1 MET 68 HE1 MET 68 10.741 -7.662 -6.829 575 HE2 MET 68 HE2 MET 68 10.348 -7.480 -5.121 576 HE3 MET 68 HE3 MET 68 9.077 -7.337 -6.334 577 H LYS 69 HN LYS 69 6.287 -13.365 -8.676 578 HA LYS 69 HA LYS 69 7.631 -15.754 -9.847 579 HB2 LYS 69 HB2 LYS 69 6.070 -17.134 -8.573 580 HB3 LYS 69 HB1 LYS 69 6.844 -15.960 -7.512 581 HG2 LYS 69 HG2 LYS 69 4.791 -14.548 -7.665 582 HG3 LYS 69 HG1 LYS 69 4.022 -15.821 -8.613 583 HD2 LYS 69 HD2 LYS 69 4.201 -17.372 -6.703 584 HD3 LYS 69 HD1 LYS 69 5.041 -16.137 -5.758 585 HE2 LYS 69 HE2 LYS 69 3.017 -14.701 -5.865 586 HE3 LYS 69 HE1 LYS 69 2.183 -15.952 -6.787 587 HZ1 LYS 69 HZ1 LYS 69 1.575 -16.035 -4.474 588 HZ2 LYS 69 HZ2 LYS 69 3.187 -16.208 -4.011 589 HZ3 LYS 69 HZ3 LYS 69 2.427 -17.432 -4.886 590 H MET 70 HN MET 70 6.171 -13.620 -11.474 591 HA MET 70 HA MET 70 3.988 -14.854 -12.849 592 HB2 MET 70 HB2 MET 70 5.777 -12.503 -13.366 593 HB3 MET 70 HB1 MET 70 5.018 -13.190 -14.788 594 HG2 MET 70 HG2 MET 70 3.558 -12.136 -12.351 595 HG3 MET 70 HG1 MET 70 3.739 -11.312 -13.907 596 HE1 MET 70 HE1 MET 70 0.802 -11.305 -13.321 597 HE2 MET 70 HE2 MET 70 0.093 -12.149 -14.703 598 HE3 MET 70 HE3 MET 70 1.441 -11.028 -14.944 599 HA PRO 71 HA PRO 71 6.285 -17.498 -15.711 600 HB2 PRO 71 HB2 PRO 71 4.500 -17.175 -17.973 601 HB3 PRO 71 HB1 PRO 71 4.546 -18.494 -16.805 602 HG2 PRO 71 HG2 PRO 71 2.475 -16.650 -17.035 603 HG3 PRO 71 HG1 PRO 71 2.791 -17.636 -15.600 604 HD2 PRO 71 HD2 PRO 71 3.509 -14.770 -16.126 605 HD3 PRO 71 HD1 PRO 71 2.982 -15.548 -14.616 606 H PHE 72 HN PHE 72 5.118 -14.599 -17.579 607 HA PHE 72 HA PHE 72 7.600 -14.714 -19.167 608 HB2 PHE 72 HB2 PHE 72 4.815 -14.050 -20.252 609 HB3 PHE 72 HB1 PHE 72 6.316 -13.790 -21.133 610 HD1 PHE 72 HD2 PHE 72 4.064 -16.397 -19.750 611 HD2 PHE 72 HD1 PHE 72 7.396 -15.615 -22.311 612 HE1 PHE 72 HE2 PHE 72 3.906 -18.671 -20.650 613 HE2 PHE 72 HE1 PHE 72 7.233 -17.903 -23.209 614 HZ PHE 72 HZ PHE 72 5.492 -19.435 -22.378 615 H GLN 73 HN GLN 73 8.514 -12.614 -19.443 616 HA GLN 73 HA GLN 73 7.073 -10.178 -18.985 617 HB2 GLN 73 HB2 GLN 73 8.182 -9.365 -16.930 618 HB3 GLN 73 HB1 GLN 73 7.194 -10.777 -16.620 619 HG2 GLN 73 HG2 GLN 73 10.201 -10.928 -16.950 620 HG3 GLN 73 HG1 GLN 73 9.425 -10.631 -15.401 621 HE21 GLN 73 HE21 GLN 73 8.141 -12.306 -14.475 622 HE22 GLN 73 HE22 GLN 73 8.381 -13.961 -14.912 623 H ARG 74 HN ARG 74 8.559 -8.222 -18.678 624 HA ARG 74 HA ARG 74 11.273 -8.188 -19.360 625 HB2 ARG 74 HB2 ARG 74 11.227 -7.334 -21.681 626 HB3 ARG 74 HB1 ARG 74 10.533 -8.949 -21.615 627 HG2 ARG 74 HG2 ARG 74 8.254 -7.962 -21.719 628 HG3 ARG 74 HG1 ARG 74 8.961 -6.349 -21.817 629 HD2 ARG 74 HD2 ARG 74 10.054 -6.953 -23.947 630 HD3 ARG 74 HD1 ARG 74 9.376 -8.580 -23.842 631 HE ARG 74 HE ARG 74 7.193 -6.941 -23.744 632 HH11 ARG 74 HH11 ARG 74 9.831 -7.143 -26.041 633 HH12 ARG 74 HH12 ARG 74 8.824 -6.825 -27.415 634 HH21 ARG 74 HH21 ARG 74 5.873 -6.541 -25.564 635 HH22 ARG 74 HH22 ARG 74 6.582 -6.465 -27.143 636 H ALA 75 HN ALA 75 11.734 -5.844 -20.325 637 HA ALA 75 HA ALA 75 9.999 -3.773 -19.015 638 HB1 ALA 75 HB1 ALA 75 11.980 -2.275 -19.058 639 HB2 ALA 75 HB2 ALA 75 12.947 -3.571 -19.766 640 HB3 ALA 75 HB3 ALA 75 12.308 -3.741 -18.133 641 H ILE 76 HN ILE 76 9.458 -1.747 -20.620 642 HA ILE 76 HA ILE 76 8.940 -3.229 -23.113 643 HB ILE 76 HB ILE 76 7.512 -0.818 -21.881 644 HG12 ILE 76 HG12 ILE 76 7.078 -2.850 -20.545 645 HG13 ILE 76 HG11 ILE 76 5.628 -2.392 -21.425 646 HG21 ILE 76 HG21 ILE 76 5.786 -1.182 -23.613 647 HG22 ILE 76 HG22 ILE 76 6.773 -2.452 -24.341 648 HG23 ILE 76 HG23 ILE 76 7.351 -0.784 -24.321 649 HD11 ILE 76 HD11 ILE 76 7.522 -4.632 -22.186 650 HD12 ILE 76 HD12 ILE 76 6.064 -4.178 -23.073 651 HD13 ILE 76 HD13 ILE 76 5.938 -4.810 -21.432 652 H THR 77 HN THR 77 10.116 -2.598 -24.816 653 HA THR 77 HA THR 77 11.889 -0.352 -24.838 654 HB THR 77 HB THR 77 12.427 -1.142 -27.177 655 HG1 THR 77 HG1 THR 77 10.861 -3.427 -26.867 656 HG21 THR 77 HG21 THR 77 12.353 -3.348 -25.085 657 HG22 THR 77 HG22 THR 77 13.650 -2.169 -25.303 658 HG23 THR 77 HG23 THR 77 13.328 -3.372 -26.554 659 H LYS 78 HN LYS 78 11.781 0.790 -27.381 660 HA LYS 78 HA LYS 78 9.643 2.686 -26.701 661 HB2 LYS 78 HB2 LYS 78 12.128 2.994 -28.447 662 HB3 LYS 78 HB1 LYS 78 10.941 4.266 -28.161 663 HG2 LYS 78 HG2 LYS 78 11.487 4.263 -25.766 664 HG3 LYS 78 HG1 LYS 78 12.641 2.954 -26.010 665 HD2 LYS 78 HD2 LYS 78 12.896 5.709 -27.296 666 HD3 LYS 78 HD1 LYS 78 13.673 5.251 -25.784 667 HE2 LYS 78 HE2 LYS 78 15.350 5.008 -27.445 668 HE3 LYS 78 HE1 LYS 78 14.817 3.368 -27.093 669 HZ1 LYS 78 HZ1 LYS 78 13.904 4.994 -29.408 670 HZ2 LYS 78 HZ2 LYS 78 13.510 3.378 -29.104 671 HZ3 LYS 78 HZ3 LYS 78 15.101 3.800 -29.466 672 H LYS 79 HN LYS 79 10.153 0.183 -28.647 673 HA LYS 79 HA LYS 79 8.962 1.103 -31.163 674 HB2 LYS 79 HB2 LYS 79 9.944 -1.659 -30.319 675 HB3 LYS 79 HB1 LYS 79 9.247 -1.297 -31.901 676 HG2 LYS 79 HG2 LYS 79 11.067 0.302 -32.349 677 HG3 LYS 79 HG1 LYS 79 11.771 -0.044 -30.766 678 HD2 LYS 79 HD2 LYS 79 12.142 -2.391 -31.447 679 HD3 LYS 79 HD1 LYS 79 11.411 -2.055 -33.020 680 HE2 LYS 79 HE2 LYS 79 13.212 -0.427 -33.508 681 HE3 LYS 79 HE1 LYS 79 13.945 -0.763 -31.938 682 HZ1 LYS 79 HZ1 LYS 79 15.065 -1.974 -33.666 683 HZ2 LYS 79 HZ2 LYS 79 13.626 -2.688 -34.181 684 HZ3 LYS 79 HZ3 LYS 79 14.260 -3.070 -32.661 685 H GLU 80 HN GLU 80 8.219 -1.005 -28.372 686 HA GLU 80 HA GLU 80 5.578 -1.731 -29.310 687 HB2 GLU 80 HB2 GLU 80 6.959 -2.062 -26.604 688 HB3 GLU 80 HB1 GLU 80 5.452 -2.834 -27.083 689 HG2 GLU 80 HG2 GLU 80 8.159 -3.329 -28.360 690 HG3 GLU 80 HG1 GLU 80 7.394 -4.363 -27.153 691 H GLN 81 HN GLN 81 7.033 0.238 -26.772 692 HA GLN 81 HA GLN 81 5.011 1.870 -26.091 693 HB2 GLN 81 HB2 GLN 81 7.867 2.772 -26.494 694 HB3 GLN 81 HB1 GLN 81 6.643 3.758 -25.698 695 HG2 GLN 81 HG2 GLN 81 6.346 2.082 -23.965 696 HG3 GLN 81 HG1 GLN 81 7.469 0.992 -24.777 697 HE21 GLN 81 HE21 GLN 81 7.605 1.971 -22.103 698 HE22 GLN 81 HE22 GLN 81 9.114 2.786 -21.954 699 H ALA 82 HN ALA 82 6.609 2.174 -29.315 700 HA ALA 82 HA ALA 82 5.707 4.760 -29.951 701 HB1 ALA 82 HB1 ALA 82 6.121 4.083 -32.287 702 HB2 ALA 82 HB2 ALA 82 6.247 2.393 -31.786 703 HB3 ALA 82 HB3 ALA 82 7.441 3.569 -31.237 704 H ASP 83 HN ASP 83 4.230 1.526 -30.400 705 HA ASP 83 HA ASP 83 1.607 2.828 -30.179 706 HB2 ASP 83 HB2 ASP 83 1.853 2.330 -32.604 707 HB3 ASP 83 HB1 ASP 83 2.121 0.626 -32.230 708 H MET 84 HN MET 84 1.100 2.204 -28.237 709 HA MET 84 HA MET 84 1.728 -0.271 -26.984 710 HB2 MET 84 HB2 MET 84 0.587 2.246 -26.199 711 HB3 MET 84 HB1 MET 84 -0.587 1.030 -25.727 712 HG2 MET 84 HG2 MET 84 0.942 1.498 -23.907 713 HG3 MET 84 HG1 MET 84 1.175 -0.161 -24.480 714 HE1 MET 84 HE1 MET 84 3.549 -0.347 -23.358 715 HE2 MET 84 HE2 MET 84 3.329 1.264 -22.670 716 HE3 MET 84 HE3 MET 84 4.819 0.858 -23.526 717 H GLY 85 HN GLY 85 -0.840 0.793 -29.028 718 HA2 GLY 85 HA2 GLY 85 -2.898 -1.079 -28.374 719 HA3 GLY 85 HA1 GLY 85 -2.719 -0.263 -29.924 720 H LYS 86 HN LYS 86 -0.702 -1.093 -31.169 721 HA LYS 86 HA LYS 86 -0.787 -3.720 -31.989 722 HB2 LYS 86 HB2 LYS 86 0.359 -2.057 -33.271 723 HB3 LYS 86 HB1 LYS 86 1.473 -1.698 -31.971 724 HG2 LYS 86 HG2 LYS 86 1.571 -4.469 -33.119 725 HG3 LYS 86 HG1 LYS 86 2.147 -3.161 -34.147 726 HD2 LYS 86 HD2 LYS 86 3.188 -3.834 -31.367 727 HD3 LYS 86 HD1 LYS 86 4.002 -4.195 -32.891 728 HE2 LYS 86 HE2 LYS 86 4.101 -1.722 -33.352 729 HE3 LYS 86 HE1 LYS 86 3.422 -1.436 -31.746 730 HZ1 LYS 86 HZ1 LYS 86 5.991 -2.771 -32.358 731 HZ2 LYS 86 HZ2 LYS 86 5.352 -2.583 -30.813 732 HZ3 LYS 86 HZ3 LYS 86 5.799 -1.226 -31.715 733 H LEU 87 HN LEU 87 1.224 -2.339 -29.462 734 HA LEU 87 HA LEU 87 2.840 -4.602 -28.793 735 HB2 LEU 87 HB2 LEU 87 3.514 -2.606 -27.725 736 HB3 LEU 87 HB1 LEU 87 1.890 -2.231 -27.183 737 HG LEU 87 HG LEU 87 2.031 -4.037 -25.471 738 HD11 LEU 87 HD11 LEU 87 3.611 -5.573 -26.532 739 HD12 LEU 87 HD12 LEU 87 4.151 -5.138 -24.914 740 HD13 LEU 87 HD13 LEU 87 4.915 -4.402 -26.323 741 HD21 LEU 87 HD21 LEU 87 4.290 -2.036 -25.314 742 HD22 LEU 87 HD22 LEU 87 3.583 -2.913 -23.955 743 HD23 LEU 87 HD23 LEU 87 2.605 -1.757 -24.855 744 H LYS 88 HN LYS 88 -0.083 -3.518 -26.984 745 HA LYS 88 HA LYS 88 -0.299 -5.701 -25.310 746 HB2 LYS 88 HB2 LYS 88 -2.260 -3.544 -26.135 747 HB3 LYS 88 HB1 LYS 88 -2.678 -4.749 -24.914 748 HG2 LYS 88 HG2 LYS 88 -0.720 -4.045 -23.577 749 HG3 LYS 88 HG1 LYS 88 -0.347 -2.803 -24.770 750 HD2 LYS 88 HD2 LYS 88 -2.367 -1.598 -24.214 751 HD3 LYS 88 HD1 LYS 88 -2.949 -2.929 -23.206 752 HE2 LYS 88 HE2 LYS 88 -1.099 -2.567 -21.610 753 HE3 LYS 88 HE1 LYS 88 -0.453 -1.275 -22.631 754 HZ1 LYS 88 HZ1 LYS 88 -2.534 -0.048 -22.259 755 HZ2 LYS 88 HZ2 LYS 88 -1.690 -0.348 -20.826 756 HZ3 LYS 88 HZ3 LYS 88 -3.058 -1.264 -21.213 757 H LYS 89 HN LYS 89 -1.815 -5.264 -28.505 758 HA LYS 89 HA LYS 89 -3.885 -7.200 -28.189 759 HB2 LYS 89 HB2 LYS 89 -4.222 -7.087 -30.594 760 HB3 LYS 89 HB1 LYS 89 -3.972 -5.470 -29.954 761 HG2 LYS 89 HG2 LYS 89 -1.785 -5.314 -30.889 762 HG3 LYS 89 HG1 LYS 89 -1.713 -7.043 -31.227 763 HD2 LYS 89 HD2 LYS 89 -2.065 -5.692 -33.288 764 HD3 LYS 89 HD1 LYS 89 -3.390 -6.817 -32.989 765 HE2 LYS 89 HE2 LYS 89 -4.240 -4.639 -33.737 766 HE3 LYS 89 HE1 LYS 89 -4.761 -4.973 -32.089 767 HZ1 LYS 89 HZ1 LYS 89 -4.043 -2.709 -32.299 768 HZ2 LYS 89 HZ2 LYS 89 -2.534 -3.187 -32.890 769 HZ3 LYS 89 HZ3 LYS 89 -2.972 -3.544 -31.296 770 H SER 90 HN SER 90 -0.641 -7.871 -28.173 771 HA SER 90 HA SER 90 -0.939 -10.554 -29.353 772 HB2 SER 90 HB2 SER 90 1.439 -8.671 -29.373 773 HB3 SER 90 HB1 SER 90 1.457 -10.322 -29.973 774 HG SER 90 HG SER 90 -0.354 -9.597 -31.358 775 H VAL 91 HN VAL 91 -1.064 -9.370 -26.455 776 HA VAL 91 HA VAL 91 1.207 -10.922 -25.284 777 HB VAL 91 HB VAL 91 -0.063 -8.481 -23.995 778 HG11 VAL 91 HG11 VAL 91 2.546 -9.954 -23.500 779 HG12 VAL 91 HG12 VAL 91 1.130 -9.932 -22.450 780 HG13 VAL 91 HG13 VAL 91 2.069 -8.456 -22.690 781 HG21 VAL 91 HG21 VAL 91 0.886 -7.755 -26.133 782 HG22 VAL 91 HG22 VAL 91 2.411 -8.559 -25.765 783 HG23 VAL 91 HG23 VAL 91 1.890 -7.174 -24.805 784 H ARG 92 HN ARG 92 -2.229 -10.300 -25.019 785 HA ARG 92 HA ARG 92 -3.933 -11.103 -23.801 786 HB2 ARG 92 HB2 ARG 92 -3.153 -13.362 -24.366 787 HB3 ARG 92 HB1 ARG 92 -2.016 -13.340 -23.025 788 HG2 ARG 92 HG2 ARG 92 -3.985 -13.179 -21.445 789 HG3 ARG 92 HG1 ARG 92 -5.049 -13.402 -22.837 790 HD2 ARG 92 HD2 ARG 92 -2.937 -15.382 -21.903 791 HD3 ARG 92 HD1 ARG 92 -4.661 -15.499 -21.551 792 HE ARG 92 HE ARG 92 -4.785 -15.463 -24.173 793 HH11 ARG 92 HH11 ARG 92 -2.418 -17.219 -22.252 794 HH12 ARG 92 HH12 ARG 92 -2.331 -18.542 -23.371 795 HH21 ARG 92 HH21 ARG 92 -4.638 -17.193 -25.619 796 HH22 ARG 92 HH22 ARG 92 -3.586 -18.528 -25.274 797 H GLY 93 HN GLY 93 -1.213 -11.915 -21.537 798 HA2 GLY 93 HA2 GLY 93 -2.801 -10.793 -19.324 799 HA3 GLY 93 HA1 GLY 93 -1.411 -11.852 -19.188 800 H LEU 94 HN LEU 94 -1.620 -8.913 -21.003 801 HA LEU 94 HA LEU 94 0.916 -8.016 -19.965 802 HB2 LEU 94 HB2 LEU 94 0.215 -7.417 -22.280 803 HB3 LEU 94 HB1 LEU 94 -0.855 -6.202 -21.614 804 HG LEU 94 HG LEU 94 0.963 -4.835 -20.847 805 HD11 LEU 94 HD11 LEU 94 2.370 -6.509 -19.753 806 HD12 LEU 94 HD12 LEU 94 3.350 -5.537 -20.846 807 HD13 LEU 94 HD13 LEU 94 2.863 -7.169 -21.317 808 HD21 LEU 94 HD21 LEU 94 2.312 -4.391 -22.800 809 HD22 LEU 94 HD22 LEU 94 0.703 -4.843 -23.336 810 HD23 LEU 94 HD23 LEU 94 2.011 -6.005 -23.441 811 H VAL 95 HN VAL 95 1.354 -7.057 -18.371 812 HA VAL 95 HA VAL 95 -0.333 -5.111 -16.850 813 HB VAL 95 HB VAL 95 1.866 -6.910 -15.678 814 HG11 VAL 95 HG11 VAL 95 -0.004 -4.971 -14.255 815 HG12 VAL 95 HG12 VAL 95 1.729 -4.754 -14.498 816 HG13 VAL 95 HG13 VAL 95 1.142 -6.056 -13.462 817 HG21 VAL 95 HG21 VAL 95 0.060 -8.098 -14.468 818 HG22 VAL 95 HG22 VAL 95 -0.140 -8.245 -16.215 819 HG23 VAL 95 HG23 VAL 95 -1.153 -7.123 -15.300 820 H VAL 96 HN VAL 96 0.793 -2.998 -16.518 821 HA VAL 96 HA VAL 96 3.519 -2.786 -17.539 822 HB VAL 96 HB VAL 96 1.260 -0.935 -18.476 823 HG11 VAL 96 HG11 VAL 96 4.206 -0.959 -19.235 824 HG12 VAL 96 HG12 VAL 96 3.388 0.262 -18.254 825 HG13 VAL 96 HG13 VAL 96 2.974 0.079 -19.961 826 HG21 VAL 96 HG21 VAL 96 1.610 -1.846 -20.754 827 HG22 VAL 96 HG22 VAL 96 1.083 -3.104 -19.635 828 HG23 VAL 96 HG23 VAL 96 2.779 -3.007 -20.116 829 H VAL 97 HN VAL 97 4.579 -1.779 -16.005 830 HA VAL 97 HA VAL 97 3.168 -0.196 -13.914 831 HB VAL 97 HB VAL 97 5.799 -1.693 -13.564 832 HG11 VAL 97 HG11 VAL 97 5.453 0.111 -11.930 833 HG12 VAL 97 HG12 VAL 97 5.356 -1.463 -11.142 834 HG13 VAL 97 HG13 VAL 97 3.878 -0.561 -11.491 835 HG21 VAL 97 HG21 VAL 97 4.535 -3.485 -12.403 836 HG22 VAL 97 HG22 VAL 97 4.034 -3.341 -14.089 837 HG23 VAL 97 HG23 VAL 97 3.014 -2.682 -12.809 838 H HIS 98 HN HIS 98 3.818 1.973 -13.593 839 HA HIS 98 HA HIS 98 5.867 3.003 -15.426 840 HB2 HIS 98 HB2 HIS 98 3.571 3.834 -15.816 841 HB3 HIS 98 HB1 HIS 98 3.437 4.313 -14.137 842 HD2 HIS 98 HD2 HIS 98 5.056 5.546 -17.462 843 HE1 HIS 98 HE1 HIS 98 5.425 8.591 -14.556 844 HE2 HIS 98 HE2 HIS 98 5.653 8.025 -17.007 845 HA PRO 99 HA PRO 99 8.615 3.992 -11.995 846 HB2 PRO 99 HB2 PRO 99 9.480 6.523 -12.998 847 HB3 PRO 99 HB1 PRO 99 10.210 4.955 -13.303 848 HG2 PRO 99 HG2 PRO 99 8.233 6.473 -14.965 849 HG3 PRO 99 HG1 PRO 99 9.640 5.518 -15.483 850 HD2 PRO 99 HD2 PRO 99 7.204 4.516 -15.734 851 HD3 PRO 99 HD1 PRO 99 8.517 3.467 -15.148 852 H MET 100 HN MET 100 6.731 6.901 -13.024 853 HA MET 100 HA MET 100 7.305 8.166 -10.456 854 HB2 MET 100 HB2 MET 100 5.759 9.254 -12.831 855 HB3 MET 100 HB1 MET 100 6.266 10.181 -11.423 856 HG2 MET 100 HG2 MET 100 8.651 9.550 -12.042 857 HG3 MET 100 HG1 MET 100 7.995 8.987 -13.580 858 HE1 MET 100 HE1 MET 100 6.464 10.671 -15.163 859 HE2 MET 100 HE2 MET 100 6.328 12.402 -14.847 860 HE3 MET 100 HE3 MET 100 5.546 11.243 -13.771 861 H THR 101 HN THR 101 4.868 6.146 -11.504 862 HA THR 101 HA THR 101 2.636 7.249 -10.077 863 HB THR 101 HB THR 101 1.615 5.009 -10.237 864 HG1 THR 101 HG1 THR 101 3.608 3.779 -11.648 865 HG21 THR 101 HG21 THR 101 3.045 5.761 -12.810 866 HG22 THR 101 HG22 THR 101 1.500 6.412 -12.254 867 HG23 THR 101 HG23 THR 101 1.633 4.707 -12.687 868 H ALA 102 HN ALA 102 1.665 6.000 -8.205 869 HA ALA 102 HA ALA 102 3.205 5.952 -5.920 870 HB1 ALA 102 HB1 ALA 102 0.756 6.009 -5.875 871 HB2 ALA 102 HB2 ALA 102 1.357 4.675 -4.891 872 HB3 ALA 102 HB3 ALA 102 0.685 4.355 -6.492 873 H LEU 103 HN LEU 103 2.139 3.100 -7.823 874 HA LEU 103 HA LEU 103 3.398 1.108 -6.243 875 HB2 LEU 103 HB2 LEU 103 1.482 0.699 -7.817 876 HB3 LEU 103 HB1 LEU 103 2.588 0.897 -9.166 877 HG LEU 103 HG LEU 103 3.908 -1.077 -8.309 878 HD11 LEU 103 HD11 LEU 103 1.620 -1.409 -6.340 879 HD12 LEU 103 HD12 LEU 103 3.293 -1.009 -5.942 880 HD13 LEU 103 HD13 LEU 103 2.905 -2.582 -6.631 881 HD21 LEU 103 HD21 LEU 103 0.993 -1.673 -8.921 882 HD22 LEU 103 HD22 LEU 103 2.342 -2.803 -9.075 883 HD23 LEU 103 HD23 LEU 103 2.265 -1.381 -10.113 884 H GLY 104 HN GLY 104 4.457 2.641 -9.399 885 HA2 GLY 104 HA2 GLY 104 6.883 1.474 -9.816 886 HA3 GLY 104 HA1 GLY 104 6.564 3.176 -10.088 887 H ARG 105 HN ARG 105 6.897 4.631 -8.264 888 HA ARG 105 HA ARG 105 9.189 4.658 -6.834 889 HB2 ARG 105 HB2 ARG 105 6.526 5.735 -5.822 890 HB3 ARG 105 HB1 ARG 105 8.102 6.207 -5.181 891 HG2 ARG 105 HG2 ARG 105 8.720 7.184 -7.352 892 HG3 ARG 105 HG1 ARG 105 7.185 6.658 -8.043 893 HD2 ARG 105 HD2 ARG 105 7.444 8.627 -5.739 894 HD3 ARG 105 HD1 ARG 105 7.236 9.079 -7.434 895 HE ARG 105 HE ARG 105 5.100 7.672 -7.260 896 HH11 ARG 105 HH11 ARG 105 6.329 9.610 -4.595 897 HH12 ARG 105 HH12 ARG 105 4.750 9.885 -3.931 898 HH21 ARG 105 HH21 ARG 105 3.058 8.071 -6.382 899 HH22 ARG 105 HH22 ARG 105 2.911 9.026 -4.941 900 H GLU 106 HN GLU 106 6.301 3.150 -5.759 901 HA GLU 106 HA GLU 106 6.956 2.162 -3.229 902 HB2 GLU 106 HB2 GLU 106 4.688 1.804 -4.271 903 HB3 GLU 106 HB1 GLU 106 5.379 0.510 -5.239 904 HG2 GLU 106 HG2 GLU 106 4.218 -0.480 -3.380 905 HG3 GLU 106 HG1 GLU 106 5.952 -0.731 -3.143 906 H MET 107 HN MET 107 7.152 0.025 -6.115 907 HA MET 107 HA MET 107 9.003 -1.778 -4.834 908 HB2 MET 107 HB2 MET 107 8.268 -1.756 -7.792 909 HB3 MET 107 HB1 MET 107 9.033 -3.064 -6.912 910 HG2 MET 107 HG2 MET 107 6.819 -2.961 -5.455 911 HG3 MET 107 HG1 MET 107 6.161 -2.207 -6.907 912 HE1 MET 107 HE1 MET 107 6.091 -3.526 -9.344 913 HE2 MET 107 HE2 MET 107 6.697 -5.177 -9.547 914 HE3 MET 107 HE3 MET 107 7.826 -3.846 -9.256 915 H GLY 108 HN GLY 108 9.542 1.210 -6.129 916 HA2 GLY 108 HA2 GLY 108 11.487 2.387 -6.384 917 HA3 GLY 108 HA1 GLY 108 12.400 0.918 -6.069 918 H LEU 109 HN LEU 109 9.978 1.234 -8.604 919 HA LEU 109 HA LEU 109 11.941 0.675 -10.676 920 HB2 LEU 109 HB2 LEU 109 8.946 1.160 -10.946 921 HB3 LEU 109 HB1 LEU 109 10.013 0.534 -12.197 922 HG LEU 109 HG LEU 109 9.143 -0.886 -9.643 923 HD11 LEU 109 HD11 LEU 109 7.491 -0.914 -11.461 924 HD12 LEU 109 HD12 LEU 109 8.139 -2.523 -11.163 925 HD13 LEU 109 HD13 LEU 109 8.692 -1.597 -12.561 926 HD21 LEU 109 HD21 LEU 109 10.503 -2.806 -10.311 927 HD22 LEU 109 HD22 LEU 109 11.537 -1.401 -10.071 928 HD23 LEU 109 HD23 LEU 109 11.125 -1.926 -11.709 929 H GLU 110 HN GLU 110 12.935 2.232 -11.806 930 HA GLU 110 HA GLU 110 11.727 4.931 -12.063 931 HB2 GLU 110 HB2 GLU 110 14.046 5.762 -12.428 932 HB3 GLU 110 HB1 GLU 110 13.827 5.022 -10.844 933 HG2 GLU 110 HG2 GLU 110 14.840 2.891 -11.838 934 HG3 GLU 110 HG1 GLU 110 15.268 3.862 -13.248 935 H GLU 111 HN GLU 111 11.827 2.174 -13.685 936 HA GLU 111 HA GLU 111 11.692 3.509 -16.325 937 HB2 GLU 111 HB2 GLU 111 13.918 2.264 -15.989 938 HB3 GLU 111 HB1 GLU 111 12.991 0.773 -15.921 939 HG2 GLU 111 HG2 GLU 111 13.933 1.060 -18.138 940 HG3 GLU 111 HG1 GLU 111 12.175 1.184 -18.222 941 H MET 112 HN MET 112 10.031 2.687 -17.722 942 HA MET 112 HA MET 112 7.822 1.393 -16.442 943 HB2 MET 112 HB2 MET 112 7.352 3.044 -18.170 944 HB3 MET 112 HB1 MET 112 8.322 2.164 -19.352 945 HG2 MET 112 HG2 MET 112 6.715 0.380 -19.460 946 HG3 MET 112 HG1 MET 112 5.805 1.039 -18.102 947 HE1 MET 112 HE1 MET 112 4.095 2.875 -18.213 948 HE2 MET 112 HE2 MET 112 3.932 4.027 -19.543 949 HE3 MET 112 HE3 MET 112 5.387 4.033 -18.548 950 H THR 113 HN THR 113 7.481 -0.818 -16.260 951 HA THR 113 HA THR 113 9.163 -2.644 -17.844 952 HB THR 113 HB THR 113 8.407 -2.738 -14.864 953 HG1 THR 113 HG1 THR 113 10.131 -1.235 -15.684 954 HG21 THR 113 HG21 THR 113 10.195 -4.636 -16.433 955 HG22 THR 113 HG22 THR 113 8.602 -5.021 -15.772 956 HG23 THR 113 HG23 THR 113 9.943 -4.656 -14.680 957 H GLY 114 HN GLY 114 7.792 -4.764 -18.314 958 HA2 GLY 114 HA2 GLY 114 5.106 -4.743 -17.127 959 HA3 GLY 114 HA1 GLY 114 5.298 -4.791 -18.869 960 H PHE 115 HN PHE 115 4.192 -6.658 -16.723 961 HA PHE 115 HA PHE 115 5.732 -9.137 -17.259 962 HB2 PHE 115 HB2 PHE 115 3.605 -8.572 -15.138 963 HB3 PHE 115 HB1 PHE 115 4.550 -10.053 -15.286 964 HD1 PHE 115 HD2 PHE 115 4.794 -6.396 -14.539 965 HD2 PHE 115 HD1 PHE 115 6.731 -10.205 -14.285 966 HE1 PHE 115 HE2 PHE 115 6.508 -5.433 -13.052 967 HE2 PHE 115 HE1 PHE 115 8.441 -9.230 -12.807 968 HZ PHE 115 HZ PHE 115 8.330 -6.850 -12.185 969 H SER 116 HN SER 116 4.134 -11.172 -17.332 970 HA SER 116 HA SER 116 1.592 -10.807 -18.481 971 HB2 SER 116 HB2 SER 116 2.886 -10.004 -20.444 972 HB3 SER 116 HB1 SER 116 3.739 -11.547 -20.503 973 HG SER 116 HG SER 116 2.077 -11.749 -21.914 974 H LYS 117 HN LYS 117 0.517 -12.721 -18.886 975 HA LYS 117 HA LYS 117 1.617 -15.178 -17.790 976 HB2 LYS 117 HB2 LYS 117 -1.079 -14.352 -18.904 977 HB3 LYS 117 HB1 LYS 117 -0.727 -16.027 -18.504 978 HG2 LYS 117 HG2 LYS 117 -0.391 -13.789 -16.482 979 HG3 LYS 117 HG1 LYS 117 -1.925 -14.632 -16.693 980 HD2 LYS 117 HD2 LYS 117 0.722 -15.944 -15.951 981 HD3 LYS 117 HD1 LYS 117 -0.575 -15.558 -14.823 982 HE2 LYS 117 HE2 LYS 117 -2.057 -17.157 -15.874 983 HE3 LYS 117 HE1 LYS 117 -0.915 -17.432 -17.190 984 HZ1 LYS 117 HZ1 LYS 117 -0.422 -18.103 -14.343 985 HZ2 LYS 117 HZ2 LYS 117 0.622 -18.417 -15.635 986 HZ3 LYS 117 HZ3 LYS 117 -0.869 -19.205 -15.550 987 H THR 118 HN THR 118 1.512 -13.666 -20.829 988 HA THR 118 HA THR 118 2.035 -16.172 -22.284 989 HB THR 118 HB THR 118 0.292 -13.977 -23.484 990 HG1 THR 118 HG1 THR 118 -0.438 -16.038 -21.691 991 HG21 THR 118 HG21 THR 118 -0.573 -15.791 -24.885 992 HG22 THR 118 HG22 THR 118 0.425 -16.963 -24.024 993 HG23 THR 118 HG23 THR 118 1.184 -15.718 -25.021 994 H THR 119 HN THR 119 2.880 -15.532 -24.596 995 HA THR 119 HA THR 119 5.371 -14.245 -24.106 996 HB THR 119 HB THR 119 5.249 -16.255 -25.492 997 HG1 THR 119 HG1 THR 119 6.067 -14.096 -27.167 998 HG21 THR 119 HG21 THR 119 3.059 -15.901 -26.600 999 HG22 THR 119 HG22 THR 119 4.327 -16.246 -27.778 1000 HG23 THR 119 HG23 THR 119 3.758 -14.591 -27.557 1001 H PHE 120 HN PHE 120 6.309 -12.495 -25.146 1002 HA PHE 120 HA PHE 120 5.056 -10.866 -27.090 1003 HB2 PHE 120 HB2 PHE 120 4.807 -8.776 -25.795 1004 HB3 PHE 120 HB1 PHE 120 3.713 -10.029 -25.247 1005 HD1 PHE 120 HD2 PHE 120 5.653 -11.523 -23.365 1006 HD2 PHE 120 HD1 PHE 120 4.815 -7.365 -23.913 1007 HE1 PHE 120 HE2 PHE 120 6.279 -11.087 -21.037 1008 HE2 PHE 120 HE1 PHE 120 5.438 -6.945 -21.571 1009 HZ PHE 120 HZ PHE 120 6.169 -8.799 -20.137 Start of MODEL 17 1 H MET 1 HT1 MET 1 -13.467 -8.071 -1.402 2 HA MET 1 HA MET 1 -11.910 -5.707 -0.584 3 HB2 MET 1 HB2 MET 1 -11.408 -6.361 -2.921 4 HB3 MET 1 HB1 MET 1 -13.127 -6.390 -3.300 5 HG2 MET 1 HG2 MET 1 -13.253 -3.959 -2.880 6 HG3 MET 1 HG1 MET 1 -11.529 -3.939 -2.494 7 HE1 MET 1 HE1 MET 1 -11.580 -2.127 -5.967 8 HE2 MET 1 HE2 MET 1 -11.064 -2.030 -4.283 9 HE3 MET 1 HE3 MET 1 -12.782 -1.978 -4.686 10 H LYS 2 HN LYS 2 -13.207 -4.591 0.728 11 HA LYS 2 HA LYS 2 -16.134 -4.559 0.397 12 HB2 LYS 2 HB2 LYS 2 -14.694 -2.909 2.487 13 HB3 LYS 2 HB1 LYS 2 -16.269 -3.693 2.579 14 HG2 LYS 2 HG2 LYS 2 -15.123 -5.892 2.771 15 HG3 LYS 2 HG1 LYS 2 -13.565 -5.062 2.720 16 HD2 LYS 2 HD2 LYS 2 -15.693 -4.813 4.867 17 HD3 LYS 2 HD1 LYS 2 -14.121 -5.585 5.019 18 HE2 LYS 2 HE2 LYS 2 -14.599 -2.618 4.599 19 HE3 LYS 2 HE1 LYS 2 -14.166 -3.382 6.122 20 HZ1 LYS 2 HZ1 LYS 2 -12.061 -4.018 5.198 21 HZ2 LYS 2 HZ2 LYS 2 -12.278 -2.354 4.992 22 HZ3 LYS 2 HZ3 LYS 2 -12.486 -3.399 3.683 23 H GLU 3 HN GLU 3 -13.300 -2.772 -0.245 24 HA GLU 3 HA GLU 3 -12.937 -1.242 -1.920 25 HB2 GLU 3 HB2 GLU 3 -15.659 -1.453 -2.332 26 HB3 GLU 3 HB1 GLU 3 -15.561 0.211 -1.793 27 HG2 GLU 3 HG2 GLU 3 -14.031 -0.948 -4.155 28 HG3 GLU 3 HG1 GLU 3 -15.551 -0.070 -4.271 29 H VAL 4 HN VAL 4 -14.546 -0.560 1.075 30 HA VAL 4 HA VAL 4 -13.620 2.150 1.413 31 HB VAL 4 HB VAL 4 -14.621 1.944 3.704 32 HG11 VAL 4 HG11 VAL 4 -16.005 2.733 1.836 33 HG12 VAL 4 HG12 VAL 4 -16.979 1.776 2.952 34 HG13 VAL 4 HG13 VAL 4 -16.443 1.073 1.421 35 HG21 VAL 4 HG21 VAL 4 -14.210 -0.467 4.089 36 HG22 VAL 4 HG22 VAL 4 -15.374 -0.879 2.829 37 HG23 VAL 4 HG23 VAL 4 -15.916 -0.075 4.304 38 H GLU 5 HN GLU 5 -11.920 -0.583 1.480 39 HA GLU 5 HA GLU 5 -10.168 -0.546 3.649 40 HB2 GLU 5 HB2 GLU 5 -9.407 -1.026 0.741 41 HB3 GLU 5 HB1 GLU 5 -8.284 -1.264 2.068 42 HG2 GLU 5 HG2 GLU 5 -9.076 -3.411 1.534 43 HG3 GLU 5 HG1 GLU 5 -9.909 -2.957 3.020 44 H LYS 6 HN LYS 6 -9.862 1.369 0.681 45 HA LYS 6 HA LYS 6 -7.853 3.182 1.153 46 HB2 LYS 6 HB2 LYS 6 -10.645 4.020 0.258 47 HB3 LYS 6 HB1 LYS 6 -9.136 4.839 -0.124 48 HG2 LYS 6 HG2 LYS 6 -8.462 3.041 -1.604 49 HG3 LYS 6 HG1 LYS 6 -9.837 2.050 -1.094 50 HD2 LYS 6 HD2 LYS 6 -9.940 4.639 -2.710 51 HD3 LYS 6 HD1 LYS 6 -10.337 3.012 -3.275 52 HE2 LYS 6 HE2 LYS 6 -12.235 2.956 -1.652 53 HE3 LYS 6 HE1 LYS 6 -11.871 4.618 -1.189 54 HZ1 LYS 6 HZ1 LYS 6 -12.268 5.235 -3.535 55 HZ2 LYS 6 HZ2 LYS 6 -13.628 4.613 -2.752 56 HZ3 LYS 6 HZ3 LYS 6 -12.771 3.643 -3.837 57 H ASN 7 HN ASN 7 -11.197 3.407 2.404 58 HA ASN 7 HA ASN 7 -10.915 5.818 3.884 59 HB2 ASN 7 HB2 ASN 7 -13.104 5.128 3.151 60 HB3 ASN 7 HB1 ASN 7 -12.951 3.564 3.930 61 HD21 ASN 7 HD21 ASN 7 -13.426 3.358 6.079 62 HD22 ASN 7 HD22 ASN 7 -14.155 4.616 7.008 63 H GLU 8 HN GLU 8 -10.586 2.400 4.767 64 HA GLU 8 HA GLU 8 -10.156 2.707 7.544 65 HB2 GLU 8 HB2 GLU 8 -9.494 0.503 5.608 66 HB3 GLU 8 HB1 GLU 8 -8.711 0.461 7.178 67 HG2 GLU 8 HG2 GLU 8 -10.642 -0.919 7.324 68 HG3 GLU 8 HG1 GLU 8 -10.953 0.533 8.267 69 H ILE 9 HN ILE 9 -7.686 2.563 4.892 70 HA ILE 9 HA ILE 9 -5.451 2.985 6.476 71 HB ILE 9 HB ILE 9 -5.900 3.806 3.566 72 HG12 ILE 9 HG12 ILE 9 -6.314 1.392 3.887 73 HG13 ILE 9 HG11 ILE 9 -4.817 1.616 2.999 74 HG21 ILE 9 HG21 ILE 9 -3.929 4.953 4.467 75 HG22 ILE 9 HG22 ILE 9 -3.423 3.708 3.328 76 HG23 ILE 9 HG23 ILE 9 -3.274 3.426 5.064 77 HD11 ILE 9 HD11 ILE 9 -5.043 0.941 5.937 78 HD12 ILE 9 HD12 ILE 9 -3.536 1.137 5.035 79 HD13 ILE 9 HD13 ILE 9 -4.642 -0.177 4.636 80 H LYS 10 HN LYS 10 -7.597 5.354 4.897 81 HA LYS 10 HA LYS 10 -6.273 7.744 5.595 82 HB2 LYS 10 HB2 LYS 10 -8.103 7.776 3.977 83 HB3 LYS 10 HB1 LYS 10 -9.242 7.181 5.186 84 HG2 LYS 10 HG2 LYS 10 -8.769 9.340 6.495 85 HG3 LYS 10 HG1 LYS 10 -7.930 9.919 5.056 86 HD2 LYS 10 HD2 LYS 10 -9.984 9.820 3.757 87 HD3 LYS 10 HD1 LYS 10 -10.838 9.030 5.087 88 HE2 LYS 10 HE2 LYS 10 -10.507 11.081 6.476 89 HE3 LYS 10 HE1 LYS 10 -9.736 11.868 5.100 90 HZ1 LYS 10 HZ1 LYS 10 -12.529 10.880 5.194 91 HZ2 LYS 10 HZ2 LYS 10 -11.799 11.645 3.878 92 HZ3 LYS 10 HZ3 LYS 10 -12.039 12.498 5.314 93 H ARG 11 HN ARG 11 -8.883 6.051 7.168 94 HA ARG 11 HA ARG 11 -9.418 7.374 9.457 95 HB2 ARG 11 HB2 ARG 11 -10.580 5.376 8.668 96 HB3 ARG 11 HB1 ARG 11 -9.196 4.374 9.085 97 HG2 ARG 11 HG2 ARG 11 -9.558 4.918 11.483 98 HG3 ARG 11 HG1 ARG 11 -11.004 5.830 11.033 99 HD2 ARG 11 HD2 ARG 11 -10.508 2.845 10.790 100 HD3 ARG 11 HD1 ARG 11 -11.737 3.656 11.758 101 HE ARG 11 HE ARG 11 -11.759 3.518 8.790 102 HH11 ARG 11 HH11 ARG 11 -13.551 3.698 11.804 103 HH12 ARG 11 HH12 ARG 11 -15.057 3.267 11.061 104 HH21 ARG 11 HH21 ARG 11 -13.731 2.910 7.844 105 HH22 ARG 11 HH22 ARG 11 -15.163 2.844 8.825 106 H LEU 12 HN LEU 12 -6.976 4.700 9.409 107 HA LEU 12 HA LEU 12 -6.010 5.263 12.010 108 HB2 LEU 12 HB2 LEU 12 -4.191 3.669 11.536 109 HB3 LEU 12 HB1 LEU 12 -5.762 3.052 11.063 110 HG LEU 12 HG LEU 12 -4.935 4.028 8.650 111 HD11 LEU 12 HD11 LEU 12 -2.766 4.821 9.424 112 HD12 LEU 12 HD12 LEU 12 -2.582 3.529 8.243 113 HD13 LEU 12 HD13 LEU 12 -2.336 3.192 9.958 114 HD21 LEU 12 HD21 LEU 12 -5.765 1.767 9.032 115 HD22 LEU 12 HD22 LEU 12 -4.207 1.284 9.714 116 HD23 LEU 12 HD23 LEU 12 -4.326 1.748 8.012 117 H SER 13 HN SER 13 -4.706 6.248 8.810 118 HA SER 13 HA SER 13 -2.513 7.747 9.484 119 HB2 SER 13 HB2 SER 13 -4.685 8.602 7.524 120 HB3 SER 13 HB1 SER 13 -3.036 9.235 7.557 121 HG SER 13 HG SER 13 -3.948 7.062 6.348 122 H ASP 14 HN ASP 14 -5.868 9.046 9.458 123 HA ASP 14 HA ASP 14 -5.493 11.552 10.550 124 HB2 ASP 14 HB2 ASP 14 -7.605 10.729 9.483 125 HB3 ASP 14 HB1 ASP 14 -7.878 9.668 10.857 126 H ARG 15 HN ARG 15 -6.180 8.550 12.124 127 HA ARG 15 HA ARG 15 -6.368 9.189 14.837 128 HB2 ARG 15 HB2 ARG 15 -6.652 6.859 13.884 129 HB3 ARG 15 HB1 ARG 15 -4.901 6.706 13.844 130 HG2 ARG 15 HG2 ARG 15 -5.826 5.559 15.786 131 HG3 ARG 15 HG1 ARG 15 -4.792 6.899 16.290 132 HD2 ARG 15 HD2 ARG 15 -6.751 8.270 16.788 133 HD3 ARG 15 HD1 ARG 15 -7.825 7.023 16.145 134 HE ARG 15 HE ARG 15 -6.792 5.577 18.005 135 HH11 ARG 15 HH11 ARG 15 -7.436 9.001 18.384 136 HH12 ARG 15 HH12 ARG 15 -7.707 8.871 20.090 137 HH21 ARG 15 HH21 ARG 15 -7.160 5.443 20.228 138 HH22 ARG 15 HH22 ARG 15 -7.556 6.872 21.125 139 H LEU 16 HN LEU 16 -3.320 8.218 13.197 140 HA LEU 16 HA LEU 16 -1.606 8.867 15.373 141 HB2 LEU 16 HB2 LEU 16 -1.158 7.259 13.406 142 HB3 LEU 16 HB1 LEU 16 -0.781 8.671 12.446 143 HG LEU 16 HG LEU 16 1.217 7.376 13.355 144 HD11 LEU 16 HD11 LEU 16 1.160 10.281 14.193 145 HD12 LEU 16 HD12 LEU 16 1.522 9.669 12.581 146 HD13 LEU 16 HD13 LEU 16 2.599 9.290 13.921 147 HD21 LEU 16 HD21 LEU 16 0.385 8.521 16.036 148 HD22 LEU 16 HD22 LEU 16 1.895 7.673 15.694 149 HD23 LEU 16 HD23 LEU 16 0.361 6.817 15.569 150 H ASP 17 HN ASP 17 -2.618 10.712 12.443 151 HA ASP 17 HA ASP 17 -0.937 12.900 12.597 152 HB2 ASP 17 HB2 ASP 17 -2.392 12.352 10.680 153 HB3 ASP 17 HB1 ASP 17 -3.821 12.749 11.627 154 H ALA 18 HN ALA 18 -4.341 12.870 13.782 155 HA ALA 18 HA ALA 18 -4.377 15.079 15.355 156 HB1 ALA 18 HB1 ALA 18 -6.343 13.679 14.915 157 HB2 ALA 18 HB2 ALA 18 -6.187 14.026 16.638 158 HB3 ALA 18 HB3 ALA 18 -5.719 12.442 16.008 159 H ILE 19 HN ILE 19 -2.835 12.016 16.128 160 HA ILE 19 HA ILE 19 -2.481 12.635 18.965 161 HB ILE 19 HB ILE 19 -1.368 10.357 17.279 162 HG12 ILE 19 HG12 ILE 19 -3.340 10.455 19.619 163 HG13 ILE 19 HG11 ILE 19 -3.773 10.242 17.925 164 HG21 ILE 19 HG21 ILE 19 -0.392 9.358 19.335 165 HG22 ILE 19 HG22 ILE 19 -0.791 10.820 20.239 166 HG23 ILE 19 HG23 ILE 19 0.392 10.887 18.933 167 HD11 ILE 19 HD11 ILE 19 -3.895 8.152 19.117 168 HD12 ILE 19 HD12 ILE 19 -2.215 8.304 19.629 169 HD13 ILE 19 HD13 ILE 19 -2.602 8.084 17.921 170 H ARG 20 HN ARG 20 -0.224 12.673 16.111 171 HA ARG 20 HA ARG 20 1.995 13.646 17.489 172 HB2 ARG 20 HB2 ARG 20 2.974 14.152 15.326 173 HB3 ARG 20 HB1 ARG 20 2.079 12.641 15.186 174 HG2 ARG 20 HG2 ARG 20 0.247 13.781 14.071 175 HG3 ARG 20 HG1 ARG 20 1.019 15.342 14.316 176 HD2 ARG 20 HD2 ARG 20 2.901 14.580 12.831 177 HD3 ARG 20 HD1 ARG 20 1.983 13.101 12.514 178 HE ARG 20 HE ARG 20 0.351 14.354 11.353 179 HH11 ARG 20 HH11 ARG 20 3.027 16.412 12.364 180 HH12 ARG 20 HH12 ARG 20 2.596 17.684 11.268 181 HH21 ARG 20 HH21 ARG 20 -0.191 16.044 9.955 182 HH22 ARG 20 HH22 ARG 20 0.784 17.482 9.917 183 H HIS 21 HN HIS 21 -0.707 15.505 15.886 184 HA HIS 21 HA HIS 21 0.343 18.064 16.279 185 HB2 HIS 21 HB2 HIS 21 -1.646 17.337 14.811 186 HB3 HIS 21 HB1 HIS 21 -2.619 17.307 16.269 187 HD1 HIS 21 HD1 HIS 21 -2.478 19.792 17.621 188 HD2 HIS 21 HD2 HIS 21 -1.773 19.738 13.525 189 HE1 HIS 21 HE1 HIS 21 -2.824 22.147 16.847 190 HE2 HIS 21 HE2 HIS 21 -2.572 22.054 14.355 191 H GLN 22 HN GLN 22 -1.720 16.020 18.184 192 HA GLN 22 HA GLN 22 -2.314 17.659 20.384 193 HB2 GLN 22 HB2 GLN 22 -3.447 15.562 20.086 194 HB3 GLN 22 HB1 GLN 22 -1.943 14.653 20.144 195 HG2 GLN 22 HG2 GLN 22 -1.709 15.167 22.522 196 HG3 GLN 22 HG1 GLN 22 -3.189 16.128 22.479 197 HE21 GLN 22 HE21 GLN 22 -2.756 13.054 20.786 198 HE22 GLN 22 HE22 GLN 22 -3.881 12.164 21.739 199 H GLN 23 HN GLN 23 0.534 15.567 19.782 200 HA GLN 23 HA GLN 23 1.769 16.259 22.320 201 HB2 GLN 23 HB2 GLN 23 2.784 14.653 19.948 202 HB3 GLN 23 HB1 GLN 23 3.663 14.848 21.470 203 HG2 GLN 23 HG2 GLN 23 1.841 13.746 22.684 204 HG3 GLN 23 HG1 GLN 23 0.920 13.590 21.186 205 HE21 GLN 23 HE21 GLN 23 3.596 12.364 23.050 206 HE22 GLN 23 HE22 GLN 23 3.921 10.988 22.058 207 H ALA 24 HN ALA 24 1.872 17.448 19.037 208 HA ALA 24 HA ALA 24 4.099 19.125 19.206 209 HB1 ALA 24 HB1 ALA 24 2.821 18.838 17.106 210 HB2 ALA 24 HB2 ALA 24 3.035 20.546 17.505 211 HB3 ALA 24 HB3 ALA 24 1.483 19.758 17.799 212 H ASP 25 HN ASP 25 0.627 19.995 20.051 213 HA ASP 25 HA ASP 25 1.269 22.405 21.345 214 HB2 ASP 25 HB2 ASP 25 -1.105 20.516 21.681 215 HB3 ASP 25 HB1 ASP 25 -1.036 22.146 22.341 216 H LEU 26 HN LEU 26 1.404 19.072 22.436 217 HA LEU 26 HA LEU 26 1.593 19.910 25.258 218 HB2 LEU 26 HB2 LEU 26 1.555 17.124 24.071 219 HB3 LEU 26 HB1 LEU 26 1.685 17.473 25.791 220 HG LEU 26 HG LEU 26 -0.710 17.878 23.969 221 HD11 LEU 26 HD11 LEU 26 -1.883 16.508 25.615 222 HD12 LEU 26 HD12 LEU 26 -0.410 16.382 26.582 223 HD13 LEU 26 HD13 LEU 26 -0.475 15.668 24.970 224 HD21 LEU 26 HD21 LEU 26 -0.567 19.944 25.241 225 HD22 LEU 26 HD22 LEU 26 -0.402 19.051 26.755 226 HD23 LEU 26 HD23 LEU 26 -1.908 18.968 25.833 227 H SER 27 HN SER 27 3.267 19.059 26.613 228 HA SER 27 HA SER 27 5.888 18.560 25.357 229 HB2 SER 27 HB2 SER 27 5.758 20.993 25.960 230 HB3 SER 27 HB1 SER 27 5.353 20.548 27.616 231 HG SER 27 HG SER 27 7.777 20.098 26.232 232 H LEU 28 HN LEU 28 7.324 17.435 26.791 233 HA LEU 28 HA LEU 28 6.205 15.606 28.662 234 HB2 LEU 28 HB2 LEU 28 8.204 15.138 27.319 235 HB3 LEU 28 HB1 LEU 28 9.074 16.446 28.088 236 HG LEU 28 HG LEU 28 8.095 14.193 29.842 237 HD11 LEU 28 HD11 LEU 28 9.082 12.983 27.950 238 HD12 LEU 28 HD12 LEU 28 10.085 12.826 29.388 239 HD13 LEU 28 HD13 LEU 28 10.565 13.932 28.096 240 HD21 LEU 28 HD21 LEU 28 10.179 14.623 31.081 241 HD22 LEU 28 HD22 LEU 28 9.215 16.088 30.914 242 HD23 LEU 28 HD23 LEU 28 10.637 15.852 29.896 243 H VAL 29 HN VAL 29 7.577 18.800 28.898 244 HA VAL 29 HA VAL 29 8.234 18.818 31.672 245 HB VAL 29 HB VAL 29 7.707 21.204 29.842 246 HG11 VAL 29 HG11 VAL 29 9.297 21.051 32.437 247 HG12 VAL 29 HG12 VAL 29 7.743 21.855 32.220 248 HG13 VAL 29 HG13 VAL 29 9.174 22.472 31.395 249 HG21 VAL 29 HG21 VAL 29 9.394 19.700 28.864 250 HG22 VAL 29 HG22 VAL 29 10.317 19.719 30.368 251 HG23 VAL 29 HG23 VAL 29 10.151 21.197 29.416 252 H GLU 30 HN GLU 30 5.379 20.079 29.875 253 HA GLU 30 HA GLU 30 4.091 20.778 32.443 254 HB2 GLU 30 HB2 GLU 30 2.511 22.135 31.113 255 HB3 GLU 30 HB1 GLU 30 4.182 22.604 30.866 256 HG2 GLU 30 HG2 GLU 30 3.320 22.734 28.725 257 HG3 GLU 30 HG1 GLU 30 4.079 21.143 28.733 258 H ALA 31 HN ALA 31 4.010 18.352 30.068 259 HA ALA 31 HA ALA 31 1.638 17.157 31.346 260 HB1 ALA 31 HB1 ALA 31 2.128 17.197 28.340 261 HB2 ALA 31 HB2 ALA 31 0.863 18.086 29.187 262 HB3 ALA 31 HB3 ALA 31 0.834 16.323 29.160 263 H ALA 32 HN ALA 32 3.567 16.235 32.518 264 HA ALA 32 HA ALA 32 5.517 14.615 31.334 265 HB1 ALA 32 HB1 ALA 32 5.889 13.686 33.594 266 HB2 ALA 32 HB2 ALA 32 4.367 14.394 34.137 267 HB3 ALA 32 HB3 ALA 32 5.698 15.443 33.649 268 H ASP 33 HN ASP 33 2.626 13.517 33.103 269 HA ASP 33 HA ASP 33 2.811 10.802 32.312 270 HB2 ASP 33 HB2 ASP 33 1.561 11.417 34.331 271 HB3 ASP 33 HB1 ASP 33 0.410 12.350 33.375 272 H LYS 34 HN LYS 34 0.318 13.250 31.319 273 HA LYS 34 HA LYS 34 -0.989 12.054 29.346 274 HB2 LYS 34 HB2 LYS 34 -0.834 14.645 30.267 275 HB3 LYS 34 HB1 LYS 34 -0.211 14.864 28.642 276 HG2 LYS 34 HG2 LYS 34 -2.940 13.772 29.430 277 HG3 LYS 34 HG1 LYS 34 -2.599 15.337 28.688 278 HD2 LYS 34 HD2 LYS 34 -1.786 14.131 26.645 279 HD3 LYS 34 HD1 LYS 34 -2.238 12.604 27.404 280 HE2 LYS 34 HE2 LYS 34 -3.965 13.269 25.838 281 HE3 LYS 34 HE1 LYS 34 -4.602 13.384 27.478 282 HZ1 LYS 34 HZ1 LYS 34 -4.184 15.774 27.404 283 HZ2 LYS 34 HZ2 LYS 34 -5.239 15.287 26.178 284 HZ3 LYS 34 HZ3 LYS 34 -3.625 15.640 25.817 285 H TYR 35 HN TYR 35 2.088 13.777 28.754 286 HA TYR 35 HA TYR 35 2.156 13.225 25.935 287 HB2 TYR 35 HB2 TYR 35 3.344 15.165 26.810 288 HB3 TYR 35 HB1 TYR 35 4.329 14.156 27.849 289 HD1 TYR 35 HD2 TYR 35 3.650 14.924 24.250 290 HD2 TYR 35 HD1 TYR 35 6.446 13.329 27.072 291 HE1 TYR 35 HE2 TYR 35 5.360 14.788 22.496 292 HE2 TYR 35 HE1 TYR 35 8.156 13.201 25.310 293 HH TYR 35 HH TYR 35 8.223 13.011 22.850 294 H ALA 36 HN ALA 36 3.534 11.673 28.816 295 HA ALA 36 HA ALA 36 5.303 9.864 27.552 296 HB1 ALA 36 HB1 ALA 36 5.300 8.622 29.663 297 HB2 ALA 36 HB2 ALA 36 3.875 9.517 30.205 298 HB3 ALA 36 HB3 ALA 36 5.402 10.361 29.958 299 H GLU 37 HN GLU 37 1.969 9.351 28.712 300 HA GLU 37 HA GLU 37 1.409 6.816 27.791 301 HB2 GLU 37 HB2 GLU 37 -0.469 9.232 27.821 302 HB3 GLU 37 HB1 GLU 37 -0.988 7.549 27.717 303 HG2 GLU 37 HG2 GLU 37 0.486 8.776 30.078 304 HG3 GLU 37 HG1 GLU 37 -1.258 8.566 29.978 305 H LEU 38 HN LEU 38 0.602 9.785 26.214 306 HA LEU 38 HA LEU 38 -0.127 9.003 23.682 307 HB2 LEU 38 HB2 LEU 38 1.466 11.479 24.346 308 HB3 LEU 38 HB1 LEU 38 0.681 11.203 22.796 309 HG LEU 38 HG LEU 38 -0.745 11.412 25.468 310 HD11 LEU 38 HD11 LEU 38 0.174 13.546 24.793 311 HD12 LEU 38 HD12 LEU 38 -1.580 13.560 24.624 312 HD13 LEU 38 HD13 LEU 38 -0.560 13.394 23.193 313 HD21 LEU 38 HD21 LEU 38 -1.958 9.911 23.961 314 HD22 LEU 38 HD22 LEU 38 -1.917 11.125 22.680 315 HD23 LEU 38 HD23 LEU 38 -2.833 11.429 24.157 316 H GLU 39 HN GLU 39 3.285 9.629 24.563 317 HA GLU 39 HA GLU 39 4.594 8.787 22.259 318 HB2 GLU 39 HB2 GLU 39 5.412 8.585 25.176 319 HB3 GLU 39 HB1 GLU 39 6.504 8.132 23.872 320 HG2 GLU 39 HG2 GLU 39 5.266 10.883 24.158 321 HG3 GLU 39 HG1 GLU 39 6.834 10.440 24.832 322 H LYS 40 HN LYS 40 3.336 6.888 24.850 323 HA LYS 40 HA LYS 40 4.394 4.308 23.963 324 HB2 LYS 40 HB2 LYS 40 2.122 4.799 25.915 325 HB3 LYS 40 HB1 LYS 40 2.895 3.242 25.622 326 HG2 LYS 40 HG2 LYS 40 5.058 4.303 26.429 327 HG3 LYS 40 HG1 LYS 40 4.098 5.696 26.923 328 HD2 LYS 40 HD2 LYS 40 3.775 2.851 27.952 329 HD3 LYS 40 HD1 LYS 40 4.527 4.189 28.818 330 HE2 LYS 40 HE2 LYS 40 2.347 3.979 29.740 331 HE3 LYS 40 HE1 LYS 40 2.258 5.374 28.672 332 HZ1 LYS 40 HZ1 LYS 40 1.352 2.647 27.905 333 HZ2 LYS 40 HZ2 LYS 40 1.069 4.093 27.071 334 HZ3 LYS 40 HZ3 LYS 40 0.344 3.828 28.567 335 H GLU 41 HN GLU 41 1.108 5.681 23.982 336 HA GLU 41 HA GLU 41 -0.281 3.862 22.466 337 HB2 GLU 41 HB2 GLU 41 -0.725 6.868 22.274 338 HB3 GLU 41 HB1 GLU 41 -1.903 5.599 22.003 339 HG2 GLU 41 HG2 GLU 41 -0.808 6.669 24.589 340 HG3 GLU 41 HG1 GLU 41 -2.482 6.470 24.097 341 H LYS 42 HN LYS 42 1.662 6.551 21.420 342 HA LYS 42 HA LYS 42 1.370 6.337 18.601 343 HB2 LYS 42 HB2 LYS 42 2.402 8.336 19.638 344 HB3 LYS 42 HB1 LYS 42 3.750 7.360 20.216 345 HG2 LYS 42 HG2 LYS 42 4.238 6.831 17.749 346 HG3 LYS 42 HG1 LYS 42 3.095 8.118 17.349 347 HD2 LYS 42 HD2 LYS 42 5.634 8.422 19.008 348 HD3 LYS 42 HD1 LYS 42 5.449 8.896 17.317 349 HE2 LYS 42 HE2 LYS 42 3.740 10.541 17.958 350 HE3 LYS 42 HE1 LYS 42 3.894 10.053 19.649 351 HZ1 LYS 42 HZ1 LYS 42 5.131 12.038 19.187 352 HZ2 LYS 42 HZ2 LYS 42 6.026 11.253 17.988 353 HZ3 LYS 42 HZ3 LYS 42 6.185 10.787 19.610 354 H ALA 43 HN ALA 43 4.004 5.242 20.709 355 HA ALA 43 HA ALA 43 5.633 3.751 19.094 356 HB1 ALA 43 HB1 ALA 43 4.913 3.010 21.950 357 HB2 ALA 43 HB2 ALA 43 6.125 4.201 21.471 358 HB3 ALA 43 HB3 ALA 43 6.363 2.496 21.083 359 H THR 44 HN THR 44 2.830 2.515 20.777 360 HA THR 44 HA THR 44 2.780 -0.131 19.766 361 HB THR 44 HB THR 44 0.526 1.496 21.031 362 HG1 THR 44 HG1 THR 44 2.158 1.370 22.499 363 HG21 THR 44 HG21 THR 44 0.819 -1.530 20.767 364 HG22 THR 44 HG22 THR 44 -0.371 -0.535 19.927 365 HG23 THR 44 HG23 THR 44 -0.442 -0.698 21.682 366 H LEU 45 HN LEU 45 0.815 2.751 18.904 367 HA LEU 45 HA LEU 45 -0.418 1.786 16.645 368 HB2 LEU 45 HB2 LEU 45 0.653 4.575 17.104 369 HB3 LEU 45 HB1 LEU 45 -0.031 4.134 15.546 370 HG LEU 45 HG LEU 45 -1.522 4.088 18.197 371 HD11 LEU 45 HD11 LEU 45 -1.158 6.349 17.385 372 HD12 LEU 45 HD12 LEU 45 -2.858 5.910 17.224 373 HD13 LEU 45 HD13 LEU 45 -1.809 5.915 15.803 374 HD21 LEU 45 HD21 LEU 45 -2.493 3.343 15.415 375 HD22 LEU 45 HD22 LEU 45 -3.527 3.538 16.832 376 HD23 LEU 45 HD23 LEU 45 -2.319 2.258 16.798 377 H GLU 46 HN GLU 46 2.924 3.148 16.594 378 HA GLU 46 HA GLU 46 3.504 2.586 13.912 379 HB2 GLU 46 HB2 GLU 46 5.460 2.844 16.231 380 HB3 GLU 46 HB1 GLU 46 5.860 2.965 14.516 381 HG2 GLU 46 HG2 GLU 46 4.326 4.953 14.378 382 HG3 GLU 46 HG1 GLU 46 4.133 4.860 16.123 383 H ALA 47 HN ALA 47 3.626 0.733 16.686 384 HA ALA 47 HA ALA 47 5.337 -1.481 15.939 385 HB1 ALA 47 HB1 ALA 47 4.882 -1.020 18.323 386 HB2 ALA 47 HB2 ALA 47 4.468 -2.684 17.909 387 HB3 ALA 47 HB3 ALA 47 3.194 -1.477 18.098 388 H GLU 48 HN GLU 48 1.882 -1.277 16.361 389 HA GLU 48 HA GLU 48 0.916 -3.548 15.108 390 HB2 GLU 48 HB2 GLU 48 -0.458 -2.141 16.580 391 HB3 GLU 48 HB1 GLU 48 -0.282 -0.770 15.498 392 HG2 GLU 48 HG2 GLU 48 -2.464 -1.497 15.126 393 HG3 GLU 48 HG1 GLU 48 -1.567 -2.161 13.765 394 H ILE 49 HN ILE 49 0.849 -0.305 13.872 395 HA ILE 49 HA ILE 49 -0.188 -0.940 11.350 396 HB ILE 49 HB ILE 49 0.175 1.280 10.491 397 HG12 ILE 49 HG12 ILE 49 2.094 1.723 12.825 398 HG13 ILE 49 HG11 ILE 49 2.491 1.755 11.109 399 HG21 ILE 49 HG21 ILE 49 -0.979 2.612 12.224 400 HG22 ILE 49 HG22 ILE 49 -0.568 1.398 13.432 401 HG23 ILE 49 HG23 ILE 49 -1.650 0.980 12.105 402 HD11 ILE 49 HD11 ILE 49 0.774 3.744 12.588 403 HD12 ILE 49 HD12 ILE 49 1.124 3.783 10.859 404 HD13 ILE 49 HD13 ILE 49 2.428 3.986 12.029 405 H ALA 50 HN ALA 50 3.367 -0.173 11.961 406 HA ALA 50 HA ALA 50 4.184 -0.926 9.374 407 HB1 ALA 50 HB1 ALA 50 6.443 -0.800 10.288 408 HB2 ALA 50 HB2 ALA 50 5.794 -0.811 11.931 409 HB3 ALA 50 HB3 ALA 50 5.460 0.552 10.861 410 H ARG 51 HN ARG 51 3.895 -2.801 12.314 411 HA ARG 51 HA ARG 51 5.058 -5.237 11.465 412 HB2 ARG 51 HB2 ARG 51 4.097 -4.766 13.809 413 HB3 ARG 51 HB1 ARG 51 2.542 -5.238 13.158 414 HG2 ARG 51 HG2 ARG 51 3.505 -7.135 14.323 415 HG3 ARG 51 HG1 ARG 51 3.527 -7.489 12.590 416 HD2 ARG 51 HD2 ARG 51 5.897 -6.825 12.477 417 HD3 ARG 51 HD1 ARG 51 5.871 -6.420 14.194 418 HE ARG 51 HE ARG 51 5.115 -9.068 14.023 419 HH11 ARG 51 HH11 ARG 51 7.969 -7.242 13.066 420 HH12 ARG 51 HH12 ARG 51 9.054 -8.549 13.411 421 HH21 ARG 51 HH21 ARG 51 6.562 -10.752 14.457 422 HH22 ARG 51 HH22 ARG 51 8.260 -10.524 14.192 423 H LEU 52 HN LEU 52 1.703 -4.334 11.316 424 HA LEU 52 HA LEU 52 0.653 -6.250 9.609 425 HB2 LEU 52 HB2 LEU 52 -0.217 -3.335 9.761 426 HB3 LEU 52 HB1 LEU 52 -1.144 -4.634 9.021 427 HG LEU 52 HG LEU 52 -0.553 -4.221 11.968 428 HD11 LEU 52 HD11 LEU 52 -2.994 -4.223 12.213 429 HD12 LEU 52 HD12 LEU 52 -3.176 -4.427 10.467 430 HD13 LEU 52 HD13 LEU 52 -2.445 -2.956 11.115 431 HD21 LEU 52 HD21 LEU 52 -1.710 -6.719 10.691 432 HD22 LEU 52 HD22 LEU 52 -1.726 -6.362 12.420 433 HD23 LEU 52 HD23 LEU 52 -0.189 -6.583 11.586 434 H ARG 53 HN ARG 53 2.502 -3.324 8.787 435 HA ARG 53 HA ARG 53 2.151 -3.791 5.925 436 HB2 ARG 53 HB2 ARG 53 3.372 -1.505 7.507 437 HB3 ARG 53 HB1 ARG 53 3.376 -1.579 5.744 438 HG2 ARG 53 HG2 ARG 53 0.973 -1.498 5.647 439 HG3 ARG 53 HG1 ARG 53 0.827 -1.689 7.393 440 HD2 ARG 53 HD2 ARG 53 1.863 0.516 7.731 441 HD3 ARG 53 HD1 ARG 53 2.037 0.709 5.975 442 HE ARG 53 HE ARG 53 -0.659 0.146 6.666 443 HH11 ARG 53 HH11 ARG 53 1.630 2.799 6.809 444 HH12 ARG 53 HH12 ARG 53 0.397 4.011 6.680 445 HH21 ARG 53 HH21 ARG 53 -2.239 1.730 6.497 446 HH22 ARG 53 HH22 ARG 53 -1.787 3.403 6.500 447 H GLU 54 HN GLU 54 4.409 -4.836 8.273 448 HA GLU 54 HA GLU 54 6.426 -5.285 6.170 449 HB2 GLU 54 HB2 GLU 54 7.889 -6.234 7.804 450 HB3 GLU 54 HB1 GLU 54 7.222 -4.761 8.500 451 HG2 GLU 54 HG2 GLU 54 5.695 -6.078 9.878 452 HG3 GLU 54 HG1 GLU 54 6.269 -7.566 9.133 453 H VAL 55 HN VAL 55 3.851 -6.801 7.835 454 HA VAL 55 HA VAL 55 3.989 -9.407 6.608 455 HB VAL 55 HB VAL 55 1.492 -7.803 7.379 456 HG11 VAL 55 HG11 VAL 55 0.920 -9.506 5.697 457 HG12 VAL 55 HG12 VAL 55 0.256 -9.951 7.270 458 HG13 VAL 55 HG13 VAL 55 1.710 -10.754 6.665 459 HG21 VAL 55 HG21 VAL 55 2.902 -10.045 8.890 460 HG22 VAL 55 HG22 VAL 55 1.415 -9.235 9.393 461 HG23 VAL 55 HG23 VAL 55 2.926 -8.334 9.322 462 H HIS 56 HN HIS 56 2.237 -6.351 5.643 463 HA HIS 56 HA HIS 56 2.253 -7.011 2.867 464 HB2 HIS 56 HB2 HIS 56 1.706 -4.410 4.343 465 HB3 HIS 56 HB1 HIS 56 1.550 -4.574 2.603 466 HD1 HIS 56 HD1 HIS 56 -0.868 -4.544 2.138 467 HD2 HIS 56 HD2 HIS 56 -0.002 -6.914 5.435 468 HE1 HIS 56 HE1 HIS 56 -3.075 -5.453 2.908 469 HE2 HIS 56 HE2 HIS 56 -2.539 -6.737 4.994 470 H SER 57 HN SER 57 5.023 -7.101 3.945 471 HA SER 57 HA SER 57 6.215 -5.413 1.827 472 HB2 SER 57 HB2 SER 57 6.653 -4.241 3.992 473 HB3 SER 57 HB1 SER 57 7.446 -5.689 4.611 474 HG SER 57 HG SER 57 8.257 -4.045 2.456 475 H GLN 58 HN GLN 58 7.115 -7.872 4.273 476 HA GLN 58 HA GLN 58 8.741 -9.559 2.763 477 HB2 GLN 58 HB2 GLN 58 6.677 -10.370 4.863 478 HB3 GLN 58 HB1 GLN 58 8.059 -11.340 4.366 479 HG2 GLN 58 HG2 GLN 58 9.597 -9.957 5.509 480 HG3 GLN 58 HG1 GLN 58 8.477 -8.597 5.569 481 HE21 GLN 58 HE21 GLN 58 8.646 -8.320 7.789 482 HE22 GLN 58 HE22 GLN 58 7.968 -9.430 8.924 483 H LYS 59 HN LYS 59 5.208 -9.423 3.088 484 HA LYS 59 HA LYS 59 4.914 -10.673 0.421 485 HB2 LYS 59 HB2 LYS 59 2.864 -10.739 2.705 486 HB3 LYS 59 HB1 LYS 59 2.602 -11.354 1.079 487 HG2 LYS 59 HG2 LYS 59 3.055 -13.288 2.309 488 HG3 LYS 59 HG1 LYS 59 4.594 -12.928 1.533 489 HD2 LYS 59 HD2 LYS 59 5.077 -11.658 3.843 490 HD3 LYS 59 HD1 LYS 59 3.821 -12.740 4.448 491 HE2 LYS 59 HE2 LYS 59 6.437 -13.553 3.122 492 HE3 LYS 59 HE1 LYS 59 6.021 -13.728 4.829 493 HZ1 LYS 59 HZ1 LYS 59 5.801 -15.800 3.606 494 HZ2 LYS 59 HZ2 LYS 59 4.655 -15.103 2.579 495 HZ3 LYS 59 HZ3 LYS 59 4.313 -15.299 4.224 496 H LEU 60 HN LEU 60 5.427 -8.513 -0.297 497 HA LEU 60 HA LEU 60 4.317 -6.111 0.431 498 HB2 LEU 60 HB2 LEU 60 6.233 -6.481 -1.158 499 HB3 LEU 60 HB1 LEU 60 5.082 -6.880 -2.412 500 HG LEU 60 HG LEU 60 5.036 -4.129 -1.089 501 HD11 LEU 60 HD11 LEU 60 6.505 -3.241 -2.848 502 HD12 LEU 60 HD12 LEU 60 6.761 -4.871 -3.477 503 HD13 LEU 60 HD13 LEU 60 7.337 -4.444 -1.865 504 HD21 LEU 60 HD21 LEU 60 3.086 -4.638 -2.511 505 HD22 LEU 60 HD22 LEU 60 4.149 -5.015 -3.866 506 HD23 LEU 60 HD23 LEU 60 4.068 -3.368 -3.239 507 H SER 61 HN SER 61 3.197 -8.080 -2.280 508 HA SER 61 HA SER 61 0.415 -7.782 -1.655 509 HB2 SER 61 HB2 SER 61 0.817 -5.613 -2.857 510 HB3 SER 61 HB1 SER 61 1.438 -6.504 -4.246 511 HG SER 61 HG SER 61 -0.699 -6.079 -4.659 512 H LYS 62 HN LYS 62 -0.874 -9.144 -3.148 513 HA LYS 62 HA LYS 62 0.401 -11.622 -3.545 514 HB2 LYS 62 HB2 LYS 62 -2.300 -10.685 -4.592 515 HB3 LYS 62 HB1 LYS 62 -1.745 -12.358 -4.591 516 HG2 LYS 62 HG2 LYS 62 -1.577 -12.217 -2.070 517 HG3 LYS 62 HG1 LYS 62 -2.323 -10.620 -2.161 518 HD2 LYS 62 HD2 LYS 62 -4.033 -12.272 -1.615 519 HD3 LYS 62 HD1 LYS 62 -4.330 -11.650 -3.242 520 HE2 LYS 62 HE2 LYS 62 -3.232 -13.682 -4.187 521 HE3 LYS 62 HE1 LYS 62 -3.009 -14.307 -2.551 522 HZ1 LYS 62 HZ1 LYS 62 -5.585 -13.780 -3.918 523 HZ2 LYS 62 HZ2 LYS 62 -5.437 -14.244 -2.299 524 HZ3 LYS 62 HZ3 LYS 62 -4.925 -15.288 -3.526 525 H GLU 63 HN GLU 63 -1.179 -9.672 -6.092 526 HA GLU 63 HA GLU 63 -0.208 -10.684 -8.414 527 HB2 GLU 63 HB2 GLU 63 -1.867 -8.793 -8.188 528 HB3 GLU 63 HB1 GLU 63 -0.552 -7.714 -7.795 529 HG2 GLU 63 HG2 GLU 63 -1.277 -7.456 -10.135 530 HG3 GLU 63 HG1 GLU 63 0.405 -7.985 -10.018 531 H ALA 64 HN ALA 64 1.377 -8.119 -6.441 532 HA ALA 64 HA ALA 64 3.605 -7.544 -8.025 533 HB1 ALA 64 HB1 ALA 64 2.956 -6.196 -6.079 534 HB2 ALA 64 HB2 ALA 64 4.648 -6.681 -5.964 535 HB3 ALA 64 HB3 ALA 64 3.427 -7.503 -4.987 536 H GLN 65 HN GLN 65 3.528 -9.660 -5.175 537 HA GLN 65 HA GLN 65 6.065 -10.836 -5.245 538 HB2 GLN 65 HB2 GLN 65 3.382 -11.920 -4.345 539 HB3 GLN 65 HB1 GLN 65 4.778 -12.990 -4.379 540 HG2 GLN 65 HG2 GLN 65 5.975 -11.293 -2.909 541 HG3 GLN 65 HG1 GLN 65 4.409 -10.503 -2.707 542 HE21 GLN 65 HE21 GLN 65 6.235 -12.007 -0.815 543 HE22 GLN 65 HE22 GLN 65 5.211 -13.178 -0.062 544 H LYS 66 HN LYS 66 3.114 -12.047 -7.008 545 HA LYS 66 HA LYS 66 4.300 -14.074 -8.476 546 HB2 LYS 66 HB2 LYS 66 1.892 -13.834 -8.193 547 HB3 LYS 66 HB1 LYS 66 1.889 -12.313 -9.073 548 HG2 LYS 66 HG2 LYS 66 2.328 -13.419 -11.160 549 HG3 LYS 66 HG1 LYS 66 2.692 -14.937 -10.352 550 HD2 LYS 66 HD2 LYS 66 0.473 -15.121 -11.312 551 HD3 LYS 66 HD1 LYS 66 0.307 -15.033 -9.557 552 HE2 LYS 66 HE2 LYS 66 -1.390 -13.667 -10.631 553 HE3 LYS 66 HE1 LYS 66 -0.270 -12.635 -9.741 554 HZ1 LYS 66 HZ1 LYS 66 0.822 -12.089 -11.804 555 HZ2 LYS 66 HZ2 LYS 66 -0.829 -11.750 -11.916 556 HZ3 LYS 66 HZ3 LYS 66 -0.195 -13.129 -12.666 557 H LEU 67 HN LEU 67 3.644 -10.651 -9.678 558 HA LEU 67 HA LEU 67 4.823 -10.572 -12.028 559 HB2 LEU 67 HB2 LEU 67 5.222 -8.485 -9.832 560 HB3 LEU 67 HB1 LEU 67 5.539 -8.212 -11.535 561 HG LEU 67 HG LEU 67 2.794 -8.710 -10.307 562 HD11 LEU 67 HD11 LEU 67 4.000 -6.123 -11.382 563 HD12 LEU 67 HD12 LEU 67 3.667 -6.495 -9.686 564 HD13 LEU 67 HD13 LEU 67 2.336 -6.336 -10.829 565 HD21 LEU 67 HD21 LEU 67 2.987 -9.534 -12.653 566 HD22 LEU 67 HD22 LEU 67 3.443 -7.900 -13.152 567 HD23 LEU 67 HD23 LEU 67 1.847 -8.203 -12.464 568 H MET 68 HN MET 68 6.622 -10.939 -8.878 569 HA MET 68 HA MET 68 9.123 -10.038 -9.978 570 HB2 MET 68 HB2 MET 68 8.463 -11.567 -7.409 571 HB3 MET 68 HB1 MET 68 9.994 -10.782 -7.784 572 HG2 MET 68 HG2 MET 68 7.405 -9.252 -7.529 573 HG3 MET 68 HG1 MET 68 8.451 -9.587 -6.156 574 HE1 MET 68 HE1 MET 68 9.226 -5.813 -6.659 575 HE2 MET 68 HE2 MET 68 8.796 -7.082 -5.511 576 HE3 MET 68 HE3 MET 68 7.657 -6.609 -6.774 577 H LYS 69 HN LYS 69 7.373 -13.097 -9.202 578 HA LYS 69 HA LYS 69 9.605 -14.745 -10.249 579 HB2 LYS 69 HB2 LYS 69 8.474 -16.586 -9.060 580 HB3 LYS 69 HB1 LYS 69 8.736 -15.215 -7.991 581 HG2 LYS 69 HG2 LYS 69 6.362 -14.557 -8.252 582 HG3 LYS 69 HG1 LYS 69 6.098 -15.936 -9.320 583 HD2 LYS 69 HD2 LYS 69 6.674 -17.465 -7.438 584 HD3 LYS 69 HD1 LYS 69 6.881 -16.064 -6.382 585 HE2 LYS 69 HE2 LYS 69 4.498 -15.476 -6.709 586 HE3 LYS 69 HE1 LYS 69 4.299 -16.881 -7.762 587 HZ1 LYS 69 HZ1 LYS 69 5.084 -16.976 -4.907 588 HZ2 LYS 69 HZ2 LYS 69 4.836 -18.309 -5.910 589 HZ3 LYS 69 HZ3 LYS 69 3.542 -17.302 -5.507 590 H MET 70 HN MET 70 7.861 -13.370 -12.228 591 HA MET 70 HA MET 70 5.862 -15.099 -13.283 592 HB2 MET 70 HB2 MET 70 7.384 -12.769 -14.469 593 HB3 MET 70 HB1 MET 70 6.209 -13.663 -15.425 594 HG2 MET 70 HG2 MET 70 5.630 -12.169 -12.873 595 HG3 MET 70 HG1 MET 70 5.242 -11.639 -14.511 596 HE1 MET 70 HE1 MET 70 1.623 -12.408 -13.519 597 HE2 MET 70 HE2 MET 70 2.701 -11.356 -14.442 598 HE3 MET 70 HE3 MET 70 2.859 -11.457 -12.686 599 HA PRO 71 HA PRO 71 8.296 -17.725 -16.226 600 HB2 PRO 71 HB2 PRO 71 6.292 -18.599 -17.828 601 HB3 PRO 71 HB1 PRO 71 6.443 -19.164 -16.160 602 HG2 PRO 71 HG2 PRO 71 4.634 -17.032 -17.297 603 HG3 PRO 71 HG1 PRO 71 4.243 -18.338 -16.154 604 HD2 PRO 71 HD2 PRO 71 4.773 -15.742 -15.385 605 HD3 PRO 71 HD1 PRO 71 5.055 -17.147 -14.335 606 H PHE 72 HN PHE 72 6.222 -15.014 -17.211 607 HA PHE 72 HA PHE 72 8.370 -14.296 -19.178 608 HB2 PHE 72 HB2 PHE 72 5.330 -13.938 -19.461 609 HB3 PHE 72 HB1 PHE 72 6.504 -13.329 -20.613 610 HD1 PHE 72 HD2 PHE 72 7.839 -14.974 -22.005 611 HD2 PHE 72 HD1 PHE 72 4.587 -16.216 -19.512 612 HE1 PHE 72 HE2 PHE 72 7.718 -17.114 -23.214 613 HE2 PHE 72 HE1 PHE 72 4.481 -18.354 -20.716 614 HZ PHE 72 HZ PHE 72 6.049 -18.807 -22.569 615 H GLN 73 HN GLN 73 9.337 -12.205 -18.582 616 HA GLN 73 HA GLN 73 7.548 -10.147 -17.902 617 HB2 GLN 73 HB2 GLN 73 8.425 -9.583 -15.732 618 HB3 GLN 73 HB1 GLN 73 7.783 -11.209 -15.665 619 HG2 GLN 73 HG2 GLN 73 10.741 -10.722 -16.003 620 HG3 GLN 73 HG1 GLN 73 9.992 -10.642 -14.416 621 HE21 GLN 73 HE21 GLN 73 10.960 -12.387 -13.499 622 HE22 GLN 73 HE22 GLN 73 10.763 -14.022 -14.035 623 H ARG 74 HN ARG 74 8.586 -8.219 -17.801 624 HA ARG 74 HA ARG 74 11.358 -7.691 -18.177 625 HB2 ARG 74 HB2 ARG 74 11.525 -7.090 -20.556 626 HB3 ARG 74 HB1 ARG 74 11.054 -8.775 -20.390 627 HG2 ARG 74 HG2 ARG 74 8.737 -8.227 -20.979 628 HG3 ARG 74 HG1 ARG 74 9.133 -6.508 -21.038 629 HD2 ARG 74 HD2 ARG 74 10.762 -7.018 -22.889 630 HD3 ARG 74 HD1 ARG 74 10.167 -8.684 -22.886 631 HE ARG 74 HE ARG 74 8.296 -6.441 -23.330 632 HH11 ARG 74 HH11 ARG 74 9.830 -9.344 -24.578 633 HH12 ARG 74 HH12 ARG 74 8.842 -9.390 -26.000 634 HH21 ARG 74 HH21 ARG 74 7.032 -6.513 -25.234 635 HH22 ARG 74 HH22 ARG 74 7.277 -7.797 -26.369 636 H ALA 75 HN ALA 75 11.503 -5.328 -19.526 637 HA ALA 75 HA ALA 75 9.442 -3.617 -18.374 638 HB1 ALA 75 HB1 ALA 75 12.181 -2.962 -19.532 639 HB2 ALA 75 HB2 ALA 75 11.803 -3.122 -17.817 640 HB3 ALA 75 HB3 ALA 75 11.080 -1.817 -18.760 641 H ILE 76 HN ILE 76 9.876 -1.540 -20.152 642 HA ILE 76 HA ILE 76 8.467 -2.475 -22.559 643 HB ILE 76 HB ILE 76 7.131 -0.363 -20.808 644 HG12 ILE 76 HG12 ILE 76 6.814 -2.600 -19.778 645 HG13 ILE 76 HG11 ILE 76 5.297 -1.989 -20.418 646 HG21 ILE 76 HG21 ILE 76 6.799 -0.016 -23.230 647 HG22 ILE 76 HG22 ILE 76 5.291 -0.453 -22.428 648 HG23 ILE 76 HG23 ILE 76 6.160 -1.660 -23.381 649 HD11 ILE 76 HD11 ILE 76 5.532 -4.366 -20.831 650 HD12 ILE 76 HD12 ILE 76 7.045 -4.101 -21.696 651 HD13 ILE 76 HD13 ILE 76 5.528 -3.486 -22.359 652 H THR 77 HN THR 77 9.924 -1.770 -23.888 653 HA THR 77 HA THR 77 11.564 0.557 -23.504 654 HB THR 77 HB THR 77 12.568 -0.139 -25.701 655 HG1 THR 77 HG1 THR 77 11.671 -2.166 -26.581 656 HG21 THR 77 HG21 THR 77 13.383 -1.290 -23.656 657 HG22 THR 77 HG22 THR 77 13.391 -2.377 -25.046 658 HG23 THR 77 HG23 THR 77 12.113 -2.503 -23.835 659 H LYS 78 HN LYS 78 11.763 2.279 -25.130 660 HA LYS 78 HA LYS 78 9.563 3.612 -26.153 661 HB2 LYS 78 HB2 LYS 78 12.350 3.459 -27.369 662 HB3 LYS 78 HB1 LYS 78 11.161 4.704 -27.735 663 HG2 LYS 78 HG2 LYS 78 11.316 5.625 -25.531 664 HG3 LYS 78 HG1 LYS 78 12.246 4.250 -24.951 665 HD2 LYS 78 HD2 LYS 78 13.785 6.079 -25.226 666 HD3 LYS 78 HD1 LYS 78 14.116 4.939 -26.526 667 HE2 LYS 78 HE2 LYS 78 12.410 7.424 -26.867 668 HE3 LYS 78 HE1 LYS 78 14.136 7.385 -27.196 669 HZ1 LYS 78 HZ1 LYS 78 12.017 5.854 -28.599 670 HZ2 LYS 78 HZ2 LYS 78 13.672 5.657 -28.875 671 HZ3 LYS 78 HZ3 LYS 78 12.932 7.135 -29.214 672 H LYS 79 HN LYS 79 11.202 0.943 -27.424 673 HA LYS 79 HA LYS 79 10.121 0.747 -30.086 674 HB2 LYS 79 HB2 LYS 79 11.179 -1.488 -28.315 675 HB3 LYS 79 HB1 LYS 79 10.756 -1.685 -30.017 676 HG2 LYS 79 HG2 LYS 79 12.513 -0.040 -30.620 677 HG3 LYS 79 HG1 LYS 79 12.945 0.111 -28.913 678 HD2 LYS 79 HD2 LYS 79 13.573 -2.268 -28.844 679 HD3 LYS 79 HD1 LYS 79 13.089 -2.461 -30.533 680 HE2 LYS 79 HE2 LYS 79 14.860 -0.869 -31.215 681 HE3 LYS 79 HE1 LYS 79 15.339 -0.672 -29.528 682 HZ1 LYS 79 HZ1 LYS 79 15.923 -3.006 -29.463 683 HZ2 LYS 79 HZ2 LYS 79 16.766 -2.217 -30.698 684 HZ3 LYS 79 HZ3 LYS 79 15.444 -3.200 -31.072 685 H GLU 80 HN GLU 80 9.078 -0.711 -26.942 686 HA GLU 80 HA GLU 80 6.791 -2.071 -28.080 687 HB2 GLU 80 HB2 GLU 80 7.479 -1.499 -25.164 688 HB3 GLU 80 HB1 GLU 80 6.232 -2.607 -25.729 689 HG2 GLU 80 HG2 GLU 80 9.232 -2.911 -26.049 690 HG3 GLU 80 HG1 GLU 80 8.169 -3.864 -25.013 691 H GLN 81 HN GLN 81 7.426 1.051 -26.496 692 HA GLN 81 HA GLN 81 4.764 1.912 -26.356 693 HB2 GLN 81 HB2 GLN 81 7.413 3.414 -26.371 694 HB3 GLN 81 HB1 GLN 81 5.857 4.163 -25.990 695 HG2 GLN 81 HG2 GLN 81 5.596 2.827 -24.008 696 HG3 GLN 81 HG1 GLN 81 6.942 1.779 -24.454 697 HE21 GLN 81 HE21 GLN 81 7.899 2.165 -22.445 698 HE22 GLN 81 HE22 GLN 81 8.712 3.646 -22.088 699 H ALA 82 HN ALA 82 7.182 2.364 -28.874 700 HA ALA 82 HA ALA 82 5.750 3.671 -30.820 701 HB1 ALA 82 HB1 ALA 82 7.207 2.632 -32.503 702 HB2 ALA 82 HB2 ALA 82 7.692 1.392 -31.343 703 HB3 ALA 82 HB3 ALA 82 8.133 3.079 -31.068 704 H ASP 83 HN ASP 83 5.289 0.431 -29.699 705 HA ASP 83 HA ASP 83 3.003 0.067 -31.544 706 HB2 ASP 83 HB2 ASP 83 5.028 -2.084 -30.749 707 HB3 ASP 83 HB1 ASP 83 3.540 -2.388 -31.639 708 H MET 84 HN MET 84 2.820 1.234 -29.054 709 HA MET 84 HA MET 84 2.421 -0.388 -26.851 710 HB2 MET 84 HB2 MET 84 2.438 2.262 -27.187 711 HB3 MET 84 HB1 MET 84 0.691 2.066 -27.246 712 HG2 MET 84 HG2 MET 84 1.257 2.591 -24.998 713 HG3 MET 84 HG1 MET 84 0.880 0.860 -25.016 714 HE1 MET 84 HE1 MET 84 2.201 1.069 -22.560 715 HE2 MET 84 HE2 MET 84 3.726 0.187 -22.653 716 HE3 MET 84 HE3 MET 84 2.279 -0.476 -23.413 717 H GLY 85 HN GLY 85 0.277 0.438 -29.479 718 HA2 GLY 85 HA2 GLY 85 -2.157 -0.516 -28.326 719 HA3 GLY 85 HA1 GLY 85 -1.867 -0.114 -30.020 720 H LYS 86 HN LYS 86 0.410 -1.945 -30.380 721 HA LYS 86 HA LYS 86 -1.149 -4.255 -31.117 722 HB2 LYS 86 HB2 LYS 86 0.458 -3.366 -32.717 723 HB3 LYS 86 HB1 LYS 86 1.752 -3.409 -31.538 724 HG2 LYS 86 HG2 LYS 86 0.499 -6.056 -32.143 725 HG3 LYS 86 HG1 LYS 86 1.343 -5.303 -33.494 726 HD2 LYS 86 HD2 LYS 86 2.628 -5.738 -30.767 727 HD3 LYS 86 HD1 LYS 86 2.718 -6.923 -32.073 728 HE2 LYS 86 HE2 LYS 86 3.883 -5.296 -33.500 729 HE3 LYS 86 HE1 LYS 86 3.721 -4.058 -32.257 730 HZ1 LYS 86 HZ1 LYS 86 5.231 -6.588 -31.918 731 HZ2 LYS 86 HZ2 LYS 86 5.156 -5.298 -30.825 732 HZ3 LYS 86 HZ3 LYS 86 5.918 -5.096 -32.318 733 H LEU 87 HN LEU 87 1.930 -3.786 -29.209 734 HA LEU 87 HA LEU 87 2.176 -5.669 -27.573 735 HB2 LEU 87 HB2 LEU 87 3.374 -3.546 -27.327 736 HB3 LEU 87 HB1 LEU 87 1.946 -2.797 -26.642 737 HG LEU 87 HG LEU 87 2.148 -4.428 -24.687 738 HD11 LEU 87 HD11 LEU 87 3.551 -6.147 -25.740 739 HD12 LEU 87 HD12 LEU 87 4.311 -5.514 -24.279 740 HD13 LEU 87 HD13 LEU 87 4.888 -4.996 -25.864 741 HD21 LEU 87 HD21 LEU 87 2.838 -2.085 -24.495 742 HD22 LEU 87 HD22 LEU 87 4.448 -2.489 -25.094 743 HD23 LEU 87 HD23 LEU 87 3.890 -3.135 -23.548 744 H LYS 88 HN LYS 88 -0.854 -3.612 -27.018 745 HA LYS 88 HA LYS 88 -0.851 -4.794 -24.306 746 HB2 LYS 88 HB2 LYS 88 -2.122 -2.297 -25.469 747 HB3 LYS 88 HB1 LYS 88 -2.811 -3.043 -24.025 748 HG2 LYS 88 HG2 LYS 88 -0.529 -2.878 -22.950 749 HG3 LYS 88 HG1 LYS 88 -0.007 -1.931 -24.348 750 HD2 LYS 88 HD2 LYS 88 -1.497 -0.142 -23.821 751 HD3 LYS 88 HD1 LYS 88 -2.404 -1.129 -22.668 752 HE2 LYS 88 HE2 LYS 88 -0.431 -1.203 -21.176 753 HE3 LYS 88 HE1 LYS 88 0.464 -0.204 -22.330 754 HZ1 LYS 88 HZ1 LYS 88 -1.045 1.588 -21.966 755 HZ2 LYS 88 HZ2 LYS 88 -0.490 1.052 -20.462 756 HZ3 LYS 88 HZ3 LYS 88 -2.039 0.632 -20.991 757 H LYS 89 HN LYS 89 -2.603 -4.691 -27.364 758 HA LYS 89 HA LYS 89 -4.891 -6.133 -26.334 759 HB2 LYS 89 HB2 LYS 89 -5.698 -6.227 -28.669 760 HB3 LYS 89 HB1 LYS 89 -5.281 -4.603 -28.168 761 HG2 LYS 89 HG2 LYS 89 -4.425 -4.608 -30.318 762 HG3 LYS 89 HG1 LYS 89 -3.000 -5.085 -29.402 763 HD2 LYS 89 HD2 LYS 89 -3.200 -6.435 -31.433 764 HD3 LYS 89 HD1 LYS 89 -3.412 -7.457 -30.014 765 HE2 LYS 89 HE2 LYS 89 -5.873 -7.369 -30.337 766 HE3 LYS 89 HE1 LYS 89 -5.639 -6.373 -31.779 767 HZ1 LYS 89 HZ1 LYS 89 -4.629 -9.137 -31.394 768 HZ2 LYS 89 HZ2 LYS 89 -4.432 -8.199 -32.785 769 HZ3 LYS 89 HZ3 LYS 89 -5.974 -8.698 -32.317 770 H SER 90 HN SER 90 -1.887 -7.024 -28.004 771 HA SER 90 HA SER 90 -2.611 -9.629 -28.820 772 HB2 SER 90 HB2 SER 90 0.117 -8.383 -28.287 773 HB3 SER 90 HB1 SER 90 -0.109 -9.974 -29.012 774 HG SER 90 HG SER 90 -1.170 -7.555 -30.066 775 H VAL 91 HN VAL 91 -0.691 -8.557 -25.979 776 HA VAL 91 HA VAL 91 -0.352 -11.124 -24.830 777 HB VAL 91 HB VAL 91 -0.431 -8.682 -23.029 778 HG11 VAL 91 HG11 VAL 91 0.088 -10.871 -22.027 779 HG12 VAL 91 HG12 VAL 91 1.492 -9.810 -21.929 780 HG13 VAL 91 HG13 VAL 91 1.436 -11.091 -23.145 781 HG21 VAL 91 HG21 VAL 91 0.716 -7.795 -24.956 782 HG22 VAL 91 HG22 VAL 91 1.751 -9.207 -25.068 783 HG23 VAL 91 HG23 VAL 91 1.909 -8.107 -23.702 784 H ARG 92 HN ARG 92 -3.173 -9.255 -25.074 785 HA ARG 92 HA ARG 92 -5.277 -9.354 -24.381 786 HB2 ARG 92 HB2 ARG 92 -6.324 -11.494 -23.903 787 HB3 ARG 92 HB1 ARG 92 -5.127 -11.698 -25.154 788 HG2 ARG 92 HG2 ARG 92 -4.904 -13.646 -23.893 789 HG3 ARG 92 HG1 ARG 92 -3.597 -12.646 -23.274 790 HD2 ARG 92 HD2 ARG 92 -5.051 -12.002 -21.349 791 HD3 ARG 92 HD1 ARG 92 -6.299 -13.085 -21.970 792 HE ARG 92 HE ARG 92 -4.118 -14.701 -21.700 793 HH11 ARG 92 HH11 ARG 92 -5.806 -12.572 -19.478 794 HH12 ARG 92 HH12 ARG 92 -5.434 -13.527 -18.083 795 HH21 ARG 92 HH21 ARG 92 -3.648 -15.950 -19.836 796 HH22 ARG 92 HH22 ARG 92 -4.227 -15.432 -18.285 797 H GLY 93 HN GLY 93 -3.252 -8.391 -22.551 798 HA2 GLY 93 HA2 GLY 93 -3.889 -7.349 -20.375 799 HA3 GLY 93 HA1 GLY 93 -4.362 -8.972 -19.862 800 H LEU 94 HN LEU 94 -1.960 -6.944 -19.117 801 HA LEU 94 HA LEU 94 0.259 -8.630 -18.922 802 HB2 LEU 94 HB2 LEU 94 0.821 -8.245 -21.201 803 HB3 LEU 94 HB1 LEU 94 -0.092 -6.762 -21.290 804 HG LEU 94 HG LEU 94 1.766 -5.616 -20.017 805 HD11 LEU 94 HD11 LEU 94 3.948 -6.689 -19.854 806 HD12 LEU 94 HD12 LEU 94 3.279 -8.189 -20.498 807 HD13 LEU 94 HD13 LEU 94 2.743 -7.581 -18.932 808 HD21 LEU 94 HD21 LEU 94 2.598 -6.863 -22.648 809 HD22 LEU 94 HD22 LEU 94 3.264 -5.396 -21.930 810 HD23 LEU 94 HD23 LEU 94 1.584 -5.430 -22.462 811 H VAL 95 HN VAL 95 1.810 -6.908 -17.562 812 HA VAL 95 HA VAL 95 -0.160 -5.175 -16.193 813 HB VAL 95 HB VAL 95 1.963 -6.805 -14.697 814 HG11 VAL 95 HG11 VAL 95 -0.333 -5.087 -13.668 815 HG12 VAL 95 HG12 VAL 95 1.367 -4.622 -13.686 816 HG13 VAL 95 HG13 VAL 95 0.833 -5.965 -12.668 817 HG21 VAL 95 HG21 VAL 95 0.102 -8.170 -13.783 818 HG22 VAL 95 HG22 VAL 95 0.221 -8.338 -15.534 819 HG23 VAL 95 HG23 VAL 95 -1.043 -7.325 -14.834 820 H VAL 96 HN VAL 96 0.792 -3.694 -17.686 821 HA VAL 96 HA VAL 96 3.534 -2.837 -17.496 822 HB VAL 96 HB VAL 96 1.155 -1.349 -18.731 823 HG11 VAL 96 HG11 VAL 96 3.040 0.172 -18.385 824 HG12 VAL 96 HG12 VAL 96 2.874 -0.158 -20.114 825 HG13 VAL 96 HG13 VAL 96 4.143 -0.955 -19.177 826 HG21 VAL 96 HG21 VAL 96 3.117 -3.241 -20.102 827 HG22 VAL 96 HG22 VAL 96 1.859 -2.298 -20.907 828 HG23 VAL 96 HG23 VAL 96 1.413 -3.572 -19.773 829 H VAL 97 HN VAL 97 4.366 -1.294 -16.091 830 HA VAL 97 HA VAL 97 2.604 0.052 -14.158 831 HB VAL 97 HB VAL 97 5.210 -1.334 -13.385 832 HG11 VAL 97 HG11 VAL 97 4.377 -1.095 -11.067 833 HG12 VAL 97 HG12 VAL 97 2.921 -0.300 -11.674 834 HG13 VAL 97 HG13 VAL 97 4.498 0.464 -11.886 835 HG21 VAL 97 HG21 VAL 97 3.943 -3.210 -12.367 836 HG22 VAL 97 HG22 VAL 97 3.676 -3.142 -14.109 837 HG23 VAL 97 HG23 VAL 97 2.435 -2.548 -13.006 838 H HIS 98 HN HIS 98 3.187 2.240 -14.179 839 HA HIS 98 HA HIS 98 5.356 3.083 -15.951 840 HB2 HIS 98 HB2 HIS 98 2.956 4.011 -15.959 841 HB3 HIS 98 HB1 HIS 98 3.311 4.765 -14.419 842 HD2 HIS 98 HD2 HIS 98 3.513 5.519 -18.105 843 HE1 HIS 98 HE1 HIS 98 6.042 8.297 -16.205 844 HE2 HIS 98 HE2 HIS 98 4.740 7.776 -18.305 845 HA PRO 99 HA PRO 99 8.182 3.808 -12.490 846 HB2 PRO 99 HB2 PRO 99 9.901 5.661 -13.543 847 HB3 PRO 99 HB1 PRO 99 9.880 3.973 -14.077 848 HG2 PRO 99 HG2 PRO 99 8.532 6.369 -15.341 849 HG3 PRO 99 HG1 PRO 99 9.537 5.117 -16.111 850 HD2 PRO 99 HD2 PRO 99 6.836 5.005 -16.202 851 HD3 PRO 99 HD1 PRO 99 7.812 3.530 -16.060 852 H MET 100 HN MET 100 6.347 6.502 -13.854 853 HA MET 100 HA MET 100 7.014 8.260 -11.604 854 HB2 MET 100 HB2 MET 100 5.363 8.853 -14.081 855 HB3 MET 100 HB1 MET 100 5.693 10.015 -12.801 856 HG2 MET 100 HG2 MET 100 8.168 9.608 -13.303 857 HG3 MET 100 HG1 MET 100 7.624 8.822 -14.784 858 HE1 MET 100 HE1 MET 100 5.707 11.846 -16.543 859 HE2 MET 100 HE2 MET 100 4.996 10.650 -15.460 860 HE3 MET 100 HE3 MET 100 6.149 10.142 -16.695 861 H THR 101 HN THR 101 4.581 6.031 -12.435 862 HA THR 101 HA THR 101 2.583 7.132 -10.614 863 HB THR 101 HB THR 101 1.331 5.000 -10.992 864 HG1 THR 101 HG1 THR 101 3.668 4.047 -11.723 865 HG21 THR 101 HG21 THR 101 0.940 6.863 -12.563 866 HG22 THR 101 HG22 THR 101 0.798 5.303 -13.375 867 HG23 THR 101 HG23 THR 101 2.253 6.275 -13.591 868 H ALA 102 HN ALA 102 2.060 6.251 -8.622 869 HA ALA 102 HA ALA 102 4.144 6.013 -6.879 870 HB1 ALA 102 HB1 ALA 102 2.488 5.403 -5.167 871 HB2 ALA 102 HB2 ALA 102 1.311 5.020 -6.427 872 HB3 ALA 102 HB3 ALA 102 1.872 6.680 -6.217 873 H LEU 103 HN LEU 103 2.502 3.303 -8.461 874 HA LEU 103 HA LEU 103 3.220 1.275 -6.481 875 HB2 LEU 103 HB2 LEU 103 1.223 0.959 -8.088 876 HB3 LEU 103 HB1 LEU 103 2.392 0.743 -9.380 877 HG LEU 103 HG LEU 103 3.371 -1.214 -8.054 878 HD11 LEU 103 HD11 LEU 103 0.852 -0.919 -6.389 879 HD12 LEU 103 HD12 LEU 103 2.509 -0.658 -5.833 880 HD13 LEU 103 HD13 LEU 103 1.988 -2.268 -6.319 881 HD21 LEU 103 HD21 LEU 103 1.922 -1.629 -9.998 882 HD22 LEU 103 HD22 LEU 103 0.488 -1.540 -8.971 883 HD23 LEU 103 HD23 LEU 103 1.656 -2.847 -8.746 884 H GLY 104 HN GLY 104 4.234 2.042 -9.935 885 HA2 GLY 104 HA2 GLY 104 6.592 0.712 -10.003 886 HA3 GLY 104 HA1 GLY 104 6.205 2.158 -10.906 887 H ARG 105 HN ARG 105 6.105 3.718 -8.090 888 HA ARG 105 HA ARG 105 8.902 4.484 -8.420 889 HB2 ARG 105 HB2 ARG 105 6.724 5.716 -6.661 890 HB3 ARG 105 HB1 ARG 105 8.353 6.355 -6.879 891 HG2 ARG 105 HG2 ARG 105 7.777 6.620 -9.333 892 HG3 ARG 105 HG1 ARG 105 6.112 6.248 -8.905 893 HD2 ARG 105 HD2 ARG 105 6.408 8.653 -9.041 894 HD3 ARG 105 HD1 ARG 105 6.111 8.196 -7.359 895 HE ARG 105 HE ARG 105 8.908 8.308 -7.935 896 HH11 ARG 105 HH11 ARG 105 6.180 10.423 -7.265 897 HH12 ARG 105 HH12 ARG 105 7.179 11.688 -6.622 898 HH21 ARG 105 HH21 ARG 105 10.183 9.987 -7.117 899 HH22 ARG 105 HH22 ARG 105 9.431 11.443 -6.542 900 H GLU 106 HN GLU 106 6.747 2.635 -6.408 901 HA GLU 106 HA GLU 106 8.335 2.912 -3.972 902 HB2 GLU 106 HB2 GLU 106 5.800 3.091 -3.933 903 HB3 GLU 106 HB1 GLU 106 5.716 1.412 -4.449 904 HG2 GLU 106 HG2 GLU 106 5.339 1.553 -2.060 905 HG3 GLU 106 HG1 GLU 106 6.867 0.723 -2.365 906 H MET 107 HN MET 107 7.548 0.586 -6.613 907 HA MET 107 HA MET 107 8.396 -1.778 -5.137 908 HB2 MET 107 HB2 MET 107 7.361 -1.252 -7.948 909 HB3 MET 107 HB1 MET 107 8.257 -2.728 -7.631 910 HG2 MET 107 HG2 MET 107 6.575 -3.457 -6.025 911 HG3 MET 107 HG1 MET 107 5.690 -1.950 -6.210 912 HE1 MET 107 HE1 MET 107 6.783 -5.310 -8.014 913 HE2 MET 107 HE2 MET 107 7.401 -4.091 -9.130 914 HE3 MET 107 HE3 MET 107 6.039 -5.106 -9.599 915 H GLY 108 HN GLY 108 9.650 0.811 -7.099 916 HA2 GLY 108 HA2 GLY 108 12.036 1.253 -6.596 917 HA3 GLY 108 HA1 GLY 108 12.369 -0.412 -7.045 918 H LEU 109 HN LEU 109 10.077 0.502 -9.178 919 HA LEU 109 HA LEU 109 11.859 0.220 -11.360 920 HB2 LEU 109 HB2 LEU 109 8.994 1.198 -11.588 921 HB3 LEU 109 HB1 LEU 109 9.896 0.206 -12.725 922 HG LEU 109 HG LEU 109 8.861 -0.706 -9.998 923 HD11 LEU 109 HD11 LEU 109 7.291 -2.123 -11.247 924 HD12 LEU 109 HD12 LEU 109 7.839 -1.402 -12.761 925 HD13 LEU 109 HD13 LEU 109 7.026 -0.409 -11.554 926 HD21 LEU 109 HD21 LEU 109 9.535 -2.976 -10.641 927 HD22 LEU 109 HD22 LEU 109 10.924 -1.900 -10.560 928 HD23 LEU 109 HD23 LEU 109 10.260 -2.360 -12.132 929 H GLU 110 HN GLU 110 13.006 1.723 -12.380 930 HA GLU 110 HA GLU 110 12.283 4.616 -12.344 931 HB2 GLU 110 HB2 GLU 110 14.723 5.023 -12.693 932 HB3 GLU 110 HB1 GLU 110 14.399 4.151 -11.198 933 HG2 GLU 110 HG2 GLU 110 14.936 2.007 -12.418 934 HG3 GLU 110 HG1 GLU 110 15.456 2.990 -13.788 935 H GLU 111 HN GLU 111 11.586 2.251 -14.056 936 HA GLU 111 HA GLU 111 11.556 3.669 -16.606 937 HB2 GLU 111 HB2 GLU 111 12.413 1.789 -17.940 938 HB3 GLU 111 HB1 GLU 111 13.641 2.323 -16.801 939 HG2 GLU 111 HG2 GLU 111 11.874 -0.124 -16.390 940 HG3 GLU 111 HG1 GLU 111 13.481 -0.174 -17.109 941 H MET 112 HN MET 112 9.977 2.595 -18.153 942 HA MET 112 HA MET 112 7.636 1.770 -16.719 943 HB2 MET 112 HB2 MET 112 7.317 3.134 -18.723 944 HB3 MET 112 HB1 MET 112 8.153 1.945 -19.719 945 HG2 MET 112 HG2 MET 112 6.387 0.347 -19.419 946 HG3 MET 112 HG1 MET 112 5.613 1.337 -18.197 947 HE1 MET 112 HE1 MET 112 3.566 3.833 -20.011 948 HE2 MET 112 HE2 MET 112 4.981 4.028 -18.981 949 HE3 MET 112 HE3 MET 112 3.775 2.798 -18.591 950 H THR 113 HN THR 113 7.069 -0.150 -16.320 951 HA THR 113 HA THR 113 8.745 -2.426 -17.253 952 HB THR 113 HB THR 113 7.367 -2.337 -14.538 953 HG1 THR 113 HG1 THR 113 9.016 -0.618 -14.928 954 HG21 THR 113 HG21 THR 113 9.697 -3.985 -15.612 955 HG22 THR 113 HG22 THR 113 8.062 -4.580 -15.314 956 HG23 THR 113 HG23 THR 113 9.066 -4.055 -13.962 957 H GLY 114 HN GLY 114 7.594 -4.404 -17.753 958 HA2 GLY 114 HA2 GLY 114 4.812 -4.678 -16.804 959 HA3 GLY 114 HA1 GLY 114 5.107 -4.710 -18.533 960 H PHE 115 HN PHE 115 4.124 -6.863 -16.356 961 HA PHE 115 HA PHE 115 6.117 -8.935 -17.048 962 HB2 PHE 115 HB2 PHE 115 4.502 -8.923 -14.462 963 HB3 PHE 115 HB1 PHE 115 5.927 -9.864 -14.860 964 HD1 PHE 115 HD1 PHE 115 4.788 -6.364 -14.084 965 HD2 PHE 115 HD2 PHE 115 8.033 -9.149 -14.027 966 HE1 PHE 115 HE1 PHE 115 6.113 -4.819 -12.696 967 HE2 PHE 115 HE2 PHE 115 9.347 -7.605 -12.666 968 HZ PHE 115 HZ PHE 115 8.388 -5.437 -11.989 969 H SER 116 HN SER 116 4.975 -11.056 -17.365 970 HA SER 116 HA SER 116 2.167 -11.293 -16.558 971 HB2 SER 116 HB2 SER 116 2.244 -10.276 -18.864 972 HB3 SER 116 HB1 SER 116 3.096 -11.703 -19.447 973 HG SER 116 HG SER 116 0.466 -11.329 -19.169 974 H LYS 117 HN LYS 117 1.195 -13.383 -17.104 975 HA LYS 117 HA LYS 117 2.880 -15.735 -16.606 976 HB2 LYS 117 HB2 LYS 117 -0.132 -15.231 -16.633 977 HB3 LYS 117 HB1 LYS 117 0.551 -16.843 -16.448 978 HG2 LYS 117 HG2 LYS 117 1.314 -14.596 -14.562 979 HG3 LYS 117 HG1 LYS 117 -0.156 -15.537 -14.308 980 HD2 LYS 117 HD2 LYS 117 2.649 -16.725 -14.512 981 HD3 LYS 117 HD1 LYS 117 1.810 -16.387 -12.990 982 HE2 LYS 117 HE2 LYS 117 0.028 -17.984 -13.634 983 HE3 LYS 117 HE1 LYS 117 0.860 -18.311 -15.152 984 HZ1 LYS 117 HZ1 LYS 117 2.707 -19.216 -13.926 985 HZ2 LYS 117 HZ2 LYS 117 1.274 -20.006 -13.493 986 HZ3 LYS 117 HZ3 LYS 117 1.951 -18.857 -12.458 987 H THR 118 HN THR 118 1.619 -14.002 -19.183 988 HA THR 118 HA THR 118 1.534 -16.300 -21.047 989 HB THR 118 HB THR 118 0.001 -14.887 -22.448 990 HG1 THR 118 HG1 THR 118 0.761 -12.935 -20.822 991 HG21 THR 118 HG21 THR 118 -2.039 -15.075 -21.082 992 HG22 THR 118 HG22 THR 118 -1.058 -15.279 -19.624 993 HG23 THR 118 HG23 THR 118 -1.024 -16.509 -20.891 994 H THR 119 HN THR 119 2.565 -15.975 -23.073 995 HA THR 119 HA THR 119 4.777 -14.206 -23.188 996 HB THR 119 HB THR 119 4.833 -16.312 -24.448 997 HG1 THR 119 HG1 THR 119 4.944 -13.989 -26.103 998 HG21 THR 119 HG21 THR 119 3.559 -16.657 -26.528 999 HG22 THR 119 HG22 THR 119 2.694 -15.140 -26.266 1000 HG23 THR 119 HG23 THR 119 2.467 -16.487 -25.151 1001 H PHE 120 HN PHE 120 5.082 -12.383 -24.482 1002 HA PHE 120 HA PHE 120 2.847 -10.603 -24.475 1003 HB2 PHE 120 HB2 PHE 120 5.714 -10.176 -25.366 1004 HB3 PHE 120 HB1 PHE 120 4.505 -8.905 -25.329 1005 HD1 PHE 120 HD2 PHE 120 5.000 -11.528 -22.668 1006 HD2 PHE 120 HD1 PHE 120 5.516 -7.427 -23.774 1007 HE1 PHE 120 HE2 PHE 120 5.690 -10.981 -20.368 1008 HE2 PHE 120 HE1 PHE 120 6.204 -6.893 -21.476 1009 HZ PHE 120 HZ PHE 120 6.302 -8.671 -19.771 Start of MODEL 18 1 H MET 1 HT1 MET 1 -16.386 -2.850 -7.723 2 HA MET 1 HA MET 1 -17.045 -3.669 -4.963 3 HB2 MET 1 HB2 MET 1 -16.473 -5.597 -6.422 4 HB3 MET 1 HB1 MET 1 -14.980 -4.810 -6.907 5 HG2 MET 1 HG2 MET 1 -14.190 -4.918 -4.556 6 HG3 MET 1 HG1 MET 1 -15.671 -5.772 -4.123 7 HE1 MET 1 HE1 MET 1 -13.461 -6.178 -7.418 8 HE2 MET 1 HE2 MET 1 -12.411 -7.506 -6.926 9 HE3 MET 1 HE3 MET 1 -12.280 -5.936 -6.132 10 H LYS 2 HN LYS 2 -16.387 -1.944 -3.762 11 HA LYS 2 HA LYS 2 -13.920 -0.500 -4.433 12 HB2 LYS 2 HB2 LYS 2 -16.049 0.014 -2.318 13 HB3 LYS 2 HB1 LYS 2 -14.595 0.994 -2.492 14 HG2 LYS 2 HG2 LYS 2 -16.788 0.660 -4.571 15 HG3 LYS 2 HG1 LYS 2 -16.515 2.079 -3.547 16 HD2 LYS 2 HD2 LYS 2 -14.281 2.401 -4.609 17 HD3 LYS 2 HD1 LYS 2 -14.581 1.004 -5.649 18 HE2 LYS 2 HE2 LYS 2 -16.533 2.200 -6.638 19 HE3 LYS 2 HE1 LYS 2 -16.157 3.599 -5.626 20 HZ1 LYS 2 HZ1 LYS 2 -15.279 3.843 -7.855 21 HZ2 LYS 2 HZ2 LYS 2 -14.377 2.425 -7.684 22 HZ3 LYS 2 HZ3 LYS 2 -14.025 3.769 -6.723 23 H GLU 3 HN GLU 3 -15.300 -2.379 -1.740 24 HA GLU 3 HA GLU 3 -14.486 -3.397 0.089 25 HB2 GLU 3 HB2 GLU 3 -11.866 -3.486 -1.459 26 HB3 GLU 3 HB1 GLU 3 -12.174 -4.371 0.034 27 HG2 GLU 3 HG2 GLU 3 -13.578 -4.752 -2.628 28 HG3 GLU 3 HG1 GLU 3 -12.395 -5.839 -1.897 29 H VAL 4 HN VAL 4 -11.473 -1.654 -0.719 30 HA VAL 4 HA VAL 4 -10.303 0.016 0.218 31 HB VAL 4 HB VAL 4 -12.987 0.923 1.342 32 HG11 VAL 4 HG11 VAL 4 -10.406 2.504 1.087 33 HG12 VAL 4 HG12 VAL 4 -11.161 1.987 2.592 34 HG13 VAL 4 HG13 VAL 4 -11.969 3.173 1.567 35 HG21 VAL 4 HG21 VAL 4 -12.985 0.785 -1.119 36 HG22 VAL 4 HG22 VAL 4 -11.528 1.778 -1.192 37 HG23 VAL 4 HG23 VAL 4 -13.037 2.472 -0.597 38 H GLU 5 HN GLU 5 -9.141 -1.639 1.541 39 HA GLU 5 HA GLU 5 -9.473 -1.452 4.374 40 HB2 GLU 5 HB2 GLU 5 -7.773 -2.886 2.552 41 HB3 GLU 5 HB1 GLU 5 -6.685 -1.923 3.528 42 HG2 GLU 5 HG2 GLU 5 -6.886 -4.081 4.545 43 HG3 GLU 5 HG1 GLU 5 -7.713 -2.911 5.580 44 H LYS 6 HN LYS 6 -8.416 0.679 1.919 45 HA LYS 6 HA LYS 6 -6.409 2.247 2.973 46 HB2 LYS 6 HB2 LYS 6 -8.876 3.314 1.540 47 HB3 LYS 6 HB1 LYS 6 -7.356 4.185 1.732 48 HG2 LYS 6 HG2 LYS 6 -6.213 2.450 0.358 49 HG3 LYS 6 HG1 LYS 6 -7.754 1.615 0.143 50 HD2 LYS 6 HD2 LYS 6 -7.076 4.428 -0.825 51 HD3 LYS 6 HD1 LYS 6 -7.216 2.985 -1.833 52 HE2 LYS 6 HE2 LYS 6 -9.615 2.827 -1.259 53 HE3 LYS 6 HE1 LYS 6 -9.482 4.259 -0.243 54 HZ1 LYS 6 HZ1 LYS 6 -8.914 5.545 -2.192 55 HZ2 LYS 6 HZ2 LYS 6 -10.397 4.765 -2.400 56 HZ3 LYS 6 HZ3 LYS 6 -9.017 4.167 -3.163 57 H ASN 7 HN ASN 7 -9.761 2.166 4.136 58 HA ASN 7 HA ASN 7 -9.609 4.579 5.736 59 HB2 ASN 7 HB2 ASN 7 -11.604 2.265 5.765 60 HB3 ASN 7 HB1 ASN 7 -11.780 3.749 6.699 61 HD21 ASN 7 HD21 ASN 7 -13.506 2.589 4.615 62 HD22 ASN 7 HD22 ASN 7 -13.681 3.827 3.423 63 H GLU 8 HN GLU 8 -9.485 1.119 6.253 64 HA GLU 8 HA GLU 8 -8.991 1.002 9.036 65 HB2 GLU 8 HB2 GLU 8 -8.258 -0.929 6.806 66 HB3 GLU 8 HB1 GLU 8 -7.861 -1.282 8.482 67 HG2 GLU 8 HG2 GLU 8 -9.899 -2.424 7.776 68 HG3 GLU 8 HG1 GLU 8 -10.196 -1.296 9.095 69 H ILE 9 HN ILE 9 -6.573 0.951 6.373 70 HA ILE 9 HA ILE 9 -4.274 1.050 7.915 71 HB ILE 9 HB ILE 9 -4.726 2.141 5.102 72 HG12 ILE 9 HG12 ILE 9 -5.212 -0.280 5.267 73 HG13 ILE 9 HG11 ILE 9 -3.740 -0.027 4.346 74 HG21 ILE 9 HG21 ILE 9 -2.076 1.563 6.491 75 HG22 ILE 9 HG22 ILE 9 -2.692 3.153 6.045 76 HG23 ILE 9 HG23 ILE 9 -2.261 1.994 4.788 77 HD11 ILE 9 HD11 ILE 9 -2.402 -0.663 6.337 78 HD12 ILE 9 HD12 ILE 9 -3.509 -1.934 5.815 79 HD13 ILE 9 HD13 ILE 9 -3.911 -0.952 7.222 80 H LYS 10 HN LYS 10 -6.308 3.697 6.659 81 HA LYS 10 HA LYS 10 -4.751 5.882 7.549 82 HB2 LYS 10 HB2 LYS 10 -6.727 5.973 5.964 83 HB3 LYS 10 HB1 LYS 10 -7.799 5.785 7.340 84 HG2 LYS 10 HG2 LYS 10 -5.846 8.095 7.166 85 HG3 LYS 10 HG1 LYS 10 -7.404 8.158 6.347 86 HD2 LYS 10 HD2 LYS 10 -8.562 7.920 8.507 87 HD3 LYS 10 HD1 LYS 10 -7.014 7.779 9.341 88 HE2 LYS 10 HE2 LYS 10 -6.434 10.084 8.603 89 HE3 LYS 10 HE1 LYS 10 -8.018 10.221 7.834 90 HZ1 LYS 10 HZ1 LYS 10 -9.058 9.998 9.965 91 HZ2 LYS 10 HZ2 LYS 10 -7.919 11.240 10.040 92 HZ3 LYS 10 HZ3 LYS 10 -7.573 9.734 10.729 93 H ARG 11 HN ARG 11 -7.447 4.224 9.103 94 HA ARG 11 HA ARG 11 -7.642 5.340 11.565 95 HB2 ARG 11 HB2 ARG 11 -9.119 3.539 10.798 96 HB3 ARG 11 HB1 ARG 11 -7.805 2.376 10.903 97 HG2 ARG 11 HG2 ARG 11 -7.758 2.654 13.359 98 HG3 ARG 11 HG1 ARG 11 -9.089 3.804 13.258 99 HD2 ARG 11 HD2 ARG 11 -9.185 0.867 12.491 100 HD3 ARG 11 HD1 ARG 11 -9.910 1.599 13.923 101 HE ARG 11 HE ARG 11 -10.787 2.481 11.250 102 HH11 ARG 11 HH11 ARG 11 -11.590 0.889 14.272 103 HH12 ARG 11 HH12 ARG 11 -13.279 0.776 13.900 104 HH21 ARG 11 HH21 ARG 11 -13.015 2.332 10.797 105 HH22 ARG 11 HH22 ARG 11 -14.078 1.574 11.935 106 H LEU 12 HN LEU 12 -5.442 2.511 10.973 107 HA LEU 12 HA LEU 12 -4.191 2.683 13.524 108 HB2 LEU 12 HB2 LEU 12 -2.541 1.044 12.650 109 HB3 LEU 12 HB1 LEU 12 -4.214 0.580 12.423 110 HG LEU 12 HG LEU 12 -3.759 1.649 9.970 111 HD11 LEU 12 HD11 LEU 12 -1.440 2.296 10.358 112 HD12 LEU 12 HD12 LEU 12 -1.549 1.067 9.101 113 HD13 LEU 12 HD13 LEU 12 -1.010 0.622 10.723 114 HD21 LEU 12 HD21 LEU 12 -4.630 -0.596 10.367 115 HD22 LEU 12 HD22 LEU 12 -3.006 -1.190 10.734 116 HD23 LEU 12 HD23 LEU 12 -3.396 -0.615 9.109 117 H SER 13 HN SER 13 -3.085 3.929 10.352 118 HA SER 13 HA SER 13 -0.715 5.120 11.073 119 HB2 SER 13 HB2 SER 13 -2.844 6.246 9.216 120 HB3 SER 13 HB1 SER 13 -1.174 6.818 9.292 121 HG SER 13 HG SER 13 -2.196 4.646 8.042 122 H ASP 14 HN ASP 14 -3.953 6.649 11.383 123 HA ASP 14 HA ASP 14 -3.310 8.990 12.710 124 HB2 ASP 14 HB2 ASP 14 -5.537 8.248 11.673 125 HB3 ASP 14 HB1 ASP 14 -5.820 7.296 13.121 126 H ARG 15 HN ARG 15 -4.119 5.868 13.969 127 HA ARG 15 HA ARG 15 -3.992 6.165 16.733 128 HB2 ARG 15 HB2 ARG 15 -4.526 3.975 15.652 129 HB3 ARG 15 HB1 ARG 15 -2.821 3.747 15.290 130 HG2 ARG 15 HG2 ARG 15 -3.506 2.433 17.250 131 HG3 ARG 15 HG1 ARG 15 -2.287 3.636 17.683 132 HD2 ARG 15 HD2 ARG 15 -4.066 5.108 18.565 133 HD3 ARG 15 HD1 ARG 15 -5.282 3.903 18.131 134 HE ARG 15 HE ARG 15 -3.603 2.507 19.729 135 HH11 ARG 15 HH11 ARG 15 -5.216 5.592 20.196 136 HH12 ARG 15 HH12 ARG 15 -5.390 5.376 21.907 137 HH21 ARG 15 HH21 ARG 15 -3.829 2.251 21.991 138 HH22 ARG 15 HH22 ARG 15 -4.606 3.491 22.921 139 H LEU 16 HN LEU 16 -1.186 5.320 14.669 140 HA LEU 16 HA LEU 16 0.751 5.597 16.733 141 HB2 LEU 16 HB2 LEU 16 1.006 4.190 14.655 142 HB3 LEU 16 HB1 LEU 16 1.181 5.654 13.711 143 HG LEU 16 HG LEU 16 3.332 4.355 14.260 144 HD11 LEU 16 HD11 LEU 16 3.452 6.654 13.430 145 HD12 LEU 16 HD12 LEU 16 4.747 6.310 14.573 146 HD13 LEU 16 HD13 LEU 16 3.354 7.271 15.080 147 HD21 LEU 16 HD21 LEU 16 2.953 5.517 17.040 148 HD22 LEU 16 HD22 LEU 16 4.387 4.674 16.448 149 HD23 LEU 16 HD23 LEU 16 2.862 3.809 16.601 150 H ASP 17 HN ASP 17 -0.462 7.841 14.188 151 HA ASP 17 HA ASP 17 1.308 9.939 14.458 152 HB2 ASP 17 HB2 ASP 17 -0.320 9.862 12.661 153 HB3 ASP 17 HB1 ASP 17 -1.661 9.903 13.798 154 H ALA 18 HN ALA 18 -1.903 9.784 16.037 155 HA ALA 18 HA ALA 18 -1.637 11.719 17.931 156 HB1 ALA 18 HB1 ALA 18 -3.734 10.555 17.461 157 HB2 ALA 18 HB2 ALA 18 -3.395 10.562 19.194 158 HB3 ALA 18 HB3 ALA 18 -3.118 9.100 18.244 159 H ILE 19 HN ILE 19 -0.221 8.502 18.023 160 HA ILE 19 HA ILE 19 0.418 8.643 20.861 161 HB ILE 19 HB ILE 19 1.116 6.560 18.774 162 HG12 ILE 19 HG12 ILE 19 -0.555 6.541 21.338 163 HG13 ILE 19 HG11 ILE 19 -1.184 6.545 19.695 164 HG21 ILE 19 HG21 ILE 19 2.109 6.555 21.665 165 HG22 ILE 19 HG22 ILE 19 3.122 6.706 20.229 166 HG23 ILE 19 HG23 ILE 19 2.247 5.206 20.533 167 HD11 ILE 19 HD11 ILE 19 0.381 4.309 20.973 168 HD12 ILE 19 HD12 ILE 19 -0.336 4.306 19.360 169 HD13 ILE 19 HD13 ILE 19 -1.370 4.382 20.782 170 H ARG 20 HN ARG 20 2.426 8.934 17.854 171 HA ARG 20 HA ARG 20 4.824 9.551 19.093 172 HB2 ARG 20 HB2 ARG 20 5.602 10.357 16.939 173 HB3 ARG 20 HB1 ARG 20 4.565 8.962 16.646 174 HG2 ARG 20 HG2 ARG 20 2.714 10.469 16.047 175 HG3 ARG 20 HG1 ARG 20 3.736 11.866 16.353 176 HD2 ARG 20 HD2 ARG 20 5.227 11.133 14.493 177 HD3 ARG 20 HD1 ARG 20 4.107 9.802 14.158 178 HE ARG 20 HE ARG 20 2.398 11.791 14.007 179 HH11 ARG 20 HH11 ARG 20 5.667 11.797 12.703 180 HH12 ARG 20 HH12 ARG 20 5.276 12.931 11.449 181 HH21 ARG 20 HH21 ARG 20 1.937 13.286 12.392 182 HH22 ARG 20 HH22 ARG 20 3.175 13.774 11.275 183 H HIS 21 HN HIS 21 2.099 11.725 18.129 184 HA HIS 21 HA HIS 21 3.340 14.154 18.703 185 HB2 HIS 21 HB2 HIS 21 1.269 13.685 17.282 186 HB3 HIS 21 HB1 HIS 21 0.359 13.520 18.769 187 HD1 HIS 21 HD1 HIS 21 -0.411 15.655 19.909 188 HD2 HIS 21 HD2 HIS 21 2.170 16.374 16.735 189 HE1 HIS 21 HE1 HIS 21 -0.469 18.135 19.546 190 HE2 HIS 21 HE2 HIS 21 1.183 18.563 17.698 191 H GLN 22 HN GLN 22 1.076 12.205 20.562 192 HA GLN 22 HA GLN 22 0.918 13.835 22.902 193 HB2 GLN 22 HB2 GLN 22 -0.205 12.067 24.024 194 HB3 GLN 22 HB1 GLN 22 -0.614 11.815 22.335 195 HG2 GLN 22 HG2 GLN 22 1.153 10.077 22.197 196 HG3 GLN 22 HG1 GLN 22 1.464 10.293 23.909 197 HE21 GLN 22 HE21 GLN 22 0.773 7.879 22.635 198 HE22 GLN 22 HE22 GLN 22 -0.743 7.346 23.281 199 H GLN 23 HN GLN 23 3.225 11.390 21.874 200 HA GLN 23 HA GLN 23 4.751 11.252 24.274 201 HB2 GLN 23 HB2 GLN 23 4.354 9.676 22.062 202 HB3 GLN 23 HB1 GLN 23 5.866 10.424 21.608 203 HG2 GLN 23 HG2 GLN 23 5.499 9.049 24.246 204 HG3 GLN 23 HG1 GLN 23 5.870 8.145 22.788 205 HE21 GLN 23 HE21 GLN 23 7.374 8.349 25.174 206 HE22 GLN 23 HE22 GLN 23 8.909 8.986 24.739 207 H ALA 24 HN ALA 24 4.943 13.014 21.244 208 HA ALA 24 HA ALA 24 7.457 14.222 21.492 209 HB1 ALA 24 HB1 ALA 24 6.202 14.200 19.384 210 HB2 ALA 24 HB2 ALA 24 6.727 15.833 19.801 211 HB3 ALA 24 HB3 ALA 24 5.045 15.356 20.047 212 H ASP 25 HN ASP 25 4.224 15.573 22.482 213 HA ASP 25 HA ASP 25 5.190 17.880 23.751 214 HB2 ASP 25 HB2 ASP 25 2.738 16.180 24.404 215 HB3 ASP 25 HB1 ASP 25 3.033 17.797 25.030 216 H LEU 26 HN LEU 26 5.530 14.582 24.629 217 HA LEU 26 HA LEU 26 6.331 15.291 27.388 218 HB2 LEU 26 HB2 LEU 26 6.125 12.530 26.143 219 HB3 LEU 26 HB1 LEU 26 6.465 12.898 27.831 220 HG LEU 26 HG LEU 26 3.849 13.256 26.341 221 HD11 LEU 26 HD11 LEU 26 2.961 11.737 28.016 222 HD12 LEU 26 HD12 LEU 26 4.531 11.653 28.820 223 HD13 LEU 26 HD13 LEU 26 4.335 11.008 27.186 224 HD21 LEU 26 HD21 LEU 26 2.880 14.226 28.397 225 HD22 LEU 26 HD22 LEU 26 4.115 15.268 27.704 226 HD23 LEU 26 HD23 LEU 26 4.486 14.295 29.133 227 H SER 27 HN SER 27 8.279 14.549 28.197 228 HA SER 27 HA SER 27 10.426 13.703 26.396 229 HB2 SER 27 HB2 SER 27 10.699 16.150 26.575 230 HB3 SER 27 HB1 SER 27 10.590 16.063 28.331 231 HG SER 27 HG SER 27 12.740 15.758 26.757 232 H LEU 28 HN LEU 28 12.107 12.611 27.571 233 HA LEU 28 HA LEU 28 11.404 11.076 29.799 234 HB2 LEU 28 HB2 LEU 28 13.693 10.357 29.935 235 HB3 LEU 28 HB1 LEU 28 13.258 10.487 28.243 236 HG LEU 28 HG LEU 28 14.925 12.574 29.732 237 HD11 LEU 28 HD11 LEU 28 15.907 10.341 27.924 238 HD12 LEU 28 HD12 LEU 28 16.150 10.457 29.667 239 HD13 LEU 28 HD13 LEU 28 16.896 11.641 28.599 240 HD21 LEU 28 HD21 LEU 28 14.483 12.211 26.747 241 HD22 LEU 28 HD22 LEU 28 15.515 13.425 27.512 242 HD23 LEU 28 HD23 LEU 28 13.769 13.478 27.754 243 H VAL 29 HN VAL 29 12.736 14.261 29.530 244 HA VAL 29 HA VAL 29 13.668 14.716 32.159 245 HB VAL 29 HB VAL 29 12.593 16.715 30.102 246 HG11 VAL 29 HG11 VAL 29 14.331 17.266 32.548 247 HG12 VAL 29 HG12 VAL 29 12.648 17.748 32.334 248 HG13 VAL 29 HG13 VAL 29 13.898 18.450 31.308 249 HG21 VAL 29 HG21 VAL 29 15.460 15.810 30.612 250 HG22 VAL 29 HG22 VAL 29 14.972 17.073 29.480 251 HG23 VAL 29 HG23 VAL 29 14.471 15.406 29.201 252 H GLU 30 HN GLU 30 10.548 15.647 30.603 253 HA GLU 30 HA GLU 30 9.581 16.829 33.080 254 HB2 GLU 30 HB2 GLU 30 7.700 17.639 31.730 255 HB3 GLU 30 HB1 GLU 30 9.230 17.985 30.932 256 HG2 GLU 30 HG2 GLU 30 8.856 15.953 29.496 257 HG3 GLU 30 HG1 GLU 30 7.254 15.797 30.216 258 H ALA 31 HN ALA 31 8.770 14.002 31.100 259 HA ALA 31 HA ALA 31 6.993 12.972 33.231 260 HB1 ALA 31 HB1 ALA 31 5.329 12.253 31.551 261 HB2 ALA 31 HB2 ALA 31 6.264 13.028 30.270 262 HB3 ALA 31 HB3 ALA 31 5.520 14.009 31.533 263 H ALA 32 HN ALA 32 8.803 11.658 33.765 264 HA ALA 32 HA ALA 32 10.456 10.311 31.942 265 HB1 ALA 32 HB1 ALA 32 11.146 10.865 34.238 266 HB2 ALA 32 HB2 ALA 32 11.371 9.149 33.903 267 HB3 ALA 32 HB3 ALA 32 9.999 9.682 34.876 268 H ASP 33 HN ASP 33 7.960 8.854 34.106 269 HA ASP 33 HA ASP 33 8.105 6.250 33.048 270 HB2 ASP 33 HB2 ASP 33 7.153 6.677 35.272 271 HB3 ASP 33 HB1 ASP 33 5.851 7.625 34.570 272 H LYS 34 HN LYS 34 5.344 8.558 32.676 273 HA LYS 34 HA LYS 34 3.936 7.499 30.701 274 HB2 LYS 34 HB2 LYS 34 4.129 10.056 31.878 275 HB3 LYS 34 HB1 LYS 34 4.265 10.386 30.163 276 HG2 LYS 34 HG2 LYS 34 1.984 8.931 31.547 277 HG3 LYS 34 HG1 LYS 34 1.946 10.575 30.894 278 HD2 LYS 34 HD2 LYS 34 2.331 9.644 28.615 279 HD3 LYS 34 HD1 LYS 34 2.308 8.008 29.283 280 HE2 LYS 34 HE2 LYS 34 -0.008 9.967 29.397 281 HE3 LYS 34 HE1 LYS 34 0.160 8.666 28.215 282 HZ1 LYS 34 HZ1 LYS 34 -1.252 7.945 29.961 283 HZ2 LYS 34 HZ2 LYS 34 -0.138 8.389 31.147 284 HZ3 LYS 34 HZ3 LYS 34 0.212 7.103 30.109 285 H TYR 35 HN TYR 35 6.941 9.314 30.121 286 HA TYR 35 HA TYR 35 6.913 9.264 27.269 287 HB2 TYR 35 HB2 TYR 35 8.375 10.793 28.527 288 HB3 TYR 35 HB1 TYR 35 9.247 9.446 29.235 289 HD1 TYR 35 HD1 TYR 35 10.920 8.172 27.858 290 HD2 TYR 35 HD2 TYR 35 8.843 11.546 26.245 291 HE1 TYR 35 HE1 TYR 35 12.548 8.300 26.021 292 HE2 TYR 35 HE2 TYR 35 10.474 11.662 24.414 293 HH TYR 35 HH TYR 35 12.631 9.163 23.701 294 H ALA 36 HN ALA 36 8.432 7.206 29.736 295 HA ALA 36 HA ALA 36 9.846 5.443 28.099 296 HB1 ALA 36 HB1 ALA 36 9.969 3.962 30.057 297 HB2 ALA 36 HB2 ALA 36 8.682 4.878 30.848 298 HB3 ALA 36 HB3 ALA 36 10.236 5.644 30.524 299 H GLU 37 HN GLU 37 6.624 4.884 29.613 300 HA GLU 37 HA GLU 37 6.000 2.487 28.404 301 HB2 GLU 37 HB2 GLU 37 4.149 4.690 29.391 302 HB3 GLU 37 HB1 GLU 37 3.643 3.037 29.051 303 HG2 GLU 37 HG2 GLU 37 5.680 3.840 31.156 304 HG3 GLU 37 HG1 GLU 37 3.976 3.515 31.465 305 H LEU 38 HN LEU 38 4.627 5.614 27.564 306 HA LEU 38 HA LEU 38 3.500 5.076 25.131 307 HB2 LEU 38 HB2 LEU 38 5.051 7.585 25.756 308 HB3 LEU 38 HB1 LEU 38 4.096 7.389 24.295 309 HG LEU 38 HG LEU 38 3.046 7.432 27.145 310 HD11 LEU 38 HD11 LEU 38 3.687 9.619 26.244 311 HD12 LEU 38 HD12 LEU 38 1.944 9.500 26.466 312 HD13 LEU 38 HD13 LEU 38 2.638 9.367 24.848 313 HD21 LEU 38 HD21 LEU 38 0.782 7.253 26.192 314 HD22 LEU 38 HD22 LEU 38 1.728 5.816 25.820 315 HD23 LEU 38 HD23 LEU 38 1.461 7.038 24.573 316 H GLU 39 HN GLU 39 7.008 5.637 25.473 317 HA GLU 39 HA GLU 39 7.839 5.105 22.846 318 HB2 GLU 39 HB2 GLU 39 9.204 4.644 25.512 319 HB3 GLU 39 HB1 GLU 39 10.012 4.225 23.999 320 HG2 GLU 39 HG2 GLU 39 9.023 6.999 24.729 321 HG3 GLU 39 HG1 GLU 39 10.671 6.429 24.964 322 H LYS 40 HN LYS 40 7.128 2.881 25.450 323 HA LYS 40 HA LYS 40 7.876 0.428 24.104 324 HB2 LYS 40 HB2 LYS 40 5.968 0.802 26.447 325 HB3 LYS 40 HB1 LYS 40 6.645 -0.741 25.927 326 HG2 LYS 40 HG2 LYS 40 8.898 0.015 26.504 327 HG3 LYS 40 HG1 LYS 40 8.279 1.617 26.911 328 HD2 LYS 40 HD2 LYS 40 6.923 0.587 28.745 329 HD3 LYS 40 HD1 LYS 40 7.649 -0.981 28.369 330 HE2 LYS 40 HE2 LYS 40 9.892 -0.035 28.889 331 HE3 LYS 40 HE1 LYS 40 9.140 1.504 29.307 332 HZ1 LYS 40 HZ1 LYS 40 9.601 0.232 31.267 333 HZ2 LYS 40 HZ2 LYS 40 8.728 -1.087 30.684 334 HZ3 LYS 40 HZ3 LYS 40 7.928 0.346 31.071 335 H GLU 41 HN GLU 41 4.626 1.763 24.822 336 HA GLU 41 HA GLU 41 2.926 0.299 23.278 337 HB2 GLU 41 HB2 GLU 41 2.885 3.325 23.709 338 HB3 GLU 41 HB1 GLU 41 1.511 2.368 23.148 339 HG2 GLU 41 HG2 GLU 41 2.884 1.986 25.834 340 HG3 GLU 41 HG1 GLU 41 1.469 3.006 25.587 341 H LYS 42 HN LYS 42 4.896 2.998 22.294 342 HA LYS 42 HA LYS 42 4.116 3.164 19.551 343 HB2 LYS 42 HB2 LYS 42 5.289 4.991 20.801 344 HB3 LYS 42 HB1 LYS 42 6.756 4.017 20.827 345 HG2 LYS 42 HG2 LYS 42 6.790 4.091 18.325 346 HG3 LYS 42 HG1 LYS 42 5.380 5.161 18.366 347 HD2 LYS 42 HD2 LYS 42 8.127 5.729 19.548 348 HD3 LYS 42 HD1 LYS 42 7.458 6.453 18.083 349 HE2 LYS 42 HE2 LYS 42 5.704 7.560 19.425 350 HE3 LYS 42 HE1 LYS 42 6.335 6.814 20.895 351 HZ1 LYS 42 HZ1 LYS 42 8.363 8.033 20.655 352 HZ2 LYS 42 HZ2 LYS 42 7.072 9.116 20.599 353 HZ3 LYS 42 HZ3 LYS 42 7.861 8.684 19.173 354 H ALA 43 HN ALA 43 6.972 1.802 21.104 355 HA ALA 43 HA ALA 43 8.312 0.600 19.027 356 HB1 ALA 43 HB1 ALA 43 9.432 -0.860 20.659 357 HB2 ALA 43 HB2 ALA 43 8.186 -0.490 21.855 358 HB3 ALA 43 HB3 ALA 43 9.266 0.782 21.288 359 H THR 44 HN THR 44 5.825 -0.936 21.001 360 HA THR 44 HA THR 44 5.680 -3.422 19.693 361 HB THR 44 HB THR 44 3.540 -2.040 21.376 362 HG1 THR 44 HG1 THR 44 5.073 -2.306 22.834 363 HG21 THR 44 HG21 THR 44 2.687 -4.316 21.846 364 HG22 THR 44 HG22 THR 44 3.908 -5.013 20.780 365 HG23 THR 44 HG23 THR 44 2.629 -3.996 20.113 366 H LEU 45 HN LEU 45 3.486 -0.576 19.433 367 HA LEU 45 HA LEU 45 2.114 -1.259 17.190 368 HB2 LEU 45 HB2 LEU 45 3.207 1.463 17.866 369 HB3 LEU 45 HB1 LEU 45 2.471 1.201 16.291 370 HG LEU 45 HG LEU 45 1.090 0.920 18.986 371 HD11 LEU 45 HD11 LEU 45 0.678 2.866 16.708 372 HD12 LEU 45 HD12 LEU 45 1.377 3.225 18.290 373 HD13 LEU 45 HD13 LEU 45 -0.319 2.761 18.162 374 HD21 LEU 45 HD21 LEU 45 -0.016 0.326 16.215 375 HD22 LEU 45 HD22 LEU 45 -0.973 0.421 17.695 376 HD23 LEU 45 HD23 LEU 45 0.240 -0.841 17.515 377 H GLU 46 HN GLU 46 5.454 0.065 17.017 378 HA GLU 46 HA GLU 46 5.755 -0.107 14.221 379 HB2 GLU 46 HB2 GLU 46 7.927 -0.159 16.354 380 HB3 GLU 46 HB1 GLU 46 8.139 0.296 14.662 381 HG2 GLU 46 HG2 GLU 46 6.644 2.243 15.018 382 HG3 GLU 46 HG1 GLU 46 6.451 1.792 16.700 383 H ALA 47 HN ALA 47 6.042 -2.347 16.694 384 HA ALA 47 HA ALA 47 7.637 -4.441 15.461 385 HB1 ALA 47 HB1 ALA 47 7.532 -4.270 17.920 386 HB2 ALA 47 HB2 ALA 47 7.022 -5.870 17.377 387 HB3 ALA 47 HB3 ALA 47 5.816 -4.685 17.882 388 H GLU 48 HN GLU 48 4.268 -4.376 16.391 389 HA GLU 48 HA GLU 48 3.128 -6.450 14.982 390 HB2 GLU 48 HB2 GLU 48 1.983 -5.343 16.817 391 HB3 GLU 48 HB1 GLU 48 2.079 -3.788 16.011 392 HG2 GLU 48 HG2 GLU 48 -0.165 -4.373 15.818 393 HG3 GLU 48 HG1 GLU 48 0.509 -4.768 14.242 394 H ILE 49 HN ILE 49 2.864 -3.075 14.264 395 HA ILE 49 HA ILE 49 1.569 -3.349 11.802 396 HB ILE 49 HB ILE 49 1.824 -1.065 11.182 397 HG12 ILE 49 HG12 ILE 49 4.142 -0.892 13.161 398 HG13 ILE 49 HG11 ILE 49 4.205 -0.657 11.413 399 HG21 ILE 49 HG21 ILE 49 1.592 -1.228 14.208 400 HG22 ILE 49 HG22 ILE 49 0.291 -1.506 13.050 401 HG23 ILE 49 HG23 ILE 49 1.004 0.098 13.200 402 HD11 ILE 49 HD11 ILE 49 4.385 1.440 12.594 403 HD12 ILE 49 HD12 ILE 49 2.853 1.145 13.415 404 HD13 ILE 49 HD13 ILE 49 2.885 1.397 11.667 405 H ALA 50 HN ALA 50 5.218 -2.869 12.167 406 HA ALA 50 HA ALA 50 5.764 -3.318 9.447 407 HB1 ALA 50 HB1 ALA 50 8.068 -3.684 10.152 408 HB2 ALA 50 HB2 ALA 50 7.541 -3.896 11.827 409 HB3 ALA 50 HB3 ALA 50 7.358 -2.328 11.036 410 H ARG 51 HN ARG 51 5.363 -5.611 12.078 411 HA ARG 51 HA ARG 51 6.174 -8.007 10.820 412 HB2 ARG 51 HB2 ARG 51 5.456 -7.791 13.270 413 HB3 ARG 51 HB1 ARG 51 3.792 -7.870 12.714 414 HG2 ARG 51 HG2 ARG 51 4.408 -10.078 13.452 415 HG3 ARG 51 HG1 ARG 51 4.324 -10.124 11.686 416 HD2 ARG 51 HD2 ARG 51 6.835 -9.744 11.665 417 HD3 ARG 51 HD1 ARG 51 6.810 -9.976 13.413 418 HE ARG 51 HE ARG 51 5.567 -12.183 12.262 419 HH11 ARG 51 HH11 ARG 51 8.804 -10.780 12.339 420 HH12 ARG 51 HH12 ARG 51 9.587 -12.293 12.019 421 HH21 ARG 51 HH21 ARG 51 6.636 -14.143 11.787 422 HH22 ARG 51 HH22 ARG 51 8.372 -14.180 11.708 423 H LEU 52 HN LEU 52 2.949 -6.718 11.041 424 HA LEU 52 HA LEU 52 1.549 -8.145 9.146 425 HB2 LEU 52 HB2 LEU 52 1.213 -5.165 9.681 426 HB3 LEU 52 HB1 LEU 52 0.024 -6.216 8.918 427 HG LEU 52 HG LEU 52 0.918 -6.240 11.823 428 HD11 LEU 52 HD11 LEU 52 -1.448 -5.803 12.322 429 HD12 LEU 52 HD12 LEU 52 -1.806 -5.746 10.594 430 HD13 LEU 52 HD13 LEU 52 -0.740 -4.539 11.314 431 HD21 LEU 52 HD21 LEU 52 0.757 -8.567 11.174 432 HD22 LEU 52 HD22 LEU 52 -0.827 -8.301 10.432 433 HD23 LEU 52 HD23 LEU 52 -0.633 -8.151 12.181 434 H ARG 53 HN ARG 53 3.733 -5.355 8.602 435 HA ARG 53 HA ARG 53 3.215 -5.303 5.738 436 HB2 ARG 53 HB2 ARG 53 5.115 -3.700 7.478 437 HB3 ARG 53 HB1 ARG 53 4.868 -3.432 5.759 438 HG2 ARG 53 HG2 ARG 53 2.590 -2.679 6.155 439 HG3 ARG 53 HG1 ARG 53 2.707 -3.058 7.874 440 HD2 ARG 53 HD2 ARG 53 4.026 -0.827 6.309 441 HD3 ARG 53 HD1 ARG 53 3.124 -0.742 7.821 442 HE ARG 53 HE ARG 53 5.040 -1.311 9.022 443 HH11 ARG 53 HH11 ARG 53 5.788 -1.497 5.578 444 HH12 ARG 53 HH12 ARG 53 7.495 -1.343 5.814 445 HH21 ARG 53 HH21 ARG 53 7.319 -1.146 9.297 446 HH22 ARG 53 HH22 ARG 53 8.357 -1.156 7.908 447 H GLU 54 HN GLU 54 5.368 -7.131 7.743 448 HA GLU 54 HA GLU 54 7.363 -7.373 5.576 449 HB2 GLU 54 HB2 GLU 54 8.758 -8.640 7.016 450 HB3 GLU 54 HB1 GLU 54 8.115 -7.332 8.008 451 HG2 GLU 54 HG2 GLU 54 6.534 -8.881 9.046 452 HG3 GLU 54 HG1 GLU 54 7.085 -10.185 7.999 453 H VAL 55 HN VAL 55 4.762 -9.035 7.079 454 HA VAL 55 HA VAL 55 4.747 -11.382 5.409 455 HB VAL 55 HB VAL 55 2.378 -9.930 6.698 456 HG11 VAL 55 HG11 VAL 55 2.435 -12.664 5.343 457 HG12 VAL 55 HG12 VAL 55 1.582 -11.232 4.761 458 HG13 VAL 55 HG13 VAL 55 1.072 -12.012 6.259 459 HG21 VAL 55 HG21 VAL 55 3.888 -12.443 7.537 460 HG22 VAL 55 HG22 VAL 55 2.464 -11.788 8.351 461 HG23 VAL 55 HG23 VAL 55 3.967 -10.867 8.334 462 H HIS 56 HN HIS 56 3.033 -8.186 5.154 463 HA HIS 56 HA HIS 56 2.889 -8.330 2.306 464 HB2 HIS 56 HB2 HIS 56 2.394 -6.097 4.310 465 HB3 HIS 56 HB1 HIS 56 2.191 -5.877 2.575 466 HD1 HIS 56 HD1 HIS 56 0.010 -6.602 1.582 467 HD2 HIS 56 HD2 HIS 56 0.528 -8.074 5.431 468 HE1 HIS 56 HE1 HIS 56 -2.208 -7.591 2.233 469 HE2 HIS 56 HE2 HIS 56 -1.795 -8.659 4.468 470 H SER 57 HN SER 57 5.659 -8.694 3.120 471 HA SER 57 HA SER 57 6.789 -6.650 1.317 472 HB2 SER 57 HB2 SER 57 7.484 -5.917 3.579 473 HB3 SER 57 HB1 SER 57 8.169 -7.509 3.897 474 HG SER 57 HG SER 57 9.689 -5.857 3.177 475 H GLN 58 HN GLN 58 7.802 -9.554 3.163 476 HA GLN 58 HA GLN 58 9.230 -10.964 1.216 477 HB2 GLN 58 HB2 GLN 58 7.263 -12.180 3.225 478 HB3 GLN 58 HB1 GLN 58 8.631 -13.000 2.480 479 HG2 GLN 58 HG2 GLN 58 10.205 -11.736 3.780 480 HG3 GLN 58 HG1 GLN 58 8.957 -10.619 4.326 481 HE21 GLN 58 HE21 GLN 58 9.221 -10.967 6.522 482 HE22 GLN 58 HE22 GLN 58 8.851 -12.465 7.296 483 H LYS 59 HN LYS 59 5.755 -10.964 1.930 484 HA LYS 59 HA LYS 59 5.162 -11.580 -0.893 485 HB2 LYS 59 HB2 LYS 59 4.290 -13.277 0.818 486 HB3 LYS 59 HB1 LYS 59 3.307 -11.988 1.497 487 HG2 LYS 59 HG2 LYS 59 2.141 -11.749 -0.694 488 HG3 LYS 59 HG1 LYS 59 3.083 -13.102 -1.327 489 HD2 LYS 59 HD2 LYS 59 1.102 -13.208 0.988 490 HD3 LYS 59 HD1 LYS 59 0.832 -13.831 -0.643 491 HE2 LYS 59 HE2 LYS 59 2.694 -15.452 -0.295 492 HE3 LYS 59 HE1 LYS 59 2.888 -14.856 1.356 493 HZ1 LYS 59 HZ1 LYS 59 0.640 -15.569 1.833 494 HZ2 LYS 59 HZ2 LYS 59 1.568 -16.864 1.271 495 HZ3 LYS 59 HZ3 LYS 59 0.452 -16.122 0.246 496 H LEU 60 HN LEU 60 5.738 -9.260 -1.158 497 HA LEU 60 HA LEU 60 4.904 -7.056 0.166 498 HB2 LEU 60 HB2 LEU 60 6.441 -7.105 -1.829 499 HB3 LEU 60 HB1 LEU 60 5.039 -7.168 -2.878 500 HG LEU 60 HG LEU 60 5.475 -4.823 -0.969 501 HD11 LEU 60 HD11 LEU 60 6.560 -3.554 -2.756 502 HD12 LEU 60 HD12 LEU 60 6.553 -4.979 -3.799 503 HD13 LEU 60 HD13 LEU 60 7.510 -4.967 -2.315 504 HD21 LEU 60 HD21 LEU 60 4.118 -3.537 -2.579 505 HD22 LEU 60 HD22 LEU 60 3.229 -4.927 -1.965 506 HD23 LEU 60 HD23 LEU 60 3.929 -4.977 -3.584 507 H SER 61 HN SER 61 3.142 -8.408 -2.540 508 HA SER 61 HA SER 61 0.605 -8.151 -1.226 509 HB2 SER 61 HB2 SER 61 0.839 -5.901 -2.328 510 HB3 SER 61 HB1 SER 61 1.046 -6.703 -3.884 511 HG SER 61 HG SER 61 -1.238 -6.415 -2.296 512 H LYS 62 HN LYS 62 -1.111 -9.130 -2.865 513 HA LYS 62 HA LYS 62 -0.247 -11.704 -3.621 514 HB2 LYS 62 HB2 LYS 62 -2.742 -10.190 -4.500 515 HB3 LYS 62 HB1 LYS 62 -2.497 -11.925 -4.690 516 HG2 LYS 62 HG2 LYS 62 -2.380 -12.154 -2.213 517 HG3 LYS 62 HG1 LYS 62 -2.672 -10.423 -2.050 518 HD2 LYS 62 HD2 LYS 62 -4.755 -11.620 -1.657 519 HD3 LYS 62 HD1 LYS 62 -4.891 -10.718 -3.169 520 HE2 LYS 62 HE2 LYS 62 -4.528 -12.764 -4.462 521 HE3 LYS 62 HE1 LYS 62 -4.233 -13.683 -2.986 522 HZ1 LYS 62 HZ1 LYS 62 -6.470 -14.028 -3.821 523 HZ2 LYS 62 HZ2 LYS 62 -6.800 -12.376 -3.711 524 HZ3 LYS 62 HZ3 LYS 62 -6.508 -13.269 -2.310 525 H GLU 63 HN GLU 63 -1.599 -9.344 -5.845 526 HA GLU 63 HA GLU 63 -0.662 -10.169 -8.307 527 HB2 GLU 63 HB2 GLU 63 -2.321 -8.318 -7.968 528 HB3 GLU 63 HB1 GLU 63 -1.034 -7.272 -7.409 529 HG2 GLU 63 HG2 GLU 63 -1.711 -6.804 -9.748 530 HG3 GLU 63 HG1 GLU 63 -0.009 -7.249 -9.603 531 H ALA 64 HN ALA 64 1.009 -8.012 -5.992 532 HA ALA 64 HA ALA 64 3.099 -7.159 -7.732 533 HB1 ALA 64 HB1 ALA 64 2.383 -5.832 -5.793 534 HB2 ALA 64 HB2 ALA 64 4.114 -6.175 -5.731 535 HB3 ALA 64 HB3 ALA 64 2.993 -7.077 -4.704 536 H GLN 65 HN GLN 65 3.297 -9.266 -4.826 537 HA GLN 65 HA GLN 65 5.899 -10.254 -5.147 538 HB2 GLN 65 HB2 GLN 65 4.128 -10.669 -3.232 539 HB3 GLN 65 HB1 GLN 65 3.672 -12.079 -4.170 540 HG2 GLN 65 HG2 GLN 65 6.427 -11.536 -2.998 541 HG3 GLN 65 HG1 GLN 65 5.206 -12.587 -2.293 542 HE21 GLN 65 HE21 GLN 65 7.740 -12.316 -4.562 543 HE22 GLN 65 HE22 GLN 65 7.691 -13.934 -5.165 544 H LYS 66 HN LYS 66 2.862 -11.584 -6.589 545 HA LYS 66 HA LYS 66 3.943 -13.528 -8.208 546 HB2 LYS 66 HB2 LYS 66 1.567 -13.286 -7.852 547 HB3 LYS 66 HB1 LYS 66 1.548 -11.741 -8.696 548 HG2 LYS 66 HG2 LYS 66 1.976 -12.799 -10.815 549 HG3 LYS 66 HG1 LYS 66 2.306 -14.347 -10.042 550 HD2 LYS 66 HD2 LYS 66 0.072 -14.394 -11.032 551 HD3 LYS 66 HD1 LYS 66 -0.063 -14.453 -9.273 552 HE2 LYS 66 HE2 LYS 66 -1.738 -12.935 -10.160 553 HE3 LYS 66 HE1 LYS 66 -0.540 -12.000 -9.263 554 HZ1 LYS 66 HZ1 LYS 66 -0.563 -12.339 -12.215 555 HZ2 LYS 66 HZ2 LYS 66 0.488 -11.355 -11.326 556 HZ3 LYS 66 HZ3 LYS 66 -1.156 -10.989 -11.389 557 H LEU 67 HN LEU 67 3.436 -10.093 -9.188 558 HA LEU 67 HA LEU 67 4.527 -10.046 -11.674 559 HB2 LEU 67 HB2 LEU 67 4.969 -7.929 -9.524 560 HB3 LEU 67 HB1 LEU 67 5.368 -7.697 -11.220 561 HG LEU 67 HG LEU 67 2.582 -8.061 -10.048 562 HD11 LEU 67 HD11 LEU 67 3.817 -5.655 -11.431 563 HD12 LEU 67 HD12 LEU 67 3.536 -5.808 -9.693 564 HD13 LEU 67 HD13 LEU 67 2.167 -5.775 -10.802 565 HD21 LEU 67 HD21 LEU 67 2.747 -9.195 -12.232 566 HD22 LEU 67 HD22 LEU 67 3.344 -7.694 -12.953 567 HD23 LEU 67 HD23 LEU 67 1.708 -7.769 -12.301 568 H MET 68 HN MET 68 6.368 -9.707 -8.726 569 HA MET 68 HA MET 68 8.940 -9.944 -9.572 570 HB2 MET 68 HB2 MET 68 7.854 -11.209 -7.030 571 HB3 MET 68 HB1 MET 68 9.539 -10.793 -7.333 572 HG2 MET 68 HG2 MET 68 8.968 -8.430 -7.449 573 HG3 MET 68 HG1 MET 68 7.257 -8.802 -7.260 574 HE1 MET 68 HE1 MET 68 6.961 -7.115 -5.290 575 HE2 MET 68 HE2 MET 68 8.647 -6.626 -5.477 576 HE3 MET 68 HE3 MET 68 8.023 -7.047 -3.883 577 H LYS 69 HN LYS 69 6.902 -12.890 -8.738 578 HA LYS 69 HA LYS 69 8.950 -14.599 -9.927 579 HB2 LYS 69 HB2 LYS 69 7.577 -16.440 -9.012 580 HB3 LYS 69 HB1 LYS 69 7.905 -15.225 -7.784 581 HG2 LYS 69 HG2 LYS 69 5.641 -14.291 -8.104 582 HG3 LYS 69 HG1 LYS 69 5.309 -15.532 -9.317 583 HD2 LYS 69 HD2 LYS 69 5.571 -17.283 -7.581 584 HD3 LYS 69 HD1 LYS 69 5.912 -16.035 -6.372 585 HE2 LYS 69 HE2 LYS 69 3.654 -15.091 -6.716 586 HE3 LYS 69 HE1 LYS 69 3.317 -16.317 -7.940 587 HZ1 LYS 69 HZ1 LYS 69 2.362 -16.868 -5.799 588 HZ2 LYS 69 HZ2 LYS 69 3.896 -16.848 -5.089 589 HZ3 LYS 69 HZ3 LYS 69 3.526 -18.003 -6.259 590 H MET 70 HN MET 70 7.198 -12.781 -11.686 591 HA MET 70 HA MET 70 5.513 -14.443 -13.271 592 HB2 MET 70 HB2 MET 70 6.779 -11.733 -13.684 593 HB3 MET 70 HB1 MET 70 6.075 -12.542 -15.075 594 HG2 MET 70 HG2 MET 70 4.558 -11.948 -12.532 595 HG3 MET 70 HG1 MET 70 4.562 -10.922 -13.959 596 HE1 MET 70 HE1 MET 70 2.088 -10.903 -14.679 597 HE2 MET 70 HE2 MET 70 1.788 -11.572 -13.070 598 HE3 MET 70 HE3 MET 70 1.021 -12.299 -14.484 599 HA PRO 71 HA PRO 71 8.660 -16.465 -15.774 600 HB2 PRO 71 HB2 PRO 71 7.086 -17.553 -17.717 601 HB3 PRO 71 HB1 PRO 71 7.115 -18.158 -16.061 602 HG2 PRO 71 HG2 PRO 71 5.077 -16.455 -17.430 603 HG3 PRO 71 HG1 PRO 71 4.851 -17.704 -16.190 604 HD2 PRO 71 HD2 PRO 71 4.883 -14.934 -15.732 605 HD3 PRO 71 HD1 PRO 71 5.071 -16.188 -14.493 606 H PHE 72 HN PHE 72 6.312 -14.705 -17.881 607 HA PHE 72 HA PHE 72 8.490 -14.229 -19.880 608 HB2 PHE 72 HB2 PHE 72 5.458 -14.133 -20.303 609 HB3 PHE 72 HB1 PHE 72 6.662 -13.831 -21.543 610 HD1 PHE 72 HD1 PHE 72 5.199 -16.457 -19.353 611 HD2 PHE 72 HD2 PHE 72 7.632 -15.662 -22.776 612 HE1 PHE 72 HE1 PHE 72 5.118 -18.833 -19.972 613 HE2 PHE 72 HE2 PHE 72 7.541 -18.042 -23.385 614 HZ PHE 72 HZ PHE 72 6.287 -19.629 -21.987 615 H GLN 73 HN GLN 73 9.238 -11.867 -19.743 616 HA GLN 73 HA GLN 73 7.380 -9.877 -19.077 617 HB2 GLN 73 HB2 GLN 73 8.011 -9.255 -16.855 618 HB3 GLN 73 HB1 GLN 73 7.662 -10.975 -16.776 619 HG2 GLN 73 HG2 GLN 73 10.468 -9.819 -16.967 620 HG3 GLN 73 HG1 GLN 73 9.673 -10.209 -15.447 621 HE21 GLN 73 HE21 GLN 73 9.350 -12.365 -14.895 622 HE22 GLN 73 HE22 GLN 73 10.165 -13.664 -15.689 623 H ARG 74 HN ARG 74 8.583 -7.911 -18.486 624 HA ARG 74 HA ARG 74 11.340 -7.422 -18.965 625 HB2 ARG 74 HB2 ARG 74 11.401 -6.325 -21.170 626 HB3 ARG 74 HB1 ARG 74 10.896 -8.004 -21.311 627 HG2 ARG 74 HG2 ARG 74 8.516 -7.225 -21.525 628 HG3 ARG 74 HG1 ARG 74 9.097 -5.555 -21.502 629 HD2 ARG 74 HD2 ARG 74 10.426 -5.977 -23.523 630 HD3 ARG 74 HD1 ARG 74 9.904 -7.659 -23.528 631 HE ARG 74 HE ARG 74 7.898 -5.514 -23.777 632 HH11 ARG 74 HH11 ARG 74 9.513 -8.287 -25.200 633 HH12 ARG 74 HH12 ARG 74 8.515 -8.289 -26.618 634 HH21 ARG 74 HH21 ARG 74 6.611 -5.537 -25.660 635 HH22 ARG 74 HH22 ARG 74 6.879 -6.743 -26.871 636 H ALA 75 HN ALA 75 11.667 -4.840 -19.670 637 HA ALA 75 HA ALA 75 9.542 -3.279 -18.357 638 HB1 ALA 75 HB1 ALA 75 12.540 -2.747 -18.326 639 HB2 ALA 75 HB2 ALA 75 11.571 -3.270 -16.948 640 HB3 ALA 75 HB3 ALA 75 11.303 -1.677 -17.655 641 H ILE 76 HN ILE 76 8.702 -1.672 -19.984 642 HA ILE 76 HA ILE 76 9.087 -2.966 -22.511 643 HB ILE 76 HB ILE 76 7.209 -0.676 -21.727 644 HG12 ILE 76 HG12 ILE 76 6.796 -2.669 -20.280 645 HG13 ILE 76 HG11 ILE 76 5.438 -2.349 -21.354 646 HG21 ILE 76 HG21 ILE 76 7.484 -0.866 -24.139 647 HG22 ILE 76 HG22 ILE 76 5.870 -1.401 -23.678 648 HG23 ILE 76 HG23 ILE 76 7.106 -2.590 -24.084 649 HD11 ILE 76 HD11 ILE 76 5.891 -4.733 -21.142 650 HD12 ILE 76 HD12 ILE 76 7.529 -4.499 -21.747 651 HD13 ILE 76 HD13 ILE 76 6.147 -4.196 -22.802 652 H THR 77 HN THR 77 10.250 -2.138 -24.156 653 HA THR 77 HA THR 77 11.828 0.222 -23.985 654 HB THR 77 HB THR 77 12.245 -0.264 -26.484 655 HG1 THR 77 HG1 THR 77 11.377 -2.192 -27.282 656 HG21 THR 77 HG21 THR 77 13.533 -2.334 -26.079 657 HG22 THR 77 HG22 THR 77 12.701 -2.547 -24.539 658 HG23 THR 77 HG23 THR 77 13.767 -1.163 -24.776 659 H LYS 78 HN LYS 78 11.653 2.157 -25.197 660 HA LYS 78 HA LYS 78 9.214 3.415 -25.684 661 HB2 LYS 78 HB2 LYS 78 11.409 4.589 -25.480 662 HB3 LYS 78 HB1 LYS 78 11.887 3.945 -27.047 663 HG2 LYS 78 HG2 LYS 78 9.984 5.220 -28.092 664 HG3 LYS 78 HG1 LYS 78 9.645 5.932 -26.515 665 HD2 LYS 78 HD2 LYS 78 10.941 7.509 -27.839 666 HD3 LYS 78 HD1 LYS 78 11.937 6.927 -26.499 667 HE2 LYS 78 HE2 LYS 78 13.055 5.336 -28.064 668 HE3 LYS 78 HE1 LYS 78 12.081 5.977 -29.391 669 HZ1 LYS 78 HZ1 LYS 78 14.011 7.526 -27.761 670 HZ2 LYS 78 HZ2 LYS 78 13.098 8.129 -29.041 671 HZ3 LYS 78 HZ3 LYS 78 14.281 6.957 -29.327 672 H LYS 79 HN LYS 79 11.030 1.298 -27.612 673 HA LYS 79 HA LYS 79 9.891 1.571 -30.205 674 HB2 LYS 79 HB2 LYS 79 11.966 0.116 -29.338 675 HB3 LYS 79 HB1 LYS 79 10.764 -1.162 -29.235 676 HG2 LYS 79 HG2 LYS 79 11.428 0.413 -31.746 677 HG3 LYS 79 HG1 LYS 79 12.094 -1.171 -31.353 678 HD2 LYS 79 HD2 LYS 79 9.840 -2.159 -31.474 679 HD3 LYS 79 HD1 LYS 79 9.143 -0.569 -31.799 680 HE2 LYS 79 HE2 LYS 79 10.482 -0.447 -33.905 681 HE3 LYS 79 HE1 LYS 79 11.088 -2.074 -33.589 682 HZ1 LYS 79 HZ1 LYS 79 8.880 -2.929 -33.757 683 HZ2 LYS 79 HZ2 LYS 79 9.209 -2.016 -35.140 684 HZ3 LYS 79 HZ3 LYS 79 8.222 -1.380 -33.920 685 H GLU 80 HN GLU 80 8.970 -0.484 -27.445 686 HA GLU 80 HA GLU 80 6.514 -1.416 -28.765 687 HB2 GLU 80 HB2 GLU 80 7.959 -2.198 -26.210 688 HB3 GLU 80 HB1 GLU 80 6.331 -2.763 -26.566 689 HG2 GLU 80 HG2 GLU 80 8.749 -3.254 -28.336 690 HG3 GLU 80 HG1 GLU 80 8.100 -4.407 -27.164 691 H GLN 81 HN GLN 81 7.422 1.151 -26.486 692 HA GLN 81 HA GLN 81 4.754 1.728 -25.827 693 HB2 GLN 81 HB2 GLN 81 7.173 3.567 -26.030 694 HB3 GLN 81 HB1 GLN 81 5.627 4.026 -25.311 695 HG2 GLN 81 HG2 GLN 81 5.883 2.335 -23.569 696 HG3 GLN 81 HG1 GLN 81 7.359 1.731 -24.316 697 HE21 GLN 81 HE21 GLN 81 8.568 2.082 -22.445 698 HE22 GLN 81 HE22 GLN 81 9.004 3.662 -21.897 699 H ALA 82 HN ALA 82 6.675 2.622 -28.602 700 HA ALA 82 HA ALA 82 4.720 4.021 -30.048 701 HB1 ALA 82 HB1 ALA 82 7.078 3.946 -30.772 702 HB2 ALA 82 HB2 ALA 82 6.001 3.478 -32.089 703 HB3 ALA 82 HB3 ALA 82 6.901 2.244 -31.204 704 H ASP 83 HN ASP 83 5.512 0.558 -30.103 705 HA ASP 83 HA ASP 83 3.005 -0.090 -31.500 706 HB2 ASP 83 HB2 ASP 83 5.375 -1.867 -30.754 707 HB3 ASP 83 HB1 ASP 83 3.986 -2.360 -31.721 708 H MET 84 HN MET 84 2.872 0.885 -28.734 709 HA MET 84 HA MET 84 2.632 -1.271 -26.912 710 HB2 MET 84 HB2 MET 84 3.034 1.071 -26.191 711 HB3 MET 84 HB1 MET 84 1.412 1.505 -26.705 712 HG2 MET 84 HG2 MET 84 0.426 0.599 -24.869 713 HG3 MET 84 HG1 MET 84 1.584 -0.719 -24.752 714 HE1 MET 84 HE1 MET 84 3.606 -0.767 -23.240 715 HE2 MET 84 HE2 MET 84 4.442 0.670 -22.653 716 HE3 MET 84 HE3 MET 84 4.377 0.334 -24.385 717 H GLY 85 HN GLY 85 0.394 0.192 -29.144 718 HA2 GLY 85 HA2 GLY 85 -2.010 -0.858 -28.052 719 HA3 GLY 85 HA1 GLY 85 -1.753 -0.296 -29.703 720 H LYS 86 HN LYS 86 0.373 -2.105 -30.486 721 HA LYS 86 HA LYS 86 -1.182 -4.399 -31.179 722 HB2 LYS 86 HB2 LYS 86 0.312 -3.486 -32.839 723 HB3 LYS 86 HB1 LYS 86 1.663 -3.454 -31.727 724 HG2 LYS 86 HG2 LYS 86 0.468 -6.115 -32.502 725 HG3 LYS 86 HG1 LYS 86 1.492 -5.275 -33.663 726 HD2 LYS 86 HD2 LYS 86 2.301 -6.104 -30.850 727 HD3 LYS 86 HD1 LYS 86 2.777 -6.923 -32.337 728 HE2 LYS 86 HE2 LYS 86 4.059 -4.973 -33.044 729 HE3 LYS 86 HE1 LYS 86 3.471 -4.049 -31.660 730 HZ1 LYS 86 HZ1 LYS 86 5.687 -4.843 -31.263 731 HZ2 LYS 86 HZ2 LYS 86 5.216 -6.441 -31.549 732 HZ3 LYS 86 HZ3 LYS 86 4.621 -5.609 -30.203 733 H LEU 87 HN LEU 87 1.969 -3.971 -29.434 734 HA LEU 87 HA LEU 87 2.439 -5.951 -27.992 735 HB2 LEU 87 HB2 LEU 87 3.578 -3.900 -27.584 736 HB3 LEU 87 HB1 LEU 87 2.148 -3.164 -26.893 737 HG LEU 87 HG LEU 87 2.326 -4.688 -24.925 738 HD11 LEU 87 HD11 LEU 87 4.362 -6.011 -24.548 739 HD12 LEU 87 HD12 LEU 87 4.915 -5.627 -26.181 740 HD13 LEU 87 HD13 LEU 87 3.453 -6.590 -25.942 741 HD21 LEU 87 HD21 LEU 87 4.822 -3.053 -25.458 742 HD22 LEU 87 HD22 LEU 87 4.261 -3.595 -23.875 743 HD23 LEU 87 HD23 LEU 87 3.295 -2.450 -24.802 744 H LYS 88 HN LYS 88 -0.558 -4.082 -26.972 745 HA LYS 88 HA LYS 88 -0.386 -5.534 -24.418 746 HB2 LYS 88 HB2 LYS 88 -1.856 -3.044 -25.358 747 HB3 LYS 88 HB1 LYS 88 -2.318 -3.852 -23.861 748 HG2 LYS 88 HG2 LYS 88 -0.055 -3.508 -22.950 749 HG3 LYS 88 HG1 LYS 88 0.453 -2.755 -24.462 750 HD2 LYS 88 HD2 LYS 88 0.015 -1.012 -22.842 751 HD3 LYS 88 HD1 LYS 88 -1.230 -0.949 -24.088 752 HE2 LYS 88 HE2 LYS 88 -2.752 -2.190 -22.559 753 HE3 LYS 88 HE1 LYS 88 -1.507 -2.122 -21.306 754 HZ1 LYS 88 HZ1 LYS 88 -1.661 0.252 -21.309 755 HZ2 LYS 88 HZ2 LYS 88 -3.205 -0.398 -21.094 756 HZ3 LYS 88 HZ3 LYS 88 -2.755 0.230 -22.592 757 H LYS 89 HN LYS 89 -2.370 -5.159 -27.322 758 HA LYS 89 HA LYS 89 -4.517 -6.823 -26.386 759 HB2 LYS 89 HB2 LYS 89 -5.328 -6.823 -28.733 760 HB3 LYS 89 HB1 LYS 89 -5.007 -5.211 -28.135 761 HG2 LYS 89 HG2 LYS 89 -4.094 -4.985 -30.233 762 HG3 LYS 89 HG1 LYS 89 -2.668 -5.555 -29.378 763 HD2 LYS 89 HD2 LYS 89 -2.817 -6.740 -31.483 764 HD3 LYS 89 HD1 LYS 89 -3.168 -7.886 -30.189 765 HE2 LYS 89 HE2 LYS 89 -5.573 -7.676 -30.636 766 HE3 LYS 89 HE1 LYS 89 -5.258 -6.488 -31.899 767 HZ1 LYS 89 HZ1 LYS 89 -5.651 -8.640 -32.844 768 HZ2 LYS 89 HZ2 LYS 89 -4.421 -9.333 -31.912 769 HZ3 LYS 89 HZ3 LYS 89 -4.036 -8.207 -33.110 770 H SER 90 HN SER 90 -1.567 -7.372 -28.292 771 HA SER 90 HA SER 90 -1.907 -10.052 -29.067 772 HB2 SER 90 HB2 SER 90 -0.221 -8.472 -30.007 773 HB3 SER 90 HB1 SER 90 0.681 -8.558 -28.497 774 HG SER 90 HG SER 90 1.140 -10.696 -28.902 775 H VAL 91 HN VAL 91 -1.856 -9.127 -25.894 776 HA VAL 91 HA VAL 91 -0.600 -11.667 -25.012 777 HB VAL 91 HB VAL 91 -0.766 -9.340 -23.092 778 HG11 VAL 91 HG11 VAL 91 1.272 -11.572 -23.436 779 HG12 VAL 91 HG12 VAL 91 -0.047 -11.541 -22.263 780 HG13 VAL 91 HG13 VAL 91 1.264 -10.368 -22.141 781 HG21 VAL 91 HG21 VAL 91 0.243 -8.263 -25.010 782 HG22 VAL 91 HG22 VAL 91 1.399 -9.578 -25.198 783 HG23 VAL 91 HG23 VAL 91 1.479 -8.529 -23.780 784 H ARG 92 HN ARG 92 -3.355 -9.705 -25.166 785 HA ARG 92 HA ARG 92 -5.529 -9.886 -24.550 786 HB2 ARG 92 HB2 ARG 92 -5.358 -12.371 -24.575 787 HB3 ARG 92 HB1 ARG 92 -4.719 -12.344 -22.936 788 HG2 ARG 92 HG2 ARG 92 -6.974 -11.173 -22.319 789 HG3 ARG 92 HG1 ARG 92 -7.538 -11.778 -23.877 790 HD2 ARG 92 HD2 ARG 92 -8.182 -13.362 -22.179 791 HD3 ARG 92 HD1 ARG 92 -6.878 -14.094 -23.126 792 HE ARG 92 HE ARG 92 -6.279 -12.693 -20.595 793 HH11 ARG 92 HH11 ARG 92 -6.268 -15.722 -22.383 794 HH12 ARG 92 HH12 ARG 92 -5.305 -16.544 -21.198 795 HH21 ARG 92 HH21 ARG 92 -5.012 -13.763 -19.077 796 HH22 ARG 92 HH22 ARG 92 -4.584 -15.425 -19.327 797 H GLY 93 HN GLY 93 -3.937 -11.087 -21.615 798 HA2 GLY 93 HA2 GLY 93 -4.250 -8.430 -20.310 799 HA3 GLY 93 HA1 GLY 93 -4.327 -9.970 -19.440 800 H LEU 94 HN LEU 94 -2.172 -7.666 -19.125 801 HA LEU 94 HA LEU 94 0.246 -8.932 -19.415 802 HB2 LEU 94 HB2 LEU 94 0.285 -8.364 -21.761 803 HB3 LEU 94 HB1 LEU 94 -0.692 -6.930 -21.526 804 HG LEU 94 HG LEU 94 1.293 -5.818 -20.439 805 HD11 LEU 94 HD11 LEU 94 2.879 -8.228 -21.358 806 HD12 LEU 94 HD12 LEU 94 2.515 -7.803 -19.682 807 HD13 LEU 94 HD13 LEU 94 3.530 -6.743 -20.655 808 HD21 LEU 94 HD21 LEU 94 0.800 -5.379 -22.785 809 HD22 LEU 94 HD22 LEU 94 1.766 -6.771 -23.274 810 HD23 LEU 94 HD23 LEU 94 2.540 -5.383 -22.507 811 H VAL 95 HN VAL 95 1.667 -7.117 -18.232 812 HA VAL 95 HA VAL 95 -0.144 -5.439 -16.617 813 HB VAL 95 HB VAL 95 2.317 -6.892 -15.503 814 HG11 VAL 95 HG11 VAL 95 1.935 -4.691 -14.461 815 HG12 VAL 95 HG12 VAL 95 1.571 -5.972 -13.310 816 HG13 VAL 95 HG13 VAL 95 0.257 -5.115 -14.118 817 HG21 VAL 95 HG21 VAL 95 0.709 -8.228 -14.141 818 HG22 VAL 95 HG22 VAL 95 0.495 -8.507 -15.870 819 HG23 VAL 95 HG23 VAL 95 -0.637 -7.470 -14.999 820 H VAL 96 HN VAL 96 0.627 -3.395 -16.577 821 HA VAL 96 HA VAL 96 3.320 -2.732 -17.597 822 HB VAL 96 HB VAL 96 0.829 -1.244 -18.564 823 HG11 VAL 96 HG11 VAL 96 2.387 -0.047 -20.093 824 HG12 VAL 96 HG12 VAL 96 3.748 -0.906 -19.367 825 HG13 VAL 96 HG13 VAL 96 2.801 0.222 -18.397 826 HG21 VAL 96 HG21 VAL 96 0.936 -3.469 -19.643 827 HG22 VAL 96 HG22 VAL 96 2.594 -3.154 -20.156 828 HG23 VAL 96 HG23 VAL 96 1.269 -2.191 -20.817 829 H VAL 97 HN VAL 97 4.280 -1.095 -16.296 830 HA VAL 97 HA VAL 97 2.633 0.156 -14.192 831 HB VAL 97 HB VAL 97 5.261 -1.262 -13.543 832 HG11 VAL 97 HG11 VAL 97 4.607 -0.910 -11.180 833 HG12 VAL 97 HG12 VAL 97 3.146 -0.071 -11.708 834 HG13 VAL 97 HG13 VAL 97 4.734 0.614 -12.060 835 HG21 VAL 97 HG21 VAL 97 2.468 -2.340 -12.960 836 HG22 VAL 97 HG22 VAL 97 3.979 -3.041 -12.375 837 HG23 VAL 97 HG23 VAL 97 3.624 -3.026 -14.102 838 H HIS 98 HN HIS 98 3.275 2.314 -13.963 839 HA HIS 98 HA HIS 98 5.336 3.265 -15.806 840 HB2 HIS 98 HB2 HIS 98 2.930 4.206 -15.653 841 HB3 HIS 98 HB1 HIS 98 3.413 4.927 -14.124 842 HD2 HIS 98 HD2 HIS 98 3.845 5.424 -17.934 843 HE1 HIS 98 HE1 HIS 98 5.934 8.514 -15.976 844 HE2 HIS 98 HE2 HIS 98 4.928 7.756 -18.159 845 HA PRO 99 HA PRO 99 8.258 3.835 -12.405 846 HB2 PRO 99 HB2 PRO 99 9.958 5.706 -13.432 847 HB3 PRO 99 HB1 PRO 99 9.885 4.051 -14.053 848 HG2 PRO 99 HG2 PRO 99 8.528 6.530 -15.134 849 HG3 PRO 99 HG1 PRO 99 9.499 5.319 -16.005 850 HD2 PRO 99 HD2 PRO 99 6.800 5.220 -16.014 851 HD3 PRO 99 HD1 PRO 99 7.778 3.736 -15.987 852 H MET 100 HN MET 100 6.476 6.653 -13.615 853 HA MET 100 HA MET 100 7.363 8.335 -11.389 854 HB2 MET 100 HB2 MET 100 5.389 8.987 -13.598 855 HB3 MET 100 HB1 MET 100 5.989 10.129 -12.397 856 HG2 MET 100 HG2 MET 100 8.326 9.581 -13.294 857 HG3 MET 100 HG1 MET 100 7.504 8.823 -14.659 858 HE1 MET 100 HE1 MET 100 4.897 10.915 -14.763 859 HE2 MET 100 HE2 MET 100 5.679 10.290 -16.215 860 HE3 MET 100 HE3 MET 100 5.465 12.027 -16.006 861 H THR 101 HN THR 101 4.821 6.152 -12.001 862 HA THR 101 HA THR 101 3.018 7.201 -9.977 863 HB THR 101 HB THR 101 1.724 5.121 -10.309 864 HG1 THR 101 HG1 THR 101 4.089 4.223 -11.318 865 HG21 THR 101 HG21 THR 101 1.331 6.947 -11.933 866 HG22 THR 101 HG22 THR 101 1.134 5.368 -12.697 867 HG23 THR 101 HG23 THR 101 2.605 6.303 -12.974 868 H ALA 102 HN ALA 102 2.745 6.338 -7.899 869 HA ALA 102 HA ALA 102 5.139 5.930 -6.523 870 HB1 ALA 102 HB1 ALA 102 3.756 5.689 -4.515 871 HB2 ALA 102 HB2 ALA 102 2.314 5.463 -5.509 872 HB3 ALA 102 HB3 ALA 102 3.169 7.007 -5.528 873 H LEU 103 HN LEU 103 2.964 3.551 -7.816 874 HA LEU 103 HA LEU 103 3.665 1.344 -6.020 875 HB2 LEU 103 HB2 LEU 103 1.475 1.264 -7.288 876 HB3 LEU 103 HB1 LEU 103 2.381 1.109 -8.787 877 HG LEU 103 HG LEU 103 3.360 -1.055 -7.936 878 HD11 LEU 103 HD11 LEU 103 3.187 -0.683 -5.526 879 HD12 LEU 103 HD12 LEU 103 2.387 -2.184 -5.983 880 HD13 LEU 103 HD13 LEU 103 1.422 -0.751 -5.620 881 HD21 LEU 103 HD21 LEU 103 1.413 -1.158 -9.425 882 HD22 LEU 103 HD22 LEU 103 0.320 -1.054 -8.044 883 HD23 LEU 103 HD23 LEU 103 1.362 -2.469 -8.243 884 H GLY 104 HN GLY 104 4.441 2.244 -9.488 885 HA2 GLY 104 HA2 GLY 104 6.645 0.697 -9.838 886 HA3 GLY 104 HA1 GLY 104 6.323 2.226 -10.627 887 H ARG 105 HN ARG 105 6.586 3.415 -7.576 888 HA ARG 105 HA ARG 105 9.400 4.037 -8.128 889 HB2 ARG 105 HB2 ARG 105 7.461 5.431 -6.229 890 HB3 ARG 105 HB1 ARG 105 9.125 5.919 -6.563 891 HG2 ARG 105 HG2 ARG 105 8.316 6.153 -9.018 892 HG3 ARG 105 HG1 ARG 105 6.691 6.119 -8.337 893 HD2 ARG 105 HD2 ARG 105 7.388 8.420 -8.623 894 HD3 ARG 105 HD1 ARG 105 7.296 8.064 -6.893 895 HE ARG 105 HE ARG 105 9.923 7.658 -8.025 896 HH11 ARG 105 HH11 ARG 105 7.829 10.049 -6.546 897 HH12 ARG 105 HH12 ARG 105 9.147 11.094 -6.120 898 HH21 ARG 105 HH21 ARG 105 11.627 9.023 -7.448 899 HH22 ARG 105 HH22 ARG 105 11.291 10.514 -6.621 900 H GLU 106 HN GLU 106 7.200 2.354 -6.050 901 HA GLU 106 HA GLU 106 8.959 2.373 -3.717 902 HB2 GLU 106 HB2 GLU 106 6.420 2.765 -3.562 903 HB3 GLU 106 HB1 GLU 106 6.210 1.082 -4.011 904 HG2 GLU 106 HG2 GLU 106 6.007 1.380 -1.596 905 HG3 GLU 106 HG1 GLU 106 7.412 0.375 -1.982 906 H MET 107 HN MET 107 7.778 0.342 -6.383 907 HA MET 107 HA MET 107 8.791 -2.163 -5.215 908 HB2 MET 107 HB2 MET 107 7.367 -1.525 -7.829 909 HB3 MET 107 HB1 MET 107 8.178 -3.057 -7.584 910 HG2 MET 107 HG2 MET 107 6.677 -3.607 -5.750 911 HG3 MET 107 HG1 MET 107 5.896 -2.035 -5.877 912 HE1 MET 107 HE1 MET 107 6.585 -5.440 -7.797 913 HE2 MET 107 HE2 MET 107 7.037 -4.230 -9.002 914 HE3 MET 107 HE3 MET 107 5.593 -5.215 -9.237 915 H GLY 108 HN GLY 108 9.831 0.607 -6.969 916 HA2 GLY 108 HA2 GLY 108 12.172 1.086 -6.823 917 HA3 GLY 108 HA1 GLY 108 12.535 -0.595 -7.161 918 H LEU 109 HN LEU 109 10.112 0.353 -9.229 919 HA LEU 109 HA LEU 109 11.792 -0.046 -11.507 920 HB2 LEU 109 HB2 LEU 109 8.906 0.893 -11.571 921 HB3 LEU 109 HB1 LEU 109 9.758 -0.070 -12.770 922 HG LEU 109 HG LEU 109 8.943 -1.031 -9.991 923 HD11 LEU 109 HD11 LEU 109 6.985 -0.725 -11.415 924 HD12 LEU 109 HD12 LEU 109 7.277 -2.434 -11.114 925 HD13 LEU 109 HD13 LEU 109 7.708 -1.728 -12.674 926 HD21 LEU 109 HD21 LEU 109 9.617 -3.277 -10.727 927 HD22 LEU 109 HD22 LEU 109 10.984 -2.168 -10.758 928 HD23 LEU 109 HD23 LEU 109 10.186 -2.627 -12.268 929 H GLU 110 HN GLU 110 13.131 1.572 -12.137 930 HA GLU 110 HA GLU 110 12.359 4.420 -12.119 931 HB2 GLU 110 HB2 GLU 110 14.734 4.797 -12.696 932 HB3 GLU 110 HB1 GLU 110 14.588 3.753 -11.282 933 HG2 GLU 110 HG2 GLU 110 14.877 1.771 -12.851 934 HG3 GLU 110 HG1 GLU 110 15.274 2.928 -14.121 935 H GLU 111 HN GLU 111 11.385 2.183 -13.973 936 HA GLU 111 HA GLU 111 11.299 3.694 -16.458 937 HB2 GLU 111 HB2 GLU 111 12.256 1.833 -17.828 938 HB3 GLU 111 HB1 GLU 111 13.439 2.514 -16.710 939 HG2 GLU 111 HG2 GLU 111 12.789 0.562 -15.136 940 HG3 GLU 111 HG1 GLU 111 12.009 -0.151 -16.548 941 H MET 112 HN MET 112 9.687 2.736 -18.003 942 HA MET 112 HA MET 112 7.370 1.767 -16.641 943 HB2 MET 112 HB2 MET 112 6.952 3.140 -18.582 944 HB3 MET 112 HB1 MET 112 8.015 2.158 -19.585 945 HG2 MET 112 HG2 MET 112 6.445 0.355 -19.650 946 HG3 MET 112 HG1 MET 112 5.463 1.075 -18.379 947 HE1 MET 112 HE1 MET 112 4.910 3.986 -19.062 948 HE2 MET 112 HE2 MET 112 3.657 2.794 -18.710 949 HE3 MET 112 HE3 MET 112 3.505 3.847 -20.119 950 H THR 113 HN THR 113 7.009 -0.251 -16.140 951 HA THR 113 HA THR 113 8.707 -2.367 -17.286 952 HB THR 113 HB THR 113 7.346 -2.503 -14.574 953 HG1 THR 113 HG1 THR 113 8.909 -0.709 -14.829 954 HG21 THR 113 HG21 THR 113 8.113 -4.677 -15.493 955 HG22 THR 113 HG22 THR 113 9.081 -4.198 -14.096 956 HG23 THR 113 HG23 THR 113 9.731 -4.008 -15.725 957 H GLY 114 HN GLY 114 7.689 -4.284 -18.148 958 HA2 GLY 114 HA2 GLY 114 4.875 -4.686 -17.414 959 HA3 GLY 114 HA1 GLY 114 5.559 -5.041 -18.988 960 H PHE 115 HN PHE 115 4.085 -7.063 -17.963 961 HA PHE 115 HA PHE 115 5.859 -9.121 -17.082 962 HB2 PHE 115 HB2 PHE 115 3.677 -8.198 -15.145 963 HB3 PHE 115 HB1 PHE 115 4.695 -9.608 -14.955 964 HD1 PHE 115 HD1 PHE 115 7.118 -9.327 -14.326 965 HD2 PHE 115 HD2 PHE 115 4.414 -6.013 -14.464 966 HE1 PHE 115 HE1 PHE 115 8.657 -8.006 -12.935 967 HE2 PHE 115 HE2 PHE 115 5.960 -4.704 -13.058 968 HZ PHE 115 HZ PHE 115 8.080 -5.701 -12.295 969 H SER 116 HN SER 116 4.823 -10.996 -18.179 970 HA SER 116 HA SER 116 2.070 -11.435 -17.246 971 HB2 SER 116 HB2 SER 116 2.098 -10.493 -19.578 972 HB3 SER 116 HB1 SER 116 3.083 -11.855 -20.107 973 HG SER 116 HG SER 116 1.085 -12.508 -20.576 974 H LYS 117 HN LYS 117 1.273 -13.604 -17.803 975 HA LYS 117 HA LYS 117 3.090 -15.777 -17.095 976 HB2 LYS 117 HB2 LYS 117 0.068 -15.597 -17.427 977 HB3 LYS 117 HB1 LYS 117 0.907 -17.079 -16.982 978 HG2 LYS 117 HG2 LYS 117 1.070 -14.521 -15.349 979 HG3 LYS 117 HG1 LYS 117 -0.140 -15.775 -15.062 980 HD2 LYS 117 HD2 LYS 117 2.884 -16.151 -14.920 981 HD3 LYS 117 HD1 LYS 117 1.806 -15.989 -13.531 982 HE2 LYS 117 HE2 LYS 117 0.622 -18.074 -14.264 983 HE3 LYS 117 HE1 LYS 117 1.801 -18.247 -15.566 984 HZ1 LYS 117 HZ1 LYS 117 3.540 -18.451 -13.934 985 HZ2 LYS 117 HZ2 LYS 117 2.339 -19.602 -13.644 986 HZ3 LYS 117 HZ3 LYS 117 2.435 -18.224 -12.671 987 H THR 118 HN THR 118 1.878 -14.317 -19.863 988 HA THR 118 HA THR 118 2.368 -16.676 -21.585 989 HB THR 118 HB THR 118 0.760 -15.551 -23.230 990 HG1 THR 118 HG1 THR 118 0.092 -13.623 -22.694 991 HG21 THR 118 HG21 THR 118 -1.318 -16.331 -22.151 992 HG22 THR 118 HG22 THR 118 -0.496 -16.398 -20.590 993 HG23 THR 118 HG23 THR 118 -0.010 -17.488 -21.891 994 H THR 119 HN THR 119 3.448 -16.208 -23.540 995 HA THR 119 HA THR 119 5.302 -14.095 -23.690 996 HB THR 119 HB THR 119 5.630 -16.201 -24.916 997 HG1 THR 119 HG1 THR 119 5.397 -14.336 -27.001 998 HG21 THR 119 HG21 THR 119 3.328 -15.363 -26.717 999 HG22 THR 119 HG22 THR 119 3.304 -16.712 -25.581 1000 HG23 THR 119 HG23 THR 119 4.387 -16.753 -26.974 1001 H PHE 120 HN PHE 120 5.274 -12.162 -24.987 1002 HA PHE 120 HA PHE 120 2.633 -10.946 -25.080 1003 HB2 PHE 120 HB2 PHE 120 5.272 -9.622 -25.773 1004 HB3 PHE 120 HB1 PHE 120 3.769 -8.821 -25.394 1005 HD1 PHE 120 HD2 PHE 120 3.976 -11.339 -22.960 1006 HD2 PHE 120 HD1 PHE 120 5.848 -7.661 -24.068 1007 HE1 PHE 120 HE2 PHE 120 4.777 -11.037 -20.659 1008 HE2 PHE 120 HE1 PHE 120 6.638 -7.374 -21.760 1009 HZ PHE 120 HZ PHE 120 6.104 -9.057 -20.054 Start of MODEL 19 1 H MET 1 HT1 MET 1 -3.687 -21.885 15.967 2 HA MET 1 HA MET 1 -4.494 -19.664 16.331 3 HB2 MET 1 HB2 MET 1 -4.364 -19.772 18.839 4 HB3 MET 1 HB1 MET 1 -2.614 -19.684 18.740 5 HG2 MET 1 HG2 MET 1 -2.803 -17.429 17.745 6 HG3 MET 1 HG1 MET 1 -4.559 -17.525 17.900 7 HE1 MET 1 HE1 MET 1 -3.547 -14.934 20.718 8 HE2 MET 1 HE2 MET 1 -4.531 -15.191 19.276 9 HE3 MET 1 HE3 MET 1 -2.772 -15.112 19.145 10 H LYS 2 HN LYS 2 -3.520 -19.366 14.355 11 HA LYS 2 HA LYS 2 -0.822 -18.399 14.140 12 HB2 LYS 2 HB2 LYS 2 -0.458 -20.870 14.286 13 HB3 LYS 2 HB1 LYS 2 -1.499 -21.109 12.892 14 HG2 LYS 2 HG2 LYS 2 0.099 -19.961 11.445 15 HG3 LYS 2 HG1 LYS 2 1.107 -19.558 12.840 16 HD2 LYS 2 HD2 LYS 2 1.461 -22.016 13.228 17 HD3 LYS 2 HD1 LYS 2 0.549 -22.345 11.751 18 HE2 LYS 2 HE2 LYS 2 2.233 -21.203 10.410 19 HE3 LYS 2 HE1 LYS 2 3.095 -20.685 11.860 20 HZ1 LYS 2 HZ1 LYS 2 4.141 -22.600 10.804 21 HZ2 LYS 2 HZ2 LYS 2 2.725 -23.504 11.015 22 HZ3 LYS 2 HZ3 LYS 2 3.597 -22.971 12.359 23 H GLU 3 HN GLU 3 -3.313 -20.028 12.161 24 HA GLU 3 HA GLU 3 -4.527 -19.521 10.365 25 HB2 GLU 3 HB2 GLU 3 -4.377 -16.716 11.527 26 HB3 GLU 3 HB1 GLU 3 -5.424 -17.149 10.186 27 HG2 GLU 3 HG2 GLU 3 -6.739 -17.101 12.184 28 HG3 GLU 3 HG1 GLU 3 -6.603 -18.776 11.654 29 H VAL 4 HN VAL 4 -2.996 -16.310 9.972 30 HA VAL 4 HA VAL 4 -1.868 -17.174 7.371 31 HB VAL 4 HB VAL 4 -3.490 -14.607 7.557 32 HG11 VAL 4 HG11 VAL 4 -3.699 -14.863 5.124 33 HG12 VAL 4 HG12 VAL 4 -2.795 -16.379 5.195 34 HG13 VAL 4 HG13 VAL 4 -2.010 -14.860 5.634 35 HG21 VAL 4 HG21 VAL 4 -5.483 -15.730 6.607 36 HG22 VAL 4 HG22 VAL 4 -5.104 -16.309 8.230 37 HG23 VAL 4 HG23 VAL 4 -4.698 -17.300 6.828 38 H GLU 5 HN GLU 5 0.096 -16.071 6.831 39 HA GLU 5 HA GLU 5 1.543 -14.706 8.698 40 HB2 GLU 5 HB2 GLU 5 3.202 -14.325 7.020 41 HB3 GLU 5 HB1 GLU 5 2.419 -15.852 6.637 42 HG2 GLU 5 HG2 GLU 5 1.966 -13.192 5.242 43 HG3 GLU 5 HG1 GLU 5 2.906 -14.544 4.625 44 H LYS 6 HN LYS 6 -0.621 -13.173 6.332 45 HA LYS 6 HA LYS 6 0.067 -10.470 6.614 46 HB2 LYS 6 HB2 LYS 6 -2.272 -9.922 6.050 47 HB3 LYS 6 HB1 LYS 6 -1.699 -11.258 5.054 48 HG2 LYS 6 HG2 LYS 6 -2.913 -12.856 6.464 49 HG3 LYS 6 HG1 LYS 6 -3.453 -11.549 7.519 50 HD2 LYS 6 HD2 LYS 6 -4.723 -10.558 5.639 51 HD3 LYS 6 HD1 LYS 6 -4.176 -11.859 4.578 52 HE2 LYS 6 HE2 LYS 6 -5.362 -13.507 5.968 53 HE3 LYS 6 HE1 LYS 6 -5.879 -12.229 7.069 54 HZ1 LYS 6 HZ1 LYS 6 -7.172 -11.260 5.320 55 HZ2 LYS 6 HZ2 LYS 6 -7.592 -12.893 5.467 56 HZ3 LYS 6 HZ3 LYS 6 -6.597 -12.385 4.200 57 H ASN 7 HN ASN 7 -1.831 -12.547 8.752 58 HA ASN 7 HA ASN 7 -2.573 -10.655 10.720 59 HB2 ASN 7 HB2 ASN 7 -1.932 -13.587 11.256 60 HB3 ASN 7 HB1 ASN 7 -2.882 -12.522 12.282 61 HD21 ASN 7 HD21 ASN 7 -3.656 -15.044 11.135 62 HD22 ASN 7 HD22 ASN 7 -5.050 -14.739 10.161 63 H GLU 8 HN GLU 8 0.547 -12.394 10.194 64 HA GLU 8 HA GLU 8 1.600 -11.674 12.756 65 HB2 GLU 8 HB2 GLU 8 2.766 -13.037 10.314 66 HB3 GLU 8 HB1 GLU 8 3.810 -12.522 11.633 67 HG2 GLU 8 HG2 GLU 8 3.349 -14.802 11.980 68 HG3 GLU 8 HG1 GLU 8 2.441 -13.911 13.195 69 H ILE 9 HN ILE 9 2.017 -10.276 9.372 70 HA ILE 9 HA ILE 9 3.821 -8.328 10.165 71 HB ILE 9 HB ILE 9 1.676 -8.102 8.003 72 HG12 ILE 9 HG12 ILE 9 2.948 -10.163 7.615 73 HG13 ILE 9 HG11 ILE 9 3.435 -8.970 6.420 74 HG21 ILE 9 HG21 ILE 9 2.736 -5.946 8.505 75 HG22 ILE 9 HG22 ILE 9 3.220 -6.510 6.907 76 HG23 ILE 9 HG23 ILE 9 4.336 -6.649 8.267 77 HD11 ILE 9 HD11 ILE 9 5.344 -10.212 7.199 78 HD12 ILE 9 HD12 ILE 9 4.995 -9.798 8.877 79 HD13 ILE 9 HD13 ILE 9 5.490 -8.538 7.735 80 H LYS 10 HN LYS 10 0.288 -8.401 10.207 81 HA LYS 10 HA LYS 10 -0.259 -5.822 11.196 82 HB2 LYS 10 HB2 LYS 10 -2.005 -7.322 10.316 83 HB3 LYS 10 HB1 LYS 10 -1.731 -8.461 11.630 84 HG2 LYS 10 HG2 LYS 10 -2.491 -6.683 13.246 85 HG3 LYS 10 HG1 LYS 10 -2.892 -5.663 11.863 86 HD2 LYS 10 HD2 LYS 10 -4.106 -8.391 12.454 87 HD3 LYS 10 HD1 LYS 10 -4.875 -6.839 12.789 88 HE2 LYS 10 HE2 LYS 10 -4.959 -6.327 10.403 89 HE3 LYS 10 HE1 LYS 10 -4.088 -7.817 10.023 90 HZ1 LYS 10 HZ1 LYS 10 -5.926 -9.090 10.860 91 HZ2 LYS 10 HZ2 LYS 10 -6.489 -8.002 9.701 92 HZ3 LYS 10 HZ3 LYS 10 -6.744 -7.693 11.340 93 H ARG 11 HN ARG 11 0.951 -8.718 12.720 94 HA ARG 11 HA ARG 11 0.490 -7.973 15.464 95 HB2 ARG 11 HB2 ARG 11 0.556 -10.307 14.914 96 HB3 ARG 11 HB1 ARG 11 2.152 -10.169 14.197 97 HG2 ARG 11 HG2 ARG 11 3.209 -9.943 16.326 98 HG3 ARG 11 HG1 ARG 11 1.664 -9.661 17.141 99 HD2 ARG 11 HD2 ARG 11 2.518 -12.267 15.822 100 HD3 ARG 11 HD1 ARG 11 2.494 -11.940 17.556 101 HE ARG 11 HE ARG 11 0.061 -11.714 17.405 102 HH11 ARG 11 HH11 ARG 11 1.627 -13.534 14.857 103 HH12 ARG 11 HH12 ARG 11 0.150 -14.215 14.258 104 HH21 ARG 11 HH21 ARG 11 -1.874 -12.590 16.624 105 HH22 ARG 11 HH22 ARG 11 -1.847 -13.706 15.293 106 H LEU 12 HN LEU 12 3.492 -7.998 13.410 107 HA LEU 12 HA LEU 12 5.092 -6.795 15.431 108 HB2 LEU 12 HB2 LEU 12 6.794 -6.402 13.639 109 HB3 LEU 12 HB1 LEU 12 6.217 -8.047 13.769 110 HG LEU 12 HG LEU 12 4.585 -7.180 11.764 111 HD11 LEU 12 HD11 LEU 12 5.814 -5.808 10.160 112 HD12 LEU 12 HD12 LEU 12 7.119 -5.583 11.325 113 HD13 LEU 12 HD13 LEU 12 5.515 -4.918 11.654 114 HD21 LEU 12 HD21 LEU 12 5.970 -9.205 11.696 115 HD22 LEU 12 HD22 LEU 12 7.402 -8.230 11.336 116 HD23 LEU 12 HD23 LEU 12 6.067 -8.307 10.181 117 H SER 13 HN SER 13 3.735 -5.186 12.471 118 HA SER 13 HA SER 13 3.749 -2.572 13.081 119 HB2 SER 13 HB2 SER 13 1.154 -4.001 12.345 120 HB3 SER 13 HB1 SER 13 1.526 -2.296 12.069 121 HG SER 13 HG SER 13 2.145 -4.442 10.578 122 H ASP 14 HN ASP 14 1.789 -4.881 14.605 123 HA ASP 14 HA ASP 14 0.187 -3.129 16.313 124 HB2 ASP 14 HB2 ASP 14 -0.566 -5.497 15.841 125 HB3 ASP 14 HB1 ASP 14 0.695 -6.070 16.924 126 H ARG 15 HN ARG 15 3.164 -4.925 16.735 127 HA ARG 15 HA ARG 15 3.695 -4.321 19.446 128 HB2 ARG 15 HB2 ARG 15 4.806 -6.195 18.355 129 HB3 ARG 15 HB1 ARG 15 5.610 -5.114 17.223 130 HG2 ARG 15 HG2 ARG 15 7.148 -5.907 18.951 131 HG3 ARG 15 HG1 ARG 15 6.958 -4.157 19.000 132 HD2 ARG 15 HD2 ARG 15 5.373 -4.426 20.918 133 HD3 ARG 15 HD1 ARG 15 5.693 -6.164 20.896 134 HE ARG 15 HE ARG 15 8.125 -5.468 21.237 135 HH11 ARG 15 HH11 ARG 15 5.460 -3.620 22.590 136 HH12 ARG 15 HH12 ARG 15 6.403 -3.016 23.912 137 HH21 ARG 15 HH21 ARG 15 9.351 -4.629 22.962 138 HH22 ARG 15 HH22 ARG 15 8.597 -3.569 24.109 139 H LEU 16 HN LEU 16 5.244 -2.684 16.484 140 HA LEU 16 HA LEU 16 6.630 -0.804 18.094 141 HB2 LEU 16 HB2 LEU 16 6.948 -1.735 15.577 142 HB3 LEU 16 HB1 LEU 16 6.030 -0.308 15.172 143 HG LEU 16 HG LEU 16 8.455 0.062 14.910 144 HD11 LEU 16 HD11 LEU 16 7.377 1.724 17.198 145 HD12 LEU 16 HD12 LEU 16 7.119 2.025 15.478 146 HD13 LEU 16 HD13 LEU 16 8.742 2.136 16.155 147 HD21 LEU 16 HD21 LEU 16 9.261 -1.532 16.584 148 HD22 LEU 16 HD22 LEU 16 8.698 -0.479 17.885 149 HD23 LEU 16 HD23 LEU 16 9.989 0.052 16.807 150 H ASP 17 HN ASP 17 3.822 -0.585 16.068 151 HA ASP 17 HA ASP 17 2.803 1.963 16.654 152 HB2 ASP 17 HB2 ASP 17 1.562 0.446 15.113 153 HB3 ASP 17 HB1 ASP 17 0.957 -0.454 16.502 154 H ALA 18 HN ALA 18 2.572 -0.867 18.672 155 HA ALA 18 HA ALA 18 1.310 0.383 20.942 156 HB1 ALA 18 HB1 ALA 18 1.302 -2.069 20.681 157 HB2 ALA 18 HB2 ALA 18 1.946 -1.580 22.250 158 HB3 ALA 18 HB3 ALA 18 3.043 -2.105 20.969 159 H ILE 19 HN ILE 19 4.693 0.079 19.937 160 HA ILE 19 HA ILE 19 5.839 1.079 22.379 161 HB ILE 19 HB ILE 19 7.121 0.822 19.625 162 HG12 ILE 19 HG12 ILE 19 7.356 -0.812 22.200 163 HG13 ILE 19 HG11 ILE 19 6.636 -1.337 20.681 164 HG21 ILE 19 HG21 ILE 19 9.318 1.263 20.711 165 HG22 ILE 19 HG22 ILE 19 8.494 1.650 22.224 166 HG23 ILE 19 HG23 ILE 19 8.256 2.668 20.803 167 HD11 ILE 19 HD11 ILE 19 9.562 -0.777 21.185 168 HD12 ILE 19 HD12 ILE 19 8.871 -1.259 19.634 169 HD13 ILE 19 HD13 ILE 19 8.798 -2.356 21.011 170 H ARG 20 HN ARG 20 5.413 2.853 19.159 171 HA ARG 20 HA ARG 20 5.858 5.389 20.200 172 HB2 ARG 20 HB2 ARG 20 4.601 6.231 18.219 173 HB3 ARG 20 HB1 ARG 20 5.817 5.034 17.803 174 HG2 ARG 20 HG2 ARG 20 4.276 3.476 17.105 175 HG3 ARG 20 HG1 ARG 20 3.046 4.011 18.246 176 HD2 ARG 20 HD2 ARG 20 3.832 5.487 15.709 177 HD3 ARG 20 HD1 ARG 20 2.397 4.472 15.901 178 HE ARG 20 HE ARG 20 2.864 7.123 17.059 179 HH11 ARG 20 HH11 ARG 20 0.681 4.370 16.787 180 HH12 ARG 20 HH12 ARG 20 -0.635 5.204 17.547 181 HH21 ARG 20 HH21 ARG 20 1.131 8.166 18.072 182 HH22 ARG 20 HH22 ARG 20 -0.393 7.351 18.262 183 H HIS 21 HN HIS 21 3.010 3.456 20.257 184 HA HIS 21 HA HIS 21 1.144 5.355 21.376 185 HB2 HIS 21 HB2 HIS 21 0.518 3.029 20.562 186 HB3 HIS 21 HB1 HIS 21 1.169 2.385 22.056 187 HD1 HIS 21 HD1 HIS 21 -0.415 2.284 23.988 188 HD2 HIS 21 HD2 HIS 21 -1.779 4.795 20.982 189 HE1 HIS 21 HE1 HIS 21 -2.733 2.943 24.672 190 HE2 HIS 21 HE2 HIS 21 -3.505 4.538 22.885 191 H GLN 22 HN GLN 22 3.442 3.184 22.728 192 HA GLN 22 HA GLN 22 3.044 3.642 25.501 193 HB2 GLN 22 HB2 GLN 22 4.081 1.617 24.799 194 HB3 GLN 22 HB1 GLN 22 5.342 2.466 23.919 195 HG2 GLN 22 HG2 GLN 22 6.335 3.227 26.001 196 HG3 GLN 22 HG1 GLN 22 5.031 2.467 26.926 197 HE21 GLN 22 HE21 GLN 22 6.657 1.113 24.086 198 HE22 GLN 22 HE22 GLN 22 7.377 -0.215 24.913 199 H GLN 23 HN GLN 23 5.320 5.129 23.160 200 HA GLN 23 HA GLN 23 6.563 6.765 25.249 201 HB2 GLN 23 HB2 GLN 23 7.135 6.447 22.273 202 HB3 GLN 23 HB1 GLN 23 8.004 7.580 23.311 203 HG2 GLN 23 HG2 GLN 23 8.818 5.717 24.685 204 HG3 GLN 23 HG1 GLN 23 7.912 4.571 23.699 205 HE21 GLN 23 HE21 GLN 23 10.842 4.858 24.253 206 HE22 GLN 23 HE22 GLN 23 11.593 4.901 22.700 207 H ALA 24 HN ALA 24 4.349 7.075 22.646 208 HA ALA 24 HA ALA 24 3.504 9.722 22.949 209 HB1 ALA 24 HB1 ALA 24 2.285 8.272 21.400 210 HB2 ALA 24 HB2 ALA 24 1.169 9.129 22.464 211 HB3 ALA 24 HB3 ALA 24 1.539 7.429 22.758 212 H ASP 25 HN ASP 25 2.822 6.989 25.109 213 HA ASP 25 HA ASP 25 1.523 8.717 27.099 214 HB2 ASP 25 HB2 ASP 25 2.073 5.729 27.026 215 HB3 ASP 25 HB1 ASP 25 1.389 6.533 28.430 216 H LEU 26 HN LEU 26 4.733 7.664 26.402 217 HA LEU 26 HA LEU 26 5.645 8.402 29.140 218 HB2 LEU 26 HB2 LEU 26 7.053 6.562 27.177 219 HB3 LEU 26 HB1 LEU 26 7.676 7.035 28.753 220 HG LEU 26 HG LEU 26 5.247 5.295 28.198 221 HD11 LEU 26 HD11 LEU 26 6.506 3.551 29.355 222 HD12 LEU 26 HD12 LEU 26 7.880 4.646 29.543 223 HD13 LEU 26 HD13 LEU 26 7.359 4.142 27.930 224 HD21 LEU 26 HD21 LEU 26 5.008 5.057 30.644 225 HD22 LEU 26 HD22 LEU 26 4.710 6.704 30.102 226 HD23 LEU 26 HD23 LEU 26 6.239 6.304 30.894 227 H SER 27 HN SER 27 7.765 9.377 29.321 228 HA SER 27 HA SER 27 8.818 10.690 26.902 229 HB2 SER 27 HB2 SER 27 7.426 12.398 27.978 230 HB3 SER 27 HB1 SER 27 8.227 12.127 29.518 231 HG SER 27 HG SER 27 9.417 13.136 27.149 232 H LEU 28 HN LEU 28 11.016 11.319 27.079 233 HA LEU 28 HA LEU 28 12.637 9.386 28.343 234 HB2 LEU 28 HB2 LEU 28 14.504 10.364 27.239 235 HB3 LEU 28 HB1 LEU 28 13.151 10.372 26.147 236 HG LEU 28 HG LEU 28 14.309 12.346 25.684 237 HD11 LEU 28 HD11 LEU 28 12.076 13.246 27.490 238 HD12 LEU 28 HD12 LEU 28 11.964 12.819 25.782 239 HD13 LEU 28 HD13 LEU 28 12.895 14.229 26.271 240 HD21 LEU 28 HD21 LEU 28 15.110 13.993 27.313 241 HD22 LEU 28 HD22 LEU 28 15.838 12.403 27.535 242 HD23 LEU 28 HD23 LEU 28 14.564 12.946 28.630 243 H VAL 29 HN VAL 29 11.771 12.656 29.274 244 HA VAL 29 HA VAL 29 13.883 13.073 31.182 245 HB VAL 29 HB VAL 29 11.206 14.547 31.049 246 HG11 VAL 29 HG11 VAL 29 13.884 15.451 32.197 247 HG12 VAL 29 HG12 VAL 29 12.455 14.999 33.129 248 HG13 VAL 29 HG13 VAL 29 12.416 16.434 32.107 249 HG21 VAL 29 HG21 VAL 29 12.254 14.651 28.848 250 HG22 VAL 29 HG22 VAL 29 13.776 15.189 29.556 251 HG23 VAL 29 HG23 VAL 29 12.353 16.232 29.625 252 H GLU 30 HN GLU 30 10.706 11.620 31.314 253 HA GLU 30 HA GLU 30 10.722 11.586 34.277 254 HB2 GLU 30 HB2 GLU 30 8.276 11.034 34.053 255 HB3 GLU 30 HB1 GLU 30 8.748 12.606 33.438 256 HG2 GLU 30 HG2 GLU 30 7.486 12.059 31.649 257 HG3 GLU 30 HG1 GLU 30 8.905 11.154 31.141 258 H ALA 31 HN ALA 31 11.247 9.524 31.606 259 HA ALA 31 HA ALA 31 11.612 7.268 33.456 260 HB1 ALA 31 HB1 ALA 31 9.395 6.897 32.403 261 HB2 ALA 31 HB2 ALA 31 10.563 5.675 31.903 262 HB3 ALA 31 HB3 ALA 31 10.144 6.993 30.808 263 H ALA 32 HN ALA 32 13.909 8.161 33.137 264 HA ALA 32 HA ALA 32 15.285 8.264 30.815 265 HB1 ALA 32 HB1 ALA 32 17.321 8.008 32.138 266 HB2 ALA 32 HB2 ALA 32 16.385 7.335 33.473 267 HB3 ALA 32 HB3 ALA 32 16.141 9.014 32.992 268 H ASP 33 HN ASP 33 16.299 5.460 32.832 269 HA ASP 33 HA ASP 33 17.200 3.885 30.796 270 HB2 ASP 33 HB2 ASP 33 17.681 3.508 33.199 271 HB3 ASP 33 HB1 ASP 33 16.044 2.915 33.447 272 H LYS 34 HN LYS 34 13.902 3.975 32.035 273 HA LYS 34 HA LYS 34 12.901 1.625 30.861 274 HB2 LYS 34 HB2 LYS 34 11.829 3.330 32.598 275 HB3 LYS 34 HB1 LYS 34 11.139 4.065 31.161 276 HG2 LYS 34 HG2 LYS 34 10.718 1.185 32.046 277 HG3 LYS 34 HG1 LYS 34 9.579 2.509 32.302 278 HD2 LYS 34 HD2 LYS 34 9.399 2.755 29.807 279 HD3 LYS 34 HD1 LYS 34 10.442 1.339 29.625 280 HE2 LYS 34 HE2 LYS 34 8.036 0.779 29.385 281 HE3 LYS 34 HE1 LYS 34 8.777 -0.068 30.744 282 HZ1 LYS 34 HZ1 LYS 34 7.776 1.438 32.264 283 HZ2 LYS 34 HZ2 LYS 34 6.560 0.911 31.211 284 HZ3 LYS 34 HZ3 LYS 34 7.233 2.451 31.028 285 H TYR 35 HN TYR 35 12.491 4.937 29.703 286 HA TYR 35 HA TYR 35 11.683 4.482 27.057 287 HB2 TYR 35 HB2 TYR 35 11.635 6.692 28.190 288 HB3 TYR 35 HB1 TYR 35 13.381 6.788 28.070 289 HD1 TYR 35 HD2 TYR 35 14.456 7.148 25.794 290 HD2 TYR 35 HD1 TYR 35 10.211 7.322 26.317 291 HE1 TYR 35 HE2 TYR 35 14.243 8.366 23.672 292 HE2 TYR 35 HE1 TYR 35 10.012 8.541 24.192 293 HH TYR 35 HH TYR 35 11.451 10.002 22.768 294 H ALA 36 HN ALA 36 14.916 4.528 28.413 295 HA ALA 36 HA ALA 36 16.427 4.535 26.036 296 HB1 ALA 36 HB1 ALA 36 17.417 5.019 28.241 297 HB2 ALA 36 HB2 ALA 36 18.305 3.748 27.402 298 HB3 ALA 36 HB3 ALA 36 17.200 3.335 28.716 299 H GLU 37 HN GLU 37 15.903 1.627 28.092 300 HA GLU 37 HA GLU 37 16.053 -0.422 26.455 301 HB2 GLU 37 HB2 GLU 37 13.620 -0.054 28.229 302 HB3 GLU 37 HB1 GLU 37 14.226 -1.592 27.612 303 HG2 GLU 37 HG2 GLU 37 15.520 0.240 29.644 304 HG3 GLU 37 HG1 GLU 37 14.904 -1.379 29.895 305 H LEU 38 HN LEU 38 13.093 1.618 26.427 306 HA LEU 38 HA LEU 38 11.698 0.157 24.441 307 HB2 LEU 38 HB2 LEU 38 11.497 3.171 24.828 308 HB3 LEU 38 HB1 LEU 38 10.286 2.116 24.113 309 HG LEU 38 HG LEU 38 11.148 2.166 27.017 310 HD11 LEU 38 HD11 LEU 38 8.541 3.004 25.734 311 HD12 LEU 38 HD12 LEU 38 9.768 4.068 26.426 312 HD13 LEU 38 HD13 LEU 38 8.880 2.963 27.470 313 HD21 LEU 38 HD21 LEU 38 9.115 0.353 25.693 314 HD22 LEU 38 HD22 LEU 38 9.377 0.508 27.433 315 HD23 LEU 38 HD23 LEU 38 10.657 -0.131 26.406 316 H GLU 39 HN GLU 39 14.195 2.480 24.211 317 HA GLU 39 HA GLU 39 14.193 2.865 21.353 318 HB2 GLU 39 HB2 GLU 39 16.325 3.438 23.443 319 HB3 GLU 39 HB1 GLU 39 16.548 3.786 21.730 320 HG2 GLU 39 HG2 GLU 39 14.408 4.964 23.541 321 HG3 GLU 39 HG1 GLU 39 15.858 5.791 22.964 322 H LYS 40 HN LYS 40 16.396 0.933 23.460 323 HA LYS 40 HA LYS 40 17.728 -0.537 21.548 324 HB2 LYS 40 HB2 LYS 40 16.742 -1.663 24.199 325 HB3 LYS 40 HB1 LYS 40 18.134 -2.232 23.275 326 HG2 LYS 40 HG2 LYS 40 19.278 -0.079 23.683 327 HG3 LYS 40 HG1 LYS 40 17.877 0.495 24.590 328 HD2 LYS 40 HD2 LYS 40 18.192 -1.268 26.269 329 HD3 LYS 40 HD1 LYS 40 19.560 -1.923 25.360 330 HE2 LYS 40 HE2 LYS 40 20.826 0.145 25.748 331 HE3 LYS 40 HE1 LYS 40 19.448 0.861 26.585 332 HZ1 LYS 40 HZ1 LYS 40 20.982 -1.517 27.473 333 HZ2 LYS 40 HZ2 LYS 40 19.635 -0.879 28.264 334 HZ3 LYS 40 HZ3 LYS 40 21.056 0.027 28.149 335 H GLU 41 HN GLU 41 14.791 -1.478 23.098 336 HA GLU 41 HA GLU 41 14.136 -3.888 21.839 337 HB2 GLU 41 HB2 GLU 41 12.039 -1.876 22.773 338 HB3 GLU 41 HB1 GLU 41 11.799 -3.604 22.528 339 HG2 GLU 41 HG2 GLU 41 13.265 -2.188 24.748 340 HG3 GLU 41 HG1 GLU 41 11.950 -3.349 24.859 341 H LYS 42 HN LYS 42 12.930 -0.669 21.086 342 HA LYS 42 HA LYS 42 11.740 -1.073 18.610 343 HB2 LYS 42 HB2 LYS 42 11.718 1.091 19.842 344 HB3 LYS 42 HB1 LYS 42 13.411 1.338 19.430 345 HG2 LYS 42 HG2 LYS 42 12.758 1.367 16.997 346 HG3 LYS 42 HG1 LYS 42 11.067 1.269 17.497 347 HD2 LYS 42 HD2 LYS 42 13.015 3.485 18.180 348 HD3 LYS 42 HD1 LYS 42 11.707 3.588 17.000 349 HE2 LYS 42 HE2 LYS 42 10.050 3.298 18.801 350 HE3 LYS 42 HE1 LYS 42 11.343 3.159 19.993 351 HZ1 LYS 42 HZ1 LYS 42 11.963 5.394 19.636 352 HZ2 LYS 42 HZ2 LYS 42 10.284 5.386 19.829 353 HZ3 LYS 42 HZ3 LYS 42 10.955 5.548 18.289 354 H ALA 43 HN ALA 43 15.218 -0.303 19.222 355 HA ALA 43 HA ALA 43 16.061 -0.017 16.616 356 HB1 ALA 43 HB1 ALA 43 17.345 0.774 18.562 357 HB2 ALA 43 HB2 ALA 43 18.349 -0.225 17.507 358 HB3 ALA 43 HB3 ALA 43 17.708 -0.891 19.013 359 H THR 44 HN THR 44 16.635 -2.866 18.653 360 HA THR 44 HA THR 44 17.408 -4.784 16.897 361 HB THR 44 HB THR 44 15.557 -5.164 19.284 362 HG1 THR 44 HG1 THR 44 17.244 -4.274 20.197 363 HG21 THR 44 HG21 THR 44 16.585 -7.424 19.500 364 HG22 THR 44 HG22 THR 44 17.493 -7.148 18.009 365 HG23 THR 44 HG23 THR 44 15.731 -7.255 17.973 366 H LEU 45 HN LEU 45 14.052 -3.956 17.739 367 HA LEU 45 HA LEU 45 12.718 -5.819 16.135 368 HB2 LEU 45 HB2 LEU 45 11.873 -3.024 16.926 369 HB3 LEU 45 HB1 LEU 45 10.894 -3.976 15.820 370 HG LEU 45 HG LEU 45 11.572 -4.793 18.663 371 HD11 LEU 45 HD11 LEU 45 9.214 -4.372 19.148 372 HD12 LEU 45 HD12 LEU 45 8.978 -3.762 17.508 373 HD13 LEU 45 HD13 LEU 45 10.041 -2.906 18.628 374 HD21 LEU 45 HD21 LEU 45 9.786 -6.152 16.617 375 HD22 LEU 45 HD22 LEU 45 9.951 -6.621 18.311 376 HD23 LEU 45 HD23 LEU 45 11.332 -6.759 17.226 377 H GLU 46 HN GLU 46 13.432 -2.456 15.174 378 HA GLU 46 HA GLU 46 13.013 -2.545 12.484 379 HB2 GLU 46 HB2 GLU 46 15.366 -1.138 13.801 380 HB3 GLU 46 HB1 GLU 46 14.624 -0.705 12.268 381 HG2 GLU 46 HG2 GLU 46 12.596 0.016 13.418 382 HG3 GLU 46 HG1 GLU 46 13.227 -0.530 14.965 383 H ALA 47 HN ALA 47 16.234 -2.857 13.784 384 HA ALA 47 HA ALA 47 17.874 -3.772 11.863 385 HB1 ALA 47 HB1 ALA 47 17.885 -4.918 14.671 386 HB2 ALA 47 HB2 ALA 47 18.606 -3.387 14.168 387 HB3 ALA 47 HB3 ALA 47 19.254 -4.906 13.547 388 H GLU 48 HN GLU 48 16.472 -6.257 13.925 389 HA GLU 48 HA GLU 48 16.503 -8.591 12.550 390 HB2 GLU 48 HB2 GLU 48 15.580 -8.428 14.808 391 HB3 GLU 48 HB1 GLU 48 14.239 -7.447 14.245 392 HG2 GLU 48 HG2 GLU 48 13.278 -9.519 14.660 393 HG3 GLU 48 HG1 GLU 48 13.485 -9.513 12.916 394 H ILE 49 HN ILE 49 13.626 -6.517 12.432 395 HA ILE 49 HA ILE 49 12.419 -7.985 10.277 396 HB ILE 49 HB ILE 49 10.559 -6.457 10.248 397 HG12 ILE 49 HG12 ILE 49 12.308 -4.503 11.807 398 HG13 ILE 49 HG11 ILE 49 11.738 -4.294 10.160 399 HG21 ILE 49 HG21 ILE 49 10.629 -7.950 12.201 400 HG22 ILE 49 HG22 ILE 49 9.850 -6.423 12.617 401 HG23 ILE 49 HG23 ILE 49 11.515 -6.731 13.120 402 HD11 ILE 49 HD11 ILE 49 10.547 -2.895 11.732 403 HD12 ILE 49 HD12 ILE 49 10.016 -4.314 12.633 404 HD13 ILE 49 HD13 ILE 49 9.461 -4.059 10.976 405 H ALA 50 HN ALA 50 14.878 -5.790 10.177 406 HA ALA 50 HA ALA 50 14.382 -4.716 7.500 407 HB1 ALA 50 HB1 ALA 50 16.496 -3.485 7.820 408 HB2 ALA 50 HB2 ALA 50 16.765 -4.336 9.347 409 HB3 ALA 50 HB3 ALA 50 15.396 -3.238 9.181 410 H ARG 51 HN ARG 51 16.945 -6.658 9.106 411 HA ARG 51 HA ARG 51 18.177 -7.887 6.999 412 HB2 ARG 51 HB2 ARG 51 18.779 -8.145 9.434 413 HB3 ARG 51 HB1 ARG 51 17.400 -9.215 9.640 414 HG2 ARG 51 HG2 ARG 51 19.362 -10.584 9.471 415 HG3 ARG 51 HG1 ARG 51 18.453 -10.789 7.971 416 HD2 ARG 51 HD2 ARG 51 19.963 -9.157 6.863 417 HD3 ARG 51 HD1 ARG 51 20.880 -9.015 8.367 418 HE ARG 51 HE ARG 51 20.911 -11.692 7.811 419 HH11 ARG 51 HH11 ARG 51 21.867 -8.844 5.988 420 HH12 ARG 51 HH12 ARG 51 23.146 -9.664 5.158 421 HH21 ARG 51 HH21 ARG 51 22.606 -12.746 6.720 422 HH22 ARG 51 HH22 ARG 51 23.569 -11.872 5.570 423 H LEU 52 HN LEU 52 15.342 -8.990 8.693 424 HA LEU 52 HA LEU 52 14.496 -11.134 7.159 425 HB2 LEU 52 HB2 LEU 52 13.176 -9.316 9.126 426 HB3 LEU 52 HB1 LEU 52 12.074 -10.149 8.053 427 HG LEU 52 HG LEU 52 12.381 -11.322 10.225 428 HD11 LEU 52 HD11 LEU 52 13.403 -12.902 7.849 429 HD12 LEU 52 HD12 LEU 52 11.711 -12.600 8.253 430 HD13 LEU 52 HD13 LEU 52 12.710 -13.571 9.329 431 HD21 LEU 52 HD21 LEU 52 14.478 -12.486 10.751 432 HD22 LEU 52 HD22 LEU 52 14.723 -10.745 10.677 433 HD23 LEU 52 HD23 LEU 52 15.254 -11.763 9.337 434 H ARG 53 HN ARG 53 13.275 -7.715 6.868 435 HA ARG 53 HA ARG 53 12.240 -8.211 4.267 436 HB2 ARG 53 HB2 ARG 53 12.589 -5.653 5.821 437 HB3 ARG 53 HB1 ARG 53 11.790 -5.729 4.250 438 HG2 ARG 53 HG2 ARG 53 10.070 -7.214 5.168 439 HG3 ARG 53 HG1 ARG 53 10.878 -7.232 6.737 440 HD2 ARG 53 HD2 ARG 53 10.533 -4.735 6.839 441 HD3 ARG 53 HD1 ARG 53 9.544 -4.862 5.381 442 HE ARG 53 HE ARG 53 8.785 -5.475 8.057 443 HH11 ARG 53 HH11 ARG 53 8.150 -6.465 4.737 444 HH12 ARG 53 HH12 ARG 53 6.584 -7.100 5.105 445 HH21 ARG 53 HH21 ARG 53 6.732 -6.277 8.509 446 HH22 ARG 53 HH22 ARG 53 5.772 -6.982 7.252 447 H GLU 54 HN GLU 54 15.503 -7.955 4.893 448 HA GLU 54 HA GLU 54 15.936 -6.809 2.200 449 HB2 GLU 54 HB2 GLU 54 18.217 -6.740 2.577 450 HB3 GLU 54 HB1 GLU 54 17.610 -6.516 4.209 451 HG2 GLU 54 HG2 GLU 54 18.070 -8.928 4.656 452 HG3 GLU 54 HG1 GLU 54 18.740 -9.071 3.032 453 H VAL 55 HN VAL 55 16.318 -9.954 3.865 454 HA VAL 55 HA VAL 55 16.189 -11.688 1.704 455 HB VAL 55 HB VAL 55 14.437 -12.049 4.186 456 HG11 VAL 55 HG11 VAL 55 14.656 -14.471 3.771 457 HG12 VAL 55 HG12 VAL 55 15.629 -14.153 2.332 458 HG13 VAL 55 HG13 VAL 55 13.937 -13.662 2.377 459 HG21 VAL 55 HG21 VAL 55 16.337 -13.261 5.216 460 HG22 VAL 55 HG22 VAL 55 16.745 -11.580 4.886 461 HG23 VAL 55 HG23 VAL 55 17.350 -12.851 3.828 462 H HIS 56 HN HIS 56 13.343 -10.553 3.318 463 HA HIS 56 HA HIS 56 11.491 -10.697 1.136 464 HB2 HIS 56 HB2 HIS 56 11.215 -9.513 3.909 465 HB3 HIS 56 HB1 HIS 56 9.927 -9.368 2.726 466 HD1 HIS 56 HD1 HIS 56 8.693 -11.550 2.040 467 HD2 HIS 56 HD2 HIS 56 11.426 -12.013 5.143 468 HE1 HIS 56 HE1 HIS 56 8.115 -13.742 3.120 469 HE2 HIS 56 HE2 HIS 56 9.910 -14.083 4.855 470 H SER 57 HN SER 57 13.930 -8.653 1.062 471 HA SER 57 HA SER 57 12.379 -6.579 -0.353 472 HB2 SER 57 HB2 SER 57 14.444 -5.857 0.862 473 HB3 SER 57 HB1 SER 57 15.415 -6.930 -0.142 474 HG SER 57 HG SER 57 15.569 -5.105 -1.245 475 H GLN 58 HN GLN 58 14.724 -9.153 -0.806 476 HA GLN 58 HA GLN 58 14.552 -9.460 -3.634 477 HB2 GLN 58 HB2 GLN 58 15.256 -11.597 -1.562 478 HB3 GLN 58 HB1 GLN 58 15.787 -11.537 -3.242 479 HG2 GLN 58 HG2 GLN 58 17.302 -9.739 -2.801 480 HG3 GLN 58 HG1 GLN 58 16.558 -9.388 -1.243 481 HE21 GLN 58 HE21 GLN 58 18.421 -9.541 -0.076 482 HE22 GLN 58 HE22 GLN 58 19.258 -11.025 0.197 483 H LYS 59 HN LYS 59 12.564 -10.354 -0.962 484 HA LYS 59 HA LYS 59 10.624 -11.830 -2.623 485 HB2 LYS 59 HB2 LYS 59 12.109 -12.787 -0.218 486 HB3 LYS 59 HB1 LYS 59 10.387 -12.952 -0.026 487 HG2 LYS 59 HG2 LYS 59 11.157 -15.036 -0.846 488 HG3 LYS 59 HG1 LYS 59 10.349 -14.255 -2.200 489 HD2 LYS 59 HD2 LYS 59 12.395 -15.321 -2.973 490 HD3 LYS 59 HD1 LYS 59 12.555 -13.569 -3.113 491 HE2 LYS 59 HE2 LYS 59 13.862 -13.530 -1.000 492 HE3 LYS 59 HE1 LYS 59 13.721 -15.288 -0.891 493 HZ1 LYS 59 HZ1 LYS 59 15.070 -13.786 -3.068 494 HZ2 LYS 59 HZ2 LYS 59 14.937 -15.467 -2.966 495 HZ3 LYS 59 HZ3 LYS 59 15.834 -14.624 -1.815 496 H LEU 60 HN LEU 60 9.838 -9.397 -2.588 497 HA LEU 60 HA LEU 60 9.325 -7.901 -0.315 498 HB2 LEU 60 HB2 LEU 60 9.250 -7.251 -2.851 499 HB3 LEU 60 HB1 LEU 60 7.541 -7.623 -2.747 500 HG LEU 60 HG LEU 60 8.955 -5.438 -1.125 501 HD11 LEU 60 HD11 LEU 60 7.175 -5.120 -3.560 502 HD12 LEU 60 HD12 LEU 60 8.919 -4.870 -3.510 503 HD13 LEU 60 HD13 LEU 60 7.855 -3.809 -2.589 504 HD21 LEU 60 HD21 LEU 60 6.952 -6.254 0.058 505 HD22 LEU 60 HD22 LEU 60 5.970 -5.979 -1.382 506 HD23 LEU 60 HD23 LEU 60 6.709 -4.613 -0.539 507 H SER 61 HN SER 61 6.300 -8.645 -2.027 508 HA SER 61 HA SER 61 5.075 -10.313 -0.093 509 HB2 SER 61 HB2 SER 61 5.193 -8.211 1.309 510 HB3 SER 61 HB1 SER 61 4.205 -7.381 0.102 511 HG SER 61 HG SER 61 2.517 -8.255 0.994 512 H LYS 62 HN LYS 62 2.660 -10.478 -0.564 513 HA LYS 62 HA LYS 62 2.445 -11.900 -2.697 514 HB2 LYS 62 HB2 LYS 62 0.180 -10.111 -1.780 515 HB3 LYS 62 HB1 LYS 62 -0.024 -11.535 -2.804 516 HG2 LYS 62 HG2 LYS 62 0.864 -12.970 -1.011 517 HG3 LYS 62 HG1 LYS 62 1.114 -11.549 0.012 518 HD2 LYS 62 HD2 LYS 62 -1.350 -11.119 -0.050 519 HD3 LYS 62 HD1 LYS 62 -1.563 -12.598 -0.992 520 HE2 LYS 62 HE2 LYS 62 -2.079 -12.959 1.382 521 HE3 LYS 62 HE1 LYS 62 -0.676 -13.913 0.893 522 HZ1 LYS 62 HZ1 LYS 62 -0.472 -11.277 2.220 523 HZ2 LYS 62 HZ2 LYS 62 0.767 -12.392 1.962 524 HZ3 LYS 62 HZ3 LYS 62 -0.465 -12.744 3.053 525 H GLU 63 HN GLU 63 0.591 -8.923 -3.439 526 HA GLU 63 HA GLU 63 0.537 -8.602 -5.933 527 HB2 GLU 63 HB2 GLU 63 0.219 -6.736 -4.139 528 HB3 GLU 63 HB1 GLU 63 1.833 -6.210 -4.585 529 HG2 GLU 63 HG2 GLU 63 0.238 -4.867 -5.790 530 HG3 GLU 63 HG1 GLU 63 1.062 -5.924 -6.938 531 H ALA 64 HN ALA 64 3.582 -7.174 -4.679 532 HA ALA 64 HA ALA 64 4.874 -7.139 -7.225 533 HB1 ALA 64 HB1 ALA 64 6.874 -6.481 -5.906 534 HB2 ALA 64 HB2 ALA 64 5.994 -6.857 -4.420 535 HB3 ALA 64 HB3 ALA 64 5.436 -5.549 -5.458 536 H GLN 65 HN GLN 65 4.828 -9.321 -4.490 537 HA GLN 65 HA GLN 65 7.083 -10.939 -5.262 538 HB2 GLN 65 HB2 GLN 65 5.214 -10.956 -3.028 539 HB3 GLN 65 HB1 GLN 65 5.387 -12.578 -3.650 540 HG2 GLN 65 HG2 GLN 65 7.655 -10.793 -2.733 541 HG3 GLN 65 HG1 GLN 65 6.944 -12.119 -1.814 542 HE21 GLN 65 HE21 GLN 65 9.032 -11.279 -4.500 543 HE22 GLN 65 HE22 GLN 65 9.671 -12.862 -4.757 544 H LYS 66 HN LYS 66 3.798 -10.770 -6.368 545 HA LYS 66 HA LYS 66 3.655 -13.358 -7.530 546 HB2 LYS 66 HB2 LYS 66 1.556 -12.463 -6.861 547 HB3 LYS 66 HB1 LYS 66 1.909 -10.869 -7.516 548 HG2 LYS 66 HG2 LYS 66 1.701 -11.773 -9.801 549 HG3 LYS 66 HG1 LYS 66 1.304 -13.364 -9.141 550 HD2 LYS 66 HD2 LYS 66 -0.743 -12.444 -8.144 551 HD3 LYS 66 HD1 LYS 66 -0.314 -10.823 -8.699 552 HE2 LYS 66 HE2 LYS 66 -0.481 -11.563 -11.030 553 HE3 LYS 66 HE1 LYS 66 -0.859 -13.203 -10.500 554 HZ1 LYS 66 HZ1 LYS 66 -2.505 -10.811 -9.936 555 HZ2 LYS 66 HZ2 LYS 66 -2.878 -12.402 -9.519 556 HZ3 LYS 66 HZ3 LYS 66 -2.817 -11.943 -11.146 557 H LEU 67 HN LEU 67 4.030 -9.885 -8.771 558 HA LEU 67 HA LEU 67 4.608 -10.453 -11.323 559 HB2 LEU 67 HB2 LEU 67 5.884 -8.392 -9.492 560 HB3 LEU 67 HB1 LEU 67 5.905 -8.320 -11.246 561 HG LEU 67 HG LEU 67 3.424 -8.119 -9.478 562 HD11 LEU 67 HD11 LEU 67 4.794 -6.083 -9.410 563 HD12 LEU 67 HD12 LEU 67 3.267 -5.798 -10.240 564 HD13 LEU 67 HD13 LEU 67 4.754 -5.981 -11.174 565 HD21 LEU 67 HD21 LEU 67 2.155 -7.630 -11.533 566 HD22 LEU 67 HD22 LEU 67 2.842 -9.250 -11.578 567 HD23 LEU 67 HD23 LEU 67 3.590 -7.952 -12.513 568 H MET 68 HN MET 68 7.161 -10.067 -8.907 569 HA MET 68 HA MET 68 9.294 -11.314 -9.870 570 HB2 MET 68 HB2 MET 68 8.230 -11.731 -7.052 571 HB3 MET 68 HB1 MET 68 9.905 -11.982 -7.543 572 HG2 MET 68 HG2 MET 68 10.142 -9.640 -8.091 573 HG3 MET 68 HG1 MET 68 8.441 -9.339 -7.787 574 HE1 MET 68 HE1 MET 68 10.017 -7.296 -4.869 575 HE2 MET 68 HE2 MET 68 8.844 -7.285 -6.185 576 HE3 MET 68 HE3 MET 68 10.567 -7.405 -6.543 577 H LYS 69 HN LYS 69 6.471 -13.300 -8.719 578 HA LYS 69 HA LYS 69 7.861 -15.693 -9.848 579 HB2 LYS 69 HB2 LYS 69 6.248 -17.128 -8.783 580 HB3 LYS 69 HB1 LYS 69 6.826 -15.964 -7.602 581 HG2 LYS 69 HG2 LYS 69 4.767 -14.692 -7.768 582 HG3 LYS 69 HG1 LYS 69 4.195 -15.716 -9.084 583 HD2 LYS 69 HD2 LYS 69 4.143 -17.656 -7.536 584 HD3 LYS 69 HD1 LYS 69 4.692 -16.617 -6.219 585 HE2 LYS 69 HE2 LYS 69 2.622 -15.286 -6.406 586 HE3 LYS 69 HE1 LYS 69 2.084 -16.299 -7.749 587 HZ1 LYS 69 HZ1 LYS 69 2.555 -17.199 -4.960 588 HZ2 LYS 69 HZ2 LYS 69 2.109 -18.200 -6.241 589 HZ3 LYS 69 HZ3 LYS 69 1.052 -17.000 -5.710 590 H MET 70 HN MET 70 6.021 -13.424 -11.302 591 HA MET 70 HA MET 70 3.998 -14.800 -12.703 592 HB2 MET 70 HB2 MET 70 5.577 -12.307 -13.398 593 HB3 MET 70 HB1 MET 70 4.417 -12.969 -14.543 594 HG2 MET 70 HG2 MET 70 3.748 -12.115 -11.727 595 HG3 MET 70 HG1 MET 70 3.509 -11.119 -13.154 596 HE1 MET 70 HE1 MET 70 1.609 -11.251 -14.716 597 HE2 MET 70 HE2 MET 70 0.540 -12.638 -14.933 598 HE3 MET 70 HE3 MET 70 2.246 -12.765 -15.360 599 HA PRO 71 HA PRO 71 6.235 -17.372 -15.531 600 HB2 PRO 71 HB2 PRO 71 4.522 -17.516 -17.693 601 HB3 PRO 71 HB1 PRO 71 4.293 -18.409 -16.183 602 HG2 PRO 71 HG2 PRO 71 3.002 -15.862 -17.098 603 HG3 PRO 71 HG1 PRO 71 2.286 -17.234 -16.227 604 HD2 PRO 71 HD2 PRO 71 3.018 -14.895 -15.007 605 HD3 PRO 71 HD1 PRO 71 3.021 -16.458 -14.171 606 H PHE 72 HN PHE 72 4.872 -14.548 -17.453 607 HA PHE 72 HA PHE 72 7.315 -14.694 -19.092 608 HB2 PHE 72 HB2 PHE 72 4.504 -14.122 -20.148 609 HB3 PHE 72 HB1 PHE 72 5.987 -13.967 -21.085 610 HD1 PHE 72 HD2 PHE 72 3.573 -16.318 -19.616 611 HD2 PHE 72 HD1 PHE 72 7.181 -15.981 -21.891 612 HE1 PHE 72 HE2 PHE 72 3.368 -18.669 -20.288 613 HE2 PHE 72 HE1 PHE 72 6.964 -18.342 -22.560 614 HZ PHE 72 HZ PHE 72 5.064 -19.685 -21.759 615 H GLN 73 HN GLN 73 8.264 -12.684 -19.183 616 HA GLN 73 HA GLN 73 6.884 -10.192 -18.628 617 HB2 GLN 73 HB2 GLN 73 8.063 -9.582 -16.570 618 HB3 GLN 73 HB1 GLN 73 7.115 -11.041 -16.331 619 HG2 GLN 73 HG2 GLN 73 10.107 -11.081 -16.853 620 HG3 GLN 73 HG1 GLN 73 9.415 -10.972 -15.239 621 HE21 GLN 73 HE21 GLN 73 8.286 -12.760 -14.397 622 HE22 GLN 73 HE22 GLN 73 8.485 -14.353 -15.039 623 H ARG 74 HN ARG 74 8.406 -8.258 -18.428 624 HA ARG 74 HA ARG 74 11.147 -8.312 -19.013 625 HB2 ARG 74 HB2 ARG 74 11.269 -7.586 -21.328 626 HB3 ARG 74 HB1 ARG 74 10.344 -9.080 -21.291 627 HG2 ARG 74 HG2 ARG 74 8.242 -7.777 -21.512 628 HG3 ARG 74 HG1 ARG 74 9.176 -6.282 -21.562 629 HD2 ARG 74 HD2 ARG 74 10.365 -7.234 -23.612 630 HD3 ARG 74 HD1 ARG 74 9.159 -8.525 -23.601 631 HE ARG 74 HE ARG 74 8.377 -5.679 -23.791 632 HH11 ARG 74 HH11 ARG 74 8.167 -8.929 -25.119 633 HH12 ARG 74 HH12 ARG 74 7.113 -8.448 -26.409 634 HH21 ARG 74 HH21 ARG 74 7.021 -5.092 -25.507 635 HH22 ARG 74 HH22 ARG 74 6.474 -6.297 -26.627 636 H ALA 75 HN ALA 75 11.706 -6.004 -20.032 637 HA ALA 75 HA ALA 75 10.003 -3.832 -18.857 638 HB1 ALA 75 HB1 ALA 75 11.983 -2.348 -19.019 639 HB2 ALA 75 HB2 ALA 75 12.937 -3.687 -19.665 640 HB3 ALA 75 HB3 ALA 75 12.328 -3.757 -18.012 641 H ILE 76 HN ILE 76 9.594 -1.816 -20.572 642 HA ILE 76 HA ILE 76 9.113 -3.290 -23.083 643 HB ILE 76 HB ILE 76 7.633 -0.909 -21.867 644 HG12 ILE 76 HG12 ILE 76 7.133 -2.968 -20.594 645 HG13 ILE 76 HG11 ILE 76 5.720 -2.451 -21.501 646 HG21 ILE 76 HG21 ILE 76 5.972 -1.218 -23.677 647 HG22 ILE 76 HG22 ILE 76 6.992 -2.467 -24.395 648 HG23 ILE 76 HG23 ILE 76 7.569 -0.802 -24.302 649 HD11 ILE 76 HD11 ILE 76 7.576 -4.710 -22.285 650 HD12 ILE 76 HD12 ILE 76 6.128 -4.204 -23.161 651 HD13 ILE 76 HD13 ILE 76 5.986 -4.878 -21.539 652 H THR 77 HN THR 77 10.417 -2.664 -24.658 653 HA THR 77 HA THR 77 12.116 -0.405 -24.752 654 HB THR 77 HB THR 77 12.521 -1.107 -27.134 655 HG1 THR 77 HG1 THR 77 11.225 -2.558 -28.108 656 HG21 THR 77 HG21 THR 77 13.317 -3.404 -26.712 657 HG22 THR 77 HG22 THR 77 12.363 -3.473 -25.230 658 HG23 THR 77 HG23 THR 77 13.721 -2.350 -25.354 659 H LYS 78 HN LYS 78 11.966 0.883 -27.182 660 HA LYS 78 HA LYS 78 9.828 2.763 -26.460 661 HB2 LYS 78 HB2 LYS 78 12.317 3.077 -28.171 662 HB3 LYS 78 HB1 LYS 78 11.130 4.355 -27.901 663 HG2 LYS 78 HG2 LYS 78 11.609 4.195 -25.441 664 HG3 LYS 78 HG1 LYS 78 12.890 3.041 -25.811 665 HD2 LYS 78 HD2 LYS 78 13.826 5.280 -25.456 666 HD3 LYS 78 HD1 LYS 78 14.081 4.781 -27.129 667 HE2 LYS 78 HE2 LYS 78 11.697 6.476 -26.367 668 HE3 LYS 78 HE1 LYS 78 13.269 7.224 -26.644 669 HZ1 LYS 78 HZ1 LYS 78 13.208 6.114 -28.881 670 HZ2 LYS 78 HZ2 LYS 78 12.071 7.338 -28.649 671 HZ3 LYS 78 HZ3 LYS 78 11.596 5.723 -28.570 672 H LYS 79 HN LYS 79 10.225 0.351 -28.374 673 HA LYS 79 HA LYS 79 9.170 1.277 -30.951 674 HB2 LYS 79 HB2 LYS 79 10.007 -1.515 -30.076 675 HB3 LYS 79 HB1 LYS 79 9.469 -1.096 -31.701 676 HG2 LYS 79 HG2 LYS 79 11.952 -0.024 -30.314 677 HG3 LYS 79 HG1 LYS 79 11.923 -1.264 -31.572 678 HD2 LYS 79 HD2 LYS 79 10.986 0.388 -33.169 679 HD3 LYS 79 HD1 LYS 79 11.010 1.624 -31.911 680 HE2 LYS 79 HE2 LYS 79 13.474 1.466 -31.794 681 HE3 LYS 79 HE1 LYS 79 13.454 0.215 -33.042 682 HZ1 LYS 79 HZ1 LYS 79 12.504 1.825 -34.572 683 HZ2 LYS 79 HZ2 LYS 79 13.986 2.373 -33.966 684 HZ3 LYS 79 HZ3 LYS 79 12.539 3.020 -33.376 685 H GLU 80 HN GLU 80 8.276 -0.692 -28.163 686 HA GLU 80 HA GLU 80 5.605 -1.299 -29.183 687 HB2 GLU 80 HB2 GLU 80 7.010 -2.089 -26.589 688 HB3 GLU 80 HB1 GLU 80 5.486 -2.744 -27.191 689 HG2 GLU 80 HG2 GLU 80 8.221 -3.077 -28.455 690 HG3 GLU 80 HG1 GLU 80 7.339 -4.306 -27.554 691 H GLN 81 HN GLN 81 7.195 0.354 -26.408 692 HA GLN 81 HA GLN 81 5.291 1.993 -25.638 693 HB2 GLN 81 HB2 GLN 81 8.104 2.936 -26.207 694 HB3 GLN 81 HB1 GLN 81 6.926 3.903 -25.334 695 HG2 GLN 81 HG2 GLN 81 6.774 2.206 -23.577 696 HG3 GLN 81 HG1 GLN 81 7.880 1.157 -24.464 697 HE21 GLN 81 HE21 GLN 81 8.257 2.045 -21.789 698 HE22 GLN 81 HE22 GLN 81 9.702 2.991 -21.757 699 H ALA 82 HN ALA 82 6.738 2.427 -28.923 700 HA ALA 82 HA ALA 82 5.380 4.947 -29.342 701 HB1 ALA 82 HB1 ALA 82 6.121 4.687 -31.672 702 HB2 ALA 82 HB2 ALA 82 6.669 3.044 -31.323 703 HB3 ALA 82 HB3 ALA 82 7.457 4.420 -30.548 704 H ASP 83 HN ASP 83 4.737 1.522 -29.826 705 HA ASP 83 HA ASP 83 2.026 2.099 -30.879 706 HB2 ASP 83 HB2 ASP 83 3.907 -0.150 -31.745 707 HB3 ASP 83 HB1 ASP 83 2.219 -0.013 -32.236 708 H MET 84 HN MET 84 1.702 2.074 -28.488 709 HA MET 84 HA MET 84 1.904 -0.274 -26.931 710 HB2 MET 84 HB2 MET 84 1.132 2.417 -26.487 711 HB3 MET 84 HB1 MET 84 -0.305 1.507 -26.071 712 HG2 MET 84 HG2 MET 84 0.988 1.835 -24.086 713 HG3 MET 84 HG1 MET 84 1.098 0.123 -24.523 714 HE1 MET 84 HE1 MET 84 3.241 -0.510 -23.306 715 HE2 MET 84 HE2 MET 84 3.213 1.062 -22.496 716 HE3 MET 84 HE3 MET 84 4.701 0.476 -23.241 717 H GLY 85 HN GLY 85 -0.527 0.857 -29.131 718 HA2 GLY 85 HA2 GLY 85 -2.761 -0.725 -28.255 719 HA3 GLY 85 HA1 GLY 85 -2.594 -0.008 -29.858 720 H LYS 86 HN LYS 86 -0.691 -1.147 -31.107 721 HA LYS 86 HA LYS 86 -1.236 -3.794 -31.722 722 HB2 LYS 86 HB2 LYS 86 -0.045 -2.220 -33.183 723 HB3 LYS 86 HB1 LYS 86 1.340 -2.209 -32.111 724 HG2 LYS 86 HG2 LYS 86 0.479 -4.811 -33.371 725 HG3 LYS 86 HG1 LYS 86 1.330 -3.630 -34.361 726 HD2 LYS 86 HD2 LYS 86 2.371 -4.852 -31.782 727 HD3 LYS 86 HD1 LYS 86 2.854 -5.326 -33.408 728 HE2 LYS 86 HE2 LYS 86 3.718 -2.992 -33.772 729 HE3 LYS 86 HE1 LYS 86 3.345 -2.645 -32.076 730 HZ1 LYS 86 HZ1 LYS 86 5.206 -4.747 -33.051 731 HZ2 LYS 86 HZ2 LYS 86 4.863 -4.402 -31.428 732 HZ3 LYS 86 HZ3 LYS 86 5.659 -3.259 -32.381 733 H LEU 87 HN LEU 87 1.092 -2.486 -29.460 734 HA LEU 87 HA LEU 87 2.644 -4.800 -28.832 735 HB2 LEU 87 HB2 LEU 87 3.503 -2.777 -27.929 736 HB3 LEU 87 HB1 LEU 87 1.962 -2.331 -27.219 737 HG LEU 87 HG LEU 87 2.228 -4.138 -25.512 738 HD11 LEU 87 HD11 LEU 87 4.376 -5.263 -25.174 739 HD12 LEU 87 HD12 LEU 87 4.993 -4.560 -26.670 740 HD13 LEU 87 HD13 LEU 87 3.650 -5.702 -26.718 741 HD21 LEU 87 HD21 LEU 87 3.928 -3.027 -24.148 742 HD22 LEU 87 HD22 LEU 87 2.898 -1.853 -24.964 743 HD23 LEU 87 HD23 LEU 87 4.527 -2.168 -25.569 744 H LYS 88 HN LYS 88 -0.064 -3.438 -26.943 745 HA LYS 88 HA LYS 88 -0.448 -5.584 -25.194 746 HB2 LYS 88 HB2 LYS 88 -2.330 -3.338 -26.039 747 HB3 LYS 88 HB1 LYS 88 -2.578 -4.366 -24.632 748 HG2 LYS 88 HG2 LYS 88 -0.386 -3.546 -23.717 749 HG3 LYS 88 HG1 LYS 88 -0.264 -2.455 -25.086 750 HD2 LYS 88 HD2 LYS 88 -1.109 -1.023 -23.468 751 HD3 LYS 88 HD1 LYS 88 -2.606 -1.576 -24.215 752 HE2 LYS 88 HE2 LYS 88 -1.399 -2.719 -21.664 753 HE3 LYS 88 HE1 LYS 88 -2.706 -1.540 -21.726 754 HZ1 LYS 88 HZ1 LYS 88 -3.545 -3.756 -21.376 755 HZ2 LYS 88 HZ2 LYS 88 -2.821 -4.306 -22.799 756 HZ3 LYS 88 HZ3 LYS 88 -4.064 -3.171 -22.876 757 H LYS 89 HN LYS 89 -1.845 -4.925 -28.398 758 HA LYS 89 HA LYS 89 -3.864 -6.908 -28.467 759 HB2 LYS 89 HB2 LYS 89 -3.618 -4.934 -30.002 760 HB3 LYS 89 HB1 LYS 89 -2.227 -5.713 -30.740 761 HG2 LYS 89 HG2 LYS 89 -3.698 -7.578 -31.483 762 HG3 LYS 89 HG1 LYS 89 -5.077 -6.720 -30.795 763 HD2 LYS 89 HD2 LYS 89 -3.299 -5.771 -33.085 764 HD3 LYS 89 HD1 LYS 89 -4.959 -6.351 -33.227 765 HE2 LYS 89 HE2 LYS 89 -5.747 -4.405 -31.924 766 HE3 LYS 89 HE1 LYS 89 -4.085 -3.828 -31.769 767 HZ1 LYS 89 HZ1 LYS 89 -5.622 -4.128 -34.289 768 HZ2 LYS 89 HZ2 LYS 89 -3.998 -3.664 -34.204 769 HZ3 LYS 89 HZ3 LYS 89 -5.197 -2.677 -33.531 770 H SER 90 HN SER 90 -0.537 -7.294 -28.337 771 HA SER 90 HA SER 90 -0.446 -9.796 -29.898 772 HB2 SER 90 HB2 SER 90 1.219 -7.984 -30.428 773 HB3 SER 90 HB1 SER 90 1.872 -8.148 -28.797 774 HG SER 90 HG SER 90 1.667 -10.496 -30.266 775 H VAL 91 HN VAL 91 -1.091 -9.028 -26.754 776 HA VAL 91 HA VAL 91 0.816 -11.012 -25.602 777 HB VAL 91 HB VAL 91 -0.596 -8.821 -24.037 778 HG11 VAL 91 HG11 VAL 91 0.234 -10.673 -22.688 779 HG12 VAL 91 HG12 VAL 91 1.209 -9.235 -22.383 780 HG13 VAL 91 HG13 VAL 91 1.834 -10.524 -23.416 781 HG21 VAL 91 HG21 VAL 91 1.522 -7.518 -24.146 782 HG22 VAL 91 HG22 VAL 91 0.767 -7.689 -25.729 783 HG23 VAL 91 HG23 VAL 91 2.167 -8.677 -25.309 784 H ARG 92 HN ARG 92 -2.434 -9.720 -24.728 785 HA ARG 92 HA ARG 92 -4.225 -10.562 -23.667 786 HB2 ARG 92 HB2 ARG 92 -3.842 -12.324 -25.670 787 HB3 ARG 92 HB1 ARG 92 -3.528 -13.425 -24.346 788 HG2 ARG 92 HG2 ARG 92 -6.087 -11.823 -24.564 789 HG3 ARG 92 HG1 ARG 92 -5.886 -13.402 -25.317 790 HD2 ARG 92 HD2 ARG 92 -5.680 -12.818 -22.335 791 HD3 ARG 92 HD1 ARG 92 -7.070 -13.544 -23.158 792 HE ARG 92 HE ARG 92 -5.172 -15.274 -23.846 793 HH11 ARG 92 HH11 ARG 92 -5.742 -13.867 -20.671 794 HH12 ARG 92 HH12 ARG 92 -5.180 -15.273 -19.833 795 HH21 ARG 92 HH21 ARG 92 -4.459 -17.089 -22.724 796 HH22 ARG 92 HH22 ARG 92 -4.465 -17.107 -20.989 797 H GLY 93 HN GLY 93 -2.035 -9.960 -22.161 798 HA2 GLY 93 HA2 GLY 93 -2.762 -11.038 -19.647 799 HA3 GLY 93 HA1 GLY 93 -1.267 -11.810 -20.168 800 H LEU 94 HN LEU 94 -1.722 -8.760 -21.263 801 HA LEU 94 HA LEU 94 0.793 -7.978 -20.074 802 HB2 LEU 94 HB2 LEU 94 0.290 -7.347 -22.426 803 HB3 LEU 94 HB1 LEU 94 -0.757 -6.072 -21.824 804 HG LEU 94 HG LEU 94 1.095 -4.881 -20.829 805 HD11 LEU 94 HD11 LEU 94 3.440 -5.712 -20.836 806 HD12 LEU 94 HD12 LEU 94 2.883 -7.271 -21.446 807 HD13 LEU 94 HD13 LEU 94 2.385 -6.715 -19.842 808 HD21 LEU 94 HD21 LEU 94 2.051 -5.879 -23.527 809 HD22 LEU 94 HD22 LEU 94 2.526 -4.374 -22.734 810 HD23 LEU 94 HD23 LEU 94 0.869 -4.601 -23.274 811 H VAL 95 HN VAL 95 1.121 -7.200 -18.391 812 HA VAL 95 HA VAL 95 -0.528 -5.202 -16.884 813 HB VAL 95 HB VAL 95 1.565 -7.149 -15.758 814 HG11 VAL 95 HG11 VAL 95 1.585 -5.051 -14.490 815 HG12 VAL 95 HG12 VAL 95 0.903 -6.350 -13.512 816 HG13 VAL 95 HG13 VAL 95 -0.161 -5.150 -14.250 817 HG21 VAL 95 HG21 VAL 95 -0.316 -8.258 -14.594 818 HG22 VAL 95 HG22 VAL 95 -0.518 -8.317 -16.346 819 HG23 VAL 95 HG23 VAL 95 -1.456 -7.168 -15.390 820 H VAL 96 HN VAL 96 0.617 -3.065 -16.554 821 HA VAL 96 HA VAL 96 3.389 -2.984 -17.503 822 HB VAL 96 HB VAL 96 1.255 -1.003 -18.464 823 HG11 VAL 96 HG11 VAL 96 3.049 -0.086 -19.907 824 HG12 VAL 96 HG12 VAL 96 4.198 -1.227 -19.202 825 HG13 VAL 96 HG13 VAL 96 3.470 0.025 -18.195 826 HG21 VAL 96 HG21 VAL 96 1.559 -1.930 -20.732 827 HG22 VAL 96 HG22 VAL 96 0.969 -3.169 -19.623 828 HG23 VAL 96 HG23 VAL 96 2.668 -3.150 -20.097 829 H VAL 97 HN VAL 97 4.461 -2.083 -15.892 830 HA VAL 97 HA VAL 97 3.097 -0.344 -13.894 831 HB VAL 97 HB VAL 97 5.749 -1.766 -13.423 832 HG11 VAL 97 HG11 VAL 97 5.163 -1.488 -11.028 833 HG12 VAL 97 HG12 VAL 97 3.665 -0.674 -11.488 834 HG13 VAL 97 HG13 VAL 97 5.223 0.064 -11.866 835 HG21 VAL 97 HG21 VAL 97 4.516 -3.588 -12.268 836 HG22 VAL 97 HG22 VAL 97 4.120 -3.526 -13.985 837 HG23 VAL 97 HG23 VAL 97 2.982 -2.887 -12.797 838 H HIS 98 HN HIS 98 3.751 1.827 -13.709 839 HA HIS 98 HA HIS 98 5.819 2.743 -15.587 840 HB2 HIS 98 HB2 HIS 98 3.510 3.569 -15.988 841 HB3 HIS 98 HB1 HIS 98 3.401 4.130 -14.327 842 HD2 HIS 98 HD2 HIS 98 4.843 5.233 -17.757 843 HE1 HIS 98 HE1 HIS 98 5.532 8.323 -14.967 844 HE2 HIS 98 HE2 HIS 98 5.677 7.658 -17.395 845 HA PRO 99 HA PRO 99 8.523 3.789 -12.146 846 HB2 PRO 99 HB2 PRO 99 9.584 6.212 -13.125 847 HB3 PRO 99 HB1 PRO 99 10.163 4.597 -13.521 848 HG2 PRO 99 HG2 PRO 99 8.273 6.348 -15.059 849 HG3 PRO 99 HG1 PRO 99 9.614 5.350 -15.657 850 HD2 PRO 99 HD2 PRO 99 7.112 4.498 -15.901 851 HD3 PRO 99 HD1 PRO 99 8.390 3.352 -15.435 852 H MET 100 HN MET 100 6.687 6.651 -13.325 853 HA MET 100 HA MET 100 7.302 8.077 -10.843 854 HB2 MET 100 HB2 MET 100 5.830 9.119 -13.288 855 HB3 MET 100 HB1 MET 100 6.532 10.081 -11.990 856 HG2 MET 100 HG2 MET 100 8.790 9.159 -12.699 857 HG3 MET 100 HG1 MET 100 7.984 8.488 -14.117 858 HE1 MET 100 HE1 MET 100 6.490 10.125 -15.784 859 HE2 MET 100 HE2 MET 100 6.623 11.885 -15.762 860 HE3 MET 100 HE3 MET 100 5.770 11.045 -14.465 861 H THR 101 HN THR 101 4.838 6.077 -11.814 862 HA THR 101 HA THR 101 2.604 7.338 -10.493 863 HB THR 101 HB THR 101 1.529 5.082 -10.612 864 HG1 THR 101 HG1 THR 101 3.532 3.914 -12.097 865 HG21 THR 101 HG21 THR 101 2.885 5.909 -13.209 866 HG22 THR 101 HG22 THR 101 1.358 6.543 -12.587 867 HG23 THR 101 HG23 THR 101 1.478 4.851 -13.078 868 H ALA 102 HN ALA 102 1.510 5.907 -8.697 869 HA ALA 102 HA ALA 102 2.924 6.003 -6.309 870 HB1 ALA 102 HB1 ALA 102 0.463 5.968 -6.416 871 HB2 ALA 102 HB2 ALA 102 1.056 4.685 -5.361 872 HB3 ALA 102 HB3 ALA 102 0.502 4.299 -6.990 873 H LEU 103 HN LEU 103 2.013 3.122 -8.159 874 HA LEU 103 HA LEU 103 3.173 1.193 -6.408 875 HB2 LEU 103 HB2 LEU 103 1.316 0.678 -8.043 876 HB3 LEU 103 HB1 LEU 103 2.482 0.785 -9.344 877 HG LEU 103 HG LEU 103 3.777 -1.109 -8.299 878 HD11 LEU 103 HD11 LEU 103 1.402 -1.343 -6.426 879 HD12 LEU 103 HD12 LEU 103 3.056 -0.905 -5.982 880 HD13 LEU 103 HD13 LEU 103 2.704 -2.521 -6.590 881 HD21 LEU 103 HD21 LEU 103 0.906 -1.784 -9.031 882 HD22 LEU 103 HD22 LEU 103 2.265 -2.913 -9.013 883 HD23 LEU 103 HD23 LEU 103 2.252 -1.573 -10.159 884 H GLY 104 HN GLY 104 4.364 2.577 -9.585 885 HA2 GLY 104 HA2 GLY 104 6.773 1.314 -9.856 886 HA3 GLY 104 HA1 GLY 104 6.485 2.995 -10.258 887 H ARG 105 HN ARG 105 6.832 4.602 -8.533 888 HA ARG 105 HA ARG 105 9.057 4.728 -7.028 889 HB2 ARG 105 HB2 ARG 105 6.329 5.781 -6.161 890 HB3 ARG 105 HB1 ARG 105 7.856 6.304 -5.453 891 HG2 ARG 105 HG2 ARG 105 8.553 7.308 -7.563 892 HG3 ARG 105 HG1 ARG 105 7.138 6.659 -8.386 893 HD2 ARG 105 HD2 ARG 105 6.990 9.101 -7.802 894 HD3 ARG 105 HD1 ARG 105 5.658 8.115 -7.186 895 HE ARG 105 HE ARG 105 7.718 8.337 -5.236 896 HH11 ARG 105 HH11 ARG 105 5.215 10.327 -6.676 897 HH12 ARG 105 HH12 ARG 105 4.936 11.236 -5.227 898 HH21 ARG 105 HH21 ARG 105 7.319 9.515 -3.344 899 HH22 ARG 105 HH22 ARG 105 6.128 10.777 -3.345 900 H GLU 106 HN GLU 106 6.146 3.320 -5.933 901 HA GLU 106 HA GLU 106 6.716 2.441 -3.341 902 HB2 GLU 106 HB2 GLU 106 4.469 2.049 -4.567 903 HB3 GLU 106 HB1 GLU 106 5.187 0.560 -5.166 904 HG2 GLU 106 HG2 GLU 106 3.884 -0.030 -3.263 905 HG3 GLU 106 HG1 GLU 106 5.578 -0.148 -2.769 906 H MET 107 HN MET 107 6.994 0.204 -6.130 907 HA MET 107 HA MET 107 8.771 -1.637 -4.796 908 HB2 MET 107 HB2 MET 107 8.025 -1.532 -7.743 909 HB3 MET 107 HB1 MET 107 8.799 -2.872 -6.932 910 HG2 MET 107 HG2 MET 107 6.828 -3.439 -5.746 911 HG3 MET 107 HG1 MET 107 6.061 -1.893 -6.113 912 HE1 MET 107 HE1 MET 107 6.771 -5.089 -9.427 913 HE2 MET 107 HE2 MET 107 7.478 -5.203 -7.809 914 HE3 MET 107 HE3 MET 107 8.032 -3.956 -8.926 915 H GLY 108 HN GLY 108 9.380 1.343 -6.175 916 HA2 GLY 108 HA2 GLY 108 11.359 2.485 -6.412 917 HA3 GLY 108 HA1 GLY 108 12.240 1.018 -6.031 918 H LEU 109 HN LEU 109 9.922 1.501 -8.685 919 HA LEU 109 HA LEU 109 11.942 0.754 -10.676 920 HB2 LEU 109 HB2 LEU 109 8.983 1.363 -11.107 921 HB3 LEU 109 HB1 LEU 109 10.084 0.645 -12.275 922 HG LEU 109 HG LEU 109 9.036 -0.655 -9.727 923 HD11 LEU 109 HD11 LEU 109 7.406 -0.587 -11.557 924 HD12 LEU 109 HD12 LEU 109 7.937 -2.236 -11.248 925 HD13 LEU 109 HD13 LEU 109 8.566 -1.358 -12.646 926 HD21 LEU 109 HD21 LEU 109 10.229 -2.689 -10.375 927 HD22 LEU 109 HD22 LEU 109 11.362 -1.372 -10.089 928 HD23 LEU 109 HD23 LEU 109 10.971 -1.856 -11.748 929 H GLU 110 HN GLU 110 12.885 2.184 -12.044 930 HA GLU 110 HA GLU 110 11.782 4.931 -12.345 931 HB2 GLU 110 HB2 GLU 110 14.083 5.732 -12.719 932 HB3 GLU 110 HB1 GLU 110 13.912 4.992 -11.131 933 HG2 GLU 110 HG2 GLU 110 14.958 2.923 -11.969 934 HG3 GLU 110 HG1 GLU 110 15.124 3.664 -13.563 935 H GLU 111 HN GLU 111 11.823 2.132 -13.805 936 HA GLU 111 HA GLU 111 11.659 3.310 -16.523 937 HB2 GLU 111 HB2 GLU 111 12.632 1.250 -17.512 938 HB3 GLU 111 HB1 GLU 111 13.785 2.098 -16.490 939 HG2 GLU 111 HG2 GLU 111 12.198 -0.322 -15.560 940 HG3 GLU 111 HG1 GLU 111 13.780 -0.439 -16.325 941 H MET 112 HN MET 112 9.999 2.482 -17.847 942 HA MET 112 HA MET 112 7.726 1.299 -16.570 943 HB2 MET 112 HB2 MET 112 7.260 2.852 -18.340 944 HB3 MET 112 HB1 MET 112 8.375 2.048 -19.441 945 HG2 MET 112 HG2 MET 112 6.889 0.228 -19.786 946 HG3 MET 112 HG1 MET 112 5.870 0.694 -18.427 947 HE1 MET 112 HE1 MET 112 5.175 3.645 -18.644 948 HE2 MET 112 HE2 MET 112 3.988 2.347 -18.490 949 HE3 MET 112 HE3 MET 112 3.780 3.599 -19.720 950 H THR 113 HN THR 113 7.372 -0.886 -16.298 951 HA THR 113 HA THR 113 9.063 -2.796 -17.741 952 HB THR 113 HB THR 113 8.125 -2.806 -14.813 953 HG1 THR 113 HG1 THR 113 9.845 -1.286 -15.368 954 HG21 THR 113 HG21 THR 113 9.624 -4.723 -14.492 955 HG22 THR 113 HG22 THR 113 10.024 -4.723 -16.213 956 HG23 THR 113 HG23 THR 113 8.378 -5.094 -15.688 957 H GLY 114 HN GLY 114 7.648 -4.914 -18.217 958 HA2 GLY 114 HA2 GLY 114 4.957 -4.838 -17.065 959 HA3 GLY 114 HA1 GLY 114 5.150 -4.899 -18.808 960 H PHE 115 HN PHE 115 4.035 -6.737 -16.667 961 HA PHE 115 HA PHE 115 5.527 -9.256 -17.187 962 HB2 PHE 115 HB2 PHE 115 3.550 -8.631 -14.934 963 HB3 PHE 115 HB1 PHE 115 4.524 -10.091 -15.094 964 HD1 PHE 115 HD1 PHE 115 4.753 -6.395 -14.535 965 HD2 PHE 115 HD2 PHE 115 6.747 -10.164 -14.165 966 HE1 PHE 115 HE1 PHE 115 6.532 -5.332 -13.202 967 HE2 PHE 115 HE2 PHE 115 8.523 -9.089 -12.848 968 HZ PHE 115 HZ PHE 115 8.419 -6.676 -12.365 969 H SER 116 HN SER 116 3.804 -11.257 -17.017 970 HA SER 116 HA SER 116 1.259 -10.877 -18.137 971 HB2 SER 116 HB2 SER 116 2.467 -10.153 -20.173 972 HB3 SER 116 HB1 SER 116 3.360 -11.677 -20.197 973 HG SER 116 HG SER 116 1.694 -12.071 -21.520 974 H LYS 117 HN LYS 117 0.113 -12.831 -18.468 975 HA LYS 117 HA LYS 117 1.275 -15.263 -17.333 976 HB2 LYS 117 HB2 LYS 117 -1.540 -14.604 -18.294 977 HB3 LYS 117 HB1 LYS 117 -1.058 -16.180 -17.665 978 HG2 LYS 117 HG2 LYS 117 -0.800 -13.623 -16.068 979 HG3 LYS 117 HG1 LYS 117 -2.247 -14.630 -16.034 980 HD2 LYS 117 HD2 LYS 117 0.495 -15.752 -15.350 981 HD3 LYS 117 HD1 LYS 117 -0.484 -14.919 -14.145 982 HE2 LYS 117 HE2 LYS 117 -0.860 -17.279 -13.884 983 HE3 LYS 117 HE1 LYS 117 -2.321 -16.584 -14.575 984 HZ1 LYS 117 HZ1 LYS 117 -1.646 -17.422 -16.737 985 HZ2 LYS 117 HZ2 LYS 117 -1.738 -18.672 -15.607 986 HZ3 LYS 117 HZ3 LYS 117 -0.234 -18.069 -16.075 987 H THR 118 HN THR 118 1.018 -13.844 -20.352 988 HA THR 118 HA THR 118 1.246 -16.386 -21.851 989 HB THR 118 HB THR 118 0.092 -15.096 -23.735 990 HG1 THR 118 HG1 THR 118 -1.160 -13.267 -22.951 991 HG21 THR 118 HG21 THR 118 -1.204 -16.740 -22.424 992 HG22 THR 118 HG22 THR 118 -2.206 -15.351 -22.850 993 HG23 THR 118 HG23 THR 118 -1.563 -15.504 -21.215 994 H THR 119 HN THR 119 2.405 -16.077 -23.945 995 HA THR 119 HA THR 119 4.893 -14.742 -23.517 996 HB THR 119 HB THR 119 4.778 -16.889 -24.729 997 HG1 THR 119 HG1 THR 119 6.546 -15.475 -25.135 998 HG21 THR 119 HG21 THR 119 2.677 -16.560 -26.005 999 HG22 THR 119 HG22 THR 119 4.006 -17.019 -27.071 1000 HG23 THR 119 HG23 THR 119 3.473 -15.339 -27.003 1001 H PHE 120 HN PHE 120 5.819 -13.013 -24.649 1002 HA PHE 120 HA PHE 120 4.511 -11.602 -26.767 1003 HB2 PHE 120 HB2 PHE 120 4.283 -9.409 -25.667 1004 HB3 PHE 120 HB1 PHE 120 3.248 -10.594 -24.903 1005 HD1 PHE 120 HD2 PHE 120 4.821 -11.893 -22.868 1006 HD2 PHE 120 HD1 PHE 120 4.988 -7.809 -24.121 1007 HE1 PHE 120 HE2 PHE 120 5.674 -11.239 -20.656 1008 HE2 PHE 120 HE1 PHE 120 5.835 -7.168 -21.907 1009 HZ PHE 120 HZ PHE 120 6.178 -8.879 -20.173 Start of MODEL 20 1 H MET 1 HT1 MET 1 -12.813 -7.082 14.092 2 HA MET 1 HA MET 1 -11.357 -8.954 14.292 3 HB2 MET 1 HB2 MET 1 -13.044 -10.647 14.912 4 HB3 MET 1 HB1 MET 1 -13.754 -10.567 13.304 5 HG2 MET 1 HG2 MET 1 -12.347 -12.570 13.590 6 HG3 MET 1 HG1 MET 1 -11.714 -11.513 12.324 7 HE1 MET 1 HE1 MET 1 -9.358 -12.745 12.364 8 HE2 MET 1 HE2 MET 1 -9.961 -13.857 13.594 9 HE3 MET 1 HE3 MET 1 -8.422 -13.027 13.831 10 H LYS 2 HN LYS 2 -13.669 -9.440 11.564 11 HA LYS 2 HA LYS 2 -11.473 -8.990 9.672 12 HB2 LYS 2 HB2 LYS 2 -13.120 -11.022 9.590 13 HB3 LYS 2 HB1 LYS 2 -14.282 -9.895 8.907 14 HG2 LYS 2 HG2 LYS 2 -11.553 -10.518 7.702 15 HG3 LYS 2 HG1 LYS 2 -13.055 -11.301 7.214 16 HD2 LYS 2 HD2 LYS 2 -13.936 -9.179 6.382 17 HD3 LYS 2 HD1 LYS 2 -12.533 -8.311 7.001 18 HE2 LYS 2 HE2 LYS 2 -11.088 -9.579 5.409 19 HE3 LYS 2 HE1 LYS 2 -12.534 -10.346 4.743 20 HZ1 LYS 2 HZ1 LYS 2 -11.937 -7.427 4.738 21 HZ2 LYS 2 HZ2 LYS 2 -13.351 -8.132 4.143 22 HZ3 LYS 2 HZ3 LYS 2 -11.871 -8.461 3.402 23 H GLU 3 HN GLU 3 -11.220 -7.028 8.794 24 HA GLU 3 HA GLU 3 -13.556 -5.530 7.886 25 HB2 GLU 3 HB2 GLU 3 -12.337 -3.368 8.721 26 HB3 GLU 3 HB1 GLU 3 -13.296 -4.307 9.857 27 HG2 GLU 3 HG2 GLU 3 -11.282 -5.317 10.798 28 HG3 GLU 3 HG1 GLU 3 -10.278 -4.519 9.592 29 H VAL 4 HN VAL 4 -10.300 -4.108 7.866 30 HA VAL 4 HA VAL 4 -9.922 -4.884 5.048 31 HB VAL 4 HB VAL 4 -9.706 -1.991 6.037 32 HG11 VAL 4 HG11 VAL 4 -9.277 -3.102 3.239 33 HG12 VAL 4 HG12 VAL 4 -8.030 -2.469 4.315 34 HG13 VAL 4 HG13 VAL 4 -9.270 -1.389 3.678 35 HG21 VAL 4 HG21 VAL 4 -11.769 -3.178 4.142 36 HG22 VAL 4 HG22 VAL 4 -11.616 -1.471 4.559 37 HG23 VAL 4 HG23 VAL 4 -12.069 -2.643 5.794 38 H GLU 5 HN GLU 5 -7.992 -5.690 4.892 39 HA GLU 5 HA GLU 5 -5.999 -5.819 6.870 40 HB2 GLU 5 HB2 GLU 5 -4.465 -6.797 5.240 41 HB3 GLU 5 HB1 GLU 5 -6.081 -7.449 5.021 42 HG2 GLU 5 HG2 GLU 5 -4.798 -5.319 3.291 43 HG3 GLU 5 HG1 GLU 5 -4.894 -7.032 2.893 44 H LYS 6 HN LYS 6 -6.141 -3.611 4.101 45 HA LYS 6 HA LYS 6 -3.867 -2.036 4.567 46 HB2 LYS 6 HB2 LYS 6 -6.603 -1.073 3.643 47 HB3 LYS 6 HB1 LYS 6 -5.078 -0.231 3.387 48 HG2 LYS 6 HG2 LYS 6 -4.297 -1.946 1.877 49 HG3 LYS 6 HG1 LYS 6 -5.659 -2.994 2.280 50 HD2 LYS 6 HD2 LYS 6 -7.207 -1.313 1.274 51 HD3 LYS 6 HD1 LYS 6 -5.811 -0.342 0.799 52 HE2 LYS 6 HE2 LYS 6 -5.008 -2.205 -0.610 53 HE3 LYS 6 HE1 LYS 6 -6.398 -3.176 -0.126 54 HZ1 LYS 6 HZ1 LYS 6 -6.788 -2.193 -2.262 55 HZ2 LYS 6 HZ2 LYS 6 -6.459 -0.647 -1.669 56 HZ3 LYS 6 HZ3 LYS 6 -7.831 -1.476 -1.139 57 H ASN 7 HN ASN 7 -7.137 -1.718 6.014 58 HA ASN 7 HA ASN 7 -6.489 0.467 7.745 59 HB2 ASN 7 HB2 ASN 7 -8.750 -1.553 7.779 60 HB3 ASN 7 HB1 ASN 7 -8.556 -0.405 9.099 61 HD21 ASN 7 HD21 ASN 7 -10.738 -0.649 7.178 62 HD22 ASN 7 HD22 ASN 7 -10.855 0.879 6.387 63 H GLU 8 HN GLU 8 -6.043 -2.990 8.073 64 HA GLU 8 HA GLU 8 -5.174 -3.027 10.788 65 HB2 GLU 8 HB2 GLU 8 -4.751 -4.930 8.484 66 HB3 GLU 8 HB1 GLU 8 -3.749 -5.131 9.912 67 HG2 GLU 8 HG2 GLU 8 -5.557 -6.618 10.131 68 HG3 GLU 8 HG1 GLU 8 -5.844 -5.315 11.273 69 H ILE 9 HN ILE 9 -3.165 -2.661 7.731 70 HA ILE 9 HA ILE 9 -0.745 -2.261 9.048 71 HB ILE 9 HB ILE 9 -1.648 -1.216 6.329 72 HG12 ILE 9 HG12 ILE 9 -1.830 -3.696 6.524 73 HG13 ILE 9 HG11 ILE 9 -0.586 -3.234 5.373 74 HG21 ILE 9 HG21 ILE 9 1.188 -1.515 7.386 75 HG22 ILE 9 HG22 ILE 9 0.353 -0.001 7.051 76 HG23 ILE 9 HG23 ILE 9 0.761 -1.091 5.726 77 HD11 ILE 9 HD11 ILE 9 0.091 -5.139 6.742 78 HD12 ILE 9 HD12 ILE 9 -0.094 -4.181 8.206 79 HD13 ILE 9 HD13 ILE 9 1.159 -3.762 7.026 80 H LYS 10 HN LYS 10 -3.293 0.011 8.174 81 HA LYS 10 HA LYS 10 -2.053 2.449 8.912 82 HB2 LYS 10 HB2 LYS 10 -4.155 2.375 7.625 83 HB3 LYS 10 HB1 LYS 10 -4.982 1.600 8.972 84 HG2 LYS 10 HG2 LYS 10 -4.434 3.752 10.313 85 HG3 LYS 10 HG1 LYS 10 -4.023 4.467 8.754 86 HD2 LYS 10 HD2 LYS 10 -6.342 5.026 9.379 87 HD3 LYS 10 HD1 LYS 10 -6.322 4.010 7.936 88 HE2 LYS 10 HE2 LYS 10 -6.892 2.039 9.292 89 HE3 LYS 10 HE1 LYS 10 -6.837 3.016 10.760 90 HZ1 LYS 10 HZ1 LYS 10 -9.088 2.658 9.990 91 HZ2 LYS 10 HZ2 LYS 10 -8.725 3.398 8.512 92 HZ3 LYS 10 HZ3 LYS 10 -8.688 4.303 9.942 93 H ARG 11 HN ARG 11 -4.161 0.291 10.669 94 HA ARG 11 HA ARG 11 -4.189 1.282 13.212 95 HB2 ARG 11 HB2 ARG 11 -5.498 -0.649 12.610 96 HB3 ARG 11 HB1 ARG 11 -4.056 -1.639 12.428 97 HG2 ARG 11 HG2 ARG 11 -3.661 -1.654 14.794 98 HG3 ARG 11 HG1 ARG 11 -4.880 -0.407 15.071 99 HD2 ARG 11 HD2 ARG 11 -5.490 -3.190 13.994 100 HD3 ARG 11 HD1 ARG 11 -5.674 -2.693 15.678 101 HE ARG 11 HE ARG 11 -7.377 -1.119 14.983 102 HH11 ARG 11 HH11 ARG 11 -6.611 -3.561 12.569 103 HH12 ARG 11 HH12 ARG 11 -8.106 -3.346 11.714 104 HH21 ARG 11 HH21 ARG 11 -9.311 -0.870 13.869 105 HH22 ARG 11 HH22 ARG 11 -9.645 -1.847 12.478 106 H LEU 12 HN LEU 12 -1.634 -1.112 12.185 107 HA LEU 12 HA LEU 12 -0.114 -0.784 14.576 108 HB2 LEU 12 HB2 LEU 12 1.729 -1.989 13.406 109 HB3 LEU 12 HB1 LEU 12 0.176 -2.802 13.386 110 HG LEU 12 HG LEU 12 0.041 -1.597 10.956 111 HD11 LEU 12 HD11 LEU 12 2.223 -0.504 11.086 112 HD12 LEU 12 HD12 LEU 12 2.181 -1.685 9.781 113 HD13 LEU 12 HD13 LEU 12 3.016 -2.069 11.289 114 HD21 LEU 12 HD21 LEU 12 -0.290 -3.984 11.344 115 HD22 LEU 12 HD22 LEU 12 1.455 -4.230 11.462 116 HD23 LEU 12 HD23 LEU 12 0.733 -3.711 9.935 117 H SER 13 HN SER 13 0.301 0.799 11.378 118 HA SER 13 HA SER 13 2.404 2.462 11.900 119 HB2 SER 13 HB2 SER 13 1.116 2.323 9.750 120 HB3 SER 13 HB1 SER 13 -0.169 3.272 10.490 121 HG SER 13 HG SER 13 0.956 5.020 10.178 122 H ASP 14 HN ASP 14 -1.039 3.360 12.606 123 HA ASP 14 HA ASP 14 -0.633 5.661 14.077 124 HB2 ASP 14 HB2 ASP 14 -2.829 4.685 13.155 125 HB3 ASP 14 HB1 ASP 14 -2.874 3.654 14.572 126 H ARG 15 HN ARG 15 -0.670 2.380 15.095 127 HA ARG 15 HA ARG 15 -0.423 2.517 17.882 128 HB2 ARG 15 HB2 ARG 15 -0.475 0.313 16.738 129 HB3 ARG 15 HB1 ARG 15 1.159 0.575 16.135 130 HG2 ARG 15 HG2 ARG 15 1.183 -0.953 18.050 131 HG3 ARG 15 HG1 ARG 15 2.069 0.531 18.401 132 HD2 ARG 15 HD2 ARG 15 -0.070 1.371 19.534 133 HD3 ARG 15 HD1 ARG 15 -0.665 -0.285 19.403 134 HE ARG 15 HE ARG 15 1.605 -0.761 20.648 135 HH11 ARG 15 HH11 ARG 15 -0.693 1.829 21.293 136 HH12 ARG 15 HH12 ARG 15 -0.232 1.975 22.959 137 HH21 ARG 15 HH21 ARG 15 2.176 -0.546 22.847 138 HH22 ARG 15 HH22 ARG 15 1.374 0.639 23.830 139 H LEU 16 HN LEU 16 2.311 2.538 15.541 140 HA LEU 16 HA LEU 16 4.274 3.272 17.471 141 HB2 LEU 16 HB2 LEU 16 4.574 2.185 15.098 142 HB3 LEU 16 HB1 LEU 16 4.558 3.828 14.499 143 HG LEU 16 HG LEU 16 6.864 2.868 14.762 144 HD11 LEU 16 HD11 LEU 16 7.945 4.769 15.837 145 HD12 LEU 16 HD12 LEU 16 6.407 5.270 16.541 146 HD13 LEU 16 HD13 LEU 16 6.628 5.295 14.791 147 HD21 LEU 16 HD21 LEU 16 6.503 1.466 16.731 148 HD22 LEU 16 HD22 LEU 16 6.292 2.896 17.742 149 HD23 LEU 16 HD23 LEU 16 7.853 2.566 16.988 150 H ASP 17 HN ASP 17 2.236 5.297 15.167 151 HA ASP 17 HA ASP 17 3.434 7.727 15.454 152 HB2 ASP 17 HB2 ASP 17 1.649 7.131 13.838 153 HB3 ASP 17 HB1 ASP 17 0.481 7.047 15.145 154 H ALA 18 HN ALA 18 0.430 6.818 17.209 155 HA ALA 18 HA ALA 18 0.387 8.539 19.253 156 HB1 ALA 18 HB1 ALA 18 -1.304 6.814 18.897 157 HB2 ALA 18 HB2 ALA 18 -0.806 6.882 20.588 158 HB3 ALA 18 HB3 ALA 18 -0.210 5.590 19.542 159 H ILE 19 HN ILE 19 2.636 5.798 19.058 160 HA ILE 19 HA ILE 19 3.548 6.011 21.808 161 HB ILE 19 HB ILE 19 4.697 4.476 19.435 162 HG12 ILE 19 HG12 ILE 19 3.455 3.543 22.073 163 HG13 ILE 19 HG11 ILE 19 2.621 3.589 20.524 164 HG21 ILE 19 HG21 ILE 19 6.365 3.441 20.953 165 HG22 ILE 19 HG22 ILE 19 5.884 4.545 22.242 166 HG23 ILE 19 HG23 ILE 19 6.641 5.175 20.778 167 HD11 ILE 19 HD11 ILE 19 4.989 1.857 21.215 168 HD12 ILE 19 HD12 ILE 19 4.174 1.910 19.647 169 HD13 ILE 19 HD13 ILE 19 3.308 1.345 21.075 170 H ARG 20 HN ARG 20 4.931 7.144 18.642 171 HA ARG 20 HA ARG 20 7.179 8.334 19.785 172 HB2 ARG 20 HB2 ARG 20 7.575 9.367 17.583 173 HB3 ARG 20 HB1 ARG 20 7.185 7.666 17.449 174 HG2 ARG 20 HG2 ARG 20 6.008 8.549 15.651 175 HG3 ARG 20 HG1 ARG 20 4.766 8.504 16.890 176 HD2 ARG 20 HD2 ARG 20 5.471 10.993 17.344 177 HD3 ARG 20 HD1 ARG 20 6.205 10.899 15.741 178 HE ARG 20 HE ARG 20 3.599 9.979 15.448 179 HH11 ARG 20 HH11 ARG 20 5.127 13.021 16.339 180 HH12 ARG 20 HH12 ARG 20 3.742 13.975 15.911 181 HH21 ARG 20 HH21 ARG 20 1.761 11.289 14.953 182 HH22 ARG 20 HH22 ARG 20 1.861 13.011 15.164 183 H HIS 21 HN HIS 21 3.930 9.899 18.950 184 HA HIS 21 HA HIS 21 4.690 12.449 19.715 185 HB2 HIS 21 HB2 HIS 21 2.584 11.587 18.427 186 HB3 HIS 21 HB1 HIS 21 1.892 11.299 20.010 187 HD1 HIS 21 HD1 HIS 21 0.734 13.252 21.091 188 HD2 HIS 21 HD2 HIS 21 3.314 14.462 18.061 189 HE1 HIS 21 HE1 HIS 21 0.419 15.734 20.884 190 HE2 HIS 21 HE2 HIS 21 2.111 16.456 19.174 191 H GLN 22 HN GLN 22 3.259 9.791 21.485 192 HA GLN 22 HA GLN 22 2.883 10.888 24.026 193 HB2 GLN 22 HB2 GLN 22 2.070 8.713 23.608 194 HB3 GLN 22 HB1 GLN 22 3.621 8.134 23.023 195 HG2 GLN 22 HG2 GLN 22 4.497 8.098 25.290 196 HG3 GLN 22 HG1 GLN 22 2.979 8.764 25.911 197 HE21 GLN 22 HE21 GLN 22 4.433 5.966 24.308 198 HE22 GLN 22 HE22 GLN 22 3.226 4.822 24.786 199 H GLN 23 HN GLN 23 5.836 9.528 22.544 200 HA GLN 23 HA GLN 23 7.478 10.020 24.855 201 HB2 GLN 23 HB2 GLN 23 8.181 9.240 22.007 202 HB3 GLN 23 HB1 GLN 23 9.366 9.396 23.306 203 HG2 GLN 23 HG2 GLN 23 8.198 7.627 24.564 204 HG3 GLN 23 HG1 GLN 23 7.051 7.454 23.233 205 HE21 GLN 23 HE21 GLN 23 10.335 6.894 24.284 206 HE22 GLN 23 HE22 GLN 23 10.787 5.863 22.976 207 H ALA 24 HN ALA 24 6.613 11.854 21.939 208 HA ALA 24 HA ALA 24 8.589 13.817 22.075 209 HB1 ALA 24 HB1 ALA 24 7.043 13.605 20.178 210 HB2 ALA 24 HB2 ALA 24 7.046 15.247 20.825 211 HB3 ALA 24 HB3 ALA 24 5.712 14.154 21.197 212 H ASP 25 HN ASP 25 5.203 13.990 23.582 213 HA ASP 25 HA ASP 25 5.641 16.123 25.235 214 HB2 ASP 25 HB2 ASP 25 4.044 13.569 25.725 215 HB3 ASP 25 HB1 ASP 25 3.927 14.995 26.745 216 H LEU 26 HN LEU 26 6.812 12.842 25.543 217 HA LEU 26 HA LEU 26 7.812 13.256 28.246 218 HB2 LEU 26 HB2 LEU 26 8.317 10.944 26.352 219 HB3 LEU 26 HB1 LEU 26 8.753 10.995 28.055 220 HG LEU 26 HG LEU 26 5.942 10.951 26.910 221 HD11 LEU 26 HD11 LEU 26 5.766 8.780 28.070 222 HD12 LEU 26 HD12 LEU 26 7.483 8.888 28.464 223 HD13 LEU 26 HD13 LEU 26 6.968 8.795 26.781 224 HD21 LEU 26 HD21 LEU 26 5.938 12.373 28.874 225 HD22 LEU 26 HD22 LEU 26 6.751 11.120 29.819 226 HD23 LEU 26 HD23 LEU 26 5.113 10.852 29.212 227 H SER 27 HN SER 27 9.963 13.296 28.830 228 HA SER 27 HA SER 27 11.985 13.692 26.693 229 HB2 SER 27 HB2 SER 27 11.491 15.842 27.887 230 HB3 SER 27 HB1 SER 27 11.909 15.070 29.418 231 HG SER 27 HG SER 27 13.567 15.820 27.279 232 H LEU 28 HN LEU 28 14.083 12.935 27.258 233 HA LEU 28 HA LEU 28 14.363 10.643 28.905 234 HB2 LEU 28 HB2 LEU 28 15.734 11.156 26.917 235 HB3 LEU 28 HB1 LEU 28 16.417 12.555 27.713 236 HG LEU 28 HG LEU 28 16.868 9.822 28.921 237 HD11 LEU 28 HD11 LEU 28 17.421 9.504 26.556 238 HD12 LEU 28 HD12 LEU 28 18.883 9.495 27.534 239 HD13 LEU 28 HD13 LEU 28 18.466 10.925 26.584 240 HD21 LEU 28 HD21 LEU 28 18.596 12.315 28.818 241 HD22 LEU 28 HD22 LEU 28 19.024 10.798 29.618 242 HD23 LEU 28 HD23 LEU 28 17.658 11.745 30.202 243 H VAL 29 HN VAL 29 14.534 14.054 29.445 244 HA VAL 29 HA VAL 29 16.046 14.064 31.890 245 HB VAL 29 HB VAL 29 14.396 16.273 30.582 246 HG11 VAL 29 HG11 VAL 29 16.519 16.518 32.756 247 HG12 VAL 29 HG12 VAL 29 14.790 16.786 32.961 248 HG13 VAL 29 HG13 VAL 29 15.727 17.868 31.935 249 HG21 VAL 29 HG21 VAL 29 16.205 15.424 29.122 250 HG22 VAL 29 HG22 VAL 29 17.388 15.729 30.396 251 HG23 VAL 29 HG23 VAL 29 16.530 17.077 29.647 252 H GLU 30 HN GLU 30 12.540 14.444 31.117 253 HA GLU 30 HA GLU 30 11.964 14.488 34.036 254 HB2 GLU 30 HB2 GLU 30 9.900 15.741 33.553 255 HB3 GLU 30 HB1 GLU 30 11.332 16.582 32.994 256 HG2 GLU 30 HG2 GLU 30 9.830 16.955 31.271 257 HG3 GLU 30 HG1 GLU 30 10.774 15.599 30.669 258 H ALA 31 HN ALA 31 11.764 12.454 31.429 259 HA ALA 31 HA ALA 31 9.885 10.714 32.866 260 HB1 ALA 31 HB1 ALA 31 8.525 11.879 31.155 261 HB2 ALA 31 HB2 ALA 31 8.668 10.157 30.803 262 HB3 ALA 31 HB3 ALA 31 9.636 11.323 29.899 263 H ALA 32 HN ALA 32 12.321 10.226 33.267 264 HA ALA 32 HA ALA 32 14.065 9.266 31.316 265 HB1 ALA 32 HB1 ALA 32 14.770 9.974 33.573 266 HB2 ALA 32 HB2 ALA 32 15.388 8.371 33.171 267 HB3 ALA 32 HB3 ALA 32 14.009 8.537 34.259 268 H ASP 33 HN ASP 33 12.169 7.307 33.615 269 HA ASP 33 HA ASP 33 12.853 4.784 32.515 270 HB2 ASP 33 HB2 ASP 33 12.000 5.013 34.842 271 HB3 ASP 33 HB1 ASP 33 10.411 5.455 34.217 272 H LYS 34 HN LYS 34 9.680 6.504 32.361 273 HA LYS 34 HA LYS 34 8.310 5.156 30.504 274 HB2 LYS 34 HB2 LYS 34 8.453 7.997 31.338 275 HB3 LYS 34 HB1 LYS 34 7.777 7.788 29.739 276 HG2 LYS 34 HG2 LYS 34 6.748 6.414 32.232 277 HG3 LYS 34 HG1 LYS 34 6.054 7.870 31.512 278 HD2 LYS 34 HD2 LYS 34 5.659 6.530 29.395 279 HD3 LYS 34 HD1 LYS 34 6.188 5.092 30.274 280 HE2 LYS 34 HE2 LYS 34 3.753 5.217 30.242 281 HE3 LYS 34 HE1 LYS 34 4.340 5.423 31.893 282 HZ1 LYS 34 HZ1 LYS 34 4.100 7.850 31.566 283 HZ2 LYS 34 HZ2 LYS 34 2.638 7.018 31.456 284 HZ3 LYS 34 HZ3 LYS 34 3.404 7.552 30.052 285 H TYR 35 HN TYR 35 10.843 7.494 29.691 286 HA TYR 35 HA TYR 35 10.400 7.405 26.852 287 HB2 TYR 35 HB2 TYR 35 11.438 9.380 27.908 288 HB3 TYR 35 HB1 TYR 35 12.820 8.415 28.412 289 HD1 TYR 35 HD1 TYR 35 10.987 9.575 25.339 290 HD2 TYR 35 HD2 TYR 35 14.721 8.245 26.956 291 HE1 TYR 35 HE1 TYR 35 12.093 10.080 23.204 292 HE2 TYR 35 HE2 TYR 35 15.824 8.773 24.822 293 HH TYR 35 HH TYR 35 15.160 8.940 22.423 294 H ALA 36 HN ALA 36 12.676 5.899 29.118 295 HA ALA 36 HA ALA 36 14.337 4.567 27.261 296 HB1 ALA 36 HB1 ALA 36 15.006 4.969 29.595 297 HB2 ALA 36 HB2 ALA 36 15.142 3.260 29.181 298 HB3 ALA 36 HB3 ALA 36 13.782 3.828 30.154 299 H GLU 37 HN GLU 37 11.541 3.327 29.130 300 HA GLU 37 HA GLU 37 11.259 0.803 28.086 301 HB2 GLU 37 HB2 GLU 37 9.173 2.782 29.081 302 HB3 GLU 37 HB1 GLU 37 8.789 1.111 28.700 303 HG2 GLU 37 HG2 GLU 37 10.793 1.963 30.802 304 HG3 GLU 37 HG1 GLU 37 9.105 1.597 31.134 305 H LEU 38 HN LEU 38 9.170 3.469 27.220 306 HA LEU 38 HA LEU 38 8.032 2.452 24.961 307 HB2 LEU 38 HB2 LEU 38 8.639 5.375 25.409 308 HB3 LEU 38 HB1 LEU 38 7.432 4.742 24.298 309 HG LEU 38 HG LEU 38 7.370 4.388 27.324 310 HD11 LEU 38 HD11 LEU 38 5.718 6.234 25.589 311 HD12 LEU 38 HD12 LEU 38 6.980 6.707 26.727 312 HD13 LEU 38 HD13 LEU 38 5.500 5.964 27.322 313 HD21 LEU 38 HD21 LEU 38 6.284 2.510 26.171 314 HD22 LEU 38 HD22 LEU 38 5.258 3.638 25.280 315 HD23 LEU 38 HD23 LEU 38 5.115 3.505 27.035 316 H GLU 39 HN GLU 39 11.211 4.084 24.953 317 HA GLU 39 HA GLU 39 11.801 3.798 22.211 318 HB2 GLU 39 HB2 GLU 39 13.566 3.809 24.676 319 HB3 GLU 39 HB1 GLU 39 14.274 3.563 23.080 320 HG2 GLU 39 HG2 GLU 39 12.748 6.009 24.025 321 HG3 GLU 39 HG1 GLU 39 14.484 5.890 23.760 322 H LYS 40 HN LYS 40 12.344 1.547 24.833 323 HA LYS 40 HA LYS 40 13.328 -0.683 23.302 324 HB2 LYS 40 HB2 LYS 40 11.764 -0.880 25.903 325 HB3 LYS 40 HB1 LYS 40 12.669 -2.195 25.159 326 HG2 LYS 40 HG2 LYS 40 14.754 -0.823 25.433 327 HG3 LYS 40 HG1 LYS 40 13.794 0.358 26.326 328 HD2 LYS 40 HD2 LYS 40 14.086 -2.557 27.145 329 HD3 LYS 40 HD1 LYS 40 15.101 -1.257 27.762 330 HE2 LYS 40 HE2 LYS 40 13.435 -1.637 29.411 331 HE3 LYS 40 HE1 LYS 40 12.979 -0.143 28.605 332 HZ1 LYS 40 HZ1 LYS 40 11.795 -2.798 28.001 333 HZ2 LYS 40 HZ2 LYS 40 11.268 -1.303 27.418 334 HZ3 LYS 40 HZ3 LYS 40 11.117 -1.668 29.061 335 H GLU 41 HN GLU 41 9.983 -0.122 24.445 336 HA GLU 41 HA GLU 41 8.594 -2.085 23.129 337 HB2 GLU 41 HB2 GLU 41 7.539 0.746 23.423 338 HB3 GLU 41 HB1 GLU 41 6.626 -0.744 23.400 339 HG2 GLU 41 HG2 GLU 41 8.216 0.483 25.630 340 HG3 GLU 41 HG1 GLU 41 6.553 -0.074 25.637 341 H LYS 42 HN LYS 42 9.557 1.004 21.998 342 HA LYS 42 HA LYS 42 8.454 1.008 19.330 343 HB2 LYS 42 HB2 LYS 42 9.312 3.101 20.283 344 HB3 LYS 42 HB1 LYS 42 10.938 2.440 20.403 345 HG2 LYS 42 HG2 LYS 42 11.015 2.288 17.906 346 HG3 LYS 42 HG1 LYS 42 9.434 3.068 17.833 347 HD2 LYS 42 HD2 LYS 42 11.948 4.279 19.041 348 HD3 LYS 42 HD1 LYS 42 11.313 4.652 17.439 349 HE2 LYS 42 HE2 LYS 42 9.275 5.593 18.434 350 HE3 LYS 42 HE1 LYS 42 9.843 5.171 20.051 351 HZ1 LYS 42 HZ1 LYS 42 10.225 7.493 19.556 352 HZ2 LYS 42 HZ2 LYS 42 11.158 7.088 18.203 353 HZ3 LYS 42 HZ3 LYS 42 11.695 6.688 19.756 354 H ALA 43 HN ALA 43 11.682 0.268 20.551 355 HA ALA 43 HA ALA 43 12.994 -0.622 18.289 356 HB1 ALA 43 HB1 ALA 43 13.521 -1.563 21.120 357 HB2 ALA 43 HB2 ALA 43 14.153 -0.088 20.390 358 HB3 ALA 43 HB3 ALA 43 14.653 -1.663 19.768 359 H THR 44 HN THR 44 11.124 -2.589 20.513 360 HA THR 44 HA THR 44 11.371 -5.114 19.256 361 HB THR 44 HB THR 44 9.134 -4.086 21.072 362 HG1 THR 44 HG1 THR 44 11.569 -5.440 21.698 363 HG21 THR 44 HG21 THR 44 8.750 -6.460 21.668 364 HG22 THR 44 HG22 THR 44 9.986 -6.961 20.512 365 HG23 THR 44 HG23 THR 44 8.497 -6.212 19.939 366 H LEU 45 HN LEU 45 8.648 -2.777 19.246 367 HA LEU 45 HA LEU 45 7.115 -3.832 17.261 368 HB2 LEU 45 HB2 LEU 45 7.619 -0.940 17.918 369 HB3 LEU 45 HB1 LEU 45 6.747 -1.320 16.440 370 HG LEU 45 HG LEU 45 5.848 -2.040 19.264 371 HD11 LEU 45 HD11 LEU 45 3.981 -0.534 18.820 372 HD12 LEU 45 HD12 LEU 45 4.671 -0.125 17.248 373 HD13 LEU 45 HD13 LEU 45 5.525 0.311 18.730 374 HD21 LEU 45 HD21 LEU 45 4.509 -2.687 16.617 375 HD22 LEU 45 HD22 LEU 45 3.814 -2.949 18.217 376 HD23 LEU 45 HD23 LEU 45 5.241 -3.853 17.728 377 H GLU 46 HN GLU 46 10.029 -1.847 16.703 378 HA GLU 46 HA GLU 46 10.040 -1.861 13.917 379 HB2 GLU 46 HB2 GLU 46 12.437 -1.820 15.793 380 HB3 GLU 46 HB1 GLU 46 12.474 -1.388 14.088 381 HG2 GLU 46 HG2 GLU 46 10.916 0.518 14.593 382 HG3 GLU 46 HG1 GLU 46 11.018 0.101 16.295 383 H ALA 47 HN ALA 47 12.342 -3.806 15.867 384 HA ALA 47 HA ALA 47 13.205 -5.805 14.499 385 HB1 ALA 47 HB1 ALA 47 13.479 -5.639 16.937 386 HB2 ALA 47 HB2 ALA 47 13.107 -7.292 16.446 387 HB3 ALA 47 HB3 ALA 47 11.851 -6.285 17.170 388 H GLU 48 HN GLU 48 9.960 -6.197 15.880 389 HA GLU 48 HA GLU 48 9.115 -8.511 14.600 390 HB2 GLU 48 HB2 GLU 48 8.053 -7.624 16.633 391 HB3 GLU 48 HB1 GLU 48 7.599 -6.151 15.795 392 HG2 GLU 48 HG2 GLU 48 5.593 -7.307 15.919 393 HG3 GLU 48 HG1 GLU 48 6.147 -7.666 14.290 394 H ILE 49 HN ILE 49 7.805 -5.311 14.024 395 HA ILE 49 HA ILE 49 6.310 -5.942 11.781 396 HB ILE 49 HB ILE 49 6.044 -3.603 11.127 397 HG12 ILE 49 HG12 ILE 49 8.383 -3.017 12.998 398 HG13 ILE 49 HG11 ILE 49 8.342 -2.765 11.264 399 HG21 ILE 49 HG21 ILE 49 4.777 -4.412 13.074 400 HG22 ILE 49 HG22 ILE 49 5.145 -2.697 13.229 401 HG23 ILE 49 HG23 ILE 49 6.071 -3.882 14.155 402 HD11 ILE 49 HD11 ILE 49 6.734 -1.257 13.312 403 HD12 ILE 49 HD12 ILE 49 6.698 -0.981 11.567 404 HD13 ILE 49 HD13 ILE 49 8.177 -0.687 12.481 405 H ALA 50 HN ALA 50 9.710 -4.709 11.628 406 HA ALA 50 HA ALA 50 10.059 -4.948 8.859 407 HB1 ALA 50 HB1 ALA 50 12.135 -5.098 11.064 408 HB2 ALA 50 HB2 ALA 50 11.509 -3.620 10.334 409 HB3 ALA 50 HB3 ALA 50 12.447 -4.753 9.360 410 H ARG 51 HN ARG 51 10.700 -7.248 11.429 411 HA ARG 51 HA ARG 51 11.774 -9.423 9.961 412 HB2 ARG 51 HB2 ARG 51 11.454 -9.302 12.536 413 HB3 ARG 51 HB1 ARG 51 9.828 -9.901 12.252 414 HG2 ARG 51 HG2 ARG 51 11.131 -11.819 12.793 415 HG3 ARG 51 HG1 ARG 51 10.897 -11.886 11.043 416 HD2 ARG 51 HD2 ARG 51 13.169 -10.741 10.821 417 HD3 ARG 51 HD1 ARG 51 13.369 -11.023 12.555 418 HE ARG 51 HE ARG 51 12.775 -13.303 10.830 419 HH11 ARG 51 HH11 ARG 51 15.145 -11.676 12.844 420 HH12 ARG 51 HH12 ARG 51 16.300 -12.962 12.706 421 HH21 ARG 51 HH21 ARG 51 14.291 -14.947 10.645 422 HH22 ARG 51 HH22 ARG 51 15.821 -14.807 11.456 423 H LEU 52 HN LEU 52 8.399 -8.895 10.811 424 HA LEU 52 HA LEU 52 7.116 -10.674 9.140 425 HB2 LEU 52 HB2 LEU 52 6.108 -7.910 9.918 426 HB3 LEU 52 HB1 LEU 52 5.117 -9.242 9.337 427 HG LEU 52 HG LEU 52 6.561 -9.043 12.004 428 HD11 LEU 52 HD11 LEU 52 4.317 -9.289 12.981 429 HD12 LEU 52 HD12 LEU 52 3.616 -9.302 11.360 430 HD13 LEU 52 HD13 LEU 52 4.444 -7.860 11.953 431 HD21 LEU 52 HD21 LEU 52 5.176 -11.493 10.857 432 HD22 LEU 52 HD22 LEU 52 5.674 -11.305 12.541 433 HD23 LEU 52 HD23 LEU 52 6.892 -11.327 11.266 434 H ARG 53 HN ARG 53 8.451 -7.477 8.429 435 HA ARG 53 HA ARG 53 7.514 -7.458 5.687 436 HB2 ARG 53 HB2 ARG 53 9.096 -5.493 7.334 437 HB3 ARG 53 HB1 ARG 53 8.926 -5.294 5.596 438 HG2 ARG 53 HG2 ARG 53 6.480 -5.106 5.829 439 HG3 ARG 53 HG1 ARG 53 6.610 -5.351 7.575 440 HD2 ARG 53 HD2 ARG 53 6.388 -2.955 6.991 441 HD3 ARG 53 HD1 ARG 53 7.925 -3.286 7.795 442 HE ARG 53 HE ARG 53 7.520 -2.684 4.929 443 HH11 ARG 53 HH11 ARG 53 9.757 -2.994 7.622 444 HH12 ARG 53 HH12 ARG 53 11.107 -2.387 6.722 445 HH21 ARG 53 HH21 ARG 53 9.300 -1.907 3.768 446 HH22 ARG 53 HH22 ARG 53 10.844 -1.758 4.543 447 H GLU 54 HN GLU 54 10.258 -8.918 7.165 448 HA GLU 54 HA GLU 54 11.649 -8.953 4.557 449 HB2 GLU 54 HB2 GLU 54 13.461 -10.092 5.539 450 HB3 GLU 54 HB1 GLU 54 12.970 -8.927 6.757 451 HG2 GLU 54 HG2 GLU 54 11.798 -10.761 7.964 452 HG3 GLU 54 HG1 GLU 54 12.386 -11.897 6.758 453 H VAL 55 HN VAL 55 9.448 -10.758 6.461 454 HA VAL 55 HA VAL 55 9.303 -13.066 4.634 455 HB VAL 55 HB VAL 55 7.292 -12.253 6.797 456 HG11 VAL 55 HG11 VAL 55 6.610 -14.635 6.764 457 HG12 VAL 55 HG12 VAL 55 7.756 -14.943 5.454 458 HG13 VAL 55 HG13 VAL 55 6.382 -13.869 5.190 459 HG21 VAL 55 HG21 VAL 55 9.502 -12.535 7.839 460 HG22 VAL 55 HG22 VAL 55 9.688 -14.116 7.081 461 HG23 VAL 55 HG23 VAL 55 8.440 -13.864 8.304 462 H HIS 56 HN HIS 56 8.091 -9.897 5.048 463 HA HIS 56 HA HIS 56 6.292 -10.095 2.704 464 HB2 HIS 56 HB2 HIS 56 6.155 -8.344 5.118 465 HB3 HIS 56 HB1 HIS 56 5.804 -7.531 3.608 466 HD1 HIS 56 HD1 HIS 56 3.545 -7.963 2.546 467 HD2 HIS 56 HD2 HIS 56 4.276 -10.384 5.847 468 HE1 HIS 56 HE1 HIS 56 1.327 -8.987 3.134 469 HE2 HIS 56 HE2 HIS 56 1.838 -10.568 5.021 470 H SER 57 HN SER 57 9.368 -9.858 2.925 471 HA SER 57 HA SER 57 9.569 -7.754 0.829 472 HB2 SER 57 HB2 SER 57 11.160 -7.417 2.739 473 HB3 SER 57 HB1 SER 57 11.852 -9.005 2.428 474 HG SER 57 HG SER 57 11.743 -7.245 0.270 475 H GLN 58 HN GLN 58 10.705 -10.977 1.800 476 HA GLN 58 HA GLN 58 11.325 -11.994 -0.760 477 HB2 GLN 58 HB2 GLN 58 10.313 -13.492 1.705 478 HB3 GLN 58 HB1 GLN 58 11.171 -14.215 0.343 479 HG2 GLN 58 HG2 GLN 58 13.215 -13.083 0.916 480 HG3 GLN 58 HG1 GLN 58 12.389 -12.039 2.070 481 HE21 GLN 58 HE21 GLN 58 13.628 -12.554 3.808 482 HE22 GLN 58 HE22 GLN 58 13.629 -14.104 4.570 483 H LYS 59 HN LYS 59 8.326 -11.702 1.080 484 HA LYS 59 HA LYS 59 6.757 -12.231 -1.356 485 HB2 LYS 59 HB2 LYS 59 6.242 -13.195 1.465 486 HB3 LYS 59 HB1 LYS 59 4.868 -12.809 0.458 487 HG2 LYS 59 HG2 LYS 59 5.181 -15.161 0.334 488 HG3 LYS 59 HG1 LYS 59 5.691 -14.496 -1.214 489 HD2 LYS 59 HD2 LYS 59 7.210 -16.275 -0.468 490 HD3 LYS 59 HD1 LYS 59 8.054 -14.732 -0.556 491 HE2 LYS 59 HE2 LYS 59 7.917 -14.486 1.881 492 HE3 LYS 59 HE1 LYS 59 6.975 -15.976 2.002 493 HZ1 LYS 59 HZ1 LYS 59 9.769 -15.769 1.019 494 HZ2 LYS 59 HZ2 LYS 59 8.873 -17.194 1.143 495 HZ3 LYS 59 HZ3 LYS 59 9.290 -16.341 2.539 496 H LEU 60 HN LEU 60 7.101 -9.883 -1.715 497 HA LEU 60 HA LEU 60 6.644 -7.819 0.056 498 HB2 LEU 60 HB2 LEU 60 7.582 -7.593 -2.299 499 HB3 LEU 60 HB1 LEU 60 5.942 -7.620 -2.908 500 HG LEU 60 HG LEU 60 6.866 -5.468 -0.949 501 HD11 LEU 60 HD11 LEU 60 7.331 -3.923 -2.812 502 HD12 LEU 60 HD12 LEU 60 7.045 -5.230 -3.971 503 HD13 LEU 60 HD13 LEU 60 8.405 -5.325 -2.852 504 HD21 LEU 60 HD21 LEU 60 4.433 -5.594 -1.224 505 HD22 LEU 60 HD22 LEU 60 4.598 -5.432 -2.974 506 HD23 LEU 60 HD23 LEU 60 5.054 -4.095 -1.913 507 H SER 61 HN SER 61 4.260 -8.821 -2.362 508 HA SER 61 HA SER 61 2.054 -8.850 -0.499 509 HB2 SER 61 HB2 SER 61 2.260 -6.395 -1.170 510 HB3 SER 61 HB1 SER 61 1.955 -6.876 -2.840 511 HG SER 61 HG SER 61 0.207 -6.459 -0.834 512 H LYS 62 HN LYS 62 -0.027 -9.025 -2.370 513 HA LYS 62 HA LYS 62 0.342 -11.678 -3.290 514 HB2 LYS 62 HB2 LYS 62 -1.906 -9.755 -4.021 515 HB3 LYS 62 HB1 LYS 62 -1.946 -11.504 -4.211 516 HG2 LYS 62 HG2 LYS 62 -1.872 -11.796 -1.772 517 HG3 LYS 62 HG1 LYS 62 -1.732 -10.050 -1.553 518 HD2 LYS 62 HD2 LYS 62 -4.043 -10.792 -1.127 519 HD3 LYS 62 HD1 LYS 62 -3.981 -9.730 -2.537 520 HE2 LYS 62 HE2 LYS 62 -5.475 -11.644 -2.944 521 HE3 LYS 62 HE1 LYS 62 -4.085 -11.706 -4.027 522 HZ1 LYS 62 HZ1 LYS 62 -3.068 -13.306 -2.460 523 HZ2 LYS 62 HZ2 LYS 62 -4.491 -13.871 -3.166 524 HZ3 LYS 62 HZ3 LYS 62 -4.505 -13.316 -1.570 525 H GLU 63 HN GLU 63 -0.955 -9.301 -5.496 526 HA GLU 63 HA GLU 63 -0.096 -10.201 -7.935 527 HB2 GLU 63 HB2 GLU 63 -1.730 -8.321 -7.628 528 HB3 GLU 63 HB1 GLU 63 -0.414 -7.260 -7.182 529 HG2 GLU 63 HG2 GLU 63 -1.189 -6.894 -9.503 530 HG3 GLU 63 HG1 GLU 63 0.508 -7.377 -9.432 531 H ALA 64 HN ALA 64 1.610 -7.923 -5.795 532 HA ALA 64 HA ALA 64 3.732 -7.179 -7.465 533 HB1 ALA 64 HB1 ALA 64 3.749 -7.398 -4.432 534 HB2 ALA 64 HB2 ALA 64 3.168 -6.016 -5.361 535 HB3 ALA 64 HB3 ALA 64 4.874 -6.457 -5.415 536 H GLN 65 HN GLN 65 3.861 -9.582 -4.779 537 HA GLN 65 HA GLN 65 6.440 -10.619 -5.275 538 HB2 GLN 65 HB2 GLN 65 4.884 -11.136 -3.297 539 HB3 GLN 65 HB1 GLN 65 4.125 -12.340 -4.314 540 HG2 GLN 65 HG2 GLN 65 7.066 -12.368 -3.564 541 HG3 GLN 65 HG1 GLN 65 5.818 -13.180 -2.642 542 HE21 GLN 65 HE21 GLN 65 7.887 -13.332 -5.365 543 HE22 GLN 65 HE22 GLN 65 7.433 -14.909 -5.907 544 H LYS 66 HN LYS 66 3.276 -11.793 -6.698 545 HA LYS 66 HA LYS 66 4.220 -13.723 -8.382 546 HB2 LYS 66 HB2 LYS 66 1.865 -13.358 -7.878 547 HB3 LYS 66 HB1 LYS 66 1.877 -11.822 -8.734 548 HG2 LYS 66 HG2 LYS 66 2.019 -12.880 -10.860 549 HG3 LYS 66 HG1 LYS 66 2.485 -14.425 -10.150 550 HD2 LYS 66 HD2 LYS 66 0.165 -14.591 -10.856 551 HD3 LYS 66 HD1 LYS 66 0.208 -14.582 -9.093 552 HE2 LYS 66 HE2 LYS 66 -1.613 -13.187 -9.811 553 HE3 LYS 66 HE1 LYS 66 -0.358 -12.141 -9.146 554 HZ1 LYS 66 HZ1 LYS 66 0.318 -11.552 -11.347 555 HZ2 LYS 66 HZ2 LYS 66 -1.348 -11.319 -11.214 556 HZ3 LYS 66 HZ3 LYS 66 -0.757 -12.671 -12.033 557 H LEU 67 HN LEU 67 3.705 -10.288 -9.315 558 HA LEU 67 HA LEU 67 4.752 -10.161 -11.789 559 HB2 LEU 67 HB2 LEU 67 5.387 -8.141 -9.590 560 HB3 LEU 67 HB1 LEU 67 5.610 -7.863 -11.307 561 HG LEU 67 HG LEU 67 2.963 -8.180 -9.848 562 HD11 LEU 67 HD11 LEU 67 4.098 -5.794 -11.341 563 HD12 LEU 67 HD12 LEU 67 3.997 -5.959 -9.588 564 HD13 LEU 67 HD13 LEU 67 2.523 -5.873 -10.547 565 HD21 LEU 67 HD21 LEU 67 2.812 -9.287 -12.042 566 HD22 LEU 67 HD22 LEU 67 3.371 -7.806 -12.825 567 HD23 LEU 67 HD23 LEU 67 1.825 -7.827 -11.975 568 H MET 68 HN MET 68 6.691 -9.903 -8.919 569 HA MET 68 HA MET 68 9.236 -10.138 -9.903 570 HB2 MET 68 HB2 MET 68 8.329 -11.266 -7.233 571 HB3 MET 68 HB1 MET 68 9.987 -10.859 -7.672 572 HG2 MET 68 HG2 MET 68 9.236 -8.499 -8.032 573 HG3 MET 68 HG1 MET 68 7.660 -8.950 -7.391 574 HE1 MET 68 HE1 MET 68 9.187 -6.770 -4.530 575 HE2 MET 68 HE2 MET 68 7.786 -7.022 -5.565 576 HE3 MET 68 HE3 MET 68 9.325 -6.529 -6.273 577 H LYS 69 HN LYS 69 7.182 -13.059 -9.058 578 HA LYS 69 HA LYS 69 9.220 -14.746 -10.334 579 HB2 LYS 69 HB2 LYS 69 7.905 -16.617 -9.428 580 HB3 LYS 69 HB1 LYS 69 8.251 -15.436 -8.170 581 HG2 LYS 69 HG2 LYS 69 5.964 -14.535 -8.374 582 HG3 LYS 69 HG1 LYS 69 5.615 -15.698 -9.654 583 HD2 LYS 69 HD2 LYS 69 5.969 -17.555 -8.027 584 HD3 LYS 69 HD1 LYS 69 6.258 -16.359 -6.756 585 HE2 LYS 69 HE2 LYS 69 3.966 -15.474 -7.076 586 HE3 LYS 69 HE1 LYS 69 3.677 -16.674 -8.338 587 HZ1 LYS 69 HZ1 LYS 69 2.743 -17.338 -6.222 588 HZ2 LYS 69 HZ2 LYS 69 4.265 -17.262 -5.493 589 HZ3 LYS 69 HZ3 LYS 69 3.962 -18.409 -6.693 590 H MET 70 HN MET 70 7.307 -12.888 -11.949 591 HA MET 70 HA MET 70 5.528 -14.456 -13.457 592 HB2 MET 70 HB2 MET 70 6.970 -11.874 -14.065 593 HB3 MET 70 HB1 MET 70 6.061 -12.667 -15.347 594 HG2 MET 70 HG2 MET 70 4.903 -11.787 -12.702 595 HG3 MET 70 HG1 MET 70 4.783 -10.907 -14.220 596 HE1 MET 70 HE1 MET 70 2.214 -10.754 -14.481 597 HE2 MET 70 HE2 MET 70 2.116 -11.333 -12.812 598 HE3 MET 70 HE3 MET 70 1.113 -12.071 -14.062 599 HA PRO 71 HA PRO 71 8.279 -16.867 -16.121 600 HB2 PRO 71 HB2 PRO 71 6.432 -17.538 -18.073 601 HB3 PRO 71 HB1 PRO 71 6.564 -18.363 -16.517 602 HG2 PRO 71 HG2 PRO 71 4.665 -16.194 -17.370 603 HG3 PRO 71 HG1 PRO 71 4.333 -17.665 -16.431 604 HD2 PRO 71 HD2 PRO 71 4.613 -15.243 -15.253 605 HD3 PRO 71 HD1 PRO 71 5.147 -16.738 -14.453 606 H PHE 72 HN PHE 72 6.003 -14.841 -18.041 607 HA PHE 72 HA PHE 72 8.184 -14.248 -19.995 608 HB2 PHE 72 HB2 PHE 72 5.140 -14.076 -20.339 609 HB3 PHE 72 HB1 PHE 72 6.309 -13.710 -21.592 610 HD1 PHE 72 HD1 PHE 72 7.756 -15.603 -22.516 611 HD2 PHE 72 HD2 PHE 72 4.414 -16.318 -19.943 612 HE1 PHE 72 HE1 PHE 72 7.702 -17.955 -23.234 613 HE2 PHE 72 HE2 PHE 72 4.361 -18.668 -20.668 614 HZ PHE 72 HZ PHE 72 6.006 -19.492 -22.314 615 H GLN 73 HN GLN 73 9.007 -11.901 -19.658 616 HA GLN 73 HA GLN 73 7.248 -9.907 -18.875 617 HB2 GLN 73 HB2 GLN 73 7.572 -9.577 -16.575 618 HB3 GLN 73 HB1 GLN 73 7.377 -11.315 -16.681 619 HG2 GLN 73 HG2 GLN 73 10.070 -9.928 -16.454 620 HG3 GLN 73 HG1 GLN 73 9.136 -10.493 -15.078 621 HE21 GLN 73 HE21 GLN 73 10.679 -11.933 -14.374 622 HE22 GLN 73 HE22 GLN 73 11.090 -13.378 -15.217 623 H ARG 74 HN ARG 74 8.469 -8.021 -18.081 624 HA ARG 74 HA ARG 74 11.236 -7.512 -18.480 625 HB2 ARG 74 HB2 ARG 74 11.415 -6.526 -20.718 626 HB3 ARG 74 HB1 ARG 74 10.838 -8.183 -20.834 627 HG2 ARG 74 HG2 ARG 74 8.512 -7.319 -21.153 628 HG3 ARG 74 HG1 ARG 74 9.144 -5.670 -21.128 629 HD2 ARG 74 HD2 ARG 74 10.616 -6.290 -23.075 630 HD3 ARG 74 HD1 ARG 74 9.778 -7.839 -23.148 631 HE ARG 74 HE ARG 74 8.400 -5.241 -23.493 632 HH11 ARG 74 HH11 ARG 74 8.857 -8.566 -24.505 633 HH12 ARG 74 HH12 ARG 74 7.814 -8.412 -25.880 634 HH21 ARG 74 HH21 ARG 74 7.060 -5.055 -25.329 635 HH22 ARG 74 HH22 ARG 74 6.827 -6.426 -26.362 636 H ALA 75 HN ALA 75 11.552 -4.934 -19.411 637 HA ALA 75 HA ALA 75 9.366 -3.300 -18.340 638 HB1 ALA 75 HB1 ALA 75 12.355 -2.684 -18.339 639 HB2 ALA 75 HB2 ALA 75 11.371 -3.018 -16.914 640 HB3 ALA 75 HB3 ALA 75 11.083 -1.555 -17.856 641 H ILE 76 HN ILE 76 8.595 -1.813 -20.056 642 HA ILE 76 HA ILE 76 9.028 -3.120 -22.603 643 HB ILE 76 HB ILE 76 7.140 -0.820 -21.873 644 HG12 ILE 76 HG12 ILE 76 6.716 -2.785 -20.375 645 HG13 ILE 76 HG11 ILE 76 5.358 -2.457 -21.451 646 HG21 ILE 76 HG21 ILE 76 7.461 -1.100 -24.287 647 HG22 ILE 76 HG22 ILE 76 5.817 -1.524 -23.819 648 HG23 ILE 76 HG23 ILE 76 6.983 -2.800 -24.177 649 HD11 ILE 76 HD11 ILE 76 5.745 -4.841 -21.224 650 HD12 ILE 76 HD12 ILE 76 7.399 -4.662 -21.808 651 HD13 ILE 76 HD13 ILE 76 6.039 -4.332 -22.886 652 H THR 77 HN THR 77 10.145 -2.177 -24.309 653 HA THR 77 HA THR 77 11.704 0.223 -23.898 654 HB THR 77 HB THR 77 12.561 -0.246 -26.224 655 HG1 THR 77 HG1 THR 77 11.461 -2.738 -26.421 656 HG21 THR 77 HG21 THR 77 12.611 -2.651 -24.370 657 HG22 THR 77 HG22 THR 77 13.710 -1.271 -24.294 658 HG23 THR 77 HG23 THR 77 13.740 -2.349 -25.690 659 H LYS 78 HN LYS 78 11.702 2.054 -25.345 660 HA LYS 78 HA LYS 78 9.241 3.261 -25.944 661 HB2 LYS 78 HB2 LYS 78 11.996 3.832 -27.109 662 HB3 LYS 78 HB1 LYS 78 10.607 4.895 -27.304 663 HG2 LYS 78 HG2 LYS 78 10.537 5.299 -24.897 664 HG3 LYS 78 HG1 LYS 78 11.848 4.150 -24.640 665 HD2 LYS 78 HD2 LYS 78 12.712 6.435 -24.509 666 HD3 LYS 78 HD1 LYS 78 13.391 5.630 -25.920 667 HE2 LYS 78 HE2 LYS 78 10.961 7.416 -26.164 668 HE3 LYS 78 HE1 LYS 78 12.583 8.097 -26.151 669 HZ1 LYS 78 HZ1 LYS 78 11.452 6.199 -28.139 670 HZ2 LYS 78 HZ2 LYS 78 13.085 6.640 -28.088 671 HZ3 LYS 78 HZ3 LYS 78 11.899 7.811 -28.394 672 H LYS 79 HN LYS 79 11.163 1.136 -27.779 673 HA LYS 79 HA LYS 79 10.088 1.299 -30.403 674 HB2 LYS 79 HB2 LYS 79 11.021 -1.227 -28.981 675 HB3 LYS 79 HB1 LYS 79 10.826 -1.034 -30.722 676 HG2 LYS 79 HG2 LYS 79 12.658 0.615 -30.755 677 HG3 LYS 79 HG1 LYS 79 12.832 0.458 -29.002 678 HD2 LYS 79 HD2 LYS 79 14.526 -0.923 -30.043 679 HD3 LYS 79 HD1 LYS 79 13.315 -1.981 -29.309 680 HE2 LYS 79 HE2 LYS 79 12.259 -2.273 -31.549 681 HE3 LYS 79 HE1 LYS 79 13.537 -1.283 -32.258 682 HZ1 LYS 79 HZ1 LYS 79 15.146 -2.939 -31.447 683 HZ2 LYS 79 HZ2 LYS 79 14.046 -3.585 -32.553 684 HZ3 LYS 79 HZ3 LYS 79 13.866 -3.901 -30.904 685 H GLU 80 HN GLU 80 9.135 -0.751 -27.644 686 HA GLU 80 HA GLU 80 6.765 -1.771 -29.008 687 HB2 GLU 80 HB2 GLU 80 8.096 -2.381 -26.350 688 HB3 GLU 80 HB1 GLU 80 6.518 -3.039 -26.769 689 HG2 GLU 80 HG2 GLU 80 9.044 -3.464 -28.403 690 HG3 GLU 80 HG1 GLU 80 8.419 -4.602 -27.211 691 H GLN 81 HN GLN 81 7.521 0.852 -26.755 692 HA GLN 81 HA GLN 81 4.834 1.452 -26.207 693 HB2 GLN 81 HB2 GLN 81 7.325 3.186 -26.219 694 HB3 GLN 81 HB1 GLN 81 5.756 3.731 -25.629 695 HG2 GLN 81 HG2 GLN 81 5.784 2.166 -23.810 696 HG3 GLN 81 HG1 GLN 81 7.149 1.285 -24.497 697 HE21 GLN 81 HE21 GLN 81 8.327 1.519 -22.570 698 HE22 GLN 81 HE22 GLN 81 9.060 3.018 -22.120 699 H ALA 82 HN ALA 82 6.925 2.395 -28.860 700 HA ALA 82 HA ALA 82 5.087 3.845 -30.377 701 HB1 ALA 82 HB1 ALA 82 6.509 3.400 -32.335 702 HB2 ALA 82 HB2 ALA 82 7.330 2.106 -31.458 703 HB3 ALA 82 HB3 ALA 82 7.492 3.775 -30.916 704 H ASP 83 HN ASP 83 5.729 0.385 -30.304 705 HA ASP 83 HA ASP 83 3.344 -0.202 -31.936 706 HB2 ASP 83 HB2 ASP 83 5.693 -1.990 -31.135 707 HB3 ASP 83 HB1 ASP 83 4.319 -2.510 -32.110 708 H MET 84 HN MET 84 3.184 0.769 -29.186 709 HA MET 84 HA MET 84 2.631 -1.163 -27.282 710 HB2 MET 84 HB2 MET 84 2.131 1.691 -27.572 711 HB3 MET 84 HB1 MET 84 0.677 0.944 -26.925 712 HG2 MET 84 HG2 MET 84 3.446 0.911 -25.740 713 HG3 MET 84 HG1 MET 84 1.983 1.626 -25.062 714 HE1 MET 84 HE1 MET 84 3.093 0.165 -22.860 715 HE2 MET 84 HE2 MET 84 4.235 -0.616 -23.962 716 HE3 MET 84 HE3 MET 84 3.204 -1.599 -22.922 717 H GLY 85 HN GLY 85 0.604 0.052 -29.881 718 HA2 GLY 85 HA2 GLY 85 -1.871 -0.985 -29.039 719 HA3 GLY 85 HA1 GLY 85 -1.422 -0.535 -30.679 720 H LYS 86 HN LYS 86 0.670 -2.316 -31.277 721 HA LYS 86 HA LYS 86 -0.758 -4.669 -31.960 722 HB2 LYS 86 HB2 LYS 86 0.928 -3.768 -33.446 723 HB3 LYS 86 HB1 LYS 86 2.144 -3.760 -32.189 724 HG2 LYS 86 HG2 LYS 86 0.996 -6.400 -33.077 725 HG3 LYS 86 HG1 LYS 86 2.148 -5.584 -34.126 726 HD2 LYS 86 HD2 LYS 86 2.661 -6.391 -31.238 727 HD3 LYS 86 HD1 LYS 86 3.232 -7.266 -32.659 728 HE2 LYS 86 HE2 LYS 86 4.662 -5.396 -33.290 729 HE3 LYS 86 HE1 LYS 86 3.992 -4.394 -32.002 730 HZ1 LYS 86 HZ1 LYS 86 6.162 -5.325 -31.420 731 HZ2 LYS 86 HZ2 LYS 86 5.545 -6.891 -31.577 732 HZ3 LYS 86 HZ3 LYS 86 4.959 -5.868 -30.366 733 H LEU 87 HN LEU 87 2.230 -4.237 -29.910 734 HA LEU 87 HA LEU 87 2.516 -6.278 -28.448 735 HB2 LEU 87 HB2 LEU 87 3.711 -4.228 -28.024 736 HB3 LEU 87 HB1 LEU 87 2.283 -3.477 -27.338 737 HG LEU 87 HG LEU 87 2.395 -5.072 -25.412 738 HD11 LEU 87 HD11 LEU 87 5.025 -5.989 -26.621 739 HD12 LEU 87 HD12 LEU 87 3.547 -6.953 -26.495 740 HD13 LEU 87 HD13 LEU 87 4.391 -6.440 -25.036 741 HD21 LEU 87 HD21 LEU 87 3.422 -2.849 -25.226 742 HD22 LEU 87 HD22 LEU 87 4.950 -3.488 -25.834 743 HD23 LEU 87 HD23 LEU 87 4.310 -4.045 -24.284 744 H LYS 88 HN LYS 88 -0.395 -4.242 -27.759 745 HA LYS 88 HA LYS 88 -0.847 -5.776 -25.266 746 HB2 LYS 88 HB2 LYS 88 -1.774 -3.024 -26.202 747 HB3 LYS 88 HB1 LYS 88 -2.512 -3.833 -24.820 748 HG2 LYS 88 HG2 LYS 88 -0.277 -3.914 -23.696 749 HG3 LYS 88 HG1 LYS 88 0.415 -3.054 -25.079 750 HD2 LYS 88 HD2 LYS 88 0.038 -1.418 -23.366 751 HD3 LYS 88 HD1 LYS 88 -1.193 -1.152 -24.599 752 HE2 LYS 88 HE2 LYS 88 -2.800 -2.466 -23.176 753 HE3 LYS 88 HE1 LYS 88 -1.562 -2.536 -21.921 754 HZ1 LYS 88 HZ1 LYS 88 -1.568 -0.086 -21.915 755 HZ2 LYS 88 HZ2 LYS 88 -3.057 -0.746 -21.471 756 HZ3 LYS 88 HZ3 LYS 88 -2.848 -0.097 -23.016 757 H LYS 89 HN LYS 89 -2.124 -4.921 -28.437 758 HA LYS 89 HA LYS 89 -4.698 -5.891 -28.568 759 HB2 LYS 89 HB2 LYS 89 -3.518 -4.789 -30.421 760 HB3 LYS 89 HB1 LYS 89 -2.428 -6.154 -30.581 761 HG2 LYS 89 HG2 LYS 89 -4.492 -7.541 -31.223 762 HG3 LYS 89 HG1 LYS 89 -5.356 -6.012 -31.316 763 HD2 LYS 89 HD2 LYS 89 -4.596 -6.676 -33.555 764 HD3 LYS 89 HD1 LYS 89 -3.741 -5.218 -33.048 765 HE2 LYS 89 HE2 LYS 89 -1.747 -6.508 -32.520 766 HE3 LYS 89 HE1 LYS 89 -2.593 -8.029 -32.807 767 HZ1 LYS 89 HZ1 LYS 89 -1.175 -7.394 -34.659 768 HZ2 LYS 89 HZ2 LYS 89 -2.039 -5.963 -34.858 769 HZ3 LYS 89 HZ3 LYS 89 -2.796 -7.442 -35.128 770 H SER 90 HN SER 90 -1.972 -7.787 -27.796 771 HA SER 90 HA SER 90 -3.039 -10.240 -29.018 772 HB2 SER 90 HB2 SER 90 -0.217 -9.561 -28.092 773 HB3 SER 90 HB1 SER 90 -0.711 -11.004 -28.974 774 HG SER 90 HG SER 90 -0.617 -8.330 -29.860 775 H VAL 91 HN VAL 91 -1.342 -9.131 -26.132 776 HA VAL 91 HA VAL 91 -1.179 -11.651 -24.870 777 HB VAL 91 HB VAL 91 -1.024 -9.146 -23.185 778 HG11 VAL 91 HG11 VAL 91 0.772 -11.595 -23.327 779 HG12 VAL 91 HG12 VAL 91 -0.509 -11.319 -22.147 780 HG13 VAL 91 HG13 VAL 91 0.914 -10.275 -22.157 781 HG21 VAL 91 HG21 VAL 91 0.020 -8.390 -25.243 782 HG22 VAL 91 HG22 VAL 91 1.043 -9.823 -25.293 783 HG23 VAL 91 HG23 VAL 91 1.257 -8.633 -24.009 784 H ARG 92 HN ARG 92 -3.891 -9.630 -25.096 785 HA ARG 92 HA ARG 92 -5.919 -9.431 -24.155 786 HB2 ARG 92 HB2 ARG 92 -6.068 -11.899 -24.137 787 HB3 ARG 92 HB1 ARG 92 -5.182 -11.967 -22.620 788 HG2 ARG 92 HG2 ARG 92 -7.127 -10.631 -21.591 789 HG3 ARG 92 HG1 ARG 92 -8.013 -10.970 -23.079 790 HD2 ARG 92 HD2 ARG 92 -8.612 -12.591 -21.341 791 HD3 ARG 92 HD1 ARG 92 -7.754 -13.404 -22.655 792 HE ARG 92 HE ARG 92 -5.707 -12.973 -21.058 793 HH11 ARG 92 HH11 ARG 92 -8.915 -14.034 -20.065 794 HH12 ARG 92 HH12 ARG 92 -8.317 -14.924 -18.703 795 HH21 ARG 92 HH21 ARG 92 -4.960 -14.102 -19.258 796 HH22 ARG 92 HH22 ARG 92 -6.082 -14.935 -18.229 797 H GLY 93 HN GLY 93 -4.272 -10.768 -21.284 798 HA2 GLY 93 HA2 GLY 93 -4.278 -8.089 -19.991 799 HA3 GLY 93 HA1 GLY 93 -4.316 -9.628 -19.125 800 H LEU 94 HN LEU 94 -2.155 -7.352 -19.018 801 HA LEU 94 HA LEU 94 0.238 -8.653 -19.370 802 HB2 LEU 94 HB2 LEU 94 0.162 -8.234 -21.757 803 HB3 LEU 94 HB1 LEU 94 -0.727 -6.737 -21.557 804 HG LEU 94 HG LEU 94 1.318 -5.623 -20.700 805 HD11 LEU 94 HD11 LEU 94 2.779 -8.217 -21.272 806 HD12 LEU 94 HD12 LEU 94 2.459 -7.539 -19.672 807 HD13 LEU 94 HD13 LEU 94 3.517 -6.686 -20.792 808 HD21 LEU 94 HD21 LEU 94 1.743 -6.971 -23.382 809 HD22 LEU 94 HD22 LEU 94 2.575 -5.525 -22.810 810 HD23 LEU 94 HD23 LEU 94 0.838 -5.482 -23.090 811 H VAL 95 HN VAL 95 1.686 -6.869 -18.181 812 HA VAL 95 HA VAL 95 -0.210 -5.327 -16.522 813 HB VAL 95 HB VAL 95 1.985 -7.056 -15.273 814 HG11 VAL 95 HG11 VAL 95 -0.238 -5.409 -14.005 815 HG12 VAL 95 HG12 VAL 95 1.477 -5.002 -14.021 816 HG13 VAL 95 HG13 VAL 95 0.920 -6.416 -13.125 817 HG21 VAL 95 HG21 VAL 95 0.179 -8.493 -14.375 818 HG22 VAL 95 HG22 VAL 95 0.214 -8.527 -16.137 819 HG23 VAL 95 HG23 VAL 95 -1.013 -7.574 -15.301 820 H VAL 96 HN VAL 96 0.605 -3.628 -17.766 821 HA VAL 96 HA VAL 96 3.375 -2.807 -17.572 822 HB VAL 96 HB VAL 96 0.975 -1.244 -18.646 823 HG11 VAL 96 HG11 VAL 96 2.649 0.120 -19.886 824 HG12 VAL 96 HG12 VAL 96 3.949 -0.760 -19.072 825 HG13 VAL 96 HG13 VAL 96 2.850 0.255 -18.134 826 HG21 VAL 96 HG21 VAL 96 2.978 -2.947 -20.192 827 HG22 VAL 96 HG22 VAL 96 1.715 -1.943 -20.917 828 HG23 VAL 96 HG23 VAL 96 1.277 -3.335 -19.920 829 H VAL 97 HN VAL 97 4.202 -1.213 -16.192 830 HA VAL 97 HA VAL 97 2.510 -0.151 -14.015 831 HB VAL 97 HB VAL 97 5.163 -1.602 -13.503 832 HG11 VAL 97 HG11 VAL 97 4.725 0.199 -11.885 833 HG12 VAL 97 HG12 VAL 97 4.604 -1.372 -11.099 834 HG13 VAL 97 HG13 VAL 97 3.138 -0.483 -11.518 835 HG21 VAL 97 HG21 VAL 97 3.882 -3.406 -12.401 836 HG22 VAL 97 HG22 VAL 97 3.431 -3.263 -14.099 837 HG23 VAL 97 HG23 VAL 97 2.365 -2.620 -12.850 838 H HIS 98 HN HIS 98 3.054 2.050 -13.689 839 HA HIS 98 HA HIS 98 5.127 3.142 -15.455 840 HB2 HIS 98 HB2 HIS 98 2.777 4.069 -15.410 841 HB3 HIS 98 HB1 HIS 98 3.015 4.538 -13.734 842 HD2 HIS 98 HD2 HIS 98 3.911 5.694 -17.315 843 HE1 HIS 98 HE1 HIS 98 5.373 8.565 -14.591 844 HE2 HIS 98 HE2 HIS 98 5.149 7.945 -17.028 845 HA PRO 99 HA PRO 99 8.022 3.487 -12.014 846 HB2 PRO 99 HB2 PRO 99 9.629 5.551 -12.873 847 HB3 PRO 99 HB1 PRO 99 9.682 3.919 -13.553 848 HG2 PRO 99 HG2 PRO 99 8.218 6.346 -14.584 849 HG3 PRO 99 HG1 PRO 99 9.250 5.204 -15.476 850 HD2 PRO 99 HD2 PRO 99 6.572 5.008 -15.552 851 HD3 PRO 99 HD1 PRO 99 7.589 3.551 -15.526 852 H MET 100 HN MET 100 6.661 6.627 -13.128 853 HA MET 100 HA MET 100 7.487 7.975 -10.689 854 HB2 MET 100 HB2 MET 100 5.931 9.088 -13.046 855 HB3 MET 100 HB1 MET 100 6.621 10.033 -11.731 856 HG2 MET 100 HG2 MET 100 8.881 9.125 -12.428 857 HG3 MET 100 HG1 MET 100 8.095 8.494 -13.872 858 HE1 MET 100 HE1 MET 100 6.858 11.868 -15.574 859 HE2 MET 100 HE2 MET 100 5.925 10.876 -14.454 860 HE3 MET 100 HE3 MET 100 6.892 10.111 -15.717 861 H THR 101 HN THR 101 4.712 6.277 -11.615 862 HA THR 101 HA THR 101 2.903 7.429 -9.680 863 HB THR 101 HB THR 101 1.611 5.322 -9.922 864 HG1 THR 101 HG1 THR 101 4.020 4.458 -11.040 865 HG21 THR 101 HG21 THR 101 1.179 5.345 -12.381 866 HG22 THR 101 HG22 THR 101 2.599 6.369 -12.603 867 HG23 THR 101 HG23 THR 101 1.214 6.976 -11.690 868 H ALA 102 HN ALA 102 2.257 6.204 -7.700 869 HA ALA 102 HA ALA 102 4.381 6.044 -5.919 870 HB1 ALA 102 HB1 ALA 102 2.738 5.270 -4.276 871 HB2 ALA 102 HB2 ALA 102 1.591 4.903 -5.567 872 HB3 ALA 102 HB3 ALA 102 2.066 6.573 -5.259 873 H LEU 103 HN LEU 103 2.724 3.442 -7.596 874 HA LEU 103 HA LEU 103 3.435 1.242 -5.864 875 HB2 LEU 103 HB2 LEU 103 1.530 1.046 -7.476 876 HB3 LEU 103 HB1 LEU 103 2.669 1.095 -8.810 877 HG LEU 103 HG LEU 103 3.691 -1.051 -7.994 878 HD11 LEU 103 HD11 LEU 103 1.420 -1.078 -5.979 879 HD12 LEU 103 HD12 LEU 103 3.140 -0.909 -5.615 880 HD13 LEU 103 HD13 LEU 103 2.526 -2.411 -6.302 881 HD21 LEU 103 HD21 LEU 103 1.869 -2.567 -8.694 882 HD22 LEU 103 HD22 LEU 103 1.993 -1.168 -9.763 883 HD23 LEU 103 HD23 LEU 103 0.704 -1.244 -8.556 884 H GLY 104 HN GLY 104 4.759 2.247 -9.106 885 HA2 GLY 104 HA2 GLY 104 7.099 0.696 -9.008 886 HA3 GLY 104 HA1 GLY 104 6.843 2.108 -10.015 887 H ARG 105 HN ARG 105 6.672 4.047 -8.365 888 HA ARG 105 HA ARG 105 9.188 4.851 -7.473 889 HB2 ARG 105 HB2 ARG 105 6.539 5.834 -6.389 890 HB3 ARG 105 HB1 ARG 105 8.064 6.432 -5.742 891 HG2 ARG 105 HG2 ARG 105 8.654 7.005 -8.197 892 HG3 ARG 105 HG1 ARG 105 6.935 6.788 -8.516 893 HD2 ARG 105 HD2 ARG 105 8.175 8.776 -6.582 894 HD3 ARG 105 HD1 ARG 105 7.460 9.145 -8.153 895 HE ARG 105 HE ARG 105 5.691 7.857 -6.241 896 HH11 ARG 105 HH11 ARG 105 6.681 10.897 -7.693 897 HH12 ARG 105 HH12 ARG 105 5.369 11.788 -6.996 898 HH21 ARG 105 HH21 ARG 105 3.980 9.032 -5.354 899 HH22 ARG 105 HH22 ARG 105 3.838 10.731 -5.675 900 H GLU 106 HN GLU 106 6.952 2.766 -5.695 901 HA GLU 106 HA GLU 106 8.596 2.731 -3.300 902 HB2 GLU 106 HB2 GLU 106 6.034 2.721 -3.299 903 HB3 GLU 106 HB1 GLU 106 6.123 1.091 -3.951 904 HG2 GLU 106 HG2 GLU 106 5.733 1.080 -1.535 905 HG3 GLU 106 HG1 GLU 106 7.272 0.313 -1.940 906 H MET 107 HN MET 107 7.873 0.658 -6.114 907 HA MET 107 HA MET 107 8.924 -1.780 -4.860 908 HB2 MET 107 HB2 MET 107 7.704 -1.211 -7.588 909 HB3 MET 107 HB1 MET 107 8.567 -2.709 -7.283 910 HG2 MET 107 HG2 MET 107 6.943 -3.339 -5.568 911 HG3 MET 107 HG1 MET 107 6.101 -1.803 -5.765 912 HE1 MET 107 HE1 MET 107 6.224 -5.022 -9.113 913 HE2 MET 107 HE2 MET 107 7.075 -5.208 -7.576 914 HE3 MET 107 HE3 MET 107 7.613 -3.996 -8.744 915 H GLY 108 HN GLY 108 10.071 0.972 -6.453 916 HA2 GLY 108 HA2 GLY 108 12.426 1.426 -6.391 917 HA3 GLY 108 HA1 GLY 108 12.744 -0.237 -6.862 918 H LEU 109 HN LEU 109 10.225 0.511 -8.755 919 HA LEU 109 HA LEU 109 11.753 0.350 -11.098 920 HB2 LEU 109 HB2 LEU 109 8.852 1.237 -10.950 921 HB3 LEU 109 HB1 LEU 109 9.665 0.479 -12.310 922 HG LEU 109 HG LEU 109 8.887 -0.835 -9.676 923 HD11 LEU 109 HD11 LEU 109 7.944 -1.365 -12.506 924 HD12 LEU 109 HD12 LEU 109 7.028 -0.579 -11.221 925 HD13 LEU 109 HD13 LEU 109 7.468 -2.275 -11.070 926 HD21 LEU 109 HD21 LEU 109 9.808 -2.951 -10.558 927 HD22 LEU 109 HD22 LEU 109 11.062 -1.742 -10.310 928 HD23 LEU 109 HD23 LEU 109 10.483 -2.082 -11.943 929 H GLU 110 HN GLU 110 12.772 1.812 -12.195 930 HA GLU 110 HA GLU 110 12.209 4.727 -11.999 931 HB2 GLU 110 HB2 GLU 110 14.640 4.940 -12.646 932 HB3 GLU 110 HB1 GLU 110 14.388 4.142 -11.097 933 HG2 GLU 110 HG2 GLU 110 14.595 1.921 -12.340 934 HG3 GLU 110 HG1 GLU 110 15.116 2.847 -13.742 935 H GLU 111 HN GLU 111 11.312 2.351 -13.833 936 HA GLU 111 HA GLU 111 11.039 3.922 -16.256 937 HB2 GLU 111 HB2 GLU 111 12.054 2.189 -17.760 938 HB3 GLU 111 HB1 GLU 111 13.225 3.012 -16.737 939 HG2 GLU 111 HG2 GLU 111 13.162 1.024 -15.187 940 HG3 GLU 111 HG1 GLU 111 12.141 0.204 -16.369 941 H MET 112 HN MET 112 9.597 2.867 -17.883 942 HA MET 112 HA MET 112 7.289 1.837 -16.580 943 HB2 MET 112 HB2 MET 112 6.977 3.318 -18.485 944 HB3 MET 112 HB1 MET 112 7.926 2.256 -19.527 945 HG2 MET 112 HG2 MET 112 6.230 0.641 -19.650 946 HG3 MET 112 HG1 MET 112 5.415 1.244 -18.210 947 HE1 MET 112 HE1 MET 112 3.351 4.199 -19.397 948 HE2 MET 112 HE2 MET 112 4.845 4.184 -18.458 949 HE3 MET 112 HE3 MET 112 3.602 2.963 -18.161 950 H THR 113 HN THR 113 6.895 -0.161 -16.160 951 HA THR 113 HA THR 113 8.601 -2.282 -17.284 952 HB THR 113 HB THR 113 7.106 -2.403 -14.634 953 HG1 THR 113 HG1 THR 113 8.740 -0.638 -14.842 954 HG21 THR 113 HG21 THR 113 7.888 -4.587 -15.509 955 HG22 THR 113 HG22 THR 113 8.795 -4.117 -14.070 956 HG23 THR 113 HG23 THR 113 9.521 -3.942 -15.670 957 H GLY 114 HN GLY 114 7.555 -4.199 -18.232 958 HA2 GLY 114 HA2 GLY 114 4.676 -4.520 -17.613 959 HA3 GLY 114 HA1 GLY 114 5.461 -5.012 -19.101 960 H PHE 115 HN PHE 115 3.858 -6.920 -17.866 961 HA PHE 115 HA PHE 115 5.669 -8.944 -16.955 962 HB2 PHE 115 HB2 PHE 115 3.511 -7.901 -15.065 963 HB3 PHE 115 HB1 PHE 115 4.415 -9.376 -14.823 964 HD1 PHE 115 HD1 PHE 115 6.913 -9.217 -14.331 965 HD2 PHE 115 HD2 PHE 115 4.336 -5.807 -14.331 966 HE1 PHE 115 HE1 PHE 115 8.527 -7.993 -12.934 967 HE2 PHE 115 HE2 PHE 115 5.954 -4.588 -12.923 968 HZ PHE 115 HZ PHE 115 8.050 -5.685 -12.222 969 H SER 116 HN SER 116 4.655 -10.855 -18.047 970 HA SER 116 HA SER 116 1.889 -11.271 -17.104 971 HB2 SER 116 HB2 SER 116 1.970 -10.321 -19.434 972 HB3 SER 116 HB1 SER 116 2.888 -11.730 -19.955 973 HG SER 116 HG SER 116 0.197 -11.445 -19.470 974 H LYS 117 HN LYS 117 1.028 -13.396 -17.554 975 HA LYS 117 HA LYS 117 2.813 -15.640 -16.938 976 HB2 LYS 117 HB2 LYS 117 -0.230 -15.447 -17.089 977 HB3 LYS 117 HB1 LYS 117 0.665 -16.862 -16.541 978 HG2 LYS 117 HG2 LYS 117 0.894 -14.169 -15.184 979 HG3 LYS 117 HG1 LYS 117 -0.341 -15.342 -14.734 980 HD2 LYS 117 HD2 LYS 117 2.647 -15.929 -14.701 981 HD3 LYS 117 HD1 LYS 117 1.744 -15.352 -13.292 982 HE2 LYS 117 HE2 LYS 117 0.298 -17.372 -13.419 983 HE3 LYS 117 HE1 LYS 117 1.239 -17.944 -14.797 984 HZ1 LYS 117 HZ1 LYS 117 2.374 -17.416 -12.109 985 HZ2 LYS 117 HZ2 LYS 117 3.164 -18.118 -13.428 986 HZ3 LYS 117 HZ3 LYS 117 1.901 -18.939 -12.670 987 H THR 118 HN THR 118 1.541 -14.093 -19.572 988 HA THR 118 HA THR 118 1.526 -16.446 -21.350 989 HB THR 118 HB THR 118 -0.207 -15.189 -22.710 990 HG1 THR 118 HG1 THR 118 0.339 -13.175 -21.203 991 HG21 THR 118 HG21 THR 118 -0.943 -17.012 -21.228 992 HG22 THR 118 HG22 THR 118 -2.156 -15.732 -21.293 993 HG23 THR 118 HG23 THR 118 -1.095 -15.876 -19.889 994 H THR 119 HN THR 119 2.360 -15.953 -23.496 995 HA THR 119 HA THR 119 4.733 -14.414 -23.272 996 HB THR 119 HB THR 119 4.635 -16.516 -24.565 997 HG1 THR 119 HG1 THR 119 6.264 -14.910 -25.002 998 HG21 THR 119 HG21 THR 119 3.719 -16.582 -26.851 999 HG22 THR 119 HG22 THR 119 3.100 -14.940 -26.663 1000 HG23 THR 119 HG23 THR 119 2.442 -16.250 -25.681 1001 H PHE 120 HN PHE 120 5.391 -12.537 -24.277 1002 HA PHE 120 HA PHE 120 3.755 -11.247 -26.296 1003 HB2 PHE 120 HB2 PHE 120 3.868 -9.013 -25.218 1004 HB3 PHE 120 HB1 PHE 120 2.869 -10.152 -24.344 1005 HD1 PHE 120 HD2 PHE 120 3.995 -11.332 -22.262 1006 HD2 PHE 120 HD1 PHE 120 5.431 -7.704 -24.027 1007 HE1 PHE 120 HE2 PHE 120 5.122 -10.733 -20.165 1008 HE2 PHE 120 HE1 PHE 120 6.549 -7.127 -21.926 1009 HZ PHE 120 HZ PHE 120 6.402 -8.634 -19.993
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