NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
591750 | 2mxf | 25407 | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 79 H1 ALA 79 -1.850 6.542 8.980 2 HA ALA 79 HA ALA 79 1.020 5.883 9.363 3 HB1 ALA 79 HB1 ALA 79 0.454 4.030 7.759 4 HB2 ALA 79 HB2 ALA 79 -0.427 3.898 9.295 5 HB3 ALA 79 HB3 ALA 79 -1.264 4.529 7.857 6 H ARG 80 H ARG 80 2.320 5.970 7.507 7 HA ARG 80 HA ARG 80 1.940 8.219 5.725 8 HB2 ARG 80 HB2 ARG 80 4.030 6.021 5.863 9 HB3 ARG 80 HB3 ARG 80 4.127 7.381 4.736 10 HG2 ARG 80 HG2 ARG 80 3.765 7.843 7.710 11 HG3 ARG 80 HG3 ARG 80 5.370 7.588 7.017 12 HD2 ARG 80 HD2 ARG 80 5.330 9.603 5.845 13 HD3 ARG 80 HD3 ARG 80 3.570 9.671 5.805 14 HE ARG 80 HE ARG 80 5.345 10.390 8.100 15 HH11 ARG 80 HH11 ARG 80 2.076 10.514 6.744 16 HH12 ARG 80 HH12 ARG 80 1.570 11.624 7.979 17 HH21 ARG 80 HH22 ARG 80 4.512 11.989 9.473 18 HH22 ARG 80 HH21 ARG 80 2.789 12.296 9.462 19 H LYS 81 H LYS 81 -0.262 7.154 5.167 20 HA LYS 81 HA LYS 81 -0.691 5.155 3.239 21 HB2 LYS 81 HB2 LYS 81 -2.126 7.754 3.991 22 HB3 LYS 81 HB3 LYS 81 -2.789 6.626 2.818 23 HG2 LYS 81 HG2 LYS 81 -3.296 5.010 4.376 24 HG3 LYS 81 HG3 LYS 81 -2.051 5.536 5.538 25 HD2 LYS 81 HD2 LYS 81 -3.312 7.483 6.158 26 HD3 LYS 81 HD3 LYS 81 -4.542 7.173 4.914 27 HE2 LYS 81 HE2 LYS 81 -5.293 5.159 6.017 28 HE3 LYS 81 HE3 LYS 81 -3.902 5.155 7.109 29 HZ1 LYS 81 HZ1 LYS 81 -5.982 7.283 7.134 30 HZ2 LYS 81 HZ2 LYS 81 -5.956 6.016 8.173 31 HZ3 LYS 81 HZ3 LYS 81 -4.740 7.121 8.195 32 H VAL 82 H VAL 82 -0.433 5.020 1.274 33 HA VAL 82 HA VAL 82 0.776 7.039 -0.451 34 HB VAL 82 HB VAL 82 -0.438 4.310 -1.062 35 HG11 VAL 82 HG11 VAL 82 1.081 6.218 -2.892 36 HG12 VAL 82 HG12 VAL 82 0.888 4.473 -3.203 37 HG13 VAL 82 HG13 VAL 82 -0.542 5.500 -3.118 38 HG21 VAL 82 HG21 VAL 82 2.452 5.196 -0.850 39 HG22 VAL 82 HG22 VAL 82 1.548 4.281 0.396 40 HG23 VAL 82 HG23 VAL 82 1.868 3.562 -1.197 41 H LYS 83 H LYS 83 -0.171 8.459 -1.763 42 HA LYS 83 HA LYS 83 -3.054 8.178 -2.445 43 HB2 LYS 83 HB2 LYS 83 -1.309 10.582 -2.017 44 HB3 LYS 83 HB3 LYS 83 -2.442 10.620 -3.390 45 HG2 LYS 83 HG2 LYS 83 -4.339 10.177 -2.018 46 HG3 LYS 83 HG3 LYS 83 -3.329 9.981 -0.564 47 HD2 LYS 83 HD2 LYS 83 -2.610 12.288 -0.663 48 HD3 LYS 83 HD3 LYS 83 -3.365 12.530 -2.250 49 HE2 LYS 83 HE2 LYS 83 -5.529 12.486 -1.435 50 HE3 LYS 83 HE3 LYS 83 -5.065 11.730 0.113 51 HZ1 LYS 83 HZ1 LYS 83 -5.518 14.162 0.273 52 HZ2 LYS 83 HZ2 LYS 83 -4.033 13.733 0.801 53 HZ3 LYS 83 HZ3 LYS 83 -4.227 14.454 -0.699 54 H GLN 84 H GLN 84 -3.437 7.572 -4.460 55 HA GLN 84 HA GLN 84 -1.250 7.583 -6.448 56 HB2 GLN 84 HB2 GLN 84 -2.175 5.580 -6.939 57 HB3 GLN 84 HB3 GLN 84 -3.686 5.923 -6.083 58 HG2 GLN 84 HG2 GLN 84 -4.517 7.137 -8.003 59 HG3 GLN 84 HG3 GLN 84 -2.977 6.891 -8.880 60 HE21 GLN 84 HE22 GLN 84 -2.341 4.514 -9.266 61 HE22 GLN 84 HE21 GLN 84 -3.666 3.394 -9.532 62 H TYR 85 H TYR 85 -1.496 8.935 -8.167 63 HA TYR 85 HA TYR 85 -3.848 10.794 -8.224 64 HB2 TYR 85 HB2 TYR 85 -0.963 11.594 -8.790 65 HB3 TYR 85 HB3 TYR 85 -2.380 12.632 -8.840 66 HD1 TYR 85 HD2 TYR 85 -3.525 13.311 -6.749 67 HD2 TYR 85 HD1 TYR 85 0.180 11.111 -6.697 68 HE1 TYR 85 HE2 TYR 85 -3.117 14.091 -4.412 69 HE2 TYR 85 HE1 TYR 85 0.611 11.887 -4.380 70 HH TYR 85 HH TYR 85 -0.073 13.273 -2.681 71 H LYS 86 H LYS 86 -4.643 11.149 -10.293 72 HA LYS 86 HA LYS 86 -3.179 9.989 -12.632 73 HB2 LYS 86 HB2 LYS 86 -4.823 8.352 -11.937 74 HB3 LYS 86 HB3 LYS 86 -6.092 9.575 -11.835 75 HG2 LYS 86 HG2 LYS 86 -6.142 9.884 -14.226 76 HG3 LYS 86 HG3 LYS 86 -4.659 8.949 -14.449 77 HD2 LYS 86 HD2 LYS 86 -5.836 6.915 -13.574 78 HD3 LYS 86 HD3 LYS 86 -7.333 7.873 -13.454 79 HE2 LYS 86 HE2 LYS 86 -7.188 8.351 -15.910 80 HE3 LYS 86 HE3 LYS 86 -5.725 7.358 -16.009 81 HZ1 LYS 86 HZ1 LYS 86 -7.072 5.433 -15.299 82 HZ2 LYS 86 HZ2 LYS 86 -8.421 6.356 -15.211 83 HZ3 LYS 86 HZ3 LYS 86 -7.708 6.083 -16.650 84 H ASN 87 H ASN 87 -3.254 11.212 -14.439 85 HA ASN 87 HA ASN 87 -4.447 13.921 -14.123 86 HB2 ASN 87 HB2 ASN 87 -2.068 13.616 -14.309 87 HB3 ASN 87 HB3 ASN 87 -2.236 12.878 -15.899 88 HD21 ASN 87 HD21 ASN 87 -0.758 15.302 -15.143 89 HD22 ASN 87 HD22 ASN 87 -1.578 16.627 -15.980 90 HA PRO 88 HA PRO 88 -7.593 12.753 -17.238 91 HB2 PRO 88 HB2 PRO 88 -8.108 15.705 -16.830 92 HB3 PRO 88 HB3 PRO 88 -9.285 14.367 -16.993 93 HG2 PRO 88 HG2 PRO 88 -8.693 15.374 -14.539 94 HG3 PRO 88 HG3 PRO 88 -8.818 13.599 -14.769 95 HD2 PRO 88 HD2 PRO 88 -6.331 15.307 -14.645 96 HD3 PRO 88 HD3 PRO 88 -6.673 13.717 -13.890 97 H HIS 89 H HIS 89 -5.185 15.350 -17.464 98 HA HIS 89 HA HIS 89 -5.806 15.989 -20.278 99 HB2 HIS 89 HB2 HIS 89 -3.607 17.050 -18.460 100 HB3 HIS 89 HB3 HIS 89 -4.140 17.746 -19.982 101 HD1 HIS 89 HD1 HIS 89 -6.736 18.802 -19.938 102 HD2 HIS 89 HD2 HIS 89 -4.875 17.803 -16.278 103 HE1 HIS 89 HE1 HIS 89 -8.063 20.019 -18.091 104 HE2 HIS 89 HE2 HIS 89 -6.914 19.421 -15.866 105 H THR 90 H THR 90 -3.517 13.929 -18.626 106 HA THR 90 HA THR 90 -1.966 13.553 -21.180 107 HB THR 90 HB THR 90 -0.009 13.143 -19.841 108 HG1 THR 90 HG1 THR 90 -0.160 13.350 -17.569 109 HG21 THR 90 HG21 THR 90 0.367 15.298 -18.744 110 HG22 THR 90 HG22 THR 90 -0.561 15.578 -20.228 111 HG23 THR 90 HG23 THR 90 -1.389 15.592 -18.658 112 H GLY 91 H GLY 91 -3.772 11.887 -18.678 113 HA2 GLY 91 HA2 GLY 91 -4.377 9.673 -18.514 114 HA3 GLY 91 HA3 GLY 91 -3.444 9.287 -19.970 115 H GLU 92 H GLU 92 -1.535 10.988 -17.600 116 HA GLU 92 HA GLU 92 -0.030 8.582 -16.977 117 HB2 GLU 92 HB2 GLU 92 0.390 11.534 -16.501 118 HB3 GLU 92 HB3 GLU 92 1.345 10.336 -15.637 119 HG2 GLU 92 HG2 GLU 92 1.122 10.181 -18.633 120 HG3 GLU 92 HG3 GLU 92 2.247 11.312 -17.856 121 H VAL 93 H VAL 93 0.436 8.023 -14.941 122 HA VAL 93 HA VAL 93 -1.292 8.847 -12.665 123 HB VAL 93 HB VAL 93 -0.490 6.042 -13.373 124 HG11 VAL 93 HG11 VAL 93 -2.507 7.065 -11.294 125 HG12 VAL 93 HG12 VAL 93 -2.305 5.364 -11.742 126 HG13 VAL 93 HG13 VAL 93 -0.991 6.207 -10.946 127 HG21 VAL 93 HG21 VAL 93 -2.918 5.672 -13.977 128 HG22 VAL 93 HG22 VAL 93 -3.160 7.426 -13.819 129 HG23 VAL 93 HG23 VAL 93 -2.083 6.781 -15.067 130 H ILE 94 H ILE 94 -0.404 8.418 -10.657 131 HA ILE 94 HA ILE 94 2.425 7.682 -10.298 132 HB ILE 94 HB ILE 94 1.853 9.921 -8.561 133 HG12 ILE 94 HG12 ILE 94 1.881 10.822 -11.466 134 HG13 ILE 94 HG13 ILE 94 0.449 10.819 -10.427 135 HG21 ILE 94 HG21 ILE 94 3.990 9.761 -10.699 136 HG22 ILE 94 HG22 ILE 94 4.030 10.636 -9.142 137 HG23 ILE 94 HG23 ILE 94 4.078 8.887 -9.143 138 HD11 ILE 94 HD11 ILE 94 1.671 12.265 -8.790 139 HD12 ILE 94 HD12 ILE 94 2.965 12.442 -9.990 140 HD13 ILE 94 HD13 ILE 94 1.339 13.032 -10.364 141 H GLU 95 H GLU 95 2.915 7.584 -7.989 142 HA GLU 95 HA GLU 95 0.758 7.313 -6.008 143 HB2 GLU 95 HB2 GLU 95 2.610 5.119 -6.950 144 HB3 GLU 95 HB3 GLU 95 2.048 5.145 -5.263 145 HG2 GLU 95 HG2 GLU 95 -0.270 5.073 -5.960 146 HG3 GLU 95 HG3 GLU 95 0.202 5.131 -7.665 147 H THR 96 H THR 96 1.448 8.502 -4.309 148 HA THR 96 HA THR 96 4.274 8.317 -3.394 149 HB THR 96 HB THR 96 4.867 10.462 -3.643 150 HG1 THR 96 HG1 THR 96 3.476 12.220 -3.455 151 HG21 THR 96 HG21 THR 96 4.216 9.938 -6.014 152 HG22 THR 96 HG22 THR 96 2.591 10.590 -5.677 153 HG23 THR 96 HG23 THR 96 4.023 11.648 -5.630 154 H LYS 97 H LYS 97 4.552 8.907 -1.148 155 HA LYS 97 HA LYS 97 2.028 8.867 0.465 156 HB2 LYS 97 HB2 LYS 97 4.905 8.715 1.334 157 HB3 LYS 97 HB3 LYS 97 3.507 8.356 2.336 158 HG2 LYS 97 HG2 LYS 97 3.011 6.347 1.074 159 HG3 LYS 97 HG3 LYS 97 4.217 6.739 -0.150 160 HD2 LYS 97 HD2 LYS 97 5.963 6.638 1.748 161 HD3 LYS 97 HD3 LYS 97 4.701 5.882 2.713 162 HE2 LYS 97 HE2 LYS 97 6.014 4.129 1.788 163 HE3 LYS 97 HE3 LYS 97 4.492 4.118 0.889 164 HZ1 LYS 97 HZ1 LYS 97 7.012 5.438 -0.079 165 HZ2 LYS 97 HZ2 LYS 97 6.508 3.947 -0.555 166 HZ3 LYS 97 HZ3 LYS 97 5.644 5.288 -0.939 167 H GLY 98 H GLY 98 3.444 11.233 -1.051 168 HA2 GLY 98 HA2 GLY 98 2.839 13.562 -0.360 169 HA3 GLY 98 HA3 GLY 98 3.692 13.222 1.157 170 H GLY 99 H GLY 99 4.880 15.108 0.565 171 HA2 GLY 99 HA2 GLY 99 6.901 16.015 0.215 172 HA3 GLY 99 HA3 GLY 99 7.475 14.442 -0.308 173 H ASN 100 H ASN 100 8.553 16.652 -1.233 174 HA ASN 100 HA ASN 100 7.907 17.581 -3.834 175 HB2 ASN 100 HB2 ASN 100 9.588 18.679 -2.547 176 HB3 ASN 100 HB3 ASN 100 10.377 17.181 -2.146 177 HD21 ASN 100 HD22 ASN 100 12.211 18.599 -2.637 178 HD22 ASN 100 HD21 ASN 100 12.890 18.255 -4.214 179 H HIS 101 H HIS 101 7.169 16.093 -5.278 180 HA HIS 101 HA HIS 101 9.043 13.948 -6.158 181 HB2 HIS 101 HB2 HIS 101 7.138 13.052 -4.772 182 HB3 HIS 101 HB3 HIS 101 6.016 13.647 -5.984 183 HD1 HIS 101 HD1 HIS 101 8.938 11.039 -5.656 184 HD2 HIS 101 HD2 HIS 101 5.650 12.104 -8.115 185 HE1 HIS 101 HE1 HIS 101 8.676 9.168 -7.374 186 HE2 HIS 101 HE2 HIS 101 6.706 9.811 -8.891 187 H LYS 102 H LYS 102 9.509 13.998 -8.277 188 HA LYS 102 HA LYS 102 9.265 16.306 -9.710 189 HB2 LYS 102 HB2 LYS 102 10.869 14.442 -10.005 190 HB3 LYS 102 HB3 LYS 102 9.692 13.594 -11.027 191 HG2 LYS 102 HG2 LYS 102 9.730 15.448 -12.637 192 HG3 LYS 102 HG3 LYS 102 10.627 16.453 -11.484 193 HD2 LYS 102 HD2 LYS 102 12.403 14.452 -11.616 194 HD3 LYS 102 HD3 LYS 102 11.634 14.177 -13.193 195 HE2 LYS 102 HE2 LYS 102 12.087 16.497 -13.842 196 HE3 LYS 102 HE3 LYS 102 12.577 16.877 -12.180 197 HZ1 LYS 102 HZ1 LYS 102 14.476 15.407 -12.412 198 HZ2 LYS 102 HZ2 LYS 102 14.065 15.002 -13.955 199 HZ3 LYS 102 HZ3 LYS 102 14.535 16.532 -13.602 200 H THR 103 H THR 103 7.384 13.467 -10.965 201 HA THR 103 HA THR 103 5.901 14.981 -12.822 202 HB THR 103 HB THR 103 4.917 12.481 -11.421 203 HG1 THR 103 HG1 THR 103 5.969 11.440 -13.170 204 HG21 THR 103 HG21 THR 103 4.266 13.873 -14.045 205 HG22 THR 103 HG22 THR 103 3.816 12.167 -13.736 206 HG23 THR 103 HG23 THR 103 3.151 13.453 -12.729 207 H LEU 104 H LEU 104 5.082 14.278 -9.440 208 HA LEU 104 HA LEU 104 2.447 15.375 -9.430 209 HB2 LEU 104 HB2 LEU 104 3.442 13.822 -7.741 210 HB3 LEU 104 HB3 LEU 104 4.503 15.120 -7.196 211 HG LEU 104 HG LEU 104 2.579 16.403 -6.382 212 HD11 LEU 104 HD11 LEU 104 0.826 15.622 -7.946 213 HD12 LEU 104 HD12 LEU 104 0.939 13.982 -7.282 214 HD13 LEU 104 HD13 LEU 104 0.343 15.301 -6.272 215 HD21 LEU 104 HD21 LEU 104 3.699 14.764 -4.898 216 HD22 LEU 104 HD22 LEU 104 1.976 14.921 -4.526 217 HD23 LEU 104 HD23 LEU 104 2.552 13.509 -5.428 218 H LYS 105 H LYS 105 5.645 16.894 -8.941 219 HA LYS 105 HA LYS 105 4.577 19.539 -8.315 220 HB2 LYS 105 HB2 LYS 105 7.321 18.517 -9.172 221 HB3 LYS 105 HB3 LYS 105 7.007 20.216 -8.936 222 HG2 LYS 105 HG2 LYS 105 6.718 18.055 -6.804 223 HG3 LYS 105 HG3 LYS 105 8.074 19.165 -6.978 224 HD2 LYS 105 HD2 LYS 105 5.232 19.840 -6.138 225 HD3 LYS 105 HD3 LYS 105 6.704 19.941 -5.170 226 HE2 LYS 105 HE2 LYS 105 7.569 21.723 -6.763 227 HE3 LYS 105 HE3 LYS 105 6.001 21.681 -7.590 228 HZ1 LYS 105 HZ1 LYS 105 6.463 22.462 -4.752 229 HZ2 LYS 105 HZ2 LYS 105 5.948 23.443 -5.967 230 HZ3 LYS 105 HZ3 LYS 105 4.984 22.238 -5.365 231 H GLU 106 H GLU 106 5.324 17.902 -11.398 232 HA GLU 106 HA GLU 106 5.202 20.336 -12.939 233 HB2 GLU 106 HB2 GLU 106 4.424 17.586 -13.931 234 HB3 GLU 106 HB3 GLU 106 4.975 18.984 -14.885 235 HG2 GLU 106 HG2 GLU 106 7.166 18.741 -13.511 236 HG3 GLU 106 HG3 GLU 106 6.459 17.175 -13.037 237 H TRP 107 H TRP 107 2.862 17.819 -12.113 238 HA TRP 107 HA TRP 107 0.633 18.991 -13.486 239 HB2 TRP 107 HB2 TRP 107 0.603 17.292 -10.971 240 HB3 TRP 107 HB3 TRP 107 -0.783 17.644 -12.011 241 HD1 TRP 107 HD1 TRP 107 1.965 16.907 -14.329 242 HE1 TRP 107 HE1 TRP 107 1.952 14.453 -15.060 243 HE3 TRP 107 HE3 TRP 107 -1.429 15.048 -10.964 244 HZ2 TRP 107 HZ2 TRP 107 0.808 11.997 -14.197 245 HZ3 TRP 107 HZ3 TRP 107 -2.042 12.645 -11.042 246 HH2 TRP 107 HH2 TRP 107 -0.894 11.103 -12.631 247 H LYS 108 H LYS 108 1.835 19.673 -10.191 248 HA LYS 108 HA LYS 108 -0.273 21.550 -9.507 249 HB2 LYS 108 HB2 LYS 108 2.629 21.340 -8.577 250 HB3 LYS 108 HB3 LYS 108 1.460 22.501 -7.931 251 HG2 LYS 108 HG2 LYS 108 -0.052 20.602 -7.332 252 HG3 LYS 108 HG3 LYS 108 1.205 19.469 -7.837 253 HD2 LYS 108 HD2 LYS 108 2.778 20.588 -6.210 254 HD3 LYS 108 HD3 LYS 108 1.424 21.590 -5.649 255 HE2 LYS 108 HE2 LYS 108 0.161 19.389 -5.185 256 HE3 LYS 108 HE3 LYS 108 1.658 18.543 -5.582 257 HZ1 LYS 108 HZ1 LYS 108 1.167 20.325 -3.274 258 HZ2 LYS 108 HZ2 LYS 108 1.754 18.780 -3.313 259 HZ3 LYS 108 HZ3 LYS 108 2.695 20.066 -3.804 260 H ALA 109 H ALA 109 2.806 21.914 -11.325 261 HA ALA 109 HA ALA 109 2.744 24.761 -11.490 262 HB1 ALA 109 HB1 ALA 109 3.959 22.791 -13.490 263 HB2 ALA 109 HB2 ALA 109 4.432 24.463 -13.209 264 HB3 ALA 109 HB3 ALA 109 4.737 23.231 -11.948 265 H LYS 110 H LYS 110 1.776 22.166 -13.708 266 HA LYS 110 HA LYS 110 0.981 23.741 -15.776 267 HB2 LYS 110 HB2 LYS 110 0.522 20.864 -15.028 268 HB3 LYS 110 HB3 LYS 110 -0.257 21.516 -16.481 269 HG2 LYS 110 HG2 LYS 110 1.983 22.171 -17.359 270 HG3 LYS 110 HG3 LYS 110 2.733 21.369 -15.959 271 HD2 LYS 110 HD2 LYS 110 1.477 19.275 -16.565 272 HD3 LYS 110 HD3 LYS 110 0.868 20.080 -18.017 273 HE2 LYS 110 HE2 LYS 110 3.763 19.444 -17.360 274 HE3 LYS 110 HE3 LYS 110 2.694 18.494 -18.422 275 HZ1 LYS 110 HZ1 LYS 110 2.551 20.451 -19.902 276 HZ2 LYS 110 HZ2 LYS 110 3.570 21.306 -18.948 277 HZ3 LYS 110 HZ3 LYS 110 4.103 19.983 -19.734 278 H TRP 111 H TRP 111 -1.020 22.387 -13.179 279 HA TRP 111 HA TRP 111 -3.374 23.995 -14.130 280 HB2 TRP 111 HB2 TRP 111 -3.510 21.166 -13.048 281 HB3 TRP 111 HB3 TRP 111 -4.858 22.162 -13.577 282 HD1 TRP 111 HD1 TRP 111 -5.026 22.652 -16.258 283 HE1 TRP 111 HE1 TRP 111 -4.187 21.336 -18.302 284 HE3 TRP 111 HE3 TRP 111 -1.726 19.556 -13.905 285 HZ2 TRP 111 HZ2 TRP 111 -2.220 19.281 -18.846 286 HZ3 TRP 111 HZ3 TRP 111 -0.310 17.993 -15.211 287 HH2 TRP 111 HH2 TRP 111 -0.562 17.814 -17.670 288 H GLY 112 H GLY 112 -2.311 22.113 -11.201 289 HA2 GLY 112 HA2 GLY 112 -1.893 24.031 -9.408 290 HA3 GLY 112 HA3 GLY 112 -3.645 24.138 -9.449 291 HA PRO 113 HA PRO 113 -2.022 20.694 -6.547 292 HB2 PRO 113 HB2 PRO 113 -2.305 21.939 -4.077 293 HB3 PRO 113 HB3 PRO 113 -0.799 21.865 -5.031 294 HG2 PRO 113 HG2 PRO 113 -2.821 24.100 -4.899 295 HG3 PRO 113 HG3 PRO 113 -1.023 24.201 -4.847 296 HD2 PRO 113 HD2 PRO 113 -2.440 24.703 -7.108 297 HD3 PRO 113 HD3 PRO 113 -0.858 23.863 -7.172 298 H GLU 114 H GLU 114 -4.759 22.962 -6.276 299 HA GLU 114 HA GLU 114 -6.530 21.367 -4.713 300 HB2 GLU 114 HB2 GLU 114 -7.339 23.164 -7.013 301 HB3 GLU 114 HB3 GLU 114 -8.235 22.737 -5.529 302 HG2 GLU 114 HG2 GLU 114 -6.432 23.988 -4.237 303 HG3 GLU 114 HG3 GLU 114 -5.791 24.499 -5.811 304 H ALA 115 H ALA 115 -6.042 21.665 -8.164 305 HA ALA 115 HA ALA 115 -7.963 19.825 -9.143 306 HB1 ALA 115 HB1 ALA 115 -5.240 20.389 -10.409 307 HB2 ALA 115 HB2 ALA 115 -6.764 19.996 -11.209 308 HB3 ALA 115 HB3 ALA 115 -6.583 21.582 -10.414 309 H VAL 116 H VAL 116 -4.488 19.496 -8.588 310 HA VAL 116 HA VAL 116 -4.124 16.891 -9.253 311 HB VAL 116 HB VAL 116 -2.674 18.788 -7.419 312 HG11 VAL 116 HG11 VAL 116 -0.693 17.395 -7.445 313 HG12 VAL 116 HG12 VAL 116 -1.995 16.593 -6.573 314 HG13 VAL 116 HG13 VAL 116 -1.605 16.070 -8.230 315 HG21 VAL 116 HG21 VAL 116 -2.808 19.164 -9.934 316 HG22 VAL 116 HG22 VAL 116 -1.158 18.966 -9.308 317 HG23 VAL 116 HG23 VAL 116 -1.977 17.613 -10.131 318 H GLU 117 H GLU 117 -4.802 18.165 -5.953 319 HA GLU 117 HA GLU 117 -4.888 15.604 -4.608 320 HB2 GLU 117 HB2 GLU 117 -6.048 18.384 -4.099 321 HB3 GLU 117 HB3 GLU 117 -6.422 17.051 -3.022 322 HG2 GLU 117 HG2 GLU 117 -3.531 17.699 -3.629 323 HG3 GLU 117 HG3 GLU 117 -4.459 18.672 -2.485 324 H SER 118 H SER 118 -7.332 17.507 -6.396 325 HA SER 118 HA SER 118 -9.618 15.999 -5.457 326 HB2 SER 118 HB2 SER 118 -9.338 17.673 -7.989 327 HB3 SER 118 HB3 SER 118 -10.842 17.018 -7.337 328 HG SER 118 HG SER 118 -9.113 18.946 -6.170 329 H TRP 119 H TRP 119 -7.368 15.531 -8.135 330 HA TRP 119 HA TRP 119 -8.834 13.288 -9.285 331 HB2 TRP 119 HB2 TRP 119 -5.896 13.935 -9.621 332 HB3 TRP 119 HB3 TRP 119 -6.944 13.004 -10.684 333 HD1 TRP 119 HD1 TRP 119 -9.276 15.360 -10.779 334 HE1 TRP 119 HE1 TRP 119 -8.850 17.396 -12.276 335 HE3 TRP 119 HE3 TRP 119 -4.197 14.931 -11.308 336 HZ2 TRP 119 HZ2 TRP 119 -6.589 18.703 -13.508 337 HZ3 TRP 119 HZ3 TRP 119 -2.934 16.572 -12.685 338 HH2 TRP 119 HH2 TRP 119 -4.119 18.466 -13.769 339 H ALA 120 H ALA 120 -7.064 13.415 -6.316 340 HA ALA 120 HA ALA 120 -5.543 11.069 -6.663 341 HB1 ALA 120 HB1 ALA 120 -6.348 12.192 -3.976 342 HB2 ALA 120 HB2 ALA 120 -4.876 11.297 -4.428 343 HB3 ALA 120 HB3 ALA 120 -5.124 12.961 -5.000 344 H THR 121 H THR 121 -5.569 9.420 -5.203 345 HA THR 121 HA THR 121 -8.104 7.946 -4.470 346 HB THR 121 HB THR 121 -5.736 6.920 -6.065 347 HG1 THR 121 HG1 THR 121 -8.411 7.400 -6.942 348 HG21 THR 121 HG21 THR 121 -7.375 4.945 -6.405 349 HG22 THR 121 HG22 THR 121 -6.694 5.108 -4.779 350 HG23 THR 121 HG23 THR 121 -8.345 5.696 -5.100 351 H LEU 122 H LEU 122 -7.827 6.677 -2.686 352 HA LEU 122 HA LEU 122 -5.292 7.038 -1.155 353 HB2 LEU 122 HB2 LEU 122 -7.266 7.846 -0.044 354 HB3 LEU 122 HB3 LEU 122 -8.167 6.383 -0.422 355 HG LEU 122 HG LEU 122 -6.742 5.057 1.103 356 HD11 LEU 122 HD11 LEU 122 -5.188 6.129 2.667 357 HD12 LEU 122 HD12 LEU 122 -4.623 6.330 1.013 358 HD13 LEU 122 HD13 LEU 122 -5.409 7.695 1.839 359 HD21 LEU 122 HD21 LEU 122 -7.567 6.004 3.206 360 HD22 LEU 122 HD22 LEU 122 -7.867 7.565 2.411 361 HD23 LEU 122 HD23 LEU 122 -8.802 6.123 1.943 362 H LEU 123 H LEU 123 -3.939 5.415 -1.003 363 HA LEU 123 HA LEU 123 -4.806 2.589 -1.415 364 HB2 LEU 123 HB2 LEU 123 -2.247 4.010 -2.265 365 HB3 LEU 123 HB3 LEU 123 -2.577 2.287 -2.460 366 HG LEU 123 HG LEU 123 -4.103 4.591 -3.772 367 HD11 LEU 123 HD11 LEU 123 -1.863 4.280 -4.651 368 HD12 LEU 123 HD12 LEU 123 -2.116 2.532 -4.829 369 HD13 LEU 123 HD13 LEU 123 -3.040 3.664 -5.837 370 HD21 LEU 123 HD21 LEU 123 -5.165 2.817 -5.152 371 HD22 LEU 123 HD22 LEU 123 -4.363 1.558 -4.172 372 HD23 LEU 123 HD23 LEU 123 -5.593 2.610 -3.451 373 H GLY 124 H GLY 124 -4.579 1.374 0.215 374 HA2 GLY 124 HA2 GLY 124 -3.376 2.071 2.705 375 HA3 GLY 124 HA3 GLY 124 -3.889 0.446 2.225 376 H HIS 125 H HIS 125 -2.057 0.300 -0.027 377 HA HIS 125 HA HIS 125 -0.122 -0.773 -0.477 378 HB2 HIS 125 HB2 HIS 125 0.268 1.574 -0.845 379 HB3 HIS 125 HB3 HIS 125 1.047 1.704 0.741 380 HD1 HIS 125 HD1 HIS 125 3.136 -0.333 0.895 381 HD2 HIS 125 HD2 HIS 125 1.939 1.250 -2.819 382 HE1 HIS 125 HE1 HIS 125 5.121 -0.750 -0.751 383 HE2 HIS 125 HE2 HIS 125 4.353 0.209 -3.016 384 H5' DC 1 H5' DC 1 -4.980 29.153 7.566 385 H5'' DC 1 H5'' DC 1 -3.622 29.978 6.814 386 H4' DC 1 H4' DC 1 -3.259 29.928 9.169 387 H3' DC 1 H3' DC 1 -1.438 28.829 7.351 388 H2' DC 1 H2' DC 1 -1.522 26.663 7.940 389 H2'' DC 1 H2'' DC 1 -0.519 27.093 9.310 390 H1' DC 1 H1' DC 1 -2.246 27.248 10.810 391 H41 DC 1 H41 DC 1 -5.087 21.577 8.899 392 H42 DC 1 H42 DC 1 -4.944 21.574 10.664 393 H5 DC 1 H5 DC 1 -4.307 23.481 7.541 394 H6 DC 1 H6 DC 1 -3.346 25.703 7.686 395 HO5' DC 1 H5T DC 1 -4.260 28.060 5.638 396 H5' DG 2 H5' DG 2 -0.027 29.182 11.885 397 H5'' DG 2 H5'' DG 2 1.547 29.978 11.908 398 H4' DG 2 H4' DG 2 1.599 28.431 13.664 399 H3' DG 2 H3' DG 2 3.458 28.114 11.572 400 H2' DG 2 H2' DG 2 2.448 26.202 10.708 401 H2'' DG 2 H2'' DG 2 3.516 25.399 11.872 402 H1' DG 2 H1' DG 2 1.816 25.299 13.545 403 H8 DG 2 H8 DG 2 0.576 25.349 9.919 404 H1 DG 2 H1 DG 2 -1.346 20.278 13.397 405 H21 DG 2 H21 DG 2 0.476 21.813 15.876 406 H22 DG 2 H22 DG 2 -0.491 20.418 15.390 407 H5' DC 3 H5' DC 3 3.923 25.650 15.587 408 H5'' DC 3 H5'' DC 3 5.617 25.614 16.074 409 H4' DC 3 H4' DC 3 4.529 23.584 16.757 410 H3' DC 3 H3' DC 3 6.784 23.519 14.918 411 H2' DC 3 H2' DC 3 5.990 21.988 13.469 412 H2'' DC 3 H2'' DC 3 5.928 20.796 14.774 413 H1' DC 3 H1' DC 3 3.722 21.082 15.211 414 H41 DC 3 H41 DC 3 1.678 21.576 8.934 415 H42 DC 3 H42 DC 3 1.029 20.110 9.674 416 H5 DC 3 H5 DC 3 3.262 23.019 10.151 417 H6 DC 3 H6 DC 3 4.322 23.349 12.376 418 H5' DA 4 H5' DA 4 5.933 19.771 17.264 419 H5'' DA 4 H5'' DA 4 7.349 19.086 18.054 420 H4' DA 4 H4' DA 4 6.114 17.282 17.215 421 H3' DA 4 H3' DA 4 8.739 17.749 16.136 422 H2' DA 4 H2' DA 4 7.981 18.066 13.982 423 H2'' DA 4 H2'' DA 4 8.014 16.305 13.904 424 H1' DA 4 H1' DA 4 5.705 16.098 14.532 425 H8 DA 4 H8 DA 4 6.628 19.433 12.913 426 H61 DA 4 H61 DA 4 2.518 17.769 8.510 427 H62 DA 4 H62 DA 4 3.527 19.090 9.073 428 H2 DA 4 H2 DA 4 2.866 14.472 11.310 429 H5' DT 5 H5' DT 5 6.894 13.535 15.389 430 H5'' DT 5 H5'' DT 5 8.079 12.303 15.819 431 H4' DT 5 H4' DT 5 6.904 11.513 13.927 432 H3' DT 5 H3' DT 5 9.730 11.942 13.756 433 H2' DT 5 H2' DT 5 9.609 13.521 12.100 434 H2'' DT 5 H2'' DT 5 9.465 12.131 11.015 435 H1' DT 5 H1' DT 5 7.090 12.161 11.043 436 H3 DT 5 H3 DT 5 5.540 15.321 8.205 437 H71 DT 5 H71 DT 5 8.051 18.621 10.708 438 H72 DT 5 H72 DT 5 9.344 17.604 11.396 439 H73 DT 5 H73 DT 5 9.322 17.981 9.662 440 H6 DT 5 H6 DT 5 8.780 15.436 11.794 441 H5' DA 6 H5' DA 6 7.277 9.125 10.928 442 H5'' DA 6 H5'' DA 6 8.179 7.617 10.754 443 H4' DA 6 H4' DA 6 6.845 7.886 8.838 444 H3' DA 6 H3' DA 6 9.618 7.584 8.575 445 H2' DA 6 H2' DA 6 10.108 9.732 7.981 446 H2'' DA 6 H2'' DA 6 9.718 9.194 6.360 447 H1' DA 6 H1' DA 6 7.547 10.052 6.396 448 H8 DA 6 H8 DA 6 9.985 11.650 8.897 449 H61 DA 6 H61 DA 6 8.340 16.955 5.998 450 H62 DA 6 H62 DA 6 9.488 16.289 7.158 451 H2 DA 6 H2 DA 6 5.922 13.748 4.379 452 H5' DT 7 H5' DT 7 6.870 7.860 5.113 453 H5'' DT 7 H5'' DT 7 7.087 6.698 3.809 454 H4' DT 7 H4' DT 7 6.288 8.842 2.976 455 H3' DT 7 H3' DT 7 8.582 7.532 1.922 456 H2' DT 7 H2' DT 7 10.044 9.216 2.636 457 H2'' DT 7 H2'' DT 7 9.570 9.962 1.093 458 H1' DT 7 H1' DT 7 7.727 11.143 2.111 459 H3 DT 7 H3 DT 7 9.871 14.930 3.289 460 H71 DT 7 H71 DT 7 12.122 10.802 6.049 461 H72 DT 7 H72 DT 7 13.146 12.137 5.466 462 H73 DT 7 H73 DT 7 12.025 12.412 6.800 463 H6 DT 7 H6 DT 7 10.413 10.312 4.531 464 H5' DA 8 H5' DA 8 7.382 10.756 -1.424 465 H5'' DA 8 H5'' DA 8 7.495 9.847 -2.927 466 H4' DA 8 H4' DA 8 8.712 11.802 -3.321 467 H3' DA 8 H3' DA 8 10.421 9.417 -2.977 468 H2' DA 8 H2' DA 8 11.882 10.450 -1.612 469 H2'' DA 8 H2'' DA 8 12.373 11.419 -3.027 470 H1' DA 8 H1' DA 8 10.956 13.181 -2.522 471 H8 DA 8 H8 DA 8 11.599 11.026 0.705 472 H61 DA 8 H61 DA 8 13.434 16.627 2.927 473 H62 DA 8 H62 DA 8 13.206 14.961 3.459 474 H2 DA 8 H2 DA 8 12.221 17.164 -1.086 475 H5' DT 9 H5' DT 9 10.830 12.840 -5.999 476 H5'' DT 9 H5'' DT 9 11.419 12.188 -7.537 477 H4' DT 9 H4' DT 9 11.953 14.521 -7.449 478 H3' DT 9 H3' DT 9 13.940 12.565 -7.763 479 H2' DT 9 H2' DT 9 15.044 12.875 -5.816 480 H2'' DT 9 H2'' DT 9 15.789 14.264 -6.595 481 H1' DT 9 H1' DT 9 14.306 15.815 -5.701 482 H3 DT 9 H3 DT 9 15.344 16.435 -1.350 483 H71 DT 9 H71 DT 9 14.290 11.785 -0.567 484 H72 DT 9 H72 DT 9 14.623 11.079 -2.166 485 H73 DT 9 H73 DT 9 15.952 11.647 -1.132 486 H6 DT 9 H6 DT 9 14.170 12.528 -3.934 487 H5' DG 10 H5' DG 10 14.734 17.116 -8.281 488 H5'' DG 10 H5'' DG 10 15.519 17.376 -9.839 489 H4' DG 10 H4' DG 10 16.191 19.141 -8.422 490 H3' DG 10 H3' DG 10 18.103 17.486 -9.615 491 H2' DG 10 H2' DG 10 18.635 16.316 -7.679 492 H2'' DG 10 H2'' DG 10 19.813 17.618 -7.484 493 H1' DG 10 H1' DG 10 18.392 18.878 -6.060 494 H8 DG 10 H8 DG 10 17.738 15.106 -6.105 495 H1 DG 10 H1 DG 10 19.086 17.563 -0.308 496 H21 DG 10 H21 DG 10 19.433 20.483 -2.078 497 H22 DG 10 H22 DG 10 19.596 19.646 -0.530 498 H5' DC 11 H5' DC 11 19.455 21.415 -7.325 499 H5'' DC 11 H5'' DC 11 20.493 22.298 -8.441 500 H4' DC 11 H4' DC 11 21.083 22.916 -6.228 501 H3' DC 11 H3' DC 11 22.989 21.917 -7.998 502 H2' DC 11 H2' DC 11 23.316 19.860 -7.011 503 H2'' DC 11 H2'' DC 11 24.428 20.728 -5.954 504 H1' DC 11 H1' DC 11 22.884 21.023 -4.254 505 H41 DC 11 H41 DC 11 21.062 14.672 -3.960 506 H42 DC 11 H42 DC 11 21.427 15.254 -2.332 507 H5 DC 11 H5 DC 11 21.334 16.095 -5.908 508 H6 DC 11 H6 DC 11 21.843 18.423 -6.613 509 H5' DG 12 H5' DG 12 25.007 23.242 -4.059 510 H5'' DG 12 H5'' DG 12 26.587 23.998 -4.288 511 H4' DG 12 H4' DG 12 26.808 22.332 -2.595 512 H3' DG 12 H3' DG 12 28.046 21.511 -5.221 513 HO3' DG 12 H3T DG 12 29.218 23.006 -3.894 514 H2' DG 12 H2' DG 12 28.148 19.352 -4.640 515 H2'' DG 12 H2'' DG 12 28.770 19.724 -3.010 516 H1' DG 12 H1' DG 12 26.700 19.727 -2.049 517 H8 DG 12 H8 DG 12 25.869 18.761 -5.673 518 H1 DG 12 H1 DG 12 24.643 14.284 -1.193 519 H21 DG 12 H21 DG 12 26.054 16.632 0.904 520 H22 DG 12 H22 DG 12 25.445 14.986 0.743 521 H5' DC 13 H5' DC 13 25.192 7.474 3.620 522 H5'' DC 13 H5'' DC 13 24.605 7.526 5.277 523 H4' DC 13 H4' DC 13 25.997 9.439 4.858 524 H3' DC 13 H3' DC 13 23.405 9.614 5.850 525 H2' DC 13 H2' DC 13 22.424 10.543 3.956 526 H2'' DC 13 H2'' DC 13 22.973 12.067 4.679 527 H1' DC 13 H1' DC 13 24.988 12.083 3.478 528 H41 DC 13 H41 DC 13 22.047 11.691 -2.433 529 H42 DC 13 H42 DC 13 23.265 12.968 -2.484 530 H5 DC 13 H5 DC 13 21.627 10.384 -0.399 531 H6 DC 13 H6 DC 13 22.397 10.022 1.883 532 HO5' DC 13 H5T DC 13 22.934 6.905 3.756 533 H5' DG 14 H5' DG 14 26.063 13.806 6.082 534 H5'' DG 14 H5'' DG 14 25.860 14.188 7.790 535 H4' DG 14 H4' DG 14 26.133 16.246 6.761 536 H3' DG 14 H3' DG 14 23.754 15.794 8.114 537 H2' DG 14 H2' DG 14 22.404 15.486 6.229 538 H2'' DG 14 H2'' DG 14 22.236 17.222 6.326 539 H1' DG 14 H1' DG 14 23.854 17.651 4.710 540 H8 DG 14 H8 DG 14 22.363 14.137 4.572 541 H1 DG 14 H1 DG 14 22.312 17.344 -1.016 542 H21 DG 14 H21 DG 14 23.862 19.783 0.844 543 H22 DG 14 H22 DG 14 23.188 19.305 -0.717 544 H5' DC 15 H5' DC 15 24.194 19.904 6.195 545 H5'' DC 15 H5'' DC 15 23.552 21.289 7.082 546 H4' DC 15 H4' DC 15 22.981 21.420 4.731 547 H3' DC 15 H3' DC 15 20.732 21.058 6.662 548 H2' DC 15 H2' DC 15 19.347 20.181 5.128 549 H2'' DC 15 H2'' DC 15 19.663 21.502 3.982 550 H1' DC 15 H1' DC 15 21.326 20.437 2.889 551 H41 DC 15 H41 DC 15 18.578 14.454 2.556 552 H42 DC 15 H42 DC 15 18.513 15.243 0.974 553 H5 DC 15 H5 DC 15 19.352 15.683 4.548 554 H6 DC 15 H6 DC 15 20.385 17.820 5.268 555 H5' DA 16 H5' DA 16 20.719 23.668 3.094 556 H5'' DA 16 H5'' DA 16 20.157 25.318 3.361 557 H4' DA 16 H4' DA 16 19.524 24.697 1.179 558 H3' DA 16 H3' DA 16 17.560 25.445 3.074 559 H2' DA 16 H2' DA 16 16.674 23.321 3.268 560 H2'' DA 16 H2'' DA 16 15.656 23.849 1.928 561 H1' DA 16 H1' DA 16 17.115 22.899 0.272 562 H8 DA 16 H8 DA 16 17.350 21.281 3.722 563 H61 DA 16 H61 DA 16 15.685 16.046 0.718 564 H62 DA 16 H62 DA 16 16.241 16.655 2.267 565 H2 DA 16 H2 DA 16 15.417 19.316 -2.095 566 H5' DT 17 H5' DT 17 15.970 24.880 -1.198 567 H5'' DT 17 H5'' DT 17 14.907 26.195 -1.711 568 H4' DT 17 H4' DT 17 14.014 24.145 -2.521 569 H3' DT 17 H3' DT 17 12.468 25.748 -0.687 570 H2' DT 17 H2' DT 17 12.211 24.074 0.850 571 H2'' DT 17 H2'' DT 17 10.943 23.461 -0.226 572 H1' DT 17 H1' DT 17 12.462 22.053 -1.421 573 H3 DT 17 H3 DT 17 12.869 18.246 0.991 574 H71 DT 17 H71 DT 17 14.720 20.892 4.561 575 H72 DT 17 H72 DT 17 13.913 22.456 4.273 576 H73 DT 17 H73 DT 17 12.993 21.068 4.901 577 H6 DT 17 H6 DT 17 13.492 22.890 2.074 578 H5' DA 18 H5' DA 18 10.460 22.478 -2.935 579 H5'' DA 18 H5'' DA 18 9.115 23.077 -3.908 580 H4' DA 18 H4' DA 18 8.434 20.971 -3.252 581 H3' DA 18 H3' DA 18 7.006 23.122 -1.880 582 H2' DA 18 H2' DA 18 7.482 22.326 0.187 583 H2'' DA 18 H2'' DA 18 6.186 21.156 -0.154 584 H1' DA 18 H1' DA 18 7.688 19.518 -0.918 585 H8 DA 18 H8 DA 18 9.064 21.933 1.733 586 H61 DA 18 H61 DA 18 10.927 16.532 4.422 587 H62 DA 18 H62 DA 18 10.842 18.266 4.751 588 H2 DA 18 H2 DA 18 9.460 15.638 0.529 589 H5' DT 19 H5' DT 19 5.763 18.824 -2.375 590 H5'' DT 19 H5'' DT 19 4.221 18.791 -3.232 591 H4' DT 19 H4' DT 19 3.958 16.999 -1.750 592 H3' DT 19 H3' DT 19 2.398 19.319 -1.090 593 H2' DT 19 H2' DT 19 3.696 19.892 0.715 594 H2'' DT 19 H2'' DT 19 2.536 18.814 1.540 595 H1' DT 19 H1' DT 19 3.929 16.869 1.150 596 H3 DT 19 H3 DT 19 6.930 16.480 4.448 597 H71 DT 19 H71 DT 19 7.759 21.203 4.213 598 H72 DT 19 H72 DT 19 6.460 21.754 3.134 599 H73 DT 19 H73 DT 19 6.109 21.310 4.820 600 H6 DT 19 H6 DT 19 5.388 20.175 1.786 601 H5' DA 20 H5' DA 20 -1.387 15.572 -0.184 602 H5'' DA 20 H5'' DA 20 -0.071 16.300 0.721 603 H4' DA 20 H4' DA 20 -0.053 13.359 -0.025 604 H3' DA 20 H3' DA 20 -1.955 14.616 1.561 605 H2' DA 20 H2' DA 20 -0.526 15.576 3.067 606 H2'' DA 20 H2'' DA 20 -0.696 14.035 3.915 607 H1' DA 20 H1' DA 20 1.309 13.157 3.115 608 H8 DA 20 H8 DA 20 1.610 16.935 2.225 609 H61 DA 20 H61 DA 20 5.171 17.381 7.287 610 H62 DA 20 H62 DA 20 4.411 18.300 5.991 611 H2 DA 20 H2 DA 20 3.892 13.255 6.990 612 H5' DT 21 H5' DT 21 -0.484 11.148 3.892 613 H5'' DT 21 H5'' DT 21 -1.841 10.027 3.991 614 H4' DT 21 H4' DT 21 -0.729 9.753 6.013 615 H3' DT 21 H3' DT 21 -3.328 10.682 6.110 616 H2' DT 21 H2' DT 21 -2.870 12.893 6.621 617 H2'' DT 21 H2'' DT 21 -2.884 12.264 8.286 618 H1' DT 21 H1' DT 21 -0.597 11.987 8.389 619 H3 DT 21 H3 DT 21 1.902 15.728 8.735 620 H71 DT 21 H71 DT 21 -1.886 16.580 4.884 621 H72 DT 21 H72 DT 21 -1.448 17.877 6.012 622 H73 DT 21 H73 DT 21 -0.298 17.386 4.761 623 H6 DT 21 H6 DT 21 -1.741 14.476 5.804 624 H5' DG 22 H5' DG 22 -1.245 9.823 10.168 625 H5'' DG 22 H5'' DG 22 -2.344 8.988 11.292 626 H4' DG 22 H4' DG 22 -1.130 10.570 12.553 627 H3' DG 22 H3' DG 22 -3.981 10.880 12.348 628 H2' DG 22 H2' DG 22 -3.803 12.941 11.279 629 H2'' DG 22 H2'' DG 22 -3.669 13.545 12.952 630 H1' DG 22 H1' DG 22 -1.262 13.376 12.901 631 H8 DG 22 H8 DG 22 -2.955 14.203 9.559 632 H1 DG 22 H1 DG 22 1.086 18.657 11.889 633 H21 DG 22 H21 DG 22 1.371 16.401 14.471 634 H22 DG 22 H22 DG 22 1.788 17.999 13.839 635 H5' DC 23 H5' DC 23 -1.262 12.548 15.858 636 H5'' DC 23 H5'' DC 23 -2.075 12.016 17.330 637 H4' DC 23 H4' DC 23 -0.736 13.884 17.892 638 H3' DC 23 H3' DC 23 -3.486 13.902 18.375 639 H2' DC 23 H2' DC 23 -4.100 15.437 16.774 640 H2'' DC 23 H2'' DC 23 -3.658 16.634 17.972 641 H1' DC 23 H1' DC 23 -1.528 16.990 17.118 642 H41 DC 23 H41 DC 23 -3.794 17.928 10.966 643 H42 DC 23 H42 DC 23 -2.791 19.305 11.439 644 H5 DC 23 H5 DC 23 -4.213 16.071 12.493 645 H6 DC 23 H6 DC 23 -3.617 15.177 14.735 646 H5' DG 24 H5' DG 24 -1.676 17.718 20.194 647 H5'' DG 24 H5'' DG 24 -2.418 18.168 21.729 648 H4' DG 24 H4' DG 24 -2.423 20.100 20.358 649 H3' DG 24 H3' DG 24 -5.173 18.846 20.488 650 HO3' DG 24 H3T DG 24 -4.479 20.017 22.363 651 H2' DG 24 H2' DG 24 -5.911 20.085 18.774 652 H2'' DG 24 H2'' DG 24 -5.128 21.568 19.372 653 H1' DG 24 H1' DG 24 -3.223 21.233 18.157 654 H8 DG 24 H8 DG 24 -5.388 18.275 17.000 655 H1 DG 24 H1 DG 24 -4.087 22.807 12.579 656 H21 DG 24 H21 DG 24 -2.403 24.248 15.228 657 H22 DG 24 H22 DG 24 -2.927 24.411 13.555 Start of MODEL 2 1 H ALA 79 H1 ALA 79 -1.855 6.043 9.062 2 HA ALA 79 HA ALA 79 1.066 5.733 9.474 3 HB1 ALA 79 HB1 ALA 79 -0.163 3.601 9.349 4 HB2 ALA 79 HB2 ALA 79 -1.009 4.152 7.893 5 HB3 ALA 79 HB3 ALA 79 0.749 3.846 7.846 6 H ARG 80 H ARG 80 2.367 5.995 7.625 7 HA ARG 80 HA ARG 80 1.821 8.238 5.898 8 HB2 ARG 80 HB2 ARG 80 4.025 6.151 5.907 9 HB3 ARG 80 HB3 ARG 80 4.016 7.554 4.835 10 HG2 ARG 80 HG2 ARG 80 3.711 7.910 7.819 11 HG3 ARG 80 HG3 ARG 80 5.310 7.700 7.098 12 HD2 ARG 80 HD2 ARG 80 5.168 9.727 5.896 13 HD3 ARG 80 HD3 ARG 80 3.413 9.804 6.041 14 HE ARG 80 HE ARG 80 5.429 10.514 8.112 15 HH11 ARG 80 HH12 ARG 80 1.978 10.361 7.334 16 HH12 ARG 80 HH11 ARG 80 1.608 11.422 8.660 17 HH21 ARG 80 HH22 ARG 80 4.710 12.020 9.639 18 HH22 ARG 80 HH21 ARG 80 2.993 12.222 9.898 19 H LYS 81 H LYS 81 -0.332 7.175 5.270 20 HA LYS 81 HA LYS 81 -0.722 5.200 3.329 21 HB2 LYS 81 HB2 LYS 81 -2.179 7.787 4.040 22 HB3 LYS 81 HB3 LYS 81 -2.804 6.661 2.849 23 HG2 LYS 81 HG2 LYS 81 -3.431 5.099 4.388 24 HG3 LYS 81 HG3 LYS 81 -2.118 5.477 5.521 25 HD2 LYS 81 HD2 LYS 81 -3.232 7.465 6.296 26 HD3 LYS 81 HD3 LYS 81 -4.503 7.319 5.067 27 HE2 LYS 81 HE2 LYS 81 -5.359 5.284 6.059 28 HE3 LYS 81 HE3 LYS 81 -3.969 5.138 7.134 29 HZ1 LYS 81 HZ1 LYS 81 -4.675 7.101 8.327 30 HZ2 LYS 81 HZ2 LYS 81 -5.918 7.381 7.295 31 HZ3 LYS 81 HZ3 LYS 81 -5.941 6.064 8.276 32 H VAL 82 H VAL 82 -0.507 5.072 1.358 33 HA VAL 82 HA VAL 82 0.749 7.050 -0.397 34 HB VAL 82 HB VAL 82 -0.555 4.358 -0.987 35 HG11 VAL 82 HG11 VAL 82 -0.604 5.526 -3.040 36 HG12 VAL 82 HG12 VAL 82 1.035 6.205 -2.807 37 HG13 VAL 82 HG13 VAL 82 0.798 4.472 -3.124 38 HG21 VAL 82 HG21 VAL 82 1.430 4.223 0.477 39 HG22 VAL 82 HG22 VAL 82 1.674 3.465 -1.105 40 HG23 VAL 82 HG23 VAL 82 2.383 5.060 -0.786 41 H LYS 83 H LYS 83 -0.220 8.473 -1.727 42 HA LYS 83 HA LYS 83 -3.095 8.136 -2.392 43 HB2 LYS 83 HB2 LYS 83 -1.405 10.577 -1.932 44 HB3 LYS 83 HB3 LYS 83 -2.549 10.610 -3.295 45 HG2 LYS 83 HG2 LYS 83 -4.422 10.078 -1.896 46 HG3 LYS 83 HG3 LYS 83 -3.383 9.932 -0.457 47 HD2 LYS 83 HD2 LYS 83 -2.841 12.275 -0.506 48 HD3 LYS 83 HD3 LYS 83 -3.457 12.450 -2.152 49 HE2 LYS 83 HE2 LYS 83 -5.091 13.471 -0.813 50 HE3 LYS 83 HE3 LYS 83 -5.764 11.928 -1.359 51 HZ1 LYS 83 HZ1 LYS 83 -6.223 12.191 0.995 52 HZ2 LYS 83 HZ2 LYS 83 -5.073 11.019 0.885 53 HZ3 LYS 83 HZ3 LYS 83 -4.660 12.514 1.366 54 H GLN 84 H GLN 84 -3.500 7.624 -4.423 55 HA GLN 84 HA GLN 84 -1.320 7.606 -6.415 56 HB2 GLN 84 HB2 GLN 84 -2.315 5.626 -6.906 57 HB3 GLN 84 HB3 GLN 84 -3.812 6.028 -6.048 58 HG2 GLN 84 HG2 GLN 84 -4.580 7.299 -7.969 59 HG3 GLN 84 HG3 GLN 84 -3.067 6.930 -8.848 60 HE21 GLN 84 HE22 GLN 84 -2.627 4.451 -9.158 61 HE22 GLN 84 HE21 GLN 84 -4.057 3.469 -9.417 62 H TYR 85 H TYR 85 -1.556 8.936 -8.158 63 HA TYR 85 HA TYR 85 -3.844 10.864 -8.222 64 HB2 TYR 85 HB2 TYR 85 -0.932 11.596 -8.759 65 HB3 TYR 85 HB3 TYR 85 -2.318 12.667 -8.831 66 HD1 TYR 85 HD2 TYR 85 0.043 10.914 -6.584 67 HD2 TYR 85 HD1 TYR 85 -3.344 13.555 -6.824 68 HE1 TYR 85 HE2 TYR 85 0.449 11.652 -4.246 69 HE2 TYR 85 HE1 TYR 85 -2.964 14.310 -4.484 70 HH TYR 85 HH TYR 85 -1.486 14.190 -2.646 71 H LYS 86 H LYS 86 -4.621 11.213 -10.307 72 HA LYS 86 HA LYS 86 -3.171 10.003 -12.632 73 HB2 LYS 86 HB2 LYS 86 -4.832 8.394 -11.920 74 HB3 LYS 86 HB3 LYS 86 -6.088 9.635 -11.812 75 HG2 LYS 86 HG2 LYS 86 -6.153 9.926 -14.199 76 HG3 LYS 86 HG3 LYS 86 -4.687 8.968 -14.438 77 HD2 LYS 86 HD2 LYS 86 -5.896 6.961 -13.527 78 HD3 LYS 86 HD3 LYS 86 -7.369 7.949 -13.407 79 HE2 LYS 86 HE2 LYS 86 -7.234 8.388 -15.879 80 HE3 LYS 86 HE3 LYS 86 -5.794 7.365 -15.963 81 HZ1 LYS 86 HZ1 LYS 86 -7.178 5.480 -15.223 82 HZ2 LYS 86 HZ2 LYS 86 -8.506 6.433 -15.124 83 HZ3 LYS 86 HZ3 LYS 86 -7.819 6.130 -16.572 84 H ASN 87 H ASN 87 -3.202 11.236 -14.436 85 HA ASN 87 HA ASN 87 -4.416 13.945 -14.139 86 HB2 ASN 87 HB2 ASN 87 -2.041 13.699 -14.302 87 HB3 ASN 87 HB3 ASN 87 -2.168 12.939 -15.892 88 HD21 ASN 87 HD21 ASN 87 -0.735 15.391 -15.181 89 HD22 ASN 87 HD22 ASN 87 -1.540 16.685 -16.062 90 HA PRO 88 HA PRO 88 -7.545 12.683 -17.228 91 HB2 PRO 88 HB2 PRO 88 -8.102 15.635 -16.889 92 HB3 PRO 88 HB3 PRO 88 -9.265 14.279 -17.000 93 HG2 PRO 88 HG2 PRO 88 -8.670 15.359 -14.593 94 HG3 PRO 88 HG3 PRO 88 -8.771 13.579 -14.767 95 HD2 PRO 88 HD2 PRO 88 -6.306 15.323 -14.719 96 HD3 PRO 88 HD3 PRO 88 -6.623 13.765 -13.898 97 H HIS 89 H HIS 89 -5.197 15.327 -17.507 98 HA HIS 89 HA HIS 89 -5.826 15.889 -20.323 99 HB2 HIS 89 HB2 HIS 89 -3.618 16.987 -18.534 100 HB3 HIS 89 HB3 HIS 89 -4.138 17.646 -20.080 101 HD1 HIS 89 HD1 HIS 89 -6.728 18.700 -20.102 102 HD2 HIS 89 HD2 HIS 89 -4.951 17.775 -16.386 103 HE1 HIS 89 HE1 HIS 89 -8.118 19.923 -18.308 104 HE2 HIS 89 HE2 HIS 89 -7.026 19.366 -16.047 105 H THR 90 H THR 90 -3.579 13.796 -18.692 106 HA THR 90 HA THR 90 -2.055 13.360 -21.252 107 HB THR 90 HB THR 90 -0.093 12.942 -19.922 108 HG1 THR 90 HG1 THR 90 -0.226 13.192 -17.647 109 HG21 THR 90 HG21 THR 90 0.328 15.092 -18.887 110 HG22 THR 90 HG22 THR 90 -0.637 15.373 -20.349 111 HG23 THR 90 HG23 THR 90 -1.412 15.426 -18.747 112 H GLY 91 H GLY 91 -3.794 11.780 -18.642 113 HA2 GLY 91 HA2 GLY 91 -4.445 9.578 -18.420 114 HA3 GLY 91 HA3 GLY 91 -3.563 9.141 -19.891 115 H GLU 92 H GLU 92 -1.541 10.866 -17.641 116 HA GLU 92 HA GLU 92 -0.070 8.453 -16.957 117 HB2 GLU 92 HB2 GLU 92 0.378 11.409 -16.545 118 HB3 GLU 92 HB3 GLU 92 1.316 10.224 -15.643 119 HG2 GLU 92 HG2 GLU 92 1.128 10.003 -18.637 120 HG3 GLU 92 HG3 GLU 92 2.264 11.131 -17.860 121 H VAL 93 H VAL 93 0.381 7.926 -14.916 122 HA VAL 93 HA VAL 93 -1.322 8.810 -12.649 123 HB VAL 93 HB VAL 93 -0.578 5.981 -13.325 124 HG11 VAL 93 HG11 VAL 93 -2.404 5.359 -11.684 125 HG12 VAL 93 HG12 VAL 93 -1.067 6.179 -10.903 126 HG13 VAL 93 HG13 VAL 93 -2.568 7.068 -11.254 127 HG21 VAL 93 HG21 VAL 93 -3.037 5.670 -13.899 128 HG22 VAL 93 HG22 VAL 93 -3.203 7.441 -13.806 129 HG23 VAL 93 HG23 VAL 93 -2.153 6.709 -15.025 130 H ILE 94 H ILE 94 -0.441 8.392 -10.639 131 HA ILE 94 HA ILE 94 2.366 7.612 -10.255 132 HB ILE 94 HB ILE 94 1.836 9.885 -8.554 133 HG12 ILE 94 HG12 ILE 94 1.863 10.750 -11.468 134 HG13 ILE 94 HG13 ILE 94 0.442 10.781 -10.413 135 HG21 ILE 94 HG21 ILE 94 4.028 10.554 -9.158 136 HG22 ILE 94 HG22 ILE 94 4.038 8.802 -9.107 137 HG23 ILE 94 HG23 ILE 94 3.974 9.638 -10.690 138 HD11 ILE 94 HD11 ILE 94 1.688 12.234 -8.813 139 HD12 ILE 94 HD12 ILE 94 2.986 12.362 -10.022 140 HD13 ILE 94 HD13 ILE 94 1.372 12.982 -10.398 141 H GLU 95 H GLU 95 2.843 7.534 -7.946 142 HA GLU 95 HA GLU 95 0.669 7.287 -5.972 143 HB2 GLU 95 HB2 GLU 95 2.485 5.070 -6.923 144 HB3 GLU 95 HB3 GLU 95 1.894 5.094 -5.238 145 HG2 GLU 95 HG2 GLU 95 -0.403 5.062 -5.953 146 HG3 GLU 95 HG3 GLU 95 0.065 5.158 -7.654 147 H THR 96 H THR 96 1.380 8.467 -4.275 148 HA THR 96 HA THR 96 4.186 8.230 -3.346 149 HB THR 96 HB THR 96 4.885 10.300 -3.719 150 HG1 THR 96 HG1 THR 96 3.661 12.142 -3.414 151 HG21 THR 96 HG21 THR 96 2.498 10.581 -5.612 152 HG22 THR 96 HG22 THR 96 3.971 11.576 -5.625 153 HG23 THR 96 HG23 THR 96 4.075 9.871 -6.043 154 H LYS 97 H LYS 97 4.463 8.774 -1.118 155 HA LYS 97 HA LYS 97 1.946 8.814 0.488 156 HB2 LYS 97 HB2 LYS 97 4.826 8.640 1.354 157 HB3 LYS 97 HB3 LYS 97 3.424 8.365 2.379 158 HG2 LYS 97 HG2 LYS 97 2.859 6.332 1.212 159 HG3 LYS 97 HG3 LYS 97 4.101 6.604 -0.021 160 HD2 LYS 97 HD2 LYS 97 5.875 6.418 1.626 161 HD3 LYS 97 HD3 LYS 97 4.689 6.192 2.934 162 HE2 LYS 97 HE2 LYS 97 3.908 4.106 1.900 163 HE3 LYS 97 HE3 LYS 97 4.984 4.354 0.513 164 HZ1 LYS 97 HZ1 LYS 97 6.892 4.141 2.022 165 HZ2 LYS 97 HZ2 LYS 97 5.912 3.932 3.320 166 HZ3 LYS 97 HZ3 LYS 97 5.958 2.810 2.136 167 H GLY 98 H GLY 98 3.409 11.160 -1.044 168 HA2 GLY 98 HA2 GLY 98 2.733 13.479 -0.355 169 HA3 GLY 98 HA3 GLY 98 3.580 13.159 1.161 170 H GLY 99 H GLY 99 4.713 15.092 0.574 171 HA2 GLY 99 HA2 GLY 99 6.732 16.033 0.272 172 HA3 GLY 99 HA3 GLY 99 7.339 14.469 -0.243 173 H ASN 100 H ASN 100 8.428 16.663 -1.157 174 HA ASN 100 HA ASN 100 7.813 17.592 -3.767 175 HB2 ASN 100 HB2 ASN 100 9.473 18.697 -2.447 176 HB3 ASN 100 HB3 ASN 100 10.270 17.194 -2.059 177 HD21 ASN 100 HD22 ASN 100 12.084 18.688 -2.541 178 HD22 ASN 100 HD21 ASN 100 12.778 18.343 -4.116 179 H HIS 101 H HIS 101 7.134 16.115 -5.247 180 HA HIS 101 HA HIS 101 9.017 13.958 -6.063 181 HB2 HIS 101 HB2 HIS 101 7.074 13.069 -4.722 182 HB3 HIS 101 HB3 HIS 101 5.985 13.659 -5.964 183 HD1 HIS 101 HD1 HIS 101 8.939 11.093 -5.606 184 HD2 HIS 101 HD2 HIS 101 5.605 12.052 -8.036 185 HE1 HIS 101 HE1 HIS 101 8.698 9.187 -7.284 186 HE2 HIS 101 HE2 HIS 101 6.697 9.768 -8.790 187 H LYS 102 H LYS 102 9.444 13.880 -8.218 188 HA LYS 102 HA LYS 102 9.280 16.217 -9.665 189 HB2 LYS 102 HB2 LYS 102 10.889 14.341 -9.903 190 HB3 LYS 102 HB3 LYS 102 9.726 13.491 -10.942 191 HG2 LYS 102 HG2 LYS 102 9.812 15.306 -12.572 192 HG3 LYS 102 HG3 LYS 102 10.656 16.346 -11.418 193 HD2 LYS 102 HD2 LYS 102 12.479 14.403 -11.449 194 HD3 LYS 102 HD3 LYS 102 11.745 14.021 -13.022 195 HE2 LYS 102 HE2 LYS 102 12.123 16.327 -13.781 196 HE3 LYS 102 HE3 LYS 102 12.586 16.798 -12.133 197 HZ1 LYS 102 HZ1 LYS 102 14.146 14.894 -13.814 198 HZ2 LYS 102 HZ2 LYS 102 14.552 16.461 -13.548 199 HZ3 LYS 102 HZ3 LYS 102 14.543 15.398 -12.297 200 H THR 103 H THR 103 7.416 13.374 -10.930 201 HA THR 103 HA THR 103 5.988 14.899 -12.826 202 HB THR 103 HB THR 103 4.958 12.391 -11.465 203 HG1 THR 103 HG1 THR 103 6.038 11.370 -13.198 204 HG21 THR 103 HG21 THR 103 3.212 13.374 -12.782 205 HG22 THR 103 HG22 THR 103 4.342 13.838 -14.070 206 HG23 THR 103 HG23 THR 103 3.904 12.121 -13.820 207 H LEU 104 H LEU 104 5.067 14.170 -9.474 208 HA LEU 104 HA LEU 104 2.458 15.304 -9.502 209 HB2 LEU 104 HB2 LEU 104 3.422 13.772 -7.766 210 HB3 LEU 104 HB3 LEU 104 4.492 15.065 -7.232 211 HG LEU 104 HG LEU 104 2.558 16.397 -6.492 212 HD11 LEU 104 HD11 LEU 104 0.812 15.556 -8.043 213 HD12 LEU 104 HD12 LEU 104 0.914 13.946 -7.290 214 HD13 LEU 104 HD13 LEU 104 0.316 15.323 -6.358 215 HD21 LEU 104 HD21 LEU 104 3.664 14.830 -4.933 216 HD22 LEU 104 HD22 LEU 104 1.940 14.999 -4.581 217 HD23 LEU 104 HD23 LEU 104 2.525 13.549 -5.415 218 H LYS 105 H LYS 105 5.659 16.834 -9.001 219 HA LYS 105 HA LYS 105 4.583 19.454 -8.377 220 HB2 LYS 105 HB2 LYS 105 6.837 18.758 -7.647 221 HB3 LYS 105 HB3 LYS 105 7.344 18.548 -9.317 222 HG2 LYS 105 HG2 LYS 105 8.251 20.615 -8.445 223 HG3 LYS 105 HG3 LYS 105 7.137 20.942 -9.756 224 HD2 LYS 105 HD2 LYS 105 6.754 22.597 -8.108 225 HD3 LYS 105 HD3 LYS 105 5.365 21.519 -8.007 226 HE2 LYS 105 HE2 LYS 105 6.508 20.355 -6.048 227 HE3 LYS 105 HE3 LYS 105 7.825 21.528 -6.194 228 HZ1 LYS 105 HZ1 LYS 105 6.028 23.292 -5.831 229 HZ2 LYS 105 HZ2 LYS 105 5.005 22.063 -5.376 230 HZ3 LYS 105 HZ3 LYS 105 6.343 22.342 -4.531 231 H GLU 106 H GLU 106 5.436 17.849 -11.466 232 HA GLU 106 HA GLU 106 5.315 20.280 -12.999 233 HB2 GLU 106 HB2 GLU 106 4.602 17.523 -14.019 234 HB3 GLU 106 HB3 GLU 106 5.166 18.932 -14.952 235 HG2 GLU 106 HG2 GLU 106 7.309 18.706 -13.497 236 HG3 GLU 106 HG3 GLU 106 6.612 17.135 -13.052 237 H TRP 107 H TRP 107 2.990 17.748 -12.215 238 HA TRP 107 HA TRP 107 0.764 18.875 -13.605 239 HB2 TRP 107 HB2 TRP 107 0.743 17.216 -11.067 240 HB3 TRP 107 HB3 TRP 107 -0.649 17.558 -12.095 241 HD1 TRP 107 HD1 TRP 107 2.123 16.763 -14.386 242 HE1 TRP 107 HE1 TRP 107 2.025 14.314 -15.126 243 HE3 TRP 107 HE3 TRP 107 -1.327 15.020 -11.020 244 HZ2 TRP 107 HZ2 TRP 107 0.822 11.887 -14.232 245 HZ3 TRP 107 HZ3 TRP 107 -1.989 12.632 -11.063 246 HH2 TRP 107 HH2 TRP 107 -0.893 11.051 -12.641 247 H LYS 108 H LYS 108 1.913 19.593 -10.304 248 HA LYS 108 HA LYS 108 -0.210 21.464 -9.668 249 HB2 LYS 108 HB2 LYS 108 2.657 21.238 -8.641 250 HB3 LYS 108 HB3 LYS 108 1.473 22.405 -8.033 251 HG2 LYS 108 HG2 LYS 108 -0.069 20.493 -7.492 252 HG3 LYS 108 HG3 LYS 108 1.230 19.378 -7.916 253 HD2 LYS 108 HD2 LYS 108 2.710 20.544 -6.238 254 HD3 LYS 108 HD3 LYS 108 1.323 21.544 -5.765 255 HE2 LYS 108 HE2 LYS 108 0.064 19.341 -5.289 256 HE3 LYS 108 HE3 LYS 108 1.587 18.503 -5.598 257 HZ1 LYS 108 HZ1 LYS 108 1.540 18.812 -3.309 258 HZ2 LYS 108 HZ2 LYS 108 2.538 20.053 -3.808 259 HZ3 LYS 108 HZ3 LYS 108 0.993 20.368 -3.377 260 H ALA 109 H ALA 109 2.890 21.833 -11.439 261 HA ALA 109 HA ALA 109 2.794 24.687 -11.577 262 HB1 ALA 109 HB1 ALA 109 4.494 24.406 -13.307 263 HB2 ALA 109 HB2 ALA 109 4.828 23.233 -12.000 264 HB3 ALA 109 HB3 ALA 109 4.082 22.709 -13.529 265 H LYS 110 H LYS 110 1.933 22.107 -13.846 266 HA LYS 110 HA LYS 110 1.147 23.726 -15.898 267 HB2 LYS 110 HB2 LYS 110 0.889 20.791 -15.307 268 HB3 LYS 110 HB3 LYS 110 0.215 21.455 -16.812 269 HG2 LYS 110 HG2 LYS 110 2.435 22.347 -17.428 270 HG3 LYS 110 HG3 LYS 110 3.119 21.752 -15.917 271 HD2 LYS 110 HD2 LYS 110 3.765 20.159 -17.535 272 HD3 LYS 110 HD3 LYS 110 2.453 19.411 -16.628 273 HE2 LYS 110 HE2 LYS 110 1.949 18.899 -18.869 274 HE3 LYS 110 HE3 LYS 110 0.874 20.250 -18.494 275 HZ1 LYS 110 HZ1 LYS 110 1.978 20.550 -20.651 276 HZ2 LYS 110 HZ2 LYS 110 2.462 21.735 -19.643 277 HZ3 LYS 110 HZ3 LYS 110 3.459 20.484 -19.973 278 H TRP 111 H TRP 111 -0.868 22.191 -13.440 279 HA TRP 111 HA TRP 111 -3.303 23.560 -14.553 280 HB2 TRP 111 HB2 TRP 111 -3.190 20.746 -13.441 281 HB3 TRP 111 HB3 TRP 111 -4.636 21.591 -13.972 282 HD1 TRP 111 HD1 TRP 111 -4.839 22.069 -16.656 283 HE1 TRP 111 HE1 TRP 111 -3.882 20.834 -18.690 284 HE3 TRP 111 HE3 TRP 111 -1.239 19.347 -14.299 285 HZ2 TRP 111 HZ2 TRP 111 -1.773 18.923 -19.230 286 HZ3 TRP 111 HZ3 TRP 111 0.332 17.910 -15.618 287 HH2 TRP 111 HH2 TRP 111 0.031 17.630 -18.051 288 H GLY 112 H GLY 112 -2.052 22.008 -11.527 289 HA2 GLY 112 HA2 GLY 112 -1.882 23.973 -9.825 290 HA3 GLY 112 HA3 GLY 112 -3.630 24.015 -9.928 291 HA PRO 113 HA PRO 113 -2.043 20.775 -6.748 292 HB2 PRO 113 HB2 PRO 113 -2.424 22.214 -4.394 293 HB3 PRO 113 HB3 PRO 113 -0.875 22.002 -5.255 294 HG2 PRO 113 HG2 PRO 113 -2.800 24.323 -5.384 295 HG3 PRO 113 HG3 PRO 113 -1.008 24.356 -5.286 296 HD2 PRO 113 HD2 PRO 113 -2.337 24.737 -7.621 297 HD3 PRO 113 HD3 PRO 113 -0.786 23.842 -7.572 298 H GLU 114 H GLU 114 -4.772 23.107 -6.634 299 HA GLU 114 HA GLU 114 -6.560 21.563 -5.048 300 HB2 GLU 114 HB2 GLU 114 -7.348 23.287 -7.410 301 HB3 GLU 114 HB3 GLU 114 -8.259 22.921 -5.916 302 HG2 GLU 114 HG2 GLU 114 -6.457 24.208 -4.664 303 HG3 GLU 114 HG3 GLU 114 -5.800 24.658 -6.246 304 H ALA 115 H ALA 115 -6.036 21.728 -8.485 305 HA ALA 115 HA ALA 115 -7.965 19.849 -9.395 306 HB1 ALA 115 HB1 ALA 115 -5.241 20.366 -10.682 307 HB2 ALA 115 HB2 ALA 115 -6.771 19.944 -11.468 308 HB3 ALA 115 HB3 ALA 115 -6.586 21.559 -10.739 309 H VAL 116 H VAL 116 -4.477 19.536 -8.870 310 HA VAL 116 HA VAL 116 -4.157 16.900 -9.413 311 HB VAL 116 HB VAL 116 -2.639 18.868 -7.712 312 HG11 VAL 116 HG11 VAL 116 -1.626 16.087 -8.373 313 HG12 VAL 116 HG12 VAL 116 -0.664 17.441 -7.707 314 HG13 VAL 116 HG13 VAL 116 -1.953 16.725 -6.745 315 HG21 VAL 116 HG21 VAL 116 -1.161 18.894 -9.648 316 HG22 VAL 116 HG22 VAL 116 -2.040 17.517 -10.369 317 HG23 VAL 116 HG23 VAL 116 -2.827 19.093 -10.235 318 H GLU 117 H GLU 117 -4.744 18.315 -6.158 319 HA GLU 117 HA GLU 117 -4.762 15.770 -4.746 320 HB2 GLU 117 HB2 GLU 117 -5.968 18.511 -4.113 321 HB3 GLU 117 HB3 GLU 117 -6.009 17.126 -3.021 322 HG2 GLU 117 HG2 GLU 117 -3.539 17.071 -2.956 323 HG3 GLU 117 HG3 GLU 117 -3.465 18.464 -4.040 324 H SER 118 H SER 118 -7.274 17.646 -6.486 325 HA SER 118 HA SER 118 -9.511 16.116 -5.448 326 HB2 SER 118 HB2 SER 118 -9.337 17.778 -7.995 327 HB3 SER 118 HB3 SER 118 -10.814 17.094 -7.297 328 HG SER 118 HG SER 118 -9.107 19.086 -6.242 329 H TRP 119 H TRP 119 -7.331 15.680 -8.197 330 HA TRP 119 HA TRP 119 -8.774 13.451 -9.363 331 HB2 TRP 119 HB2 TRP 119 -5.815 14.053 -9.582 332 HB3 TRP 119 HB3 TRP 119 -6.821 13.102 -10.661 333 HD1 TRP 119 HD1 TRP 119 -9.113 15.529 -10.855 334 HE1 TRP 119 HE1 TRP 119 -8.601 17.489 -12.431 335 HE3 TRP 119 HE3 TRP 119 -4.053 14.870 -11.356 336 HZ2 TRP 119 HZ2 TRP 119 -6.279 18.655 -13.703 337 HZ3 TRP 119 HZ3 TRP 119 -2.727 16.399 -12.803 338 HH2 TRP 119 HH2 TRP 119 -3.824 18.290 -13.964 339 H ALA 120 H ALA 120 -6.983 13.575 -6.376 340 HA ALA 120 HA ALA 120 -5.546 11.182 -6.690 341 HB1 ALA 120 HB1 ALA 120 -5.061 13.093 -5.074 342 HB2 ALA 120 HB2 ALA 120 -6.317 12.396 -4.025 343 HB3 ALA 120 HB3 ALA 120 -4.878 11.436 -4.444 344 H THR 121 H THR 121 -5.597 9.553 -5.214 345 HA THR 121 HA THR 121 -8.154 8.131 -4.448 346 HB THR 121 HB THR 121 -5.828 7.068 -6.071 347 HG1 THR 121 HG1 THR 121 -7.405 6.896 -7.752 348 HG21 THR 121 HG21 THR 121 -8.453 5.893 -5.087 349 HG22 THR 121 HG22 THR 121 -7.478 5.103 -6.361 350 HG23 THR 121 HG23 THR 121 -6.810 5.294 -4.733 351 H LEU 122 H LEU 122 -7.890 6.881 -2.645 352 HA LEU 122 HA LEU 122 -5.324 7.218 -1.146 353 HB2 LEU 122 HB2 LEU 122 -7.246 8.142 -0.055 354 HB3 LEU 122 HB3 LEU 122 -8.208 6.698 -0.356 355 HG LEU 122 HG LEU 122 -6.821 5.389 1.199 356 HD11 LEU 122 HD11 LEU 122 -5.209 6.434 2.710 357 HD12 LEU 122 HD12 LEU 122 -4.643 6.551 1.046 358 HD13 LEU 122 HD13 LEU 122 -5.351 7.977 1.831 359 HD21 LEU 122 HD21 LEU 122 -7.815 7.985 2.422 360 HD22 LEU 122 HD22 LEU 122 -8.811 6.567 2.027 361 HD23 LEU 122 HD23 LEU 122 -7.565 6.445 3.280 362 H LEU 123 H LEU 123 -4.028 5.556 -0.921 363 HA LEU 123 HA LEU 123 -4.967 2.754 -1.344 364 HB2 LEU 123 HB2 LEU 123 -2.371 4.117 -2.182 365 HB3 LEU 123 HB3 LEU 123 -2.740 2.399 -2.375 366 HG LEU 123 HG LEU 123 -4.205 4.744 -3.686 367 HD11 LEU 123 HD11 LEU 123 -2.286 2.626 -4.749 368 HD12 LEU 123 HD12 LEU 123 -3.182 3.776 -5.757 369 HD13 LEU 123 HD13 LEU 123 -1.982 4.369 -4.578 370 HD21 LEU 123 HD21 LEU 123 -5.318 2.991 -5.070 371 HD22 LEU 123 HD22 LEU 123 -4.560 1.724 -4.074 372 HD23 LEU 123 HD23 LEU 123 -5.761 2.812 -3.368 373 H GLY 124 H GLY 124 -4.882 1.597 0.333 374 HA2 GLY 124 HA2 GLY 124 -3.384 2.311 2.731 375 HA3 GLY 124 HA3 GLY 124 -4.478 0.945 2.528 376 H HIS 125 H HIS 125 -2.568 0.316 0.052 377 HA HIS 125 HA HIS 125 -0.154 -0.723 1.388 378 HB2 HIS 125 HB2 HIS 125 -1.742 -2.453 1.830 379 HB3 HIS 125 HB3 HIS 125 -2.231 -2.528 0.132 380 HD1 HIS 125 HD1 HIS 125 0.737 -3.474 2.417 381 HD2 HIS 125 HD2 HIS 125 -0.676 -3.932 -1.536 382 HE1 HIS 125 HE1 HIS 125 2.246 -5.244 1.308 383 HE2 HIS 125 HE2 HIS 125 1.376 -5.520 -1.106 384 H5' DC 1 H5' DC 1 -5.181 28.839 8.216 385 H5'' DC 1 H5'' DC 1 -3.858 29.693 7.422 386 H4' DC 1 H4' DC 1 -3.434 29.631 9.775 387 H3' DC 1 H3' DC 1 -1.640 28.596 7.892 388 H2' DC 1 H2' DC 1 -1.656 26.424 8.453 389 H2'' DC 1 H2'' DC 1 -0.626 26.861 9.799 390 H1' DC 1 H1' DC 1 -2.311 26.959 11.348 391 H41 DC 1 H41 DC 1 -5.069 21.237 9.465 392 H42 DC 1 H42 DC 1 -4.868 21.217 11.223 393 H5 DC 1 H5 DC 1 -4.372 23.177 8.098 394 H6 DC 1 H6 DC 1 -3.456 25.415 8.238 395 HO5' DC 1 H5T DC 1 -4.504 27.773 6.254 396 H5' DG 2 H5' DG 2 -0.055 28.928 12.388 397 H5'' DG 2 H5'' DG 2 1.506 29.744 12.341 398 H4' DG 2 H4' DG 2 1.652 28.184 14.077 399 H3' DG 2 H3' DG 2 3.424 27.931 11.906 400 H2' DG 2 H2' DG 2 2.423 26.014 11.056 401 H2'' DG 2 H2'' DG 2 3.558 25.215 12.161 402 H1' DG 2 H1' DG 2 1.937 25.053 13.905 403 H8 DG 2 H8 DG 2 0.529 25.140 10.345 404 H1 DG 2 H1 DG 2 -1.122 19.958 13.805 405 H21 DG 2 H21 DG 2 0.787 21.483 16.220 406 H22 DG 2 H22 DG 2 -0.175 20.075 15.751 407 H5' DC 3 H5' DC 3 4.101 25.402 15.833 408 H5'' DC 3 H5'' DC 3 5.813 25.416 16.265 409 H4' DC 3 H4' DC 3 4.829 23.341 16.956 410 H3' DC 3 H3' DC 3 6.993 23.376 14.998 411 H2' DC 3 H2' DC 3 6.176 21.833 13.571 412 H2'' DC 3 H2'' DC 3 6.209 20.628 14.867 413 H1' DC 3 H1' DC 3 4.016 20.849 15.400 414 H41 DC 3 H41 DC 3 1.656 21.389 9.242 415 H42 DC 3 H42 DC 3 1.086 19.883 9.979 416 H5 DC 3 H5 DC 3 3.258 22.841 10.401 417 H6 DC 3 H6 DC 3 4.425 23.165 12.573 418 H5' DA 4 H5' DA 4 6.385 19.600 17.384 419 H5'' DA 4 H5'' DA 4 7.864 18.939 18.085 420 H4' DA 4 H4' DA 4 6.599 17.121 17.295 421 H3' DA 4 H3' DA 4 9.168 17.625 16.106 422 H2' DA 4 H2' DA 4 8.314 17.949 14.001 423 H2'' DA 4 H2'' DA 4 8.362 16.189 13.896 424 H1' DA 4 H1' DA 4 6.078 15.960 14.627 425 H8 DA 4 H8 DA 4 6.908 19.313 12.989 426 H61 DA 4 H61 DA 4 2.642 17.640 8.750 427 H62 DA 4 H62 DA 4 3.681 18.956 9.275 428 H2 DA 4 H2 DA 4 3.105 14.338 11.538 429 H5' DT 5 H5' DT 5 7.309 13.463 15.385 430 H5'' DT 5 H5'' DT 5 8.489 12.203 15.766 431 H4' DT 5 H4' DT 5 7.239 11.443 13.919 432 H3' DT 5 H3' DT 5 10.054 11.842 13.633 433 H2' DT 5 H2' DT 5 9.869 13.458 12.014 434 H2'' DT 5 H2'' DT 5 9.685 12.080 10.912 435 H1' DT 5 H1' DT 5 7.313 12.107 11.040 436 H3 DT 5 H3 DT 5 5.649 15.273 8.279 437 H71 DT 5 H71 DT 5 8.244 18.563 10.718 438 H72 DT 5 H72 DT 5 9.569 17.549 11.342 439 H73 DT 5 H73 DT 5 9.475 17.943 9.611 440 H6 DT 5 H6 DT 5 9.041 15.367 11.727 441 H5' DA 6 H5' DA 6 7.431 9.040 10.947 442 H5'' DA 6 H5'' DA 6 8.310 7.530 10.702 443 H4' DA 6 H4' DA 6 6.843 7.832 8.878 444 H3' DA 6 H3' DA 6 9.571 7.437 8.444 445 H2' DA 6 H2' DA 6 10.089 9.595 7.902 446 H2'' DA 6 H2'' DA 6 9.656 9.082 6.279 447 H1' DA 6 H1' DA 6 7.486 9.973 6.397 448 H8 DA 6 H8 DA 6 10.040 11.539 8.798 449 H61 DA 6 H61 DA 6 8.308 16.875 6.014 450 H62 DA 6 H62 DA 6 9.494 16.195 7.131 451 H2 DA 6 H2 DA 6 5.845 13.695 4.426 452 H5' DT 7 H5' DT 7 6.727 7.916 5.088 453 H5'' DT 7 H5'' DT 7 6.853 6.756 3.768 454 H4' DT 7 H4' DT 7 6.196 8.943 2.956 455 H3' DT 7 H3' DT 7 8.473 7.555 1.904 456 H2' DT 7 H2' DT 7 9.958 9.216 2.588 457 H2'' DT 7 H2'' DT 7 9.462 9.998 1.068 458 H1' DT 7 H1' DT 7 7.639 11.169 2.159 459 H3 DT 7 H3 DT 7 9.823 14.926 3.325 460 H71 DT 7 H71 DT 7 12.158 10.755 5.951 461 H72 DT 7 H72 DT 7 13.153 12.121 5.380 462 H73 DT 7 H73 DT 7 12.058 12.344 6.749 463 H6 DT 7 H6 DT 7 10.396 10.288 4.484 464 H5' DA 8 H5' DA 8 7.359 10.831 -1.424 465 H5'' DA 8 H5'' DA 8 7.494 9.944 -2.946 466 H4' DA 8 H4' DA 8 8.723 11.886 -3.288 467 H3' DA 8 H3' DA 8 10.419 9.485 -2.952 468 H2' DA 8 H2' DA 8 11.868 10.498 -1.560 469 H2'' DA 8 H2'' DA 8 12.385 11.472 -2.961 470 H1' DA 8 H1' DA 8 10.946 13.239 -2.468 471 H8 DA 8 H8 DA 8 11.601 11.081 0.762 472 H61 DA 8 H61 DA 8 13.357 16.701 2.997 473 H62 DA 8 H62 DA 8 13.132 15.041 3.540 474 H2 DA 8 H2 DA 8 12.124 17.238 -1.002 475 H5' DT 9 H5' DT 9 10.841 12.904 -6.015 476 H5'' DT 9 H5'' DT 9 11.500 12.261 -7.528 477 H4' DT 9 H4' DT 9 11.982 14.606 -7.391 478 H3' DT 9 H3' DT 9 14.016 12.677 -7.666 479 H2' DT 9 H2' DT 9 15.060 13.003 -5.692 480 H2'' DT 9 H2'' DT 9 15.801 14.411 -6.443 481 H1' DT 9 H1' DT 9 14.257 15.927 -5.594 482 H3 DT 9 H3 DT 9 15.268 16.556 -1.235 483 H71 DT 9 H71 DT 9 14.646 11.194 -2.076 484 H72 DT 9 H72 DT 9 15.971 11.782 -1.050 485 H73 DT 9 H73 DT 9 14.310 11.881 -0.468 486 H6 DT 9 H6 DT 9 14.150 12.640 -3.826 487 H5' DG 10 H5' DG 10 14.770 17.229 -8.141 488 H5'' DG 10 H5'' DG 10 15.583 17.498 -9.685 489 H4' DG 10 H4' DG 10 16.223 19.261 -8.262 490 H3' DG 10 H3' DG 10 18.166 17.602 -9.392 491 H2' DG 10 H2' DG 10 18.660 16.452 -7.437 492 H2'' DG 10 H2'' DG 10 19.823 17.769 -7.227 493 H1' DG 10 H1' DG 10 18.361 19.032 -5.851 494 H8 DG 10 H8 DG 10 17.728 15.258 -5.870 495 H1 DG 10 H1 DG 10 19.004 17.769 -0.078 496 H21 DG 10 H21 DG 10 19.349 20.674 -1.877 497 H22 DG 10 H22 DG 10 19.517 19.855 -0.320 498 H5' DC 11 H5' DC 11 19.498 21.551 -7.096 499 H5'' DC 11 H5'' DC 11 20.564 22.410 -8.209 500 H4' DC 11 H4' DC 11 21.147 23.036 -6.004 501 H3' DC 11 H3' DC 11 23.055 21.985 -7.743 502 H2' DC 11 H2' DC 11 23.329 19.929 -6.729 503 H2'' DC 11 H2'' DC 11 24.449 20.791 -5.677 504 H1' DC 11 H1' DC 11 22.900 21.137 -3.994 505 H41 DC 11 H41 DC 11 20.995 14.815 -3.623 506 H42 DC 11 H42 DC 11 21.349 15.420 -2.001 507 H5 DC 11 H5 DC 11 21.293 16.211 -5.592 508 H6 DC 11 H6 DC 11 21.829 18.522 -6.322 509 H5' DG 12 H5' DG 12 25.065 23.315 -3.793 510 H5'' DG 12 H5'' DG 12 26.659 24.038 -4.028 511 H4' DG 12 H4' DG 12 26.836 22.389 -2.307 512 H3' DG 12 H3' DG 12 28.066 21.516 -4.921 513 HO3' DG 12 H3T DG 12 29.279 22.998 -3.630 514 H2' DG 12 H2' DG 12 28.140 19.360 -4.306 515 H2'' DG 12 H2'' DG 12 28.752 19.749 -2.681 516 H1' DG 12 H1' DG 12 26.671 19.787 -1.736 517 H8 DG 12 H8 DG 12 25.869 18.782 -5.355 518 H1 DG 12 H1 DG 12 24.504 14.413 -0.810 519 H21 DG 12 H21 DG 12 25.939 16.765 1.258 520 H22 DG 12 H22 DG 12 25.308 15.128 1.113 521 H5' DC 13 H5' DC 13 24.909 7.710 4.242 522 H5'' DC 13 H5'' DC 13 24.314 7.833 5.894 523 H4' DC 13 H4' DC 13 25.730 9.713 5.419 524 H3' DC 13 H3' DC 13 23.123 9.960 6.365 525 H2' DC 13 H2' DC 13 22.191 10.837 4.419 526 H2'' DC 13 H2'' DC 13 22.758 12.377 5.102 527 H1' DC 13 H1' DC 13 24.796 12.313 3.943 528 H41 DC 13 H41 DC 13 21.927 11.820 -2.000 529 H42 DC 13 H42 DC 13 23.155 13.090 -2.063 530 H5 DC 13 H5 DC 13 21.459 10.567 0.060 531 H6 DC 13 H6 DC 13 22.192 10.260 2.363 532 HO5' DC 13 H5T DC 13 22.645 7.175 4.375 533 H5' DG 14 H5' DG 14 25.847 14.136 6.526 534 H5'' DG 14 H5'' DG 14 25.617 14.557 8.221 535 H4' DG 14 H4' DG 14 25.924 16.593 7.159 536 H3' DG 14 H3' DG 14 23.507 16.177 8.467 537 H2' DG 14 H2' DG 14 22.199 15.832 6.563 538 H2'' DG 14 H2'' DG 14 22.035 17.568 6.623 539 H1' DG 14 H1' DG 14 23.677 17.962 5.032 540 H8 DG 14 H8 DG 14 22.193 14.447 4.942 541 H1 DG 14 H1 DG 14 22.256 17.541 -0.710 542 H21 DG 14 H21 DG 14 23.796 20.007 1.118 543 H22 DG 14 H22 DG 14 23.145 19.492 -0.442 544 H5' DC 15 H5' DC 15 23.980 20.259 6.486 545 H5'' DC 15 H5'' DC 15 23.308 21.654 7.329 546 H4' DC 15 H4' DC 15 22.779 21.738 4.969 547 H3' DC 15 H3' DC 15 20.503 21.381 6.868 548 H2' DC 15 H2' DC 15 19.161 20.448 5.329 549 H2'' DC 15 H2'' DC 15 19.460 21.764 4.171 550 H1' DC 15 H1' DC 15 21.171 20.712 3.117 551 H41 DC 15 H41 DC 15 18.462 14.702 2.822 552 H42 DC 15 H42 DC 15 18.447 15.462 1.222 553 H5 DC 15 H5 DC 15 19.188 15.971 4.811 554 H6 DC 15 H6 DC 15 20.195 18.125 5.516 555 H5' DA 16 H5' DA 16 20.488 23.904 3.237 556 H5'' DA 16 H5'' DA 16 19.911 25.554 3.460 557 H4' DA 16 H4' DA 16 19.289 24.888 1.295 558 H3' DA 16 H3' DA 16 17.296 25.607 3.179 559 H2' DA 16 H2' DA 16 16.451 23.462 3.370 560 H2'' DA 16 H2'' DA 16 15.441 23.965 2.013 561 H1' DA 16 H1' DA 16 16.940 23.043 0.384 562 H8 DA 16 H8 DA 16 17.173 21.443 3.839 563 H61 DA 16 H61 DA 16 15.609 16.171 0.832 564 H62 DA 16 H62 DA 16 16.164 16.789 2.378 565 H2 DA 16 H2 DA 16 15.273 19.437 -1.975 566 H5' DT 17 H5' DT 17 15.750 25.014 -1.094 567 H5'' DT 17 H5'' DT 17 14.663 26.304 -1.611 568 H4' DT 17 H4' DT 17 13.809 24.232 -2.413 569 H3' DT 17 H3' DT 17 12.238 25.825 -0.591 570 H2' DT 17 H2' DT 17 12.012 24.148 0.955 571 H2'' DT 17 H2'' DT 17 10.748 23.518 -0.117 572 H1' DT 17 H1' DT 17 12.286 22.125 -1.316 573 H3 DT 17 H3 DT 17 12.783 18.318 1.075 574 H71 DT 17 H71 DT 17 14.541 20.978 4.677 575 H72 DT 17 H72 DT 17 13.711 22.532 4.394 576 H73 DT 17 H73 DT 17 12.811 21.130 5.012 577 H6 DT 17 H6 DT 17 13.275 22.966 2.200 578 H5' DA 18 H5' DA 18 10.295 22.520 -2.844 579 H5'' DA 18 H5'' DA 18 8.939 23.095 -3.815 580 H4' DA 18 H4' DA 18 8.281 20.985 -3.157 581 H3' DA 18 H3' DA 18 6.840 23.120 -1.765 582 H2' DA 18 H2' DA 18 7.329 22.309 0.291 583 H2'' DA 18 H2'' DA 18 6.044 21.131 -0.057 584 H1' DA 18 H1' DA 18 7.565 19.515 -0.833 585 H8 DA 18 H8 DA 18 8.921 21.922 1.837 586 H61 DA 18 H61 DA 18 10.873 16.512 4.455 587 H62 DA 18 H62 DA 18 10.772 18.242 4.802 588 H2 DA 18 H2 DA 18 9.374 15.643 0.566 589 H5' DT 19 H5' DT 19 5.564 18.817 -2.306 590 H5'' DT 19 H5'' DT 19 4.007 18.796 -3.141 591 H4' DT 19 H4' DT 19 3.750 17.008 -1.649 592 H3' DT 19 H3' DT 19 2.226 19.341 -0.941 593 H2' DT 19 H2' DT 19 3.576 19.881 0.837 594 H2'' DT 19 H2'' DT 19 2.429 18.796 1.687 595 H1' DT 19 H1' DT 19 3.811 16.853 1.239 596 H3 DT 19 H3 DT 19 6.868 16.416 4.479 597 H71 DT 19 H71 DT 19 6.003 21.238 4.934 598 H72 DT 19 H72 DT 19 7.657 21.147 4.338 599 H73 DT 19 H73 DT 19 6.363 21.708 3.254 600 H6 DT 19 H6 DT 19 5.288 20.153 1.896 601 H5' DA 20 H5' DA 20 -1.503 15.527 0.101 602 H5'' DA 20 H5'' DA 20 -0.155 16.269 0.940 603 H4' DA 20 H4' DA 20 -0.061 13.352 0.112 604 H3' DA 20 H3' DA 20 -1.978 14.407 1.812 605 H2' DA 20 H2' DA 20 -0.523 15.440 3.275 606 H2'' DA 20 H2'' DA 20 -0.607 13.885 4.112 607 H1' DA 20 H1' DA 20 1.390 13.080 3.183 608 H8 DA 20 H8 DA 20 1.576 16.875 2.418 609 H61 DA 20 H61 DA 20 5.215 17.282 7.430 610 H62 DA 20 H62 DA 20 4.430 18.203 6.151 611 H2 DA 20 H2 DA 20 3.937 13.142 7.105 612 H5' DT 21 H5' DT 21 -0.192 11.089 4.191 613 H5'' DT 21 H5'' DT 21 -1.441 9.842 4.205 614 H4' DT 21 H4' DT 21 -0.499 9.602 6.291 615 H3' DT 21 H3' DT 21 -3.114 10.501 6.298 616 H2' DT 21 H2' DT 21 -2.708 12.720 6.822 617 H2'' DT 21 H2'' DT 21 -2.760 12.085 8.486 618 H1' DT 21 H1' DT 21 -0.475 11.851 8.667 619 H3 DT 21 H3 DT 21 2.007 15.613 9.019 620 H71 DT 21 H71 DT 21 -1.307 17.732 6.262 621 H72 DT 21 H72 DT 21 -0.177 17.221 5.006 622 H73 DT 21 H73 DT 21 -1.767 16.428 5.150 623 H6 DT 21 H6 DT 21 -1.588 14.312 6.050 624 H5' DG 22 H5' DG 22 -1.004 9.557 10.327 625 H5'' DG 22 H5'' DG 22 -2.096 8.711 11.451 626 H4' DG 22 H4' DG 22 -0.778 10.217 12.731 627 H3' DG 22 H3' DG 22 -3.625 10.527 12.675 628 H2' DG 22 H2' DG 22 -3.513 12.603 11.630 629 H2'' DG 22 H2'' DG 22 -3.332 13.176 13.308 630 H1' DG 22 H1' DG 22 -0.926 13.052 13.175 631 H8 DG 22 H8 DG 22 -2.747 13.885 9.898 632 H1 DG 22 H1 DG 22 1.248 18.421 12.149 633 H21 DG 22 H21 DG 22 1.673 16.145 14.702 634 H22 DG 22 H22 DG 22 2.039 17.753 14.075 635 H5' DC 23 H5' DC 23 -0.774 12.191 16.077 636 H5'' DC 23 H5'' DC 23 -1.506 11.621 17.577 637 H4' DC 23 H4' DC 23 -0.193 13.502 18.112 638 H3' DC 23 H3' DC 23 -2.912 13.448 18.723 639 H2' DC 23 H2' DC 23 -3.630 14.997 17.184 640 H2'' DC 23 H2'' DC 23 -3.159 16.184 18.384 641 H1' DC 23 H1' DC 23 -1.085 16.607 17.440 642 H41 DC 23 H41 DC 23 -3.647 17.611 11.419 643 H42 DC 23 H42 DC 23 -2.641 18.994 11.870 644 H5 DC 23 H5 DC 23 -3.955 15.713 12.927 645 H6 DC 23 H6 DC 23 -3.244 14.793 15.118 646 H5' DG 24 H5' DG 24 -1.076 17.272 20.524 647 H5'' DG 24 H5'' DG 24 -1.761 17.681 22.100 648 H4' DG 24 H4' DG 24 -1.855 19.634 20.757 649 H3' DG 24 H3' DG 24 -4.576 18.342 20.994 650 HO3' DG 24 H3T DG 24 -3.798 19.490 22.852 651 H2' DG 24 H2' DG 24 -5.421 19.597 19.345 652 H2'' DG 24 H2'' DG 24 -4.620 21.081 19.919 653 H1' DG 24 H1' DG 24 -2.782 20.787 18.606 654 H8 DG 24 H8 DG 24 -4.949 17.809 17.514 655 H1 DG 24 H1 DG 24 -3.974 22.442 13.117 656 H21 DG 24 H21 DG 24 -2.179 23.868 15.702 657 H22 DG 24 H22 DG 24 -2.795 24.055 14.059 Start of MODEL 3 1 H ALA 79 H1 ALA 79 -1.842 6.487 9.035 2 HA ALA 79 HA ALA 79 1.084 6.151 9.371 3 HB1 ALA 79 HB1 ALA 79 -0.177 4.030 9.446 4 HB2 ALA 79 HB2 ALA 79 -1.069 4.494 7.982 5 HB3 ALA 79 HB3 ALA 79 0.685 4.161 7.898 6 H ARG 80 H ARG 80 2.325 6.272 7.477 7 HA ARG 80 HA ARG 80 1.716 8.419 5.679 8 HB2 ARG 80 HB2 ARG 80 3.957 6.378 5.776 9 HB3 ARG 80 HB3 ARG 80 3.908 7.682 4.588 10 HG2 ARG 80 HG2 ARG 80 3.695 8.169 7.571 11 HG3 ARG 80 HG3 ARG 80 5.230 8.204 6.695 12 HD2 ARG 80 HD2 ARG 80 4.856 10.314 5.988 13 HD3 ARG 80 HD3 ARG 80 3.291 9.861 5.322 14 HE ARG 80 HE ARG 80 2.216 10.757 7.173 15 HH11 ARG 80 HH11 ARG 80 5.649 10.483 8.033 16 HH12 ARG 80 HH12 ARG 80 5.438 11.720 9.250 17 HH21 ARG 80 HH21 ARG 80 2.163 12.205 8.999 18 HH22 ARG 80 HH22 ARG 80 3.671 12.489 9.803 19 H LYS 81 H LYS 81 -0.421 7.314 5.131 20 HA LYS 81 HA LYS 81 -0.827 5.284 3.237 21 HB2 LYS 81 HB2 LYS 81 -2.306 7.861 3.941 22 HB3 LYS 81 HB3 LYS 81 -2.953 6.680 2.808 23 HG2 LYS 81 HG2 LYS 81 -3.401 5.107 4.436 24 HG3 LYS 81 HG3 LYS 81 -2.136 5.681 5.542 25 HD2 LYS 81 HD2 LYS 81 -3.409 7.616 6.169 26 HD3 LYS 81 HD3 LYS 81 -4.666 7.281 4.961 27 HE2 LYS 81 HE2 LYS 81 -5.380 5.292 6.088 28 HE3 LYS 81 HE3 LYS 81 -3.958 5.277 7.142 29 HZ1 LYS 81 HZ1 LYS 81 -5.959 6.136 8.275 30 HZ2 LYS 81 HZ2 LYS 81 -4.753 7.246 8.253 31 HZ3 LYS 81 HZ3 LYS 81 -6.034 7.410 7.244 32 H VAL 82 H VAL 82 -0.557 5.118 1.283 33 HA VAL 82 HA VAL 82 0.691 7.080 -0.478 34 HB VAL 82 HB VAL 82 -0.597 4.382 -1.048 35 HG11 VAL 82 HG11 VAL 82 0.975 6.218 -2.897 36 HG12 VAL 82 HG12 VAL 82 0.765 4.481 -3.191 37 HG13 VAL 82 HG13 VAL 82 -0.654 5.522 -3.123 38 HG21 VAL 82 HG21 VAL 82 1.391 4.299 0.423 39 HG22 VAL 82 HG22 VAL 82 1.644 3.505 -1.140 40 HG23 VAL 82 HG23 VAL 82 2.334 5.118 -0.859 41 H LYS 83 H LYS 83 -0.230 8.495 -1.802 42 HA LYS 83 HA LYS 83 -3.120 8.268 -2.473 43 HB2 LYS 83 HB2 LYS 83 -1.357 10.670 -2.099 44 HB3 LYS 83 HB3 LYS 83 -2.498 10.686 -3.459 45 HG2 LYS 83 HG2 LYS 83 -4.387 10.276 -2.061 46 HG3 LYS 83 HG3 LYS 83 -3.370 10.126 -0.614 47 HD2 LYS 83 HD2 LYS 83 -2.674 12.435 -0.759 48 HD3 LYS 83 HD3 LYS 83 -3.429 12.631 -2.357 49 HE2 LYS 83 HE2 LYS 83 -5.554 12.741 -1.573 50 HE3 LYS 83 HE3 LYS 83 -5.208 11.786 -0.109 51 HZ1 LYS 83 HZ1 LYS 83 -4.107 13.649 0.866 52 HZ2 LYS 83 HZ2 LYS 83 -4.281 14.591 -0.505 53 HZ3 LYS 83 HZ3 LYS 83 -5.574 14.152 0.385 54 H GLN 84 H GLN 84 -3.516 7.625 -4.477 55 HA GLN 84 HA GLN 84 -1.317 7.546 -6.451 56 HB2 GLN 84 HB2 GLN 84 -2.252 5.552 -6.913 57 HB3 GLN 84 HB3 GLN 84 -3.770 5.920 -6.075 58 HG2 GLN 84 HG2 GLN 84 -4.554 7.113 -8.039 59 HG3 GLN 84 HG3 GLN 84 -3.002 6.831 -8.875 60 HE21 GLN 84 HE22 GLN 84 -2.376 4.432 -9.202 61 HE22 GLN 84 HE21 GLN 84 -3.703 3.319 -9.464 62 H TYR 85 H TYR 85 -1.556 8.850 -8.205 63 HA TYR 85 HA TYR 85 -3.833 10.798 -8.275 64 HB2 TYR 85 HB2 TYR 85 -0.879 11.385 -8.780 65 HB3 TYR 85 HB3 TYR 85 -2.200 12.525 -8.973 66 HD1 TYR 85 HD2 TYR 85 -3.548 13.253 -7.013 67 HD2 TYR 85 HD1 TYR 85 0.169 11.113 -6.613 68 HE1 TYR 85 HE2 TYR 85 -3.262 14.179 -4.722 69 HE2 TYR 85 HE1 TYR 85 0.471 12.063 -4.326 70 HH TYR 85 HH TYR 85 -1.925 14.405 -2.972 71 H LYS 86 H LYS 86 -4.674 11.075 -10.326 72 HA LYS 86 HA LYS 86 -3.216 9.935 -12.679 73 HB2 LYS 86 HB2 LYS 86 -4.854 8.284 -11.984 74 HB3 LYS 86 HB3 LYS 86 -6.129 9.506 -11.874 75 HG2 LYS 86 HG2 LYS 86 -6.183 9.826 -14.256 76 HG3 LYS 86 HG3 LYS 86 -4.698 8.897 -14.496 77 HD2 LYS 86 HD2 LYS 86 -5.875 6.855 -13.615 78 HD3 LYS 86 HD3 LYS 86 -7.368 7.816 -13.492 79 HE2 LYS 86 HE2 LYS 86 -7.220 8.290 -15.955 80 HE3 LYS 86 HE3 LYS 86 -5.755 7.301 -16.045 81 HZ1 LYS 86 HZ1 LYS 86 -8.450 6.289 -15.252 82 HZ2 LYS 86 HZ2 LYS 86 -7.731 6.029 -16.694 83 HZ3 LYS 86 HZ3 LYS 86 -7.096 5.373 -15.337 84 H ASN 87 H ASN 87 -3.267 11.191 -14.454 85 HA ASN 87 HA ASN 87 -4.512 13.878 -14.124 86 HB2 ASN 87 HB2 ASN 87 -2.131 13.646 -14.326 87 HB3 ASN 87 HB3 ASN 87 -2.278 12.906 -15.916 88 HD21 ASN 87 HD22 ASN 87 -0.861 15.360 -15.158 89 HD22 ASN 87 HD21 ASN 87 -1.675 16.666 -16.020 90 HA PRO 88 HA PRO 88 -7.666 12.640 -17.201 91 HB2 PRO 88 HB2 PRO 88 -8.216 15.594 -16.841 92 HB3 PRO 88 HB3 PRO 88 -9.381 14.239 -16.966 93 HG2 PRO 88 HG2 PRO 88 -8.772 15.302 -14.549 94 HG3 PRO 88 HG3 PRO 88 -8.881 13.522 -14.734 95 HD2 PRO 88 HD2 PRO 88 -6.409 15.258 -14.673 96 HD3 PRO 88 HD3 PRO 88 -6.727 13.682 -13.880 97 H HIS 89 H HIS 89 -5.313 15.282 -17.486 98 HA HIS 89 HA HIS 89 -5.967 15.864 -20.294 99 HB2 HIS 89 HB2 HIS 89 -3.770 16.987 -18.515 100 HB3 HIS 89 HB3 HIS 89 -4.318 17.641 -20.051 101 HD1 HIS 89 HD1 HIS 89 -6.917 18.665 -20.035 102 HD2 HIS 89 HD2 HIS 89 -5.095 17.724 -16.340 103 HE1 HIS 89 HE1 HIS 89 -8.309 19.844 -18.216 104 HE2 HIS 89 HE2 HIS 89 -7.198 19.273 -15.972 105 H THR 90 H THR 90 -3.692 13.787 -18.681 106 HA THR 90 HA THR 90 -2.179 13.385 -21.249 107 HB THR 90 HB THR 90 -0.190 12.993 -19.940 108 HG1 THR 90 HG1 THR 90 -0.312 13.225 -17.663 109 HG21 THR 90 HG21 THR 90 -0.759 15.426 -20.330 110 HG22 THR 90 HG22 THR 90 -1.543 15.441 -18.731 111 HG23 THR 90 HG23 THR 90 0.200 15.136 -18.869 112 H GLY 91 H GLY 91 -3.882 11.762 -18.653 113 HA2 GLY 91 HA2 GLY 91 -4.487 9.552 -18.421 114 HA3 GLY 91 HA3 GLY 91 -3.631 9.135 -19.905 115 H GLU 92 H GLU 92 -1.609 10.868 -17.648 116 HA GLU 92 HA GLU 92 -0.082 8.479 -17.007 117 HB2 GLU 92 HB2 GLU 92 0.304 11.438 -16.571 118 HB3 GLU 92 HB3 GLU 92 1.269 10.266 -15.678 119 HG2 GLU 92 HG2 GLU 92 1.088 10.074 -18.672 120 HG3 GLU 92 HG3 GLU 92 2.209 11.208 -17.877 121 H VAL 93 H VAL 93 0.380 7.930 -14.969 122 HA VAL 93 HA VAL 93 -1.323 8.789 -12.697 123 HB VAL 93 HB VAL 93 -0.548 5.965 -13.384 124 HG11 VAL 93 HG11 VAL 93 -2.542 6.998 -11.285 125 HG12 VAL 93 HG12 VAL 93 -2.331 5.299 -11.728 126 HG13 VAL 93 HG13 VAL 93 -1.016 6.157 -10.946 127 HG21 VAL 93 HG21 VAL 93 -3.194 7.391 -13.821 128 HG22 VAL 93 HG22 VAL 93 -2.148 6.690 -15.062 129 HG23 VAL 93 HG23 VAL 93 -2.997 5.620 -13.944 130 H ILE 94 H ILE 94 -0.434 8.366 -10.687 131 HA ILE 94 HA ILE 94 2.390 7.625 -10.308 132 HB ILE 94 HB ILE 94 1.827 9.899 -8.613 133 HG12 ILE 94 HG12 ILE 94 1.886 10.762 -11.531 134 HG13 ILE 94 HG13 ILE 94 0.439 10.762 -10.517 135 HG21 ILE 94 HG21 ILE 94 4.047 8.841 -9.151 136 HG22 ILE 94 HG22 ILE 94 3.981 9.676 -10.733 137 HG23 ILE 94 HG23 ILE 94 4.015 10.591 -9.199 138 HD11 ILE 94 HD11 ILE 94 1.607 12.234 -8.877 139 HD12 ILE 94 HD12 ILE 94 2.944 12.394 -10.031 140 HD13 ILE 94 HD13 ILE 94 1.329 12.975 -10.476 141 H GLU 95 H GLU 95 2.874 7.568 -7.990 142 HA GLU 95 HA GLU 95 0.702 7.295 -6.021 143 HB2 GLU 95 HB2 GLU 95 2.567 5.109 -6.948 144 HB3 GLU 95 HB3 GLU 95 1.951 5.125 -5.268 145 HG2 GLU 95 HG2 GLU 95 -0.322 5.010 -6.007 146 HG3 GLU 95 HG3 GLU 95 0.149 5.142 -7.708 147 H THR 96 H THR 96 1.383 8.491 -4.323 148 HA THR 96 HA THR 96 4.186 8.286 -3.374 149 HB THR 96 HB THR 96 4.913 10.318 -3.851 150 HG1 THR 96 HG1 THR 96 3.782 12.188 -3.418 151 HG21 THR 96 HG21 THR 96 3.955 9.951 -6.119 152 HG22 THR 96 HG22 THR 96 2.425 10.696 -5.573 153 HG23 THR 96 HG23 THR 96 3.922 11.654 -5.668 154 H LYS 97 H LYS 97 4.455 8.920 -1.167 155 HA LYS 97 HA LYS 97 1.929 8.921 0.435 156 HB2 LYS 97 HB2 LYS 97 4.795 8.734 1.344 157 HB3 LYS 97 HB3 LYS 97 3.372 8.370 2.308 158 HG2 LYS 97 HG2 LYS 97 2.892 6.381 1.016 159 HG3 LYS 97 HG3 LYS 97 4.128 6.774 -0.176 160 HD2 LYS 97 HD2 LYS 97 5.843 6.640 1.743 161 HD3 LYS 97 HD3 LYS 97 4.556 5.909 2.700 162 HE2 LYS 97 HE2 LYS 97 5.884 4.146 1.791 163 HE3 LYS 97 HE3 LYS 97 4.346 4.123 0.924 164 HZ1 LYS 97 HZ1 LYS 97 6.845 5.424 -0.120 165 HZ2 LYS 97 HZ2 LYS 97 6.344 3.921 -0.547 166 HZ3 LYS 97 HZ3 LYS 97 5.460 5.238 -0.951 167 H GLY 98 H GLY 98 3.505 11.256 -1.040 168 HA2 GLY 98 HA2 GLY 98 2.841 13.585 -0.343 169 HA3 GLY 98 HA3 GLY 98 3.688 13.240 1.173 170 H GLY 99 H GLY 99 4.825 15.169 0.570 171 HA2 GLY 99 HA2 GLY 99 6.834 16.107 0.241 172 HA3 GLY 99 HA3 GLY 99 7.439 14.535 -0.253 173 H ASN 100 H ASN 100 8.543 16.693 -1.185 174 HA ASN 100 HA ASN 100 7.965 17.621 -3.799 175 HB2 ASN 100 HB2 ASN 100 9.616 18.718 -2.491 176 HB3 ASN 100 HB3 ASN 100 10.377 17.221 -2.037 177 HD21 ASN 100 HD22 ASN 100 12.258 18.568 -2.473 178 HD22 ASN 100 HD21 ASN 100 12.987 18.208 -4.022 179 H HIS 101 H HIS 101 7.237 16.133 -5.241 180 HA HIS 101 HA HIS 101 9.102 13.980 -6.127 181 HB2 HIS 101 HB2 HIS 101 7.173 13.100 -4.742 182 HB3 HIS 101 HB3 HIS 101 6.067 13.698 -5.964 183 HD1 HIS 101 HD1 HIS 101 9.001 11.102 -5.629 184 HD2 HIS 101 HD2 HIS 101 5.659 12.095 -8.048 185 HE1 HIS 101 HE1 HIS 101 8.730 9.206 -7.313 186 HE2 HIS 101 HE2 HIS 101 6.722 9.800 -8.800 187 H LYS 102 H LYS 102 9.470 13.934 -8.304 188 HA LYS 102 HA LYS 102 9.240 16.268 -9.756 189 HB2 LYS 102 HB2 LYS 102 10.839 14.424 -10.071 190 HB3 LYS 102 HB3 LYS 102 9.638 13.586 -11.069 191 HG2 LYS 102 HG2 LYS 102 9.516 15.512 -12.595 192 HG3 LYS 102 HG3 LYS 102 10.551 16.483 -11.540 193 HD2 LYS 102 HD2 LYS 102 11.408 13.927 -12.910 194 HD3 LYS 102 HD3 LYS 102 11.686 15.569 -13.538 195 HE2 LYS 102 HE2 LYS 102 12.983 16.128 -11.473 196 HE3 LYS 102 HE3 LYS 102 12.748 14.479 -10.885 197 HZ1 LYS 102 HZ1 LYS 102 13.985 13.693 -12.860 198 HZ2 LYS 102 HZ2 LYS 102 14.272 15.246 -13.320 199 HZ3 LYS 102 HZ3 LYS 102 14.874 14.675 -11.897 200 H THR 103 H THR 103 7.352 13.425 -10.967 201 HA THR 103 HA THR 103 5.885 14.943 -12.830 202 HB THR 103 HB THR 103 4.884 12.429 -11.455 203 HG1 THR 103 HG1 THR 103 5.951 11.411 -13.213 204 HG21 THR 103 HG21 THR 103 4.231 13.863 -14.051 205 HG22 THR 103 HG22 THR 103 3.814 12.145 -13.795 206 HG23 THR 103 HG23 THR 103 3.120 13.396 -12.755 207 H LEU 104 H LEU 104 5.030 14.218 -9.471 208 HA LEU 104 HA LEU 104 2.423 15.341 -9.436 209 HB2 LEU 104 HB2 LEU 104 3.413 13.809 -7.736 210 HB3 LEU 104 HB3 LEU 104 4.521 15.083 -7.227 211 HG LEU 104 HG LEU 104 2.637 16.436 -6.408 212 HD11 LEU 104 HD11 LEU 104 0.935 14.034 -7.250 213 HD12 LEU 104 HD12 LEU 104 0.378 15.365 -6.232 214 HD13 LEU 104 HD13 LEU 104 0.832 15.674 -7.918 215 HD21 LEU 104 HD21 LEU 104 3.751 14.805 -4.910 216 HD22 LEU 104 HD22 LEU 104 2.046 15.023 -4.503 217 HD23 LEU 104 HD23 LEU 104 2.550 13.572 -5.378 218 H LYS 105 H LYS 105 5.629 16.885 -9.009 219 HA LYS 105 HA LYS 105 4.562 19.493 -8.353 220 HB2 LYS 105 HB2 LYS 105 6.840 18.818 -7.691 221 HB3 LYS 105 HB3 LYS 105 7.298 18.605 -9.369 222 HG2 LYS 105 HG2 LYS 105 8.233 20.671 -8.556 223 HG3 LYS 105 HG3 LYS 105 7.059 21.000 -9.815 224 HD2 LYS 105 HD2 LYS 105 6.737 22.659 -8.167 225 HD3 LYS 105 HD3 LYS 105 5.366 21.561 -7.976 226 HE2 LYS 105 HE2 LYS 105 6.619 20.429 -6.074 227 HE3 LYS 105 HE3 LYS 105 7.925 21.597 -6.307 228 HZ1 LYS 105 HZ1 LYS 105 6.198 23.376 -5.839 229 HZ2 LYS 105 HZ2 LYS 105 5.154 22.170 -5.371 230 HZ3 LYS 105 HZ3 LYS 105 6.518 22.399 -4.558 231 H GLU 106 H GLU 106 5.325 17.888 -11.458 232 HA GLU 106 HA GLU 106 5.154 20.320 -12.987 233 HB2 GLU 106 HB2 GLU 106 4.440 17.554 -13.994 234 HB3 GLU 106 HB3 GLU 106 4.989 18.964 -14.936 235 HG2 GLU 106 HG2 GLU 106 7.154 18.760 -13.522 236 HG3 GLU 106 HG3 GLU 106 6.474 17.187 -13.047 237 H TRP 107 H TRP 107 2.865 17.768 -12.151 238 HA TRP 107 HA TRP 107 0.621 18.895 -13.517 239 HB2 TRP 107 HB2 TRP 107 0.638 17.202 -11.000 240 HB3 TRP 107 HB3 TRP 107 -0.777 17.545 -12.003 241 HD1 TRP 107 HD1 TRP 107 1.993 16.805 -14.335 242 HE1 TRP 107 HE1 TRP 107 1.925 14.370 -15.098 243 HE3 TRP 107 HE3 TRP 107 -1.472 14.983 -11.019 244 HZ2 TRP 107 HZ2 TRP 107 0.757 11.922 -14.250 245 HZ3 TRP 107 HZ3 TRP 107 -2.124 12.595 -11.126 246 HH2 TRP 107 HH2 TRP 107 -0.961 11.039 -12.689 247 H LYS 108 H LYS 108 1.830 19.626 -10.240 248 HA LYS 108 HA LYS 108 -0.289 21.477 -9.538 249 HB2 LYS 108 HB2 LYS 108 2.624 21.293 -8.632 250 HB3 LYS 108 HB3 LYS 108 1.458 22.460 -7.997 251 HG2 LYS 108 HG2 LYS 108 -0.044 20.564 -7.358 252 HG3 LYS 108 HG3 LYS 108 1.222 19.433 -7.836 253 HD2 LYS 108 HD2 LYS 108 2.791 20.596 -6.232 254 HD3 LYS 108 HD3 LYS 108 1.437 21.621 -5.712 255 HE2 LYS 108 HE2 LYS 108 0.163 19.448 -5.176 256 HE3 LYS 108 HE3 LYS 108 1.651 18.581 -5.530 257 HZ1 LYS 108 HZ1 LYS 108 2.698 20.171 -3.811 258 HZ2 LYS 108 HZ2 LYS 108 1.168 20.476 -3.310 259 HZ3 LYS 108 HZ3 LYS 108 1.736 18.919 -3.270 260 H ALA 109 H ALA 109 2.766 21.869 -11.400 261 HA ALA 109 HA ALA 109 2.654 24.727 -11.563 262 HB1 ALA 109 HB1 ALA 109 4.327 24.432 -13.314 263 HB2 ALA 109 HB2 ALA 109 4.680 23.252 -12.012 264 HB3 ALA 109 HB3 ALA 109 3.903 22.739 -13.529 265 H LYS 110 H LYS 110 1.730 22.114 -13.776 266 HA LYS 110 HA LYS 110 0.890 23.753 -15.799 267 HB2 LYS 110 HB2 LYS 110 0.687 20.806 -15.234 268 HB3 LYS 110 HB3 LYS 110 -0.012 21.479 -16.723 269 HG2 LYS 110 HG2 LYS 110 2.193 22.409 -17.356 270 HG3 LYS 110 HG3 LYS 110 2.895 21.791 -15.864 271 HD2 LYS 110 HD2 LYS 110 3.534 20.220 -17.506 272 HD3 LYS 110 HD3 LYS 110 2.219 19.457 -16.615 273 HE2 LYS 110 HE2 LYS 110 1.702 18.992 -18.869 274 HE3 LYS 110 HE3 LYS 110 0.640 20.343 -18.458 275 HZ1 LYS 110 HZ1 LYS 110 2.228 21.846 -19.582 276 HZ2 LYS 110 HZ2 LYS 110 3.219 20.592 -19.947 277 HZ3 LYS 110 HZ3 LYS 110 1.732 20.688 -20.610 278 H TRP 111 H TRP 111 -1.027 22.176 -13.291 279 HA TRP 111 HA TRP 111 -3.511 23.522 -14.316 280 HB2 TRP 111 HB2 TRP 111 -3.337 20.694 -13.241 281 HB3 TRP 111 HB3 TRP 111 -4.799 21.534 -13.743 282 HD1 TRP 111 HD1 TRP 111 -5.066 22.040 -16.409 283 HE1 TRP 111 HE1 TRP 111 -4.140 20.849 -18.482 284 HE3 TRP 111 HE3 TRP 111 -1.403 19.324 -14.172 285 HZ2 TRP 111 HZ2 TRP 111 -2.012 18.977 -19.099 286 HZ3 TRP 111 HZ3 TRP 111 0.169 17.923 -15.536 287 HH2 TRP 111 HH2 TRP 111 -0.170 17.689 -17.973 288 H GLY 112 H GLY 112 -2.133 21.969 -11.341 289 HA2 GLY 112 HA2 GLY 112 -1.968 23.897 -9.614 290 HA3 GLY 112 HA3 GLY 112 -3.719 23.930 -9.687 291 HA PRO 113 HA PRO 113 -2.045 20.668 -6.574 292 HB2 PRO 113 HB2 PRO 113 -2.326 22.054 -4.193 293 HB3 PRO 113 HB3 PRO 113 -0.814 21.915 -5.132 294 HG2 PRO 113 HG2 PRO 113 -2.817 24.173 -5.128 295 HG3 PRO 113 HG3 PRO 113 -1.021 24.257 -5.086 296 HD2 PRO 113 HD2 PRO 113 -2.432 24.645 -7.368 297 HD3 PRO 113 HD3 PRO 113 -0.858 23.790 -7.387 298 H GLU 114 H GLU 114 -4.769 22.973 -6.416 299 HA GLU 114 HA GLU 114 -6.553 21.424 -4.816 300 HB2 GLU 114 HB2 GLU 114 -7.344 23.171 -7.160 301 HB3 GLU 114 HB3 GLU 114 -8.247 22.791 -5.668 302 HG2 GLU 114 HG2 GLU 114 -6.437 24.063 -4.405 303 HG3 GLU 114 HG3 GLU 114 -5.792 24.535 -5.988 304 H ALA 115 H ALA 115 -6.070 21.664 -8.280 305 HA ALA 115 HA ALA 115 -7.974 19.807 -9.228 306 HB1 ALA 115 HB1 ALA 115 -5.240 20.298 -10.494 307 HB2 ALA 115 HB2 ALA 115 -6.777 19.937 -11.296 308 HB3 ALA 115 HB3 ALA 115 -6.554 21.528 -10.519 309 H VAL 116 H VAL 116 -4.507 19.464 -8.678 310 HA VAL 116 HA VAL 116 -4.153 16.833 -9.248 311 HB VAL 116 HB VAL 116 -2.714 18.805 -7.488 312 HG11 VAL 116 HG11 VAL 116 -1.625 16.040 -8.113 313 HG12 VAL 116 HG12 VAL 116 -0.732 17.414 -7.395 314 HG13 VAL 116 HG13 VAL 116 -2.049 16.661 -6.502 315 HG21 VAL 116 HG21 VAL 116 -1.188 18.890 -9.365 316 HG22 VAL 116 HG22 VAL 116 -1.969 17.477 -10.117 317 HG23 VAL 116 HG23 VAL 116 -2.831 19.022 -10.024 318 H GLU 117 H GLU 117 -4.841 18.207 -5.992 319 HA GLU 117 HA GLU 117 -4.947 15.636 -4.642 320 HB2 GLU 117 HB2 GLU 117 -5.967 18.424 -3.994 321 HB3 GLU 117 HB3 GLU 117 -6.261 17.056 -2.928 322 HG2 GLU 117 HG2 GLU 117 -3.449 17.801 -3.819 323 HG3 GLU 117 HG3 GLU 117 -4.229 18.540 -2.428 324 H SER 118 H SER 118 -7.360 17.567 -6.391 325 HA SER 118 HA SER 118 -9.672 16.076 -5.453 326 HB2 SER 118 HB2 SER 118 -9.359 17.736 -7.981 327 HB3 SER 118 HB3 SER 118 -10.876 17.097 -7.337 328 HG SER 118 HG SER 118 -9.135 19.011 -6.178 329 H TRP 119 H TRP 119 -7.430 15.630 -8.160 330 HA TRP 119 HA TRP 119 -8.879 13.428 -9.371 331 HB2 TRP 119 HB2 TRP 119 -5.917 14.022 -9.557 332 HB3 TRP 119 HB3 TRP 119 -6.904 13.081 -10.656 333 HD1 TRP 119 HD1 TRP 119 -9.205 15.523 -10.822 334 HE1 TRP 119 HE1 TRP 119 -8.685 17.491 -12.376 335 HE3 TRP 119 HE3 TRP 119 -4.159 14.838 -11.320 336 HZ2 TRP 119 HZ2 TRP 119 -6.361 18.650 -13.649 337 HZ3 TRP 119 HZ3 TRP 119 -2.816 16.373 -12.752 338 HH2 TRP 119 HH2 TRP 119 -3.903 18.284 -13.903 339 H ALA 120 H ALA 120 -7.094 13.478 -6.387 340 HA ALA 120 HA ALA 120 -5.640 11.097 -6.750 341 HB1 ALA 120 HB1 ALA 120 -4.938 11.337 -4.518 342 HB2 ALA 120 HB2 ALA 120 -5.182 12.998 -5.106 343 HB3 ALA 120 HB3 ALA 120 -6.402 12.251 -4.060 344 H THR 121 H THR 121 -5.651 9.459 -5.293 345 HA THR 121 HA THR 121 -8.171 7.974 -4.516 346 HB THR 121 HB THR 121 -5.802 6.963 -6.119 347 HG1 THR 121 HG1 THR 121 -8.494 7.382 -6.980 348 HG21 THR 121 HG21 THR 121 -7.409 4.965 -6.417 349 HG22 THR 121 HG22 THR 121 -6.728 5.166 -4.797 350 HG23 THR 121 HG23 THR 121 -8.391 5.719 -5.127 351 H LEU 122 H LEU 122 -7.833 6.674 -2.722 352 HA LEU 122 HA LEU 122 -5.232 7.087 -1.278 353 HB2 LEU 122 HB2 LEU 122 -7.505 8.044 -0.476 354 HB3 LEU 122 HB3 LEU 122 -7.875 6.390 0.008 355 HG LEU 122 HG LEU 122 -5.452 8.032 0.906 356 HD11 LEU 122 HD11 LEU 122 -7.998 7.289 2.411 357 HD12 LEU 122 HD12 LEU 122 -6.625 8.219 3.057 358 HD13 LEU 122 HD13 LEU 122 -7.615 8.898 1.759 359 HD21 LEU 122 HD21 LEU 122 -4.780 5.791 1.160 360 HD22 LEU 122 HD22 LEU 122 -5.349 6.254 2.753 361 HD23 LEU 122 HD23 LEU 122 -6.395 5.267 1.717 362 H LEU 123 H LEU 123 -3.979 5.443 -1.037 363 HA LEU 123 HA LEU 123 -4.948 2.647 -1.438 364 HB2 LEU 123 HB2 LEU 123 -2.334 3.991 -2.269 365 HB3 LEU 123 HB3 LEU 123 -2.718 2.280 -2.473 366 HG LEU 123 HG LEU 123 -4.106 4.654 -3.797 367 HD11 LEU 123 HD11 LEU 123 -1.883 4.177 -4.661 368 HD12 LEU 123 HD12 LEU 123 -2.255 2.451 -4.824 369 HD13 LEU 123 HD13 LEU 123 -3.087 3.626 -5.853 370 HD21 LEU 123 HD21 LEU 123 -5.765 2.853 -3.504 371 HD22 LEU 123 HD22 LEU 123 -5.257 2.917 -5.187 372 HD23 LEU 123 HD23 LEU 123 -4.609 1.653 -4.117 373 H GLY 124 H GLY 124 -4.659 1.328 0.120 374 HA2 GLY 124 HA2 GLY 124 -3.264 2.115 2.588 375 HA3 GLY 124 HA3 GLY 124 -4.330 0.730 2.353 376 H HIS 125 H HIS 125 -2.283 0.259 -0.099 377 HA HIS 125 HA HIS 125 0.093 -0.745 1.274 378 HB2 HIS 125 HB2 HIS 125 -0.237 -3.091 0.490 379 HB3 HIS 125 HB3 HIS 125 -1.334 -2.592 1.766 380 HD1 HIS 125 HD1 HIS 125 -1.986 -1.885 -1.961 381 HD2 HIS 125 HD2 HIS 125 -3.299 -4.271 1.254 382 HE1 HIS 125 HE1 HIS 125 -4.136 -3.114 -2.786 383 HE2 HIS 125 HE2 HIS 125 -4.929 -4.546 -0.796 384 H5' DC 1 H5' DC 1 -5.392 29.197 7.974 385 H5'' DC 1 H5'' DC 1 -4.061 30.055 7.211 386 H4' DC 1 H4' DC 1 -3.657 29.946 9.565 387 H3' DC 1 H3' DC 1 -1.852 28.929 7.687 388 H2' DC 1 H2' DC 1 -1.897 26.745 8.207 389 H2'' DC 1 H2'' DC 1 -0.867 27.151 9.567 390 H1' DC 1 H1' DC 1 -2.566 27.254 11.108 391 H41 DC 1 H41 DC 1 -5.360 21.573 9.153 392 H42 DC 1 H42 DC 1 -5.174 21.542 10.911 393 H5 DC 1 H5 DC 1 -4.636 23.523 7.807 394 H6 DC 1 H6 DC 1 -3.710 25.754 7.977 395 HO5' DC 1 H5T DC 1 -4.709 28.152 6.006 396 H5' DG 2 H5' DG 2 -0.346 29.176 12.207 397 H5'' DG 2 H5'' DG 2 1.211 30.003 12.202 398 H4' DG 2 H4' DG 2 1.354 28.430 13.919 399 H3' DG 2 H3' DG 2 3.137 28.192 11.752 400 H2' DG 2 H2' DG 2 2.159 26.272 10.886 401 H2'' DG 2 H2'' DG 2 3.277 25.479 12.007 402 H1' DG 2 H1' DG 2 1.635 25.299 13.726 403 H8 DG 2 H8 DG 2 0.275 25.418 10.150 404 H1 DG 2 H1 DG 2 -1.509 20.251 13.568 405 H21 DG 2 H21 DG 2 0.386 21.737 16.022 406 H22 DG 2 H22 DG 2 -0.613 20.361 15.549 407 H5' DC 3 H5' DC 3 3.873 25.674 15.686 408 H5'' DC 3 H5'' DC 3 5.589 25.683 16.097 409 H4' DC 3 H4' DC 3 4.616 23.596 16.778 410 H3' DC 3 H3' DC 3 6.744 23.642 14.779 411 H2' DC 3 H2' DC 3 5.904 22.091 13.372 412 H2'' DC 3 H2'' DC 3 5.943 20.894 14.672 413 H1' DC 3 H1' DC 3 3.766 21.129 15.233 414 H41 DC 3 H41 DC 3 1.340 21.678 9.096 415 H42 DC 3 H42 DC 3 0.765 20.177 9.839 416 H5 DC 3 H5 DC 3 2.970 23.115 10.232 417 H6 DC 3 H6 DC 3 4.158 23.437 12.388 418 H5' DA 4 H5' DA 4 6.186 19.874 17.185 419 H5'' DA 4 H5'' DA 4 7.675 19.213 17.857 420 H4' DA 4 H4' DA 4 6.354 17.405 17.124 421 H3' DA 4 H3' DA 4 8.914 17.849 15.885 422 H2' DA 4 H2' DA 4 8.060 18.109 13.777 423 H2'' DA 4 H2'' DA 4 8.042 16.351 13.733 424 H1' DA 4 H1' DA 4 5.762 16.216 14.467 425 H8 DA 4 H8 DA 4 6.702 19.512 12.779 426 H61 DA 4 H61 DA 4 2.255 17.971 8.646 427 H62 DA 4 H62 DA 4 3.347 19.259 9.127 428 H2 DA 4 H2 DA 4 2.640 14.700 11.476 429 H5' DT 5 H5' DT 5 7.072 13.614 15.408 430 H5'' DT 5 H5'' DT 5 8.280 12.371 15.742 431 H4' DT 5 H4' DT 5 6.949 11.617 13.916 432 H3' DT 5 H3' DT 5 9.755 11.942 13.616 433 H2' DT 5 H2' DT 5 9.615 13.675 12.096 434 H2'' DT 5 H2'' DT 5 9.446 12.344 10.923 435 H1' DT 5 H1' DT 5 7.071 12.373 11.034 436 H3 DT 5 H3 DT 5 5.187 15.588 8.506 437 H71 DT 5 H71 DT 5 8.184 18.778 10.567 438 H72 DT 5 H72 DT 5 9.553 17.734 11.007 439 H73 DT 5 H73 DT 5 9.223 18.123 9.303 440 H6 DT 5 H6 DT 5 8.969 15.561 11.519 441 H5' DA 6 H5' DA 6 7.317 8.922 10.703 442 H5'' DA 6 H5'' DA 6 8.379 7.517 10.600 443 H4' DA 6 H4' DA 6 7.072 7.583 8.636 444 H3' DA 6 H3' DA 6 9.845 7.488 8.449 445 H2' DA 6 H2' DA 6 10.224 9.669 7.878 446 H2'' DA 6 H2'' DA 6 9.927 9.118 6.248 447 H1' DA 6 H1' DA 6 7.738 9.897 6.182 448 H8 DA 6 H8 DA 6 9.975 11.531 8.850 449 H61 DA 6 H61 DA 6 8.046 16.856 6.205 450 H62 DA 6 H62 DA 6 9.226 16.178 7.325 451 H2 DA 6 H2 DA 6 5.721 13.611 4.491 452 H5' DT 7 H5' DT 7 7.020 7.702 5.069 453 H5'' DT 7 H5'' DT 7 7.249 6.571 3.738 454 H4' DT 7 H4' DT 7 6.253 8.647 2.969 455 H3' DT 7 H3' DT 7 8.579 7.534 1.793 456 H2' DT 7 H2' DT 7 9.968 9.271 2.488 457 H2'' DT 7 H2'' DT 7 9.384 10.039 0.989 458 H1' DT 7 H1' DT 7 7.553 11.114 2.109 459 H3 DT 7 H3 DT 7 9.626 14.914 3.406 460 H71 DT 7 H71 DT 7 12.077 10.737 5.906 461 H72 DT 7 H72 DT 7 13.017 12.159 5.400 462 H73 DT 7 H73 DT 7 11.905 12.285 6.768 463 H6 DT 7 H6 DT 7 10.329 10.264 4.414 464 H5' DA 8 H5' DA 8 7.335 10.772 -1.403 465 H5'' DA 8 H5'' DA 8 7.436 9.921 -2.944 466 H4' DA 8 H4' DA 8 8.700 11.834 -3.288 467 H3' DA 8 H3' DA 8 10.372 9.432 -2.952 468 H2' DA 8 H2' DA 8 11.778 10.415 -1.481 469 H2'' DA 8 H2'' DA 8 12.369 11.378 -2.865 470 H1' DA 8 H1' DA 8 10.932 13.168 -2.428 471 H8 DA 8 H8 DA 8 11.478 11.014 0.825 472 H61 DA 8 H61 DA 8 13.282 16.597 3.105 473 H62 DA 8 H62 DA 8 13.019 14.933 3.631 474 H2 DA 8 H2 DA 8 12.195 17.152 -0.940 475 H5' DT 9 H5' DT 9 11.008 12.898 -6.015 476 H5'' DT 9 H5'' DT 9 11.715 12.217 -7.489 477 H4' DT 9 H4' DT 9 12.341 14.518 -7.352 478 H3' DT 9 H3' DT 9 14.283 12.455 -7.422 479 H2' DT 9 H2' DT 9 15.237 12.805 -5.426 480 H2'' DT 9 H2'' DT 9 16.063 14.171 -6.160 481 H1' DT 9 H1' DT 9 14.545 15.757 -5.425 482 H3 DT 9 H3 DT 9 15.344 16.425 -1.032 483 H71 DT 9 H71 DT 9 14.575 11.072 -1.825 484 H72 DT 9 H72 DT 9 15.904 11.628 -0.781 485 H73 DT 9 H73 DT 9 14.242 11.803 -0.232 486 H6 DT 9 H6 DT 9 14.215 12.504 -3.618 487 H5' DG 10 H5' DG 10 15.152 16.929 -7.949 488 H5'' DG 10 H5'' DG 10 16.056 17.158 -9.446 489 H4' DG 10 H4' DG 10 16.566 18.983 -8.042 490 H3' DG 10 H3' DG 10 18.598 17.351 -9.040 491 H2' DG 10 H2' DG 10 19.001 16.231 -7.039 492 H2'' DG 10 H2'' DG 10 20.142 17.551 -6.791 493 H1' DG 10 H1' DG 10 18.606 18.827 -5.503 494 H8 DG 10 H8 DG 10 17.953 15.059 -5.535 495 H1 DG 10 H1 DG 10 19.046 17.563 0.294 496 H21 DG 10 H21 DG 10 19.480 20.465 -1.484 497 H22 DG 10 H22 DG 10 19.569 19.637 0.074 498 H5' DC 11 H5' DC 11 19.765 21.340 -6.729 499 H5'' DC 11 H5'' DC 11 20.857 22.210 -7.807 500 H4' DC 11 H4' DC 11 21.331 22.873 -5.579 501 H3' DC 11 H3' DC 11 23.329 21.845 -7.233 502 H2' DC 11 H2' DC 11 23.609 19.806 -6.204 503 H2'' DC 11 H2'' DC 11 24.665 20.696 -5.110 504 H1' DC 11 H1' DC 11 23.047 21.005 -3.485 505 H41 DC 11 H41 DC 11 21.203 14.658 -3.202 506 H42 DC 11 H42 DC 11 21.475 15.261 -1.561 507 H5 DC 11 H5 DC 11 21.570 16.058 -5.150 508 H6 DC 11 H6 DC 11 22.115 18.373 -5.852 509 H5' DG 12 H5' DG 12 25.161 23.236 -3.224 510 H5'' DG 12 H5'' DG 12 26.744 23.996 -3.398 511 H4' DG 12 H4' DG 12 26.894 22.353 -1.667 512 H3' DG 12 H3' DG 12 28.248 21.504 -4.226 513 HO3' DG 12 H3T DG 12 29.369 23.008 -2.864 514 H2' DG 12 H2' DG 12 28.325 19.353 -3.624 515 H2'' DG 12 H2'' DG 12 28.882 19.738 -1.976 516 H1' DG 12 H1' DG 12 26.769 19.749 -1.096 517 H8 DG 12 H8 DG 12 26.109 18.737 -4.741 518 H1 DG 12 H1 DG 12 24.652 14.329 -0.259 519 H21 DG 12 H21 DG 12 25.951 16.711 1.866 520 H22 DG 12 H22 DG 12 25.353 15.059 1.698 521 H5' DC 13 H5' DC 13 25.035 7.590 4.679 522 H5'' DC 13 H5'' DC 13 24.342 7.644 6.296 523 H4' DC 13 H4' DC 13 25.757 9.555 5.957 524 H3' DC 13 H3' DC 13 23.114 9.732 6.797 525 H2' DC 13 H2' DC 13 22.234 10.625 4.839 526 H2'' DC 13 H2'' DC 13 22.728 12.163 5.574 527 H1' DC 13 H1' DC 13 24.795 12.203 4.489 528 H41 DC 13 H41 DC 13 22.178 11.664 -1.563 529 H42 DC 13 H42 DC 13 23.360 12.974 -1.574 530 H5 DC 13 H5 DC 13 21.684 10.374 0.460 531 H6 DC 13 H6 DC 13 22.346 10.064 2.785 532 HO5' DC 13 H5T DC 13 22.775 7.019 4.662 533 H5' DG 14 H5' DG 14 25.711 13.954 7.128 534 H5'' DG 14 H5'' DG 14 25.403 14.368 8.809 535 H4' DG 14 H4' DG 14 25.712 16.406 7.749 536 H3' DG 14 H3' DG 14 23.266 15.936 8.983 537 H2' DG 14 H2' DG 14 22.027 15.584 7.033 538 H2'' DG 14 H2'' DG 14 21.833 17.323 7.093 539 H1' DG 14 H1' DG 14 23.533 17.735 5.559 540 H8 DG 14 H8 DG 14 22.063 14.218 5.393 541 H1 DG 14 H1 DG 14 22.298 17.354 -0.228 542 H21 DG 14 H21 DG 14 23.771 19.807 1.670 543 H22 DG 14 H22 DG 14 23.164 19.308 0.085 544 H5' DC 15 H5' DC 15 23.785 20.048 7.052 545 H5'' DC 15 H5'' DC 15 23.058 21.429 7.875 546 H4' DC 15 H4' DC 15 22.645 21.512 5.486 547 H3' DC 15 H3' DC 15 20.287 21.160 7.284 548 H2' DC 15 H2' DC 15 19.006 20.251 5.686 549 H2'' DC 15 H2'' DC 15 19.380 21.557 4.537 550 H1' DC 15 H1' DC 15 21.120 20.477 3.563 551 H41 DC 15 H41 DC 15 18.375 14.496 3.168 552 H42 DC 15 H42 DC 15 18.407 15.264 1.569 553 H5 DC 15 H5 DC 15 19.047 15.752 5.184 554 H6 DC 15 H6 DC 15 20.040 17.897 5.928 555 H5' DA 16 H5' DA 16 20.480 23.674 3.668 556 H5'' DA 16 H5'' DA 16 19.931 25.335 3.869 557 H4' DA 16 H4' DA 16 19.418 24.695 1.667 558 H3' DA 16 H3' DA 16 17.345 25.473 3.427 559 H2' DA 16 H2' DA 16 16.458 23.345 3.592 560 H2'' DA 16 H2'' DA 16 15.511 23.865 2.194 561 H1' DA 16 H1' DA 16 17.059 22.898 0.632 562 H8 DA 16 H8 DA 16 17.100 21.317 4.103 563 H61 DA 16 H61 DA 16 15.604 16.049 1.057 564 H62 DA 16 H62 DA 16 16.104 16.670 2.623 565 H2 DA 16 H2 DA 16 15.434 19.306 -1.781 566 H5' DT 17 H5' DT 17 15.947 24.856 -0.885 567 H5'' DT 17 H5'' DT 17 14.912 26.163 -1.465 568 H4' DT 17 H4' DT 17 14.011 24.116 -2.241 569 H3' DT 17 H3' DT 17 12.444 25.740 -0.436 570 H2' DT 17 H2' DT 17 12.133 24.057 1.081 571 H2'' DT 17 H2'' DT 17 10.896 23.451 -0.037 572 H1' DT 17 H1' DT 17 12.451 22.049 -1.187 573 H3 DT 17 H3 DT 17 12.810 18.219 1.188 574 H71 DT 17 H71 DT 17 12.717 20.998 5.142 575 H72 DT 17 H72 DT 17 14.455 20.828 4.883 576 H73 DT 17 H73 DT 17 13.659 22.394 4.575 577 H6 DT 17 H6 DT 17 13.328 22.854 2.366 578 H5' DA 18 H5' DA 18 10.483 22.524 -2.775 579 H5'' DA 18 H5'' DA 18 9.148 23.130 -3.758 580 H4' DA 18 H4' DA 18 8.448 21.025 -3.135 581 H3' DA 18 H3' DA 18 7.023 23.163 -1.730 582 H2' DA 18 H2' DA 18 7.462 22.319 0.317 583 H2'' DA 18 H2'' DA 18 6.172 21.154 -0.062 584 H1' DA 18 H1' DA 18 7.693 19.534 -0.828 585 H8 DA 18 H8 DA 18 9.023 21.917 1.879 586 H61 DA 18 H61 DA 18 10.740 16.456 4.547 587 H62 DA 18 H62 DA 18 10.662 18.186 4.903 588 H2 DA 18 H2 DA 18 9.389 15.632 0.602 589 H5' DT 19 H5' DT 19 5.728 18.899 -2.289 590 H5'' DT 19 H5'' DT 19 4.197 18.878 -3.169 591 H4' DT 19 H4' DT 19 3.886 17.100 -1.692 592 H3' DT 19 H3' DT 19 2.355 19.438 -1.009 593 H2' DT 19 H2' DT 19 3.692 19.955 0.800 594 H2'' DT 19 H2'' DT 19 2.501 18.909 1.619 595 H1' DT 19 H1' DT 19 3.849 16.915 1.177 596 H3 DT 19 H3 DT 19 6.726 16.400 4.566 597 H71 DT 19 H71 DT 19 7.703 21.101 4.412 598 H72 DT 19 H72 DT 19 6.480 21.697 3.269 599 H73 DT 19 H73 DT 19 6.030 21.254 4.937 600 H6 DT 19 H6 DT 19 5.396 20.169 1.885 601 H5' DA 20 H5' DA 20 -1.397 15.566 -0.189 602 H5'' DA 20 H5'' DA 20 -0.139 16.353 0.755 603 H4' DA 20 H4' DA 20 0.024 13.414 -0.016 604 H3' DA 20 H3' DA 20 -1.934 14.571 1.579 605 H2' DA 20 H2' DA 20 -0.544 15.576 3.089 606 H2'' DA 20 H2'' DA 20 -0.654 14.029 3.938 607 H1' DA 20 H1' DA 20 1.390 13.234 3.119 608 H8 DA 20 H8 DA 20 1.560 16.997 2.235 609 H61 DA 20 H61 DA 20 4.949 17.641 7.389 610 H62 DA 20 H62 DA 20 4.187 18.515 6.062 611 H2 DA 20 H2 DA 20 3.769 13.475 7.143 612 H5' DT 21 H5' DT 21 -0.318 11.227 4.001 613 H5'' DT 21 H5'' DT 21 -1.610 10.031 4.098 614 H4' DT 21 H4' DT 21 -0.548 9.865 6.163 615 H3' DT 21 H3' DT 21 -3.188 10.717 6.155 616 H2' DT 21 H2' DT 21 -2.825 12.939 6.646 617 H2'' DT 21 H2'' DT 21 -2.840 12.336 8.323 618 H1' DT 21 H1' DT 21 -0.547 12.147 8.464 619 H3 DT 21 H3 DT 21 1.671 16.031 8.877 620 H71 DT 21 H71 DT 21 -1.588 17.963 5.917 621 H72 DT 21 H72 DT 21 -0.377 17.477 4.726 622 H73 DT 21 H73 DT 21 -1.934 16.614 4.817 623 H6 DT 21 H6 DT 21 -1.728 14.527 5.792 624 H5' DG 22 H5' DG 22 -1.239 9.900 10.310 625 H5'' DG 22 H5'' DG 22 -2.367 9.029 11.370 626 H4' DG 22 H4' DG 22 -1.191 10.582 12.711 627 H3' DG 22 H3' DG 22 -4.035 10.856 12.460 628 H2' DG 22 H2' DG 22 -3.882 12.925 11.410 629 H2'' DG 22 H2'' DG 22 -3.802 13.518 13.085 630 H1' DG 22 H1' DG 22 -1.394 13.434 13.091 631 H8 DG 22 H8 DG 22 -3.038 14.162 9.700 632 H1 DG 22 H1 DG 22 0.877 18.748 12.003 633 H21 DG 22 H21 DG 22 1.212 16.522 14.610 634 H22 DG 22 H22 DG 22 1.624 18.108 13.950 635 H5' DC 23 H5' DC 23 -1.397 12.548 16.015 636 H5'' DC 23 H5'' DC 23 -2.216 11.997 17.476 637 H4' DC 23 H4' DC 23 -0.915 13.876 18.063 638 H3' DC 23 H3' DC 23 -3.669 13.844 18.511 639 H2' DC 23 H2' DC 23 -4.288 15.392 16.934 640 H2'' DC 23 H2'' DC 23 -3.861 16.584 18.143 641 H1' DC 23 H1' DC 23 -1.738 16.974 17.294 642 H41 DC 23 H41 DC 23 -4.019 17.929 11.152 643 H42 DC 23 H42 DC 23 -3.001 19.297 11.617 644 H5 DC 23 H5 DC 23 -4.402 16.053 12.658 645 H6 DC 23 H6 DC 23 -3.798 15.147 14.893 646 H5' DG 24 H5' DG 24 -1.875 17.632 20.485 647 H5'' DG 24 H5'' DG 24 -2.686 18.065 21.993 648 H4' DG 24 H4' DG 24 -2.587 20.003 20.619 649 H3' DG 24 H3' DG 24 -5.352 18.816 20.746 650 HO3' DG 24 H3T DG 24 -5.661 20.699 22.064 651 H2' DG 24 H2' DG 24 -6.077 20.064 19.021 652 H2'' DG 24 H2'' DG 24 -5.259 21.537 19.616 653 H1' DG 24 H1' DG 24 -3.362 21.163 18.404 654 H8 DG 24 H8 DG 24 -5.576 18.241 17.255 655 H1 DG 24 H1 DG 24 -4.260 22.772 12.844 656 H21 DG 24 H21 DG 24 -2.538 24.185 15.479 657 H22 DG 24 H22 DG 24 -3.090 24.366 13.816 Start of MODEL 4 1 H ALA 79 H1 ALA 79 -1.799 6.330 9.030 2 HA ALA 79 HA ALA 79 1.097 5.790 9.401 3 HB1 ALA 79 HB1 ALA 79 -1.129 4.351 7.886 4 HB2 ALA 79 HB2 ALA 79 0.613 3.923 7.797 5 HB3 ALA 79 HB3 ALA 79 -0.281 3.745 9.322 6 H ARG 80 H ARG 80 2.387 5.951 7.541 7 HA ARG 80 HA ARG 80 1.935 8.218 5.818 8 HB2 ARG 80 HB2 ARG 80 4.072 6.068 5.863 9 HB3 ARG 80 HB3 ARG 80 4.123 7.462 4.778 10 HG2 ARG 80 HG2 ARG 80 3.797 7.835 7.762 11 HG3 ARG 80 HG3 ARG 80 5.397 7.624 7.048 12 HD2 ARG 80 HD2 ARG 80 5.285 9.658 5.883 13 HD3 ARG 80 HD3 ARG 80 3.532 9.718 5.945 14 HE ARG 80 HE ARG 80 5.432 10.412 8.138 15 HH11 ARG 80 HH11 ARG 80 2.060 10.427 7.049 16 HH12 ARG 80 HH12 ARG 80 1.618 11.502 8.336 17 HH21 ARG 80 HH22 ARG 80 4.643 11.961 9.592 18 HH22 ARG 80 HH21 ARG 80 2.915 12.209 9.715 19 H LYS 81 H LYS 81 -0.251 7.155 5.219 20 HA LYS 81 HA LYS 81 -0.664 5.202 3.263 21 HB2 LYS 81 HB2 LYS 81 -2.123 7.770 4.033 22 HB3 LYS 81 HB3 LYS 81 -2.761 6.651 2.838 23 HG2 LYS 81 HG2 LYS 81 -3.275 5.017 4.368 24 HG3 LYS 81 HG3 LYS 81 -2.022 5.513 5.538 25 HD2 LYS 81 HD2 LYS 81 -3.282 7.444 6.216 26 HD3 LYS 81 HD3 LYS 81 -4.515 7.167 4.966 27 HE2 LYS 81 HE2 LYS 81 -5.276 5.138 6.005 28 HE3 LYS 81 HE3 LYS 81 -3.886 5.078 7.092 29 HZ1 LYS 81 HZ1 LYS 81 -5.926 5.918 8.194 30 HZ2 LYS 81 HZ2 LYS 81 -4.705 7.012 8.254 31 HZ3 LYS 81 HZ3 LYS 81 -5.945 7.223 7.202 32 H VAL 82 H VAL 82 -0.443 5.095 1.296 33 HA VAL 82 HA VAL 82 0.778 7.098 -0.444 34 HB VAL 82 HB VAL 82 -0.502 4.406 -1.053 35 HG11 VAL 82 HG11 VAL 82 0.854 4.552 -3.200 36 HG12 VAL 82 HG12 VAL 82 -0.573 5.575 -3.106 37 HG13 VAL 82 HG13 VAL 82 1.044 6.289 -2.874 38 HG21 VAL 82 HG21 VAL 82 1.504 4.295 0.395 39 HG22 VAL 82 HG22 VAL 82 1.743 3.541 -1.187 40 HG23 VAL 82 HG23 VAL 82 2.428 5.150 -0.880 41 H LYS 83 H LYS 83 -0.194 8.542 -1.747 42 HA LYS 83 HA LYS 83 -3.059 8.202 -2.448 43 HB2 LYS 83 HB2 LYS 83 -1.377 10.638 -1.966 44 HB3 LYS 83 HB3 LYS 83 -2.524 10.681 -3.329 45 HG2 LYS 83 HG2 LYS 83 -4.381 10.085 -1.921 46 HG3 LYS 83 HG3 LYS 83 -3.337 9.977 -0.488 47 HD2 LYS 83 HD2 LYS 83 -2.850 12.336 -0.563 48 HD3 LYS 83 HD3 LYS 83 -3.497 12.482 -2.203 49 HE2 LYS 83 HE2 LYS 83 -5.193 13.422 -0.881 50 HE3 LYS 83 HE3 LYS 83 -5.774 11.812 -1.322 51 HZ1 LYS 83 HZ1 LYS 83 -4.783 11.132 0.971 52 HZ2 LYS 83 HZ2 LYS 83 -4.708 12.696 1.318 53 HZ3 LYS 83 HZ3 LYS 83 -6.177 12.034 1.005 54 H GLN 84 H GLN 84 -3.451 7.656 -4.473 55 HA GLN 84 HA GLN 84 -1.268 7.670 -6.456 56 HB2 GLN 84 HB2 GLN 84 -2.229 5.680 -6.945 57 HB3 GLN 84 HB3 GLN 84 -3.731 6.047 -6.095 58 HG2 GLN 84 HG2 GLN 84 -4.560 7.257 -8.017 59 HG3 GLN 84 HG3 GLN 84 -3.040 6.998 -8.905 60 HE21 GLN 84 HE21 GLN 84 -2.397 4.560 -9.189 61 HE22 GLN 84 HE22 GLN 84 -3.742 3.472 -9.467 62 H TYR 85 H TYR 85 -1.507 9.044 -8.171 63 HA TYR 85 HA TYR 85 -3.834 10.943 -8.185 64 HB2 TYR 85 HB2 TYR 85 -0.934 11.644 -8.802 65 HB3 TYR 85 HB3 TYR 85 -2.311 12.733 -8.893 66 HD1 TYR 85 HD2 TYR 85 -3.511 13.452 -6.864 67 HD2 TYR 85 HD1 TYR 85 0.173 11.230 -6.662 68 HE1 TYR 85 HE2 TYR 85 -3.156 14.283 -4.540 69 HE2 TYR 85 HE1 TYR 85 0.536 12.025 -4.339 70 HH TYR 85 HH TYR 85 -0.238 13.437 -2.646 71 H LYS 86 H LYS 86 -4.794 11.112 -10.182 72 HA LYS 86 HA LYS 86 -3.578 9.615 -12.491 73 HB2 LYS 86 HB2 LYS 86 -5.192 8.418 -10.864 74 HB3 LYS 86 HB3 LYS 86 -6.467 9.423 -11.551 75 HG2 LYS 86 HG2 LYS 86 -4.807 7.256 -12.845 76 HG3 LYS 86 HG3 LYS 86 -6.528 7.265 -12.510 77 HD2 LYS 86 HD2 LYS 86 -6.815 9.133 -14.196 78 HD3 LYS 86 HD3 LYS 86 -5.095 8.987 -14.582 79 HE2 LYS 86 HE2 LYS 86 -6.240 7.788 -16.274 80 HE3 LYS 86 HE3 LYS 86 -5.460 6.586 -15.240 81 HZ1 LYS 86 HZ1 LYS 86 -7.768 5.991 -15.804 82 HZ2 LYS 86 HZ2 LYS 86 -7.650 6.182 -14.192 83 HZ3 LYS 86 HZ3 LYS 86 -8.348 7.346 -15.109 84 H ASN 87 H ASN 87 -3.165 11.273 -13.888 85 HA ASN 87 HA ASN 87 -4.631 13.744 -13.828 86 HB2 ASN 87 HB2 ASN 87 -2.238 13.548 -14.177 87 HB3 ASN 87 HB3 ASN 87 -2.477 12.747 -15.727 88 HD21 ASN 87 HD22 ASN 87 -1.043 15.276 -15.087 89 HD22 ASN 87 HD21 ASN 87 -1.904 16.525 -15.981 90 HA PRO 88 HA PRO 88 -7.674 12.391 -16.920 91 HB2 PRO 88 HB2 PRO 88 -9.298 14.584 -16.918 92 HB3 PRO 88 HB3 PRO 88 -9.245 13.395 -15.578 93 HG2 PRO 88 HG2 PRO 88 -7.817 16.060 -15.759 94 HG3 PRO 88 HG3 PRO 88 -8.777 15.405 -14.393 95 HD2 PRO 88 HD2 PRO 88 -6.043 15.245 -14.511 96 HD3 PRO 88 HD3 PRO 88 -7.039 13.971 -13.744 97 H HIS 89 H HIS 89 -5.565 15.192 -17.221 98 HA HIS 89 HA HIS 89 -6.376 15.832 -19.981 99 HB2 HIS 89 HB2 HIS 89 -4.069 16.888 -18.288 100 HB3 HIS 89 HB3 HIS 89 -4.618 17.544 -19.826 101 HD1 HIS 89 HD1 HIS 89 -7.216 18.616 -19.779 102 HD2 HIS 89 HD2 HIS 89 -5.253 17.802 -16.125 103 HE1 HIS 89 HE1 HIS 89 -8.481 19.942 -17.978 104 HE2 HIS 89 HE2 HIS 89 -7.280 19.458 -15.752 105 H THR 90 H THR 90 -3.944 13.820 -18.468 106 HA THR 90 HA THR 90 -2.584 13.392 -21.120 107 HB THR 90 HB THR 90 -0.544 13.004 -19.872 108 HG1 THR 90 HG1 THR 90 -0.606 13.349 -17.582 109 HG21 THR 90 HG21 THR 90 -1.155 15.414 -20.343 110 HG22 THR 90 HG22 THR 90 -1.849 15.504 -18.702 111 HG23 THR 90 HG23 THR 90 -0.110 15.185 -18.924 112 H GLY 91 H GLY 91 -4.113 11.732 -18.414 113 HA2 GLY 91 HA2 GLY 91 -4.651 9.509 -18.166 114 HA3 GLY 91 HA3 GLY 91 -3.828 9.113 -19.680 115 H GLU 92 H GLU 92 -1.707 10.933 -17.610 116 HA GLU 92 HA GLU 92 -0.148 8.584 -16.938 117 HB2 GLU 92 HB2 GLU 92 0.194 11.558 -16.536 118 HB3 GLU 92 HB3 GLU 92 1.194 10.407 -15.658 119 HG2 GLU 92 HG2 GLU 92 0.953 10.196 -18.639 120 HG3 GLU 92 HG3 GLU 92 2.076 11.344 -17.871 121 H VAL 93 H VAL 93 0.370 8.054 -14.910 122 HA VAL 93 HA VAL 93 -1.351 8.869 -12.632 123 HB VAL 93 HB VAL 93 -0.518 6.066 -13.248 124 HG11 VAL 93 HG11 VAL 93 -2.745 7.188 -11.435 125 HG12 VAL 93 HG12 VAL 93 -2.443 5.462 -11.713 126 HG13 VAL 93 HG13 VAL 93 -1.237 6.424 -10.874 127 HG21 VAL 93 HG21 VAL 93 -1.921 6.481 -15.103 128 HG22 VAL 93 HG22 VAL 93 -2.979 5.680 -13.945 129 HG23 VAL 93 HG23 VAL 93 -3.048 7.454 -14.147 130 H ILE 94 H ILE 94 -0.437 8.517 -10.630 131 HA ILE 94 HA ILE 94 2.384 7.726 -10.303 132 HB ILE 94 HB ILE 94 1.839 10.000 -8.588 133 HG12 ILE 94 HG12 ILE 94 1.883 10.826 -11.516 134 HG13 ILE 94 HG13 ILE 94 0.463 10.880 -10.457 135 HG21 ILE 94 HG21 ILE 94 4.048 8.919 -9.102 136 HG22 ILE 94 HG22 ILE 94 4.003 9.722 -10.694 137 HG23 ILE 94 HG23 ILE 94 4.042 10.668 -9.180 138 HD11 ILE 94 HD11 ILE 94 1.703 12.350 -8.883 139 HD12 ILE 94 HD12 ILE 94 3.008 12.464 -10.092 140 HD13 ILE 94 HD13 ILE 94 1.387 13.065 -10.488 141 H GLU 95 H GLU 95 2.886 7.657 -7.985 142 HA GLU 95 HA GLU 95 0.730 7.382 -6.001 143 HB2 GLU 95 HB2 GLU 95 2.572 5.189 -6.967 144 HB3 GLU 95 HB3 GLU 95 1.971 5.188 -5.291 145 HG2 GLU 95 HG2 GLU 95 -0.312 5.103 -6.013 146 HG3 GLU 95 HG3 GLU 95 0.148 5.250 -7.715 147 H THR 96 H THR 96 1.430 8.567 -4.308 148 HA THR 96 HA THR 96 4.249 8.361 -3.391 149 HB THR 96 HB THR 96 4.895 10.473 -3.722 150 HG1 THR 96 HG1 THR 96 3.582 12.268 -3.433 151 HG21 THR 96 HG21 THR 96 4.101 10.003 -6.056 152 HG22 THR 96 HG22 THR 96 2.523 10.712 -5.625 153 HG23 THR 96 HG23 THR 96 3.993 11.714 -5.640 154 H LYS 97 H LYS 97 4.535 8.940 -1.157 155 HA LYS 97 HA LYS 97 2.014 8.933 0.459 156 HB2 LYS 97 HB2 LYS 97 4.885 8.733 1.338 157 HB3 LYS 97 HB3 LYS 97 3.475 8.373 2.324 158 HG2 LYS 97 HG2 LYS 97 2.976 6.384 1.043 159 HG3 LYS 97 HG3 LYS 97 4.180 6.776 -0.177 160 HD2 LYS 97 HD2 LYS 97 5.934 6.653 1.722 161 HD3 LYS 97 HD3 LYS 97 4.664 5.880 2.672 162 HE2 LYS 97 HE2 LYS 97 5.985 4.147 1.713 163 HE3 LYS 97 HE3 LYS 97 4.457 4.148 0.834 164 HZ1 LYS 97 HZ1 LYS 97 6.442 3.998 -0.643 165 HZ2 LYS 97 HZ2 LYS 97 5.600 5.364 -0.979 166 HZ3 LYS 97 HZ3 LYS 97 6.982 5.463 -0.136 167 H GLY 98 H GLY 98 3.483 11.271 -1.044 168 HA2 GLY 98 HA2 GLY 98 2.883 13.605 -0.325 169 HA3 GLY 98 HA3 GLY 98 3.756 13.243 1.171 170 H GLY 99 H GLY 99 4.926 15.139 0.573 171 HA2 GLY 99 HA2 GLY 99 6.924 16.062 0.212 172 HA3 GLY 99 HA3 GLY 99 7.509 14.493 -0.298 173 H ASN 100 H ASN 100 8.600 16.679 -1.217 174 HA ASN 100 HA ASN 100 7.991 17.621 -3.821 175 HB2 ASN 100 HB2 ASN 100 9.659 18.720 -2.530 176 HB3 ASN 100 HB3 ASN 100 10.427 17.221 -2.088 177 HD21 ASN 100 HD22 ASN 100 12.288 18.599 -2.549 178 HD22 ASN 100 HD21 ASN 100 13.002 18.237 -4.108 179 H HIS 101 H HIS 101 7.265 16.149 -5.266 180 HA HIS 101 HA HIS 101 9.117 13.995 -6.168 181 HB2 HIS 101 HB2 HIS 101 7.181 13.120 -4.795 182 HB3 HIS 101 HB3 HIS 101 6.083 13.729 -6.018 183 HD1 HIS 101 HD1 HIS 101 8.999 11.118 -5.676 184 HD2 HIS 101 HD2 HIS 101 5.698 12.158 -8.133 185 HE1 HIS 101 HE1 HIS 101 8.718 9.224 -7.370 186 HE2 HIS 101 HE2 HIS 101 6.746 9.856 -8.883 187 H LYS 102 H LYS 102 9.533 14.024 -8.333 188 HA LYS 102 HA LYS 102 9.285 16.372 -9.753 189 HB2 LYS 102 HB2 LYS 102 10.897 14.534 -10.094 190 HB3 LYS 102 HB3 LYS 102 9.705 13.721 -11.122 191 HG2 LYS 102 HG2 LYS 102 9.580 15.708 -12.577 192 HG3 LYS 102 HG3 LYS 102 10.640 16.624 -11.500 193 HD2 LYS 102 HD2 LYS 102 11.416 14.116 -13.005 194 HD3 LYS 102 HD3 LYS 102 11.755 15.782 -13.525 195 HE2 LYS 102 HE2 LYS 102 13.074 16.160 -11.432 196 HE3 LYS 102 HE3 LYS 102 12.795 14.478 -10.963 197 HZ1 LYS 102 HZ1 LYS 102 14.919 14.691 -11.983 198 HZ2 LYS 102 HZ2 LYS 102 13.992 13.794 -12.996 199 HZ3 LYS 102 HZ3 LYS 102 14.321 15.365 -13.357 200 H THR 103 H THR 103 7.419 13.531 -11.011 201 HA THR 103 HA THR 103 5.970 15.073 -12.855 202 HB THR 103 HB THR 103 4.962 12.535 -11.545 203 HG1 THR 103 HG1 THR 103 6.067 11.551 -13.296 204 HG21 THR 103 HG21 THR 103 4.339 14.020 -14.126 205 HG22 THR 103 HG22 THR 103 3.933 12.285 -13.912 206 HG23 THR 103 HG23 THR 103 3.215 13.509 -12.853 207 H LEU 104 H LEU 104 5.076 14.309 -9.512 208 HA LEU 104 HA LEU 104 2.462 15.424 -9.499 209 HB2 LEU 104 HB2 LEU 104 3.449 13.882 -7.803 210 HB3 LEU 104 HB3 LEU 104 4.536 15.162 -7.268 211 HG LEU 104 HG LEU 104 2.650 16.476 -6.433 212 HD11 LEU 104 HD11 LEU 104 0.376 15.451 -6.325 213 HD12 LEU 104 HD12 LEU 104 0.869 15.770 -7.993 214 HD13 LEU 104 HD13 LEU 104 0.929 14.115 -7.344 215 HD21 LEU 104 HD21 LEU 104 2.013 15.004 -4.585 216 HD22 LEU 104 HD22 LEU 104 2.536 13.579 -5.494 217 HD23 LEU 104 HD23 LEU 104 3.726 14.800 -4.965 218 H LYS 105 H LYS 105 5.661 16.966 -9.032 219 HA LYS 105 HA LYS 105 4.574 19.572 -8.372 220 HB2 LYS 105 HB2 LYS 105 6.847 18.906 -7.697 221 HB3 LYS 105 HB3 LYS 105 7.326 18.711 -9.372 222 HG2 LYS 105 HG2 LYS 105 8.224 20.780 -8.525 223 HG3 LYS 105 HG3 LYS 105 7.072 21.106 -9.803 224 HD2 LYS 105 HD2 LYS 105 6.710 22.750 -8.138 225 HD3 LYS 105 HD3 LYS 105 5.338 21.656 -8.012 226 HE2 LYS 105 HE2 LYS 105 6.536 20.487 -6.092 227 HE3 LYS 105 HE3 LYS 105 7.846 21.665 -6.262 228 HZ1 LYS 105 HZ1 LYS 105 6.401 22.451 -4.551 229 HZ2 LYS 105 HZ2 LYS 105 6.066 23.426 -5.828 230 HZ3 LYS 105 HZ3 LYS 105 5.050 22.183 -5.379 231 H GLU 106 H GLU 106 5.391 17.994 -11.482 232 HA GLU 106 HA GLU 106 5.197 20.421 -13.006 233 HB2 GLU 106 HB2 GLU 106 4.533 17.645 -14.021 234 HB3 GLU 106 HB3 GLU 106 5.067 19.065 -14.958 235 HG2 GLU 106 HG2 GLU 106 7.225 18.888 -13.531 236 HG3 GLU 106 HG3 GLU 106 6.559 17.310 -13.052 237 H TRP 107 H TRP 107 2.928 17.839 -12.202 238 HA TRP 107 HA TRP 107 0.666 18.920 -13.580 239 HB2 TRP 107 HB2 TRP 107 0.721 17.282 -11.026 240 HB3 TRP 107 HB3 TRP 107 -0.705 17.606 -12.014 241 HD1 TRP 107 HD1 TRP 107 2.055 16.810 -14.352 242 HE1 TRP 107 HE1 TRP 107 1.934 14.372 -15.100 243 HE3 TRP 107 HE3 TRP 107 -1.403 15.082 -10.983 244 HZ2 TRP 107 HZ2 TRP 107 0.750 11.954 -14.196 245 HZ3 TRP 107 HZ3 TRP 107 -2.100 12.698 -11.059 246 HH2 TRP 107 HH2 TRP 107 -0.989 11.114 -12.614 247 H LYS 108 H LYS 108 1.827 19.672 -10.280 248 HA LYS 108 HA LYS 108 -0.323 21.509 -9.626 249 HB2 LYS 108 HB2 LYS 108 2.558 21.323 -8.636 250 HB3 LYS 108 HB3 LYS 108 1.370 22.476 -8.022 251 HG2 LYS 108 HG2 LYS 108 -0.143 20.566 -7.437 252 HG3 LYS 108 HG3 LYS 108 1.140 19.446 -7.895 253 HD2 LYS 108 HD2 LYS 108 2.661 20.665 -6.249 254 HD3 LYS 108 HD3 LYS 108 1.234 21.583 -5.719 255 HE2 LYS 108 HE2 LYS 108 0.091 19.346 -5.224 256 HE3 LYS 108 HE3 LYS 108 1.598 18.545 -5.654 257 HZ1 LYS 108 HZ1 LYS 108 1.694 18.773 -3.359 258 HZ2 LYS 108 HZ2 LYS 108 2.649 20.043 -3.880 259 HZ3 LYS 108 HZ3 LYS 108 1.134 20.329 -3.341 260 H ALA 109 H ALA 109 2.749 21.916 -11.435 261 HA ALA 109 HA ALA 109 2.621 24.772 -11.574 262 HB1 ALA 109 HB1 ALA 109 4.657 23.311 -12.014 263 HB2 ALA 109 HB2 ALA 109 3.909 22.827 -13.555 264 HB3 ALA 109 HB3 ALA 109 4.335 24.514 -13.288 265 H LYS 110 H LYS 110 1.761 22.168 -13.825 266 HA LYS 110 HA LYS 110 0.951 23.750 -15.887 267 HB2 LYS 110 HB2 LYS 110 0.673 20.824 -15.242 268 HB3 LYS 110 HB3 LYS 110 -0.015 21.467 -16.745 269 HG2 LYS 110 HG2 LYS 110 2.193 22.332 -17.420 270 HG3 LYS 110 HG3 LYS 110 2.906 21.769 -15.906 271 HD2 LYS 110 HD2 LYS 110 3.506 20.125 -17.505 272 HD3 LYS 110 HD3 LYS 110 2.204 19.419 -16.550 273 HE2 LYS 110 HE2 LYS 110 1.654 18.855 -18.772 274 HE3 LYS 110 HE3 LYS 110 0.589 20.213 -18.390 275 HZ1 LYS 110 HZ1 LYS 110 1.640 20.459 -20.585 276 HZ2 LYS 110 HZ2 LYS 110 2.151 21.674 -19.622 277 HZ3 LYS 110 HZ3 LYS 110 3.134 20.402 -19.944 278 H TRP 111 H TRP 111 -1.032 22.219 -13.402 279 HA TRP 111 HA TRP 111 -3.494 23.572 -14.484 280 HB2 TRP 111 HB2 TRP 111 -3.320 20.769 -13.340 281 HB3 TRP 111 HB3 TRP 111 -4.783 21.582 -13.867 282 HD1 TRP 111 HD1 TRP 111 -5.022 22.064 -16.543 283 HE1 TRP 111 HE1 TRP 111 -4.126 20.777 -18.579 284 HE3 TRP 111 HE3 TRP 111 -1.402 19.328 -14.224 285 HZ2 TRP 111 HZ2 TRP 111 -2.082 18.799 -19.129 286 HZ3 TRP 111 HZ3 TRP 111 0.076 17.799 -15.538 287 HH2 TRP 111 HH2 TRP 111 -0.286 17.498 -17.967 288 H GLY 112 H GLY 112 -2.175 22.054 -11.468 289 HA2 GLY 112 HA2 GLY 112 -1.997 23.997 -9.758 290 HA3 GLY 112 HA3 GLY 112 -3.747 24.048 -9.853 291 HA PRO 113 HA PRO 113 -2.167 20.775 -6.711 292 HB2 PRO 113 HB2 PRO 113 -2.548 22.177 -4.337 293 HB3 PRO 113 HB3 PRO 113 -1.000 21.993 -5.208 294 HG2 PRO 113 HG2 PRO 113 -2.939 24.303 -5.304 295 HG3 PRO 113 HG3 PRO 113 -1.142 24.344 -5.209 296 HD2 PRO 113 HD2 PRO 113 -2.485 24.745 -7.536 297 HD3 PRO 113 HD3 PRO 113 -0.927 23.864 -7.496 298 H GLU 114 H GLU 114 -4.898 23.104 -6.599 299 HA GLU 114 HA GLU 114 -6.702 21.553 -5.044 300 HB2 GLU 114 HB2 GLU 114 -7.456 23.277 -7.418 301 HB3 GLU 114 HB3 GLU 114 -8.392 22.898 -5.944 302 HG2 GLU 114 HG2 GLU 114 -6.612 24.191 -4.649 303 HG3 GLU 114 HG3 GLU 114 -5.942 24.655 -6.224 304 H ALA 115 H ALA 115 -6.133 21.733 -8.479 305 HA ALA 115 HA ALA 115 -8.012 19.829 -9.431 306 HB1 ALA 115 HB1 ALA 115 -6.607 21.559 -10.729 307 HB2 ALA 115 HB2 ALA 115 -5.273 20.353 -10.672 308 HB3 ALA 115 HB3 ALA 115 -6.795 19.954 -11.473 309 H VAL 116 H VAL 116 -4.534 19.540 -8.823 310 HA VAL 116 HA VAL 116 -4.197 16.901 -9.359 311 HB VAL 116 HB VAL 116 -2.710 18.877 -7.635 312 HG11 VAL 116 HG11 VAL 116 -1.670 16.104 -8.297 313 HG12 VAL 116 HG12 VAL 116 -0.744 17.458 -7.584 314 HG13 VAL 116 HG13 VAL 116 -2.051 16.718 -6.673 315 HG21 VAL 116 HG21 VAL 116 -2.071 17.538 -10.288 316 HG22 VAL 116 HG22 VAL 116 -2.854 19.118 -10.156 317 HG23 VAL 116 HG23 VAL 116 -1.197 18.908 -9.548 318 H GLU 117 H GLU 117 -4.909 18.317 -6.130 319 HA GLU 117 HA GLU 117 -4.905 15.768 -4.728 320 HB2 GLU 117 HB2 GLU 117 -6.193 18.464 -4.099 321 HB3 GLU 117 HB3 GLU 117 -6.213 17.068 -3.018 322 HG2 GLU 117 HG2 GLU 117 -3.733 17.059 -2.956 323 HG3 GLU 117 HG3 GLU 117 -3.695 18.502 -3.967 324 H SER 118 H SER 118 -7.410 17.573 -6.519 325 HA SER 118 HA SER 118 -9.646 15.966 -5.626 326 HB2 SER 118 HB2 SER 118 -9.835 18.241 -6.646 327 HB3 SER 118 HB3 SER 118 -9.390 17.541 -8.215 328 HG SER 118 HG SER 118 -11.692 17.685 -7.876 329 H TRP 119 H TRP 119 -7.297 15.632 -8.252 330 HA TRP 119 HA TRP 119 -8.518 13.332 -9.514 331 HB2 TRP 119 HB2 TRP 119 -5.606 14.156 -9.565 332 HB3 TRP 119 HB3 TRP 119 -6.441 13.132 -10.710 333 HD1 TRP 119 HD1 TRP 119 -8.936 15.471 -10.849 334 HE1 TRP 119 HE1 TRP 119 -8.509 17.480 -12.387 335 HE3 TRP 119 HE3 TRP 119 -3.874 14.971 -11.412 336 HZ2 TRP 119 HZ2 TRP 119 -6.234 18.733 -13.659 337 HZ3 TRP 119 HZ3 TRP 119 -2.614 16.543 -12.863 338 HH2 TRP 119 HH2 TRP 119 -3.774 18.433 -13.958 339 H ALA 120 H ALA 120 -7.040 13.515 -6.406 340 HA ALA 120 HA ALA 120 -5.468 11.172 -6.630 341 HB1 ALA 120 HB1 ALA 120 -6.409 12.350 -4.017 342 HB2 ALA 120 HB2 ALA 120 -4.912 11.451 -4.384 343 HB3 ALA 120 HB3 ALA 120 -5.139 13.107 -5.005 344 H THR 121 H THR 121 -5.577 9.547 -5.174 345 HA THR 121 HA THR 121 -8.119 8.093 -4.454 346 HB THR 121 HB THR 121 -5.769 7.064 -6.065 347 HG1 THR 121 HG1 THR 121 -8.445 7.544 -6.946 348 HG21 THR 121 HG21 THR 121 -6.725 5.245 -4.799 349 HG22 THR 121 HG22 THR 121 -8.376 5.852 -5.091 350 HG23 THR 121 HG23 THR 121 -7.430 5.101 -6.415 351 H LEU 122 H LEU 122 -7.824 6.811 -2.674 352 HA LEU 122 HA LEU 122 -5.250 7.142 -1.189 353 HB2 LEU 122 HB2 LEU 122 -7.150 8.029 -0.048 354 HB3 LEU 122 HB3 LEU 122 -8.123 6.604 -0.388 355 HG LEU 122 HG LEU 122 -6.745 5.236 1.120 356 HD11 LEU 122 HD11 LEU 122 -4.547 6.357 0.972 357 HD12 LEU 122 HD12 LEU 122 -5.221 7.785 1.788 358 HD13 LEU 122 HD13 LEU 122 -5.095 6.220 2.635 359 HD21 LEU 122 HD21 LEU 122 -7.442 6.255 3.238 360 HD22 LEU 122 HD22 LEU 122 -7.671 7.827 2.429 361 HD23 LEU 122 HD23 LEU 122 -8.705 6.440 2.013 362 H LEU 123 H LEU 123 -3.945 5.491 -1.007 363 HA LEU 123 HA LEU 123 -4.870 2.687 -1.452 364 HB2 LEU 123 HB2 LEU 123 -2.271 4.064 -2.273 365 HB3 LEU 123 HB3 LEU 123 -2.645 2.349 -2.485 366 HG LEU 123 HG LEU 123 -4.110 4.710 -3.772 367 HD11 LEU 123 HD11 LEU 123 -1.879 4.358 -4.649 368 HD12 LEU 123 HD12 LEU 123 -2.162 2.620 -4.847 369 HD13 LEU 123 HD13 LEU 123 -3.062 3.776 -5.847 370 HD21 LEU 123 HD21 LEU 123 -5.210 2.982 -5.183 371 HD22 LEU 123 HD22 LEU 123 -4.451 1.695 -4.208 372 HD23 LEU 123 HD23 LEU 123 -5.653 2.777 -3.489 373 H GLY 124 H GLY 124 -4.678 1.438 0.156 374 HA2 GLY 124 HA2 GLY 124 -3.443 2.214 2.643 375 HA3 GLY 124 HA3 GLY 124 -4.251 0.682 2.296 376 H HIS 125 H HIS 125 -2.113 0.460 -0.016 377 HA HIS 125 HA HIS 125 0.321 -0.291 1.517 378 HB2 HIS 125 HB2 HIS 125 -1.091 -2.211 -0.348 379 HB3 HIS 125 HB3 HIS 125 0.427 -2.443 0.515 380 HD1 HIS 125 HD1 HIS 125 -3.170 -3.183 0.920 381 HD2 HIS 125 HD2 HIS 125 0.170 -2.382 3.372 382 HE1 HIS 125 HE1 HIS 125 -3.781 -4.028 3.285 383 HE2 HIS 125 HE2 HIS 125 -1.744 -3.533 4.771 384 H5' DC 1 H5' DC 1 -4.740 29.034 7.425 385 H5'' DC 1 H5'' DC 1 -3.336 29.818 6.705 386 H4' DC 1 H4' DC 1 -3.060 29.770 9.079 387 H3' DC 1 H3' DC 1 -1.200 28.640 7.320 388 H2' DC 1 H2' DC 1 -1.333 26.477 7.911 389 H2'' DC 1 H2'' DC 1 -0.365 26.898 9.309 390 H1' DC 1 H1' DC 1 -2.137 27.095 10.753 391 H41 DC 1 H41 DC 1 -4.941 21.411 8.822 392 H42 DC 1 H42 DC 1 -4.845 21.426 10.588 393 H5 DC 1 H5 DC 1 -4.109 23.306 7.463 394 H6 DC 1 H6 DC 1 -3.155 25.526 7.614 395 HO5' DC 1 H5T DC 1 -3.996 27.904 5.526 396 H5' DG 2 H5' DG 2 0.097 28.996 11.899 397 H5'' DG 2 H5'' DG 2 1.671 29.777 11.948 398 H4' DG 2 H4' DG 2 1.679 28.264 13.723 399 H3' DG 2 H3' DG 2 3.574 27.912 11.678 400 H2' DG 2 H2' DG 2 2.571 26.000 10.807 401 H2'' DG 2 H2'' DG 2 3.619 25.200 11.993 402 H1' DG 2 H1' DG 2 1.895 25.117 13.644 403 H8 DG 2 H8 DG 2 0.705 25.165 10.002 404 H1 DG 2 H1 DG 2 -1.327 20.120 13.457 405 H21 DG 2 H21 DG 2 0.483 21.630 15.957 406 H22 DG 2 H22 DG 2 -0.498 20.248 15.457 407 H5' DC 3 H5' DC 3 3.958 25.463 15.708 408 H5'' DC 3 H5'' DC 3 5.640 25.441 16.236 409 H4' DC 3 H4' DC 3 4.563 23.401 16.902 410 H3' DC 3 H3' DC 3 6.831 23.353 15.076 411 H2' DC 3 H2' DC 3 6.058 21.829 13.616 412 H2'' DC 3 H2'' DC 3 6.003 20.626 14.911 413 H1' DC 3 H1' DC 3 3.788 20.903 15.345 414 H41 DC 3 H41 DC 3 1.744 21.381 9.067 415 H42 DC 3 H42 DC 3 1.101 19.910 9.807 416 H5 DC 3 H5 DC 3 3.347 22.813 10.276 417 H6 DC 3 H6 DC 3 4.407 23.148 12.502 418 H5' DA 4 H5' DA 4 5.998 19.594 17.426 419 H5'' DA 4 H5'' DA 4 7.424 18.910 18.214 420 H4' DA 4 H4' DA 4 6.189 17.111 17.349 421 H3' DA 4 H3' DA 4 8.815 17.594 16.277 422 H2' DA 4 H2' DA 4 8.060 17.927 14.141 423 H2'' DA 4 H2'' DA 4 8.095 16.165 14.036 424 H1' DA 4 H1' DA 4 5.781 15.954 14.675 425 H8 DA 4 H8 DA 4 6.710 19.288 13.047 426 H61 DA 4 H61 DA 4 2.583 17.604 8.660 427 H62 DA 4 H62 DA 4 3.617 18.916 9.199 428 H2 DA 4 H2 DA 4 2.896 14.341 11.503 429 H5' DT 5 H5' DT 5 6.996 13.409 15.464 430 H5'' DT 5 H5'' DT 5 8.179 12.153 15.858 431 H4' DT 5 H4' DT 5 7.008 11.437 13.938 432 H3' DT 5 H3' DT 5 9.839 11.876 13.772 433 H2' DT 5 H2' DT 5 9.702 13.475 12.133 434 H2'' DT 5 H2'' DT 5 9.539 12.096 11.035 435 H1' DT 5 H1' DT 5 7.161 12.132 11.107 436 H3 DT 5 H3 DT 5 5.615 15.299 8.286 437 H71 DT 5 H71 DT 5 9.389 17.961 9.748 438 H72 DT 5 H72 DT 5 8.130 18.586 10.809 439 H73 DT 5 H73 DT 5 9.424 17.570 11.480 440 H6 DT 5 H6 DT 5 8.872 15.392 11.859 441 H5' DA 6 H5' DA 6 7.360 9.070 10.968 442 H5'' DA 6 H5'' DA 6 8.268 7.574 10.768 443 H4' DA 6 H4' DA 6 6.889 7.849 8.882 444 H3' DA 6 H3' DA 6 9.648 7.534 8.559 445 H2' DA 6 H2' DA 6 10.130 9.701 7.994 446 H2'' DA 6 H2'' DA 6 9.734 9.168 6.367 447 H1' DA 6 H1' DA 6 7.553 10.008 6.430 448 H8 DA 6 H8 DA 6 9.997 11.618 8.913 449 H61 DA 6 H61 DA 6 8.312 16.923 6.042 450 H62 DA 6 H62 DA 6 9.466 16.255 7.193 451 H2 DA 6 H2 DA 6 5.907 13.712 4.416 452 H5' DT 7 H5' DT 7 6.855 7.840 5.119 453 H5'' DT 7 H5'' DT 7 7.061 6.679 3.814 454 H4' DT 7 H4' DT 7 6.261 8.822 2.985 455 H3' DT 7 H3' DT 7 8.557 7.529 1.914 456 H2' DT 7 H2' DT 7 10.019 9.213 2.643 457 H2'' DT 7 H2'' DT 7 9.538 9.967 1.106 458 H1' DT 7 H1' DT 7 7.692 11.133 2.139 459 H3 DT 7 H3 DT 7 9.832 14.920 3.325 460 H71 DT 7 H71 DT 7 12.114 10.783 6.046 461 H72 DT 7 H72 DT 7 13.128 12.121 5.457 462 H73 DT 7 H73 DT 7 12.020 12.388 6.808 463 H6 DT 7 H6 DT 7 10.396 10.297 4.544 464 H5' DA 8 H5' DA 8 7.374 10.806 -1.406 465 H5'' DA 8 H5'' DA 8 7.471 9.900 -2.914 466 H4' DA 8 H4' DA 8 8.701 11.832 -3.334 467 H3' DA 8 H3' DA 8 10.376 9.438 -3.006 468 H2' DA 8 H2' DA 8 11.801 10.413 -1.545 469 H2'' DA 8 H2'' DA 8 12.394 11.360 -2.936 470 H1' DA 8 H1' DA 8 10.997 13.179 -2.497 471 H8 DA 8 H8 DA 8 11.541 11.024 0.753 472 H61 DA 8 H61 DA 8 13.390 16.607 3.004 473 H62 DA 8 H62 DA 8 13.121 14.953 3.543 474 H2 DA 8 H2 DA 8 12.271 17.153 -1.030 475 H5' DT 9 H5' DT 9 11.022 12.864 -6.143 476 H5'' DT 9 H5'' DT 9 11.759 12.160 -7.591 477 H4' DT 9 H4' DT 9 12.379 14.475 -7.459 478 H3' DT 9 H3' DT 9 14.323 12.412 -7.505 479 H2' DT 9 H2' DT 9 15.261 12.784 -5.502 480 H2'' DT 9 H2'' DT 9 16.086 14.145 -6.240 481 H1' DT 9 H1' DT 9 14.552 15.731 -5.539 482 H3 DT 9 H3 DT 9 15.391 16.430 -1.153 483 H71 DT 9 H71 DT 9 14.299 11.804 -0.319 484 H72 DT 9 H72 DT 9 14.620 11.075 -1.910 485 H73 DT 9 H73 DT 9 15.960 11.633 -0.888 486 H6 DT 9 H6 DT 9 14.223 12.500 -3.702 487 H5' DG 10 H5' DG 10 15.189 16.888 -8.081 488 H5'' DG 10 H5'' DG 10 16.105 17.095 -9.570 489 H4' DG 10 H4' DG 10 16.608 18.934 -8.176 490 H3' DG 10 H3' DG 10 18.642 17.292 -9.149 491 H2' DG 10 H2' DG 10 19.030 16.185 -7.136 492 H2'' DG 10 H2'' DG 10 20.172 17.506 -6.892 493 H1' DG 10 H1' DG 10 18.632 18.799 -5.637 494 H8 DG 10 H8 DG 10 17.968 15.035 -5.611 495 H1 DG 10 H1 DG 10 19.119 17.618 0.174 496 H21 DG 10 H21 DG 10 19.523 20.498 -1.645 497 H22 DG 10 H22 DG 10 19.632 19.692 -0.076 498 H5' DC 11 H5' DC 11 19.824 21.293 -6.864 499 H5'' DC 11 H5'' DC 11 20.915 22.152 -7.949 500 H4' DC 11 H4' DC 11 21.397 22.830 -5.733 501 H3' DC 11 H3' DC 11 23.385 21.791 -7.389 502 H2' DC 11 H2' DC 11 23.657 19.752 -6.348 503 H2'' DC 11 H2'' DC 11 24.730 20.641 -5.270 504 H1' DC 11 H1' DC 11 23.124 20.973 -3.638 505 H41 DC 11 H41 DC 11 21.225 14.651 -3.286 506 H42 DC 11 H42 DC 11 21.513 15.268 -1.652 507 H5 DC 11 H5 DC 11 21.597 16.023 -5.246 508 H6 DC 11 H6 DC 11 22.163 18.329 -5.980 509 H5' DG 12 H5' DG 12 25.268 23.218 -3.403 510 H5'' DG 12 H5'' DG 12 26.868 23.941 -3.603 511 H4' DG 12 H4' DG 12 26.991 22.322 -1.854 512 H3' DG 12 H3' DG 12 28.328 21.443 -4.398 513 HO3' DG 12 H3T DG 12 30.187 21.783 -3.062 514 H2' DG 12 H2' DG 12 28.399 19.288 -3.762 515 H2'' DG 12 H2'' DG 12 28.951 19.699 -2.118 516 H1' DG 12 H1' DG 12 26.837 19.730 -1.249 517 H8 DG 12 H8 DG 12 26.174 18.677 -4.885 518 H1 DG 12 H1 DG 12 24.687 14.337 -0.348 519 H21 DG 12 H21 DG 12 26.016 16.732 1.748 520 H22 DG 12 H22 DG 12 25.400 15.087 1.600 521 H5' DC 13 H5' DC 13 24.965 7.672 4.723 522 H5'' DC 13 H5'' DC 13 24.286 7.771 6.347 523 H4' DC 13 H4' DC 13 25.705 9.666 5.960 524 H3' DC 13 H3' DC 13 23.062 9.884 6.784 525 H2' DC 13 H2' DC 13 22.205 10.751 4.806 526 H2'' DC 13 H2'' DC 13 22.715 12.299 5.512 527 H1' DC 13 H1' DC 13 24.796 12.278 4.436 528 H41 DC 13 H41 DC 13 22.178 11.709 -1.609 529 H42 DC 13 H42 DC 13 23.386 13.000 -1.637 530 H5 DC 13 H5 DC 13 21.659 10.458 0.431 531 H6 DC 13 H6 DC 13 22.306 10.166 2.755 532 HO5' DC 13 H5T DC 13 22.699 7.113 4.745 533 H5' DG 14 H5' DG 14 25.725 14.076 7.052 534 H5'' DG 14 H5'' DG 14 25.423 14.509 8.730 535 H4' DG 14 H4' DG 14 25.763 16.532 7.656 536 H3' DG 14 H3' DG 14 23.309 16.123 8.886 537 H2' DG 14 H2' DG 14 22.067 15.757 6.937 538 H2'' DG 14 H2'' DG 14 21.896 17.496 6.975 539 H1' DG 14 H1' DG 14 23.593 17.873 5.438 540 H8 DG 14 H8 DG 14 22.110 14.358 5.321 541 H1 DG 14 H1 DG 14 22.379 17.403 -0.350 542 H21 DG 14 H21 DG 14 23.851 19.884 1.522 543 H22 DG 14 H22 DG 14 23.256 19.365 -0.059 544 H5' DC 15 H5' DC 15 23.866 20.179 6.863 545 H5'' DC 15 H5'' DC 15 23.174 21.586 7.671 546 H4' DC 15 H4' DC 15 22.728 21.642 5.284 547 H3' DC 15 H3' DC 15 20.384 21.340 7.113 548 H2' DC 15 H2' DC 15 19.086 20.390 5.549 549 H2'' DC 15 H2'' DC 15 19.429 21.678 4.375 550 H1' DC 15 H1' DC 15 21.173 20.604 3.400 551 H41 DC 15 H41 DC 15 18.442 14.610 3.098 552 H42 DC 15 H42 DC 15 18.486 15.345 1.486 553 H5 DC 15 H5 DC 15 19.102 15.901 5.096 554 H6 DC 15 H6 DC 15 20.101 18.058 5.808 555 H5' DA 16 H5' DA 16 20.516 23.794 3.443 556 H5'' DA 16 H5'' DA 16 19.949 25.453 3.622 557 H4' DA 16 H4' DA 16 19.400 24.766 1.445 558 H3' DA 16 H3' DA 16 17.338 25.518 3.241 559 H2' DA 16 H2' DA 16 16.477 23.380 3.428 560 H2'' DA 16 H2'' DA 16 15.520 23.875 2.028 561 H1' DA 16 H1' DA 16 17.075 22.930 0.464 562 H8 DA 16 H8 DA 16 17.161 21.356 3.937 563 H61 DA 16 H61 DA 16 15.685 16.074 0.910 564 H62 DA 16 H62 DA 16 16.190 16.698 2.472 565 H2 DA 16 H2 DA 16 15.479 19.319 -1.934 566 H5' DT 17 H5' DT 17 15.900 24.900 -1.088 567 H5'' DT 17 H5'' DT 17 14.823 26.191 -1.631 568 H4' DT 17 H4' DT 17 13.967 24.111 -2.413 569 H3' DT 17 H3' DT 17 12.382 25.718 -0.607 570 H2' DT 17 H2' DT 17 12.099 24.048 0.921 571 H2'' DT 17 H2'' DT 17 10.872 23.413 -0.186 572 H1' DT 17 H1' DT 17 12.441 22.021 -1.334 573 H3 DT 17 H3 DT 17 12.882 18.221 1.077 574 H71 DT 17 H71 DT 17 14.517 20.900 4.728 575 H72 DT 17 H72 DT 17 13.680 22.444 4.415 576 H73 DT 17 H73 DT 17 12.775 21.029 5.002 577 H6 DT 17 H6 DT 17 13.326 22.877 2.203 578 H5' DA 18 H5' DA 18 10.412 22.464 -2.896 579 H5'' DA 18 H5'' DA 18 9.061 23.057 -3.868 580 H4' DA 18 H4' DA 18 8.371 20.957 -3.197 581 H3' DA 18 H3' DA 18 6.966 23.117 -1.812 582 H2' DA 18 H2' DA 18 7.434 22.312 0.245 583 H2'' DA 18 H2'' DA 18 6.137 21.145 -0.098 584 H1' DA 18 H1' DA 18 7.650 19.509 -0.857 585 H8 DA 18 H8 DA 18 9.004 21.921 1.811 586 H61 DA 18 H61 DA 18 10.879 16.516 4.481 587 H62 DA 18 H62 DA 18 10.767 18.245 4.827 588 H2 DA 18 H2 DA 18 9.491 15.639 0.556 589 H5' DT 19 H5' DT 19 5.696 18.839 -2.342 590 H5'' DT 19 H5'' DT 19 4.143 18.803 -3.182 591 H4' DT 19 H4' DT 19 3.903 17.004 -1.706 592 H3' DT 19 H3' DT 19 2.338 19.308 -1.018 593 H2' DT 19 H2' DT 19 3.666 19.876 0.774 594 H2'' DT 19 H2'' DT 19 2.521 18.793 1.616 595 H1' DT 19 H1' DT 19 3.920 16.845 1.182 596 H3 DT 19 H3 DT 19 6.909 16.453 4.483 597 H71 DT 19 H71 DT 19 6.396 21.733 3.210 598 H72 DT 19 H72 DT 19 6.062 21.261 4.895 599 H73 DT 19 H73 DT 19 7.707 21.185 4.279 600 H6 DT 19 H6 DT 19 5.359 20.164 1.846 601 H5' DA 20 H5' DA 20 -1.363 15.481 -0.050 602 H5'' DA 20 H5'' DA 20 -0.041 16.222 0.829 603 H4' DA 20 H4' DA 20 0.025 13.282 0.075 604 H3' DA 20 H3' DA 20 -1.904 14.461 1.689 605 H2' DA 20 H2' DA 20 -0.472 15.477 3.164 606 H2'' DA 20 H2'' DA 20 -0.612 13.936 4.026 607 H1' DA 20 H1' DA 20 1.402 13.087 3.192 608 H8 DA 20 H8 DA 20 1.650 16.865 2.331 609 H61 DA 20 H61 DA 20 5.226 17.317 7.395 610 H62 DA 20 H62 DA 20 4.471 18.230 6.093 611 H2 DA 20 H2 DA 20 3.927 13.190 7.110 612 H5' DT 21 H5' DT 21 -0.249 11.059 4.084 613 H5'' DT 21 H5'' DT 21 -1.559 9.874 4.103 614 H4' DT 21 H4' DT 21 -0.563 9.607 6.185 615 H3' DT 21 H3' DT 21 -3.176 10.508 6.185 616 H2' DT 21 H2' DT 21 -2.773 12.728 6.710 617 H2'' DT 21 H2'' DT 21 -2.833 12.092 8.371 618 H1' DT 21 H1' DT 21 -0.552 11.858 8.556 619 H3 DT 21 H3 DT 21 1.948 15.603 8.903 620 H71 DT 21 H71 DT 21 -0.202 17.233 4.889 621 H72 DT 21 H72 DT 21 -1.799 16.434 5.005 622 H73 DT 21 H73 DT 21 -1.352 17.736 6.129 623 H6 DT 21 H6 DT 21 -1.649 14.324 5.927 624 H5' DG 22 H5' DG 22 -1.208 9.662 10.305 625 H5'' DG 22 H5'' DG 22 -2.329 8.817 11.393 626 H4' DG 22 H4' DG 22 -1.151 10.403 12.699 627 H3' DG 22 H3' DG 22 -3.994 10.723 12.414 628 H2' DG 22 H2' DG 22 -3.784 12.780 11.353 629 H2'' DG 22 H2'' DG 22 -3.688 13.387 13.027 630 H1' DG 22 H1' DG 22 -1.283 13.215 13.039 631 H8 DG 22 H8 DG 22 -2.898 14.026 9.652 632 H1 DG 22 H1 DG 22 1.120 18.482 12.024 633 H21 DG 22 H21 DG 22 1.359 16.246 14.625 634 H22 DG 22 H22 DG 22 1.797 17.833 13.988 635 H5' DC 23 H5' DC 23 -1.372 12.422 16.000 636 H5'' DC 23 H5'' DC 23 -2.241 11.914 17.451 637 H4' DC 23 H4' DC 23 -0.918 13.777 18.037 638 H3' DC 23 H3' DC 23 -3.685 13.810 18.413 639 H2' DC 23 H2' DC 23 -4.232 15.334 16.780 640 H2'' DC 23 H2'' DC 23 -3.820 16.542 17.980 641 H1' DC 23 H1' DC 23 -1.665 16.876 17.187 642 H41 DC 23 H41 DC 23 -3.769 17.789 10.982 643 H42 DC 23 H42 DC 23 -2.758 19.157 11.462 644 H5 DC 23 H5 DC 23 -4.226 15.937 12.502 645 H6 DC 23 H6 DC 23 -3.687 15.050 14.757 646 H5' DG 24 H5' DG 24 -1.887 17.630 20.285 647 H5'' DG 24 H5'' DG 24 -2.707 18.120 21.772 648 H4' DG 24 H4' DG 24 -2.578 20.019 20.361 649 H3' DG 24 H3' DG 24 -5.356 18.847 20.436 650 HO3' DG 24 H3T DG 24 -5.697 20.760 21.708 651 H2' DG 24 H2' DG 24 -6.024 20.077 18.682 652 H2'' DG 24 H2'' DG 24 -5.209 21.549 19.267 653 H1' DG 24 H1' DG 24 -3.284 21.134 18.111 654 H8 DG 24 H8 DG 24 -5.494 18.213 16.950 655 H1 DG 24 H1 DG 24 -4.037 22.675 12.513 656 H21 DG 24 H21 DG 24 -2.380 24.117 15.179 657 H22 DG 24 H22 DG 24 -2.878 24.277 13.493 Start of MODEL 5 1 H ALA 79 H1 ALA 79 -1.807 5.050 8.670 2 HA ALA 79 HA ALA 79 1.046 5.465 9.314 3 HB1 ALA 79 HB1 ALA 79 -0.433 3.585 7.407 4 HB2 ALA 79 HB2 ALA 79 1.337 3.665 7.606 5 HB3 ALA 79 HB3 ALA 79 0.319 3.118 8.947 6 H ARG 80 H ARG 80 2.394 5.968 7.548 7 HA ARG 80 HA ARG 80 1.741 8.233 5.920 8 HB2 ARG 80 HB2 ARG 80 4.072 6.298 5.867 9 HB3 ARG 80 HB3 ARG 80 3.990 7.729 4.843 10 HG2 ARG 80 HG2 ARG 80 3.638 7.938 7.844 11 HG3 ARG 80 HG3 ARG 80 5.249 7.902 7.111 12 HD2 ARG 80 HD2 ARG 80 4.894 9.945 5.944 13 HD3 ARG 80 HD3 ARG 80 3.156 9.909 6.219 14 HE ARG 80 HE ARG 80 5.237 10.828 8.055 15 HH11 ARG 80 HH11 ARG 80 1.875 9.679 8.106 16 HH12 ARG 80 HH12 ARG 80 1.546 10.624 9.531 17 HH21 ARG 80 HH22 ARG 80 4.550 12.179 9.644 18 HH22 ARG 80 HH21 ARG 80 2.869 12.208 10.085 19 H LYS 81 H LYS 81 -0.323 7.106 5.173 20 HA LYS 81 HA LYS 81 -0.659 5.259 3.161 21 HB2 LYS 81 HB2 LYS 81 -2.037 7.881 3.838 22 HB3 LYS 81 HB3 LYS 81 -2.663 6.810 2.595 23 HG2 LYS 81 HG2 LYS 81 -3.585 5.395 4.029 24 HG3 LYS 81 HG3 LYS 81 -2.201 5.359 5.119 25 HD2 LYS 81 HD2 LYS 81 -4.454 6.148 6.000 26 HD3 LYS 81 HD3 LYS 81 -3.034 7.137 6.415 27 HE2 LYS 81 HE2 LYS 81 -3.624 8.766 4.709 28 HE3 LYS 81 HE3 LYS 81 -4.942 7.725 4.140 29 HZ1 LYS 81 HZ1 LYS 81 -4.816 8.964 6.870 30 HZ2 LYS 81 HZ2 LYS 81 -5.738 9.528 5.635 31 HZ3 LYS 81 HZ3 LYS 81 -6.051 8.059 6.297 32 H VAL 82 H VAL 82 -0.433 5.127 1.205 33 HA VAL 82 HA VAL 82 0.856 7.085 -0.559 34 HB VAL 82 HB VAL 82 -0.490 4.411 -1.115 35 HG11 VAL 82 HG11 VAL 82 -0.554 5.588 -3.174 36 HG12 VAL 82 HG12 VAL 82 1.102 6.231 -2.967 37 HG13 VAL 82 HG13 VAL 82 0.821 4.500 -3.281 38 HG21 VAL 82 HG21 VAL 82 2.458 5.070 -0.965 39 HG22 VAL 82 HG22 VAL 82 1.502 4.257 0.318 40 HG23 VAL 82 HG23 VAL 82 1.718 3.484 -1.257 41 H LYS 83 H LYS 83 -0.133 8.530 -1.861 42 HA LYS 83 HA LYS 83 -3.021 8.203 -2.497 43 HB2 LYS 83 HB2 LYS 83 -1.325 10.647 -2.042 44 HB3 LYS 83 HB3 LYS 83 -2.498 10.685 -3.377 45 HG2 LYS 83 HG2 LYS 83 -4.334 10.106 -1.931 46 HG3 LYS 83 HG3 LYS 83 -3.249 9.971 -0.524 47 HD2 LYS 83 HD2 LYS 83 -2.737 12.324 -0.583 48 HD3 LYS 83 HD3 LYS 83 -3.414 12.495 -2.205 49 HE2 LYS 83 HE2 LYS 83 -5.007 13.485 -0.773 50 HE3 LYS 83 HE3 LYS 83 -5.684 11.959 -1.346 51 HZ1 LYS 83 HZ1 LYS 83 -4.496 12.474 1.361 52 HZ2 LYS 83 HZ2 LYS 83 -6.072 12.178 1.034 53 HZ3 LYS 83 HZ3 LYS 83 -4.945 10.993 0.863 54 H GLN 84 H GLN 84 -3.445 7.672 -4.500 55 HA GLN 84 HA GLN 84 -1.298 7.657 -6.522 56 HB2 GLN 84 HB2 GLN 84 -2.298 5.674 -6.991 57 HB3 GLN 84 HB3 GLN 84 -3.780 6.070 -6.109 58 HG2 GLN 84 HG2 GLN 84 -4.580 7.337 -8.026 59 HG3 GLN 84 HG3 GLN 84 -3.075 6.974 -8.927 60 HE21 GLN 84 HE22 GLN 84 -2.623 4.489 -9.202 61 HE22 GLN 84 HE21 GLN 84 -4.052 3.500 -9.459 62 H TYR 85 H TYR 85 -1.547 9.003 -8.247 63 HA TYR 85 HA TYR 85 -3.856 10.914 -8.274 64 HB2 TYR 85 HB2 TYR 85 -0.952 11.633 -8.857 65 HB3 TYR 85 HB3 TYR 85 -2.332 12.708 -8.943 66 HD1 TYR 85 HD2 TYR 85 -3.493 13.467 -6.915 67 HD2 TYR 85 HD1 TYR 85 0.139 11.171 -6.725 68 HE1 TYR 85 HE2 TYR 85 -3.112 14.292 -4.581 69 HE2 TYR 85 HE1 TYR 85 0.530 11.958 -4.405 70 HH TYR 85 HH TYR 85 -0.209 13.401 -2.712 71 H LYS 86 H LYS 86 -4.722 11.187 -10.326 72 HA LYS 86 HA LYS 86 -3.277 10.021 -12.677 73 HB2 LYS 86 HB2 LYS 86 -4.894 8.377 -11.977 74 HB3 LYS 86 HB3 LYS 86 -6.173 9.594 -11.828 75 HG2 LYS 86 HG2 LYS 86 -6.285 9.933 -14.215 76 HG3 LYS 86 HG3 LYS 86 -4.801 9.008 -14.485 77 HD2 LYS 86 HD2 LYS 86 -5.936 6.961 -13.592 78 HD3 LYS 86 HD3 LYS 86 -7.444 7.901 -13.441 79 HE2 LYS 86 HE2 LYS 86 -7.329 8.395 -15.905 80 HE3 LYS 86 HE3 LYS 86 -5.866 7.399 -16.015 81 HZ1 LYS 86 HZ1 LYS 86 -7.849 6.124 -16.637 82 HZ2 LYS 86 HZ2 LYS 86 -7.210 5.471 -15.287 83 HZ3 LYS 86 HZ3 LYS 86 -8.558 6.396 -15.199 84 H ASN 87 H ASN 87 -3.197 11.325 -14.393 85 HA ASN 87 HA ASN 87 -4.423 13.994 -14.079 86 HB2 ASN 87 HB2 ASN 87 -2.046 13.730 -14.356 87 HB3 ASN 87 HB3 ASN 87 -2.260 12.982 -15.935 88 HD21 ASN 87 HD22 ASN 87 -0.812 15.462 -15.188 89 HD22 ASN 87 HD21 ASN 87 -1.643 16.753 -16.056 90 HA PRO 88 HA PRO 88 -7.486 12.608 -17.164 91 HB2 PRO 88 HB2 PRO 88 -9.142 14.819 -17.060 92 HB3 PRO 88 HB3 PRO 88 -9.156 13.474 -15.881 93 HG2 PRO 88 HG2 PRO 88 -7.763 16.152 -15.641 94 HG3 PRO 88 HG3 PRO 88 -8.755 15.297 -14.407 95 HD2 PRO 88 HD2 PRO 88 -6.055 15.209 -14.392 96 HD3 PRO 88 HD3 PRO 88 -7.033 13.774 -13.939 97 H HIS 89 H HIS 89 -5.353 15.356 -17.375 98 HA HIS 89 HA HIS 89 -6.124 16.022 -20.153 99 HB2 HIS 89 HB2 HIS 89 -3.887 17.144 -18.424 100 HB3 HIS 89 HB3 HIS 89 -4.461 17.794 -19.948 101 HD1 HIS 89 HD1 HIS 89 -7.062 18.817 -19.882 102 HD2 HIS 89 HD2 HIS 89 -5.154 17.896 -16.228 103 HE1 HIS 89 HE1 HIS 89 -8.412 20.010 -18.044 104 HE2 HIS 89 HE2 HIS 89 -7.239 19.462 -15.821 105 H THR 90 H THR 90 -3.787 13.938 -18.617 106 HA THR 90 HA THR 90 -2.377 13.558 -21.248 107 HB THR 90 HB THR 90 -0.338 13.151 -20.038 108 HG1 THR 90 HG1 THR 90 -0.337 13.326 -17.759 109 HG21 THR 90 HG21 THR 90 -1.640 15.577 -18.738 110 HG22 THR 90 HG22 THR 90 0.101 15.270 -18.941 111 HG23 THR 90 HG23 THR 90 -0.919 15.579 -20.365 112 H GLY 91 H GLY 91 -3.951 11.884 -18.587 113 HA2 GLY 91 HA2 GLY 91 -4.571 9.665 -18.426 114 HA3 GLY 91 HA3 GLY 91 -3.706 9.282 -19.916 115 H GLU 92 H GLU 92 -1.676 10.999 -17.660 116 HA GLU 92 HA GLU 92 -0.148 8.602 -17.056 117 HB2 GLU 92 HB2 GLU 92 0.248 11.558 -16.593 118 HB3 GLU 92 HB3 GLU 92 1.222 10.372 -15.726 119 HG2 GLU 92 HG2 GLU 92 1.001 10.219 -18.712 120 HG3 GLU 92 HG3 GLU 92 2.128 11.344 -17.915 121 H VAL 93 H VAL 93 0.324 8.010 -15.031 122 HA VAL 93 HA VAL 93 -1.342 8.861 -12.717 123 HB VAL 93 HB VAL 93 -0.608 6.049 -13.443 124 HG11 VAL 93 HG11 VAL 93 -1.039 6.234 -11.003 125 HG12 VAL 93 HG12 VAL 93 -2.548 7.118 -11.315 126 HG13 VAL 93 HG13 VAL 93 -2.391 5.412 -11.760 127 HG21 VAL 93 HG21 VAL 93 -3.076 5.745 -13.971 128 HG22 VAL 93 HG22 VAL 93 -3.246 7.516 -13.844 129 HG23 VAL 93 HG23 VAL 93 -2.221 6.801 -15.097 130 H ILE 94 H ILE 94 -0.445 8.464 -10.745 131 HA ILE 94 HA ILE 94 2.368 7.676 -10.388 132 HB ILE 94 HB ILE 94 1.865 9.933 -8.667 133 HG12 ILE 94 HG12 ILE 94 1.859 10.835 -11.569 134 HG13 ILE 94 HG13 ILE 94 0.448 10.841 -10.502 135 HG21 ILE 94 HG21 ILE 94 3.978 9.690 -10.819 136 HG22 ILE 94 HG22 ILE 94 4.054 10.616 -9.296 137 HG23 ILE 94 HG23 ILE 94 4.059 8.867 -9.240 138 HD11 ILE 94 HD11 ILE 94 2.989 12.432 -10.101 139 HD12 ILE 94 HD12 ILE 94 1.368 13.045 -10.467 140 HD13 ILE 94 HD13 ILE 94 1.695 12.269 -8.894 141 H GLU 95 H GLU 95 2.864 7.565 -8.092 142 HA GLU 95 HA GLU 95 0.713 7.349 -6.094 143 HB2 GLU 95 HB2 GLU 95 2.481 5.104 -7.078 144 HB3 GLU 95 HB3 GLU 95 1.921 5.129 -5.384 145 HG2 GLU 95 HG2 GLU 95 -0.381 5.115 -6.050 146 HG3 GLU 95 HG3 GLU 95 0.051 5.247 -7.764 147 H THR 96 H THR 96 1.445 8.509 -4.403 148 HA THR 96 HA THR 96 4.264 8.244 -3.500 149 HB THR 96 HB THR 96 4.972 10.313 -3.884 150 HG1 THR 96 HG1 THR 96 3.780 12.160 -3.520 151 HG21 THR 96 HG21 THR 96 2.535 10.676 -5.687 152 HG22 THR 96 HG22 THR 96 4.042 11.618 -5.749 153 HG23 THR 96 HG23 THR 96 4.070 9.914 -6.189 154 H LYS 97 H LYS 97 4.563 8.780 -1.250 155 HA LYS 97 HA LYS 97 2.033 8.848 0.340 156 HB2 LYS 97 HB2 LYS 97 4.878 8.644 1.284 157 HB3 LYS 97 HB3 LYS 97 3.440 8.299 2.231 158 HG2 LYS 97 HG2 LYS 97 2.978 6.290 0.979 159 HG3 LYS 97 HG3 LYS 97 4.204 6.667 -0.230 160 HD2 LYS 97 HD2 LYS 97 5.915 6.586 1.728 161 HD3 LYS 97 HD3 LYS 97 4.633 5.800 2.639 162 HE2 LYS 97 HE2 LYS 97 5.996 4.081 1.724 163 HE3 LYS 97 HE3 LYS 97 4.496 4.063 0.787 164 HZ1 LYS 97 HZ1 LYS 97 7.039 5.400 -0.085 165 HZ2 LYS 97 HZ2 LYS 97 6.520 3.938 -0.628 166 HZ3 LYS 97 HZ3 LYS 97 5.686 5.310 -0.974 167 H GLY 98 H GLY 98 3.568 11.164 -1.163 168 HA2 GLY 98 HA2 GLY 98 2.900 13.494 -0.452 169 HA3 GLY 98 HA3 GLY 98 3.768 13.151 1.047 170 H GLY 99 H GLY 99 4.884 15.088 0.435 171 HA2 GLY 99 HA2 GLY 99 6.881 16.029 0.117 172 HA3 GLY 99 HA3 GLY 99 7.499 14.467 -0.382 173 H ASN 100 H ASN 100 8.577 16.647 -1.315 174 HA ASN 100 HA ASN 100 7.970 17.569 -3.923 175 HB2 ASN 100 HB2 ASN 100 9.618 18.683 -2.621 176 HB3 ASN 100 HB3 ASN 100 10.392 17.188 -2.163 177 HD21 ASN 100 HD22 ASN 100 12.253 18.562 -2.595 178 HD22 ASN 100 HD21 ASN 100 12.998 18.183 -4.131 179 H HIS 101 H HIS 101 7.240 16.048 -5.342 180 HA HIS 101 HA HIS 101 9.142 13.928 -6.237 181 HB2 HIS 101 HB2 HIS 101 7.221 13.045 -4.834 182 HB3 HIS 101 HB3 HIS 101 6.108 13.634 -6.062 183 HD1 HIS 101 HD1 HIS 101 9.022 11.039 -5.670 184 HD2 HIS 101 HD2 HIS 101 5.746 12.045 -8.170 185 HE1 HIS 101 HE1 HIS 101 8.778 9.130 -7.353 186 HE2 HIS 101 HE2 HIS 101 6.807 9.735 -8.885 187 H LYS 102 H LYS 102 9.607 14.021 -8.377 188 HA LYS 102 HA LYS 102 9.301 16.315 -9.817 189 HB2 LYS 102 HB2 LYS 102 10.893 14.370 -10.217 190 HB3 LYS 102 HB3 LYS 102 9.624 13.625 -11.169 191 HG2 LYS 102 HG2 LYS 102 10.937 14.773 -12.758 192 HG3 LYS 102 HG3 LYS 102 9.525 15.794 -12.528 193 HD2 LYS 102 HD2 LYS 102 11.522 17.163 -12.682 194 HD3 LYS 102 HD3 LYS 102 10.795 17.331 -11.101 195 HE2 LYS 102 HE2 LYS 102 13.177 17.236 -10.818 196 HE3 LYS 102 HE3 LYS 102 12.504 15.756 -10.150 197 HZ1 LYS 102 HZ1 LYS 102 14.443 15.279 -11.483 198 HZ2 LYS 102 HZ2 LYS 102 13.166 14.624 -12.261 199 HZ3 LYS 102 HZ3 LYS 102 13.834 16.022 -12.812 200 H THR 103 H THR 103 7.415 13.494 -11.060 201 HA THR 103 HA THR 103 5.937 15.045 -12.876 202 HB THR 103 HB THR 103 4.943 12.501 -11.547 203 HG1 THR 103 HG1 THR 103 6.017 11.514 -13.312 204 HG21 THR 103 HG21 THR 103 3.878 12.253 -13.896 205 HG22 THR 103 HG22 THR 103 3.193 13.494 -12.844 206 HG23 THR 103 HG23 THR 103 4.312 13.974 -14.130 207 H LEU 104 H LEU 104 5.073 14.255 -9.518 208 HA LEU 104 HA LEU 104 2.456 15.371 -9.505 209 HB2 LEU 104 HB2 LEU 104 3.417 13.799 -7.822 210 HB3 LEU 104 HB3 LEU 104 4.524 15.059 -7.276 211 HG LEU 104 HG LEU 104 2.658 16.386 -6.416 212 HD11 LEU 104 HD11 LEU 104 0.900 14.076 -7.371 213 HD12 LEU 104 HD12 LEU 104 0.369 15.401 -6.321 214 HD13 LEU 104 HD13 LEU 104 0.864 15.741 -7.986 215 HD21 LEU 104 HD21 LEU 104 2.511 13.477 -5.522 216 HD22 LEU 104 HD22 LEU 104 3.713 14.678 -4.971 217 HD23 LEU 104 HD23 LEU 104 2.000 14.890 -4.588 218 H LYS 105 H LYS 105 5.654 16.875 -8.990 219 HA LYS 105 HA LYS 105 4.572 19.507 -8.326 220 HB2 LYS 105 HB2 LYS 105 7.329 18.504 -9.142 221 HB3 LYS 105 HB3 LYS 105 7.008 20.205 -8.897 222 HG2 LYS 105 HG2 LYS 105 6.697 18.022 -6.787 223 HG3 LYS 105 HG3 LYS 105 8.028 19.163 -6.922 224 HD2 LYS 105 HD2 LYS 105 5.153 19.769 -6.140 225 HD3 LYS 105 HD3 LYS 105 6.595 19.904 -5.151 226 HE2 LYS 105 HE2 LYS 105 7.448 21.720 -6.694 227 HE3 LYS 105 HE3 LYS 105 5.920 21.625 -7.581 228 HZ1 LYS 105 HZ1 LYS 105 6.255 22.435 -4.733 229 HZ2 LYS 105 HZ2 LYS 105 5.721 23.384 -5.961 230 HZ3 LYS 105 HZ3 LYS 105 4.800 22.137 -5.373 231 H GLU 106 H GLU 106 5.381 17.930 -11.425 232 HA GLU 106 HA GLU 106 5.253 20.401 -12.906 233 HB2 GLU 106 HB2 GLU 106 4.547 17.663 -13.986 234 HB3 GLU 106 HB3 GLU 106 5.105 19.097 -14.886 235 HG2 GLU 106 HG2 GLU 106 7.264 18.845 -13.462 236 HG3 GLU 106 HG3 GLU 106 6.567 17.265 -13.043 237 H TRP 107 H TRP 107 2.950 17.825 -12.175 238 HA TRP 107 HA TRP 107 0.729 18.947 -13.565 239 HB2 TRP 107 HB2 TRP 107 0.702 17.266 -11.038 240 HB3 TRP 107 HB3 TRP 107 -0.697 17.622 -12.057 241 HD1 TRP 107 HD1 TRP 107 2.084 16.851 -14.362 242 HE1 TRP 107 HE1 TRP 107 1.959 14.416 -15.149 243 HE3 TRP 107 HE3 TRP 107 -1.381 15.072 -11.027 244 HZ2 TRP 107 HZ2 TRP 107 0.783 11.974 -14.265 245 HZ3 TRP 107 HZ3 TRP 107 -2.063 12.687 -11.121 246 HH2 TRP 107 HH2 TRP 107 -0.946 11.120 -12.685 247 H LYS 108 H LYS 108 1.841 19.648 -10.244 248 HA LYS 108 HA LYS 108 -0.314 21.494 -9.613 249 HB2 LYS 108 HB2 LYS 108 2.546 21.305 -8.565 250 HB3 LYS 108 HB3 LYS 108 1.331 22.431 -7.945 251 HG2 LYS 108 HG2 LYS 108 -0.171 20.493 -7.438 252 HG3 LYS 108 HG3 LYS 108 1.121 19.392 -7.910 253 HD2 LYS 108 HD2 LYS 108 2.626 20.524 -6.226 254 HD3 LYS 108 HD3 LYS 108 1.227 21.483 -5.691 255 HE2 LYS 108 HE2 LYS 108 0.011 19.269 -5.255 256 HE3 LYS 108 HE3 LYS 108 1.516 18.436 -5.664 257 HZ1 LYS 108 HZ1 LYS 108 1.571 18.634 -3.368 258 HZ2 LYS 108 HZ2 LYS 108 2.545 19.901 -3.848 259 HZ3 LYS 108 HZ3 LYS 108 1.020 20.194 -3.336 260 H ALA 109 H ALA 109 2.792 21.915 -11.353 261 HA ALA 109 HA ALA 109 2.668 24.769 -11.462 262 HB1 ALA 109 HB1 ALA 109 4.399 24.524 -13.168 263 HB2 ALA 109 HB2 ALA 109 4.710 23.323 -11.885 264 HB3 ALA 109 HB3 ALA 109 3.983 22.838 -13.437 265 H LYS 110 H LYS 110 1.840 22.186 -13.756 266 HA LYS 110 HA LYS 110 1.050 23.804 -15.805 267 HB2 LYS 110 HB2 LYS 110 0.809 20.866 -15.224 268 HB3 LYS 110 HB3 LYS 110 0.139 21.529 -16.731 269 HG2 LYS 110 HG2 LYS 110 2.354 22.437 -17.344 270 HG3 LYS 110 HG3 LYS 110 3.036 21.850 -15.826 271 HD2 LYS 110 HD2 LYS 110 3.692 20.250 -17.442 272 HD3 LYS 110 HD3 LYS 110 2.380 19.504 -16.533 273 HE2 LYS 110 HE2 LYS 110 1.871 18.980 -18.775 274 HE3 LYS 110 HE3 LYS 110 0.797 20.339 -18.390 275 HZ1 LYS 110 HZ1 LYS 110 3.374 20.565 -19.884 276 HZ2 LYS 110 HZ2 LYS 110 1.894 20.614 -20.558 277 HZ3 LYS 110 HZ3 LYS 110 2.367 21.814 -19.563 278 H TRP 111 H TRP 111 -0.954 22.243 -13.357 279 HA TRP 111 HA TRP 111 -3.404 23.589 -14.473 280 HB2 TRP 111 HB2 TRP 111 -3.243 20.782 -13.347 281 HB3 TRP 111 HB3 TRP 111 -4.708 21.608 -13.865 282 HD1 TRP 111 HD1 TRP 111 -4.980 22.082 -16.527 283 HE1 TRP 111 HE1 TRP 111 -4.054 20.859 -18.586 284 HE3 TRP 111 HE3 TRP 111 -1.290 19.410 -14.260 285 HZ2 TRP 111 HZ2 TRP 111 -1.929 18.980 -19.178 286 HZ3 TRP 111 HZ3 TRP 111 0.272 17.995 -15.613 287 HH2 TRP 111 HH2 TRP 111 -0.081 17.715 -18.039 288 H GLY 112 H GLY 112 -2.137 22.056 -11.441 289 HA2 GLY 112 HA2 GLY 112 -1.984 24.014 -9.731 290 HA3 GLY 112 HA3 GLY 112 -3.730 24.045 -9.846 291 HA PRO 113 HA PRO 113 -2.154 20.775 -6.699 292 HB2 PRO 113 HB2 PRO 113 -2.504 22.180 -4.320 293 HB3 PRO 113 HB3 PRO 113 -0.960 21.983 -5.190 294 HG2 PRO 113 HG2 PRO 113 -2.865 24.315 -5.279 295 HG3 PRO 113 HG3 PRO 113 -1.066 24.327 -5.199 296 HD2 PRO 113 HD2 PRO 113 -2.428 24.749 -7.517 297 HD3 PRO 113 HD3 PRO 113 -0.878 23.849 -7.487 298 H GLU 114 H GLU 114 -4.846 23.137 -6.560 299 HA GLU 114 HA GLU 114 -6.655 21.612 -4.981 300 HB2 GLU 114 HB2 GLU 114 -7.417 23.341 -7.347 301 HB3 GLU 114 HB3 GLU 114 -8.336 22.983 -5.853 302 HG2 GLU 114 HG2 GLU 114 -6.518 24.258 -4.593 303 HG3 GLU 114 HG3 GLU 114 -5.859 24.700 -6.184 304 H ALA 115 H ALA 115 -6.115 21.779 -8.425 305 HA ALA 115 HA ALA 115 -8.041 19.904 -9.340 306 HB1 ALA 115 HB1 ALA 115 -6.662 21.612 -10.674 307 HB2 ALA 115 HB2 ALA 115 -5.322 20.416 -10.629 308 HB3 ALA 115 HB3 ALA 115 -6.852 20.001 -11.410 309 H VAL 116 H VAL 116 -4.545 19.569 -8.827 310 HA VAL 116 HA VAL 116 -4.263 16.931 -9.373 311 HB VAL 116 HB VAL 116 -2.702 18.867 -7.678 312 HG11 VAL 116 HG11 VAL 116 -2.034 16.687 -6.768 313 HG12 VAL 116 HG12 VAL 116 -1.718 16.090 -8.411 314 HG13 VAL 116 HG13 VAL 116 -0.748 17.420 -7.717 315 HG21 VAL 116 HG21 VAL 116 -2.919 19.130 -10.194 316 HG22 VAL 116 HG22 VAL 116 -1.248 18.916 -9.623 317 HG23 VAL 116 HG23 VAL 116 -2.139 17.558 -10.359 318 H GLU 117 H GLU 117 -4.846 18.347 -6.121 319 HA GLU 117 HA GLU 117 -4.837 15.808 -4.715 320 HB2 GLU 117 HB2 GLU 117 -6.053 18.530 -4.050 321 HB3 GLU 117 HB3 GLU 117 -6.083 17.144 -2.965 322 HG2 GLU 117 HG2 GLU 117 -3.624 17.072 -2.920 323 HG3 GLU 117 HG3 GLU 117 -3.538 18.458 -4.007 324 H SER 118 H SER 118 -7.376 17.657 -6.416 325 HA SER 118 HA SER 118 -9.605 16.112 -5.405 326 HB2 SER 118 HB2 SER 118 -9.820 18.382 -6.397 327 HB3 SER 118 HB3 SER 118 -9.426 17.700 -7.995 328 HG SER 118 HG SER 118 -11.711 17.868 -7.599 329 H TRP 119 H TRP 119 -7.418 15.737 -8.172 330 HA TRP 119 HA TRP 119 -8.786 13.497 -9.369 331 HB2 TRP 119 HB2 TRP 119 -5.830 14.130 -9.516 332 HB3 TRP 119 HB3 TRP 119 -6.792 13.181 -10.631 333 HD1 TRP 119 HD1 TRP 119 -9.102 15.642 -10.777 334 HE1 TRP 119 HE1 TRP 119 -8.574 17.610 -12.334 335 HE3 TRP 119 HE3 TRP 119 -4.068 14.898 -11.334 336 HZ2 TRP 119 HZ2 TRP 119 -6.250 18.739 -13.630 337 HZ3 TRP 119 HZ3 TRP 119 -2.727 16.412 -12.787 338 HH2 TRP 119 HH2 TRP 119 -3.799 18.334 -13.919 339 H ALA 120 H ALA 120 -7.015 13.601 -6.374 340 HA ALA 120 HA ALA 120 -5.557 11.219 -6.705 341 HB1 ALA 120 HB1 ALA 120 -6.318 12.362 -4.012 342 HB2 ALA 120 HB2 ALA 120 -4.848 11.483 -4.495 343 HB3 ALA 120 HB3 ALA 120 -5.124 13.151 -5.069 344 H THR 121 H THR 121 -5.571 9.583 -5.258 345 HA THR 121 HA THR 121 -8.111 8.139 -4.478 346 HB THR 121 HB THR 121 -5.789 7.101 -6.117 347 HG1 THR 121 HG1 THR 121 -7.395 6.886 -7.772 348 HG21 THR 121 HG21 THR 121 -8.388 5.895 -5.089 349 HG22 THR 121 HG22 THR 121 -7.433 5.108 -6.381 350 HG23 THR 121 HG23 THR 121 -6.734 5.305 -4.768 351 H LEU 122 H LEU 122 -7.846 6.925 -2.658 352 HA LEU 122 HA LEU 122 -5.285 7.266 -1.172 353 HB2 LEU 122 HB2 LEU 122 -7.224 8.140 -0.070 354 HB3 LEU 122 HB3 LEU 122 -8.159 6.683 -0.393 355 HG LEU 122 HG LEU 122 -6.740 5.386 1.152 356 HD11 LEU 122 HD11 LEU 122 -5.357 8.013 1.838 357 HD12 LEU 122 HD12 LEU 122 -5.145 6.437 2.652 358 HD13 LEU 122 HD13 LEU 122 -4.600 6.652 0.988 359 HD21 LEU 122 HD21 LEU 122 -8.757 6.506 2.019 360 HD22 LEU 122 HD22 LEU 122 -7.485 6.410 3.256 361 HD23 LEU 122 HD23 LEU 122 -7.797 7.948 2.415 362 H LEU 123 H LEU 123 -3.944 5.612 -0.982 363 HA LEU 123 HA LEU 123 -4.865 2.801 -1.370 364 HB2 LEU 123 HB2 LEU 123 -2.309 4.190 -2.276 365 HB3 LEU 123 HB3 LEU 123 -2.651 2.465 -2.443 366 HG LEU 123 HG LEU 123 -4.184 4.765 -3.743 367 HD11 LEU 123 HD11 LEU 123 -2.241 2.689 -4.835 368 HD12 LEU 123 HD12 LEU 123 -3.194 3.807 -5.830 369 HD13 LEU 123 HD13 LEU 123 -1.985 4.437 -4.690 370 HD21 LEU 123 HD21 LEU 123 -4.482 1.735 -4.112 371 HD22 LEU 123 HD22 LEU 123 -5.686 2.794 -3.362 372 HD23 LEU 123 HD23 LEU 123 -5.310 2.988 -5.075 373 H GLY 124 H GLY 124 -4.732 1.679 0.334 374 HA2 GLY 124 HA2 GLY 124 -3.224 2.480 2.688 375 HA3 GLY 124 HA3 GLY 124 -4.283 1.074 2.535 376 H HIS 125 H HIS 125 -2.342 0.484 0.046 377 HA HIS 125 HA HIS 125 0.146 -0.342 1.330 378 HB2 HIS 125 HB2 HIS 125 -0.107 -2.721 0.696 379 HB3 HIS 125 HB3 HIS 125 -1.218 -2.231 1.964 380 HD1 HIS 125 HD1 HIS 125 -3.757 -2.732 1.498 381 HD2 HIS 125 HD2 HIS 125 -1.236 -2.989 -1.881 382 HE1 HIS 125 HE1 HIS 125 -5.200 -3.686 -0.415 383 HE2 HIS 125 HE2 HIS 125 -3.650 -3.848 -2.469 384 H5' DC 1 H5' DC 1 -5.229 28.764 7.701 385 H5'' DC 1 H5'' DC 1 -3.910 29.632 6.928 386 H4' DC 1 H4' DC 1 -3.543 29.619 9.289 387 H3' DC 1 H3' DC 1 -1.679 28.587 7.470 388 H2' DC 1 H2' DC 1 -1.676 26.421 8.064 389 H2'' DC 1 H2'' DC 1 -0.681 26.900 9.428 390 H1' DC 1 H1' DC 1 -2.407 26.999 10.935 391 H41 DC 1 H41 DC 1 -5.019 21.197 9.099 392 H42 DC 1 H42 DC 1 -4.851 21.215 10.862 393 H5 DC 1 H5 DC 1 -4.326 23.122 7.714 394 H6 DC 1 H6 DC 1 -3.456 25.379 7.831 395 HO5' DC 1 H5T DC 1 -4.472 27.683 5.771 396 H5' DG 2 H5' DG 2 -0.215 29.039 12.000 397 H5'' DG 2 H5'' DG 2 1.335 29.887 11.982 398 H4' DG 2 H4' DG 2 1.474 28.362 13.748 399 H3' DG 2 H3' DG 2 3.290 28.111 11.611 400 H2' DG 2 H2' DG 2 2.351 26.152 10.781 401 H2'' DG 2 H2'' DG 2 3.483 25.406 11.921 402 H1' DG 2 H1' DG 2 1.825 25.244 13.645 403 H8 DG 2 H8 DG 2 0.497 25.218 10.054 404 H1 DG 2 H1 DG 2 -1.177 20.111 13.609 405 H21 DG 2 H21 DG 2 0.651 21.725 16.033 406 H22 DG 2 H22 DG 2 -0.292 20.299 15.582 407 H5' DC 3 H5' DC 3 4.021 25.706 15.625 408 H5'' DC 3 H5'' DC 3 5.728 25.758 16.051 409 H4' DC 3 H4' DC 3 4.776 23.675 16.782 410 H3' DC 3 H3' DC 3 6.943 23.706 14.829 411 H2' DC 3 H2' DC 3 6.151 22.129 13.435 412 H2'' DC 3 H2'' DC 3 6.199 20.944 14.751 413 H1' DC 3 H1' DC 3 4.002 21.147 15.280 414 H41 DC 3 H41 DC 3 1.669 21.488 9.089 415 H42 DC 3 H42 DC 3 1.119 19.999 9.869 416 H5 DC 3 H5 DC 3 3.257 22.996 10.215 417 H6 DC 3 H6 DC 3 4.396 23.394 12.394 418 H5' DA 4 H5' DA 4 6.404 19.955 17.296 419 H5'' DA 4 H5'' DA 4 7.903 19.318 17.978 420 H4' DA 4 H4' DA 4 6.625 17.482 17.235 421 H3' DA 4 H3' DA 4 9.179 17.967 16.019 422 H2' DA 4 H2' DA 4 8.319 18.259 13.906 423 H2'' DA 4 H2'' DA 4 8.357 16.503 13.833 424 H1' DA 4 H1' DA 4 6.082 16.285 14.583 425 H8 DA 4 H8 DA 4 6.891 19.615 12.896 426 H61 DA 4 H61 DA 4 2.667 17.777 8.653 427 H62 DA 4 H62 DA 4 3.694 19.120 9.131 428 H2 DA 4 H2 DA 4 3.138 14.574 11.542 429 H5' DT 5 H5' DT 5 7.203 13.793 15.436 430 H5'' DT 5 H5'' DT 5 8.379 12.544 15.853 431 H4' DT 5 H4' DT 5 7.057 11.684 14.102 432 H3' DT 5 H3' DT 5 9.863 11.990 13.729 433 H2' DT 5 H2' DT 5 9.698 13.551 12.050 434 H2'' DT 5 H2'' DT 5 9.471 12.141 11.009 435 H1' DT 5 H1' DT 5 7.101 12.232 11.135 436 H3 DT 5 H3 DT 5 5.581 15.352 8.257 437 H71 DT 5 H71 DT 5 9.434 17.965 9.593 438 H72 DT 5 H72 DT 5 8.197 18.667 10.643 439 H73 DT 5 H73 DT 5 9.478 17.634 11.337 440 H6 DT 5 H6 DT 5 8.877 15.481 11.788 441 H5' DA 6 H5' DA 6 7.189 9.223 11.022 442 H5'' DA 6 H5'' DA 6 8.030 7.678 10.856 443 H4' DA 6 H4' DA 6 6.687 7.964 8.953 444 H3' DA 6 H3' DA 6 9.439 7.563 8.650 445 H2' DA 6 H2' DA 6 9.979 9.692 8.056 446 H2'' DA 6 H2'' DA 6 9.588 9.140 6.430 447 H1' DA 6 H1' DA 6 7.423 10.044 6.465 448 H8 DA 6 H8 DA 6 9.934 11.650 8.895 449 H61 DA 6 H61 DA 6 8.271 16.942 5.986 450 H62 DA 6 H62 DA 6 9.423 16.272 7.142 451 H2 DA 6 H2 DA 6 5.825 13.736 4.412 452 H5' DT 7 H5' DT 7 6.685 7.800 5.144 453 H5'' DT 7 H5'' DT 7 6.925 6.646 3.833 454 H4' DT 7 H4' DT 7 6.195 8.828 3.016 455 H3' DT 7 H3' DT 7 8.537 7.510 2.015 456 H2' DT 7 H2' DT 7 9.953 9.226 2.713 457 H2'' DT 7 H2'' DT 7 9.443 9.979 1.186 458 H1' DT 7 H1' DT 7 7.566 11.091 2.251 459 H3 DT 7 H3 DT 7 9.753 14.911 3.285 460 H71 DT 7 H71 DT 7 12.049 10.842 6.099 461 H72 DT 7 H72 DT 7 13.051 12.177 5.478 462 H73 DT 7 H73 DT 7 11.952 12.457 6.829 463 H6 DT 7 H6 DT 7 10.306 10.315 4.624 464 H5' DA 8 H5' DA 8 7.360 10.705 -1.387 465 H5'' DA 8 H5'' DA 8 7.504 9.774 -2.875 466 H4' DA 8 H4' DA 8 8.678 11.739 -3.301 467 H3' DA 8 H3' DA 8 10.418 9.393 -2.942 468 H2' DA 8 H2' DA 8 11.816 10.419 -1.502 469 H2'' DA 8 H2'' DA 8 12.377 11.371 -2.903 470 H1' DA 8 H1' DA 8 10.934 13.155 -2.467 471 H8 DA 8 H8 DA 8 11.467 11.037 0.808 472 H61 DA 8 H61 DA 8 13.297 16.654 2.986 473 H62 DA 8 H62 DA 8 13.012 15.012 3.551 474 H2 DA 8 H2 DA 8 12.216 17.137 -1.060 475 H5' DT 9 H5' DT 9 11.008 12.857 -5.974 476 H5'' DT 9 H5'' DT 9 11.694 12.198 -7.465 477 H4' DT 9 H4' DT 9 12.299 14.504 -7.308 478 H3' DT 9 H3' DT 9 14.273 12.487 -7.460 479 H2' DT 9 H2' DT 9 15.223 12.807 -5.442 480 H2'' DT 9 H2'' DT 9 16.047 14.179 -6.170 481 H1' DT 9 H1' DT 9 14.502 15.760 -5.428 482 H3 DT 9 H3 DT 9 15.371 16.451 -1.050 483 H71 DT 9 H71 DT 9 14.281 11.835 -0.210 484 H72 DT 9 H72 DT 9 14.585 11.097 -1.800 485 H73 DT 9 H73 DT 9 15.935 11.644 -0.781 486 H6 DT 9 H6 DT 9 14.231 12.514 -3.607 487 H5' DG 10 H5' DG 10 15.049 16.994 -7.955 488 H5'' DG 10 H5'' DG 10 15.955 17.248 -9.449 489 H4' DG 10 H4' DG 10 16.441 19.066 -8.023 490 H3' DG 10 H3' DG 10 18.493 17.475 -9.043 491 H2' DG 10 H2' DG 10 18.910 16.341 -7.056 492 H2'' DG 10 H2'' DG 10 20.033 17.682 -6.800 493 H1' DG 10 H1' DG 10 18.475 18.922 -5.508 494 H8 DG 10 H8 DG 10 17.909 15.140 -5.528 495 H1 DG 10 H1 DG 10 19.035 17.689 0.275 496 H21 DG 10 H21 DG 10 19.359 20.596 -1.529 497 H22 DG 10 H22 DG 10 19.510 19.785 0.033 498 H5' DC 11 H5' DC 11 19.582 21.493 -6.730 499 H5'' DC 11 H5'' DC 11 20.659 22.376 -7.811 500 H4' DC 11 H4' DC 11 21.117 23.058 -5.586 501 H3' DC 11 H3' DC 11 23.132 22.079 -7.239 502 H2' DC 11 H2' DC 11 23.447 20.038 -6.211 503 H2'' DC 11 H2'' DC 11 24.498 20.944 -5.125 504 H1' DC 11 H1' DC 11 22.882 21.231 -3.491 505 H41 DC 11 H41 DC 11 21.183 14.844 -3.185 506 H42 DC 11 H42 DC 11 21.492 15.453 -1.556 507 H5 DC 11 H5 DC 11 21.493 16.255 -5.150 508 H6 DC 11 H6 DC 11 21.972 18.589 -5.855 509 H5' DG 12 H5' DG 12 24.923 23.474 -3.223 510 H5'' DG 12 H5'' DG 12 26.488 24.276 -3.383 511 H4' DG 12 H4' DG 12 26.673 22.634 -1.656 512 H3' DG 12 H3' DG 12 28.065 21.827 -4.207 513 HO3' DG 12 H3T DG 12 29.141 23.352 -2.845 514 H2' DG 12 H2' DG 12 28.199 19.677 -3.602 515 H2'' DG 12 H2'' DG 12 28.720 20.076 -1.945 516 H1' DG 12 H1' DG 12 26.598 20.017 -1.096 517 H8 DG 12 H8 DG 12 25.976 19.031 -4.756 518 H1 DG 12 H1 DG 12 24.669 14.520 -0.332 519 H21 DG 12 H21 DG 12 25.919 16.898 1.825 520 H22 DG 12 H22 DG 12 25.361 15.238 1.631 521 H5' DC 13 H5' DC 13 25.456 7.918 4.926 522 H5'' DC 13 H5'' DC 13 24.833 8.124 6.555 523 H4' DC 13 H4' DC 13 25.880 10.159 5.784 524 H3' DC 13 H3' DC 13 23.220 10.011 6.767 525 H2' DC 13 H2' DC 13 22.221 10.793 4.822 526 H2'' DC 13 H2'' DC 13 22.669 12.394 5.466 527 H1' DC 13 H1' DC 13 24.761 12.385 4.346 528 H41 DC 13 H41 DC 13 22.031 11.993 -1.652 529 H42 DC 13 H42 DC 13 23.308 13.216 -1.682 530 H5 DC 13 H5 DC 13 21.450 10.775 0.393 531 H6 DC 13 H6 DC 13 22.114 10.424 2.707 532 HO5' DC 13 H5T DC 13 23.313 8.083 4.112 533 H5' DG 14 H5' DG 14 25.725 14.328 7.153 534 H5'' DG 14 H5'' DG 14 25.352 14.706 8.834 535 H4' DG 14 H4' DG 14 25.711 16.760 7.810 536 H3' DG 14 H3' DG 14 23.249 16.301 8.988 537 H2' DG 14 H2' DG 14 22.050 15.921 7.019 538 H2'' DG 14 H2'' DG 14 21.823 17.649 7.071 539 H1' DG 14 H1' DG 14 23.527 18.096 5.554 540 H8 DG 14 H8 DG 14 22.186 14.526 5.409 541 H1 DG 14 H1 DG 14 22.313 17.631 -0.236 542 H21 DG 14 H21 DG 14 23.722 20.138 1.644 543 H22 DG 14 H22 DG 14 23.130 19.612 0.063 544 H5' DC 15 H5' DC 15 23.691 20.394 7.011 545 H5'' DC 15 H5'' DC 15 22.938 21.769 7.821 546 H4' DC 15 H4' DC 15 22.517 21.839 5.442 547 H3' DC 15 H3' DC 15 20.168 21.425 7.241 548 H2' DC 15 H2' DC 15 18.915 20.464 5.648 549 H2'' DC 15 H2'' DC 15 19.242 21.779 4.496 550 H1' DC 15 H1' DC 15 21.009 20.761 3.522 551 H41 DC 15 H41 DC 15 18.480 14.674 3.170 552 H42 DC 15 H42 DC 15 18.490 15.424 1.566 553 H5 DC 15 H5 DC 15 19.103 15.971 5.173 554 H6 DC 15 H6 DC 15 20.025 18.154 5.899 555 H5' DA 16 H5' DA 16 20.256 23.941 3.610 556 H5'' DA 16 H5'' DA 16 19.633 25.579 3.803 557 H4' DA 16 H4' DA 16 19.125 24.898 1.613 558 H3' DA 16 H3' DA 16 17.030 25.577 3.391 559 H2' DA 16 H2' DA 16 16.233 23.415 3.558 560 H2'' DA 16 H2'' DA 16 15.271 23.883 2.156 561 H1' DA 16 H1' DA 16 16.866 22.997 0.598 562 H8 DA 16 H8 DA 16 16.971 21.408 4.065 563 H61 DA 16 H61 DA 16 15.654 16.096 1.020 564 H62 DA 16 H62 DA 16 16.141 16.735 2.582 565 H2 DA 16 H2 DA 16 15.406 19.352 -1.823 566 H5' DT 17 H5' DT 17 15.719 24.937 -1.003 567 H5'' DT 17 H5'' DT 17 14.656 26.227 -1.558 568 H4' DT 17 H4' DT 17 13.874 24.173 -2.460 569 H3' DT 17 H3' DT 17 12.174 25.723 -0.748 570 H2' DT 17 H2' DT 17 11.897 24.061 0.810 571 H2'' DT 17 H2'' DT 17 10.698 23.407 -0.309 572 H1' DT 17 H1' DT 17 12.287 22.008 -1.415 573 H3 DT 17 H3 DT 17 12.779 18.245 1.037 574 H71 DT 17 H71 DT 17 14.299 20.976 4.689 575 H72 DT 17 H72 DT 17 13.459 22.511 4.337 576 H73 DT 17 H73 DT 17 12.552 21.102 4.931 577 H6 DT 17 H6 DT 17 13.104 22.916 2.130 578 H5' DA 18 H5' DA 18 10.302 22.398 -3.031 579 H5'' DA 18 H5'' DA 18 8.955 22.948 -4.030 580 H4' DA 18 H4' DA 18 8.270 20.868 -3.308 581 H3' DA 18 H3' DA 18 6.851 23.040 -1.947 582 H2' DA 18 H2' DA 18 7.340 22.262 0.121 583 H2'' DA 18 H2'' DA 18 6.057 21.075 -0.207 584 H1' DA 18 H1' DA 18 7.583 19.450 -0.959 585 H8 DA 18 H8 DA 18 8.913 21.894 1.693 586 H61 DA 18 H61 DA 18 10.772 16.517 4.425 587 H62 DA 18 H62 DA 18 10.662 18.249 4.750 588 H2 DA 18 H2 DA 18 9.428 15.602 0.499 589 H5' DT 19 H5' DT 19 5.612 18.728 -2.427 590 H5'' DT 19 H5'' DT 19 4.051 18.679 -3.251 591 H4' DT 19 H4' DT 19 3.847 16.885 -1.762 592 H3' DT 19 H3' DT 19 2.252 19.164 -1.073 593 H2' DT 19 H2' DT 19 3.583 19.776 0.704 594 H2'' DT 19 H2'' DT 19 2.470 18.672 1.561 595 H1' DT 19 H1' DT 19 3.901 16.761 1.137 596 H3 DT 19 H3 DT 19 6.884 16.448 4.430 597 H71 DT 19 H71 DT 19 6.331 21.708 3.093 598 H72 DT 19 H72 DT 19 5.951 21.261 4.777 599 H73 DT 19 H73 DT 19 7.613 21.182 4.207 600 H6 DT 19 H6 DT 19 5.299 20.105 1.744 601 H5' DA 20 H5' DA 20 -1.387 15.248 -0.037 602 H5'' DA 20 H5'' DA 20 -0.085 16.033 0.837 603 H4' DA 20 H4' DA 20 0.052 13.090 0.074 604 H3' DA 20 H3' DA 20 -1.857 14.211 1.752 605 H2' DA 20 H2' DA 20 -0.397 15.267 3.178 606 H2'' DA 20 H2'' DA 20 -0.452 13.730 4.048 607 H1' DA 20 H1' DA 20 1.561 12.935 3.115 608 H8 DA 20 H8 DA 20 1.701 16.700 2.270 609 H61 DA 20 H61 DA 20 5.154 17.258 7.407 610 H62 DA 20 H62 DA 20 4.429 18.134 6.069 611 H2 DA 20 H2 DA 20 3.876 13.094 7.137 612 H5' DT 21 H5' DT 21 0.037 11.118 4.159 613 H5'' DT 21 H5'' DT 21 -1.102 9.785 4.224 614 H4' DT 21 H4' DT 21 -0.086 9.626 6.281 615 H3' DT 21 H3' DT 21 -2.743 10.376 6.426 616 H2' DT 21 H2' DT 21 -2.407 12.626 6.868 617 H2'' DT 21 H2'' DT 21 -2.359 12.040 8.545 618 H1' DT 21 H1' DT 21 -0.048 11.895 8.606 619 H3 DT 21 H3 DT 21 2.071 15.839 8.981 620 H71 DT 21 H71 DT 21 -0.070 17.180 4.845 621 H72 DT 21 H72 DT 21 -1.616 16.304 4.978 622 H73 DT 21 H73 DT 21 -1.259 17.671 6.057 623 H6 DT 21 H6 DT 21 -1.339 14.224 5.961 624 H5' DG 22 H5' DG 22 -0.565 9.588 10.535 625 H5'' DG 22 H5'' DG 22 -1.676 8.770 11.633 626 H4' DG 22 H4' DG 22 -0.461 10.371 12.895 627 H3' DG 22 H3' DG 22 -3.318 10.557 12.723 628 H2' DG 22 H2' DG 22 -3.263 12.605 11.640 629 H2'' DG 22 H2'' DG 22 -3.146 13.229 13.307 630 H1' DG 22 H1' DG 22 -0.745 13.209 13.235 631 H8 DG 22 H8 DG 22 -2.517 13.884 9.900 632 H1 DG 22 H1 DG 22 1.288 18.604 12.111 633 H21 DG 22 H21 DG 22 1.720 16.417 14.739 634 H22 DG 22 H22 DG 22 2.047 18.020 14.068 635 H5' DC 23 H5' DC 23 -0.696 12.428 16.207 636 H5'' DC 23 H5'' DC 23 -1.473 11.894 17.691 637 H4' DC 23 H4' DC 23 -0.268 13.854 18.213 638 H3' DC 23 H3' DC 23 -3.028 13.710 18.657 639 H2' DC 23 H2' DC 23 -3.704 15.190 17.044 640 H2'' DC 23 H2'' DC 23 -3.327 16.429 18.223 641 H1' DC 23 H1' DC 23 -1.218 16.880 17.368 642 H41 DC 23 H41 DC 23 -3.559 17.633 11.224 643 H42 DC 23 H42 DC 23 -2.619 19.061 11.673 644 H5 DC 23 H5 DC 23 -3.857 15.762 12.762 645 H6 DC 23 H6 DC 23 -3.198 14.922 15.012 646 H5' DG 24 H5' DG 24 -1.403 17.624 20.492 647 H5'' DG 24 H5'' DG 24 -2.212 18.062 21.997 648 H4' DG 24 H4' DG 24 -2.215 19.972 20.586 649 H3' DG 24 H3' DG 24 -4.925 18.669 20.741 650 HO3' DG 24 H3T DG 24 -5.319 20.571 22.016 651 H2' DG 24 H2' DG 24 -5.703 19.857 19.004 652 H2'' DG 24 H2'' DG 24 -4.942 21.371 19.559 653 H1' DG 24 H1' DG 24 -3.036 21.040 18.348 654 H8 DG 24 H8 DG 24 -5.127 18.009 17.263 655 H1 DG 24 H1 DG 24 -4.020 22.506 12.763 656 H21 DG 24 H21 DG 24 -2.359 24.046 15.376 657 H22 DG 24 H22 DG 24 -2.913 24.176 13.705 Start of MODEL 6 1 H ALA 79 H1 ALA 79 -1.638 6.488 9.121 2 HA ALA 79 HA ALA 79 1.291 6.159 9.464 3 HB1 ALA 79 HB1 ALA 79 -0.879 4.443 8.174 4 HB2 ALA 79 HB2 ALA 79 0.876 4.102 8.087 5 HB3 ALA 79 HB3 ALA 79 0.027 4.049 9.648 6 H ARG 80 H ARG 80 2.523 6.174 7.555 7 HA ARG 80 HA ARG 80 2.010 8.217 5.646 8 HB2 ARG 80 HB2 ARG 80 4.097 6.034 5.843 9 HB3 ARG 80 HB3 ARG 80 4.119 7.258 4.571 10 HG2 ARG 80 HG2 ARG 80 4.002 7.952 7.530 11 HG3 ARG 80 HG3 ARG 80 5.507 7.813 6.612 12 HD2 ARG 80 HD2 ARG 80 5.268 9.977 6.039 13 HD3 ARG 80 HD3 ARG 80 3.889 9.490 5.058 14 HE ARG 80 HE ARG 80 2.437 10.445 6.592 15 HH11 ARG 80 HH12 ARG 80 5.639 10.390 8.110 16 HH12 ARG 80 HH11 ARG 80 5.132 11.640 9.221 17 HH21 ARG 80 HH21 ARG 80 1.917 11.844 8.309 18 HH22 ARG 80 HH22 ARG 80 3.185 12.298 9.400 19 H LYS 81 H LYS 81 -0.219 7.181 5.208 20 HA LYS 81 HA LYS 81 -0.747 5.183 3.288 21 HB2 LYS 81 HB2 LYS 81 -2.108 7.794 4.107 22 HB3 LYS 81 HB3 LYS 81 -2.826 6.679 2.953 23 HG2 LYS 81 HG2 LYS 81 -3.265 5.047 4.543 24 HG3 LYS 81 HG3 LYS 81 -1.985 5.591 5.655 25 HD2 LYS 81 HD2 LYS 81 -3.238 7.517 6.322 26 HD3 LYS 81 HD3 LYS 81 -4.502 7.213 5.111 27 HE2 LYS 81 HE2 LYS 81 -5.203 5.183 6.205 28 HE3 LYS 81 HE3 LYS 81 -3.791 5.179 7.267 29 HZ1 LYS 81 HZ1 LYS 81 -4.619 7.119 8.398 30 HZ2 LYS 81 HZ2 LYS 81 -5.883 7.296 7.372 31 HZ3 LYS 81 HZ3 LYS 81 -5.824 6.012 8.391 32 H VAL 82 H VAL 82 -0.525 5.074 1.323 33 HA VAL 82 HA VAL 82 0.739 7.054 -0.411 34 HB VAL 82 HB VAL 82 -0.584 4.374 -1.007 35 HG11 VAL 82 HG11 VAL 82 0.736 4.492 -3.158 36 HG12 VAL 82 HG12 VAL 82 -0.666 5.555 -3.063 37 HG13 VAL 82 HG13 VAL 82 0.978 6.229 -2.848 38 HG21 VAL 82 HG21 VAL 82 2.349 5.106 -0.847 39 HG22 VAL 82 HG22 VAL 82 1.420 4.253 0.428 40 HG23 VAL 82 HG23 VAL 82 1.654 3.501 -1.160 41 H LYS 83 H LYS 83 -0.191 8.513 -1.708 42 HA LYS 83 HA LYS 83 -3.087 8.273 -2.348 43 HB2 LYS 83 HB2 LYS 83 -1.345 10.690 -1.941 44 HB3 LYS 83 HB3 LYS 83 -2.526 10.725 -3.276 45 HG2 LYS 83 HG2 LYS 83 -4.360 10.208 -1.817 46 HG3 LYS 83 HG3 LYS 83 -3.283 10.098 -0.407 47 HD2 LYS 83 HD2 LYS 83 -2.740 12.457 -0.538 48 HD3 LYS 83 HD3 LYS 83 -3.436 12.590 -2.158 49 HE2 LYS 83 HE2 LYS 83 -4.958 13.651 -0.660 50 HE3 LYS 83 HE3 LYS 83 -5.701 12.180 -1.296 51 HZ1 LYS 83 HZ1 LYS 83 -6.085 12.334 1.088 52 HZ2 LYS 83 HZ2 LYS 83 -5.019 11.100 0.880 53 HZ3 LYS 83 HZ3 LYS 83 -4.499 12.539 1.431 54 H GLN 84 H GLN 84 -3.518 7.710 -4.355 55 HA GLN 84 HA GLN 84 -1.366 7.645 -6.380 56 HB2 GLN 84 HB2 GLN 84 -2.357 5.668 -6.833 57 HB3 GLN 84 HB3 GLN 84 -3.844 6.066 -5.964 58 HG2 GLN 84 HG2 GLN 84 -4.634 7.325 -7.893 59 HG3 GLN 84 HG3 GLN 84 -3.133 6.948 -8.790 60 HE21 GLN 84 HE22 GLN 84 -2.696 4.476 -9.073 61 HE22 GLN 84 HE21 GLN 84 -4.126 3.486 -9.308 62 H TYR 85 H TYR 85 -1.610 8.969 -8.118 63 HA TYR 85 HA TYR 85 -3.922 10.879 -8.182 64 HB2 TYR 85 HB2 TYR 85 -1.028 11.615 -8.779 65 HB3 TYR 85 HB3 TYR 85 -2.420 12.681 -8.834 66 HD1 TYR 85 HD1 TYR 85 -3.512 13.488 -6.824 67 HD2 TYR 85 HD2 TYR 85 0.057 11.092 -6.636 68 HE1 TYR 85 HE1 TYR 85 -3.085 14.334 -4.515 69 HE2 TYR 85 HE2 TYR 85 0.497 11.908 -4.332 70 HH TYR 85 HH TYR 85 -0.195 13.387 -2.650 71 H LYS 86 H LYS 86 -4.723 11.229 -10.266 72 HA LYS 86 HA LYS 86 -3.299 10.005 -12.598 73 HB2 LYS 86 HB2 LYS 86 -4.961 8.409 -11.861 74 HB3 LYS 86 HB3 LYS 86 -6.217 9.652 -11.776 75 HG2 LYS 86 HG2 LYS 86 -6.271 9.916 -14.170 76 HG3 LYS 86 HG3 LYS 86 -4.807 8.949 -14.383 77 HD2 LYS 86 HD2 LYS 86 -6.020 6.955 -13.456 78 HD3 LYS 86 HD3 LYS 86 -7.489 7.949 -13.330 79 HE2 LYS 86 HE2 LYS 86 -7.374 8.374 -15.806 80 HE3 LYS 86 HE3 LYS 86 -5.938 7.350 -15.900 81 HZ1 LYS 86 HZ1 LYS 86 -8.634 6.413 -15.033 82 HZ2 LYS 86 HZ2 LYS 86 -7.955 6.103 -16.483 83 HZ3 LYS 86 HZ3 LYS 86 -7.305 5.464 -15.130 84 H ASN 87 H ASN 87 -3.375 11.204 -14.428 85 HA ASN 87 HA ASN 87 -4.534 13.934 -14.134 86 HB2 ASN 87 HB2 ASN 87 -2.161 13.648 -14.316 87 HB3 ASN 87 HB3 ASN 87 -2.318 12.883 -15.893 88 HD21 ASN 87 HD22 ASN 87 -0.828 15.288 -15.223 89 HD22 ASN 87 HD21 ASN 87 -1.610 16.611 -16.094 90 HA PRO 88 HA PRO 88 -7.689 12.680 -17.194 91 HB2 PRO 88 HB2 PRO 88 -8.255 15.629 -16.869 92 HB3 PRO 88 HB3 PRO 88 -9.413 14.263 -16.952 93 HG2 PRO 88 HG2 PRO 88 -8.788 15.380 -14.560 94 HG3 PRO 88 HG3 PRO 88 -8.890 13.598 -14.712 95 HD2 PRO 88 HD2 PRO 88 -6.427 15.341 -14.714 96 HD3 PRO 88 HD3 PRO 88 -6.730 13.794 -13.874 97 H HIS 89 H HIS 89 -5.308 15.288 -17.506 98 HA HIS 89 HA HIS 89 -5.994 15.860 -20.316 99 HB2 HIS 89 HB2 HIS 89 -3.754 16.968 -18.564 100 HB3 HIS 89 HB3 HIS 89 -4.298 17.619 -20.107 101 HD1 HIS 89 HD1 HIS 89 -6.890 18.677 -20.087 102 HD2 HIS 89 HD2 HIS 89 -5.028 17.780 -16.395 103 HE1 HIS 89 HE1 HIS 89 -8.217 19.940 -18.276 104 HE2 HIS 89 HE2 HIS 89 -7.074 19.402 -16.034 105 H THR 90 H THR 90 -3.681 13.828 -18.665 106 HA THR 90 HA THR 90 -2.163 13.393 -21.224 107 HB THR 90 HB THR 90 -0.182 13.072 -19.896 108 HG1 THR 90 HG1 THR 90 -0.272 13.381 -17.659 109 HG21 THR 90 HG21 THR 90 -1.586 15.552 -18.812 110 HG22 THR 90 HG22 THR 90 0.165 15.270 -18.932 111 HG23 THR 90 HG23 THR 90 -0.800 15.458 -20.413 112 H GLY 91 H GLY 91 -3.886 11.751 -18.647 113 HA2 GLY 91 HA2 GLY 91 -4.404 9.519 -18.390 114 HA3 GLY 91 HA3 GLY 91 -3.528 9.123 -19.867 115 H GLU 92 H GLU 92 -1.656 10.927 -17.539 116 HA GLU 92 HA GLU 92 0.086 8.696 -16.893 117 HB2 GLU 92 HB2 GLU 92 -0.031 11.614 -16.076 118 HB3 GLU 92 HB3 GLU 92 1.211 10.476 -15.523 119 HG2 GLU 92 HG2 GLU 92 2.090 10.200 -17.713 120 HG3 GLU 92 HG3 GLU 92 0.817 11.190 -18.444 121 H VAL 93 H VAL 93 0.261 7.894 -14.889 122 HA VAL 93 HA VAL 93 -1.437 8.818 -12.632 123 HB VAL 93 HB VAL 93 -0.698 5.974 -13.279 124 HG11 VAL 93 HG11 VAL 93 -1.172 6.216 -10.856 125 HG12 VAL 93 HG12 VAL 93 -2.684 7.079 -11.216 126 HG13 VAL 93 HG13 VAL 93 -2.503 5.368 -11.620 127 HG21 VAL 93 HG21 VAL 93 -3.140 5.657 -13.864 128 HG22 VAL 93 HG22 VAL 93 -3.333 7.424 -13.741 129 HG23 VAL 93 HG23 VAL 93 -2.284 6.728 -14.981 130 H ILE 94 H ILE 94 -0.534 8.410 -10.613 131 HA ILE 94 HA ILE 94 2.284 7.637 -10.271 132 HB ILE 94 HB ILE 94 1.787 9.901 -8.551 133 HG12 ILE 94 HG12 ILE 94 1.755 10.791 -11.454 134 HG13 ILE 94 HG13 ILE 94 0.347 10.792 -10.377 135 HG21 ILE 94 HG21 ILE 94 3.876 9.686 -10.737 136 HG22 ILE 94 HG22 ILE 94 3.971 10.569 -9.182 137 HG23 ILE 94 HG23 ILE 94 3.979 8.817 -9.178 138 HD11 ILE 94 HD11 ILE 94 1.588 12.234 -8.772 139 HD12 ILE 94 HD12 ILE 94 2.885 12.390 -9.977 140 HD13 ILE 94 HD13 ILE 94 1.266 13.004 -10.350 141 H GLU 95 H GLU 95 2.791 7.540 -7.971 142 HA GLU 95 HA GLU 95 0.641 7.300 -5.970 143 HB2 GLU 95 HB2 GLU 95 2.459 5.082 -6.941 144 HB3 GLU 95 HB3 GLU 95 1.851 5.092 -5.265 145 HG2 GLU 95 HG2 GLU 95 -0.427 5.017 -5.984 146 HG3 GLU 95 HG3 GLU 95 0.025 5.181 -7.686 147 H THR 96 H THR 96 1.382 8.489 -4.293 148 HA THR 96 HA THR 96 4.219 8.273 -3.430 149 HB THR 96 HB THR 96 4.852 10.398 -3.751 150 HG1 THR 96 HG1 THR 96 3.510 12.183 -3.486 151 HG21 THR 96 HG21 THR 96 3.942 11.611 -5.681 152 HG22 THR 96 HG22 THR 96 4.051 9.898 -6.083 153 HG23 THR 96 HG23 THR 96 2.471 10.605 -5.653 154 H LYS 97 H LYS 97 4.555 8.875 -1.199 155 HA LYS 97 HA LYS 97 2.059 8.841 0.461 156 HB2 LYS 97 HB2 LYS 97 4.946 8.654 1.290 157 HB3 LYS 97 HB3 LYS 97 3.557 8.290 2.302 158 HG2 LYS 97 HG2 LYS 97 3.033 6.304 1.020 159 HG3 LYS 97 HG3 LYS 97 4.229 6.700 -0.212 160 HD2 LYS 97 HD2 LYS 97 5.990 6.570 1.683 161 HD3 LYS 97 HD3 LYS 97 4.731 5.782 2.625 162 HE2 LYS 97 HE2 LYS 97 6.057 4.057 1.636 163 HE3 LYS 97 HE3 LYS 97 4.520 4.064 0.771 164 HZ1 LYS 97 HZ1 LYS 97 5.632 5.298 -1.041 165 HZ2 LYS 97 HZ2 LYS 97 7.023 5.402 -0.212 166 HZ3 LYS 97 HZ3 LYS 97 6.490 3.936 -0.726 167 H GLY 98 H GLY 98 3.443 11.186 -1.069 168 HA2 GLY 98 HA2 GLY 98 2.845 13.513 -0.380 169 HA3 GLY 98 HA3 GLY 98 3.710 13.182 1.131 170 H GLY 99 H GLY 99 4.829 15.113 0.489 171 HA2 GLY 99 HA2 GLY 99 6.840 16.040 0.166 172 HA3 GLY 99 HA3 GLY 99 7.445 14.474 -0.338 173 H ASN 100 H ASN 100 8.519 16.663 -1.255 174 HA ASN 100 HA ASN 100 7.933 17.604 -3.862 175 HB2 ASN 100 HB2 ASN 100 9.578 18.692 -2.519 176 HB3 ASN 100 HB3 ASN 100 10.349 17.193 -2.093 177 HD21 ASN 100 HD22 ASN 100 12.182 18.626 -2.492 178 HD22 ASN 100 HD21 ASN 100 12.949 18.290 -4.023 179 H HIS 101 H HIS 101 7.209 16.108 -5.323 180 HA HIS 101 HA HIS 101 9.076 13.944 -6.178 181 HB2 HIS 101 HB2 HIS 101 7.159 13.079 -4.789 182 HB3 HIS 101 HB3 HIS 101 6.048 13.662 -6.022 183 HD1 HIS 101 HD1 HIS 101 9.019 11.120 -5.665 184 HD2 HIS 101 HD2 HIS 101 5.664 12.027 -8.102 185 HE1 HIS 101 HE1 HIS 101 8.783 9.196 -7.331 186 HE2 HIS 101 HE2 HIS 101 6.761 9.737 -8.821 187 H LYS 102 H LYS 102 9.378 13.752 -8.372 188 HA LYS 102 HA LYS 102 9.252 16.036 -9.922 189 HB2 LYS 102 HB2 LYS 102 10.724 13.990 -10.219 190 HB3 LYS 102 HB3 LYS 102 9.390 13.233 -11.067 191 HG2 LYS 102 HG2 LYS 102 10.672 14.152 -12.801 192 HG3 LYS 102 HG3 LYS 102 9.373 15.320 -12.593 193 HD2 LYS 102 HD2 LYS 102 11.426 16.502 -12.935 194 HD3 LYS 102 HD3 LYS 102 10.904 16.789 -11.270 195 HE2 LYS 102 HE2 LYS 102 12.520 15.100 -10.447 196 HE3 LYS 102 HE3 LYS 102 12.952 14.679 -12.105 197 HZ1 LYS 102 HZ1 LYS 102 13.429 17.342 -10.867 198 HZ2 LYS 102 HZ2 LYS 102 14.555 16.167 -11.088 199 HZ3 LYS 102 HZ3 LYS 102 13.872 16.905 -12.389 200 H THR 103 H THR 103 7.236 13.259 -11.036 201 HA THR 103 HA THR 103 5.815 14.810 -12.894 202 HB THR 103 HB THR 103 4.747 12.338 -11.500 203 HG1 THR 103 HG1 THR 103 5.809 11.260 -13.218 204 HG21 THR 103 HG21 THR 103 3.036 13.340 -12.842 205 HG22 THR 103 HG22 THR 103 4.167 13.750 -14.133 206 HG23 THR 103 HG23 THR 103 3.696 12.047 -13.855 207 H LEU 104 H LEU 104 4.938 14.114 -9.531 208 HA LEU 104 HA LEU 104 2.371 15.308 -9.487 209 HB2 LEU 104 HB2 LEU 104 3.362 13.775 -7.767 210 HB3 LEU 104 HB3 LEU 104 4.479 15.054 -7.288 211 HG LEU 104 HG LEU 104 2.626 16.420 -6.457 212 HD11 LEU 104 HD11 LEU 104 0.804 15.691 -7.961 213 HD12 LEU 104 HD12 LEU 104 0.852 14.060 -7.257 214 HD13 LEU 104 HD13 LEU 104 0.348 15.441 -6.271 215 HD21 LEU 104 HD21 LEU 104 3.709 14.772 -4.962 216 HD22 LEU 104 HD22 LEU 104 2.000 14.992 -4.556 217 HD23 LEU 104 HD23 LEU 104 2.510 13.544 -5.443 218 H LYS 105 H LYS 105 5.611 16.787 -9.089 219 HA LYS 105 HA LYS 105 4.582 19.431 -8.467 220 HB2 LYS 105 HB2 LYS 105 6.853 18.702 -7.789 221 HB3 LYS 105 HB3 LYS 105 7.303 18.495 -9.474 222 HG2 LYS 105 HG2 LYS 105 8.256 20.550 -8.631 223 HG3 LYS 105 HG3 LYS 105 7.105 20.892 -9.903 224 HD2 LYS 105 HD2 LYS 105 6.780 22.552 -8.254 225 HD3 LYS 105 HD3 LYS 105 5.391 21.481 -8.119 226 HE2 LYS 105 HE2 LYS 105 6.570 20.300 -6.189 227 HE3 LYS 105 HE3 LYS 105 7.889 21.467 -6.361 228 HZ1 LYS 105 HZ1 LYS 105 6.431 22.262 -4.657 229 HZ2 LYS 105 HZ2 LYS 105 6.138 23.249 -5.938 230 HZ3 LYS 105 HZ3 LYS 105 5.090 22.034 -5.506 231 H GLU 106 H GLU 106 5.337 17.775 -11.553 232 HA GLU 106 HA GLU 106 5.239 20.197 -13.097 233 HB2 GLU 106 HB2 GLU 106 4.495 17.438 -14.099 234 HB3 GLU 106 HB3 GLU 106 5.075 18.837 -15.037 235 HG2 GLU 106 HG2 GLU 106 7.221 18.604 -13.583 236 HG3 GLU 106 HG3 GLU 106 6.502 17.048 -13.110 237 H TRP 107 H TRP 107 2.882 17.694 -12.308 238 HA TRP 107 HA TRP 107 0.672 18.862 -13.683 239 HB2 TRP 107 HB2 TRP 107 0.626 17.247 -11.119 240 HB3 TRP 107 HB3 TRP 107 -0.769 17.606 -12.138 241 HD1 TRP 107 HD1 TRP 107 1.915 16.649 -14.478 242 HE1 TRP 107 HE1 TRP 107 1.638 14.181 -15.178 243 HE3 TRP 107 HE3 TRP 107 -1.576 15.167 -11.030 244 HZ2 TRP 107 HZ2 TRP 107 0.585 11.800 -13.969 245 HZ3 TRP 107 HZ3 TRP 107 -2.318 12.807 -10.975 246 HH2 TRP 107 HH2 TRP 107 -1.179 11.093 -12.387 247 H LYS 108 H LYS 108 1.850 19.567 -10.376 248 HA LYS 108 HA LYS 108 -0.244 21.470 -9.727 249 HB2 LYS 108 HB2 LYS 108 2.627 21.205 -8.727 250 HB3 LYS 108 HB3 LYS 108 1.476 22.397 -8.122 251 HG2 LYS 108 HG2 LYS 108 -0.096 20.543 -7.524 252 HG3 LYS 108 HG3 LYS 108 1.147 19.379 -7.987 253 HD2 LYS 108 HD2 LYS 108 2.719 20.511 -6.349 254 HD3 LYS 108 HD3 LYS 108 1.357 21.520 -5.820 255 HE2 LYS 108 HE2 LYS 108 0.082 19.343 -5.324 256 HE3 LYS 108 HE3 LYS 108 1.565 18.472 -5.726 257 HZ1 LYS 108 HZ1 LYS 108 1.651 18.727 -3.432 258 HZ2 LYS 108 HZ2 LYS 108 2.646 19.964 -3.953 259 HZ3 LYS 108 HZ3 LYS 108 1.131 20.292 -3.435 260 H ALA 109 H ALA 109 2.844 21.791 -11.522 261 HA ALA 109 HA ALA 109 2.806 24.646 -11.663 262 HB1 ALA 109 HB1 ALA 109 4.794 23.136 -12.105 263 HB2 ALA 109 HB2 ALA 109 4.029 22.643 -13.635 264 HB3 ALA 109 HB3 ALA 109 4.492 24.327 -13.404 265 H LYS 110 H LYS 110 1.850 22.073 -13.912 266 HA LYS 110 HA LYS 110 1.074 23.727 -15.945 267 HB2 LYS 110 HB2 LYS 110 0.783 20.789 -15.385 268 HB3 LYS 110 HB3 LYS 110 0.112 21.476 -16.877 269 HG2 LYS 110 HG2 LYS 110 2.354 22.371 -17.478 270 HG3 LYS 110 HG3 LYS 110 3.026 21.706 -15.987 271 HD2 LYS 110 HD2 LYS 110 3.622 20.150 -17.667 272 HD3 LYS 110 HD3 LYS 110 2.283 19.408 -16.799 273 HE2 LYS 110 HE2 LYS 110 1.776 19.010 -19.060 274 HE3 LYS 110 HE3 LYS 110 0.735 20.367 -18.613 275 HZ1 LYS 110 HZ1 LYS 110 2.367 21.865 -19.705 276 HZ2 LYS 110 HZ2 LYS 110 3.328 20.596 -20.085 277 HZ3 LYS 110 HZ3 LYS 110 1.853 20.736 -20.762 278 H TRP 111 H TRP 111 -0.938 22.182 -13.486 279 HA TRP 111 HA TRP 111 -3.367 23.584 -14.570 280 HB2 TRP 111 HB2 TRP 111 -3.258 20.766 -13.449 281 HB3 TRP 111 HB3 TRP 111 -4.704 21.626 -13.971 282 HD1 TRP 111 HD1 TRP 111 -4.927 22.125 -16.642 283 HE1 TRP 111 HE1 TRP 111 -4.001 20.887 -18.694 284 HE3 TRP 111 HE3 TRP 111 -1.373 19.322 -14.325 285 HZ2 TRP 111 HZ2 TRP 111 -1.902 18.973 -19.261 286 HZ3 TRP 111 HZ3 TRP 111 0.178 17.872 -15.659 287 HH2 TRP 111 HH2 TRP 111 -0.116 17.647 -18.096 288 H GLY 112 H GLY 112 -2.092 22.031 -11.554 289 HA2 GLY 112 HA2 GLY 112 -1.883 23.972 -9.847 290 HA3 GLY 112 HA3 GLY 112 -3.628 24.063 -9.943 291 HA PRO 113 HA PRO 113 -2.080 20.774 -6.799 292 HB2 PRO 113 HB2 PRO 113 -2.404 22.189 -4.428 293 HB3 PRO 113 HB3 PRO 113 -0.872 21.978 -5.314 294 HG2 PRO 113 HG2 PRO 113 -2.773 24.317 -5.396 295 HG3 PRO 113 HG3 PRO 113 -0.975 24.327 -5.319 296 HD2 PRO 113 HD2 PRO 113 -2.332 24.745 -7.631 297 HD3 PRO 113 HD3 PRO 113 -0.791 23.835 -7.604 298 H GLU 114 H GLU 114 -4.776 23.147 -6.649 299 HA GLU 114 HA GLU 114 -6.570 21.631 -5.043 300 HB2 GLU 114 HB2 GLU 114 -7.354 23.350 -7.405 301 HB3 GLU 114 HB3 GLU 114 -8.254 23.007 -5.897 302 HG2 GLU 114 HG2 GLU 114 -6.415 24.279 -4.669 303 HG3 GLU 114 HG3 GLU 114 -5.772 24.709 -6.270 304 H ALA 115 H ALA 115 -6.072 21.780 -8.494 305 HA ALA 115 HA ALA 115 -8.022 19.915 -9.378 306 HB1 ALA 115 HB1 ALA 115 -5.307 20.416 -10.687 307 HB2 ALA 115 HB2 ALA 115 -6.837 20.001 -11.461 308 HB3 ALA 115 HB3 ALA 115 -6.642 21.615 -10.731 309 H VAL 116 H VAL 116 -4.533 19.578 -8.882 310 HA VAL 116 HA VAL 116 -4.234 16.937 -9.427 311 HB VAL 116 HB VAL 116 -2.685 18.899 -7.746 312 HG11 VAL 116 HG11 VAL 116 -1.687 16.116 -8.418 313 HG12 VAL 116 HG12 VAL 116 -0.725 17.467 -7.758 314 HG13 VAL 116 HG13 VAL 116 -2.010 16.753 -6.784 315 HG21 VAL 116 HG21 VAL 116 -2.122 17.548 -10.407 316 HG22 VAL 116 HG22 VAL 116 -2.895 19.127 -10.262 317 HG23 VAL 116 HG23 VAL 116 -1.223 18.915 -9.690 318 H GLU 117 H GLU 117 -4.804 18.361 -6.173 319 HA GLU 117 HA GLU 117 -4.827 15.821 -4.758 320 HB2 GLU 117 HB2 GLU 117 -6.014 18.561 -4.109 321 HB3 GLU 117 HB3 GLU 117 -6.060 17.178 -3.017 322 HG2 GLU 117 HG2 GLU 117 -3.587 17.095 -2.983 323 HG3 GLU 117 HG3 GLU 117 -3.510 18.501 -4.055 324 H SER 118 H SER 118 -7.339 17.697 -6.482 325 HA SER 118 HA SER 118 -9.583 16.205 -5.417 326 HB2 SER 118 HB2 SER 118 -9.384 17.799 -8.000 327 HB3 SER 118 HB3 SER 118 -10.869 17.148 -7.294 328 HG SER 118 HG SER 118 -9.144 19.150 -6.273 329 H TRP 119 H TRP 119 -7.403 15.686 -8.152 330 HA TRP 119 HA TRP 119 -8.871 13.448 -9.265 331 HB2 TRP 119 HB2 TRP 119 -5.921 14.055 -9.567 332 HB3 TRP 119 HB3 TRP 119 -6.954 13.095 -10.615 333 HD1 TRP 119 HD1 TRP 119 -9.265 15.492 -10.781 334 HE1 TRP 119 HE1 TRP 119 -8.808 17.458 -12.360 335 HE3 TRP 119 HE3 TRP 119 -4.211 14.910 -11.359 336 HZ2 TRP 119 HZ2 TRP 119 -6.537 18.651 -13.679 337 HZ3 TRP 119 HZ3 TRP 119 -2.929 16.458 -12.832 338 HH2 TRP 119 HH2 TRP 119 -4.074 18.334 -13.980 339 H ALA 120 H ALA 120 -7.064 13.592 -6.302 340 HA ALA 120 HA ALA 120 -5.612 11.204 -6.615 341 HB1 ALA 120 HB1 ALA 120 -6.346 12.412 -3.943 342 HB2 ALA 120 HB2 ALA 120 -4.894 11.489 -4.400 343 HB3 ALA 120 HB3 ALA 120 -5.143 13.148 -5.015 344 H THR 121 H THR 121 -5.641 9.597 -5.119 345 HA THR 121 HA THR 121 -8.166 8.142 -4.298 346 HB THR 121 HB THR 121 -5.852 7.109 -5.967 347 HG1 THR 121 HG1 THR 121 -7.469 6.867 -7.596 348 HG21 THR 121 HG21 THR 121 -8.410 5.880 -4.881 349 HG22 THR 121 HG22 THR 121 -7.476 5.104 -6.197 350 HG23 THR 121 HG23 THR 121 -6.748 5.309 -4.603 351 H LEU 122 H LEU 122 -7.828 6.827 -2.522 352 HA LEU 122 HA LEU 122 -5.186 7.159 -1.128 353 HB2 LEU 122 HB2 LEU 122 -7.427 8.120 -0.252 354 HB3 LEU 122 HB3 LEU 122 -7.812 6.463 0.201 355 HG LEU 122 HG LEU 122 -5.363 8.071 1.100 356 HD11 LEU 122 HD11 LEU 122 -7.521 8.886 2.032 357 HD12 LEU 122 HD12 LEU 122 -7.862 7.253 2.643 358 HD13 LEU 122 HD13 LEU 122 -6.489 8.174 3.284 359 HD21 LEU 122 HD21 LEU 122 -6.265 5.269 1.843 360 HD22 LEU 122 HD22 LEU 122 -4.667 5.832 1.268 361 HD23 LEU 122 HD23 LEU 122 -5.207 6.239 2.883 362 H LEU 123 H LEU 123 -3.957 5.495 -0.920 363 HA LEU 123 HA LEU 123 -4.959 2.714 -1.313 364 HB2 LEU 123 HB2 LEU 123 -2.349 4.028 -2.210 365 HB3 LEU 123 HB3 LEU 123 -2.771 2.327 -2.424 366 HG LEU 123 HG LEU 123 -4.170 4.736 -3.683 367 HD11 LEU 123 HD11 LEU 123 -2.335 2.562 -4.784 368 HD12 LEU 123 HD12 LEU 123 -3.200 3.754 -5.770 369 HD13 LEU 123 HD13 LEU 123 -1.972 4.288 -4.594 370 HD21 LEU 123 HD21 LEU 123 -5.371 3.041 -5.069 371 HD22 LEU 123 HD22 LEU 123 -4.668 1.740 -4.075 372 HD23 LEU 123 HD23 LEU 123 -5.808 2.902 -3.368 373 H GLY 124 H GLY 124 -4.560 1.336 0.175 374 HA2 GLY 124 HA2 GLY 124 -3.444 2.106 2.712 375 HA3 GLY 124 HA3 GLY 124 -4.055 0.516 2.280 376 H HIS 125 H HIS 125 -1.926 0.557 -0.002 377 HA HIS 125 HA HIS 125 0.640 0.348 1.380 378 HB2 HIS 125 HB2 HIS 125 0.979 -2.039 0.743 379 HB3 HIS 125 HB3 HIS 125 -0.217 -1.795 2.003 380 HD1 HIS 125 HD1 HIS 125 -1.055 -1.501 -1.747 381 HD2 HIS 125 HD2 HIS 125 -1.624 -4.003 1.604 382 HE1 HIS 125 HE1 HIS 125 -2.770 -3.325 -2.468 383 HE2 HIS 125 HE2 HIS 125 -3.118 -4.822 -0.397 384 H5' DC 1 H5' DC 1 -4.953 29.160 7.560 385 H5'' DC 1 H5'' DC 1 -3.541 29.955 6.877 386 H4' DC 1 H4' DC 1 -3.305 29.880 9.258 387 H3' DC 1 H3' DC 1 -1.412 28.774 7.516 388 H2' DC 1 H2' DC 1 -1.570 26.605 8.065 389 H2'' DC 1 H2'' DC 1 -0.609 27.001 9.479 390 H1' DC 1 H1' DC 1 -2.393 27.202 10.911 391 H41 DC 1 H41 DC 1 -5.162 21.516 8.911 392 H42 DC 1 H42 DC 1 -5.071 21.520 10.676 393 H5 DC 1 H5 DC 1 -4.345 23.440 7.567 394 H6 DC 1 H6 DC 1 -3.393 25.659 7.750 395 HO5' DC 1 H5T DC 1 -4.170 28.054 5.661 396 H5' DG 2 H5' DG 2 -0.173 29.035 12.146 397 H5'' DG 2 H5'' DG 2 1.391 29.853 12.199 398 H4' DG 2 H4' DG 2 1.456 28.330 13.959 399 H3' DG 2 H3' DG 2 3.326 28.023 11.886 400 H2' DG 2 H2' DG 2 2.340 26.112 11.003 401 H2'' DG 2 H2'' DG 2 3.413 25.314 12.158 402 H1' DG 2 H1' DG 2 1.705 25.159 13.826 403 H8 DG 2 H8 DG 2 0.474 25.294 10.205 404 H1 DG 2 H1 DG 2 -1.547 20.184 13.576 405 H21 DG 2 H21 DG 2 0.283 21.643 16.094 406 H22 DG 2 H22 DG 2 -0.723 20.283 15.584 407 H5' DC 3 H5' DC 3 3.875 25.513 15.864 408 H5'' DC 3 H5'' DC 3 5.577 25.510 16.334 409 H4' DC 3 H4' DC 3 4.566 23.426 16.977 410 H3' DC 3 H3' DC 3 6.765 23.470 15.058 411 H2' DC 3 H2' DC 3 5.945 21.956 13.603 412 H2'' DC 3 H2'' DC 3 5.963 20.734 14.880 413 H1' DC 3 H1' DC 3 3.761 20.977 15.412 414 H41 DC 3 H41 DC 3 1.459 21.555 9.231 415 H42 DC 3 H42 DC 3 0.842 20.065 9.965 416 H5 DC 3 H5 DC 3 3.106 22.951 10.387 417 H6 DC 3 H6 DC 3 4.258 23.261 12.569 418 H5' DA 4 H5' DA 4 6.134 19.676 17.437 419 H5'' DA 4 H5'' DA 4 7.613 18.985 18.105 420 H4' DA 4 H4' DA 4 6.293 17.208 17.286 421 H3' DA 4 H3' DA 4 8.874 17.672 16.112 422 H2' DA 4 H2' DA 4 8.062 17.995 13.994 423 H2'' DA 4 H2'' DA 4 8.020 16.232 13.910 424 H1' DA 4 H1' DA 4 5.741 16.112 14.612 425 H8 DA 4 H8 DA 4 6.733 19.401 12.934 426 H61 DA 4 H61 DA 4 2.307 17.886 8.764 427 H62 DA 4 H62 DA 4 3.442 19.144 9.224 428 H2 DA 4 H2 DA 4 2.579 14.662 11.668 429 H5' DT 5 H5' DT 5 7.041 13.365 15.612 430 H5'' DT 5 H5'' DT 5 8.293 12.138 15.835 431 H4' DT 5 H4' DT 5 6.845 11.456 14.044 432 H3' DT 5 H3' DT 5 9.658 11.877 13.584 433 H2' DT 5 H2' DT 5 9.408 13.389 11.911 434 H2'' DT 5 H2'' DT 5 8.994 12.004 10.885 435 H1' DT 5 H1' DT 5 6.678 12.208 11.258 436 H3 DT 5 H3 DT 5 5.084 15.449 8.548 437 H71 DT 5 H71 DT 5 8.099 18.558 10.718 438 H72 DT 5 H72 DT 5 9.390 17.447 11.234 439 H73 DT 5 H73 DT 5 9.170 17.836 9.514 440 H6 DT 5 H6 DT 5 8.677 15.345 11.767 441 H5' DA 6 H5' DA 6 7.239 8.882 10.695 442 H5'' DA 6 H5'' DA 6 8.282 7.462 10.580 443 H4' DA 6 H4' DA 6 7.060 7.618 8.581 444 H3' DA 6 H3' DA 6 9.855 7.543 8.474 445 H2' DA 6 H2' DA 6 10.224 9.724 7.891 446 H2'' DA 6 H2'' DA 6 9.928 9.167 6.259 447 H1' DA 6 H1' DA 6 7.738 9.907 6.195 448 H8 DA 6 H8 DA 6 9.954 11.590 8.845 449 H61 DA 6 H61 DA 6 7.947 16.874 6.164 450 H62 DA 6 H62 DA 6 9.117 16.224 7.312 451 H2 DA 6 H2 DA 6 5.721 13.579 4.423 452 H5' DT 7 H5' DT 7 7.110 7.639 5.017 453 H5'' DT 7 H5'' DT 7 7.415 6.525 3.685 454 H4' DT 7 H4' DT 7 6.374 8.590 2.919 455 H3' DT 7 H3' DT 7 8.728 7.514 1.775 456 H2' DT 7 H2' DT 7 10.086 9.269 2.506 457 H2'' DT 7 H2'' DT 7 9.521 10.017 0.993 458 H1' DT 7 H1' DT 7 7.648 11.066 2.060 459 H3 DT 7 H3 DT 7 9.589 14.917 3.372 460 H71 DT 7 H71 DT 7 11.898 12.376 6.786 461 H72 DT 7 H72 DT 7 12.100 10.821 5.949 462 H73 DT 7 H73 DT 7 13.023 12.249 5.433 463 H6 DT 7 H6 DT 7 10.402 10.292 4.424 464 H5' DA 8 H5' DA 8 7.394 10.744 -1.433 465 H5'' DA 8 H5'' DA 8 7.507 9.894 -2.971 466 H4' DA 8 H4' DA 8 8.711 11.856 -3.316 467 H3' DA 8 H3' DA 8 10.439 9.490 -3.041 468 H2' DA 8 H2' DA 8 11.814 10.462 -1.522 469 H2'' DA 8 H2'' DA 8 12.414 11.449 -2.887 470 H1' DA 8 H1' DA 8 10.950 13.224 -2.442 471 H8 DA 8 H8 DA 8 11.525 11.047 0.787 472 H61 DA 8 H61 DA 8 13.183 16.657 3.116 473 H62 DA 8 H62 DA 8 12.938 14.996 3.642 474 H2 DA 8 H2 DA 8 12.133 17.206 -0.935 475 H5' DT 9 H5' DT 9 11.046 13.085 -5.973 476 H5'' DT 9 H5'' DT 9 11.772 12.466 -7.471 477 H4' DT 9 H4' DT 9 12.342 14.779 -7.237 478 H3' DT 9 H3' DT 9 14.334 12.791 -7.442 479 H2' DT 9 H2' DT 9 15.241 13.011 -5.395 480 H2'' DT 9 H2'' DT 9 16.085 14.412 -6.049 481 H1' DT 9 H1' DT 9 14.536 15.961 -5.276 482 H3 DT 9 H3 DT 9 15.295 16.500 -0.868 483 H71 DT 9 H71 DT 9 14.265 11.841 -0.214 484 H72 DT 9 H72 DT 9 14.609 11.166 -1.821 485 H73 DT 9 H73 DT 9 15.934 11.698 -0.764 486 H6 DT 9 H6 DT 9 14.237 12.643 -3.574 487 H5' DG 10 H5' DG 10 15.258 17.323 -7.661 488 H5'' DG 10 H5'' DG 10 16.195 17.615 -9.127 489 H4' DG 10 H4' DG 10 16.797 19.301 -7.605 490 H3' DG 10 H3' DG 10 18.747 17.582 -8.641 491 H2' DG 10 H2' DG 10 19.038 16.367 -6.671 492 H2'' DG 10 H2'' DG 10 20.248 17.619 -6.349 493 H1' DG 10 H1' DG 10 18.723 18.946 -5.084 494 H8 DG 10 H8 DG 10 17.960 15.196 -5.150 495 H1 DG 10 H1 DG 10 19.005 17.698 0.700 496 H21 DG 10 H21 DG 10 19.452 20.599 -1.074 497 H22 DG 10 H22 DG 10 19.528 19.776 0.486 498 H5' DC 11 H5' DC 11 20.069 21.515 -6.292 499 H5'' DC 11 H5'' DC 11 21.231 22.322 -7.349 500 H4' DC 11 H4' DC 11 21.685 22.975 -5.115 501 H3' DC 11 H3' DC 11 23.661 21.830 -6.714 502 H2' DC 11 H2' DC 11 23.807 19.790 -5.662 503 H2'' DC 11 H2'' DC 11 24.887 20.630 -4.546 504 H1' DC 11 H1' DC 11 23.248 21.038 -2.970 505 H41 DC 11 H41 DC 11 21.162 14.766 -2.683 506 H42 DC 11 H42 DC 11 21.420 15.372 -1.043 507 H5 DC 11 H5 DC 11 21.592 16.149 -4.627 508 H6 DC 11 H6 DC 11 22.238 18.439 -5.340 509 H5' DG 12 H5' DG 12 25.474 23.184 -2.671 510 H5'' DG 12 H5'' DG 12 27.114 23.830 -2.817 511 H4' DG 12 H4' DG 12 27.095 22.219 -1.050 512 H3' DG 12 H3' DG 12 28.484 21.269 -3.543 513 HO3' DG 12 H3T DG 12 30.308 21.530 -2.135 514 H2' DG 12 H2' DG 12 28.449 19.118 -2.897 515 H2'' DG 12 H2'' DG 12 28.942 19.513 -1.229 516 H1' DG 12 H1' DG 12 26.797 19.627 -0.454 517 H8 DG 12 H8 DG 12 26.223 18.611 -4.114 518 H1 DG 12 H1 DG 12 24.461 14.308 0.357 519 H21 DG 12 H21 DG 12 25.799 16.650 2.501 520 H22 DG 12 H22 DG 12 25.145 15.024 2.326 521 H5' DC 13 H5' DC 13 24.430 7.650 5.506 522 H5'' DC 13 H5'' DC 13 23.721 7.802 7.107 523 H4' DC 13 H4' DC 13 25.192 9.660 6.708 524 H3' DC 13 H3' DC 13 22.525 9.944 7.467 525 H2' DC 13 H2' DC 13 21.742 10.814 5.452 526 H2'' DC 13 H2'' DC 13 22.278 12.353 6.158 527 H1' DC 13 H1' DC 13 24.392 12.252 5.140 528 H41 DC 13 H41 DC 13 21.939 11.737 -0.976 529 H42 DC 13 H42 DC 13 23.199 12.975 -0.978 530 H5 DC 13 H5 DC 13 21.310 10.523 1.051 531 H6 DC 13 H6 DC 13 21.873 10.223 3.401 532 HO5' DC 13 H5T DC 13 22.160 7.147 5.483 533 H5' DG 14 H5' DG 14 25.280 14.109 7.821 534 H5'' DG 14 H5'' DG 14 24.905 14.539 9.488 535 H4' DG 14 H4' DG 14 25.322 16.564 8.442 536 H3' DG 14 H3' DG 14 22.811 16.173 9.562 537 H2' DG 14 H2' DG 14 21.652 15.819 7.559 538 H2'' DG 14 H2'' DG 14 21.493 17.559 7.588 539 H1' DG 14 H1' DG 14 23.254 17.926 6.127 540 H8 DG 14 H8 DG 14 21.753 14.423 5.948 541 H1 DG 14 H1 DG 14 22.285 17.464 0.292 542 H21 DG 14 H21 DG 14 23.714 19.927 2.215 543 H22 DG 14 H22 DG 14 23.173 19.412 0.613 544 H5' DC 15 H5' DC 15 23.452 20.252 7.589 545 H5'' DC 15 H5'' DC 15 22.711 21.651 8.373 546 H4' DC 15 H4' DC 15 22.379 21.721 5.976 547 H3' DC 15 H3' DC 15 19.962 21.392 7.693 548 H2' DC 15 H2' DC 15 18.742 20.427 6.075 549 H2'' DC 15 H2'' DC 15 19.118 21.725 4.921 550 H1' DC 15 H1' DC 15 20.907 20.681 4.010 551 H41 DC 15 H41 DC 15 18.191 14.679 3.579 552 H42 DC 15 H42 DC 15 18.305 15.415 1.974 553 H5 DC 15 H5 DC 15 18.775 15.965 5.607 554 H6 DC 15 H6 DC 15 19.750 18.116 6.362 555 H5' DA 16 H5' DA 16 20.211 23.856 4.021 556 H5'' DA 16 H5'' DA 16 19.606 25.503 4.183 557 H4' DA 16 H4' DA 16 19.134 24.811 1.990 558 H3' DA 16 H3' DA 16 17.002 25.510 3.737 559 H2' DA 16 H2' DA 16 16.177 23.358 3.859 560 H2'' DA 16 H2'' DA 16 15.254 23.854 2.437 561 H1' DA 16 H1' DA 16 16.896 22.978 0.910 562 H8 DA 16 H8 DA 16 16.889 21.327 4.346 563 H61 DA 16 H61 DA 16 15.573 16.091 1.164 564 H62 DA 16 H62 DA 16 16.059 16.686 2.744 565 H2 DA 16 H2 DA 16 15.344 19.412 -1.598 566 H5' DT 17 H5' DT 17 15.761 24.937 -0.680 567 H5'' DT 17 H5'' DT 17 14.739 26.260 -1.235 568 H4' DT 17 H4' DT 17 13.926 24.241 -2.188 569 H3' DT 17 H3' DT 17 12.232 25.801 -0.475 570 H2' DT 17 H2' DT 17 11.913 24.129 1.066 571 H2'' DT 17 H2'' DT 17 10.701 23.519 -0.073 572 H1' DT 17 H1' DT 17 12.268 22.104 -1.194 573 H3 DT 17 H3 DT 17 12.698 18.279 1.184 574 H71 DT 17 H71 DT 17 14.205 20.920 4.906 575 H72 DT 17 H72 DT 17 13.388 22.473 4.582 576 H73 DT 17 H73 DT 17 12.457 21.061 5.134 577 H6 DT 17 H6 DT 17 13.059 22.925 2.375 578 H5' DA 18 H5' DA 18 10.383 22.519 -2.873 579 H5'' DA 18 H5'' DA 18 9.045 23.091 -3.870 580 H4' DA 18 H4' DA 18 8.392 20.973 -3.222 581 H3' DA 18 H3' DA 18 6.903 23.099 -1.864 582 H2' DA 18 H2' DA 18 7.350 22.297 0.204 583 H2'' DA 18 H2'' DA 18 6.079 21.108 -0.174 584 H1' DA 18 H1' DA 18 7.636 19.506 -0.927 585 H8 DA 18 H8 DA 18 8.903 21.914 1.787 586 H61 DA 18 H61 DA 18 10.615 16.495 4.536 587 H62 DA 18 H62 DA 18 10.504 18.224 4.872 588 H2 DA 18 H2 DA 18 9.341 15.627 0.565 589 H5' DT 19 H5' DT 19 5.667 18.778 -2.395 590 H5'' DT 19 H5'' DT 19 4.126 18.743 -3.258 591 H4' DT 19 H4' DT 19 3.834 16.970 -1.769 592 H3' DT 19 H3' DT 19 2.294 19.293 -1.112 593 H2' DT 19 H2' DT 19 3.650 19.875 0.669 594 H2'' DT 19 H2'' DT 19 2.472 18.836 1.526 595 H1' DT 19 H1' DT 19 3.821 16.844 1.115 596 H3 DT 19 H3 DT 19 6.672 16.399 4.517 597 H71 DT 19 H71 DT 19 7.580 21.107 4.359 598 H72 DT 19 H72 DT 19 6.406 21.680 3.151 599 H73 DT 19 H73 DT 19 5.890 21.267 4.809 600 H6 DT 19 H6 DT 19 5.345 20.132 1.779 601 H5' DA 20 H5' DA 20 -1.387 15.357 -0.122 602 H5'' DA 20 H5'' DA 20 -0.121 16.173 0.772 603 H4' DA 20 H4' DA 20 0.098 13.231 0.039 604 H3' DA 20 H3' DA 20 -1.891 14.290 1.637 605 H2' DA 20 H2' DA 20 -0.506 15.472 3.057 606 H2'' DA 20 H2'' DA 20 -0.560 13.968 3.993 607 H1' DA 20 H1' DA 20 1.488 13.171 3.147 608 H8 DA 20 H8 DA 20 1.574 16.929 2.208 609 H61 DA 20 H61 DA 20 4.934 17.619 7.405 610 H62 DA 20 H62 DA 20 4.187 18.511 6.081 611 H2 DA 20 H2 DA 20 3.816 13.466 7.131 612 H5' DT 21 H5' DT 21 0.073 11.159 4.311 613 H5'' DT 21 H5'' DT 21 -1.142 9.879 4.320 614 H4' DT 21 H4' DT 21 -0.270 9.725 6.449 615 H3' DT 21 H3' DT 21 -2.908 10.521 6.304 616 H2' DT 21 H2' DT 21 -2.631 12.761 6.752 617 H2'' DT 21 H2'' DT 21 -2.726 12.206 8.435 618 H1' DT 21 H1' DT 21 -0.464 12.131 8.744 619 H3 DT 21 H3 DT 21 1.705 16.031 9.031 620 H71 DT 21 H71 DT 21 -1.813 16.397 4.873 621 H72 DT 21 H72 DT 21 -1.495 17.787 5.931 622 H73 DT 21 H73 DT 21 -0.263 17.283 4.772 623 H6 DT 21 H6 DT 21 -1.551 14.343 5.887 624 H5' DG 22 H5' DG 22 -1.224 9.798 10.582 625 H5'' DG 22 H5'' DG 22 -2.416 8.944 11.581 626 H4' DG 22 H4' DG 22 -1.348 10.546 12.967 627 H3' DG 22 H3' DG 22 -4.169 10.821 12.502 628 H2' DG 22 H2' DG 22 -3.938 12.866 11.437 629 H2'' DG 22 H2'' DG 22 -3.944 13.492 13.103 630 H1' DG 22 H1' DG 22 -1.548 13.394 13.248 631 H8 DG 22 H8 DG 22 -2.991 14.074 9.758 632 H1 DG 22 H1 DG 22 0.881 18.640 12.175 633 H21 DG 22 H21 DG 22 1.084 16.448 14.821 634 H22 DG 22 H22 DG 22 1.553 18.013 14.147 635 H5' DC 23 H5' DC 23 -1.758 12.495 16.210 636 H5'' DC 23 H5'' DC 23 -2.696 12.020 17.627 637 H4' DC 23 H4' DC 23 -1.358 13.871 18.238 638 H3' DC 23 H3' DC 23 -4.134 13.936 18.522 639 H2' DC 23 H2' DC 23 -4.616 15.462 16.873 640 H2'' DC 23 H2'' DC 23 -4.220 16.668 18.078 641 H1' DC 23 H1' DC 23 -2.040 16.969 17.353 642 H41 DC 23 H41 DC 23 -3.977 17.900 11.090 643 H42 DC 23 H42 DC 23 -2.962 19.255 11.593 644 H5 DC 23 H5 DC 23 -4.486 16.053 12.597 645 H6 DC 23 H6 DC 23 -4.010 15.158 14.867 646 H5' DG 24 H5' DG 24 -2.311 17.709 20.466 647 H5'' DG 24 H5'' DG 24 -3.164 18.209 21.930 648 H4' DG 24 H4' DG 24 -2.938 20.113 20.517 649 H3' DG 24 H3' DG 24 -5.748 19.026 20.557 650 HO3' DG 24 H3T DG 24 -6.043 20.969 21.801 651 H2' DG 24 H2' DG 24 -6.354 20.246 18.772 652 H2'' DG 24 H2'' DG 24 -5.510 21.710 19.363 653 H1' DG 24 H1' DG 24 -3.580 21.237 18.237 654 H8 DG 24 H8 DG 24 -5.830 18.353 17.076 655 H1 DG 24 H1 DG 24 -4.232 22.741 12.615 656 H21 DG 24 H21 DG 24 -2.567 24.163 15.287 657 H22 DG 24 H22 DG 24 -3.069 24.338 13.603 Start of MODEL 7 1 H ALA 79 H1 ALA 79 -1.706 6.066 9.054 2 HA ALA 79 HA ALA 79 1.209 5.621 9.378 3 HB1 ALA 79 HB1 ALA 79 -0.070 3.527 9.240 4 HB2 ALA 79 HB2 ALA 79 -0.983 4.149 7.851 5 HB3 ALA 79 HB3 ALA 79 0.765 3.803 7.696 6 H ARG 80 H ARG 80 2.464 5.900 7.508 7 HA ARG 80 HA ARG 80 1.885 8.204 5.858 8 HB2 ARG 80 HB2 ARG 80 4.106 6.136 5.803 9 HB3 ARG 80 HB3 ARG 80 4.080 7.558 4.754 10 HG2 ARG 80 HG2 ARG 80 3.791 7.847 7.759 11 HG3 ARG 80 HG3 ARG 80 5.387 7.687 7.022 12 HD2 ARG 80 HD2 ARG 80 5.200 9.741 5.874 13 HD3 ARG 80 HD3 ARG 80 3.446 9.775 6.029 14 HE ARG 80 HE ARG 80 5.449 10.463 8.118 15 HH11 ARG 80 HH12 ARG 80 2.005 10.357 7.295 16 HH12 ARG 80 HH11 ARG 80 1.634 11.398 8.638 17 HH21 ARG 80 HH22 ARG 80 4.729 11.951 9.663 18 HH22 ARG 80 HH21 ARG 80 3.010 12.145 9.917 19 H LYS 81 H LYS 81 -0.268 7.115 5.250 20 HA LYS 81 HA LYS 81 -0.666 5.184 3.279 21 HB2 LYS 81 HB2 LYS 81 -2.163 7.718 4.071 22 HB3 LYS 81 HB3 LYS 81 -2.797 6.591 2.885 23 HG2 LYS 81 HG2 LYS 81 -3.287 4.958 4.414 24 HG3 LYS 81 HG3 LYS 81 -2.001 5.419 5.543 25 HD2 LYS 81 HD2 LYS 81 -3.215 7.351 6.302 26 HD3 LYS 81 HD3 LYS 81 -4.496 7.116 5.094 27 HE2 LYS 81 HE2 LYS 81 -5.235 5.067 6.116 28 HE3 LYS 81 HE3 LYS 81 -3.807 4.982 7.158 29 HZ1 LYS 81 HZ1 LYS 81 -5.863 7.129 7.362 30 HZ2 LYS 81 HZ2 LYS 81 -5.806 5.816 8.340 31 HZ3 LYS 81 HZ3 LYS 81 -4.584 6.909 8.364 32 H VAL 82 H VAL 82 -0.474 5.097 1.306 33 HA VAL 82 HA VAL 82 0.743 7.102 -0.432 34 HB VAL 82 HB VAL 82 -0.555 4.414 -1.029 35 HG11 VAL 82 HG11 VAL 82 0.985 6.282 -2.877 36 HG12 VAL 82 HG12 VAL 82 0.748 4.550 -3.193 37 HG13 VAL 82 HG13 VAL 82 -0.657 5.602 -3.073 38 HG21 VAL 82 HG21 VAL 82 1.692 3.548 -1.204 39 HG22 VAL 82 HG22 VAL 82 2.379 5.154 -0.874 40 HG23 VAL 82 HG23 VAL 82 1.460 4.287 0.389 41 H LYS 83 H LYS 83 -0.209 8.551 -1.728 42 HA LYS 83 HA LYS 83 -3.097 8.271 -2.391 43 HB2 LYS 83 HB2 LYS 83 -1.380 10.705 -1.975 44 HB3 LYS 83 HB3 LYS 83 -2.548 10.727 -3.316 45 HG2 LYS 83 HG2 LYS 83 -4.397 10.203 -1.880 46 HG3 LYS 83 HG3 LYS 83 -3.333 10.109 -0.456 47 HD2 LYS 83 HD2 LYS 83 -2.818 12.472 -0.576 48 HD3 LYS 83 HD3 LYS 83 -3.474 12.591 -2.210 49 HE2 LYS 83 HE2 LYS 83 -5.056 13.643 -0.792 50 HE3 LYS 83 HE3 LYS 83 -5.755 12.137 -1.379 51 HZ1 LYS 83 HZ1 LYS 83 -5.060 11.145 0.840 52 HZ2 LYS 83 HZ2 LYS 83 -4.612 12.619 1.349 53 HZ3 LYS 83 HZ3 LYS 83 -6.182 12.341 0.991 54 H GLN 84 H GLN 84 -3.507 7.724 -4.416 55 HA GLN 84 HA GLN 84 -1.322 7.675 -6.400 56 HB2 GLN 84 HB2 GLN 84 -2.285 5.697 -6.891 57 HB3 GLN 84 HB3 GLN 84 -3.789 6.069 -6.029 58 HG2 GLN 84 HG2 GLN 84 -4.569 7.335 -7.968 59 HG3 GLN 84 HG3 GLN 84 -3.049 6.978 -8.842 60 HE21 GLN 84 HE22 GLN 84 -2.575 4.527 -9.147 61 HE22 GLN 84 HE21 GLN 84 -3.979 3.506 -9.396 62 H TYR 85 H TYR 85 -1.550 9.000 -8.150 63 HA TYR 85 HA TYR 85 -3.856 10.911 -8.239 64 HB2 TYR 85 HB2 TYR 85 -0.939 11.606 -8.789 65 HB3 TYR 85 HB3 TYR 85 -2.314 12.697 -8.915 66 HD1 TYR 85 HD2 TYR 85 -3.496 13.503 -6.917 67 HD2 TYR 85 HD1 TYR 85 0.113 11.169 -6.626 68 HE1 TYR 85 HE2 TYR 85 -3.141 14.367 -4.607 69 HE2 TYR 85 HE1 TYR 85 0.476 12.006 -4.317 70 HH TYR 85 HH TYR 85 -0.266 13.504 -2.668 71 H LYS 86 H LYS 86 -4.652 11.219 -10.337 72 HA LYS 86 HA LYS 86 -3.180 10.012 -12.645 73 HB2 LYS 86 HB2 LYS 86 -4.822 8.377 -11.934 74 HB3 LYS 86 HB3 LYS 86 -6.096 9.596 -11.845 75 HG2 LYS 86 HG2 LYS 86 -6.155 9.883 -14.235 76 HG3 LYS 86 HG3 LYS 86 -4.676 8.944 -14.462 77 HD2 LYS 86 HD2 LYS 86 -5.861 6.922 -13.548 78 HD3 LYS 86 HD3 LYS 86 -7.346 7.896 -13.426 79 HE2 LYS 86 HE2 LYS 86 -7.215 8.334 -15.893 80 HE3 LYS 86 HE3 LYS 86 -5.766 7.317 -15.980 81 HZ1 LYS 86 HZ1 LYS 86 -7.772 6.066 -16.589 82 HZ2 LYS 86 HZ2 LYS 86 -7.132 5.426 -15.235 83 HZ3 LYS 86 HZ3 LYS 86 -8.470 6.362 -15.142 84 H ASN 87 H ASN 87 -3.220 11.228 -14.457 85 HA ASN 87 HA ASN 87 -4.445 13.932 -14.170 86 HB2 ASN 87 HB2 ASN 87 -2.068 13.702 -14.328 87 HB3 ASN 87 HB3 ASN 87 -2.189 12.932 -15.910 88 HD21 ASN 87 HD21 ASN 87 -0.777 15.400 -15.185 89 HD22 ASN 87 HD22 ASN 87 -1.580 16.686 -16.079 90 HA PRO 88 HA PRO 88 -7.561 12.673 -17.274 91 HB2 PRO 88 HB2 PRO 88 -8.106 15.629 -16.961 92 HB3 PRO 88 HB3 PRO 88 -9.273 14.281 -17.075 93 HG2 PRO 88 HG2 PRO 88 -8.688 15.373 -14.663 94 HG3 PRO 88 HG3 PRO 88 -8.796 13.593 -14.829 95 HD2 PRO 88 HD2 PRO 88 -6.320 15.325 -14.770 96 HD3 PRO 88 HD3 PRO 88 -6.651 13.769 -13.950 97 H HIS 89 H HIS 89 -5.205 15.309 -17.560 98 HA HIS 89 HA HIS 89 -5.829 15.865 -20.378 99 HB2 HIS 89 HB2 HIS 89 -3.636 16.986 -18.597 100 HB3 HIS 89 HB3 HIS 89 -4.167 17.632 -20.143 101 HD1 HIS 89 HD1 HIS 89 -6.748 18.691 -20.153 102 HD2 HIS 89 HD2 HIS 89 -4.957 17.761 -16.440 103 HE1 HIS 89 HE1 HIS 89 -8.131 19.910 -18.350 104 HE2 HIS 89 HE2 HIS 89 -7.033 19.343 -16.093 105 H THR 90 H THR 90 -3.577 13.793 -18.734 106 HA THR 90 HA THR 90 -2.030 13.366 -21.274 107 HB THR 90 HB THR 90 -0.075 12.957 -19.917 108 HG1 THR 90 HG1 THR 90 -0.242 13.219 -17.647 109 HG21 THR 90 HG21 THR 90 -0.611 15.392 -20.357 110 HG22 THR 90 HG22 THR 90 -1.424 15.439 -18.773 111 HG23 THR 90 HG23 THR 90 0.320 15.115 -18.867 112 H GLY 91 H GLY 91 -3.776 11.769 -18.674 113 HA2 GLY 91 HA2 GLY 91 -4.413 9.562 -18.464 114 HA3 GLY 91 HA3 GLY 91 -3.526 9.135 -19.929 115 H GLU 92 H GLU 92 -1.548 10.867 -17.640 116 HA GLU 92 HA GLU 92 -0.046 8.469 -16.963 117 HB2 GLU 92 HB2 GLU 92 0.377 11.427 -16.561 118 HB3 GLU 92 HB3 GLU 92 1.320 10.251 -15.648 119 HG2 GLU 92 HG2 GLU 92 1.154 10.022 -18.638 120 HG3 GLU 92 HG3 GLU 92 2.268 11.166 -17.855 121 H VAL 93 H VAL 93 0.404 7.953 -14.912 122 HA VAL 93 HA VAL 93 -1.320 8.836 -12.656 123 HB VAL 93 HB VAL 93 -0.540 6.012 -13.306 124 HG11 VAL 93 HG11 VAL 93 -2.349 5.378 -11.666 125 HG12 VAL 93 HG12 VAL 93 -1.038 6.236 -10.887 126 HG13 VAL 93 HG13 VAL 93 -2.558 7.083 -11.258 127 HG21 VAL 93 HG21 VAL 93 -3.173 7.444 -13.809 128 HG22 VAL 93 HG22 VAL 93 -2.114 6.708 -15.021 129 HG23 VAL 93 HG23 VAL 93 -2.995 5.671 -13.886 130 H ILE 94 H ILE 94 -0.437 8.450 -10.641 131 HA ILE 94 HA ILE 94 2.382 7.702 -10.258 132 HB ILE 94 HB ILE 94 1.826 9.981 -8.573 133 HG12 ILE 94 HG12 ILE 94 1.872 10.823 -11.493 134 HG13 ILE 94 HG13 ILE 94 0.434 10.840 -10.456 135 HG21 ILE 94 HG21 ILE 94 4.018 10.664 -9.167 136 HG22 ILE 94 HG22 ILE 94 4.042 8.912 -9.101 137 HG23 ILE 94 HG23 ILE 94 3.978 9.730 -10.689 138 HD11 ILE 94 HD11 ILE 94 2.955 12.453 -10.027 139 HD12 ILE 94 HD12 ILE 94 1.342 13.051 -10.457 140 HD13 ILE 94 HD13 ILE 94 1.623 12.322 -8.853 141 H GLU 95 H GLU 95 2.864 7.634 -7.953 142 HA GLU 95 HA GLU 95 0.696 7.369 -5.980 143 HB2 GLU 95 HB2 GLU 95 2.541 5.168 -6.929 144 HB3 GLU 95 HB3 GLU 95 1.928 5.176 -5.252 145 HG2 GLU 95 HG2 GLU 95 -0.356 5.088 -6.007 146 HG3 GLU 95 HG3 GLU 95 0.128 5.229 -7.699 147 H THR 96 H THR 96 1.385 8.560 -4.283 148 HA THR 96 HA THR 96 4.194 8.346 -3.353 149 HB THR 96 HB THR 96 4.876 10.432 -3.736 150 HG1 THR 96 HG1 THR 96 3.637 12.258 -3.411 151 HG21 THR 96 HG21 THR 96 4.040 9.985 -6.053 152 HG22 THR 96 HG22 THR 96 2.474 10.712 -5.597 153 HG23 THR 96 HG23 THR 96 3.963 11.695 -5.630 154 H LYS 97 H LYS 97 4.460 8.934 -1.131 155 HA LYS 97 HA LYS 97 1.934 8.951 0.472 156 HB2 LYS 97 HB2 LYS 97 4.798 8.744 1.368 157 HB3 LYS 97 HB3 LYS 97 3.383 8.368 2.338 158 HG2 LYS 97 HG2 LYS 97 2.935 6.355 1.089 159 HG3 LYS 97 HG3 LYS 97 4.081 6.791 -0.180 160 HD2 LYS 97 HD2 LYS 97 5.890 6.753 1.627 161 HD3 LYS 97 HD3 LYS 97 4.736 5.884 2.639 162 HE2 LYS 97 HE2 LYS 97 4.865 3.967 1.328 163 HE3 LYS 97 HE3 LYS 97 5.045 4.888 -0.168 164 HZ1 LYS 97 HZ1 LYS 97 7.342 5.364 0.398 165 HZ2 LYS 97 HZ2 LYS 97 7.241 4.501 1.804 166 HZ3 LYS 97 HZ3 LYS 97 7.107 3.742 0.362 167 H GLY 98 H GLY 98 3.496 11.276 -1.009 168 HA2 GLY 98 HA2 GLY 98 2.881 13.618 -0.270 169 HA3 GLY 98 HA3 GLY 98 3.758 13.240 1.215 170 H GLY 99 H GLY 99 4.902 15.152 0.597 171 HA2 GLY 99 HA2 GLY 99 6.891 16.089 0.240 172 HA3 GLY 99 HA3 GLY 99 7.496 14.517 -0.256 173 H ASN 100 H ASN 100 8.577 16.697 -1.193 174 HA ASN 100 HA ASN 100 7.977 17.610 -3.807 175 HB2 ASN 100 HB2 ASN 100 9.642 18.718 -2.507 176 HB3 ASN 100 HB3 ASN 100 10.409 17.221 -2.060 177 HD21 ASN 100 HD22 ASN 100 12.261 18.615 -2.530 178 HD22 ASN 100 HD21 ASN 100 12.983 18.241 -4.082 179 H HIS 101 H HIS 101 7.250 16.115 -5.246 180 HA HIS 101 HA HIS 101 9.120 13.963 -6.120 181 HB2 HIS 101 HB2 HIS 101 7.198 13.087 -4.728 182 HB3 HIS 101 HB3 HIS 101 6.087 13.676 -5.949 183 HD1 HIS 101 HD1 HIS 101 9.028 11.086 -5.612 184 HD2 HIS 101 HD2 HIS 101 5.698 12.090 -8.039 185 HE1 HIS 101 HE1 HIS 101 8.750 9.183 -7.295 186 HE2 HIS 101 HE2 HIS 101 6.745 9.782 -8.781 187 H LYS 102 H LYS 102 9.521 13.948 -8.284 188 HA LYS 102 HA LYS 102 9.289 16.269 -9.738 189 HB2 LYS 102 HB2 LYS 102 10.872 14.402 -10.058 190 HB3 LYS 102 HB3 LYS 102 9.666 13.588 -11.070 191 HG2 LYS 102 HG2 LYS 102 9.564 15.547 -12.566 192 HG3 LYS 102 HG3 LYS 102 10.635 16.471 -11.504 193 HD2 LYS 102 HD2 LYS 102 11.402 13.917 -12.929 194 HD3 LYS 102 HD3 LYS 102 11.732 15.562 -13.516 195 HE2 LYS 102 HE2 LYS 102 13.045 16.030 -11.445 196 HE3 LYS 102 HE3 LYS 102 12.779 14.373 -10.901 197 HZ1 LYS 102 HZ1 LYS 102 14.295 15.173 -13.332 198 HZ2 LYS 102 HZ2 LYS 102 14.903 14.549 -11.933 199 HZ3 LYS 102 HZ3 LYS 102 13.981 13.613 -12.909 200 H THR 103 H THR 103 7.392 13.433 -10.957 201 HA THR 103 HA THR 103 5.938 14.952 -12.820 202 HB THR 103 HB THR 103 4.923 12.446 -11.449 203 HG1 THR 103 HG1 THR 103 5.998 11.427 -13.196 204 HG21 THR 103 HG21 THR 103 3.866 12.160 -13.799 205 HG22 THR 103 HG22 THR 103 3.167 13.405 -12.759 206 HG23 THR 103 HG23 THR 103 4.288 13.884 -14.049 207 H LEU 104 H LEU 104 5.058 14.230 -9.456 208 HA LEU 104 HA LEU 104 2.448 15.355 -9.453 209 HB2 LEU 104 HB2 LEU 104 3.413 13.828 -7.741 210 HB3 LEU 104 HB3 LEU 104 4.524 15.094 -7.225 211 HG LEU 104 HG LEU 104 2.671 16.450 -6.402 212 HD11 LEU 104 HD11 LEU 104 0.901 14.121 -7.281 213 HD12 LEU 104 HD12 LEU 104 0.378 15.471 -6.265 214 HD13 LEU 104 HD13 LEU 104 0.862 15.769 -7.941 215 HD21 LEU 104 HD21 LEU 104 2.499 13.573 -5.421 216 HD22 LEU 104 HD22 LEU 104 3.722 14.773 -4.911 217 HD23 LEU 104 HD23 LEU 104 2.013 15.019 -4.529 218 H LYS 105 H LYS 105 5.659 16.890 -8.987 219 HA LYS 105 HA LYS 105 4.573 19.499 -8.344 220 HB2 LYS 105 HB2 LYS 105 6.846 18.818 -7.655 221 HB3 LYS 105 HB3 LYS 105 7.326 18.624 -9.332 222 HG2 LYS 105 HG2 LYS 105 8.227 20.698 -8.454 223 HG3 LYS 105 HG3 LYS 105 7.094 21.019 -9.751 224 HD2 LYS 105 HD2 LYS 105 6.714 22.667 -8.095 225 HD3 LYS 105 HD3 LYS 105 5.334 21.575 -7.997 226 HE2 LYS 105 HE2 LYS 105 6.494 20.403 -6.053 227 HE3 LYS 105 HE3 LYS 105 7.798 21.594 -6.184 228 HZ1 LYS 105 HZ1 LYS 105 4.977 22.092 -5.368 229 HZ2 LYS 105 HZ2 LYS 105 6.301 22.362 -4.510 230 HZ3 LYS 105 HZ3 LYS 105 5.995 23.339 -5.795 231 H GLU 106 H GLU 106 5.386 17.896 -11.446 232 HA GLU 106 HA GLU 106 5.243 20.326 -12.972 233 HB2 GLU 106 HB2 GLU 106 4.537 17.570 -13.996 234 HB3 GLU 106 HB3 GLU 106 5.111 18.981 -14.924 235 HG2 GLU 106 HG2 GLU 106 7.256 18.751 -13.472 236 HG3 GLU 106 HG3 GLU 106 6.557 17.175 -13.022 237 H TRP 107 H TRP 107 2.934 17.779 -12.189 238 HA TRP 107 HA TRP 107 0.710 18.908 -13.591 239 HB2 TRP 107 HB2 TRP 107 0.692 17.238 -11.059 240 HB3 TRP 107 HB3 TRP 107 -0.709 17.582 -12.084 241 HD1 TRP 107 HD1 TRP 107 2.076 16.808 -14.380 242 HE1 TRP 107 HE1 TRP 107 1.993 14.369 -15.130 243 HE3 TRP 107 HE3 TRP 107 -1.391 15.029 -11.045 244 HZ2 TRP 107 HZ2 TRP 107 0.807 11.925 -14.250 245 HZ3 TRP 107 HZ3 TRP 107 -2.044 12.642 -11.108 246 HH2 TRP 107 HH2 TRP 107 -0.918 11.071 -12.676 247 H LYS 108 H LYS 108 1.844 19.618 -10.279 248 HA LYS 108 HA LYS 108 -0.289 21.480 -9.640 249 HB2 LYS 108 HB2 LYS 108 2.572 21.248 -8.605 250 HB3 LYS 108 HB3 LYS 108 1.388 22.414 -7.996 251 HG2 LYS 108 HG2 LYS 108 -0.157 20.508 -7.455 252 HG3 LYS 108 HG3 LYS 108 1.132 19.384 -7.894 253 HD2 LYS 108 HD2 LYS 108 2.632 20.574 -6.225 254 HD3 LYS 108 HD3 LYS 108 1.219 21.521 -5.716 255 HE2 LYS 108 HE2 LYS 108 0.038 19.284 -5.246 256 HE3 LYS 108 HE3 LYS 108 1.560 18.481 -5.627 257 HZ1 LYS 108 HZ1 LYS 108 1.581 18.728 -3.330 258 HZ2 LYS 108 HZ2 LYS 108 2.557 19.987 -3.833 259 HZ3 LYS 108 HZ3 LYS 108 1.027 20.284 -3.346 260 H ALA 109 H ALA 109 2.811 21.860 -11.401 261 HA ALA 109 HA ALA 109 2.722 24.717 -11.524 262 HB1 ALA 109 HB1 ALA 109 4.754 23.267 -11.939 263 HB2 ALA 109 HB2 ALA 109 4.012 22.742 -13.471 264 HB3 ALA 109 HB3 ALA 109 4.431 24.438 -13.254 265 H LYS 110 H LYS 110 1.866 22.137 -13.808 266 HA LYS 110 HA LYS 110 1.095 23.759 -15.862 267 HB2 LYS 110 HB2 LYS 110 0.833 20.826 -15.274 268 HB3 LYS 110 HB3 LYS 110 0.178 21.485 -16.792 269 HG2 LYS 110 HG2 LYS 110 2.397 22.378 -17.392 270 HG3 LYS 110 HG3 LYS 110 3.072 21.802 -15.867 271 HD2 LYS 110 HD2 LYS 110 3.731 20.189 -17.473 272 HD3 LYS 110 HD3 LYS 110 2.410 19.451 -16.572 273 HE2 LYS 110 HE2 LYS 110 1.916 18.929 -18.821 274 HE3 LYS 110 HE3 LYS 110 0.841 20.283 -18.452 275 HZ1 LYS 110 HZ1 LYS 110 1.966 20.570 -20.604 276 HZ2 LYS 110 HZ2 LYS 110 2.435 21.767 -19.599 277 HZ3 LYS 110 HZ3 LYS 110 3.441 20.507 -19.910 278 H TRP 111 H TRP 111 -0.935 22.200 -13.427 279 HA TRP 111 HA TRP 111 -3.367 23.572 -14.548 280 HB2 TRP 111 HB2 TRP 111 -3.239 20.759 -13.430 281 HB3 TRP 111 HB3 TRP 111 -4.690 21.598 -13.975 282 HD1 TRP 111 HD1 TRP 111 -4.900 22.079 -16.648 283 HE1 TRP 111 HE1 TRP 111 -3.939 20.853 -18.688 284 HE3 TRP 111 HE3 TRP 111 -1.296 19.365 -14.297 285 HZ2 TRP 111 HZ2 TRP 111 -1.822 18.937 -19.228 286 HZ3 TRP 111 HZ3 TRP 111 0.277 17.928 -15.606 287 HH2 TRP 111 HH2 TRP 111 -0.020 17.657 -18.049 288 H GLY 112 H GLY 112 -2.088 22.054 -11.520 289 HA2 GLY 112 HA2 GLY 112 -1.954 23.994 -9.803 290 HA3 GLY 112 HA3 GLY 112 -3.698 24.037 -9.930 291 HA PRO 113 HA PRO 113 -2.171 20.766 -6.753 292 HB2 PRO 113 HB2 PRO 113 -2.530 22.176 -4.391 293 HB3 PRO 113 HB3 PRO 113 -0.986 21.977 -5.254 294 HG2 PRO 113 HG2 PRO 113 -2.910 24.298 -5.360 295 HG3 PRO 113 HG3 PRO 113 -1.117 24.328 -5.247 296 HD2 PRO 113 HD2 PRO 113 -2.429 24.741 -7.595 297 HD3 PRO 113 HD3 PRO 113 -0.881 23.843 -7.537 298 H GLU 114 H GLU 114 -4.868 23.128 -6.682 299 HA GLU 114 HA GLU 114 -6.708 21.615 -5.125 300 HB2 GLU 114 HB2 GLU 114 -7.423 23.319 -7.520 301 HB3 GLU 114 HB3 GLU 114 -8.369 22.983 -6.045 302 HG2 GLU 114 HG2 GLU 114 -6.568 24.266 -4.768 303 HG3 GLU 114 HG3 GLU 114 -5.898 24.702 -6.355 304 H ALA 115 H ALA 115 -6.113 21.751 -8.562 305 HA ALA 115 HA ALA 115 -8.019 19.868 -9.495 306 HB1 ALA 115 HB1 ALA 115 -6.604 21.566 -10.818 307 HB2 ALA 115 HB2 ALA 115 -5.271 20.369 -10.731 308 HB3 ALA 115 HB3 ALA 115 -6.780 19.941 -11.542 309 H VAL 116 H VAL 116 -4.538 19.545 -8.898 310 HA VAL 116 HA VAL 116 -4.220 16.901 -9.413 311 HB VAL 116 HB VAL 116 -2.725 18.870 -7.689 312 HG11 VAL 116 HG11 VAL 116 -2.072 16.698 -6.731 313 HG12 VAL 116 HG12 VAL 116 -1.688 16.096 -8.358 314 HG13 VAL 116 HG13 VAL 116 -0.766 17.444 -7.643 315 HG21 VAL 116 HG21 VAL 116 -2.868 19.108 -10.210 316 HG22 VAL 116 HG22 VAL 116 -1.214 18.903 -9.594 317 HG23 VAL 116 HG23 VAL 116 -2.079 17.532 -10.339 318 H GLU 117 H GLU 117 -4.873 18.351 -6.189 319 HA GLU 117 HA GLU 117 -4.908 15.824 -4.766 320 HB2 GLU 117 HB2 GLU 117 -6.107 18.564 -4.138 321 HB3 GLU 117 HB3 GLU 117 -6.175 17.180 -3.048 322 HG2 GLU 117 HG2 GLU 117 -3.701 17.079 -2.991 323 HG3 GLU 117 HG3 GLU 117 -3.605 18.482 -4.054 324 H SER 118 H SER 118 -7.399 17.673 -6.547 325 HA SER 118 HA SER 118 -9.659 16.155 -5.532 326 HB2 SER 118 HB2 SER 118 -9.422 17.771 -8.100 327 HB3 SER 118 HB3 SER 118 -10.914 17.106 -7.423 328 HG SER 118 HG SER 118 -9.225 19.122 -6.377 329 H TRP 119 H TRP 119 -7.421 15.681 -8.239 330 HA TRP 119 HA TRP 119 -8.839 13.433 -9.394 331 HB2 TRP 119 HB2 TRP 119 -5.878 14.042 -9.585 332 HB3 TRP 119 HB3 TRP 119 -6.869 13.082 -10.671 333 HD1 TRP 119 HD1 TRP 119 -9.167 15.492 -10.909 334 HE1 TRP 119 HE1 TRP 119 -8.649 17.426 -12.509 335 HE3 TRP 119 HE3 TRP 119 -4.098 14.870 -11.332 336 HZ2 TRP 119 HZ2 TRP 119 -6.334 18.593 -13.768 337 HZ3 TRP 119 HZ3 TRP 119 -2.765 16.388 -12.780 338 HH2 TRP 119 HH2 TRP 119 -3.866 18.253 -13.992 339 H ALA 120 H ALA 120 -7.067 13.585 -6.397 340 HA ALA 120 HA ALA 120 -5.621 11.193 -6.697 341 HB1 ALA 120 HB1 ALA 120 -4.903 11.501 -4.476 342 HB2 ALA 120 HB2 ALA 120 -5.155 13.151 -5.103 343 HB3 ALA 120 HB3 ALA 120 -6.361 12.418 -4.028 344 H THR 121 H THR 121 -5.631 9.594 -5.198 345 HA THR 121 HA THR 121 -8.153 8.109 -4.408 346 HB THR 121 HB THR 121 -5.817 7.116 -6.064 347 HG1 THR 121 HG1 THR 121 -7.427 6.875 -7.705 348 HG21 THR 121 HG21 THR 121 -8.375 5.860 -5.013 349 HG22 THR 121 HG22 THR 121 -7.419 5.101 -6.317 350 HG23 THR 121 HG23 THR 121 -6.710 5.305 -4.707 351 H LEU 122 H LEU 122 -7.810 6.796 -2.625 352 HA LEU 122 HA LEU 122 -5.176 7.153 -1.219 353 HB2 LEU 122 HB2 LEU 122 -7.424 8.110 -0.358 354 HB3 LEU 122 HB3 LEU 122 -7.802 6.456 0.105 355 HG LEU 122 HG LEU 122 -5.371 8.083 1.001 356 HD11 LEU 122 HD11 LEU 122 -7.866 7.247 2.543 357 HD12 LEU 122 HD12 LEU 122 -6.504 8.201 3.176 358 HD13 LEU 122 HD13 LEU 122 -7.547 8.879 1.918 359 HD21 LEU 122 HD21 LEU 122 -6.257 5.279 1.765 360 HD22 LEU 122 HD22 LEU 122 -4.661 5.845 1.190 361 HD23 LEU 122 HD23 LEU 122 -5.208 6.261 2.804 362 H LEU 123 H LEU 123 -3.944 5.497 -0.979 363 HA LEU 123 HA LEU 123 -4.932 2.711 -1.418 364 HB2 LEU 123 HB2 LEU 123 -2.310 4.028 -2.248 365 HB3 LEU 123 HB3 LEU 123 -2.737 2.331 -2.484 366 HG LEU 123 HG LEU 123 -4.105 4.755 -3.749 367 HD11 LEU 123 HD11 LEU 123 -2.266 2.576 -4.832 368 HD12 LEU 123 HD12 LEU 123 -3.098 3.783 -5.824 369 HD13 LEU 123 HD13 LEU 123 -1.886 4.296 -4.623 370 HD21 LEU 123 HD21 LEU 123 -4.599 1.766 -4.173 371 HD22 LEU 123 HD22 LEU 123 -5.751 2.922 -3.476 372 HD23 LEU 123 HD23 LEU 123 -5.276 3.080 -5.171 373 H GLY 124 H GLY 124 -4.585 1.327 0.085 374 HA2 GLY 124 HA2 GLY 124 -3.389 2.092 2.620 375 HA3 GLY 124 HA3 GLY 124 -4.180 0.564 2.242 376 H HIS 125 H HIS 125 -2.056 0.453 -0.107 377 HA HIS 125 HA HIS 125 0.450 -0.125 1.285 378 HB2 HIS 125 HB2 HIS 125 0.519 -2.496 0.518 379 HB3 HIS 125 HB3 HIS 125 -0.651 -2.183 1.785 380 HD1 HIS 125 HD1 HIS 125 -1.399 -1.614 -1.946 381 HD2 HIS 125 HD2 HIS 125 -2.337 -4.154 1.285 382 HE1 HIS 125 HE1 HIS 125 -3.325 -3.174 -2.766 383 HE2 HIS 125 HE2 HIS 125 -3.882 -4.708 -0.767 384 H5' DC 1 H5' DC 1 -5.591 28.666 8.464 385 H5'' DC 1 H5'' DC 1 -4.305 29.553 7.656 386 H4' DC 1 H4' DC 1 -3.819 29.458 9.999 387 H3' DC 1 H3' DC 1 -2.058 28.496 8.049 388 H2' DC 1 H2' DC 1 -2.007 26.316 8.576 389 H2'' DC 1 H2'' DC 1 -0.945 26.757 9.896 390 H1' DC 1 H1' DC 1 -2.586 26.788 11.497 391 H41 DC 1 H41 DC 1 -5.286 21.037 9.617 392 H42 DC 1 H42 DC 1 -5.039 21.008 11.367 393 H5 DC 1 H5 DC 1 -4.666 23.012 8.254 394 H6 DC 1 H6 DC 1 -3.790 25.266 8.399 395 HO5' DC 1 H5T DC 1 -4.933 27.642 6.469 396 H5' DG 2 H5' DG 2 -0.395 28.828 12.491 397 H5'' DG 2 H5'' DG 2 1.151 29.676 12.443 398 H4' DG 2 H4' DG 2 1.347 28.090 14.155 399 H3' DG 2 H3' DG 2 3.096 27.908 11.954 400 H2' DG 2 H2' DG 2 2.141 25.979 11.092 401 H2'' DG 2 H2'' DG 2 3.300 25.196 12.183 402 H1' DG 2 H1' DG 2 1.694 24.988 13.939 403 H8 DG 2 H8 DG 2 0.265 25.053 10.388 404 H1 DG 2 H1 DG 2 -1.235 19.823 13.837 405 H21 DG 2 H21 DG 2 0.636 21.389 16.255 406 H22 DG 2 H22 DG 2 -0.290 19.960 15.782 407 H5' DC 3 H5' DC 3 3.874 25.390 15.852 408 H5'' DC 3 H5'' DC 3 5.589 25.430 16.266 409 H4' DC 3 H4' DC 3 4.643 23.340 16.965 410 H3' DC 3 H3' DC 3 6.796 23.417 15.003 411 H2' DC 3 H2' DC 3 5.999 21.860 13.578 412 H2'' DC 3 H2'' DC 3 6.062 20.649 14.867 413 H1' DC 3 H1' DC 3 3.865 20.829 15.409 414 H41 DC 3 H41 DC 3 1.493 21.355 9.255 415 H42 DC 3 H42 DC 3 0.946 19.837 9.982 416 H5 DC 3 H5 DC 3 3.058 22.839 10.422 417 H6 DC 3 H6 DC 3 4.214 23.173 12.596 418 H5' DA 4 H5' DA 4 6.251 19.619 17.365 419 H5'' DA 4 H5'' DA 4 7.737 18.990 18.076 420 H4' DA 4 H4' DA 4 6.513 17.147 17.296 421 H3' DA 4 H3' DA 4 9.071 17.689 16.108 422 H2' DA 4 H2' DA 4 8.223 18.003 13.995 423 H2'' DA 4 H2'' DA 4 8.299 16.247 13.895 424 H1' DA 4 H1' DA 4 6.021 15.970 14.612 425 H8 DA 4 H8 DA 4 6.790 19.342 12.989 426 H61 DA 4 H61 DA 4 2.551 17.603 8.740 427 H62 DA 4 H62 DA 4 3.570 18.938 9.259 428 H2 DA 4 H2 DA 4 3.066 14.310 11.527 429 H5' DT 5 H5' DT 5 7.264 13.472 15.412 430 H5'' DT 5 H5'' DT 5 8.470 12.239 15.789 431 H4' DT 5 H4' DT 5 7.215 11.451 13.950 432 H3' DT 5 H3' DT 5 10.024 11.866 13.671 433 H2' DT 5 H2' DT 5 9.834 13.483 12.048 434 H2'' DT 5 H2'' DT 5 9.675 12.109 10.942 435 H1' DT 5 H1' DT 5 7.298 12.114 11.053 436 H3 DT 5 H3 DT 5 5.609 15.282 8.316 437 H71 DT 5 H71 DT 5 9.408 17.984 9.657 438 H72 DT 5 H72 DT 5 8.181 18.578 10.778 439 H73 DT 5 H73 DT 5 9.518 17.568 11.382 440 H6 DT 5 H6 DT 5 8.997 15.391 11.765 441 H5' DA 6 H5' DA 6 7.439 9.049 10.949 442 H5'' DA 6 H5'' DA 6 8.334 7.549 10.711 443 H4' DA 6 H4' DA 6 6.883 7.844 8.868 444 H3' DA 6 H3' DA 6 9.621 7.490 8.456 445 H2' DA 6 H2' DA 6 10.117 9.660 7.916 446 H2'' DA 6 H2'' DA 6 9.693 9.142 6.288 447 H1' DA 6 H1' DA 6 7.515 10.008 6.404 448 H8 DA 6 H8 DA 6 10.044 11.587 8.827 449 H61 DA 6 H61 DA 6 8.274 16.917 6.052 450 H62 DA 6 H62 DA 6 9.455 16.242 7.173 451 H2 DA 6 H2 DA 6 5.828 13.723 4.465 452 H5' DT 7 H5' DT 7 6.781 7.955 5.103 453 H5'' DT 7 H5'' DT 7 6.888 6.793 3.784 454 H4' DT 7 H4' DT 7 6.203 8.976 2.970 455 H3' DT 7 H3' DT 7 8.490 7.626 1.899 456 H2' DT 7 H2' DT 7 9.969 9.290 2.586 457 H2'' DT 7 H2'' DT 7 9.451 10.068 1.072 458 H1' DT 7 H1' DT 7 7.648 11.237 2.168 459 H3 DT 7 H3 DT 7 9.831 14.981 3.376 460 H71 DT 7 H71 DT 7 12.062 12.368 6.775 461 H72 DT 7 H72 DT 7 12.160 10.789 5.969 462 H73 DT 7 H73 DT 7 13.155 12.150 5.402 463 H6 DT 7 H6 DT 7 10.400 10.335 4.490 464 H5' DA 8 H5' DA 8 7.396 10.819 -1.416 465 H5'' DA 8 H5'' DA 8 7.522 9.936 -2.937 466 H4' DA 8 H4' DA 8 8.787 11.855 -3.273 467 H3' DA 8 H3' DA 8 10.446 9.441 -2.905 468 H2' DA 8 H2' DA 8 11.894 10.448 -1.495 469 H2'' DA 8 H2'' DA 8 12.434 11.404 -2.899 470 H1' DA 8 H1' DA 8 11.009 13.192 -2.430 471 H8 DA 8 H8 DA 8 11.581 11.060 0.828 472 H61 DA 8 H61 DA 8 13.383 16.681 3.029 473 H62 DA 8 H62 DA 8 13.118 15.025 3.581 474 H2 DA 8 H2 DA 8 12.268 17.177 -1.010 475 H5' DT 9 H5' DT 9 11.042 12.845 -6.070 476 H5'' DT 9 H5'' DT 9 11.775 12.146 -7.521 477 H4' DT 9 H4' DT 9 12.396 14.465 -7.384 478 H3' DT 9 H3' DT 9 14.335 12.393 -7.432 479 H2' DT 9 H2' DT 9 15.288 12.785 -5.437 480 H2'' DT 9 H2'' DT 9 16.104 14.144 -6.194 481 H1' DT 9 H1' DT 9 14.554 15.728 -5.497 482 H3 DT 9 H3 DT 9 15.396 16.506 -1.125 483 H71 DT 9 H71 DT 9 16.008 11.704 -0.791 484 H72 DT 9 H72 DT 9 14.362 11.896 -0.198 485 H73 DT 9 H73 DT 9 14.648 11.132 -1.780 486 H6 DT 9 H6 DT 9 14.278 12.521 -3.610 487 H5' DG 10 H5' DG 10 15.212 16.858 -8.066 488 H5'' DG 10 H5'' DG 10 16.125 17.049 -9.565 489 H4' DG 10 H4' DG 10 16.632 18.907 -8.198 490 H3' DG 10 H3' DG 10 18.663 17.243 -9.145 491 H2' DG 10 H2' DG 10 19.054 16.172 -7.116 492 H2'' DG 10 H2'' DG 10 20.192 17.502 -6.896 493 H1' DG 10 H1' DG 10 18.652 18.810 -5.655 494 H8 DG 10 H8 DG 10 18.008 15.040 -5.572 495 H1 DG 10 H1 DG 10 19.096 17.737 0.174 496 H21 DG 10 H21 DG 10 19.496 20.581 -1.702 497 H22 DG 10 H22 DG 10 19.608 19.813 -0.115 498 H5' DC 11 H5' DC 11 19.862 21.285 -6.929 499 H5'' DC 11 H5'' DC 11 20.953 22.112 -8.038 500 H4' DC 11 H4' DC 11 21.458 22.833 -5.838 501 H3' DC 11 H3' DC 11 23.423 21.723 -7.475 502 H2' DC 11 H2' DC 11 23.684 19.716 -6.380 503 H2'' DC 11 H2'' DC 11 24.760 20.623 -5.317 504 H1' DC 11 H1' DC 11 23.155 21.000 -3.701 505 H41 DC 11 H41 DC 11 21.223 14.699 -3.211 506 H42 DC 11 H42 DC 11 21.513 15.347 -1.592 507 H5 DC 11 H5 DC 11 21.605 16.028 -5.201 508 H6 DC 11 H6 DC 11 22.175 18.316 -5.982 509 H5' DG 12 H5' DG 12 25.313 23.230 -3.527 510 H5'' DG 12 H5'' DG 12 26.916 23.936 -3.739 511 H4' DG 12 H4' DG 12 27.017 22.366 -1.944 512 H3' DG 12 H3' DG 12 28.363 21.409 -4.457 513 HO3' DG 12 H3T DG 12 30.216 21.781 -3.117 514 H2' DG 12 H2' DG 12 28.422 19.273 -3.761 515 H2'' DG 12 H2'' DG 12 28.960 19.724 -2.125 516 H1' DG 12 H1' DG 12 26.843 19.783 -1.272 517 H8 DG 12 H8 DG 12 26.187 18.659 -4.887 518 H1 DG 12 H1 DG 12 24.667 14.422 -0.260 519 H21 DG 12 H21 DG 12 25.970 16.865 1.793 520 H22 DG 12 H22 DG 12 25.365 15.214 1.673 521 H5' DC 13 H5' DC 13 24.871 7.869 4.974 522 H5'' DC 13 H5'' DC 13 24.204 8.027 6.594 523 H4' DC 13 H4' DC 13 25.636 9.898 6.145 524 H3' DC 13 H3' DC 13 22.998 10.164 6.975 525 H2' DC 13 H2' DC 13 22.140 10.986 4.972 526 H2'' DC 13 H2'' DC 13 22.666 12.545 5.643 527 H1' DC 13 H1' DC 13 24.746 12.473 4.559 528 H41 DC 13 H41 DC 13 22.132 11.785 -1.472 529 H42 DC 13 H42 DC 13 23.355 13.058 -1.528 530 H5 DC 13 H5 DC 13 21.582 10.595 0.598 531 H6 DC 13 H6 DC 13 22.227 10.353 2.935 532 HO5' DC 13 H5T DC 13 22.602 7.340 5.029 533 H5' DG 14 H5' DG 14 25.698 14.360 7.160 534 H5'' DG 14 H5'' DG 14 25.370 14.832 8.824 535 H4' DG 14 H4' DG 14 25.726 16.825 7.708 536 H3' DG 14 H3' DG 14 23.265 16.441 8.934 537 H2' DG 14 H2' DG 14 22.036 16.032 6.989 538 H2'' DG 14 H2'' DG 14 21.855 17.769 6.988 539 H1' DG 14 H1' DG 14 23.563 18.119 5.452 540 H8 DG 14 H8 DG 14 22.084 14.599 5.407 541 H1 DG 14 H1 DG 14 22.378 17.510 -0.331 542 H21 DG 14 H21 DG 14 23.836 20.039 1.482 543 H22 DG 14 H22 DG 14 23.246 19.476 -0.087 544 H5' DC 15 H5' DC 15 23.805 20.464 6.840 545 H5'' DC 15 H5'' DC 15 23.095 21.881 7.613 546 H4' DC 15 H4' DC 15 22.658 21.892 5.234 547 H3' DC 15 H3' DC 15 20.313 21.586 7.058 548 H2' DC 15 H2' DC 15 19.036 20.601 5.494 549 H2'' DC 15 H2'' DC 15 19.375 21.879 4.310 550 H1' DC 15 H1' DC 15 21.127 20.807 3.353 551 H41 DC 15 H41 DC 15 18.427 14.791 3.155 552 H42 DC 15 H42 DC 15 18.464 15.491 1.530 553 H5 DC 15 H5 DC 15 19.088 16.116 5.118 554 H6 DC 15 H6 DC 15 20.067 18.290 5.796 555 H5' DA 16 H5' DA 16 20.443 24.008 3.353 556 H5'' DA 16 H5'' DA 16 19.846 25.658 3.511 557 H4' DA 16 H4' DA 16 19.317 24.927 1.339 558 H3' DA 16 H3' DA 16 17.246 25.689 3.118 559 H2' DA 16 H2' DA 16 16.403 23.546 3.339 560 H2'' DA 16 H2'' DA 16 15.441 24.004 1.932 561 H1' DA 16 H1' DA 16 17.014 23.058 0.380 562 H8 DA 16 H8 DA 16 17.112 21.538 3.875 563 H61 DA 16 H61 DA 16 15.675 16.191 0.945 564 H62 DA 16 H62 DA 16 16.181 16.847 2.495 565 H2 DA 16 H2 DA 16 15.443 19.386 -1.957 566 H5' DT 17 H5' DT 17 15.778 24.963 -1.161 567 H5'' DT 17 H5'' DT 17 14.695 26.235 -1.741 568 H4' DT 17 H4' DT 17 13.826 24.140 -2.452 569 H3' DT 17 H3' DT 17 12.262 25.755 -0.633 570 H2' DT 17 H2' DT 17 12.009 24.089 0.911 571 H2'' DT 17 H2'' DT 17 10.785 23.426 -0.188 572 H1' DT 17 H1' DT 17 12.368 22.059 -1.343 573 H3 DT 17 H3 DT 17 12.841 18.277 1.094 574 H71 DT 17 H71 DT 17 13.655 22.525 4.398 575 H72 DT 17 H72 DT 17 12.754 21.118 4.996 576 H73 DT 17 H73 DT 17 14.494 20.984 4.716 577 H6 DT 17 H6 DT 17 13.284 22.941 2.186 578 H5' DA 18 H5' DA 18 10.302 22.468 -2.860 579 H5'' DA 18 H5'' DA 18 8.955 23.038 -3.839 580 H4' DA 18 H4' DA 18 8.279 20.941 -3.168 581 H3' DA 18 H3' DA 18 6.852 23.090 -1.784 582 H2' DA 18 H2' DA 18 7.316 22.295 0.274 583 H2'' DA 18 H2'' DA 18 6.040 21.107 -0.072 584 H1' DA 18 H1' DA 18 7.575 19.489 -0.817 585 H8 DA 18 H8 DA 18 8.887 21.933 1.844 586 H61 DA 18 H61 DA 18 10.907 16.558 4.489 587 H62 DA 18 H62 DA 18 10.767 18.284 4.844 588 H2 DA 18 H2 DA 18 9.496 15.661 0.584 589 H5' DT 19 H5' DT 19 5.592 18.789 -2.308 590 H5'' DT 19 H5'' DT 19 4.034 18.756 -3.137 591 H4' DT 19 H4' DT 19 3.806 16.962 -1.659 592 H3' DT 19 H3' DT 19 2.234 19.259 -0.973 593 H2' DT 19 H2' DT 19 3.562 19.843 0.821 594 H2'' DT 19 H2'' DT 19 2.424 18.743 1.660 595 H1' DT 19 H1' DT 19 3.841 16.817 1.229 596 H3 DT 19 H3 DT 19 6.865 16.439 4.500 597 H71 DT 19 H71 DT 19 5.966 21.249 4.924 598 H72 DT 19 H72 DT 19 7.619 21.172 4.336 599 H73 DT 19 H73 DT 19 6.329 21.723 3.245 600 H6 DT 19 H6 DT 19 5.268 20.143 1.885 601 H5' DA 20 H5' DA 20 -1.427 15.405 0.044 602 H5'' DA 20 H5'' DA 20 -0.103 16.166 0.910 603 H4' DA 20 H4' DA 20 -0.003 13.234 0.133 604 H3' DA 20 H3' DA 20 -1.941 14.353 1.775 605 H2' DA 20 H2' DA 20 -0.506 15.389 3.245 606 H2'' DA 20 H2'' DA 20 -0.614 13.842 4.099 607 H1' DA 20 H1' DA 20 1.405 13.031 3.239 608 H8 DA 20 H8 DA 20 1.594 16.815 2.401 609 H61 DA 20 H61 DA 20 5.174 17.298 7.452 610 H62 DA 20 H62 DA 20 4.402 18.202 6.150 611 H2 DA 20 H2 DA 20 3.897 13.155 7.172 612 H5' DT 21 H5' DT 21 -0.208 11.020 4.154 613 H5'' DT 21 H5'' DT 21 -1.458 9.785 4.164 614 H4' DT 21 H4' DT 21 -0.480 9.518 6.239 615 H3' DT 21 H3' DT 21 -3.105 10.387 6.287 616 H2' DT 21 H2' DT 21 -2.713 12.602 6.818 617 H2'' DT 21 H2'' DT 21 -2.744 11.963 8.480 618 H1' DT 21 H1' DT 21 -0.458 11.751 8.636 619 H3 DT 21 H3 DT 21 1.955 15.556 9.004 620 H71 DT 21 H71 DT 21 -1.383 17.619 6.229 621 H72 DT 21 H72 DT 21 -0.238 17.132 4.979 622 H73 DT 21 H73 DT 21 -1.812 16.308 5.114 623 H6 DT 21 H6 DT 21 -1.609 14.204 6.016 624 H5' DG 22 H5' DG 22 -0.944 9.486 10.284 625 H5'' DG 22 H5'' DG 22 -1.998 8.602 11.411 626 H4' DG 22 H4' DG 22 -0.719 10.136 12.688 627 H3' DG 22 H3' DG 22 -3.574 10.379 12.649 628 H2' DG 22 H2' DG 22 -3.513 12.465 11.609 629 H2'' DG 22 H2'' DG 22 -3.338 13.035 13.293 630 H1' DG 22 H1' DG 22 -0.934 12.966 13.145 631 H8 DG 22 H8 DG 22 -2.789 13.774 9.884 632 H1 DG 22 H1 DG 22 1.147 18.370 12.138 633 H21 DG 22 H21 DG 22 1.634 16.087 14.665 634 H22 DG 22 H22 DG 22 1.950 17.711 14.046 635 H5' DC 23 H5' DC 23 -0.739 12.062 16.075 636 H5'' DC 23 H5'' DC 23 -1.460 11.457 17.565 637 H4' DC 23 H4' DC 23 -0.174 13.353 18.123 638 H3' DC 23 H3' DC 23 -2.899 13.248 18.724 639 H2' DC 23 H2' DC 23 -3.642 14.818 17.216 640 H2'' DC 23 H2'' DC 23 -3.174 15.991 18.429 641 H1' DC 23 H1' DC 23 -1.113 16.454 17.471 642 H41 DC 23 H41 DC 23 -3.743 17.447 11.472 643 H42 DC 23 H42 DC 23 -2.756 18.841 11.924 644 H5 DC 23 H5 DC 23 -4.001 15.535 12.973 645 H6 DC 23 H6 DC 23 -3.250 14.611 15.153 646 H5' DG 24 H5' DG 24 -1.119 17.058 20.645 647 H5'' DG 24 H5'' DG 24 -1.844 17.431 22.213 648 H4' DG 24 H4' DG 24 -1.903 19.403 20.894 649 H3' DG 24 H3' DG 24 -4.612 18.108 21.146 650 HO3' DG 24 H3T DG 24 -4.917 19.953 22.518 651 H2' DG 24 H2' DG 24 -5.477 19.363 19.497 652 H2'' DG 24 H2'' DG 24 -4.687 20.854 20.079 653 H1' DG 24 H1' DG 24 -2.849 20.588 18.752 654 H8 DG 24 H8 DG 24 -4.984 17.591 17.658 655 H1 DG 24 H1 DG 24 -4.108 22.256 13.275 656 H21 DG 24 H21 DG 24 -2.337 23.713 15.856 657 H22 DG 24 H22 DG 24 -2.962 23.887 14.218 Start of MODEL 8 1 H ALA 79 H1 ALA 79 -1.701 6.860 9.025 2 HA ALA 79 HA ALA 79 1.146 6.101 9.375 3 HB1 ALA 79 HB1 ALA 79 -0.396 4.181 9.452 4 HB2 ALA 79 HB2 ALA 79 -1.224 4.763 7.996 5 HB3 ALA 79 HB3 ALA 79 0.462 4.183 7.896 6 H ARG 80 H ARG 80 2.400 6.021 7.487 7 HA ARG 80 HA ARG 80 2.099 8.208 5.630 8 HB2 ARG 80 HB2 ARG 80 4.074 5.907 5.818 9 HB3 ARG 80 HB3 ARG 80 4.219 7.211 4.631 10 HG2 ARG 80 HG2 ARG 80 3.951 7.796 7.588 11 HG3 ARG 80 HG3 ARG 80 5.522 7.466 6.860 12 HD2 ARG 80 HD2 ARG 80 5.588 9.480 5.754 13 HD3 ARG 80 HD3 ARG 80 3.853 9.513 5.483 14 HE ARG 80 HE ARG 80 5.286 10.332 7.981 15 HH11 ARG 80 HH11 ARG 80 2.411 10.598 6.004 16 HH12 ARG 80 HH12 ARG 80 1.548 11.529 7.170 17 HH21 ARG 80 HH22 ARG 80 4.244 11.875 9.237 18 HH22 ARG 80 HH21 ARG 80 2.561 12.239 8.963 19 H LYS 81 H LYS 81 -0.170 7.234 5.151 20 HA LYS 81 HA LYS 81 -0.692 5.197 3.268 21 HB2 LYS 81 HB2 LYS 81 -2.077 7.816 4.031 22 HB3 LYS 81 HB3 LYS 81 -2.787 6.667 2.899 23 HG2 LYS 81 HG2 LYS 81 -3.179 5.046 4.519 24 HG3 LYS 81 HG3 LYS 81 -1.955 5.683 5.639 25 HD2 LYS 81 HD2 LYS 81 -3.293 7.575 6.214 26 HD3 LYS 81 HD3 LYS 81 -4.512 7.207 4.980 27 HE2 LYS 81 HE2 LYS 81 -5.219 5.205 6.107 28 HE3 LYS 81 HE3 LYS 81 -3.821 5.222 7.191 29 HZ1 LYS 81 HZ1 LYS 81 -5.875 6.049 8.267 30 HZ2 LYS 81 HZ2 LYS 81 -4.680 7.175 8.276 31 HZ3 LYS 81 HZ3 LYS 81 -5.933 7.319 7.232 32 H VAL 82 H VAL 82 -0.436 5.041 1.313 33 HA VAL 82 HA VAL 82 0.813 6.999 -0.453 34 HB VAL 82 HB VAL 82 -0.498 4.314 -1.034 35 HG11 VAL 82 HG11 VAL 82 1.067 6.173 -2.883 36 HG12 VAL 82 HG12 VAL 82 0.860 4.435 -3.185 37 HG13 VAL 82 HG13 VAL 82 -0.567 5.469 -3.098 38 HG21 VAL 82 HG21 VAL 82 1.495 4.217 0.429 39 HG22 VAL 82 HG22 VAL 82 1.734 3.431 -1.141 40 HG23 VAL 82 HG23 VAL 82 2.436 5.037 -0.852 41 H LYS 83 H LYS 83 -0.108 8.386 -1.811 42 HA LYS 83 HA LYS 83 -3.015 8.190 -2.422 43 HB2 LYS 83 HB2 LYS 83 -1.218 10.573 -2.064 44 HB3 LYS 83 HB3 LYS 83 -2.390 10.612 -3.398 45 HG2 LYS 83 HG2 LYS 83 -4.251 10.224 -1.966 46 HG3 LYS 83 HG3 LYS 83 -3.203 10.067 -0.532 47 HD2 LYS 83 HD2 LYS 83 -2.470 12.359 -0.723 48 HD3 LYS 83 HD3 LYS 83 -3.242 12.547 -2.307 49 HE2 LYS 83 HE2 LYS 83 -5.379 12.653 -1.464 50 HE3 LYS 83 HE3 LYS 83 -4.940 11.873 0.077 51 HZ1 LYS 83 HZ1 LYS 83 -5.275 14.329 0.229 52 HZ2 LYS 83 HZ2 LYS 83 -3.840 13.812 0.779 53 HZ3 LYS 83 HZ3 LYS 83 -3.948 14.558 -0.714 54 H GLN 84 H GLN 84 -3.447 7.589 -4.424 55 HA GLN 84 HA GLN 84 -1.286 7.518 -6.434 56 HB2 GLN 84 HB2 GLN 84 -2.260 5.538 -6.912 57 HB3 GLN 84 HB3 GLN 84 -3.751 5.909 -6.032 58 HG2 GLN 84 HG2 GLN 84 -4.553 7.179 -7.958 59 HG3 GLN 84 HG3 GLN 84 -3.044 6.828 -8.850 60 HE21 GLN 84 HE21 GLN 84 -2.571 4.374 -9.180 61 HE22 GLN 84 HE22 GLN 84 -3.976 3.354 -9.407 62 H TYR 85 H TYR 85 -1.533 8.873 -8.166 63 HA TYR 85 HA TYR 85 -3.843 10.786 -8.182 64 HB2 TYR 85 HB2 TYR 85 -0.941 11.501 -8.769 65 HB3 TYR 85 HB3 TYR 85 -2.329 12.584 -8.811 66 HD1 TYR 85 HD1 TYR 85 -3.414 13.368 -6.789 67 HD2 TYR 85 HD2 TYR 85 0.145 10.947 -6.631 68 HE1 TYR 85 HE1 TYR 85 -2.983 14.189 -4.487 69 HE2 TYR 85 HE2 TYR 85 0.601 11.771 -4.326 70 HH TYR 85 HH TYR 85 -1.494 14.221 -2.750 71 H LYS 86 H LYS 86 -4.714 11.097 -10.230 72 HA LYS 86 HA LYS 86 -3.289 9.947 -12.596 73 HB2 LYS 86 HB2 LYS 86 -4.915 8.308 -11.877 74 HB3 LYS 86 HB3 LYS 86 -6.189 9.532 -11.737 75 HG2 LYS 86 HG2 LYS 86 -6.291 9.862 -14.118 76 HG3 LYS 86 HG3 LYS 86 -4.800 8.944 -14.386 77 HD2 LYS 86 HD2 LYS 86 -5.944 6.887 -13.510 78 HD3 LYS 86 HD3 LYS 86 -7.444 7.828 -13.357 79 HE2 LYS 86 HE2 LYS 86 -7.334 8.321 -15.820 80 HE3 LYS 86 HE3 LYS 86 -5.866 7.341 -15.933 81 HZ1 LYS 86 HZ1 LYS 86 -7.185 5.404 -15.212 82 HZ2 LYS 86 HZ2 LYS 86 -8.543 6.306 -15.108 83 HZ3 LYS 86 HZ3 LYS 86 -7.842 6.052 -16.558 84 H ASN 87 H ASN 87 -3.286 11.219 -14.332 85 HA ASN 87 HA ASN 87 -4.459 13.911 -13.996 86 HB2 ASN 87 HB2 ASN 87 -2.093 13.609 -14.304 87 HB3 ASN 87 HB3 ASN 87 -2.344 12.868 -15.878 88 HD21 ASN 87 HD22 ASN 87 -0.842 15.317 -15.154 89 HD22 ASN 87 HD21 ASN 87 -1.656 16.625 -16.012 90 HA PRO 88 HA PRO 88 -7.575 12.556 -17.020 91 HB2 PRO 88 HB2 PRO 88 -9.222 14.774 -16.900 92 HB3 PRO 88 HB3 PRO 88 -9.216 13.435 -15.716 93 HG2 PRO 88 HG2 PRO 88 -7.819 16.111 -15.514 94 HG3 PRO 88 HG3 PRO 88 -8.789 15.265 -14.262 95 HD2 PRO 88 HD2 PRO 88 -6.089 15.167 -14.288 96 HD3 PRO 88 HD3 PRO 88 -7.062 13.746 -13.806 97 H HIS 89 H HIS 89 -5.420 15.273 -17.278 98 HA HIS 89 HA HIS 89 -6.233 15.938 -20.045 99 HB2 HIS 89 HB2 HIS 89 -3.940 17.044 -18.370 100 HB3 HIS 89 HB3 HIS 89 -4.549 17.696 -19.882 101 HD1 HIS 89 HD1 HIS 89 -7.122 18.782 -19.741 102 HD2 HIS 89 HD2 HIS 89 -5.139 17.796 -16.140 103 HE1 HIS 89 HE1 HIS 89 -8.391 19.993 -17.864 104 HE2 HIS 89 HE2 HIS 89 -7.185 19.391 -15.669 105 H THR 90 H THR 90 -3.831 13.905 -18.498 106 HA THR 90 HA THR 90 -2.432 13.508 -21.133 107 HB THR 90 HB THR 90 -0.379 13.223 -19.930 108 HG1 THR 90 HG1 THR 90 -0.360 13.489 -17.667 109 HG21 THR 90 HG21 THR 90 -1.759 15.645 -18.707 110 HG22 THR 90 HG22 THR 90 -0.012 15.391 -18.931 111 HG23 THR 90 HG23 THR 90 -1.063 15.608 -20.345 112 H GLY 91 H GLY 91 -3.961 11.790 -18.482 113 HA2 GLY 91 HA2 GLY 91 -4.416 9.543 -18.258 114 HA3 GLY 91 HA3 GLY 91 -3.582 9.198 -19.779 115 H GLU 92 H GLU 92 -1.663 11.012 -17.499 116 HA GLU 92 HA GLU 92 0.141 8.811 -16.915 117 HB2 GLU 92 HB2 GLU 92 -0.020 11.724 -16.059 118 HB3 GLU 92 HB3 GLU 92 1.244 10.593 -15.539 119 HG2 GLU 92 HG2 GLU 92 2.088 10.355 -17.748 120 HG3 GLU 92 HG3 GLU 92 0.798 11.363 -18.434 121 H VAL 93 H VAL 93 0.325 7.944 -14.947 122 HA VAL 93 HA VAL 93 -1.346 8.806 -12.645 123 HB VAL 93 HB VAL 93 -0.610 5.985 -13.371 124 HG11 VAL 93 HG11 VAL 93 -2.387 5.329 -11.706 125 HG12 VAL 93 HG12 VAL 93 -1.052 6.164 -10.934 126 HG13 VAL 93 HG13 VAL 93 -2.567 7.031 -11.253 127 HG21 VAL 93 HG21 VAL 93 -3.051 5.669 -13.929 128 HG22 VAL 93 HG22 VAL 93 -3.262 7.423 -13.753 129 HG23 VAL 93 HG23 VAL 93 -2.222 6.771 -15.030 130 H ILE 94 H ILE 94 -0.445 8.374 -10.654 131 HA ILE 94 HA ILE 94 2.380 7.618 -10.320 132 HB ILE 94 HB ILE 94 1.878 9.868 -8.591 133 HG12 ILE 94 HG12 ILE 94 1.829 10.773 -11.493 134 HG13 ILE 94 HG13 ILE 94 0.424 10.767 -10.416 135 HG21 ILE 94 HG21 ILE 94 4.046 10.562 -9.229 136 HG22 ILE 94 HG22 ILE 94 4.073 8.808 -9.238 137 HG23 ILE 94 HG23 ILE 94 3.957 9.688 -10.787 138 HD11 ILE 94 HD11 ILE 94 1.670 12.211 -8.804 139 HD12 ILE 94 HD12 ILE 94 2.963 12.371 -10.013 140 HD13 ILE 94 HD13 ILE 94 1.333 12.987 -10.372 141 H GLU 95 H GLU 95 2.887 7.511 -8.015 142 HA GLU 95 HA GLU 95 0.743 7.245 -6.023 143 HB2 GLU 95 HB2 GLU 95 2.559 5.039 -6.998 144 HB3 GLU 95 HB3 GLU 95 1.963 5.052 -5.311 145 HG2 GLU 95 HG2 GLU 95 -0.322 4.985 -6.021 146 HG3 GLU 95 HG3 GLU 95 0.122 5.139 -7.721 147 H THR 96 H THR 96 1.468 8.426 -4.345 148 HA THR 96 HA THR 96 4.293 8.231 -3.444 149 HB THR 96 HB THR 96 4.943 10.343 -3.800 150 HG1 THR 96 HG1 THR 96 3.642 12.138 -3.529 151 HG21 THR 96 HG21 THR 96 4.170 9.852 -6.127 152 HG22 THR 96 HG22 THR 96 2.575 10.535 -5.710 153 HG23 THR 96 HG23 THR 96 4.024 11.565 -5.727 154 H LYS 97 H LYS 97 4.592 8.962 -1.214 155 HA LYS 97 HA LYS 97 2.056 8.895 0.387 156 HB2 LYS 97 HB2 LYS 97 4.930 8.703 1.267 157 HB3 LYS 97 HB3 LYS 97 3.517 8.347 2.261 158 HG2 LYS 97 HG2 LYS 97 3.006 6.362 0.982 159 HG3 LYS 97 HG3 LYS 97 4.198 6.756 -0.250 160 HD2 LYS 97 HD2 LYS 97 5.965 6.614 1.644 161 HD3 LYS 97 HD3 LYS 97 4.701 5.829 2.583 162 HE2 LYS 97 HE2 LYS 97 6.014 4.106 1.592 163 HE3 LYS 97 HE3 LYS 97 4.481 4.123 0.720 164 HZ1 LYS 97 HZ1 LYS 97 7.003 5.442 -0.241 165 HZ2 LYS 97 HZ2 LYS 97 6.453 3.985 -0.774 166 HZ3 LYS 97 HZ3 LYS 97 5.618 5.361 -1.083 167 H GLY 98 H GLY 98 3.387 11.256 -1.119 168 HA2 GLY 98 HA2 GLY 98 2.800 13.579 -0.448 169 HA3 GLY 98 HA3 GLY 98 3.635 13.262 1.077 170 H GLY 99 H GLY 99 4.796 15.191 0.417 171 HA2 GLY 99 HA2 GLY 99 6.833 16.068 0.115 172 HA3 GLY 99 HA3 GLY 99 7.414 14.490 -0.380 173 H ASN 100 H ASN 100 8.523 16.665 -1.305 174 HA ASN 100 HA ASN 100 7.957 17.592 -3.924 175 HB2 ASN 100 HB2 ASN 100 9.601 18.681 -2.577 176 HB3 ASN 100 HB3 ASN 100 10.367 17.183 -2.153 177 HD21 ASN 100 HD22 ASN 100 12.213 18.612 -2.564 178 HD22 ASN 100 HD21 ASN 100 12.968 18.263 -4.098 179 H HIS 101 H HIS 101 7.219 16.060 -5.346 180 HA HIS 101 HA HIS 101 9.116 13.927 -6.217 181 HB2 HIS 101 HB2 HIS 101 7.216 13.031 -4.824 182 HB3 HIS 101 HB3 HIS 101 6.089 13.617 -6.038 183 HD1 HIS 101 HD1 HIS 101 9.054 11.068 -5.724 184 HD2 HIS 101 HD2 HIS 101 5.713 12.032 -8.152 185 HE1 HIS 101 HE1 HIS 101 8.818 9.173 -7.421 186 HE2 HIS 101 HE2 HIS 101 6.803 9.749 -8.911 187 H LYS 102 H LYS 102 9.493 13.856 -8.389 188 HA LYS 102 HA LYS 102 9.303 16.109 -9.919 189 HB2 LYS 102 HB2 LYS 102 10.755 14.052 -10.275 190 HB3 LYS 102 HB3 LYS 102 9.410 13.322 -11.123 191 HG2 LYS 102 HG2 LYS 102 10.662 14.262 -12.858 192 HG3 LYS 102 HG3 LYS 102 9.390 15.452 -12.600 193 HD2 LYS 102 HD2 LYS 102 11.466 16.594 -12.956 194 HD3 LYS 102 HD3 LYS 102 10.992 16.849 -11.270 195 HE2 LYS 102 HE2 LYS 102 12.578 15.081 -10.541 196 HE3 LYS 102 HE3 LYS 102 12.965 14.707 -12.223 197 HZ1 LYS 102 HZ1 LYS 102 13.942 16.917 -12.441 198 HZ2 LYS 102 HZ2 LYS 102 13.533 17.310 -10.896 199 HZ3 LYS 102 HZ3 LYS 102 14.626 16.116 -11.183 200 H THR 103 H THR 103 7.283 13.361 -11.069 201 HA THR 103 HA THR 103 5.839 14.939 -12.877 202 HB THR 103 HB THR 103 4.796 12.423 -11.536 203 HG1 THR 103 HG1 THR 103 5.890 11.399 -13.279 204 HG21 THR 103 HG21 THR 103 3.783 12.156 -13.911 205 HG22 THR 103 HG22 THR 103 3.082 13.404 -12.868 206 HG23 THR 103 HG23 THR 103 4.219 13.876 -14.146 207 H LEU 104 H LEU 104 5.006 14.172 -9.519 208 HA LEU 104 HA LEU 104 2.406 15.313 -9.443 209 HB2 LEU 104 HB2 LEU 104 3.427 13.754 -7.765 210 HB3 LEU 104 HB3 LEU 104 4.527 15.039 -7.264 211 HG LEU 104 HG LEU 104 2.645 16.365 -6.408 212 HD11 LEU 104 HD11 LEU 104 0.933 13.953 -7.198 213 HD12 LEU 104 HD12 LEU 104 0.397 15.318 -6.204 214 HD13 LEU 104 HD13 LEU 104 0.832 15.581 -7.901 215 HD21 LEU 104 HD21 LEU 104 2.095 14.931 -4.506 216 HD22 LEU 104 HD22 LEU 104 2.611 13.493 -5.397 217 HD23 LEU 104 HD23 LEU 104 3.800 14.740 -4.936 218 H LYS 105 H LYS 105 5.631 16.817 -9.011 219 HA LYS 105 HA LYS 105 4.570 19.461 -8.365 220 HB2 LYS 105 HB2 LYS 105 7.308 18.435 -9.213 221 HB3 LYS 105 HB3 LYS 105 6.999 20.138 -8.985 222 HG2 LYS 105 HG2 LYS 105 6.674 17.993 -6.836 223 HG3 LYS 105 HG3 LYS 105 8.054 19.074 -7.011 224 HD2 LYS 105 HD2 LYS 105 5.218 19.814 -6.194 225 HD3 LYS 105 HD3 LYS 105 6.681 19.891 -5.220 226 HE2 LYS 105 HE2 LYS 105 7.591 21.645 -6.814 227 HE3 LYS 105 HE3 LYS 105 6.035 21.624 -7.661 228 HZ1 LYS 105 HZ1 LYS 105 5.000 22.221 -5.447 229 HZ2 LYS 105 HZ2 LYS 105 6.472 22.430 -4.826 230 HZ3 LYS 105 HZ3 LYS 105 5.984 23.405 -6.061 231 H GLU 106 H GLU 106 5.324 17.841 -11.457 232 HA GLU 106 HA GLU 106 5.201 20.292 -12.964 233 HB2 GLU 106 HB2 GLU 106 4.472 17.542 -14.005 234 HB3 GLU 106 HB3 GLU 106 5.030 18.964 -14.930 235 HG2 GLU 106 HG2 GLU 106 7.186 18.733 -13.502 236 HG3 GLU 106 HG3 GLU 106 6.493 17.156 -13.057 237 H TRP 107 H TRP 107 2.877 17.749 -12.188 238 HA TRP 107 HA TRP 107 0.646 18.906 -13.539 239 HB2 TRP 107 HB2 TRP 107 0.623 17.256 -10.996 240 HB3 TRP 107 HB3 TRP 107 -0.776 17.620 -12.003 241 HD1 TRP 107 HD1 TRP 107 1.905 16.724 -14.362 242 HE1 TRP 107 HE1 TRP 107 1.646 14.273 -15.116 243 HE3 TRP 107 HE3 TRP 107 -1.575 15.148 -10.945 244 HZ2 TRP 107 HZ2 TRP 107 0.630 11.855 -13.940 245 HZ3 TRP 107 HZ3 TRP 107 -2.299 12.778 -10.942 246 HH2 TRP 107 HH2 TRP 107 -1.142 11.100 -12.382 247 H LYS 108 H LYS 108 1.857 19.624 -10.256 248 HA LYS 108 HA LYS 108 -0.250 21.489 -9.562 249 HB2 LYS 108 HB2 LYS 108 2.656 21.300 -8.652 250 HB3 LYS 108 HB3 LYS 108 1.482 22.463 -8.006 251 HG2 LYS 108 HG2 LYS 108 -0.025 20.561 -7.406 252 HG3 LYS 108 HG3 LYS 108 1.237 19.428 -7.892 253 HD2 LYS 108 HD2 LYS 108 2.809 20.531 -6.276 254 HD3 LYS 108 HD3 LYS 108 1.480 21.593 -5.752 255 HE2 LYS 108 HE2 LYS 108 0.150 19.437 -5.244 256 HE3 LYS 108 HE3 LYS 108 1.632 18.548 -5.576 257 HZ1 LYS 108 HZ1 LYS 108 1.698 18.882 -3.320 258 HZ2 LYS 108 HZ2 LYS 108 2.672 20.129 -3.846 259 HZ3 LYS 108 HZ3 LYS 108 1.140 20.438 -3.359 260 H ALA 109 H ALA 109 2.802 21.887 -11.407 261 HA ALA 109 HA ALA 109 2.718 24.743 -11.574 262 HB1 ALA 109 HB1 ALA 109 4.719 23.249 -12.048 263 HB2 ALA 109 HB2 ALA 109 3.916 22.744 -13.557 264 HB3 ALA 109 HB3 ALA 109 4.366 24.433 -13.342 265 H LYS 110 H LYS 110 1.744 22.126 -13.765 266 HA LYS 110 HA LYS 110 0.882 23.757 -15.782 267 HB2 LYS 110 HB2 LYS 110 0.664 20.814 -15.199 268 HB3 LYS 110 HB3 LYS 110 -0.062 21.482 -16.675 269 HG2 LYS 110 HG2 LYS 110 2.150 22.443 -17.311 270 HG3 LYS 110 HG3 LYS 110 2.864 21.754 -15.849 271 HD2 LYS 110 HD2 LYS 110 3.450 20.231 -17.558 272 HD3 LYS 110 HD3 LYS 110 2.119 19.463 -16.694 273 HE2 LYS 110 HE2 LYS 110 1.608 19.119 -18.970 274 HE3 LYS 110 HE3 LYS 110 0.550 20.451 -18.473 275 HZ1 LYS 110 HZ1 LYS 110 2.143 21.999 -19.541 276 HZ2 LYS 110 HZ2 LYS 110 3.128 20.760 -19.957 277 HZ3 LYS 110 HZ3 LYS 110 1.641 20.887 -20.623 278 H TRP 111 H TRP 111 -1.028 22.191 -13.255 279 HA TRP 111 HA TRP 111 -3.509 23.564 -14.261 280 HB2 TRP 111 HB2 TRP 111 -3.332 20.746 -13.174 281 HB3 TRP 111 HB3 TRP 111 -4.801 21.582 -13.651 282 HD1 TRP 111 HD1 TRP 111 -5.095 22.113 -16.312 283 HE1 TRP 111 HE1 TRP 111 -4.205 20.921 -18.399 284 HE3 TRP 111 HE3 TRP 111 -1.434 19.326 -14.128 285 HZ2 TRP 111 HZ2 TRP 111 -2.100 19.036 -19.054 286 HZ3 TRP 111 HZ3 TRP 111 0.099 17.924 -15.521 287 HH2 TRP 111 HH2 TRP 111 -0.261 17.721 -17.954 288 H GLY 112 H GLY 112 -2.142 21.985 -11.289 289 HA2 GLY 112 HA2 GLY 112 -1.927 23.925 -9.560 290 HA3 GLY 112 HA3 GLY 112 -3.677 23.977 -9.617 291 HA PRO 113 HA PRO 113 -1.947 20.699 -6.555 292 HB2 PRO 113 HB2 PRO 113 -2.201 22.072 -4.147 293 HB3 PRO 113 HB3 PRO 113 -0.705 21.946 -5.108 294 HG2 PRO 113 HG2 PRO 113 -2.711 24.197 -5.072 295 HG3 PRO 113 HG3 PRO 113 -0.915 24.282 -5.060 296 HD2 PRO 113 HD2 PRO 113 -2.367 24.674 -7.322 297 HD3 PRO 113 HD3 PRO 113 -0.793 23.821 -7.366 298 H GLU 114 H GLU 114 -4.687 22.979 -6.274 299 HA GLU 114 HA GLU 114 -6.384 21.392 -4.632 300 HB2 GLU 114 HB2 GLU 114 -7.298 23.175 -6.902 301 HB3 GLU 114 HB3 GLU 114 -8.128 22.759 -5.374 302 HG2 GLU 114 HG2 GLU 114 -6.269 24.016 -4.174 303 HG3 GLU 114 HG3 GLU 114 -5.700 24.528 -5.776 304 H ALA 115 H ALA 115 -6.043 21.681 -8.095 305 HA ALA 115 HA ALA 115 -7.982 19.833 -8.999 306 HB1 ALA 115 HB1 ALA 115 -6.854 20.006 -11.107 307 HB2 ALA 115 HB2 ALA 115 -6.632 21.584 -10.316 308 HB3 ALA 115 HB3 ALA 115 -5.299 20.377 -10.355 309 H VAL 116 H VAL 116 -4.482 19.492 -8.594 310 HA VAL 116 HA VAL 116 -4.157 16.875 -9.230 311 HB VAL 116 HB VAL 116 -2.634 18.804 -7.484 312 HG11 VAL 116 HG11 VAL 116 -1.597 16.062 -8.248 313 HG12 VAL 116 HG12 VAL 116 -0.655 17.406 -7.538 314 HG13 VAL 116 HG13 VAL 116 -1.932 16.638 -6.599 315 HG21 VAL 116 HG21 VAL 116 -2.038 17.546 -10.189 316 HG22 VAL 116 HG22 VAL 116 -2.870 19.094 -10.004 317 HG23 VAL 116 HG23 VAL 116 -1.192 18.924 -9.436 318 H GLU 117 H GLU 117 -4.712 18.182 -5.920 319 HA GLU 117 HA GLU 117 -4.771 15.607 -4.590 320 HB2 GLU 117 HB2 GLU 117 -5.827 18.398 -3.964 321 HB3 GLU 117 HB3 GLU 117 -6.151 17.052 -2.889 322 HG2 GLU 117 HG2 GLU 117 -3.296 17.664 -3.705 323 HG3 GLU 117 HG3 GLU 117 -4.109 18.607 -2.458 324 H SER 118 H SER 118 -7.252 17.545 -6.264 325 HA SER 118 HA SER 118 -9.514 16.036 -5.257 326 HB2 SER 118 HB2 SER 118 -9.308 17.726 -7.780 327 HB3 SER 118 HB3 SER 118 -10.795 17.067 -7.091 328 HG SER 118 HG SER 118 -9.022 18.979 -5.960 329 H TRP 119 H TRP 119 -7.361 15.616 -8.041 330 HA TRP 119 HA TRP 119 -8.843 13.405 -9.203 331 HB2 TRP 119 HB2 TRP 119 -5.891 13.987 -9.513 332 HB3 TRP 119 HB3 TRP 119 -6.959 13.102 -10.592 333 HD1 TRP 119 HD1 TRP 119 -9.210 15.568 -10.613 334 HE1 TRP 119 HE1 TRP 119 -8.719 17.580 -12.126 335 HE3 TRP 119 HE3 TRP 119 -4.181 14.858 -11.292 336 HZ2 TRP 119 HZ2 TRP 119 -6.423 18.761 -13.421 337 HZ3 TRP 119 HZ3 TRP 119 -2.874 16.427 -12.715 338 HH2 TRP 119 HH2 TRP 119 -3.976 18.379 -13.765 339 H ALA 120 H ALA 120 -7.010 13.463 -6.265 340 HA ALA 120 HA ALA 120 -5.561 11.075 -6.656 341 HB1 ALA 120 HB1 ALA 120 -5.043 12.967 -5.015 342 HB2 ALA 120 HB2 ALA 120 -6.271 12.247 -3.958 343 HB3 ALA 120 HB3 ALA 120 -4.832 11.306 -4.421 344 H THR 121 H THR 121 -5.575 9.433 -5.197 345 HA THR 121 HA THR 121 -8.095 7.976 -4.376 346 HB THR 121 HB THR 121 -5.779 6.963 -6.057 347 HG1 THR 121 HG1 THR 121 -7.419 6.708 -7.668 348 HG21 THR 121 HG21 THR 121 -8.324 5.716 -4.953 349 HG22 THR 121 HG22 THR 121 -7.380 4.947 -6.270 350 HG23 THR 121 HG23 THR 121 -6.649 5.163 -4.675 351 H LEU 122 H LEU 122 -7.753 6.686 -2.582 352 HA LEU 122 HA LEU 122 -5.123 7.059 -1.190 353 HB2 LEU 122 HB2 LEU 122 -7.374 7.997 -0.332 354 HB3 LEU 122 HB3 LEU 122 -7.730 6.340 0.148 355 HG LEU 122 HG LEU 122 -5.299 7.988 1.022 356 HD11 LEU 122 HD11 LEU 122 -6.428 8.130 3.198 357 HD12 LEU 122 HD12 LEU 122 -7.467 8.799 1.936 358 HD13 LEU 122 HD13 LEU 122 -7.792 7.173 2.576 359 HD21 LEU 122 HD21 LEU 122 -6.181 5.187 1.785 360 HD22 LEU 122 HD22 LEU 122 -4.585 5.760 1.224 361 HD23 LEU 122 HD23 LEU 122 -5.141 6.171 2.836 362 H LEU 123 H LEU 123 -3.869 5.414 -0.968 363 HA LEU 123 HA LEU 123 -4.839 2.617 -1.345 364 HB2 LEU 123 HB2 LEU 123 -2.244 3.950 -2.243 365 HB3 LEU 123 HB3 LEU 123 -2.646 2.248 -2.446 366 HG LEU 123 HG LEU 123 -4.060 4.633 -3.727 367 HD11 LEU 123 HD11 LEU 123 -1.851 4.170 -4.628 368 HD12 LEU 123 HD12 LEU 123 -2.227 2.449 -4.814 369 HD13 LEU 123 HD13 LEU 123 -3.079 3.644 -5.807 370 HD21 LEU 123 HD21 LEU 123 -4.546 1.629 -4.100 371 HD22 LEU 123 HD22 LEU 123 -5.694 2.790 -3.409 372 HD23 LEU 123 HD23 LEU 123 -5.244 2.916 -5.109 373 H GLY 124 H GLY 124 -4.430 1.250 0.145 374 HA2 GLY 124 HA2 GLY 124 -3.314 2.037 2.684 375 HA3 GLY 124 HA3 GLY 124 -3.930 0.444 2.258 376 H HIS 125 H HIS 125 -1.788 0.502 -0.030 377 HA HIS 125 HA HIS 125 0.744 0.176 1.422 378 HB2 HIS 125 HB2 HIS 125 -0.428 -1.920 1.749 379 HB3 HIS 125 HB3 HIS 125 -0.558 -2.157 0.004 380 HD1 HIS 125 HD1 HIS 125 2.714 -1.065 -0.149 381 HD2 HIS 125 HD2 HIS 125 0.897 -4.328 1.811 382 HE1 HIS 125 HE1 HIS 125 4.590 -2.815 0.250 383 HE2 HIS 125 HE2 HIS 125 3.457 -4.809 1.442 384 H5' DC 1 H5' DC 1 -4.493 29.469 7.338 385 H5'' DC 1 H5'' DC 1 -3.067 30.228 6.641 386 H4' DC 1 H4' DC 1 -2.820 30.156 9.018 387 H3' DC 1 H3' DC 1 -0.962 28.994 7.266 388 H2' DC 1 H2' DC 1 -1.149 26.836 7.847 389 H2'' DC 1 H2'' DC 1 -0.186 27.230 9.255 390 H1' DC 1 H1' DC 1 -1.968 27.456 10.686 391 H41 DC 1 H41 DC 1 -4.869 21.841 8.697 392 H42 DC 1 H42 DC 1 -4.790 21.849 10.462 393 H5 DC 1 H5 DC 1 -3.995 23.730 7.354 394 H6 DC 1 H6 DC 1 -2.990 25.927 7.526 395 HO5' DC 1 H5T DC 1 -3.756 28.335 5.438 396 H5' DG 2 H5' DG 2 0.272 29.292 11.849 397 H5'' DG 2 H5'' DG 2 1.864 30.048 11.927 398 H4' DG 2 H4' DG 2 1.813 28.525 13.692 399 H3' DG 2 H3' DG 2 3.734 28.143 11.673 400 H2' DG 2 H2' DG 2 2.713 26.262 10.772 401 H2'' DG 2 H2'' DG 2 3.722 25.432 11.970 402 H1' DG 2 H1' DG 2 1.970 25.376 13.592 403 H8 DG 2 H8 DG 2 0.836 25.467 9.936 404 H1 DG 2 H1 DG 2 -1.333 20.441 13.336 405 H21 DG 2 H21 DG 2 0.480 21.897 15.862 406 H22 DG 2 H22 DG 2 -0.528 20.542 15.342 407 H5' DC 3 H5' DC 3 4.054 25.653 15.687 408 H5'' DC 3 H5'' DC 3 5.732 25.573 16.219 409 H4' DC 3 H4' DC 3 4.587 23.547 16.828 410 H3' DC 3 H3' DC 3 6.876 23.475 15.027 411 H2' DC 3 H2' DC 3 6.073 21.995 13.537 412 H2'' DC 3 H2'' DC 3 5.973 20.776 14.813 413 H1' DC 3 H1' DC 3 3.768 21.106 15.243 414 H41 DC 3 H41 DC 3 1.795 21.678 8.950 415 H42 DC 3 H42 DC 3 1.103 20.219 9.685 416 H5 DC 3 H5 DC 3 3.437 23.051 10.173 417 H6 DC 3 H6 DC 3 4.482 23.346 12.413 418 H5' DA 4 H5' DA 4 5.927 19.699 17.311 419 H5'' DA 4 H5'' DA 4 7.329 18.961 18.091 420 H4' DA 4 H4' DA 4 6.052 17.213 17.194 421 H3' DA 4 H3' DA 4 8.692 17.643 16.133 422 H2' DA 4 H2' DA 4 7.955 18.003 13.985 423 H2'' DA 4 H2'' DA 4 7.936 16.243 13.880 424 H1' DA 4 H1' DA 4 5.620 16.097 14.515 425 H8 DA 4 H8 DA 4 6.634 19.420 12.919 426 H61 DA 4 H61 DA 4 2.461 17.877 8.510 427 H62 DA 4 H62 DA 4 3.504 19.175 9.069 428 H2 DA 4 H2 DA 4 2.759 14.558 11.289 429 H5' DT 5 H5' DT 5 6.795 13.413 15.386 430 H5'' DT 5 H5'' DT 5 8.001 12.187 15.789 431 H4' DT 5 H4' DT 5 6.785 11.405 13.906 432 H3' DT 5 H3' DT 5 9.612 11.871 13.676 433 H2' DT 5 H2' DT 5 9.454 13.407 11.996 434 H2'' DT 5 H2'' DT 5 9.247 12.003 10.934 435 H1' DT 5 H1' DT 5 6.885 12.072 11.038 436 H3 DT 5 H3 DT 5 5.387 15.248 8.185 437 H71 DT 5 H71 DT 5 9.220 17.832 9.646 438 H72 DT 5 H72 DT 5 7.948 18.518 10.653 439 H73 DT 5 H73 DT 5 9.198 17.488 11.392 440 H6 DT 5 H6 DT 5 8.605 15.328 11.793 441 H5' DA 6 H5' DA 6 7.231 9.034 10.810 442 H5'' DA 6 H5'' DA 6 8.163 7.546 10.632 443 H4' DA 6 H4' DA 6 6.886 7.826 8.686 444 H3' DA 6 H3' DA 6 9.671 7.598 8.499 445 H2' DA 6 H2' DA 6 10.131 9.751 7.898 446 H2'' DA 6 H2'' DA 6 9.755 9.205 6.277 447 H1' DA 6 H1' DA 6 7.587 10.035 6.295 448 H8 DA 6 H8 DA 6 9.963 11.657 8.828 449 H61 DA 6 H61 DA 6 8.200 16.956 6.001 450 H62 DA 6 H62 DA 6 9.352 16.300 7.162 451 H2 DA 6 H2 DA 6 5.854 13.729 4.329 452 H5' DT 7 H5' DT 7 6.953 7.718 4.995 453 H5'' DT 7 H5'' DT 7 7.251 6.584 3.680 454 H4' DT 7 H4' DT 7 6.334 8.705 2.887 455 H3' DT 7 H3' DT 7 8.666 7.507 1.798 456 H2' DT 7 H2' DT 7 10.076 9.230 2.532 457 H2'' DT 7 H2'' DT 7 9.557 9.976 0.998 458 H1' DT 7 H1' DT 7 7.698 11.083 2.034 459 H3 DT 7 H3 DT 7 9.717 14.918 3.280 460 H71 DT 7 H71 DT 7 12.101 10.815 5.971 461 H72 DT 7 H72 DT 7 13.078 12.191 5.413 462 H73 DT 7 H73 DT 7 11.948 12.402 6.755 463 H6 DT 7 H6 DT 7 10.407 10.297 4.441 464 H5' DA 8 H5' DA 8 7.401 10.753 -1.490 465 H5'' DA 8 H5'' DA 8 7.533 9.869 -3.009 466 H4' DA 8 H4' DA 8 8.732 11.831 -3.373 467 H3' DA 8 H3' DA 8 10.446 9.464 -3.082 468 H2' DA 8 H2' DA 8 11.834 10.434 -1.579 469 H2'' DA 8 H2'' DA 8 12.435 11.409 -2.948 470 H1' DA 8 H1' DA 8 10.986 13.198 -2.511 471 H8 DA 8 H8 DA 8 11.559 11.037 0.730 472 H61 DA 8 H61 DA 8 13.269 16.655 3.004 473 H62 DA 8 H62 DA 8 13.006 14.998 3.546 474 H2 DA 8 H2 DA 8 12.168 17.184 -1.026 475 H5' DT 9 H5' DT 9 11.064 13.010 -6.069 476 H5'' DT 9 H5'' DT 9 11.797 12.374 -7.556 477 H4' DT 9 H4' DT 9 12.368 14.690 -7.344 478 H3' DT 9 H3' DT 9 14.354 12.688 -7.515 479 H2' DT 9 H2' DT 9 15.272 12.947 -5.480 480 H2'' DT 9 H2'' DT 9 16.109 14.340 -6.153 481 H1' DT 9 H1' DT 9 14.558 15.897 -5.389 482 H3 DT 9 H3 DT 9 15.327 16.461 -0.985 483 H71 DT 9 H71 DT 9 14.635 11.126 -1.910 484 H72 DT 9 H72 DT 9 15.962 11.660 -0.860 485 H73 DT 9 H73 DT 9 14.304 11.804 -0.295 486 H6 DT 9 H6 DT 9 14.264 12.590 -3.666 487 H5' DG 10 H5' DG 10 15.329 17.190 -7.810 488 H5'' DG 10 H5'' DG 10 16.304 17.482 -9.257 489 H4' DG 10 H4' DG 10 16.913 19.133 -7.683 490 H3' DG 10 H3' DG 10 18.839 17.375 -8.721 491 H2' DG 10 H2' DG 10 19.096 16.163 -6.745 492 H2'' DG 10 H2'' DG 10 20.314 17.405 -6.412 493 H1' DG 10 H1' DG 10 18.780 18.761 -5.193 494 H8 DG 10 H8 DG 10 18.008 15.011 -5.191 495 H1 DG 10 H1 DG 10 19.074 17.605 0.609 496 H21 DG 10 H21 DG 10 19.542 20.473 -1.221 497 H22 DG 10 H22 DG 10 19.615 19.684 0.357 498 H5' DC 11 H5' DC 11 20.191 21.321 -6.392 499 H5'' DC 11 H5'' DC 11 21.360 22.097 -7.457 500 H4' DC 11 H4' DC 11 21.818 22.777 -5.227 501 H3' DC 11 H3' DC 11 23.783 21.591 -6.817 502 H2' DC 11 H2' DC 11 23.916 19.563 -5.733 503 H2'' DC 11 H2'' DC 11 24.996 20.407 -4.629 504 H1' DC 11 H1' DC 11 23.363 20.845 -3.057 505 H41 DC 11 H41 DC 11 21.197 14.606 -2.707 506 H42 DC 11 H42 DC 11 21.461 15.229 -1.073 507 H5 DC 11 H5 DC 11 21.663 15.951 -4.669 508 H6 DC 11 H6 DC 11 22.330 18.232 -5.404 509 H5' DG 12 H5' DG 12 25.631 23.003 -2.801 510 H5'' DG 12 H5'' DG 12 27.279 23.624 -2.969 511 H4' DG 12 H4' DG 12 27.243 22.042 -1.176 512 H3' DG 12 H3' DG 12 28.617 21.040 -3.657 513 HO3' DG 12 H3T DG 12 30.441 21.288 -2.242 514 H2' DG 12 H2' DG 12 28.553 18.901 -2.981 515 H2'' DG 12 H2'' DG 12 29.069 19.308 -1.327 516 H1' DG 12 H1' DG 12 26.926 19.462 -0.532 517 H8 DG 12 H8 DG 12 26.326 18.398 -4.176 518 H1 DG 12 H1 DG 12 24.501 14.193 0.366 519 H21 DG 12 H21 DG 12 25.887 16.553 2.469 520 H22 DG 12 H22 DG 12 25.202 14.935 2.329 521 H5' DC 13 H5' DC 13 24.465 7.622 5.621 522 H5'' DC 13 H5'' DC 13 23.741 7.781 7.216 523 H4' DC 13 H4' DC 13 25.198 9.646 6.803 524 H3' DC 13 H3' DC 13 22.521 9.929 7.528 525 H2' DC 13 H2' DC 13 21.756 10.771 5.505 526 H2'' DC 13 H2'' DC 13 22.282 12.321 6.194 527 H1' DC 13 H1' DC 13 24.400 12.218 5.192 528 H41 DC 13 H41 DC 13 21.978 11.609 -0.931 529 H42 DC 13 H42 DC 13 23.225 12.861 -0.941 530 H5 DC 13 H5 DC 13 21.352 10.410 1.107 531 H6 DC 13 H6 DC 13 21.905 10.148 3.465 532 HO5' DC 13 H5T DC 13 22.195 7.093 5.589 533 H5' DG 14 H5' DG 14 25.273 14.071 7.853 534 H5'' DG 14 H5'' DG 14 24.892 14.543 9.504 535 H4' DG 14 H4' DG 14 25.331 16.537 8.418 536 H3' DG 14 H3' DG 14 22.806 16.202 9.528 537 H2' DG 14 H2' DG 14 21.659 15.825 7.529 538 H2'' DG 14 H2'' DG 14 21.521 17.565 7.522 539 H1' DG 14 H1' DG 14 23.304 17.881 6.071 540 H8 DG 14 H8 DG 14 21.750 14.396 5.934 541 H1 DG 14 H1 DG 14 22.373 17.340 0.241 542 H21 DG 14 H21 DG 14 23.839 19.804 2.136 543 H22 DG 14 H22 DG 14 23.289 19.279 0.540 544 H5' DC 15 H5' DC 15 23.530 20.232 7.479 545 H5'' DC 15 H5'' DC 15 22.800 21.650 8.231 546 H4' DC 15 H4' DC 15 22.493 21.685 5.828 547 H3' DC 15 H3' DC 15 20.057 21.423 7.532 548 H2' DC 15 H2' DC 15 18.834 20.445 5.923 549 H2'' DC 15 H2'' DC 15 19.236 21.713 4.750 550 H1' DC 15 H1' DC 15 21.013 20.625 3.869 551 H41 DC 15 H41 DC 15 18.194 14.662 3.548 552 H42 DC 15 H42 DC 15 18.344 15.359 1.927 553 H5 DC 15 H5 DC 15 18.796 15.975 5.548 554 H6 DC 15 H6 DC 15 19.800 18.131 6.262 555 H5' DA 16 H5' DA 16 20.358 23.793 3.814 556 H5'' DA 16 H5'' DA 16 19.792 25.458 3.939 557 H4' DA 16 H4' DA 16 19.312 24.748 1.761 558 H3' DA 16 H3' DA 16 17.184 25.498 3.484 559 H2' DA 16 H2' DA 16 16.334 23.359 3.642 560 H2'' DA 16 H2'' DA 16 15.415 23.846 2.219 561 H1' DA 16 H1' DA 16 17.042 22.927 0.695 562 H8 DA 16 H8 DA 16 17.023 21.328 4.156 563 H61 DA 16 H61 DA 16 15.639 16.063 1.045 564 H62 DA 16 H62 DA 16 16.141 16.667 2.616 565 H2 DA 16 H2 DA 16 15.395 19.347 -1.745 566 H5' DT 17 H5' DT 17 15.907 24.862 -0.912 567 H5'' DT 17 H5'' DT 17 14.901 26.189 -1.492 568 H4' DT 17 H4' DT 17 14.030 24.161 -2.379 569 H3' DT 17 H3' DT 17 12.388 25.771 -0.660 570 H2' DT 17 H2' DT 17 12.076 24.121 0.905 571 H2'' DT 17 H2'' DT 17 10.835 23.513 -0.204 572 H1' DT 17 H1' DT 17 12.377 22.068 -1.329 573 H3 DT 17 H3 DT 17 12.788 18.267 1.076 574 H71 DT 17 H71 DT 17 12.601 21.087 4.998 575 H72 DT 17 H72 DT 17 14.348 20.922 4.771 576 H73 DT 17 H73 DT 17 13.553 22.480 4.440 577 H6 DT 17 H6 DT 17 13.207 22.920 2.223 578 H5' DA 18 H5' DA 18 10.465 22.463 -2.974 579 H5'' DA 18 H5'' DA 18 9.140 23.047 -3.978 580 H4' DA 18 H4' DA 18 8.428 20.964 -3.305 581 H3' DA 18 H3' DA 18 7.008 23.133 -1.942 582 H2' DA 18 H2' DA 18 7.463 22.334 0.125 583 H2'' DA 18 H2'' DA 18 6.161 21.177 -0.225 584 H1' DA 18 H1' DA 18 7.664 19.532 -0.980 585 H8 DA 18 H8 DA 18 9.017 21.927 1.701 586 H61 DA 18 H61 DA 18 10.729 16.508 4.439 587 H62 DA 18 H62 DA 18 10.652 18.245 4.755 588 H2 DA 18 H2 DA 18 9.369 15.630 0.495 589 H5' DT 19 H5' DT 19 5.714 18.834 -2.434 590 H5'' DT 19 H5'' DT 19 4.174 18.829 -3.300 591 H4' DT 19 H4' DT 19 3.856 17.050 -1.815 592 H3' DT 19 H3' DT 19 2.348 19.405 -1.145 593 H2' DT 19 H2' DT 19 3.670 19.952 0.646 594 H2'' DT 19 H2'' DT 19 2.490 18.906 1.485 595 H1' DT 19 H1' DT 19 3.841 16.921 1.088 596 H3 DT 19 H3 DT 19 6.796 16.484 4.420 597 H71 DT 19 H71 DT 19 6.431 21.766 3.083 598 H72 DT 19 H72 DT 19 6.017 21.331 4.760 599 H73 DT 19 H73 DT 19 7.681 21.197 4.208 600 H6 DT 19 H6 DT 19 5.364 20.200 1.719 601 H5' DA 20 H5' DA 20 -1.498 15.739 -0.167 602 H5'' DA 20 H5'' DA 20 -0.136 16.417 0.707 603 H4' DA 20 H4' DA 20 -0.193 13.488 -0.108 604 H3' DA 20 H3' DA 20 -2.046 14.711 1.549 605 H2' DA 20 H2' DA 20 -0.577 15.662 3.015 606 H2'' DA 20 H2'' DA 20 -0.741 14.127 3.877 607 H1' DA 20 H1' DA 20 1.255 13.241 3.018 608 H8 DA 20 H8 DA 20 1.532 17.032 2.153 609 H61 DA 20 H61 DA 20 5.073 17.442 7.235 610 H62 DA 20 H62 DA 20 4.300 18.378 5.955 611 H2 DA 20 H2 DA 20 3.852 13.311 6.860 612 H5' DT 21 H5' DT 21 -0.495 11.242 3.885 613 H5'' DT 21 H5'' DT 21 -1.853 10.123 4.014 614 H4' DT 21 H4' DT 21 -0.693 9.882 6.026 615 H3' DT 21 H3' DT 21 -3.313 10.785 6.131 616 H2' DT 21 H2' DT 21 -2.879 12.998 6.650 617 H2'' DT 21 H2'' DT 21 -2.864 12.367 8.312 618 H1' DT 21 H1' DT 21 -0.563 12.116 8.382 619 H3 DT 21 H3 DT 21 1.889 15.877 8.675 620 H71 DT 21 H71 DT 21 -1.938 16.680 4.858 621 H72 DT 21 H72 DT 21 -1.488 17.995 5.964 622 H73 DT 21 H73 DT 21 -0.356 17.492 4.709 623 H6 DT 21 H6 DT 21 -1.774 14.582 5.799 624 H5' DG 22 H5' DG 22 -1.304 9.975 10.254 625 H5'' DG 22 H5'' DG 22 -2.430 9.141 11.345 626 H4' DG 22 H4' DG 22 -1.306 10.764 12.635 627 H3' DG 22 H3' DG 22 -4.148 11.097 12.257 628 H2' DG 22 H2' DG 22 -3.895 13.144 11.201 629 H2'' DG 22 H2'' DG 22 -3.816 13.756 12.876 630 H1' DG 22 H1' DG 22 -1.418 13.549 12.930 631 H8 DG 22 H8 DG 22 -2.958 14.375 9.509 632 H1 DG 22 H1 DG 22 1.098 18.766 11.943 633 H21 DG 22 H21 DG 22 1.296 16.512 14.529 634 H22 DG 22 H22 DG 22 1.749 18.101 13.903 635 H5' DC 23 H5' DC 23 -1.584 12.722 15.885 636 H5'' DC 23 H5'' DC 23 -2.475 12.237 17.321 637 H4' DC 23 H4' DC 23 -1.113 14.065 17.925 638 H3' DC 23 H3' DC 23 -3.879 14.173 18.276 639 H2' DC 23 H2' DC 23 -4.371 15.719 16.646 640 H2'' DC 23 H2'' DC 23 -3.932 16.909 17.850 641 H1' DC 23 H1' DC 23 -1.763 17.188 17.079 642 H41 DC 23 H41 DC 23 -3.768 18.159 10.845 643 H42 DC 23 H42 DC 23 -2.745 19.508 11.352 644 H5 DC 23 H5 DC 23 -4.298 16.316 12.364 645 H6 DC 23 H6 DC 23 -3.807 15.416 14.625 646 H5' DG 24 H5' DG 24 -2.007 17.934 20.142 647 H5'' DG 24 H5'' DG 24 -2.794 18.427 21.641 648 H4' DG 24 H4' DG 24 -2.662 20.348 20.254 649 H3' DG 24 H3' DG 24 -5.463 19.212 20.289 650 HO3' DG 24 H3T DG 24 -4.791 20.379 22.171 651 H2' DG 24 H2' DG 24 -6.087 20.452 18.538 652 H2'' DG 24 H2'' DG 24 -5.270 21.914 19.146 653 H1' DG 24 H1' DG 24 -3.332 21.493 18.017 654 H8 DG 24 H8 DG 24 -5.558 18.609 16.798 655 H1 DG 24 H1 DG 24 -3.964 23.075 12.408 656 H21 DG 24 H21 DG 24 -2.305 24.460 15.100 657 H22 DG 24 H22 DG 24 -2.778 24.644 13.410 Start of MODEL 9 1 H ALA 79 H1 ALA 79 -1.857 6.657 8.998 2 HA ALA 79 HA ALA 79 1.006 5.965 9.368 3 HB1 ALA 79 HB1 ALA 79 -0.480 3.999 9.332 4 HB2 ALA 79 HB2 ALA 79 -1.302 4.623 7.889 5 HB3 ALA 79 HB3 ALA 79 0.406 4.100 7.793 6 H ARG 80 H ARG 80 2.297 6.011 7.502 7 HA ARG 80 HA ARG 80 1.934 8.275 5.729 8 HB2 ARG 80 HB2 ARG 80 4.020 6.074 5.873 9 HB3 ARG 80 HB3 ARG 80 4.120 7.427 4.739 10 HG2 ARG 80 HG2 ARG 80 3.763 7.881 7.712 11 HG3 ARG 80 HG3 ARG 80 5.365 7.645 7.012 12 HD2 ARG 80 HD2 ARG 80 5.300 9.666 5.844 13 HD3 ARG 80 HD3 ARG 80 3.542 9.723 5.829 14 HE ARG 80 HE ARG 80 5.333 10.440 8.107 15 HH11 ARG 80 HH11 ARG 80 2.051 10.559 6.777 16 HH12 ARG 80 HH12 ARG 80 1.543 11.638 8.032 17 HH21 ARG 80 HH22 ARG 80 4.494 12.028 9.494 18 HH22 ARG 80 HH21 ARG 80 2.771 12.330 9.496 19 H LYS 81 H LYS 81 -0.266 7.248 5.154 20 HA LYS 81 HA LYS 81 -0.693 5.236 3.241 21 HB2 LYS 81 HB2 LYS 81 -2.149 7.827 3.953 22 HB3 LYS 81 HB3 LYS 81 -2.794 6.661 2.804 23 HG2 LYS 81 HG2 LYS 81 -3.271 5.073 4.410 24 HG3 LYS 81 HG3 LYS 81 -2.036 5.650 5.553 25 HD2 LYS 81 HD2 LYS 81 -3.342 7.578 6.144 26 HD3 LYS 81 HD3 LYS 81 -4.558 7.230 4.896 27 HE2 LYS 81 HE2 LYS 81 -5.289 5.231 6.016 28 HE3 LYS 81 HE3 LYS 81 -3.906 5.239 7.114 29 HZ1 LYS 81 HZ1 LYS 81 -4.770 7.209 8.185 30 HZ2 LYS 81 HZ2 LYS 81 -6.010 7.348 7.121 31 HZ3 LYS 81 HZ3 LYS 81 -5.963 6.088 8.173 32 H VAL 82 H VAL 82 -0.431 5.090 1.286 33 HA VAL 82 HA VAL 82 0.792 7.072 -0.477 34 HB VAL 82 HB VAL 82 -0.469 4.367 -1.066 35 HG11 VAL 82 HG11 VAL 82 -0.529 5.525 -3.129 36 HG12 VAL 82 HG12 VAL 82 1.093 6.238 -2.891 37 HG13 VAL 82 HG13 VAL 82 0.896 4.498 -3.201 38 HG21 VAL 82 HG21 VAL 82 1.762 3.500 -1.155 39 HG22 VAL 82 HG22 VAL 82 2.464 5.104 -0.873 40 HG23 VAL 82 HG23 VAL 82 1.520 4.286 0.416 41 H LYS 83 H LYS 83 -0.169 8.478 -1.793 42 HA LYS 83 HA LYS 83 -3.052 8.188 -2.465 43 HB2 LYS 83 HB2 LYS 83 -1.320 10.603 -2.045 44 HB3 LYS 83 HB3 LYS 83 -2.452 10.639 -3.411 45 HG2 LYS 83 HG2 LYS 83 -4.347 10.196 -2.031 46 HG3 LYS 83 HG3 LYS 83 -3.332 10.002 -0.582 47 HD2 LYS 83 HD2 LYS 83 -2.616 12.298 -0.671 48 HD3 LYS 83 HD3 LYS 83 -3.375 12.547 -2.258 49 HE2 LYS 83 HE2 LYS 83 -5.538 12.503 -1.440 50 HE3 LYS 83 HE3 LYS 83 -5.063 11.734 0.101 51 HZ1 LYS 83 HZ1 LYS 83 -5.527 14.159 0.284 52 HZ2 LYS 83 HZ2 LYS 83 -4.041 13.738 0.799 53 HZ3 LYS 83 HZ3 LYS 83 -4.249 14.468 -0.700 54 H GLN 84 H GLN 84 -3.449 7.599 -4.479 55 HA GLN 84 HA GLN 84 -1.269 7.598 -6.477 56 HB2 GLN 84 HB2 GLN 84 -2.202 5.583 -6.947 57 HB3 GLN 84 HB3 GLN 84 -3.708 5.936 -6.092 58 HG2 GLN 84 HG2 GLN 84 -4.530 7.146 -8.020 59 HG3 GLN 84 HG3 GLN 84 -2.995 6.894 -8.894 60 HE21 GLN 84 HE21 GLN 84 -2.353 4.497 -9.256 61 HE22 GLN 84 HE22 GLN 84 -3.682 3.383 -9.507 62 H TYR 85 H TYR 85 -1.524 8.940 -8.195 63 HA TYR 85 HA TYR 85 -3.878 10.801 -8.238 64 HB2 TYR 85 HB2 TYR 85 -0.992 11.600 -8.822 65 HB3 TYR 85 HB3 TYR 85 -2.402 12.641 -8.857 66 HD1 TYR 85 HD2 TYR 85 -3.571 13.280 -6.763 67 HD2 TYR 85 HD1 TYR 85 0.175 11.156 -6.736 68 HE1 TYR 85 HE2 TYR 85 -3.153 14.093 -4.440 69 HE2 TYR 85 HE1 TYR 85 0.609 11.950 -4.423 70 HH TYR 85 HH TYR 85 -0.095 13.328 -2.713 71 H LYS 86 H LYS 86 -4.743 11.036 -10.292 72 HA LYS 86 HA LYS 86 -3.259 9.915 -12.643 73 HB2 LYS 86 HB2 LYS 86 -4.811 8.220 -11.932 74 HB3 LYS 86 HB3 LYS 86 -6.128 9.386 -11.754 75 HG2 LYS 86 HG2 LYS 86 -6.283 9.735 -14.137 76 HG3 LYS 86 HG3 LYS 86 -4.767 8.871 -14.435 77 HD2 LYS 86 HD2 LYS 86 -5.829 6.770 -13.541 78 HD3 LYS 86 HD3 LYS 86 -7.363 7.658 -13.385 79 HE2 LYS 86 HE2 LYS 86 -7.282 8.162 -15.839 80 HE3 LYS 86 HE3 LYS 86 -5.777 7.235 -15.965 81 HZ1 LYS 86 HZ1 LYS 86 -7.704 5.877 -16.589 82 HZ2 LYS 86 HZ2 LYS 86 -7.025 5.245 -15.248 83 HZ3 LYS 86 HZ3 LYS 86 -8.411 6.103 -15.134 84 H ASN 87 H ASN 87 -3.139 11.281 -14.283 85 HA ASN 87 HA ASN 87 -4.464 13.891 -13.976 86 HB2 ASN 87 HB2 ASN 87 -2.075 13.688 -14.255 87 HB3 ASN 87 HB3 ASN 87 -2.276 12.957 -15.841 88 HD21 ASN 87 HD22 ASN 87 -0.879 15.451 -15.067 89 HD22 ASN 87 HD21 ASN 87 -1.728 16.737 -15.923 90 HA PRO 88 HA PRO 88 -7.477 12.473 -17.092 91 HB2 PRO 88 HB2 PRO 88 -9.189 14.641 -16.985 92 HB3 PRO 88 HB3 PRO 88 -9.173 13.294 -15.812 93 HG2 PRO 88 HG2 PRO 88 -7.840 16.003 -15.551 94 HG3 PRO 88 HG3 PRO 88 -8.824 15.124 -14.333 95 HD2 PRO 88 HD2 PRO 88 -6.127 15.078 -14.284 96 HD3 PRO 88 HD3 PRO 88 -7.090 13.620 -13.867 97 H HIS 89 H HIS 89 -5.400 15.258 -17.281 98 HA HIS 89 HA HIS 89 -6.178 15.935 -20.050 99 HB2 HIS 89 HB2 HIS 89 -3.955 17.063 -18.299 100 HB3 HIS 89 HB3 HIS 89 -4.530 17.726 -19.822 101 HD1 HIS 89 HD1 HIS 89 -7.140 18.730 -19.755 102 HD2 HIS 89 HD2 HIS 89 -5.240 17.778 -16.103 103 HE1 HIS 89 HE1 HIS 89 -8.502 19.894 -17.903 104 HE2 HIS 89 HE2 HIS 89 -7.343 19.316 -15.685 105 H THR 90 H THR 90 -3.812 13.873 -18.534 106 HA THR 90 HA THR 90 -2.384 13.538 -21.162 107 HB THR 90 HB THR 90 -0.348 13.150 -19.940 108 HG1 THR 90 HG1 THR 90 -0.368 13.320 -17.670 109 HG21 THR 90 HG21 THR 90 0.051 15.279 -18.853 110 HG22 THR 90 HG22 THR 90 -0.970 15.571 -20.274 111 HG23 THR 90 HG23 THR 90 -1.688 15.558 -18.643 112 H GLY 91 H GLY 91 -3.940 11.828 -18.518 113 HA2 GLY 91 HA2 GLY 91 -4.517 9.597 -18.352 114 HA3 GLY 91 HA3 GLY 91 -3.657 9.228 -19.851 115 H GLU 92 H GLU 92 -1.647 10.974 -17.596 116 HA GLU 92 HA GLU 92 -0.080 8.598 -16.998 117 HB2 GLU 92 HB2 GLU 92 0.279 11.560 -16.526 118 HB3 GLU 92 HB3 GLU 92 1.269 10.379 -15.673 119 HG2 GLU 92 HG2 GLU 92 1.025 10.231 -18.661 120 HG3 GLU 92 HG3 GLU 92 2.146 11.370 -17.874 121 H VAL 93 H VAL 93 0.410 8.020 -14.977 122 HA VAL 93 HA VAL 93 -1.279 8.835 -12.671 123 HB VAL 93 HB VAL 93 -0.495 6.033 -13.394 124 HG11 VAL 93 HG11 VAL 93 -2.288 5.363 -11.733 125 HG12 VAL 93 HG12 VAL 93 -0.954 6.205 -10.961 126 HG13 VAL 93 HG13 VAL 93 -2.474 7.068 -11.285 127 HG21 VAL 93 HG21 VAL 93 -2.965 5.698 -13.931 128 HG22 VAL 93 HG22 VAL 93 -3.147 7.463 -13.811 129 HG23 VAL 93 HG23 VAL 93 -2.108 6.755 -15.061 130 H ILE 94 H ILE 94 -0.391 8.445 -10.686 131 HA ILE 94 HA ILE 94 2.428 7.697 -10.314 132 HB ILE 94 HB ILE 94 1.881 9.948 -8.596 133 HG12 ILE 94 HG12 ILE 94 1.869 10.822 -11.506 134 HG13 ILE 94 HG13 ILE 94 0.466 10.845 -10.422 135 HG21 ILE 94 HG21 ILE 94 4.062 10.642 -9.191 136 HG22 ILE 94 HG22 ILE 94 4.095 8.888 -9.181 137 HG23 ILE 94 HG23 ILE 94 4.010 9.758 -10.740 138 HD11 ILE 94 HD11 ILE 94 1.749 12.300 -8.843 139 HD12 ILE 94 HD12 ILE 94 3.014 12.446 -10.086 140 HD13 ILE 94 HD13 ILE 94 1.385 13.052 -10.419 141 H GLU 95 H GLU 95 2.914 7.601 -8.010 142 HA GLU 95 HA GLU 95 0.747 7.322 -6.036 143 HB2 GLU 95 HB2 GLU 95 2.609 5.132 -6.986 144 HB3 GLU 95 HB3 GLU 95 1.997 5.139 -5.312 145 HG2 GLU 95 HG2 GLU 95 -0.281 5.027 -6.041 146 HG3 GLU 95 HG3 GLU 95 0.188 5.190 -7.742 147 H THR 96 H THR 96 1.443 8.515 -4.344 148 HA THR 96 HA THR 96 4.266 8.339 -3.425 149 HB THR 96 HB THR 96 4.879 10.474 -3.724 150 HG1 THR 96 HG1 THR 96 3.506 12.239 -3.519 151 HG21 THR 96 HG21 THR 96 4.182 9.940 -6.074 152 HG22 THR 96 HG22 THR 96 2.571 10.612 -5.717 153 HG23 THR 96 HG23 THR 96 4.021 11.649 -5.698 154 H LYS 97 H LYS 97 4.538 8.984 -1.186 155 HA LYS 97 HA LYS 97 1.997 8.964 0.412 156 HB2 LYS 97 HB2 LYS 97 4.862 8.759 1.312 157 HB3 LYS 97 HB3 LYS 97 3.447 8.407 2.291 158 HG2 LYS 97 HG2 LYS 97 2.949 6.413 1.012 159 HG3 LYS 97 HG3 LYS 97 4.174 6.802 -0.198 160 HD2 LYS 97 HD2 LYS 97 5.900 6.674 1.727 161 HD3 LYS 97 HD3 LYS 97 4.621 5.905 2.659 162 HE2 LYS 97 HE2 LYS 97 5.957 4.174 1.721 163 HE3 LYS 97 HE3 LYS 97 4.434 4.162 0.831 164 HZ1 LYS 97 HZ1 LYS 97 6.424 4.008 -0.633 165 HZ2 LYS 97 HZ2 LYS 97 5.576 5.362 -0.986 166 HZ3 LYS 97 HZ3 LYS 97 6.956 5.480 -0.135 167 H GLY 98 H GLY 98 3.433 11.296 -1.102 168 HA2 GLY 98 HA2 GLY 98 2.863 13.638 -0.416 169 HA3 GLY 98 HA3 GLY 98 3.713 13.290 1.095 170 H GLY 99 H GLY 99 4.911 15.167 0.482 171 HA2 GLY 99 HA2 GLY 99 6.945 16.040 0.159 172 HA3 GLY 99 HA3 GLY 99 7.505 14.461 -0.358 173 H ASN 100 H ASN 100 8.620 16.674 -1.269 174 HA ASN 100 HA ASN 100 8.010 17.601 -3.878 175 HB2 ASN 100 HB2 ASN 100 9.682 18.709 -2.592 176 HB3 ASN 100 HB3 ASN 100 10.444 17.216 -2.142 177 HD21 ASN 100 HD22 ASN 100 12.315 18.572 -2.607 178 HD22 ASN 100 HD21 ASN 100 13.024 18.210 -4.168 179 H HIS 101 H HIS 101 7.271 16.102 -5.303 180 HA HIS 101 HA HIS 101 9.130 13.950 -6.202 181 HB2 HIS 101 HB2 HIS 101 7.209 13.088 -4.802 182 HB3 HIS 101 HB3 HIS 101 6.098 13.695 -6.025 183 HD1 HIS 101 HD1 HIS 101 9.004 11.080 -5.681 184 HD2 HIS 101 HD2 HIS 101 5.706 12.124 -8.134 185 HE1 HIS 101 HE1 HIS 101 8.728 9.189 -7.378 186 HE2 HIS 101 HE2 HIS 101 6.751 9.820 -8.889 187 H LYS 102 H LYS 102 9.621 14.104 -8.328 188 HA LYS 102 HA LYS 102 9.316 16.396 -9.761 189 HB2 LYS 102 HB2 LYS 102 10.924 14.543 -10.117 190 HB3 LYS 102 HB3 LYS 102 9.722 13.755 -11.156 191 HG2 LYS 102 HG2 LYS 102 9.605 15.766 -12.591 192 HG3 LYS 102 HG3 LYS 102 10.677 16.653 -11.504 193 HD2 LYS 102 HD2 LYS 102 11.430 14.156 -13.042 194 HD3 LYS 102 HD3 LYS 102 11.777 15.827 -13.545 195 HE2 LYS 102 HE2 LYS 102 13.113 16.167 -11.460 196 HE3 LYS 102 HE3 LYS 102 12.812 14.487 -11.003 197 HZ1 LYS 102 HZ1 LYS 102 14.349 15.375 -13.387 198 HZ2 LYS 102 HZ2 LYS 102 14.933 14.662 -12.027 199 HZ3 LYS 102 HZ3 LYS 102 13.990 13.806 -13.054 200 H THR 103 H THR 103 7.441 13.558 -11.020 201 HA THR 103 HA THR 103 5.964 15.108 -12.842 202 HB THR 103 HB THR 103 4.976 12.557 -11.530 203 HG1 THR 103 HG1 THR 103 6.068 11.573 -13.280 204 HG21 THR 103 HG21 THR 103 4.352 14.030 -14.113 205 HG22 THR 103 HG22 THR 103 3.928 12.305 -13.880 206 HG23 THR 103 HG23 THR 103 3.225 13.542 -12.833 207 H LEU 104 H LEU 104 5.116 14.321 -9.487 208 HA LEU 104 HA LEU 104 2.483 15.406 -9.472 209 HB2 LEU 104 HB2 LEU 104 3.467 13.842 -7.785 210 HB3 LEU 104 HB3 LEU 104 4.537 15.126 -7.231 211 HG LEU 104 HG LEU 104 2.638 16.410 -6.388 212 HD11 LEU 104 HD11 LEU 104 0.870 15.721 -7.965 213 HD12 LEU 104 HD12 LEU 104 0.950 14.051 -7.359 214 HD13 LEU 104 HD13 LEU 104 0.380 15.352 -6.306 215 HD21 LEU 104 HD21 LEU 104 2.001 14.905 -4.572 216 HD22 LEU 104 HD22 LEU 104 2.543 13.499 -5.497 217 HD23 LEU 104 HD23 LEU 104 3.721 14.725 -4.943 218 H LYS 105 H LYS 105 5.671 16.938 -8.959 219 HA LYS 105 HA LYS 105 4.583 19.566 -8.286 220 HB2 LYS 105 HB2 LYS 105 7.339 18.586 -9.148 221 HB3 LYS 105 HB3 LYS 105 7.003 20.285 -8.902 222 HG2 LYS 105 HG2 LYS 105 6.716 18.105 -6.782 223 HG3 LYS 105 HG3 LYS 105 8.069 19.214 -6.943 224 HD2 LYS 105 HD2 LYS 105 5.218 19.895 -6.120 225 HD3 LYS 105 HD3 LYS 105 6.686 19.984 -5.150 226 HE2 LYS 105 HE2 LYS 105 7.568 21.777 -6.709 227 HE3 LYS 105 HE3 LYS 105 6.021 21.742 -7.565 228 HZ1 LYS 105 HZ1 LYS 105 6.428 22.509 -4.718 229 HZ2 LYS 105 HZ2 LYS 105 5.926 23.494 -5.936 230 HZ3 LYS 105 HZ3 LYS 105 4.960 22.281 -5.348 231 H GLU 106 H GLU 106 5.364 17.996 -11.396 232 HA GLU 106 HA GLU 106 5.174 20.455 -12.884 233 HB2 GLU 106 HB2 GLU 106 4.489 17.696 -13.938 234 HB3 GLU 106 HB3 GLU 106 5.001 19.133 -14.854 235 HG2 GLU 106 HG2 GLU 106 7.186 18.936 -13.463 236 HG3 GLU 106 HG3 GLU 106 6.540 17.343 -13.018 237 H TRP 107 H TRP 107 2.914 17.858 -12.095 238 HA TRP 107 HA TRP 107 0.659 18.949 -13.459 239 HB2 TRP 107 HB2 TRP 107 0.695 17.258 -10.941 240 HB3 TRP 107 HB3 TRP 107 -0.727 17.598 -11.928 241 HD1 TRP 107 HD1 TRP 107 2.028 16.878 -14.283 242 HE1 TRP 107 HE1 TRP 107 1.941 14.446 -15.075 243 HE3 TRP 107 HE3 TRP 107 -1.388 15.034 -10.934 244 HZ2 TRP 107 HZ2 TRP 107 0.807 11.989 -14.199 245 HZ3 TRP 107 HZ3 TRP 107 -2.042 12.644 -11.040 246 HH2 TRP 107 HH2 TRP 107 -0.919 11.101 -12.631 247 H LYS 108 H LYS 108 1.829 19.700 -10.174 248 HA LYS 108 HA LYS 108 -0.340 21.501 -9.499 249 HB2 LYS 108 HB2 LYS 108 2.564 21.379 -8.547 250 HB3 LYS 108 HB3 LYS 108 1.349 22.492 -7.907 251 HG2 LYS 108 HG2 LYS 108 -0.101 20.541 -7.323 252 HG3 LYS 108 HG3 LYS 108 1.199 19.456 -7.825 253 HD2 LYS 108 HD2 LYS 108 2.725 20.625 -6.189 254 HD3 LYS 108 HD3 LYS 108 1.336 21.582 -5.632 255 HE2 LYS 108 HE2 LYS 108 0.146 19.346 -5.158 256 HE3 LYS 108 HE3 LYS 108 1.649 18.534 -5.581 257 HZ1 LYS 108 HZ1 LYS 108 1.770 18.761 -3.314 258 HZ2 LYS 108 HZ2 LYS 108 2.686 20.068 -3.807 259 HZ3 LYS 108 HZ3 LYS 108 1.154 20.289 -3.261 260 H ALA 109 H ALA 109 2.728 21.972 -11.310 261 HA ALA 109 HA ALA 109 2.556 24.819 -11.455 262 HB1 ALA 109 HB1 ALA 109 4.615 23.402 -11.906 263 HB2 ALA 109 HB2 ALA 109 3.860 22.882 -13.435 264 HB3 ALA 109 HB3 ALA 109 4.249 24.583 -13.192 265 H LYS 110 H LYS 110 1.721 22.203 -13.696 266 HA LYS 110 HA LYS 110 0.846 23.803 -15.725 267 HB2 LYS 110 HB2 LYS 110 0.684 20.859 -15.138 268 HB3 LYS 110 HB3 LYS 110 -0.017 21.505 -16.639 269 HG2 LYS 110 HG2 LYS 110 2.168 22.466 -17.266 270 HG3 LYS 110 HG3 LYS 110 2.883 21.878 -15.765 271 HD2 LYS 110 HD2 LYS 110 3.548 20.296 -17.399 272 HD3 LYS 110 HD3 LYS 110 2.254 19.521 -16.497 273 HE2 LYS 110 HE2 LYS 110 1.737 19.021 -18.740 274 HE3 LYS 110 HE3 LYS 110 0.646 20.345 -18.335 275 HZ1 LYS 110 HZ1 LYS 110 2.184 21.875 -19.496 276 HZ2 LYS 110 HZ2 LYS 110 3.210 20.643 -19.836 277 HZ3 LYS 110 HZ3 LYS 110 1.722 20.680 -20.501 278 H TRP 111 H TRP 111 -1.062 22.231 -13.211 279 HA TRP 111 HA TRP 111 -3.569 23.518 -14.266 280 HB2 TRP 111 HB2 TRP 111 -3.325 20.705 -13.164 281 HB3 TRP 111 HB3 TRP 111 -4.814 21.503 -13.649 282 HD1 TRP 111 HD1 TRP 111 -5.142 21.994 -16.305 283 HE1 TRP 111 HE1 TRP 111 -4.221 20.812 -18.392 284 HE3 TRP 111 HE3 TRP 111 -1.362 19.375 -14.120 285 HZ2 TRP 111 HZ2 TRP 111 -2.080 18.959 -19.031 286 HZ3 TRP 111 HZ3 TRP 111 0.193 17.992 -15.509 287 HH2 TRP 111 HH2 TRP 111 -0.196 17.717 -17.928 288 H GLY 112 H GLY 112 -2.202 21.984 -11.269 289 HA2 GLY 112 HA2 GLY 112 -2.049 23.931 -9.548 290 HA3 GLY 112 HA3 GLY 112 -3.802 23.937 -9.624 291 HA PRO 113 HA PRO 113 -2.077 20.697 -6.532 292 HB2 PRO 113 HB2 PRO 113 -2.384 22.076 -4.131 293 HB3 PRO 113 HB3 PRO 113 -0.869 21.940 -5.067 294 HG2 PRO 113 HG2 PRO 113 -2.877 24.197 -5.069 295 HG3 PRO 113 HG3 PRO 113 -1.081 24.284 -5.033 296 HD2 PRO 113 HD2 PRO 113 -2.494 24.664 -7.318 297 HD3 PRO 113 HD3 PRO 113 -0.918 23.814 -7.333 298 H GLU 114 H GLU 114 -4.828 22.958 -6.325 299 HA GLU 114 HA GLU 114 -6.591 21.384 -4.728 300 HB2 GLU 114 HB2 GLU 114 -7.411 23.137 -7.058 301 HB3 GLU 114 HB3 GLU 114 -8.302 22.729 -5.575 302 HG2 GLU 114 HG2 GLU 114 -6.492 24.008 -4.302 303 HG3 GLU 114 HG3 GLU 114 -5.874 24.508 -5.887 304 H ALA 115 H ALA 115 -6.116 21.640 -8.189 305 HA ALA 115 HA ALA 115 -8.018 19.773 -9.144 306 HB1 ALA 115 HB1 ALA 115 -6.631 21.520 -10.436 307 HB2 ALA 115 HB2 ALA 115 -5.292 20.315 -10.422 308 HB3 ALA 115 HB3 ALA 115 -6.819 19.923 -11.218 309 H VAL 116 H VAL 116 -4.534 19.459 -8.608 310 HA VAL 116 HA VAL 116 -4.178 16.842 -9.221 311 HB VAL 116 HB VAL 116 -2.710 18.794 -7.453 312 HG11 VAL 116 HG11 VAL 116 -0.728 17.391 -7.441 313 HG12 VAL 116 HG12 VAL 116 -2.026 16.632 -6.528 314 HG13 VAL 116 HG13 VAL 116 -1.656 16.039 -8.161 315 HG21 VAL 116 HG21 VAL 116 -2.875 19.051 -9.980 316 HG22 VAL 116 HG22 VAL 116 -1.217 18.909 -9.356 317 HG23 VAL 116 HG23 VAL 116 -2.025 17.513 -10.119 318 H GLU 117 H GLU 117 -4.851 18.170 -5.938 319 HA GLU 117 HA GLU 117 -4.924 15.618 -4.572 320 HB2 GLU 117 HB2 GLU 117 -6.086 18.409 -4.079 321 HB3 GLU 117 HB3 GLU 117 -6.461 17.082 -2.995 322 HG2 GLU 117 HG2 GLU 117 -3.570 17.724 -3.616 323 HG3 GLU 117 HG3 GLU 117 -4.487 18.702 -2.471 324 H SER 118 H SER 118 -7.385 17.506 -6.359 325 HA SER 118 HA SER 118 -9.650 15.956 -5.438 326 HB2 SER 118 HB2 SER 118 -9.388 17.639 -7.960 327 HB3 SER 118 HB3 SER 118 -10.886 16.976 -7.301 328 HG SER 118 HG SER 118 -9.169 18.922 -6.147 329 H TRP 119 H TRP 119 -7.384 15.567 -8.121 330 HA TRP 119 HA TRP 119 -8.754 13.338 -9.368 331 HB2 TRP 119 HB2 TRP 119 -5.802 14.015 -9.460 332 HB3 TRP 119 HB3 TRP 119 -6.731 13.048 -10.590 333 HD1 TRP 119 HD1 TRP 119 -9.093 15.465 -10.763 334 HE1 TRP 119 HE1 TRP 119 -8.586 17.454 -12.288 335 HE3 TRP 119 HE3 TRP 119 -4.028 14.840 -11.237 336 HZ2 TRP 119 HZ2 TRP 119 -6.261 18.659 -13.525 337 HZ3 TRP 119 HZ3 TRP 119 -2.701 16.400 -12.652 338 HH2 TRP 119 HH2 TRP 119 -3.798 18.310 -13.778 339 H ALA 120 H ALA 120 -7.058 13.429 -6.322 340 HA ALA 120 HA ALA 120 -5.573 11.063 -6.663 341 HB1 ALA 120 HB1 ALA 120 -6.370 12.190 -3.971 342 HB2 ALA 120 HB2 ALA 120 -4.890 11.310 -4.433 343 HB3 ALA 120 HB3 ALA 120 -5.156 12.973 -4.999 344 H THR 121 H THR 121 -5.589 9.429 -5.214 345 HA THR 121 HA THR 121 -8.112 7.937 -4.461 346 HB THR 121 HB THR 121 -5.748 6.923 -6.075 347 HG1 THR 121 HG1 THR 121 -8.429 7.384 -6.959 348 HG21 THR 121 HG21 THR 121 -8.367 5.703 -5.123 349 HG22 THR 121 HG22 THR 121 -7.399 4.958 -6.429 350 HG23 THR 121 HG23 THR 121 -6.719 5.101 -4.804 351 H LEU 122 H LEU 122 -7.812 6.640 -2.694 352 HA LEU 122 HA LEU 122 -5.278 7.026 -1.167 353 HB2 LEU 122 HB2 LEU 122 -7.251 7.817 -0.056 354 HB3 LEU 122 HB3 LEU 122 -8.139 6.339 -0.421 355 HG LEU 122 HG LEU 122 -6.702 5.038 1.105 356 HD11 LEU 122 HD11 LEU 122 -5.154 6.124 2.655 357 HD12 LEU 122 HD12 LEU 122 -4.588 6.314 0.999 358 HD13 LEU 122 HD13 LEU 122 -5.369 7.681 1.815 359 HD21 LEU 122 HD21 LEU 122 -8.760 6.116 1.959 360 HD22 LEU 122 HD22 LEU 122 -7.509 5.999 3.210 361 HD23 LEU 122 HD23 LEU 122 -7.818 7.554 2.409 362 H LEU 123 H LEU 123 -3.911 5.405 -1.013 363 HA LEU 123 HA LEU 123 -4.783 2.587 -1.452 364 HB2 LEU 123 HB2 LEU 123 -2.222 4.006 -2.288 365 HB3 LEU 123 HB3 LEU 123 -2.552 2.278 -2.487 366 HG LEU 123 HG LEU 123 -4.066 4.597 -3.789 367 HD11 LEU 123 HD11 LEU 123 -1.829 4.274 -4.670 368 HD12 LEU 123 HD12 LEU 123 -2.087 2.532 -4.857 369 HD13 LEU 123 HD13 LEU 123 -3.009 3.664 -5.862 370 HD21 LEU 123 HD21 LEU 123 -5.572 2.632 -3.492 371 HD22 LEU 123 HD22 LEU 123 -5.139 2.841 -5.188 372 HD23 LEU 123 HD23 LEU 123 -4.348 1.572 -4.212 373 H GLY 124 H GLY 124 -4.612 1.373 0.177 374 HA2 GLY 124 HA2 GLY 124 -3.141 2.139 2.596 375 HA3 GLY 124 HA3 GLY 124 -4.241 0.775 2.402 376 H HIS 125 H HIS 125 -2.231 0.239 -0.072 377 HA HIS 125 HA HIS 125 0.142 -0.799 1.280 378 HB2 HIS 125 HB2 HIS 125 -0.235 -3.135 0.486 379 HB3 HIS 125 HB3 HIS 125 -1.299 -2.626 1.785 380 HD1 HIS 125 HD1 HIS 125 -1.985 -1.914 -1.939 381 HD2 HIS 125 HD2 HIS 125 -3.340 -4.228 1.316 382 HE1 HIS 125 HE1 HIS 125 -4.179 -3.082 -2.725 383 HE2 HIS 125 HE2 HIS 125 -4.992 -4.475 -0.711 384 H5' DC 1 H5' DC 1 -4.660 29.346 7.465 385 H5'' DC 1 H5'' DC 1 -3.273 30.163 6.757 386 H4' DC 1 H4' DC 1 -2.970 30.087 9.120 387 H3' DC 1 H3' DC 1 -1.115 28.973 7.343 388 H2' DC 1 H2' DC 1 -1.254 26.810 7.908 389 H2'' DC 1 H2'' DC 1 -0.274 27.210 9.308 390 H1' DC 1 H1' DC 1 -2.037 27.382 10.762 391 H41 DC 1 H41 DC 1 -4.878 21.742 8.769 392 H42 DC 1 H42 DC 1 -4.782 21.746 10.536 393 H5 DC 1 H5 DC 1 -4.050 23.653 7.427 394 H6 DC 1 H6 DC 1 -3.074 25.864 7.604 395 HO5' DC 1 H5T DC 1 -3.910 28.258 5.547 396 H5' DG 2 H5' DG 2 0.222 29.278 11.903 397 H5'' DG 2 H5'' DG 2 1.815 30.030 11.960 398 H4' DG 2 H4' DG 2 1.794 28.471 13.699 399 H3' DG 2 H3' DG 2 3.675 28.122 11.632 400 H2' DG 2 H2' DG 2 2.648 26.242 10.742 401 H2'' DG 2 H2'' DG 2 3.683 25.415 11.917 402 H1' DG 2 H1' DG 2 1.956 25.348 13.572 403 H8 DG 2 H8 DG 2 0.766 25.426 9.934 404 H1 DG 2 H1 DG 2 -1.294 20.374 13.367 405 H21 DG 2 H21 DG 2 0.529 21.855 15.872 406 H22 DG 2 H22 DG 2 -0.470 20.488 15.366 407 H5' DC 3 H5' DC 3 4.049 25.635 15.634 408 H5'' DC 3 H5'' DC 3 5.736 25.570 16.151 409 H4' DC 3 H4' DC 3 4.616 23.548 16.795 410 H3' DC 3 H3' DC 3 6.885 23.471 14.968 411 H2' DC 3 H2' DC 3 6.080 21.968 13.502 412 H2'' DC 3 H2'' DC 3 6.000 20.762 14.795 413 H1' DC 3 H1' DC 3 3.791 21.082 15.225 414 H41 DC 3 H41 DC 3 1.788 21.626 8.942 415 H42 DC 3 H42 DC 3 1.113 20.163 9.674 416 H5 DC 3 H5 DC 3 3.399 23.029 10.164 417 H6 DC 3 H6 DC 3 4.456 23.337 12.395 418 H5' DA 4 H5' DA 4 5.970 19.731 17.303 419 H5'' DA 4 H5'' DA 4 7.377 19.020 18.099 420 H4' DA 4 H4' DA 4 6.107 17.241 17.237 421 H3' DA 4 H3' DA 4 8.752 17.673 16.176 422 H2' DA 4 H2' DA 4 8.011 18.010 14.033 423 H2'' DA 4 H2'' DA 4 8.016 16.250 13.935 424 H1' DA 4 H1' DA 4 5.697 16.081 14.563 425 H8 DA 4 H8 DA 4 6.679 19.395 12.942 426 H61 DA 4 H61 DA 4 2.550 17.778 8.534 427 H62 DA 4 H62 DA 4 3.584 19.088 9.090 428 H2 DA 4 H2 DA 4 2.833 14.494 11.358 429 H5' DT 5 H5' DT 5 6.895 13.488 15.407 430 H5'' DT 5 H5'' DT 5 8.067 12.230 15.818 431 H4' DT 5 H4' DT 5 6.903 11.497 13.909 432 H3' DT 5 H3' DT 5 9.734 11.922 13.749 433 H2' DT 5 H2' DT 5 9.611 13.520 12.107 434 H2'' DT 5 H2'' DT 5 9.459 12.135 11.008 435 H1' DT 5 H1' DT 5 7.087 12.174 11.056 436 H3 DT 5 H3 DT 5 5.536 15.333 8.223 437 H71 DT 5 H71 DT 5 9.342 17.974 9.640 438 H72 DT 5 H72 DT 5 8.085 18.627 10.691 439 H73 DT 5 H73 DT 5 9.372 17.608 11.379 440 H6 DT 5 H6 DT 5 8.804 15.437 11.782 441 H5' DA 6 H5' DA 6 7.272 9.097 10.931 442 H5'' DA 6 H5'' DA 6 8.180 7.598 10.732 443 H4' DA 6 H4' DA 6 6.819 7.884 8.830 444 H3' DA 6 H3' DA 6 9.582 7.572 8.540 445 H2' DA 6 H2' DA 6 10.080 9.726 7.966 446 H2'' DA 6 H2'' DA 6 9.684 9.197 6.343 447 H1' DA 6 H1' DA 6 7.513 10.061 6.396 448 H8 DA 6 H8 DA 6 9.971 11.642 8.887 449 H61 DA 6 H61 DA 6 8.318 16.961 6.033 450 H62 DA 6 H62 DA 6 9.464 16.284 7.189 451 H2 DA 6 H2 DA 6 5.889 13.773 4.404 452 H5' DT 7 H5' DT 7 6.816 7.881 5.092 453 H5'' DT 7 H5'' DT 7 7.028 6.713 3.787 454 H4' DT 7 H4' DT 7 6.236 8.856 2.955 455 H3' DT 7 H3' DT 7 8.533 7.548 1.893 456 H2' DT 7 H2' DT 7 9.995 9.225 2.622 457 H2'' DT 7 H2'' DT 7 9.522 9.975 1.076 458 H1' DT 7 H1' DT 7 7.683 11.156 2.089 459 H3 DT 7 H3 DT 7 9.826 14.941 3.290 460 H71 DT 7 H71 DT 7 12.101 10.797 6.010 461 H72 DT 7 H72 DT 7 13.104 12.151 5.446 462 H73 DT 7 H73 DT 7 11.979 12.393 6.787 463 H6 DT 7 H6 DT 7 10.369 10.315 4.512 464 H5' DA 8 H5' DA 8 7.384 10.818 -1.415 465 H5'' DA 8 H5'' DA 8 7.469 9.918 -2.927 466 H4' DA 8 H4' DA 8 8.723 11.835 -3.348 467 H3' DA 8 H3' DA 8 10.369 9.425 -3.007 468 H2' DA 8 H2' DA 8 11.794 10.387 -1.542 469 H2'' DA 8 H2'' DA 8 12.409 11.324 -2.934 470 H1' DA 8 H1' DA 8 11.023 13.156 -2.517 471 H8 DA 8 H8 DA 8 11.552 11.020 0.747 472 H61 DA 8 H61 DA 8 13.393 16.616 2.980 473 H62 DA 8 H62 DA 8 13.110 14.961 3.517 474 H2 DA 8 H2 DA 8 12.280 17.145 -1.063 475 H5' DT 9 H5' DT 9 11.036 12.830 -6.169 476 H5'' DT 9 H5'' DT 9 11.775 12.110 -7.608 477 H4' DT 9 H4' DT 9 12.395 14.423 -7.501 478 H3' DT 9 H3' DT 9 14.331 12.352 -7.526 479 H2' DT 9 H2' DT 9 15.280 12.740 -5.529 480 H2'' DT 9 H2'' DT 9 16.102 14.095 -6.281 481 H1' DT 9 H1' DT 9 14.573 15.692 -5.578 482 H3 DT 9 H3 DT 9 15.409 16.416 -1.204 483 H71 DT 9 H71 DT 9 14.609 11.059 -1.918 484 H72 DT 9 H72 DT 9 15.960 11.619 -0.910 485 H73 DT 9 H73 DT 9 14.310 11.805 -0.329 486 H6 DT 9 H6 DT 9 14.225 12.470 -3.725 487 H5' DG 10 H5' DG 10 15.229 16.805 -8.126 488 H5'' DG 10 H5'' DG 10 16.137 16.997 -9.625 489 H4' DG 10 H4' DG 10 16.668 18.843 -8.256 490 H3' DG 10 H3' DG 10 18.681 17.171 -9.211 491 H2' DG 10 H2' DG 10 19.060 16.083 -7.191 492 H2'' DG 10 H2'' DG 10 20.216 17.399 -6.959 493 H1' DG 10 H1' DG 10 18.691 18.713 -5.707 494 H8 DG 10 H8 DG 10 18.000 14.956 -5.651 495 H1 DG 10 H1 DG 10 19.134 17.588 0.113 496 H21 DG 10 H21 DG 10 19.576 20.445 -1.737 497 H22 DG 10 H22 DG 10 19.673 19.657 -0.158 498 H5' DC 11 H5' DC 11 19.926 21.219 -6.997 499 H5'' DC 11 H5'' DC 11 21.048 22.023 -8.092 500 H4' DC 11 H4' DC 11 21.531 22.719 -5.870 501 H3' DC 11 H3' DC 11 23.503 21.612 -7.510 502 H2' DC 11 H2' DC 11 23.738 19.589 -6.434 503 H2'' DC 11 H2'' DC 11 24.815 20.476 -5.360 504 H1' DC 11 H1' DC 11 23.199 20.853 -3.742 505 H41 DC 11 H41 DC 11 21.216 14.561 -3.313 506 H42 DC 11 H42 DC 11 21.510 15.195 -1.691 507 H5 DC 11 H5 DC 11 21.622 15.903 -5.296 508 H6 DC 11 H6 DC 11 22.222 18.193 -6.058 509 H5' DG 12 H5' DG 12 25.373 23.059 -3.528 510 H5'' DG 12 H5'' DG 12 26.985 23.759 -3.726 511 H4' DG 12 H4' DG 12 27.067 22.167 -1.947 512 H3' DG 12 H3' DG 12 28.425 21.230 -4.468 513 HO3' DG 12 H3T DG 12 30.271 21.552 -3.100 514 H2' DG 12 H2' DG 12 28.453 19.085 -3.800 515 H2'' DG 12 H2'' DG 12 28.994 19.509 -2.155 516 H1' DG 12 H1' DG 12 26.873 19.580 -1.309 517 H8 DG 12 H8 DG 12 26.223 18.497 -4.937 518 H1 DG 12 H1 DG 12 24.649 14.224 -0.360 519 H21 DG 12 H21 DG 12 26.000 16.624 1.714 520 H22 DG 12 H22 DG 12 25.367 14.982 1.580 521 H5' DC 13 H5' DC 13 24.838 7.614 4.782 522 H5'' DC 13 H5'' DC 13 24.163 7.747 6.400 523 H4' DC 13 H4' DC 13 25.619 9.614 5.981 524 H3' DC 13 H3' DC 13 22.983 9.886 6.821 525 H2' DC 13 H2' DC 13 22.128 10.735 4.833 526 H2'' DC 13 H2'' DC 13 22.665 12.285 5.517 527 H1' DC 13 H1' DC 13 24.739 12.218 4.430 528 H41 DC 13 H41 DC 13 22.105 11.617 -1.602 529 H42 DC 13 H42 DC 13 23.339 12.881 -1.646 530 H5 DC 13 H5 DC 13 21.558 10.400 0.455 531 H6 DC 13 H6 DC 13 22.206 10.127 2.786 532 HO5' DC 13 H5T DC 13 22.567 7.094 4.811 533 H5' DG 14 H5' DG 14 25.707 14.062 7.036 534 H5'' DG 14 H5'' DG 14 25.405 14.520 8.708 535 H4' DG 14 H4' DG 14 25.759 16.522 7.605 536 H3' DG 14 H3' DG 14 23.299 16.144 8.841 537 H2' DG 14 H2' DG 14 22.060 15.765 6.897 538 H2'' DG 14 H2'' DG 14 21.902 17.502 6.912 539 H1' DG 14 H1' DG 14 23.607 17.854 5.374 540 H8 DG 14 H8 DG 14 22.091 14.351 5.294 541 H1 DG 14 H1 DG 14 22.395 17.330 -0.412 542 H21 DG 14 H21 DG 14 23.892 19.814 1.426 543 H22 DG 14 H22 DG 14 23.283 19.282 -0.146 544 H5' DC 15 H5' DC 15 23.883 20.186 6.800 545 H5'' DC 15 H5'' DC 15 23.184 21.603 7.590 546 H4' DC 15 H4' DC 15 22.769 21.632 5.204 547 H3' DC 15 H3' DC 15 20.414 21.368 7.015 548 H2' DC 15 H2' DC 15 19.115 20.416 5.449 549 H2'' DC 15 H2'' DC 15 19.487 21.689 4.269 550 H1' DC 15 H1' DC 15 21.218 20.585 3.312 551 H41 DC 15 H41 DC 15 18.428 14.605 3.075 552 H42 DC 15 H42 DC 15 18.472 15.323 1.455 553 H5 DC 15 H5 DC 15 19.099 15.915 5.053 554 H6 DC 15 H6 DC 15 20.114 18.074 5.739 555 H5' DA 16 H5' DA 16 20.593 23.779 3.314 556 H5'' DA 16 H5'' DA 16 20.033 25.443 3.469 557 H4' DA 16 H4' DA 16 19.481 24.738 1.304 558 H3' DA 16 H3' DA 16 17.432 25.528 3.093 559 H2' DA 16 H2' DA 16 16.552 23.403 3.300 560 H2'' DA 16 H2'' DA 16 15.595 23.889 1.900 561 H1' DA 16 H1' DA 16 17.142 22.915 0.341 562 H8 DA 16 H8 DA 16 17.209 21.377 3.831 563 H61 DA 16 H61 DA 16 15.680 16.073 0.876 564 H62 DA 16 H62 DA 16 16.191 16.720 2.428 565 H2 DA 16 H2 DA 16 15.505 19.297 -2.009 566 H5' DT 17 H5' DT 17 15.966 24.861 -1.197 567 H5'' DT 17 H5'' DT 17 14.902 26.152 -1.765 568 H4' DT 17 H4' DT 17 14.015 24.067 -2.502 569 H3' DT 17 H3' DT 17 12.460 25.715 -0.694 570 H2' DT 17 H2' DT 17 12.161 24.050 0.846 571 H2'' DT 17 H2'' DT 17 10.934 23.415 -0.263 572 H1' DT 17 H1' DT 17 12.494 22.012 -1.405 573 H3 DT 17 H3 DT 17 12.898 18.226 1.030 574 H71 DT 17 H71 DT 17 12.851 21.060 4.941 575 H72 DT 17 H72 DT 17 14.587 20.917 4.649 576 H73 DT 17 H73 DT 17 13.757 22.462 4.338 577 H6 DT 17 H6 DT 17 13.403 22.884 2.122 578 H5' DA 18 H5' DA 18 10.461 22.483 -2.993 579 H5'' DA 18 H5'' DA 18 9.102 23.081 -3.947 580 H4' DA 18 H4' DA 18 8.430 20.973 -3.284 581 H3' DA 18 H3' DA 18 7.026 23.129 -1.894 582 H2' DA 18 H2' DA 18 7.507 22.336 0.161 583 H2'' DA 18 H2'' DA 18 6.207 21.165 -0.170 584 H1' DA 18 H1' DA 18 7.709 19.527 -0.932 585 H8 DA 18 H8 DA 18 9.079 21.943 1.724 586 H61 DA 18 H61 DA 18 10.877 16.527 4.422 587 H62 DA 18 H62 DA 18 10.790 18.258 4.764 588 H2 DA 18 H2 DA 18 9.480 15.645 0.512 589 H5' DT 19 H5' DT 19 5.784 18.836 -2.391 590 H5'' DT 19 H5'' DT 19 4.240 18.813 -3.250 591 H4' DT 19 H4' DT 19 3.988 17.006 -1.778 592 H3' DT 19 H3' DT 19 2.410 19.309 -1.106 593 H2' DT 19 H2' DT 19 3.711 19.889 0.694 594 H2'' DT 19 H2'' DT 19 2.560 18.806 1.523 595 H1' DT 19 H1' DT 19 3.965 16.866 1.119 596 H3 DT 19 H3 DT 19 6.936 16.488 4.438 597 H71 DT 19 H71 DT 19 6.095 21.311 4.809 598 H72 DT 19 H72 DT 19 7.751 21.214 4.222 599 H73 DT 19 H73 DT 19 6.461 21.764 3.128 600 H6 DT 19 H6 DT 19 5.404 20.181 1.767 601 H5' DA 20 H5' DA 20 -1.362 15.575 -0.194 602 H5'' DA 20 H5'' DA 20 -0.037 16.298 0.707 603 H4' DA 20 H4' DA 20 -0.044 13.352 -0.023 604 H3' DA 20 H3' DA 20 -1.933 14.633 1.567 605 H2' DA 20 H2' DA 20 -0.491 15.582 3.066 606 H2'' DA 20 H2'' DA 20 -0.674 14.049 3.925 607 H1' DA 20 H1' DA 20 1.326 13.154 3.109 608 H8 DA 20 H8 DA 20 1.648 16.921 2.209 609 H61 DA 20 H61 DA 20 5.182 17.387 7.288 610 H62 DA 20 H62 DA 20 4.425 18.297 5.982 611 H2 DA 20 H2 DA 20 3.879 13.258 7.006 612 H5' DT 21 H5' DT 21 -0.476 11.193 3.915 613 H5'' DT 21 H5'' DT 21 -1.829 10.067 4.002 614 H4' DT 21 H4' DT 21 -0.740 9.789 6.034 615 H3' DT 21 H3' DT 21 -3.334 10.737 6.118 616 H2' DT 21 H2' DT 21 -2.867 12.947 6.626 617 H2'' DT 21 H2'' DT 21 -2.898 12.320 8.293 618 H1' DT 21 H1' DT 21 -0.614 12.025 8.413 619 H3 DT 21 H3 DT 21 1.908 15.745 8.763 620 H71 DT 21 H71 DT 21 -1.383 17.922 6.005 621 H72 DT 21 H72 DT 21 -0.246 17.411 4.757 622 H73 DT 21 H73 DT 21 -1.841 16.624 4.883 623 H6 DT 21 H6 DT 21 -1.718 14.515 5.802 624 H5' DG 22 H5' DG 22 -1.300 9.898 10.204 625 H5'' DG 22 H5'' DG 22 -2.407 9.079 11.320 626 H4' DG 22 H4' DG 22 -1.230 10.689 12.581 627 H3' DG 22 H3' DG 22 -4.078 11.016 12.291 628 H2' DG 22 H2' DG 22 -3.854 13.066 11.225 629 H2'' DG 22 H2'' DG 22 -3.739 13.677 12.898 630 H1' DG 22 H1' DG 22 -1.340 13.471 12.892 631 H8 DG 22 H8 DG 22 -2.954 14.309 9.513 632 H1 DG 22 H1 DG 22 1.124 18.710 11.892 633 H21 DG 22 H21 DG 22 1.355 16.451 14.476 634 H22 DG 22 H22 DG 22 1.792 18.046 13.852 635 H5' DC 23 H5' DC 23 -1.435 12.646 15.877 636 H5'' DC 23 H5'' DC 23 -2.297 12.151 17.336 637 H4' DC 23 H4' DC 23 -0.935 13.989 17.910 638 H3' DC 23 H3' DC 23 -3.695 14.072 18.323 639 H2' DC 23 H2' DC 23 -4.232 15.611 16.696 640 H2'' DC 23 H2'' DC 23 -3.789 16.804 17.898 641 H1' DC 23 H1' DC 23 -1.631 17.102 17.090 642 H41 DC 23 H41 DC 23 -3.748 18.073 10.896 643 H42 DC 23 H42 DC 23 -2.721 19.427 11.383 644 H5 DC 23 H5 DC 23 -4.230 16.225 12.413 645 H6 DC 23 H6 DC 23 -3.706 15.324 14.668 646 H5' DG 24 H5' DG 24 -1.851 17.854 20.158 647 H5'' DG 24 H5'' DG 24 -2.616 18.325 21.677 648 H4' DG 24 H4' DG 24 -2.562 20.259 20.307 649 H3' DG 24 H3' DG 24 -5.328 19.042 20.363 650 HO3' DG 24 H3T DG 24 -4.651 20.223 22.245 651 H2' DG 24 H2' DG 24 -6.011 20.270 18.623 652 H2'' DG 24 H2'' DG 24 -5.234 21.753 19.234 653 H1' DG 24 H1' DG 24 -3.294 21.398 18.082 654 H8 DG 24 H8 DG 24 -5.463 18.470 16.866 655 H1 DG 24 H1 DG 24 -3.964 22.967 12.477 656 H21 DG 24 H21 DG 24 -2.309 24.373 15.161 657 H22 DG 24 H22 DG 24 -2.804 24.559 13.479 Start of MODEL 10 1 H ALA 79 H1 ALA 79 -1.911 6.590 9.015 2 HA ALA 79 HA ALA 79 0.978 6.056 9.407 3 HB1 ALA 79 HB1 ALA 79 -0.391 4.009 9.351 4 HB2 ALA 79 HB2 ALA 79 -1.236 4.590 7.901 5 HB3 ALA 79 HB3 ALA 79 0.501 4.164 7.821 6 H ARG 80 H ARG 80 2.284 6.184 7.559 7 HA ARG 80 HA ARG 80 1.801 8.421 5.780 8 HB2 ARG 80 HB2 ARG 80 4.023 6.360 5.933 9 HB3 ARG 80 HB3 ARG 80 4.040 7.719 4.798 10 HG2 ARG 80 HG2 ARG 80 3.626 8.141 7.774 11 HG3 ARG 80 HG3 ARG 80 5.248 7.979 7.097 12 HD2 ARG 80 HD2 ARG 80 5.052 9.978 5.837 13 HD3 ARG 80 HD3 ARG 80 3.296 9.996 5.977 14 HE ARG 80 HE ARG 80 5.270 10.746 8.086 15 HH11 ARG 80 HH12 ARG 80 1.851 10.662 7.157 16 HH12 ARG 80 HH11 ARG 80 1.445 11.696 8.496 17 HH21 ARG 80 HH22 ARG 80 4.519 12.187 9.632 18 HH22 ARG 80 HH21 ARG 80 2.789 12.432 9.821 19 H LYS 81 H LYS 81 -0.314 7.357 5.116 20 HA LYS 81 HA LYS 81 -0.594 5.288 3.218 21 HB2 LYS 81 HB2 LYS 81 -2.194 7.816 3.844 22 HB3 LYS 81 HB3 LYS 81 -2.757 6.563 2.746 23 HG2 LYS 81 HG2 LYS 81 -3.152 5.020 4.425 24 HG3 LYS 81 HG3 LYS 81 -1.966 5.716 5.536 25 HD2 LYS 81 HD2 LYS 81 -3.362 7.592 6.056 26 HD3 LYS 81 HD3 LYS 81 -4.557 7.142 4.811 27 HE2 LYS 81 HE2 LYS 81 -5.215 5.174 5.989 28 HE3 LYS 81 HE3 LYS 81 -3.832 5.252 7.086 29 HZ1 LYS 81 HZ1 LYS 81 -5.921 6.065 8.122 30 HZ2 LYS 81 HZ2 LYS 81 -4.754 7.215 8.117 31 HZ3 LYS 81 HZ3 LYS 81 -6.002 7.297 7.049 32 H VAL 82 H VAL 82 -0.329 5.170 1.253 33 HA VAL 82 HA VAL 82 0.912 7.154 -0.487 34 HB VAL 82 HB VAL 82 -0.357 4.451 -1.063 35 HG11 VAL 82 HG11 VAL 82 0.988 4.580 -3.206 36 HG12 VAL 82 HG12 VAL 82 -0.407 5.647 -3.132 37 HG13 VAL 82 HG13 VAL 82 1.230 6.313 -2.887 38 HG21 VAL 82 HG21 VAL 82 1.859 3.574 -1.165 39 HG22 VAL 82 HG22 VAL 82 2.570 5.175 -0.925 40 HG23 VAL 82 HG23 VAL 82 1.644 4.388 0.395 41 H LYS 83 H LYS 83 -0.056 8.576 -1.803 42 HA LYS 83 HA LYS 83 -2.934 8.247 -2.472 43 HB2 LYS 83 HB2 LYS 83 -1.235 10.685 -2.060 44 HB3 LYS 83 HB3 LYS 83 -2.378 10.695 -3.424 45 HG2 LYS 83 HG2 LYS 83 -4.258 10.194 -2.030 46 HG3 LYS 83 HG3 LYS 83 -3.226 10.028 -0.589 47 HD2 LYS 83 HD2 LYS 83 -2.581 12.343 -0.678 48 HD3 LYS 83 HD3 LYS 83 -3.361 12.571 -2.261 49 HE2 LYS 83 HE2 LYS 83 -5.521 12.429 -1.418 50 HE3 LYS 83 HE3 LYS 83 -4.995 11.690 0.121 51 HZ1 LYS 83 HZ1 LYS 83 -4.061 13.737 0.805 52 HZ2 LYS 83 HZ2 LYS 83 -4.293 14.448 -0.694 53 HZ3 LYS 83 HZ3 LYS 83 -5.568 14.100 0.288 54 H GLN 84 H GLN 84 -3.322 7.569 -4.437 55 HA GLN 84 HA GLN 84 -1.165 7.584 -6.461 56 HB2 GLN 84 HB2 GLN 84 -2.109 5.580 -6.945 57 HB3 GLN 84 HB3 GLN 84 -3.597 5.927 -6.056 58 HG2 GLN 84 HG2 GLN 84 -4.430 7.192 -7.967 59 HG3 GLN 84 HG3 GLN 84 -2.922 6.874 -8.870 60 HE21 GLN 84 HE22 GLN 84 -2.423 4.409 -9.202 61 HE22 GLN 84 HE21 GLN 84 -3.827 3.387 -9.442 62 H TYR 85 H TYR 85 -1.436 8.950 -8.172 63 HA TYR 85 HA TYR 85 -3.823 10.758 -8.201 64 HB2 TYR 85 HB2 TYR 85 -0.971 11.646 -8.792 65 HB3 TYR 85 HB3 TYR 85 -2.416 12.642 -8.800 66 HD1 TYR 85 HD2 TYR 85 -3.563 13.250 -6.706 67 HD2 TYR 85 HD1 TYR 85 0.231 11.218 -6.719 68 HE1 TYR 85 HE2 TYR 85 -3.141 14.069 -4.390 69 HE2 TYR 85 HE1 TYR 85 0.677 12.021 -4.413 70 HH TYR 85 HH TYR 85 -0.045 13.402 -2.699 71 H LYS 86 H LYS 86 -4.637 11.112 -10.281 72 HA LYS 86 HA LYS 86 -3.171 9.961 -12.622 73 HB2 LYS 86 HB2 LYS 86 -4.801 8.316 -11.906 74 HB3 LYS 86 HB3 LYS 86 -6.076 9.534 -11.803 75 HG2 LYS 86 HG2 LYS 86 -6.141 9.814 -14.200 76 HG3 LYS 86 HG3 LYS 86 -4.639 8.901 -14.420 77 HD2 LYS 86 HD2 LYS 86 -5.784 6.854 -13.535 78 HD3 LYS 86 HD3 LYS 86 -7.289 7.794 -13.403 79 HE2 LYS 86 HE2 LYS 86 -7.177 8.268 -15.865 80 HE3 LYS 86 HE3 LYS 86 -5.701 7.293 -15.973 81 HZ1 LYS 86 HZ1 LYS 86 -8.378 6.259 -15.134 82 HZ2 LYS 86 HZ2 LYS 86 -7.686 6.000 -16.587 83 HZ3 LYS 86 HZ3 LYS 86 -7.013 5.356 -15.247 84 H ASN 87 H ASN 87 -3.279 11.164 -14.445 85 HA ASN 87 HA ASN 87 -4.486 13.868 -14.137 86 HB2 ASN 87 HB2 ASN 87 -2.104 13.581 -14.321 87 HB3 ASN 87 HB3 ASN 87 -2.268 12.843 -15.909 88 HD21 ASN 87 HD21 ASN 87 -0.807 15.276 -15.163 89 HD22 ASN 87 HD22 ASN 87 -1.623 16.596 -16.009 90 HA PRO 88 HA PRO 88 -7.625 12.647 -17.236 91 HB2 PRO 88 HB2 PRO 88 -8.192 15.591 -16.843 92 HB3 PRO 88 HB3 PRO 88 -9.350 14.231 -16.973 93 HG2 PRO 88 HG2 PRO 88 -8.743 15.274 -14.539 94 HG3 PRO 88 HG3 PRO 88 -8.850 13.499 -14.745 95 HD2 PRO 88 HD2 PRO 88 -6.386 15.241 -14.668 96 HD3 PRO 88 HD3 PRO 88 -6.700 13.663 -13.885 97 H HIS 89 H HIS 89 -5.253 15.279 -17.475 98 HA HIS 89 HA HIS 89 -5.913 15.898 -20.286 99 HB2 HIS 89 HB2 HIS 89 -3.735 17.028 -18.491 100 HB3 HIS 89 HB3 HIS 89 -4.305 17.705 -20.007 101 HD1 HIS 89 HD1 HIS 89 -6.939 18.679 -19.933 102 HD2 HIS 89 HD2 HIS 89 -4.980 17.765 -16.305 103 HE1 HIS 89 HE1 HIS 89 -8.273 19.862 -18.069 104 HE2 HIS 89 HE2 HIS 89 -7.073 19.311 -15.866 105 H THR 90 H THR 90 -3.532 13.954 -18.605 106 HA THR 90 HA THR 90 -1.952 13.617 -21.145 107 HB THR 90 HB THR 90 0.013 13.348 -19.784 108 HG1 THR 90 HG1 THR 90 -0.118 13.547 -17.561 109 HG21 THR 90 HG21 THR 90 0.260 15.542 -18.758 110 HG22 THR 90 HG22 THR 90 -0.679 15.727 -20.249 111 HG23 THR 90 HG23 THR 90 -1.507 15.735 -18.669 112 H GLY 91 H GLY 91 -3.729 11.852 -18.708 113 HA2 GLY 91 HA2 GLY 91 -4.191 9.603 -18.554 114 HA3 GLY 91 HA3 GLY 91 -3.228 9.290 -20.004 115 H GLU 92 H GLU 92 -1.530 11.043 -17.527 116 HA GLU 92 HA GLU 92 0.282 8.848 -16.940 117 HB2 GLU 92 HB2 GLU 92 0.090 11.744 -16.061 118 HB3 GLU 92 HB3 GLU 92 1.369 10.627 -15.557 119 HG2 GLU 92 HG2 GLU 92 2.218 10.427 -17.776 120 HG3 GLU 92 HG3 GLU 92 0.910 11.401 -18.448 121 H VAL 93 H VAL 93 0.481 8.015 -14.941 122 HA VAL 93 HA VAL 93 -1.260 8.838 -12.678 123 HB VAL 93 HB VAL 93 -0.434 6.033 -13.369 124 HG11 VAL 93 HG11 VAL 93 -2.449 7.048 -11.287 125 HG12 VAL 93 HG12 VAL 93 -2.236 5.347 -11.729 126 HG13 VAL 93 HG13 VAL 93 -0.923 6.211 -10.946 127 HG21 VAL 93 HG21 VAL 93 -2.845 5.640 -13.979 128 HG22 VAL 93 HG22 VAL 93 -3.123 7.392 -13.796 129 HG23 VAL 93 HG23 VAL 93 -2.041 6.781 -15.061 130 H ILE 94 H ILE 94 -0.350 8.433 -10.661 131 HA ILE 94 HA ILE 94 2.485 7.723 -10.316 132 HB ILE 94 HB ILE 94 1.933 9.957 -8.581 133 HG12 ILE 94 HG12 ILE 94 1.827 10.862 -11.482 134 HG13 ILE 94 HG13 ILE 94 0.453 10.839 -10.362 135 HG21 ILE 94 HG21 ILE 94 4.160 8.956 -9.242 136 HG22 ILE 94 HG22 ILE 94 4.012 9.836 -10.791 137 HG23 ILE 94 HG23 ILE 94 4.084 10.708 -9.229 138 HD11 ILE 94 HD11 ILE 94 1.761 12.299 -8.793 139 HD12 ILE 94 HD12 ILE 94 2.971 12.495 -10.077 140 HD13 ILE 94 HD13 ILE 94 1.317 13.069 -10.342 141 H GLU 95 H GLU 95 2.994 7.623 -8.009 142 HA GLU 95 HA GLU 95 0.845 7.349 -6.019 143 HB2 GLU 95 HB2 GLU 95 2.681 5.155 -6.991 144 HB3 GLU 95 HB3 GLU 95 2.119 5.166 -5.297 145 HG2 GLU 95 HG2 GLU 95 -0.190 5.094 -5.983 146 HG3 GLU 95 HG3 GLU 95 0.263 5.212 -7.690 147 H THR 96 H THR 96 1.529 8.580 -4.360 148 HA THR 96 HA THR 96 4.332 8.372 -3.397 149 HB THR 96 HB THR 96 5.006 10.459 -3.789 150 HG1 THR 96 HG1 THR 96 3.768 12.277 -3.495 151 HG21 THR 96 HG21 THR 96 2.636 10.690 -5.703 152 HG22 THR 96 HG22 THR 96 4.109 11.688 -5.725 153 HG23 THR 96 HG23 THR 96 4.211 9.979 -6.118 154 H LYS 97 H LYS 97 4.563 8.897 -1.151 155 HA LYS 97 HA LYS 97 2.000 8.966 0.385 156 HB2 LYS 97 HB2 LYS 97 4.837 8.717 1.334 157 HB3 LYS 97 HB3 LYS 97 3.402 8.406 2.304 158 HG2 LYS 97 HG2 LYS 97 2.894 6.407 1.068 159 HG3 LYS 97 HG3 LYS 97 4.098 6.773 -0.171 160 HD2 LYS 97 HD2 LYS 97 5.855 6.641 1.736 161 HD3 LYS 97 HD3 LYS 97 4.575 5.874 2.676 162 HE2 LYS 97 HE2 LYS 97 5.852 4.113 1.713 163 HE3 LYS 97 HE3 LYS 97 4.347 4.171 0.787 164 HZ1 LYS 97 HZ1 LYS 97 6.931 5.437 -0.063 165 HZ2 LYS 97 HZ2 LYS 97 6.359 4.004 -0.643 166 HZ3 LYS 97 HZ3 LYS 97 5.579 5.415 -0.953 167 H GLY 98 H GLY 98 3.476 11.287 -1.087 168 HA2 GLY 98 HA2 GLY 98 2.920 13.633 -0.384 169 HA3 GLY 98 HA3 GLY 98 3.769 13.264 1.126 170 H GLY 99 H GLY 99 4.970 15.150 0.516 171 HA2 GLY 99 HA2 GLY 99 6.996 16.021 0.178 172 HA3 GLY 99 HA3 GLY 99 7.553 14.445 -0.362 173 H ASN 100 H ASN 100 8.637 16.679 -1.268 174 HA ASN 100 HA ASN 100 7.984 17.648 -3.851 175 HB2 ASN 100 HB2 ASN 100 9.687 18.706 -2.570 176 HB3 ASN 100 HB3 ASN 100 10.448 17.193 -2.171 177 HD21 ASN 100 HD22 ASN 100 12.318 18.531 -2.626 178 HD22 ASN 100 HD21 ASN 100 13.007 18.201 -4.197 179 H HIS 101 H HIS 101 7.244 16.213 -5.355 180 HA HIS 101 HA HIS 101 9.098 14.077 -6.277 181 HB2 HIS 101 HB2 HIS 101 7.199 13.168 -4.880 182 HB3 HIS 101 HB3 HIS 101 6.073 13.758 -6.093 183 HD1 HIS 101 HD1 HIS 101 8.927 11.110 -5.663 184 HD2 HIS 101 HD2 HIS 101 5.774 12.225 -8.267 185 HE1 HIS 101 HE1 HIS 101 8.693 9.226 -7.370 186 HE2 HIS 101 HE2 HIS 101 6.803 9.896 -8.975 187 H LYS 102 H LYS 102 9.430 13.969 -8.445 188 HA LYS 102 HA LYS 102 9.300 16.273 -9.964 189 HB2 LYS 102 HB2 LYS 102 10.792 14.272 -10.174 190 HB3 LYS 102 HB3 LYS 102 9.560 13.487 -11.161 191 HG2 LYS 102 HG2 LYS 102 10.594 16.249 -11.810 192 HG3 LYS 102 HG3 LYS 102 11.533 14.803 -12.193 193 HD2 LYS 102 HD2 LYS 102 9.725 13.896 -13.585 194 HD3 LYS 102 HD3 LYS 102 8.697 15.321 -13.220 195 HE2 LYS 102 HE2 LYS 102 10.420 16.808 -13.993 196 HE3 LYS 102 HE3 LYS 102 11.504 15.447 -14.321 197 HZ1 LYS 102 HZ1 LYS 102 10.341 16.229 -16.385 198 HZ2 LYS 102 HZ2 LYS 102 9.954 14.676 -16.047 199 HZ3 LYS 102 HZ3 LYS 102 8.883 15.870 -15.709 200 H THR 103 H THR 103 7.302 13.482 -11.096 201 HA THR 103 HA THR 103 5.855 15.054 -12.943 202 HB THR 103 HB THR 103 4.870 12.510 -11.617 203 HG1 THR 103 HG1 THR 103 5.938 11.546 -13.410 204 HG21 THR 103 HG21 THR 103 3.098 13.491 -12.889 205 HG22 THR 103 HG22 THR 103 4.197 13.996 -14.186 206 HG23 THR 103 HG23 THR 103 3.794 12.268 -13.957 207 H LEU 104 H LEU 104 5.044 14.294 -9.582 208 HA LEU 104 HA LEU 104 2.424 15.395 -9.497 209 HB2 LEU 104 HB2 LEU 104 3.480 13.869 -7.815 210 HB3 LEU 104 HB3 LEU 104 4.550 15.176 -7.317 211 HG LEU 104 HG LEU 104 2.622 16.468 -6.485 212 HD11 LEU 104 HD11 LEU 104 0.831 15.623 -7.969 213 HD12 LEU 104 HD12 LEU 104 1.001 14.000 -7.277 214 HD13 LEU 104 HD13 LEU 104 0.409 15.327 -6.276 215 HD21 LEU 104 HD21 LEU 104 2.684 13.600 -5.460 216 HD22 LEU 104 HD22 LEU 104 3.814 14.903 -4.986 217 HD23 LEU 104 HD23 LEU 104 2.103 15.015 -4.575 218 H LYS 105 H LYS 105 5.630 16.950 -9.099 219 HA LYS 105 HA LYS 105 4.566 19.561 -8.427 220 HB2 LYS 105 HB2 LYS 105 6.858 18.869 -7.826 221 HB3 LYS 105 HB3 LYS 105 7.277 18.685 -9.517 222 HG2 LYS 105 HG2 LYS 105 8.215 20.745 -8.697 223 HG3 LYS 105 HG3 LYS 105 7.013 21.084 -9.922 224 HD2 LYS 105 HD2 LYS 105 6.735 22.720 -8.235 225 HD3 LYS 105 HD3 LYS 105 5.358 21.629 -8.045 226 HE2 LYS 105 HE2 LYS 105 6.635 20.446 -6.198 227 HE3 LYS 105 HE3 LYS 105 7.954 21.599 -6.424 228 HZ1 LYS 105 HZ1 LYS 105 6.247 23.391 -5.879 229 HZ2 LYS 105 HZ2 LYS 105 5.203 22.177 -5.421 230 HZ3 LYS 105 HZ3 LYS 105 6.585 22.374 -4.629 231 H GLU 106 H GLU 106 5.289 17.969 -11.546 232 HA GLU 106 HA GLU 106 5.079 20.413 -13.053 233 HB2 GLU 106 HB2 GLU 106 4.400 17.646 -14.079 234 HB3 GLU 106 HB3 GLU 106 4.909 19.079 -15.012 235 HG2 GLU 106 HG2 GLU 106 7.065 18.894 -13.512 236 HG3 GLU 106 HG3 GLU 106 6.419 17.272 -13.181 237 H TRP 107 H TRP 107 2.796 17.851 -12.253 238 HA TRP 107 HA TRP 107 0.516 19.005 -13.554 239 HB2 TRP 107 HB2 TRP 107 0.578 17.335 -11.031 240 HB3 TRP 107 HB3 TRP 107 -0.849 17.674 -12.018 241 HD1 TRP 107 HD1 TRP 107 1.826 16.843 -14.420 242 HE1 TRP 107 HE1 TRP 107 1.650 14.370 -15.141 243 HE3 TRP 107 HE3 TRP 107 -1.572 15.174 -10.955 244 HZ2 TRP 107 HZ2 TRP 107 0.698 11.937 -13.971 245 HZ3 TRP 107 HZ3 TRP 107 -2.229 12.783 -10.941 246 HH2 TRP 107 HH2 TRP 107 -1.036 11.140 -12.394 247 H LYS 108 H LYS 108 1.790 19.681 -10.281 248 HA LYS 108 HA LYS 108 -0.312 21.527 -9.528 249 HB2 LYS 108 HB2 LYS 108 2.604 21.334 -8.654 250 HB3 LYS 108 HB3 LYS 108 1.446 22.492 -7.988 251 HG2 LYS 108 HG2 LYS 108 -0.048 20.585 -7.356 252 HG3 LYS 108 HG3 LYS 108 1.216 19.461 -7.866 253 HD2 LYS 108 HD2 LYS 108 2.803 20.646 -6.273 254 HD3 LYS 108 HD3 LYS 108 1.419 21.602 -5.701 255 HE2 LYS 108 HE2 LYS 108 0.240 19.371 -5.190 256 HE3 LYS 108 HE3 LYS 108 1.739 18.564 -5.620 257 HZ1 LYS 108 HZ1 LYS 108 1.872 18.822 -3.341 258 HZ2 LYS 108 HZ2 LYS 108 2.798 20.105 -3.866 259 HZ3 LYS 108 HZ3 LYS 108 1.276 20.360 -3.317 260 H ALA 109 H ALA 109 2.714 21.941 -11.416 261 HA ALA 109 HA ALA 109 2.613 24.793 -11.559 262 HB1 ALA 109 HB1 ALA 109 4.257 24.531 -13.324 263 HB2 ALA 109 HB2 ALA 109 4.615 23.310 -12.069 264 HB3 ALA 109 HB3 ALA 109 3.806 22.843 -13.585 265 H LYS 110 H LYS 110 1.632 22.203 -13.775 266 HA LYS 110 HA LYS 110 0.775 23.786 -15.807 267 HB2 LYS 110 HB2 LYS 110 0.390 20.894 -15.091 268 HB3 LYS 110 HB3 LYS 110 -0.428 21.549 -16.524 269 HG2 LYS 110 HG2 LYS 110 1.768 22.270 -17.438 270 HG3 LYS 110 HG3 LYS 110 2.574 21.493 -16.055 271 HD2 LYS 110 HD2 LYS 110 1.393 19.351 -16.644 272 HD3 LYS 110 HD3 LYS 110 0.742 20.129 -18.089 273 HE2 LYS 110 HE2 LYS 110 3.674 19.648 -17.450 274 HE3 LYS 110 HE3 LYS 110 2.658 18.635 -18.497 275 HZ1 LYS 110 HZ1 LYS 110 3.368 21.486 -19.051 276 HZ2 LYS 110 HZ2 LYS 110 3.974 20.188 -19.826 277 HZ3 LYS 110 HZ3 LYS 110 2.396 20.562 -19.996 278 H TRP 111 H TRP 111 -1.163 22.372 -13.205 279 HA TRP 111 HA TRP 111 -3.569 23.928 -14.112 280 HB2 TRP 111 HB2 TRP 111 -3.605 21.092 -13.028 281 HB3 TRP 111 HB3 TRP 111 -4.990 22.053 -13.525 282 HD1 TRP 111 HD1 TRP 111 -5.213 22.563 -16.201 283 HE1 TRP 111 HE1 TRP 111 -4.377 21.286 -18.266 284 HE3 TRP 111 HE3 TRP 111 -1.814 19.516 -13.923 285 HZ2 TRP 111 HZ2 TRP 111 -2.381 19.279 -18.861 286 HZ3 TRP 111 HZ3 TRP 111 -0.383 17.998 -15.266 287 HH2 TRP 111 HH2 TRP 111 -0.670 17.837 -17.722 288 H GLY 112 H GLY 112 -2.376 22.091 -11.208 289 HA2 GLY 112 HA2 GLY 112 -1.980 24.003 -9.417 290 HA3 GLY 112 HA3 GLY 112 -3.731 24.087 -9.434 291 HA PRO 113 HA PRO 113 -2.034 20.653 -6.564 292 HB2 PRO 113 HB2 PRO 113 -2.302 21.871 -4.079 293 HB3 PRO 113 HB3 PRO 113 -0.811 21.832 -5.055 294 HG2 PRO 113 HG2 PRO 113 -2.866 24.036 -4.885 295 HG3 PRO 113 HG3 PRO 113 -1.074 24.167 -4.853 296 HD2 PRO 113 HD2 PRO 113 -2.507 24.657 -7.103 297 HD3 PRO 113 HD3 PRO 113 -0.915 23.836 -7.172 298 H GLU 114 H GLU 114 -4.791 22.891 -6.279 299 HA GLU 114 HA GLU 114 -6.561 21.282 -4.728 300 HB2 GLU 114 HB2 GLU 114 -7.366 23.080 -7.024 301 HB3 GLU 114 HB3 GLU 114 -8.267 22.644 -5.543 302 HG2 GLU 114 HG2 GLU 114 -6.468 23.905 -4.247 303 HG3 GLU 114 HG3 GLU 114 -5.831 24.423 -5.823 304 H ALA 115 H ALA 115 -6.071 21.603 -8.181 305 HA ALA 115 HA ALA 115 -7.965 19.749 -9.171 306 HB1 ALA 115 HB1 ALA 115 -5.232 20.313 -10.414 307 HB2 ALA 115 HB2 ALA 115 -6.753 19.934 -11.234 308 HB3 ALA 115 HB3 ALA 115 -6.573 21.513 -10.423 309 H VAL 116 H VAL 116 -4.496 19.438 -8.604 310 HA VAL 116 HA VAL 116 -4.109 16.827 -9.243 311 HB VAL 116 HB VAL 116 -2.693 18.743 -7.396 312 HG11 VAL 116 HG11 VAL 116 -2.008 16.555 -6.531 313 HG12 VAL 116 HG12 VAL 116 -1.587 16.031 -8.177 314 HG13 VAL 116 HG13 VAL 116 -0.701 17.372 -7.387 315 HG21 VAL 116 HG21 VAL 116 -1.148 18.922 -9.265 316 HG22 VAL 116 HG22 VAL 116 -1.955 17.563 -10.097 317 HG23 VAL 116 HG23 VAL 116 -2.795 19.108 -9.915 318 H GLU 117 H GLU 117 -4.833 18.108 -5.954 319 HA GLU 117 HA GLU 117 -4.926 15.551 -4.607 320 HB2 GLU 117 HB2 GLU 117 -6.096 18.335 -4.124 321 HB3 GLU 117 HB3 GLU 117 -6.485 17.008 -3.042 322 HG2 GLU 117 HG2 GLU 117 -3.588 17.665 -3.619 323 HG3 GLU 117 HG3 GLU 117 -4.526 18.634 -2.486 324 H SER 118 H SER 118 -7.357 17.433 -6.425 325 HA SER 118 HA SER 118 -9.659 15.944 -5.487 326 HB2 SER 118 HB2 SER 118 -9.342 17.589 -8.029 327 HB3 SER 118 HB3 SER 118 -10.860 16.947 -7.388 328 HG SER 118 HG SER 118 -9.138 18.875 -6.216 329 H TRP 119 H TRP 119 -7.387 15.416 -8.125 330 HA TRP 119 HA TRP 119 -8.855 13.161 -9.261 331 HB2 TRP 119 HB2 TRP 119 -5.927 13.825 -9.624 332 HB3 TRP 119 HB3 TRP 119 -6.984 12.887 -10.678 333 HD1 TRP 119 HD1 TRP 119 -9.335 15.184 -10.785 334 HE1 TRP 119 HE1 TRP 119 -8.946 17.249 -12.262 335 HE3 TRP 119 HE3 TRP 119 -4.243 14.883 -11.288 336 HZ2 TRP 119 HZ2 TRP 119 -6.718 18.603 -13.489 337 HZ3 TRP 119 HZ3 TRP 119 -3.016 16.566 -12.649 338 HH2 TRP 119 HH2 TRP 119 -4.237 18.432 -13.735 339 H ALA 120 H ALA 120 -7.078 13.308 -6.303 340 HA ALA 120 HA ALA 120 -5.521 10.996 -6.649 341 HB1 ALA 120 HB1 ALA 120 -6.359 12.111 -3.961 342 HB2 ALA 120 HB2 ALA 120 -4.858 11.256 -4.404 343 HB3 ALA 120 HB3 ALA 120 -5.152 12.909 -4.989 344 H THR 121 H THR 121 -5.492 9.343 -5.206 345 HA THR 121 HA THR 121 -7.975 7.777 -4.446 346 HB THR 121 HB THR 121 -5.583 6.876 -6.066 347 HG1 THR 121 HG1 THR 121 -7.195 6.466 -7.664 348 HG21 THR 121 HG21 THR 121 -7.999 5.464 -4.888 349 HG22 THR 121 HG22 THR 121 -7.034 4.728 -6.202 350 HG23 THR 121 HG23 THR 121 -6.286 5.042 -4.634 351 H LEU 122 H LEU 122 -7.720 6.664 -2.616 352 HA LEU 122 HA LEU 122 -5.229 6.990 -1.026 353 HB2 LEU 122 HB2 LEU 122 -7.244 7.618 0.092 354 HB3 LEU 122 HB3 LEU 122 -8.090 6.168 -0.443 355 HG LEU 122 HG LEU 122 -6.687 4.755 1.006 356 HD11 LEU 122 HD11 LEU 122 -5.411 7.339 1.990 357 HD12 LEU 122 HD12 LEU 122 -5.217 5.720 2.717 358 HD13 LEU 122 HD13 LEU 122 -4.588 6.030 1.111 359 HD21 LEU 122 HD21 LEU 122 -8.783 5.701 1.883 360 HD22 LEU 122 HD22 LEU 122 -7.576 5.498 3.165 361 HD23 LEU 122 HD23 LEU 122 -7.894 7.115 2.497 362 H LEU 123 H LEU 123 -3.806 5.474 -0.942 363 HA LEU 123 HA LEU 123 -4.487 2.595 -1.230 364 HB2 LEU 123 HB2 LEU 123 -2.062 4.106 -2.300 365 HB3 LEU 123 HB3 LEU 123 -2.313 2.366 -2.419 366 HG LEU 123 HG LEU 123 -4.009 4.549 -3.728 367 HD11 LEU 123 HD11 LEU 123 -1.793 4.394 -4.668 368 HD12 LEU 123 HD12 LEU 123 -1.901 2.630 -4.819 369 HD13 LEU 123 HD13 LEU 123 -2.941 3.665 -5.814 370 HD21 LEU 123 HD21 LEU 123 -5.327 2.420 -3.342 371 HD22 LEU 123 HD22 LEU 123 -5.006 2.709 -5.057 372 HD23 LEU 123 HD23 LEU 123 -4.047 1.509 -4.160 373 H GLY 124 H GLY 124 -3.518 1.287 0.112 374 HA2 GLY 124 HA2 GLY 124 -2.383 1.973 2.612 375 HA3 GLY 124 HA3 GLY 124 -2.198 0.400 1.845 376 H HIS 125 H HIS 125 -0.250 1.607 3.494 377 HA HIS 125 HA HIS 125 1.857 3.019 2.224 378 HB2 HIS 125 HB2 HIS 125 1.607 2.879 4.591 379 HB3 HIS 125 HB3 HIS 125 1.899 1.136 4.584 380 HD1 HIS 125 HD1 HIS 125 4.519 0.404 3.954 381 HD2 HIS 125 HD2 HIS 125 3.683 4.454 4.762 382 HE1 HIS 125 HE1 HIS 125 6.783 1.523 4.496 383 HE2 HIS 125 HE2 HIS 125 6.278 3.991 5.025 384 H5' DC 1 H5' DC 1 -4.871 29.308 7.759 385 H5'' DC 1 H5'' DC 1 -3.523 30.122 6.967 386 H4' DC 1 H4' DC 1 -3.090 30.042 9.318 387 H3' DC 1 H3' DC 1 -1.343 28.929 7.433 388 H2' DC 1 H2' DC 1 -1.452 26.761 7.997 389 H2'' DC 1 H2'' DC 1 -0.394 27.156 9.335 390 H1' DC 1 H1' DC 1 -2.069 27.341 10.897 391 H41 DC 1 H41 DC 1 -5.068 21.725 9.063 392 H42 DC 1 H42 DC 1 -4.855 21.713 10.820 393 H5 DC 1 H5 DC 1 -4.300 23.629 7.679 394 H6 DC 1 H6 DC 1 -3.297 25.828 7.803 395 HO5' DC 1 H5T DC 1 -4.224 28.229 5.790 396 H5' DG 2 H5' DG 2 0.211 29.245 11.928 397 H5'' DG 2 H5'' DG 2 1.798 30.007 11.905 398 H4' DG 2 H4' DG 2 1.863 28.464 13.667 399 H3' DG 2 H3' DG 2 3.670 28.130 11.535 400 H2' DG 2 H2' DG 2 2.613 26.241 10.684 401 H2'' DG 2 H2'' DG 2 3.703 25.416 11.818 402 H1' DG 2 H1' DG 2 2.046 25.323 13.532 403 H8 DG 2 H8 DG 2 0.713 25.418 9.943 404 H1 DG 2 H1 DG 2 -1.186 20.338 13.425 405 H21 DG 2 H21 DG 2 0.731 21.815 15.861 406 H22 DG 2 H22 DG 2 -0.276 20.442 15.386 407 H5' DC 3 H5' DC 3 4.152 25.638 15.495 408 H5'' DC 3 H5'' DC 3 5.847 25.617 15.978 409 H4' DC 3 H4' DC 3 4.801 23.574 16.676 410 H3' DC 3 H3' DC 3 7.008 23.526 14.775 411 H2' DC 3 H2' DC 3 6.182 21.991 13.346 412 H2'' DC 3 H2'' DC 3 6.157 20.796 14.649 413 H1' DC 3 H1' DC 3 3.960 21.077 15.136 414 H41 DC 3 H41 DC 3 1.705 21.649 8.940 415 H42 DC 3 H42 DC 3 1.083 20.164 9.677 416 H5 DC 3 H5 DC 3 3.350 23.052 10.112 417 H6 DC 3 H6 DC 3 4.486 23.356 12.300 418 H5' DA 4 H5' DA 4 6.247 19.789 17.160 419 H5'' DA 4 H5'' DA 4 7.690 19.110 17.911 420 H4' DA 4 H4' DA 4 6.424 17.303 17.112 421 H3' DA 4 H3' DA 4 9.020 17.770 15.957 422 H2' DA 4 H2' DA 4 8.230 18.042 13.826 423 H2'' DA 4 H2'' DA 4 8.221 16.281 13.773 424 H1' DA 4 H1' DA 4 5.928 16.126 14.446 425 H8 DA 4 H8 DA 4 6.883 19.425 12.776 426 H61 DA 4 H61 DA 4 2.582 17.840 8.527 427 H62 DA 4 H62 DA 4 3.661 19.128 9.031 428 H2 DA 4 H2 DA 4 2.913 14.566 11.360 429 H5' DT 5 H5' DT 5 7.178 13.590 15.346 430 H5'' DT 5 H5'' DT 5 8.347 12.335 15.758 431 H4' DT 5 H4' DT 5 7.084 11.560 13.911 432 H3' DT 5 H3' DT 5 9.912 11.889 13.652 433 H2' DT 5 H2' DT 5 9.787 13.477 12.003 434 H2'' DT 5 H2'' DT 5 9.584 12.093 10.919 435 H1' DT 5 H1' DT 5 7.212 12.166 11.031 436 H3 DT 5 H3 DT 5 5.622 15.322 8.203 437 H71 DT 5 H71 DT 5 8.284 18.592 10.615 438 H72 DT 5 H72 DT 5 9.614 17.556 11.197 439 H73 DT 5 H73 DT 5 9.471 17.960 9.473 440 H6 DT 5 H6 DT 5 9.018 15.396 11.642 441 H5' DA 6 H5' DA 6 7.227 9.171 10.995 442 H5'' DA 6 H5'' DA 6 8.034 7.615 10.791 443 H4' DA 6 H4' DA 6 6.572 7.936 8.976 444 H3' DA 6 H3' DA 6 9.252 7.376 8.494 445 H2' DA 6 H2' DA 6 9.890 9.509 7.952 446 H2'' DA 6 H2'' DA 6 9.435 8.998 6.331 447 H1' DA 6 H1' DA 6 7.323 10.007 6.424 448 H8 DA 6 H8 DA 6 9.938 11.471 8.823 449 H61 DA 6 H61 DA 6 8.452 16.854 5.969 450 H62 DA 6 H62 DA 6 9.608 16.145 7.100 451 H2 DA 6 H2 DA 6 5.859 13.772 4.419 452 H5' DT 7 H5' DT 7 6.522 8.128 5.156 453 H5'' DT 7 H5'' DT 7 6.499 6.925 3.870 454 H4' DT 7 H4' DT 7 6.130 9.122 2.949 455 H3' DT 7 H3' DT 7 8.377 7.547 2.066 456 H2' DT 7 H2' DT 7 9.917 9.165 2.732 457 H2'' DT 7 H2'' DT 7 9.492 9.919 1.174 458 H1' DT 7 H1' DT 7 7.686 11.192 2.164 459 H3 DT 7 H3 DT 7 9.966 14.903 3.298 460 H71 DT 7 H71 DT 7 12.068 10.725 6.108 461 H72 DT 7 H72 DT 7 13.147 12.003 5.498 462 H73 DT 7 H73 DT 7 12.045 12.354 6.830 463 H6 DT 7 H6 DT 7 10.321 10.283 4.616 464 H5' DA 8 H5' DA 8 7.315 10.699 -1.410 465 H5'' DA 8 H5'' DA 8 7.480 9.773 -2.901 466 H4' DA 8 H4' DA 8 8.658 11.766 -3.270 467 H3' DA 8 H3' DA 8 10.405 9.398 -2.913 468 H2' DA 8 H2' DA 8 11.876 10.473 -1.597 469 H2'' DA 8 H2'' DA 8 12.306 11.467 -3.012 470 H1' DA 8 H1' DA 8 10.853 13.191 -2.456 471 H8 DA 8 H8 DA 8 11.495 11.014 0.757 472 H61 DA 8 H61 DA 8 13.521 16.566 2.938 473 H62 DA 8 H62 DA 8 13.225 14.914 3.484 474 H2 DA 8 H2 DA 8 12.298 17.117 -1.076 475 H5' DT 9 H5' DT 9 10.791 12.903 -5.726 476 H5'' DT 9 H5'' DT 9 11.268 12.311 -7.327 477 H4' DT 9 H4' DT 9 11.834 14.616 -7.199 478 H3' DT 9 H3' DT 9 13.792 12.676 -7.713 479 H2' DT 9 H2' DT 9 14.958 12.866 -5.766 480 H2'' DT 9 H2'' DT 9 15.729 14.251 -6.532 481 H1' DT 9 H1' DT 9 14.320 15.826 -5.549 482 H3 DT 9 H3 DT 9 15.436 16.352 -1.209 483 H71 DT 9 H71 DT 9 15.923 11.543 -1.066 484 H72 DT 9 H72 DT 9 14.268 11.728 -0.481 485 H73 DT 9 H73 DT 9 14.563 11.030 -2.088 486 H6 DT 9 H6 DT 9 14.165 12.508 -3.842 487 H5' DG 10 H5' DG 10 14.711 17.246 -8.131 488 H5'' DG 10 H5'' DG 10 15.519 17.544 -9.669 489 H4' DG 10 H4' DG 10 16.298 19.169 -8.148 490 H3' DG 10 H3' DG 10 18.113 17.440 -9.420 491 H2' DG 10 H2' DG 10 18.610 16.213 -7.506 492 H2'' DG 10 H2'' DG 10 19.834 17.473 -7.283 493 H1' DG 10 H1' DG 10 18.428 18.764 -5.858 494 H8 DG 10 H8 DG 10 17.713 15.002 -5.900 495 H1 DG 10 H1 DG 10 19.164 17.445 -0.114 496 H21 DG 10 H21 DG 10 19.558 20.346 -1.892 497 H22 DG 10 H22 DG 10 19.716 19.508 -0.345 498 H5' DC 11 H5' DC 11 19.621 21.328 -7.127 499 H5'' DC 11 H5'' DC 11 20.688 22.166 -8.250 500 H4' DC 11 H4' DC 11 21.310 22.774 -6.047 501 H3' DC 11 H3' DC 11 23.169 21.691 -7.823 502 H2' DC 11 H2' DC 11 23.430 19.631 -6.823 503 H2'' DC 11 H2'' DC 11 24.577 20.467 -5.781 504 H1' DC 11 H1' DC 11 23.060 20.821 -4.075 505 H41 DC 11 H41 DC 11 21.064 14.528 -3.750 506 H42 DC 11 H42 DC 11 21.449 15.096 -2.123 507 H5 DC 11 H5 DC 11 21.351 15.935 -5.698 508 H6 DC 11 H6 DC 11 21.902 18.254 -6.409 509 H5' DG 12 H5' DG 12 25.270 23.002 -3.910 510 H5'' DG 12 H5'' DG 12 26.880 23.681 -4.170 511 H4' DG 12 H4' DG 12 27.021 22.034 -2.435 512 H3' DG 12 H3' DG 12 28.243 21.167 -5.043 513 HO3' DG 12 H3T DG 12 30.157 21.434 -3.754 514 H2' DG 12 H2' DG 12 28.282 19.003 -4.452 515 H2'' DG 12 H2'' DG 12 28.911 19.365 -2.827 516 H1' DG 12 H1' DG 12 26.831 19.435 -1.871 517 H8 DG 12 H8 DG 12 25.997 18.467 -5.493 518 H1 DG 12 H1 DG 12 24.622 14.068 -0.983 519 H21 DG 12 H21 DG 12 26.096 16.386 1.103 520 H22 DG 12 H22 DG 12 25.445 14.756 0.943 521 H5' DC 13 H5' DC 13 24.986 7.296 3.921 522 H5'' DC 13 H5'' DC 13 24.410 7.376 5.579 523 H4' DC 13 H4' DC 13 25.855 9.243 5.148 524 H3' DC 13 H3' DC 13 23.268 9.519 6.126 525 H2' DC 13 H2' DC 13 22.327 10.439 4.209 526 H2'' DC 13 H2'' DC 13 22.910 11.961 4.917 527 H1' DC 13 H1' DC 13 24.931 11.908 3.727 528 H41 DC 13 H41 DC 13 21.986 11.527 -2.180 529 H42 DC 13 H42 DC 13 23.232 12.777 -2.248 530 H5 DC 13 H5 DC 13 21.538 10.243 -0.137 531 H6 DC 13 H6 DC 13 22.300 9.891 2.147 532 HO5' DC 13 H5T DC 13 22.713 6.800 4.064 533 H5' DG 14 H5' DG 14 26.038 13.655 6.338 534 H5'' DG 14 H5'' DG 14 25.829 14.048 8.039 535 H4' DG 14 H4' DG 14 26.145 16.096 7.003 536 H3' DG 14 H3' DG 14 23.742 15.689 8.336 537 H2' DG 14 H2' DG 14 22.405 15.392 6.443 538 H2'' DG 14 H2'' DG 14 22.264 17.131 6.532 539 H1' DG 14 H1' DG 14 23.896 17.521 4.925 540 H8 DG 14 H8 DG 14 22.354 14.033 4.795 541 H1 DG 14 H1 DG 14 22.400 17.193 -0.817 542 H21 DG 14 H21 DG 14 23.997 19.611 1.025 543 H22 DG 14 H22 DG 14 23.319 19.131 -0.533 544 H5' DC 15 H5' DC 15 24.262 19.800 6.409 545 H5'' DC 15 H5'' DC 15 23.620 21.190 7.288 546 H4' DC 15 H4' DC 15 23.069 21.323 4.930 547 H3' DC 15 H3' DC 15 20.810 20.978 6.853 548 H2' DC 15 H2' DC 15 19.432 20.097 5.315 549 H2'' DC 15 H2'' DC 15 19.749 21.419 4.171 550 H1' DC 15 H1' DC 15 21.419 20.346 3.085 551 H41 DC 15 H41 DC 15 18.596 14.389 2.764 552 H42 DC 15 H42 DC 15 18.566 15.161 1.172 553 H5 DC 15 H5 DC 15 19.370 15.620 4.754 554 H6 DC 15 H6 DC 15 20.432 17.744 5.468 555 H5' DA 16 H5' DA 16 20.808 23.551 3.276 556 H5'' DA 16 H5'' DA 16 20.270 25.209 3.535 557 H4' DA 16 H4' DA 16 19.620 24.598 1.358 558 H3' DA 16 H3' DA 16 17.652 25.326 3.262 559 H2' DA 16 H2' DA 16 16.778 23.202 3.439 560 H2'' DA 16 H2'' DA 16 15.755 23.736 2.104 561 H1' DA 16 H1' DA 16 17.226 22.806 0.441 562 H8 DA 16 H8 DA 16 17.444 21.159 3.878 563 H61 DA 16 H61 DA 16 15.749 15.957 0.822 564 H62 DA 16 H62 DA 16 16.314 16.548 2.374 565 H2 DA 16 H2 DA 16 15.511 19.261 -1.957 566 H5' DT 17 H5' DT 17 16.092 24.816 -1.030 567 H5'' DT 17 H5'' DT 17 15.054 26.152 -1.532 568 H4' DT 17 H4' DT 17 14.151 24.128 -2.407 569 H3' DT 17 H3' DT 17 12.588 25.713 -0.577 570 H2' DT 17 H2' DT 17 12.311 24.026 0.946 571 H2'' DT 17 H2'' DT 17 11.049 23.434 -0.146 572 H1' DT 17 H1' DT 17 12.558 22.019 -1.340 573 H3 DT 17 H3 DT 17 12.967 18.191 1.034 574 H71 DT 17 H71 DT 17 13.055 20.986 4.974 575 H72 DT 17 H72 DT 17 14.782 20.791 4.646 576 H73 DT 17 H73 DT 17 13.993 22.364 4.365 577 H6 DT 17 H6 DT 17 13.566 22.825 2.174 578 H5' DA 18 H5' DA 18 10.572 22.483 -2.900 579 H5'' DA 18 H5'' DA 18 9.233 23.106 -3.859 580 H4' DA 18 H4' DA 18 8.535 20.992 -3.222 581 H3' DA 18 H3' DA 18 7.121 23.142 -1.828 582 H2' DA 18 H2' DA 18 7.593 22.316 0.223 583 H2'' DA 18 H2'' DA 18 6.289 21.166 -0.125 584 H1' DA 18 H1' DA 18 7.782 19.522 -0.902 585 H8 DA 18 H8 DA 18 9.178 21.901 1.772 586 H61 DA 18 H61 DA 18 11.025 16.461 4.398 587 H62 DA 18 H62 DA 18 10.963 18.192 4.738 588 H2 DA 18 H2 DA 18 9.511 15.613 0.513 589 H5' DT 19 H5' DT 19 5.847 18.867 -2.363 590 H5'' DT 19 H5'' DT 19 4.310 18.845 -3.228 591 H4' DT 19 H4' DT 19 4.027 17.045 -1.760 592 H3' DT 19 H3' DT 19 2.482 19.367 -1.072 593 H2' DT 19 H2' DT 19 3.803 19.916 0.728 594 H2'' DT 19 H2'' DT 19 2.636 18.843 1.554 595 H1' DT 19 H1' DT 19 4.008 16.883 1.132 596 H3 DT 19 H3 DT 19 7.021 16.424 4.409 597 H71 DT 19 H71 DT 19 7.875 21.140 4.265 598 H72 DT 19 H72 DT 19 6.590 21.726 3.182 599 H73 DT 19 H73 DT 19 6.223 21.247 4.861 600 H6 DT 19 H6 DT 19 5.495 20.177 1.815 601 H5' DA 20 H5' DA 20 -1.305 15.611 -0.185 602 H5'' DA 20 H5'' DA 20 0.006 16.335 0.728 603 H4' DA 20 H4' DA 20 0.025 13.391 -0.017 604 H3' DA 20 H3' DA 20 -1.878 14.655 1.569 605 H2' DA 20 H2' DA 20 -0.445 15.615 3.063 606 H2'' DA 20 H2'' DA 20 -0.629 14.081 3.924 607 H1' DA 20 H1' DA 20 1.376 13.184 3.116 608 H8 DA 20 H8 DA 20 1.710 16.947 2.211 609 H61 DA 20 H61 DA 20 5.259 17.414 7.274 610 H62 DA 20 H62 DA 20 4.506 18.317 5.958 611 H2 DA 20 H2 DA 20 3.875 13.302 7.055 612 H5' DT 21 H5' DT 21 -0.413 11.226 3.957 613 H5'' DT 21 H5'' DT 21 -1.764 10.094 4.036 614 H4' DT 21 H4' DT 21 -0.712 9.843 6.092 615 H3' DT 21 H3' DT 21 -3.305 10.794 6.111 616 H2' DT 21 H2' DT 21 -2.851 12.998 6.635 617 H2'' DT 21 H2'' DT 21 -2.903 12.370 8.300 618 H1' DT 21 H1' DT 21 -0.629 12.086 8.455 619 H3 DT 21 H3 DT 21 1.901 15.818 8.812 620 H71 DT 21 H71 DT 21 -0.164 17.407 4.741 621 H72 DT 21 H72 DT 21 -1.772 16.643 4.851 622 H73 DT 21 H73 DT 21 -1.322 17.957 5.954 623 H6 DT 21 H6 DT 21 -1.676 14.548 5.809 624 H5' DG 22 H5' DG 22 -1.294 9.908 10.170 625 H5'' DG 22 H5'' DG 22 -2.382 9.079 11.304 626 H4' DG 22 H4' DG 22 -1.148 10.674 12.541 627 H3' DG 22 H3' DG 22 -4.003 11.007 12.358 628 H2' DG 22 H2' DG 22 -3.810 13.068 11.304 629 H2'' DG 22 H2'' DG 22 -3.639 13.662 12.977 630 H1' DG 22 H1' DG 22 -1.234 13.451 12.886 631 H8 DG 22 H8 DG 22 -2.970 14.314 9.569 632 H1 DG 22 H1 DG 22 1.166 18.716 11.845 633 H21 DG 22 H21 DG 22 1.477 16.438 14.412 634 H22 DG 22 H22 DG 22 1.921 18.027 13.774 635 H5' DC 23 H5' DC 23 -1.226 12.590 15.858 636 H5'' DC 23 H5'' DC 23 -2.035 12.081 17.340 637 H4' DC 23 H4' DC 23 -0.647 13.909 17.888 638 H3' DC 23 H3' DC 23 -3.390 13.993 18.396 639 H2' DC 23 H2' DC 23 -3.982 15.561 16.824 640 H2'' DC 23 H2'' DC 23 -3.477 16.738 18.019 641 H1' DC 23 H1' DC 23 -1.360 17.037 17.121 642 H41 DC 23 H41 DC 23 -3.761 18.066 11.032 643 H42 DC 23 H42 DC 23 -2.711 19.413 11.485 644 H5 DC 23 H5 DC 23 -4.169 16.202 12.555 645 H6 DC 23 H6 DC 23 -3.540 15.280 14.779 646 H5' DG 24 H5' DG 24 -1.408 17.727 20.270 647 H5'' DG 24 H5'' DG 24 -2.144 18.185 21.808 648 H4' DG 24 H4' DG 24 -2.040 20.125 20.439 649 H3' DG 24 H3' DG 24 -4.836 19.014 20.658 650 HO3' DG 24 H3T DG 24 -5.049 20.907 21.978 651 H2' DG 24 H2' DG 24 -5.577 20.263 18.951 652 H2'' DG 24 H2'' DG 24 -4.723 21.722 19.514 653 H1' DG 24 H1' DG 24 -2.866 21.307 18.246 654 H8 DG 24 H8 DG 24 -5.156 18.420 17.173 655 H1 DG 24 H1 DG 24 -3.907 22.928 12.717 656 H21 DG 24 H21 DG 24 -2.089 24.317 15.300 657 H22 DG 24 H22 DG 24 -2.677 24.499 13.647 Start of MODEL 11 1 H ALA 79 H1 ALA 79 -1.731 6.294 9.092 2 HA ALA 79 HA ALA 79 1.166 5.741 9.415 3 HB1 ALA 79 HB1 ALA 79 -0.218 3.698 9.338 4 HB2 ALA 79 HB2 ALA 79 -1.085 4.322 7.921 5 HB3 ALA 79 HB3 ALA 79 0.647 3.889 7.802 6 H ARG 80 H ARG 80 2.419 5.917 7.531 7 HA ARG 80 HA ARG 80 1.939 8.213 5.846 8 HB2 ARG 80 HB2 ARG 80 4.079 6.058 5.834 9 HB3 ARG 80 HB3 ARG 80 4.116 7.463 4.765 10 HG2 ARG 80 HG2 ARG 80 3.824 7.802 7.761 11 HG3 ARG 80 HG3 ARG 80 5.418 7.585 7.023 12 HD2 ARG 80 HD2 ARG 80 5.324 9.634 5.889 13 HD3 ARG 80 HD3 ARG 80 3.563 9.704 5.958 14 HE ARG 80 HE ARG 80 5.478 10.372 8.142 15 HH11 ARG 80 HH12 ARG 80 2.096 10.405 7.089 16 HH12 ARG 80 HH11 ARG 80 1.674 11.466 8.394 17 HH21 ARG 80 HH22 ARG 80 4.717 11.918 9.616 18 HH22 ARG 80 HH21 ARG 80 2.990 12.173 9.756 19 H LYS 81 H LYS 81 -0.253 7.158 5.263 20 HA LYS 81 HA LYS 81 -0.693 5.201 3.312 21 HB2 LYS 81 HB2 LYS 81 -2.158 7.755 4.102 22 HB3 LYS 81 HB3 LYS 81 -2.809 6.626 2.925 23 HG2 LYS 81 HG2 LYS 81 -3.287 4.996 4.466 24 HG3 LYS 81 HG3 LYS 81 -2.010 5.492 5.604 25 HD2 LYS 81 HD2 LYS 81 -3.259 7.415 6.322 26 HD3 LYS 81 HD3 LYS 81 -4.510 7.159 5.090 27 HE2 LYS 81 HE2 LYS 81 -5.265 5.121 6.130 28 HE3 LYS 81 HE3 LYS 81 -3.854 5.049 7.189 29 HZ1 LYS 81 HZ1 LYS 81 -4.637 6.975 8.381 30 HZ2 LYS 81 HZ2 LYS 81 -5.897 7.204 7.359 31 HZ3 LYS 81 HZ3 LYS 81 -5.867 5.891 8.337 32 H VAL 82 H VAL 82 -0.513 5.103 1.336 33 HA VAL 82 HA VAL 82 0.722 7.102 -0.403 34 HB VAL 82 HB VAL 82 -0.585 4.419 -1.012 35 HG11 VAL 82 HG11 VAL 82 0.737 4.540 -3.161 36 HG12 VAL 82 HG12 VAL 82 -0.661 5.603 -3.064 37 HG13 VAL 82 HG13 VAL 82 0.983 6.271 -2.845 38 HG21 VAL 82 HG21 VAL 82 1.422 4.290 0.421 39 HG22 VAL 82 HG22 VAL 82 1.658 3.540 -1.167 40 HG23 VAL 82 HG23 VAL 82 2.354 5.140 -0.850 41 H LYS 83 H LYS 83 -0.210 8.539 -1.717 42 HA LYS 83 HA LYS 83 -3.094 8.282 -2.380 43 HB2 LYS 83 HB2 LYS 83 -1.386 10.716 -1.950 44 HB3 LYS 83 HB3 LYS 83 -2.533 10.737 -3.307 45 HG2 LYS 83 HG2 LYS 83 -4.401 10.208 -1.874 46 HG3 LYS 83 HG3 LYS 83 -3.339 10.121 -0.447 47 HD2 LYS 83 HD2 LYS 83 -2.827 12.477 -0.574 48 HD3 LYS 83 HD3 LYS 83 -3.476 12.597 -2.208 49 HE2 LYS 83 HE2 LYS 83 -5.057 13.652 -0.799 50 HE3 LYS 83 HE3 LYS 83 -5.765 12.147 -1.391 51 HZ1 LYS 83 HZ1 LYS 83 -6.203 12.360 0.975 52 HZ2 LYS 83 HZ2 LYS 83 -5.083 11.159 0.835 53 HZ3 LYS 83 HZ3 LYS 83 -4.636 12.634 1.343 54 H GLN 84 H GLN 84 -3.499 7.725 -4.402 55 HA GLN 84 HA GLN 84 -1.316 7.675 -6.394 56 HB2 GLN 84 HB2 GLN 84 -2.292 5.695 -6.875 57 HB3 GLN 84 HB3 GLN 84 -3.791 6.087 -6.018 58 HG2 GLN 84 HG2 GLN 84 -4.564 7.349 -7.952 59 HG3 GLN 84 HG3 GLN 84 -3.055 6.979 -8.834 60 HE21 GLN 84 HE21 GLN 84 -2.607 4.496 -9.116 61 HE22 GLN 84 HE22 GLN 84 -4.032 3.505 -9.355 62 H TYR 85 H TYR 85 -1.546 8.984 -8.146 63 HA TYR 85 HA TYR 85 -3.845 10.899 -8.246 64 HB2 TYR 85 HB2 TYR 85 -0.929 11.598 -8.799 65 HB3 TYR 85 HB3 TYR 85 -2.306 12.680 -8.923 66 HD1 TYR 85 HD2 TYR 85 -3.475 13.498 -6.929 67 HD2 TYR 85 HD1 TYR 85 0.115 11.143 -6.636 68 HE1 TYR 85 HE2 TYR 85 -3.119 14.359 -4.617 69 HE2 TYR 85 HE1 TYR 85 0.488 11.987 -4.326 70 HH TYR 85 HH TYR 85 -0.252 13.467 -2.678 71 H LYS 86 H LYS 86 -4.634 11.207 -10.340 72 HA LYS 86 HA LYS 86 -3.172 9.989 -12.647 73 HB2 LYS 86 HB2 LYS 86 -4.805 8.360 -11.936 74 HB3 LYS 86 HB3 LYS 86 -6.081 9.577 -11.824 75 HG2 LYS 86 HG2 LYS 86 -6.144 9.873 -14.222 76 HG3 LYS 86 HG3 LYS 86 -4.679 8.921 -14.450 77 HD2 LYS 86 HD2 LYS 86 -5.876 6.906 -13.535 78 HD3 LYS 86 HD3 LYS 86 -7.355 7.892 -13.415 79 HE2 LYS 86 HE2 LYS 86 -7.214 8.332 -15.887 80 HE3 LYS 86 HE3 LYS 86 -5.773 7.308 -15.965 81 HZ1 LYS 86 HZ1 LYS 86 -8.482 6.369 -15.136 82 HZ2 LYS 86 HZ2 LYS 86 -7.793 6.068 -16.582 83 HZ3 LYS 86 HZ3 LYS 86 -7.153 5.419 -15.228 84 H ASN 87 H ASN 87 -3.195 11.220 -14.447 85 HA ASN 87 HA ASN 87 -4.432 13.915 -14.166 86 HB2 ASN 87 HB2 ASN 87 -2.047 13.681 -14.319 87 HB3 ASN 87 HB3 ASN 87 -2.170 12.912 -15.900 88 HD21 ASN 87 HD22 ASN 87 -0.758 15.383 -15.173 89 HD22 ASN 87 HD21 ASN 87 -1.563 16.673 -16.067 90 HA PRO 88 HA PRO 88 -7.531 12.646 -17.270 91 HB2 PRO 88 HB2 PRO 88 -8.106 15.597 -16.965 92 HB3 PRO 88 HB3 PRO 88 -9.261 14.233 -17.064 93 HG2 PRO 88 HG2 PRO 88 -8.676 15.364 -14.666 94 HG3 PRO 88 HG3 PRO 88 -8.780 13.577 -14.816 95 HD2 PRO 88 HD2 PRO 88 -6.308 15.317 -14.777 96 HD3 PRO 88 HD3 PRO 88 -6.631 13.768 -13.945 97 H HIS 89 H HIS 89 -5.191 15.293 -17.550 98 HA HIS 89 HA HIS 89 -5.808 15.839 -20.373 99 HB2 HIS 89 HB2 HIS 89 -3.616 16.970 -18.586 100 HB3 HIS 89 HB3 HIS 89 -4.147 17.610 -20.133 101 HD1 HIS 89 HD1 HIS 89 -6.740 18.652 -20.150 102 HD2 HIS 89 HD2 HIS 89 -4.948 17.748 -16.431 103 HE1 HIS 89 HE1 HIS 89 -8.140 19.864 -18.354 104 HE2 HIS 89 HE2 HIS 89 -7.050 19.303 -16.097 105 H THR 90 H THR 90 -3.554 13.767 -18.717 106 HA THR 90 HA THR 90 -2.023 13.328 -21.268 107 HB THR 90 HB THR 90 -0.062 12.919 -19.918 108 HG1 THR 90 HG1 THR 90 -0.214 13.175 -17.649 109 HG21 THR 90 HG21 THR 90 0.343 15.080 -18.876 110 HG22 THR 90 HG22 THR 90 -0.597 15.348 -20.356 111 HG23 THR 90 HG23 THR 90 -1.399 15.404 -18.761 112 H GLY 91 H GLY 91 -3.765 11.751 -18.658 113 HA2 GLY 91 HA2 GLY 91 -4.416 9.553 -18.428 114 HA3 GLY 91 HA3 GLY 91 -3.541 9.110 -19.899 115 H GLU 92 H GLU 92 -1.526 10.836 -17.645 116 HA GLU 92 HA GLU 92 -0.039 8.437 -16.951 117 HB2 GLU 92 HB2 GLU 92 0.386 11.394 -16.553 118 HB3 GLU 92 HB3 GLU 92 1.328 10.217 -15.642 119 HG2 GLU 92 HG2 GLU 92 1.146 10.000 -18.638 120 HG3 GLU 92 HG3 GLU 92 2.278 11.123 -17.856 121 H VAL 93 H VAL 93 0.407 7.919 -14.904 122 HA VAL 93 HA VAL 93 -1.317 8.812 -12.649 123 HB VAL 93 HB VAL 93 -0.554 5.982 -13.309 124 HG11 VAL 93 HG11 VAL 93 -1.041 6.199 -10.882 125 HG12 VAL 93 HG12 VAL 93 -2.552 7.058 -11.239 126 HG13 VAL 93 HG13 VAL 93 -2.362 5.347 -11.660 127 HG21 VAL 93 HG21 VAL 93 -2.139 6.703 -15.009 128 HG22 VAL 93 HG22 VAL 93 -3.003 5.653 -13.888 129 HG23 VAL 93 HG23 VAL 93 -3.191 7.421 -13.778 130 H ILE 94 H ILE 94 -0.442 8.414 -10.632 131 HA ILE 94 HA ILE 94 2.380 7.661 -10.245 132 HB ILE 94 HB ILE 94 1.809 9.955 -8.572 133 HG12 ILE 94 HG12 ILE 94 1.888 10.763 -11.502 134 HG13 ILE 94 HG13 ILE 94 0.450 10.813 -10.473 135 HG21 ILE 94 HG21 ILE 94 4.006 10.617 -9.118 136 HG22 ILE 94 HG22 ILE 94 4.028 8.863 -9.088 137 HG23 ILE 94 HG23 ILE 94 3.988 9.715 -10.661 138 HD11 ILE 94 HD11 ILE 94 1.375 13.014 -10.480 139 HD12 ILE 94 HD12 ILE 94 1.687 12.297 -8.877 140 HD13 ILE 94 HD13 ILE 94 2.992 12.414 -10.075 141 H GLU 95 H GLU 95 2.856 7.614 -7.939 142 HA GLU 95 HA GLU 95 0.690 7.357 -5.965 143 HB2 GLU 95 HB2 GLU 95 2.533 5.151 -6.907 144 HB3 GLU 95 HB3 GLU 95 1.917 5.166 -5.232 145 HG2 GLU 95 HG2 GLU 95 -0.364 5.085 -5.990 146 HG3 GLU 95 HG3 GLU 95 0.129 5.203 -7.683 147 H THR 96 H THR 96 1.392 8.545 -4.265 148 HA THR 96 HA THR 96 4.220 8.338 -3.366 149 HB THR 96 HB THR 96 4.840 10.462 -3.657 150 HG1 THR 96 HG1 THR 96 3.485 12.245 -3.407 151 HG21 THR 96 HG21 THR 96 3.953 11.690 -5.585 152 HG22 THR 96 HG22 THR 96 4.082 9.981 -6.006 153 HG23 THR 96 HG23 THR 96 2.493 10.676 -5.597 154 H LYS 97 H LYS 97 4.514 8.879 -1.127 155 HA LYS 97 HA LYS 97 1.999 8.846 0.496 156 HB2 LYS 97 HB2 LYS 97 4.881 8.673 1.367 157 HB3 LYS 97 HB3 LYS 97 3.479 8.304 2.359 158 HG2 LYS 97 HG2 LYS 97 2.993 6.309 1.080 159 HG3 LYS 97 HG3 LYS 97 4.200 6.717 -0.144 160 HD2 LYS 97 HD2 LYS 97 5.948 6.616 1.758 161 HD3 LYS 97 HD3 LYS 97 4.686 5.842 2.718 162 HE2 LYS 97 HE2 LYS 97 6.029 4.115 1.775 163 HE3 LYS 97 HE3 LYS 97 4.489 4.079 0.909 164 HZ1 LYS 97 HZ1 LYS 97 6.478 3.927 -0.569 165 HZ2 LYS 97 HZ2 LYS 97 5.585 5.250 -0.942 166 HZ3 LYS 97 HZ3 LYS 97 6.972 5.422 -0.107 167 H GLY 98 H GLY 98 3.446 11.213 -0.995 168 HA2 GLY 98 HA2 GLY 98 2.831 13.533 -0.263 169 HA3 GLY 98 HA3 GLY 98 3.700 13.172 1.235 170 H GLY 99 H GLY 99 4.834 15.102 0.629 171 HA2 GLY 99 HA2 GLY 99 6.836 16.038 0.283 172 HA3 GLY 99 HA3 GLY 99 7.438 14.478 -0.235 173 H ASN 100 H ASN 100 8.498 16.674 -1.169 174 HA ASN 100 HA ASN 100 7.861 17.597 -3.774 175 HB2 ASN 100 HB2 ASN 100 9.542 18.687 -2.465 176 HB3 ASN 100 HB3 ASN 100 10.332 17.183 -2.087 177 HD21 ASN 100 HD22 ASN 100 12.159 18.631 -2.567 178 HD22 ASN 100 HD21 ASN 100 12.842 18.292 -4.142 179 H HIS 101 H HIS 101 7.168 16.131 -5.255 180 HA HIS 101 HA HIS 101 9.040 13.976 -6.099 181 HB2 HIS 101 HB2 HIS 101 7.096 13.091 -4.747 182 HB3 HIS 101 HB3 HIS 101 6.005 13.682 -5.982 183 HD1 HIS 101 HD1 HIS 101 8.936 11.088 -5.605 184 HD2 HIS 101 HD2 HIS 101 5.631 12.086 -8.075 185 HE1 HIS 101 HE1 HIS 101 8.683 9.185 -7.297 186 HE2 HIS 101 HE2 HIS 101 6.693 9.782 -8.802 187 H LYS 102 H LYS 102 9.470 13.932 -8.243 188 HA LYS 102 HA LYS 102 9.287 16.272 -9.679 189 HB2 LYS 102 HB2 LYS 102 10.893 14.400 -9.934 190 HB3 LYS 102 HB3 LYS 102 9.729 13.553 -10.976 191 HG2 LYS 102 HG2 LYS 102 9.798 15.402 -12.587 192 HG3 LYS 102 HG3 LYS 102 10.673 16.411 -11.422 193 HD2 LYS 102 HD2 LYS 102 12.466 14.433 -11.507 194 HD3 LYS 102 HD3 LYS 102 11.721 14.117 -13.089 195 HE2 LYS 102 HE2 LYS 102 12.144 16.437 -13.775 196 HE3 LYS 102 HE3 LYS 102 12.617 16.844 -12.114 197 HZ1 LYS 102 HZ1 LYS 102 14.586 16.499 -13.533 198 HZ2 LYS 102 HZ2 LYS 102 14.535 15.400 -12.317 199 HZ3 LYS 102 HZ3 LYS 102 14.130 14.956 -13.852 200 H THR 103 H THR 103 7.416 13.425 -10.956 201 HA THR 103 HA THR 103 5.987 14.960 -12.839 202 HB THR 103 HB THR 103 4.965 12.443 -11.490 203 HG1 THR 103 HG1 THR 103 6.043 11.432 -13.242 204 HG21 THR 103 HG21 THR 103 4.338 13.889 -14.082 205 HG22 THR 103 HG22 THR 103 3.898 12.172 -13.835 206 HG23 THR 103 HG23 THR 103 3.217 13.423 -12.788 207 H LEU 104 H LEU 104 5.090 14.242 -9.484 208 HA LEU 104 HA LEU 104 2.469 15.356 -9.514 209 HB2 LEU 104 HB2 LEU 104 3.411 13.824 -7.782 210 HB3 LEU 104 HB3 LEU 104 4.500 15.099 -7.249 211 HG LEU 104 HG LEU 104 2.594 16.446 -6.473 212 HD11 LEU 104 HD11 LEU 104 0.325 15.415 -6.372 213 HD12 LEU 104 HD12 LEU 104 0.839 15.703 -8.045 214 HD13 LEU 104 HD13 LEU 104 0.895 14.068 -7.363 215 HD21 LEU 104 HD21 LEU 104 3.650 14.798 -4.953 216 HD22 LEU 104 HD22 LEU 104 1.930 15.014 -4.605 217 HD23 LEU 104 HD23 LEU 104 2.465 13.571 -5.475 218 H LYS 105 H LYS 105 5.667 16.886 -9.010 219 HA LYS 105 HA LYS 105 4.592 19.504 -8.381 220 HB2 LYS 105 HB2 LYS 105 6.853 18.803 -7.673 221 HB3 LYS 105 HB3 LYS 105 7.344 18.609 -9.346 222 HG2 LYS 105 HG2 LYS 105 8.252 20.670 -8.462 223 HG3 LYS 105 HG3 LYS 105 7.136 21.006 -9.771 224 HD2 LYS 105 HD2 LYS 105 6.763 22.648 -8.107 225 HD3 LYS 105 HD3 LYS 105 5.371 21.574 -8.017 226 HE2 LYS 105 HE2 LYS 105 6.506 20.381 -6.064 227 HE3 LYS 105 HE3 LYS 105 7.829 21.546 -6.189 228 HZ1 LYS 105 HZ1 LYS 105 5.013 22.101 -5.390 229 HZ2 LYS 105 HZ2 LYS 105 6.340 22.333 -4.520 230 HZ3 LYS 105 HZ3 LYS 105 6.065 23.326 -5.795 231 H GLU 106 H GLU 106 5.430 17.899 -11.475 232 HA GLU 106 HA GLU 106 5.270 20.331 -13.004 233 HB2 GLU 106 HB2 GLU 106 4.588 17.560 -14.024 234 HB3 GLU 106 HB3 GLU 106 5.135 18.975 -14.958 235 HG2 GLU 106 HG2 GLU 106 7.288 18.779 -13.521 236 HG3 GLU 106 HG3 GLU 106 6.610 17.201 -13.059 237 H TRP 107 H TRP 107 2.981 17.768 -12.214 238 HA TRP 107 HA TRP 107 0.735 18.871 -13.603 239 HB2 TRP 107 HB2 TRP 107 0.748 17.216 -11.064 240 HB3 TRP 107 HB3 TRP 107 -0.660 17.545 -12.073 241 HD1 TRP 107 HD1 TRP 107 2.117 16.764 -14.385 242 HE1 TRP 107 HE1 TRP 107 2.013 14.324 -15.132 243 HE3 TRP 107 HE3 TRP 107 -1.361 15.018 -11.045 244 HZ2 TRP 107 HZ2 TRP 107 0.816 11.884 -14.244 245 HZ3 TRP 107 HZ3 TRP 107 -2.044 12.634 -11.120 246 HH2 TRP 107 HH2 TRP 107 -0.917 11.049 -12.663 247 H LYS 108 H LYS 108 1.871 19.599 -10.295 248 HA LYS 108 HA LYS 108 -0.269 21.457 -9.667 249 HB2 LYS 108 HB2 LYS 108 2.595 21.248 -8.630 250 HB3 LYS 108 HB3 LYS 108 1.404 22.406 -8.024 251 HG2 LYS 108 HG2 LYS 108 -0.123 20.488 -7.477 252 HG3 LYS 108 HG3 LYS 108 1.178 19.375 -7.910 253 HD2 LYS 108 HD2 LYS 108 2.662 20.572 -6.240 254 HD3 LYS 108 HD3 LYS 108 1.246 21.516 -5.735 255 HE2 LYS 108 HE2 LYS 108 0.063 19.284 -5.268 256 HE3 LYS 108 HE3 LYS 108 1.585 18.482 -5.644 257 HZ1 LYS 108 HZ1 LYS 108 1.610 18.727 -3.345 258 HZ2 LYS 108 HZ2 LYS 108 2.574 19.996 -3.843 259 HZ3 LYS 108 HZ3 LYS 108 1.038 20.278 -3.354 260 H ALA 109 H ALA 109 2.828 21.842 -11.435 261 HA ALA 109 HA ALA 109 2.724 24.695 -11.554 262 HB1 ALA 109 HB1 ALA 109 4.444 24.424 -13.273 263 HB2 ALA 109 HB2 ALA 109 4.763 23.252 -11.965 264 HB3 ALA 109 HB3 ALA 109 4.032 22.730 -13.505 265 H LYS 110 H LYS 110 1.886 22.117 -13.841 266 HA LYS 110 HA LYS 110 1.119 23.741 -15.899 267 HB2 LYS 110 HB2 LYS 110 0.851 20.801 -15.312 268 HB3 LYS 110 HB3 LYS 110 0.194 21.467 -16.821 269 HG2 LYS 110 HG2 LYS 110 2.415 22.348 -17.430 270 HG3 LYS 110 HG3 LYS 110 3.091 21.772 -15.904 271 HD2 LYS 110 HD2 LYS 110 3.753 20.161 -17.499 272 HD3 LYS 110 HD3 LYS 110 2.435 19.417 -16.606 273 HE2 LYS 110 HE2 LYS 110 1.952 18.890 -18.855 274 HE3 LYS 110 HE3 LYS 110 0.874 20.244 -18.490 275 HZ1 LYS 110 HZ1 LYS 110 2.466 21.726 -19.639 276 HZ2 LYS 110 HZ2 LYS 110 3.470 20.469 -19.949 277 HZ3 LYS 110 HZ3 LYS 110 1.997 20.532 -20.640 278 H TRP 111 H TRP 111 -0.909 22.184 -13.461 279 HA TRP 111 HA TRP 111 -3.349 23.536 -14.591 280 HB2 TRP 111 HB2 TRP 111 -3.201 20.726 -13.465 281 HB3 TRP 111 HB3 TRP 111 -4.656 21.554 -14.000 282 HD1 TRP 111 HD1 TRP 111 -4.860 22.044 -16.680 283 HE1 TRP 111 HE1 TRP 111 -3.894 20.815 -18.717 284 HE3 TRP 111 HE3 TRP 111 -1.256 19.330 -14.326 285 HZ2 TRP 111 HZ2 TRP 111 -1.778 18.908 -19.259 286 HZ3 TRP 111 HZ3 TRP 111 0.329 17.907 -15.640 287 HH2 TRP 111 HH2 TRP 111 0.033 17.626 -18.077 288 H GLY 112 H GLY 112 -2.072 22.018 -11.551 289 HA2 GLY 112 HA2 GLY 112 -1.931 23.971 -9.849 290 HA3 GLY 112 HA3 GLY 112 -3.676 24.011 -9.967 291 HA PRO 113 HA PRO 113 -2.139 20.761 -6.774 292 HB2 PRO 113 HB2 PRO 113 -2.502 22.187 -4.426 293 HB3 PRO 113 HB3 PRO 113 -0.954 21.992 -5.289 294 HG2 PRO 113 HG2 PRO 113 -2.881 24.308 -5.403 295 HG3 PRO 113 HG3 PRO 113 -1.084 24.339 -5.299 296 HD2 PRO 113 HD2 PRO 113 -2.417 24.731 -7.639 297 HD3 PRO 113 HD3 PRO 113 -0.861 23.849 -7.588 298 H GLU 114 H GLU 114 -4.836 23.134 -6.716 299 HA GLU 114 HA GLU 114 -6.668 21.622 -5.142 300 HB2 GLU 114 HB2 GLU 114 -7.396 23.322 -7.533 301 HB3 GLU 114 HB3 GLU 114 -8.338 22.983 -6.054 302 HG2 GLU 114 HG2 GLU 114 -6.538 24.269 -4.787 303 HG3 GLU 114 HG3 GLU 114 -5.857 24.700 -6.368 304 H ALA 115 H ALA 115 -6.090 21.750 -8.581 305 HA ALA 115 HA ALA 115 -8.003 19.864 -9.498 306 HB1 ALA 115 HB1 ALA 115 -5.263 20.355 -10.746 307 HB2 ALA 115 HB2 ALA 115 -6.775 19.921 -11.550 308 HB3 ALA 115 HB3 ALA 115 -6.605 21.546 -10.832 309 H VAL 116 H VAL 116 -4.529 19.542 -8.910 310 HA VAL 116 HA VAL 116 -4.218 16.892 -9.405 311 HB VAL 116 HB VAL 116 -2.705 18.877 -7.720 312 HG11 VAL 116 HG11 VAL 116 -1.699 16.083 -8.341 313 HG12 VAL 116 HG12 VAL 116 -0.746 17.441 -7.672 314 HG13 VAL 116 HG13 VAL 116 -2.053 16.732 -6.728 315 HG21 VAL 116 HG21 VAL 116 -1.208 18.880 -9.630 316 HG22 VAL 116 HG22 VAL 116 -2.078 17.502 -10.353 317 HG23 VAL 116 HG23 VAL 116 -2.866 19.077 -10.245 318 H GLU 117 H GLU 117 -4.864 18.359 -6.186 319 HA GLU 117 HA GLU 117 -4.884 15.833 -4.761 320 HB2 GLU 117 HB2 GLU 117 -6.096 18.565 -4.130 321 HB3 GLU 117 HB3 GLU 117 -6.145 17.181 -3.034 322 HG2 GLU 117 HG2 GLU 117 -3.675 17.109 -2.973 323 HG3 GLU 117 HG3 GLU 117 -3.592 18.511 -4.042 324 H SER 118 H SER 118 -7.387 17.676 -6.521 325 HA SER 118 HA SER 118 -9.643 16.173 -5.508 326 HB2 SER 118 HB2 SER 118 -9.832 18.416 -6.551 327 HB3 SER 118 HB3 SER 118 -9.407 17.703 -8.123 328 HG SER 118 HG SER 118 -11.710 17.910 -7.744 329 H TRP 119 H TRP 119 -7.425 15.703 -8.234 330 HA TRP 119 HA TRP 119 -8.814 13.447 -9.398 331 HB2 TRP 119 HB2 TRP 119 -5.852 14.078 -9.552 332 HB3 TRP 119 HB3 TRP 119 -6.816 13.090 -10.641 333 HD1 TRP 119 HD1 TRP 119 -9.131 15.523 -10.892 334 HE1 TRP 119 HE1 TRP 119 -8.609 17.440 -12.505 335 HE3 TRP 119 HE3 TRP 119 -4.069 14.854 -11.337 336 HZ2 TRP 119 HZ2 TRP 119 -6.280 18.588 -13.778 337 HZ3 TRP 119 HZ3 TRP 119 -2.728 16.362 -12.795 338 HH2 TRP 119 HH2 TRP 119 -3.821 18.233 -14.003 339 H ALA 120 H ALA 120 -7.048 13.595 -6.398 340 HA ALA 120 HA ALA 120 -5.605 11.207 -6.700 341 HB1 ALA 120 HB1 ALA 120 -6.338 12.426 -4.032 342 HB2 ALA 120 HB2 ALA 120 -4.877 11.507 -4.482 343 HB3 ALA 120 HB3 ALA 120 -5.135 13.159 -5.106 344 H THR 121 H THR 121 -5.621 9.604 -5.191 345 HA THR 121 HA THR 121 -8.138 8.128 -4.386 346 HB THR 121 HB THR 121 -5.812 7.123 -6.052 347 HG1 THR 121 HG1 THR 121 -7.431 6.883 -7.683 348 HG21 THR 121 HG21 THR 121 -7.419 5.113 -6.297 349 HG22 THR 121 HG22 THR 121 -6.700 5.316 -4.697 350 HG23 THR 121 HG23 THR 121 -8.368 5.872 -4.982 351 H LEU 122 H LEU 122 -7.798 6.807 -2.613 352 HA LEU 122 HA LEU 122 -5.163 7.151 -1.212 353 HB2 LEU 122 HB2 LEU 122 -7.406 8.125 -0.345 354 HB3 LEU 122 HB3 LEU 122 -7.788 6.476 0.130 355 HG LEU 122 HG LEU 122 -5.340 8.089 1.003 356 HD11 LEU 122 HD11 LEU 122 -7.497 8.919 1.922 357 HD12 LEU 122 HD12 LEU 122 -7.842 7.297 2.561 358 HD13 LEU 122 HD13 LEU 122 -6.461 8.233 3.186 359 HD21 LEU 122 HD21 LEU 122 -4.662 5.843 1.199 360 HD22 LEU 122 HD22 LEU 122 -5.185 6.281 2.816 361 HD23 LEU 122 HD23 LEU 122 -6.260 5.305 1.795 362 H LEU 123 H LEU 123 -3.947 5.483 -0.968 363 HA LEU 123 HA LEU 123 -4.945 2.706 -1.400 364 HB2 LEU 123 HB2 LEU 123 -2.326 4.034 -2.241 365 HB3 LEU 123 HB3 LEU 123 -2.743 2.336 -2.480 366 HG LEU 123 HG LEU 123 -4.121 4.751 -3.735 367 HD11 LEU 123 HD11 LEU 123 -1.909 4.302 -4.615 368 HD12 LEU 123 HD12 LEU 123 -2.274 2.582 -4.825 369 HD13 LEU 123 HD13 LEU 123 -3.117 3.785 -5.818 370 HD21 LEU 123 HD21 LEU 123 -5.768 2.909 -3.457 371 HD22 LEU 123 HD22 LEU 123 -5.307 3.081 -5.153 372 HD23 LEU 123 HD23 LEU 123 -4.624 1.756 -4.172 373 H GLY 124 H GLY 124 -4.574 1.318 0.085 374 HA2 GLY 124 HA2 GLY 124 -3.217 2.089 2.577 375 HA3 GLY 124 HA3 GLY 124 -4.233 0.680 2.314 376 H HIS 125 H HIS 125 -2.258 0.208 -0.148 377 HA HIS 125 HA HIS 125 0.172 -0.771 1.204 378 HB2 HIS 125 HB2 HIS 125 -1.346 -2.567 1.610 379 HB3 HIS 125 HB3 HIS 125 -1.830 -2.632 -0.094 380 HD1 HIS 125 HD1 HIS 125 -0.054 -3.785 -1.782 381 HD2 HIS 125 HD2 HIS 125 1.034 -3.641 2.297 382 HE1 HIS 125 HE1 HIS 125 1.973 -5.363 -1.514 383 HE2 HIS 125 HE2 HIS 125 2.639 -5.254 0.975 384 H5' DC 1 H5' DC 1 -4.792 29.037 7.794 385 H5'' DC 1 H5'' DC 1 -3.412 29.828 7.045 386 H4' DC 1 H4' DC 1 -3.069 29.764 9.411 387 H3' DC 1 H3' DC 1 -1.256 28.656 7.591 388 H2' DC 1 H2' DC 1 -1.368 26.488 8.161 389 H2'' DC 1 H2'' DC 1 -0.358 26.897 9.536 390 H1' DC 1 H1' DC 1 -2.090 27.074 11.034 391 H41 DC 1 H41 DC 1 -4.936 21.403 9.110 392 H42 DC 1 H42 DC 1 -4.795 21.402 10.872 393 H5 DC 1 H5 DC 1 -4.157 23.319 7.752 394 H6 DC 1 H6 DC 1 -3.193 25.536 7.904 395 HO5' DC 1 H5T DC 1 -4.108 27.925 5.869 396 H5' DG 2 H5' DG 2 0.153 28.973 12.134 397 H5'' DG 2 H5'' DG 2 1.729 29.765 12.157 398 H4' DG 2 H4' DG 2 1.783 28.229 13.913 399 H3' DG 2 H3' DG 2 3.635 27.901 11.819 400 H2' DG 2 H2' DG 2 2.619 26.000 10.949 401 H2'' DG 2 H2'' DG 2 3.688 25.190 12.107 402 H1' DG 2 H1' DG 2 2.000 25.085 13.789 403 H8 DG 2 H8 DG 2 0.732 25.167 10.177 404 H1 DG 2 H1 DG 2 -1.183 20.072 13.628 405 H21 DG 2 H21 DG 2 0.641 21.586 16.113 406 H22 DG 2 H22 DG 2 -0.341 20.202 15.617 407 H5' DC 3 H5' DC 3 4.107 25.416 15.803 408 H5'' DC 3 H5'' DC 3 5.802 25.389 16.294 409 H4' DC 3 H4' DC 3 4.733 23.346 16.968 410 H3' DC 3 H3' DC 3 6.971 23.315 15.095 411 H2' DC 3 H2' DC 3 6.161 21.786 13.649 412 H2'' DC 3 H2'' DC 3 6.129 20.585 14.947 413 H1' DC 3 H1' DC 3 3.928 20.855 15.413 414 H41 DC 3 H41 DC 3 1.790 21.381 9.173 415 H42 DC 3 H42 DC 3 1.156 19.903 9.910 416 H5 DC 3 H5 DC 3 3.398 22.805 10.366 417 H6 DC 3 H6 DC 3 4.490 23.126 12.576 418 H5' DA 4 H5' DA 4 6.189 19.558 17.444 419 H5'' DA 4 H5'' DA 4 7.625 18.873 18.209 420 H4' DA 4 H4' DA 4 6.373 17.070 17.377 421 H3' DA 4 H3' DA 4 8.979 17.555 16.255 422 H2' DA 4 H2' DA 4 8.188 17.896 14.133 423 H2'' DA 4 H2'' DA 4 8.234 16.136 14.022 424 H1' DA 4 H1' DA 4 5.932 15.911 14.688 425 H8 DA 4 H8 DA 4 6.820 19.257 13.071 426 H61 DA 4 H61 DA 4 2.652 17.588 8.722 427 H62 DA 4 H62 DA 4 3.680 18.906 9.262 428 H2 DA 4 H2 DA 4 3.017 14.302 11.538 429 H5' DT 5 H5' DT 5 7.137 13.380 15.453 430 H5'' DT 5 H5'' DT 5 8.314 12.123 15.844 431 H4' DT 5 H4' DT 5 7.132 11.392 13.942 432 H3' DT 5 H3' DT 5 9.954 11.832 13.741 433 H2' DT 5 H2' DT 5 9.795 13.442 12.105 434 H2'' DT 5 H2'' DT 5 9.634 12.069 11.002 435 H1' DT 5 H1' DT 5 7.259 12.093 11.092 436 H3 DT 5 H3 DT 5 5.664 15.257 8.297 437 H71 DT 5 H71 DT 5 8.190 18.556 10.797 438 H72 DT 5 H72 DT 5 9.496 17.534 11.454 439 H73 DT 5 H73 DT 5 9.443 17.928 9.724 440 H6 DT 5 H6 DT 5 8.954 15.357 11.842 441 H5' DA 6 H5' DA 6 7.435 9.041 10.947 442 H5'' DA 6 H5'' DA 6 8.338 7.542 10.736 443 H4' DA 6 H4' DA 6 6.946 7.823 8.855 444 H3' DA 6 H3' DA 6 9.710 7.520 8.523 445 H2' DA 6 H2' DA 6 10.183 9.680 7.947 446 H2'' DA 6 H2'' DA 6 9.771 9.146 6.328 447 H1' DA 6 H1' DA 6 7.595 9.993 6.411 448 H8 DA 6 H8 DA 6 10.071 11.601 8.868 449 H61 DA 6 H61 DA 6 8.332 16.907 6.034 450 H62 DA 6 H62 DA 6 9.497 16.239 7.173 451 H2 DA 6 H2 DA 6 5.907 13.696 4.437 452 H5' DT 7 H5' DT 7 6.885 7.831 5.119 453 H5'' DT 7 H5'' DT 7 7.077 6.672 3.805 454 H4' DT 7 H4' DT 7 6.282 8.831 2.993 455 H3' DT 7 H3' DT 7 8.565 7.524 1.901 456 H2' DT 7 H2' DT 7 10.038 9.204 2.605 457 H2'' DT 7 H2'' DT 7 9.533 9.962 1.077 458 H1' DT 7 H1' DT 7 7.707 11.130 2.134 459 H3 DT 7 H3 DT 7 9.837 14.922 3.325 460 H71 DT 7 H71 DT 7 13.166 12.143 5.423 461 H72 DT 7 H72 DT 7 12.058 12.376 6.777 462 H73 DT 7 H73 DT 7 12.174 10.780 5.994 463 H6 DT 7 H6 DT 7 10.435 10.291 4.501 464 H5' DA 8 H5' DA 8 7.375 10.775 -1.395 465 H5'' DA 8 H5'' DA 8 7.484 9.893 -2.917 466 H4' DA 8 H4' DA 8 8.724 11.835 -3.274 467 H3' DA 8 H3' DA 8 10.429 9.439 -2.935 468 H2' DA 8 H2' DA 8 11.892 10.466 -1.573 469 H2'' DA 8 H2'' DA 8 12.378 11.452 -2.980 470 H1' DA 8 H1' DA 8 10.941 13.200 -2.465 471 H8 DA 8 H8 DA 8 11.590 11.038 0.764 472 H61 DA 8 H61 DA 8 13.402 16.651 2.983 473 H62 DA 8 H62 DA 8 13.164 14.992 3.523 474 H2 DA 8 H2 DA 8 12.197 17.180 -1.028 475 H5' DT 9 H5' DT 9 10.835 12.867 -5.977 476 H5'' DT 9 H5'' DT 9 11.465 12.222 -7.502 477 H4' DT 9 H4' DT 9 11.976 14.557 -7.389 478 H3' DT 9 H3' DT 9 13.983 12.613 -7.679 479 H2' DT 9 H2' DT 9 15.053 12.927 -5.716 480 H2'' DT 9 H2'' DT 9 15.802 14.323 -6.481 481 H1' DT 9 H1' DT 9 14.287 15.862 -5.624 482 H3 DT 9 H3 DT 9 15.322 16.511 -1.270 483 H71 DT 9 H71 DT 9 15.964 11.733 -1.048 484 H72 DT 9 H72 DT 9 14.312 11.874 -0.458 485 H73 DT 9 H73 DT 9 14.620 11.153 -2.053 486 H6 DT 9 H6 DT 9 14.164 12.587 -3.835 487 H5' DG 10 H5' DG 10 14.735 17.149 -8.192 488 H5'' DG 10 H5'' DG 10 15.551 17.423 -9.730 489 H4' DG 10 H4' DG 10 16.165 19.191 -8.301 490 H3' DG 10 H3' DG 10 18.118 17.568 -9.458 491 H2' DG 10 H2' DG 10 18.645 16.412 -7.507 492 H2'' DG 10 H2'' DG 10 19.793 17.736 -7.300 493 H1' DG 10 H1' DG 10 18.322 18.981 -5.908 494 H8 DG 10 H8 DG 10 17.732 15.204 -5.943 495 H1 DG 10 H1 DG 10 19.042 17.690 -0.145 496 H21 DG 10 H21 DG 10 19.357 20.607 -1.924 497 H22 DG 10 H22 DG 10 19.522 19.775 -0.375 498 H5' DC 11 H5' DC 11 19.394 21.536 -7.158 499 H5'' DC 11 H5'' DC 11 20.435 22.415 -8.280 500 H4' DC 11 H4' DC 11 21.015 23.059 -6.066 501 H3' DC 11 H3' DC 11 22.927 22.049 -7.828 502 H2' DC 11 H2' DC 11 23.268 20.009 -6.817 503 H2'' DC 11 H2'' DC 11 24.372 20.896 -5.769 504 H1' DC 11 H1' DC 11 22.826 21.185 -4.072 505 H41 DC 11 H41 DC 11 21.075 14.818 -3.738 506 H42 DC 11 H42 DC 11 21.421 15.415 -2.110 507 H5 DC 11 H5 DC 11 21.328 16.231 -5.688 508 H6 DC 11 H6 DC 11 21.807 18.561 -6.408 509 H5' DG 12 H5' DG 12 24.939 23.455 -3.897 510 H5'' DG 12 H5'' DG 12 26.524 24.197 -4.148 511 H4' DG 12 H4' DG 12 26.717 22.568 -2.410 512 H3' DG 12 H3' DG 12 27.989 21.727 -5.007 513 HO3' DG 12 H3T DG 12 29.879 22.091 -3.722 514 H2' DG 12 H2' DG 12 28.117 19.571 -4.389 515 H2'' DG 12 H2'' DG 12 28.704 19.974 -2.755 516 H1' DG 12 H1' DG 12 26.615 19.952 -1.829 517 H8 DG 12 H8 DG 12 25.854 18.953 -5.459 518 H1 DG 12 H1 DG 12 24.635 14.497 -0.957 519 H21 DG 12 H21 DG 12 25.970 16.891 1.140 520 H22 DG 12 H22 DG 12 25.398 15.229 0.975 521 H5' DC 13 H5' DC 13 25.226 7.756 3.957 522 H5'' DC 13 H5'' DC 13 24.655 7.812 5.618 523 H4' DC 13 H4' DC 13 25.996 9.753 5.182 524 H3' DC 13 H3' DC 13 23.392 9.897 6.148 525 H2' DC 13 H2' DC 13 22.413 10.779 4.230 526 H2'' DC 13 H2'' DC 13 22.931 12.325 4.938 527 H1' DC 13 H1' DC 13 24.959 12.353 3.763 528 H41 DC 13 H41 DC 13 22.091 11.860 -2.175 529 H42 DC 13 H42 DC 13 23.287 13.160 -2.231 530 H5 DC 13 H5 DC 13 21.667 10.573 -0.139 531 H6 DC 13 H6 DC 13 22.412 10.251 2.158 532 HO5' DC 13 H5T DC 13 22.985 7.145 4.107 533 H5' DG 14 H5' DG 14 25.989 14.145 6.352 534 H5'' DG 14 H5'' DG 14 25.758 14.530 8.056 535 H4' DG 14 H4' DG 14 26.012 16.583 7.021 536 H3' DG 14 H3' DG 14 23.627 16.098 8.350 537 H2' DG 14 H2' DG 14 22.306 15.744 6.460 538 H2'' DG 14 H2'' DG 14 22.097 17.479 6.541 539 H1' DG 14 H1' DG 14 23.715 17.929 4.936 540 H8 DG 14 H8 DG 14 22.299 14.388 4.813 541 H1 DG 14 H1 DG 14 22.269 17.533 -0.808 542 H21 DG 14 H21 DG 14 23.779 20.003 1.037 543 H22 DG 14 H22 DG 14 23.116 19.503 -0.525 544 H5' DC 15 H5' DC 15 24.013 20.220 6.425 545 H5'' DC 15 H5'' DC 15 23.304 21.589 7.286 546 H4' DC 15 H4' DC 15 22.784 21.678 4.921 547 H3' DC 15 H3' DC 15 20.510 21.282 6.821 548 H2' DC 15 H2' DC 15 19.171 20.374 5.273 549 H2'' DC 15 H2'' DC 15 19.488 21.689 4.119 550 H1' DC 15 H1' DC 15 21.191 20.640 3.063 551 H41 DC 15 H41 DC 15 18.538 14.614 2.738 552 H42 DC 15 H42 DC 15 18.487 15.388 1.144 553 H5 DC 15 H5 DC 15 19.254 15.871 4.730 554 H6 DC 15 H6 DC 15 20.241 18.027 5.454 555 H5' DA 16 H5' DA 16 20.508 23.837 3.222 556 H5'' DA 16 H5'' DA 16 19.930 25.483 3.466 557 H4' DA 16 H4' DA 16 19.342 24.849 1.277 558 H3' DA 16 H3' DA 16 17.333 25.579 3.128 559 H2' DA 16 H2' DA 16 16.484 23.441 3.320 560 H2'' DA 16 H2'' DA 16 15.476 23.947 1.962 561 H1' DA 16 H1' DA 16 16.967 23.013 0.336 562 H8 DA 16 H8 DA 16 17.183 21.420 3.797 563 H61 DA 16 H61 DA 16 15.650 16.138 0.799 564 H62 DA 16 H62 DA 16 16.184 16.763 2.353 565 H2 DA 16 H2 DA 16 15.343 19.393 -2.022 566 H5' DT 17 H5' DT 17 15.781 24.979 -1.146 567 H5'' DT 17 H5'' DT 17 14.686 26.261 -1.664 568 H4' DT 17 H4' DT 17 13.827 24.178 -2.430 569 H3' DT 17 H3' DT 17 12.266 25.768 -0.584 570 H2' DT 17 H2' DT 17 12.025 24.082 0.937 571 H2'' DT 17 H2'' DT 17 10.789 23.437 -0.151 572 H1' DT 17 H1' DT 17 12.355 22.078 -1.340 573 H3 DT 17 H3 DT 17 12.832 18.271 1.060 574 H71 DT 17 H71 DT 17 12.839 21.070 4.993 575 H72 DT 17 H72 DT 17 14.574 20.944 4.665 576 H73 DT 17 H73 DT 17 13.723 22.488 4.383 577 H6 DT 17 H6 DT 17 13.319 22.923 2.181 578 H5' DA 18 H5' DA 18 10.316 22.493 -2.857 579 H5'' DA 18 H5'' DA 18 8.962 23.083 -3.824 580 H4' DA 18 H4' DA 18 8.300 20.968 -3.168 581 H3' DA 18 H3' DA 18 6.864 23.105 -1.776 582 H2' DA 18 H2' DA 18 7.346 22.295 0.280 583 H2'' DA 18 H2'' DA 18 6.060 21.118 -0.064 584 H1' DA 18 H1' DA 18 7.583 19.497 -0.829 585 H8 DA 18 H8 DA 18 8.934 21.917 1.828 586 H61 DA 18 H61 DA 18 10.897 16.526 4.469 587 H62 DA 18 H62 DA 18 10.783 18.256 4.812 588 H2 DA 18 H2 DA 18 9.440 15.636 0.578 589 H5' DT 19 H5' DT 19 5.616 18.819 -2.311 590 H5'' DT 19 H5'' DT 19 4.058 18.761 -3.141 591 H4' DT 19 H4' DT 19 3.842 16.976 -1.643 592 H3' DT 19 H3' DT 19 2.268 19.282 -0.955 593 H2' DT 19 H2' DT 19 3.599 19.854 0.828 594 H2'' DT 19 H2'' DT 19 2.468 18.759 1.673 595 H1' DT 19 H1' DT 19 3.881 16.829 1.229 596 H3 DT 19 H3 DT 19 6.894 16.441 4.513 597 H71 DT 19 H71 DT 19 6.022 21.254 4.936 598 H72 DT 19 H72 DT 19 7.671 21.171 4.330 599 H73 DT 19 H73 DT 19 6.372 21.725 3.248 600 H6 DT 19 H6 DT 19 5.306 20.150 1.893 601 H5' DA 20 H5' DA 20 -1.411 15.437 0.029 602 H5'' DA 20 H5'' DA 20 -0.095 16.197 0.902 603 H4' DA 20 H4' DA 20 0.002 13.256 0.146 604 H3' DA 20 H3' DA 20 -1.932 14.399 1.776 605 H2' DA 20 H2' DA 20 -0.495 15.429 3.243 606 H2'' DA 20 H2'' DA 20 -0.616 13.885 4.101 607 H1' DA 20 H1' DA 20 1.404 13.056 3.241 608 H8 DA 20 H8 DA 20 1.606 16.847 2.413 609 H61 DA 20 H61 DA 20 5.245 17.274 7.436 610 H62 DA 20 H62 DA 20 4.470 18.199 6.149 611 H2 DA 20 H2 DA 20 3.965 13.146 7.129 612 H5' DT 21 H5' DT 21 -0.232 11.034 4.147 613 H5'' DT 21 H5'' DT 21 -1.513 9.823 4.190 614 H4' DT 21 H4' DT 21 -0.516 9.591 6.261 615 H3' DT 21 H3' DT 21 -3.136 10.481 6.291 616 H2' DT 21 H2' DT 21 -2.718 12.705 6.798 617 H2'' DT 21 H2'' DT 21 -2.765 12.077 8.465 618 H1' DT 21 H1' DT 21 -0.479 11.833 8.625 619 H3 DT 21 H3 DT 21 2.019 15.578 8.972 620 H71 DT 21 H71 DT 21 -1.311 17.715 6.233 621 H72 DT 21 H72 DT 21 -0.181 17.211 4.977 622 H73 DT 21 H73 DT 21 -1.764 16.411 5.116 623 H6 DT 21 H6 DT 21 -1.601 14.307 6.019 624 H5' DG 22 H5' DG 22 -1.101 9.606 10.370 625 H5'' DG 22 H5'' DG 22 -2.205 8.771 11.484 626 H4' DG 22 H4' DG 22 -0.988 10.344 12.760 627 H3' DG 22 H3' DG 22 -3.837 10.662 12.553 628 H2' DG 22 H2' DG 22 -3.647 12.720 11.485 629 H2'' DG 22 H2'' DG 22 -3.524 13.323 13.157 630 H1' DG 22 H1' DG 22 -1.117 13.154 13.124 631 H8 DG 22 H8 DG 22 -2.793 13.981 9.772 632 H1 DG 22 H1 DG 22 1.229 18.448 12.122 633 H21 DG 22 H21 DG 22 1.535 16.189 14.692 634 H22 DG 22 H22 DG 22 1.937 17.790 14.066 635 H5' DC 23 H5' DC 23 -1.145 12.347 16.080 636 H5'' DC 23 H5'' DC 23 -1.970 11.816 17.547 637 H4' DC 23 H4' DC 23 -0.653 13.684 18.128 638 H3' DC 23 H3' DC 23 -3.413 13.695 18.558 639 H2' DC 23 H2' DC 23 -4.000 15.244 16.958 640 H2'' DC 23 H2'' DC 23 -3.567 16.431 18.164 641 H1' DC 23 H1' DC 23 -1.434 16.793 17.333 642 H41 DC 23 H41 DC 23 -3.655 17.743 11.169 643 H42 DC 23 H42 DC 23 -2.651 19.116 11.648 644 H5 DC 23 H5 DC 23 -4.069 15.869 12.682 645 H6 DC 23 H6 DC 23 -3.484 14.973 14.925 646 H5' DG 24 H5' DG 24 -1.597 17.489 20.445 647 H5'' DG 24 H5'' DG 24 -2.380 17.945 21.962 648 H4' DG 24 H4' DG 24 -2.295 19.873 20.583 649 H3' DG 24 H3' DG 24 -5.066 18.692 20.694 650 HO3' DG 24 H3T DG 24 -5.383 20.581 22.001 651 H2' DG 24 H2' DG 24 -5.775 19.937 18.969 652 H2'' DG 24 H2'' DG 24 -4.958 21.411 19.564 653 H1' DG 24 H1' DG 24 -3.056 21.023 18.359 654 H8 DG 24 H8 DG 24 -5.258 18.097 17.206 655 H1 DG 24 H1 DG 24 -3.924 22.618 12.787 656 H21 DG 24 H21 DG 24 -2.228 24.043 15.433 657 H22 DG 24 H22 DG 24 -2.760 24.216 13.760 Start of MODEL 12 1 H ALA 79 H1 ALA 79 -1.832 6.716 9.017 2 HA ALA 79 HA ALA 79 1.030 6.016 9.389 3 HB1 ALA 79 HB1 ALA 79 0.414 4.124 7.855 4 HB2 ALA 79 HB2 ALA 79 -0.457 4.055 9.400 5 HB3 ALA 79 HB3 ALA 79 -1.293 4.657 7.949 6 H ARG 80 H ARG 80 2.309 6.025 7.516 7 HA ARG 80 HA ARG 80 1.956 8.263 5.718 8 HB2 ARG 80 HB2 ARG 80 4.018 6.039 5.855 9 HB3 ARG 80 HB3 ARG 80 4.125 7.388 4.724 10 HG2 ARG 80 HG2 ARG 80 3.781 7.861 7.698 11 HG3 ARG 80 HG3 ARG 80 5.379 7.587 6.999 12 HD2 ARG 80 HD2 ARG 80 5.369 9.608 5.837 13 HD3 ARG 80 HD3 ARG 80 3.614 9.685 5.770 14 HE ARG 80 HE ARG 80 5.356 10.398 8.088 15 HH11 ARG 80 HH12 ARG 80 2.119 10.556 6.674 16 HH12 ARG 80 HH11 ARG 80 1.571 11.618 7.929 17 HH21 ARG 80 HH22 ARG 80 4.503 11.987 9.462 18 HH22 ARG 80 HH21 ARG 80 2.782 12.303 9.430 19 H LYS 81 H LYS 81 -0.260 7.186 5.173 20 HA LYS 81 HA LYS 81 -0.687 5.182 3.241 21 HB2 LYS 81 HB2 LYS 81 -2.147 7.769 3.994 22 HB3 LYS 81 HB3 LYS 81 -2.810 6.619 2.853 23 HG2 LYS 81 HG2 LYS 81 -3.255 5.005 4.462 24 HG3 LYS 81 HG3 LYS 81 -2.034 5.614 5.602 25 HD2 LYS 81 HD2 LYS 81 -3.361 7.536 6.153 26 HD3 LYS 81 HD3 LYS 81 -4.570 7.154 4.910 27 HE2 LYS 81 HE2 LYS 81 -5.283 5.161 6.065 28 HE3 LYS 81 HE3 LYS 81 -3.893 5.201 7.151 29 HZ1 LYS 81 HZ1 LYS 81 -5.953 6.045 8.209 30 HZ2 LYS 81 HZ2 LYS 81 -4.768 7.177 8.203 31 HZ3 LYS 81 HZ3 LYS 81 -6.019 7.293 7.147 32 H VAL 82 H VAL 82 -0.415 5.047 1.288 33 HA VAL 82 HA VAL 82 0.746 7.070 -0.445 34 HB VAL 82 HB VAL 82 -0.448 4.328 -1.043 35 HG11 VAL 82 HG11 VAL 82 0.835 4.507 -3.193 36 HG12 VAL 82 HG12 VAL 82 -0.605 5.507 -3.091 37 HG13 VAL 82 HG13 VAL 82 1.007 6.254 -2.892 38 HG21 VAL 82 HG21 VAL 82 1.894 3.640 -1.185 39 HG22 VAL 82 HG22 VAL 82 2.427 5.300 -0.889 40 HG23 VAL 82 HG23 VAL 82 1.581 4.384 0.394 41 H LYS 83 H LYS 83 -0.183 8.497 -1.726 42 HA LYS 83 HA LYS 83 -3.060 8.235 -2.427 43 HB2 LYS 83 HB2 LYS 83 -1.307 10.632 -1.998 44 HB3 LYS 83 HB3 LYS 83 -2.435 10.676 -3.371 45 HG2 LYS 83 HG2 LYS 83 -4.338 10.249 -2.003 46 HG3 LYS 83 HG3 LYS 83 -3.333 10.051 -0.548 47 HD2 LYS 83 HD2 LYS 83 -2.598 12.351 -0.648 48 HD3 LYS 83 HD3 LYS 83 -3.348 12.588 -2.241 49 HE2 LYS 83 HE2 LYS 83 -5.518 12.567 -1.430 50 HE3 LYS 83 HE3 LYS 83 -5.058 11.802 0.118 51 HZ1 LYS 83 HZ1 LYS 83 -4.219 14.526 -0.693 52 HZ2 LYS 83 HZ2 LYS 83 -5.510 14.232 0.282 53 HZ3 LYS 83 HZ3 LYS 83 -4.028 13.804 0.812 54 H GLN 84 H GLN 84 -3.446 7.630 -4.433 55 HA GLN 84 HA GLN 84 -1.264 7.609 -6.424 56 HB2 GLN 84 HB2 GLN 84 -2.231 5.622 -6.930 57 HB3 GLN 84 HB3 GLN 84 -3.724 5.989 -6.052 58 HG2 GLN 84 HG2 GLN 84 -4.536 7.265 -7.962 59 HG3 GLN 84 HG3 GLN 84 -3.034 6.926 -8.869 60 HE21 GLN 84 HE21 GLN 84 -2.559 4.454 -9.184 61 HE22 GLN 84 HE22 GLN 84 -3.980 3.451 -9.434 62 H TYR 85 H TYR 85 -1.502 8.955 -8.151 63 HA TYR 85 HA TYR 85 -3.848 10.821 -8.213 64 HB2 TYR 85 HB2 TYR 85 -0.971 11.619 -8.803 65 HB3 TYR 85 HB3 TYR 85 -2.388 12.659 -8.841 66 HD1 TYR 85 HD1 TYR 85 -3.534 13.331 -6.765 67 HD2 TYR 85 HD2 TYR 85 0.189 11.167 -6.710 68 HE1 TYR 85 HE1 TYR 85 -3.128 14.132 -4.432 69 HE2 TYR 85 HE2 TYR 85 0.611 11.947 -4.388 70 HH TYR 85 HH TYR 85 -0.087 13.343 -2.693 71 H LYS 86 H LYS 86 -4.648 11.165 -10.299 72 HA LYS 86 HA LYS 86 -3.186 9.988 -12.626 73 HB2 LYS 86 HB2 LYS 86 -4.837 8.350 -11.938 74 HB3 LYS 86 HB3 LYS 86 -6.103 9.581 -11.821 75 HG2 LYS 86 HG2 LYS 86 -6.164 9.905 -14.209 76 HG3 LYS 86 HG3 LYS 86 -4.695 8.958 -14.448 77 HD2 LYS 86 HD2 LYS 86 -5.892 6.932 -13.565 78 HD3 LYS 86 HD3 LYS 86 -7.375 7.911 -13.431 79 HE2 LYS 86 HE2 LYS 86 -7.237 8.385 -15.888 80 HE3 LYS 86 HE3 LYS 86 -5.791 7.363 -15.993 81 HZ1 LYS 86 HZ1 LYS 86 -7.803 6.130 -16.619 82 HZ2 LYS 86 HZ2 LYS 86 -7.161 5.461 -15.278 83 HZ3 LYS 86 HZ3 LYS 86 -8.495 6.406 -15.171 84 H ASN 87 H ASN 87 -3.207 11.249 -14.407 85 HA ASN 87 HA ASN 87 -4.458 13.929 -14.083 86 HB2 ASN 87 HB2 ASN 87 -2.067 13.693 -14.285 87 HB3 ASN 87 HB3 ASN 87 -2.225 12.958 -15.872 88 HD21 ASN 87 HD21 ASN 87 -0.819 15.428 -15.078 89 HD22 ASN 87 HD22 ASN 87 -1.628 16.720 -15.960 90 HA PRO 88 HA PRO 88 -7.596 12.687 -17.171 91 HB2 PRO 88 HB2 PRO 88 -8.165 15.638 -16.820 92 HB3 PRO 88 HB3 PRO 88 -9.319 14.273 -16.936 93 HG2 PRO 88 HG2 PRO 88 -8.722 15.351 -14.521 94 HG3 PRO 88 HG3 PRO 88 -8.817 13.571 -14.703 95 HD2 PRO 88 HD2 PRO 88 -6.355 15.323 -14.650 96 HD3 PRO 88 HD3 PRO 88 -6.663 13.757 -13.848 97 H HIS 89 H HIS 89 -5.247 15.325 -17.454 98 HA HIS 89 HA HIS 89 -5.907 15.913 -20.257 99 HB2 HIS 89 HB2 HIS 89 -3.707 17.035 -18.477 100 HB3 HIS 89 HB3 HIS 89 -4.254 17.695 -20.009 101 HD1 HIS 89 HD1 HIS 89 -6.857 18.707 -19.999 102 HD2 HIS 89 HD2 HIS 89 -5.044 17.750 -16.302 103 HE1 HIS 89 HE1 HIS 89 -8.265 19.865 -18.178 104 HE2 HIS 89 HE2 HIS 89 -7.160 19.283 -15.931 105 H THR 90 H THR 90 -3.639 13.829 -18.650 106 HA THR 90 HA THR 90 -2.116 13.428 -21.212 107 HB THR 90 HB THR 90 -0.140 13.020 -19.904 108 HG1 THR 90 HG1 THR 90 -0.253 13.248 -17.628 109 HG21 THR 90 HG21 THR 90 -0.710 15.452 -20.285 110 HG22 THR 90 HG22 THR 90 -1.477 15.468 -18.674 111 HG23 THR 90 HG23 THR 90 0.270 15.160 -18.831 112 H GLY 91 H GLY 91 -3.822 11.811 -18.600 113 HA2 GLY 91 HA2 GLY 91 -4.461 9.609 -18.400 114 HA3 GLY 91 HA3 GLY 91 -3.584 9.190 -19.874 115 H GLU 92 H GLU 92 -1.572 10.902 -17.619 116 HA GLU 92 HA GLU 92 -0.074 8.503 -16.962 117 HB2 GLU 92 HB2 GLU 92 0.344 11.463 -16.523 118 HB3 GLU 92 HB3 GLU 92 1.297 10.274 -15.638 119 HG2 GLU 92 HG2 GLU 92 1.099 10.081 -18.629 120 HG3 GLU 92 HG3 GLU 92 2.220 11.220 -17.853 121 H VAL 93 H VAL 93 0.385 7.955 -14.930 122 HA VAL 93 HA VAL 93 -1.320 8.816 -12.649 123 HB VAL 93 HB VAL 93 -0.568 5.990 -13.356 124 HG11 VAL 93 HG11 VAL 93 -1.049 6.176 -10.931 125 HG12 VAL 93 HG12 VAL 93 -2.557 7.053 -11.271 126 HG13 VAL 93 HG13 VAL 93 -2.383 5.347 -11.717 127 HG21 VAL 93 HG21 VAL 93 -3.202 7.444 -13.801 128 HG22 VAL 93 HG22 VAL 93 -2.149 6.739 -15.045 129 HG23 VAL 93 HG23 VAL 93 -3.023 5.682 -13.930 130 H ILE 94 H ILE 94 -0.439 8.374 -10.642 131 HA ILE 94 HA ILE 94 2.382 7.610 -10.290 132 HB ILE 94 HB ILE 94 1.828 9.870 -8.564 133 HG12 ILE 94 HG12 ILE 94 1.860 10.732 -11.480 134 HG13 ILE 94 HG13 ILE 94 0.443 10.780 -10.418 135 HG21 ILE 94 HG21 ILE 94 4.052 8.787 -9.158 136 HG22 ILE 94 HG22 ILE 94 3.979 9.714 -10.685 137 HG23 ILE 94 HG23 ILE 94 4.017 10.539 -9.103 138 HD11 ILE 94 HD11 ILE 94 3.008 12.349 -10.044 139 HD12 ILE 94 HD12 ILE 94 1.397 12.969 -10.420 140 HD13 ILE 94 HD13 ILE 94 1.714 12.229 -8.830 141 H GLU 95 H GLU 95 2.888 7.532 -7.982 142 HA GLU 95 HA GLU 95 0.749 7.316 -5.984 143 HB2 GLU 95 HB2 GLU 95 2.575 5.084 -6.904 144 HB3 GLU 95 HB3 GLU 95 2.052 5.159 -5.207 145 HG2 GLU 95 HG2 GLU 95 -0.306 5.156 -5.902 146 HG3 GLU 95 HG3 GLU 95 0.192 5.038 -7.599 147 H THR 96 H THR 96 1.443 8.518 -4.306 148 HA THR 96 HA THR 96 4.273 8.335 -3.399 149 HB THR 96 HB THR 96 4.853 10.486 -3.644 150 HG1 THR 96 HG1 THR 96 3.451 12.234 -3.455 151 HG21 THR 96 HG21 THR 96 4.206 9.952 -6.010 152 HG22 THR 96 HG22 THR 96 2.583 10.602 -5.681 153 HG23 THR 96 HG23 THR 96 4.017 11.660 -5.633 154 H LYS 97 H LYS 97 4.550 8.921 -1.159 155 HA LYS 97 HA LYS 97 2.038 8.861 0.467 156 HB2 LYS 97 HB2 LYS 97 4.923 8.728 1.318 157 HB3 LYS 97 HB3 LYS 97 3.529 8.365 2.333 158 HG2 LYS 97 HG2 LYS 97 3.033 6.362 1.064 159 HG3 LYS 97 HG3 LYS 97 4.243 6.751 -0.158 160 HD2 LYS 97 HD2 LYS 97 5.990 6.651 1.730 161 HD3 LYS 97 HD3 LYS 97 4.729 5.905 2.706 162 HE2 LYS 97 HE2 LYS 97 6.043 4.152 1.787 163 HE3 LYS 97 HE3 LYS 97 4.509 4.124 0.915 164 HZ1 LYS 97 HZ1 LYS 97 5.627 5.270 -0.943 165 HZ2 LYS 97 HZ2 LYS 97 7.008 5.441 -0.108 166 HZ3 LYS 97 HZ3 LYS 97 6.506 3.941 -0.557 167 H GLY 98 H GLY 98 3.429 11.233 -1.058 168 HA2 GLY 98 HA2 GLY 98 2.844 13.573 -0.362 169 HA3 GLY 98 HA3 GLY 98 3.690 13.222 1.153 170 H GLY 99 H GLY 99 4.873 15.114 0.544 171 HA2 GLY 99 HA2 GLY 99 6.902 16.006 0.209 172 HA3 GLY 99 HA3 GLY 99 7.466 14.432 -0.315 173 H ASN 100 H ASN 100 8.548 16.653 -1.240 174 HA ASN 100 HA ASN 100 7.909 17.569 -3.847 175 HB2 ASN 100 HB2 ASN 100 9.581 18.671 -2.551 176 HB3 ASN 100 HB3 ASN 100 10.376 17.173 -2.153 177 HD21 ASN 100 HD22 ASN 100 12.202 18.628 -2.642 178 HD22 ASN 100 HD21 ASN 100 12.889 18.283 -4.216 179 H HIS 101 H HIS 101 7.187 16.070 -5.286 180 HA HIS 101 HA HIS 101 9.068 13.931 -6.156 181 HB2 HIS 101 HB2 HIS 101 7.153 13.028 -4.776 182 HB3 HIS 101 HB3 HIS 101 6.038 13.633 -5.993 183 HD1 HIS 101 HD1 HIS 101 8.959 11.031 -5.655 184 HD2 HIS 101 HD2 HIS 101 5.673 12.081 -8.124 185 HE1 HIS 101 HE1 HIS 101 8.711 9.156 -7.378 186 HE2 HIS 101 HE2 HIS 101 6.738 9.793 -8.899 187 H LYS 102 H LYS 102 9.547 13.988 -8.272 188 HA LYS 102 HA LYS 102 9.308 16.288 -9.700 189 HB2 LYS 102 HB2 LYS 102 10.911 14.425 -10.000 190 HB3 LYS 102 HB3 LYS 102 9.739 13.586 -11.028 191 HG2 LYS 102 HG2 LYS 102 9.783 15.449 -12.635 192 HG3 LYS 102 HG3 LYS 102 10.663 16.453 -11.474 193 HD2 LYS 102 HD2 LYS 102 12.459 14.468 -11.579 194 HD3 LYS 102 HD3 LYS 102 11.709 14.166 -13.160 195 HE2 LYS 102 HE2 LYS 102 12.134 16.487 -13.834 196 HE3 LYS 102 HE3 LYS 102 12.602 16.894 -12.175 197 HZ1 LYS 102 HZ1 LYS 102 14.523 15.449 -12.377 198 HZ2 LYS 102 HZ2 LYS 102 14.129 15.026 -13.918 199 HZ3 LYS 102 HZ3 LYS 102 14.575 16.562 -13.579 200 H THR 103 H THR 103 7.426 13.466 -10.985 201 HA THR 103 HA THR 103 5.962 15.017 -12.836 202 HB THR 103 HB THR 103 4.951 12.494 -11.492 203 HG1 THR 103 HG1 THR 103 6.522 12.757 -13.850 204 HG21 THR 103 HG21 THR 103 3.195 13.422 -12.782 205 HG22 THR 103 HG22 THR 103 4.297 13.962 -14.063 206 HG23 THR 103 HG23 THR 103 3.916 12.219 -13.857 207 H LEU 104 H LEU 104 5.109 14.256 -9.474 208 HA LEU 104 HA LEU 104 2.479 15.361 -9.489 209 HB2 LEU 104 HB2 LEU 104 3.431 13.783 -7.797 210 HB3 LEU 104 HB3 LEU 104 4.510 15.060 -7.231 211 HG LEU 104 HG LEU 104 2.600 16.371 -6.422 212 HD11 LEU 104 HD11 LEU 104 0.346 15.308 -6.345 213 HD12 LEU 104 HD12 LEU 104 0.847 15.654 -8.008 214 HD13 LEU 104 HD13 LEU 104 0.932 13.996 -7.377 215 HD21 LEU 104 HD21 LEU 104 2.510 13.472 -5.495 216 HD22 LEU 104 HD22 LEU 104 3.673 14.704 -4.937 217 HD23 LEU 104 HD23 LEU 104 1.955 14.888 -4.588 218 H LYS 105 H LYS 105 5.670 16.872 -8.951 219 HA LYS 105 HA LYS 105 4.597 19.509 -8.295 220 HB2 LYS 105 HB2 LYS 105 7.348 18.492 -9.122 221 HB3 LYS 105 HB3 LYS 105 7.032 20.198 -8.903 222 HG2 LYS 105 HG2 LYS 105 6.715 18.045 -6.766 223 HG3 LYS 105 HG3 LYS 105 8.076 19.148 -6.933 224 HD2 LYS 105 HD2 LYS 105 5.226 19.850 -6.126 225 HD3 LYS 105 HD3 LYS 105 6.680 19.938 -5.146 226 HE2 LYS 105 HE2 LYS 105 7.582 21.712 -6.729 227 HE3 LYS 105 HE3 LYS 105 6.035 21.666 -7.584 228 HZ1 LYS 105 HZ1 LYS 105 6.446 22.476 -4.741 229 HZ2 LYS 105 HZ2 LYS 105 5.932 23.443 -5.976 230 HZ3 LYS 105 HZ3 LYS 105 4.977 22.235 -5.360 231 H GLU 106 H GLU 106 5.390 17.912 -11.394 232 HA GLU 106 HA GLU 106 5.231 20.366 -12.903 233 HB2 GLU 106 HB2 GLU 106 4.497 17.612 -13.930 234 HB3 GLU 106 HB3 GLU 106 5.025 19.036 -14.866 235 HG2 GLU 106 HG2 GLU 106 7.226 18.811 -13.537 236 HG3 GLU 106 HG3 GLU 106 6.552 17.251 -13.013 237 H TRP 107 H TRP 107 2.940 17.795 -12.115 238 HA TRP 107 HA TRP 107 0.704 18.907 -13.487 239 HB2 TRP 107 HB2 TRP 107 0.695 17.230 -10.959 240 HB3 TRP 107 HB3 TRP 107 -0.705 17.569 -11.974 241 HD1 TRP 107 HD1 TRP 107 2.067 16.825 -14.290 242 HE1 TRP 107 HE1 TRP 107 1.981 14.387 -15.067 243 HE3 TRP 107 HE3 TRP 107 -1.382 15.011 -10.959 244 HZ2 TRP 107 HZ2 TRP 107 0.808 11.940 -14.206 245 HZ3 TRP 107 HZ3 TRP 107 -2.036 12.619 -11.051 246 HH2 TRP 107 HH2 TRP 107 -0.915 11.065 -12.632 247 H LYS 108 H LYS 108 1.854 19.655 -10.199 248 HA LYS 108 HA LYS 108 -0.297 21.490 -9.535 249 HB2 LYS 108 HB2 LYS 108 2.598 21.337 -8.571 250 HB3 LYS 108 HB3 LYS 108 1.384 22.463 -7.933 251 HG2 LYS 108 HG2 LYS 108 -0.079 20.521 -7.358 252 HG3 LYS 108 HG3 LYS 108 1.215 19.423 -7.853 253 HD2 LYS 108 HD2 LYS 108 2.748 20.576 -6.217 254 HD3 LYS 108 HD3 LYS 108 1.361 21.549 -5.664 255 HE2 LYS 108 HE2 LYS 108 0.149 19.336 -5.189 256 HE3 LYS 108 HE3 LYS 108 1.653 18.506 -5.597 257 HZ1 LYS 108 HZ1 LYS 108 1.158 20.293 -3.296 258 HZ2 LYS 108 HZ2 LYS 108 1.757 18.754 -3.324 259 HZ3 LYS 108 HZ3 LYS 108 2.688 20.050 -3.831 260 H ALA 109 H ALA 109 2.790 21.917 -11.320 261 HA ALA 109 HA ALA 109 2.660 24.769 -11.480 262 HB1 ALA 109 HB1 ALA 109 3.945 22.797 -13.439 263 HB2 ALA 109 HB2 ALA 109 4.348 24.493 -13.217 264 HB3 ALA 109 HB3 ALA 109 4.699 23.319 -11.915 265 H LYS 110 H LYS 110 1.794 22.156 -13.709 266 HA LYS 110 HA LYS 110 0.961 23.763 -15.756 267 HB2 LYS 110 HB2 LYS 110 0.764 20.818 -15.164 268 HB3 LYS 110 HB3 LYS 110 0.072 21.472 -16.665 269 HG2 LYS 110 HG2 LYS 110 2.273 22.414 -17.285 270 HG3 LYS 110 HG3 LYS 110 2.973 21.810 -15.778 271 HD2 LYS 110 HD2 LYS 110 3.639 20.239 -17.406 272 HD3 LYS 110 HD3 LYS 110 2.321 19.472 -16.526 273 HE2 LYS 110 HE2 LYS 110 1.847 18.978 -18.777 274 HE3 LYS 110 HE3 LYS 110 0.756 20.315 -18.387 275 HZ1 LYS 110 HZ1 LYS 110 1.880 20.649 -20.533 276 HZ2 LYS 110 HZ2 LYS 110 2.342 21.832 -19.512 277 HZ3 LYS 110 HZ3 LYS 110 3.354 20.586 -19.847 278 H TRP 111 H TRP 111 -0.988 22.198 -13.261 279 HA TRP 111 HA TRP 111 -3.464 23.523 -14.335 280 HB2 TRP 111 HB2 TRP 111 -3.265 20.705 -13.240 281 HB3 TRP 111 HB3 TRP 111 -4.739 21.519 -13.747 282 HD1 TRP 111 HD1 TRP 111 -4.996 22.035 -16.418 283 HE1 TRP 111 HE1 TRP 111 -4.049 20.851 -18.486 284 HE3 TRP 111 HE3 TRP 111 -1.320 19.338 -14.156 285 HZ2 TRP 111 HZ2 TRP 111 -1.916 18.978 -19.088 286 HZ3 TRP 111 HZ3 TRP 111 0.259 17.952 -15.518 287 HH2 TRP 111 HH2 TRP 111 -0.076 17.703 -17.945 288 H GLY 112 H GLY 112 -2.140 21.980 -11.327 289 HA2 GLY 112 HA2 GLY 112 -2.003 23.938 -9.613 290 HA3 GLY 112 HA3 GLY 112 -3.751 23.938 -9.701 291 HA PRO 113 HA PRO 113 -2.054 20.700 -6.581 292 HB2 PRO 113 HB2 PRO 113 -2.362 22.094 -4.192 293 HB3 PRO 113 HB3 PRO 113 -0.842 21.943 -5.116 294 HG2 PRO 113 HG2 PRO 113 -2.828 24.213 -5.137 295 HG3 PRO 113 HG3 PRO 113 -1.028 24.284 -5.098 296 HD2 PRO 113 HD2 PRO 113 -2.446 24.664 -7.385 297 HD3 PRO 113 HD3 PRO 113 -0.871 23.814 -7.391 298 H GLU 114 H GLU 114 -4.786 22.987 -6.401 299 HA GLU 114 HA GLU 114 -6.559 21.427 -4.796 300 HB2 GLU 114 HB2 GLU 114 -7.366 23.173 -7.133 301 HB3 GLU 114 HB3 GLU 114 -8.269 22.781 -5.637 302 HG2 GLU 114 HG2 GLU 114 -6.455 24.058 -4.377 303 HG3 GLU 114 HG3 GLU 114 -5.818 24.534 -5.965 304 H ALA 115 H ALA 115 -6.077 21.652 -8.250 305 HA ALA 115 HA ALA 115 -7.991 19.790 -9.179 306 HB1 ALA 115 HB1 ALA 115 -5.272 20.316 -10.472 307 HB2 ALA 115 HB2 ALA 115 -6.805 19.922 -11.259 308 HB3 ALA 115 HB3 ALA 115 -6.604 21.521 -10.495 309 H VAL 116 H VAL 116 -4.512 19.471 -8.658 310 HA VAL 116 HA VAL 116 -4.165 16.847 -9.244 311 HB VAL 116 HB VAL 116 -2.696 18.797 -7.489 312 HG11 VAL 116 HG11 VAL 116 -1.662 16.035 -8.192 313 HG12 VAL 116 HG12 VAL 116 -0.711 17.388 -7.492 314 HG13 VAL 116 HG13 VAL 116 -2.007 16.645 -6.557 315 HG21 VAL 116 HG21 VAL 116 -1.194 18.905 -9.399 316 HG22 VAL 116 HG22 VAL 116 -2.008 17.509 -10.154 317 HG23 VAL 116 HG23 VAL 116 -2.853 19.050 -10.029 318 H GLU 117 H GLU 117 -4.816 18.195 -5.966 319 HA GLU 117 HA GLU 117 -4.901 15.657 -4.583 320 HB2 GLU 117 HB2 GLU 117 -6.048 18.452 -4.108 321 HB3 GLU 117 HB3 GLU 117 -6.429 17.137 -3.011 322 HG2 GLU 117 HG2 GLU 117 -3.534 17.755 -3.645 323 HG3 GLU 117 HG3 GLU 117 -4.445 18.752 -2.506 324 H SER 118 H SER 118 -7.357 17.548 -6.373 325 HA SER 118 HA SER 118 -9.632 16.025 -5.435 326 HB2 SER 118 HB2 SER 118 -9.364 17.690 -7.971 327 HB3 SER 118 HB3 SER 118 -10.867 17.034 -7.310 328 HG SER 118 HG SER 118 -9.132 18.973 -6.170 329 H TRP 119 H TRP 119 -7.372 15.585 -8.114 330 HA TRP 119 HA TRP 119 -8.789 13.343 -9.311 331 HB2 TRP 119 HB2 TRP 119 -5.836 13.991 -9.521 332 HB3 TRP 119 HB3 TRP 119 -6.837 13.042 -10.613 333 HD1 TRP 119 HD1 TRP 119 -9.146 15.453 -10.781 334 HE1 TRP 119 HE1 TRP 119 -8.652 17.426 -12.336 335 HE3 TRP 119 HE3 TRP 119 -4.084 14.849 -11.265 336 HZ2 TRP 119 HZ2 TRP 119 -6.344 18.631 -13.595 337 HZ3 TRP 119 HZ3 TRP 119 -2.769 16.403 -12.691 338 HH2 TRP 119 HH2 TRP 119 -3.880 18.303 -13.841 339 H ALA 120 H ALA 120 -7.052 13.466 -6.300 340 HA ALA 120 HA ALA 120 -5.560 11.101 -6.647 341 HB1 ALA 120 HB1 ALA 120 -5.122 13.020 -5.006 342 HB2 ALA 120 HB2 ALA 120 -6.327 12.255 -3.957 343 HB3 ALA 120 HB3 ALA 120 -4.860 11.362 -4.419 344 H THR 121 H THR 121 -5.572 9.469 -5.183 345 HA THR 121 HA THR 121 -8.097 7.988 -4.420 346 HB THR 121 HB THR 121 -5.760 6.990 -6.074 347 HG1 THR 121 HG1 THR 121 -7.364 6.760 -7.722 348 HG21 THR 121 HG21 THR 121 -7.363 4.969 -6.328 349 HG22 THR 121 HG22 THR 121 -6.646 5.174 -4.728 350 HG23 THR 121 HG23 THR 121 -8.313 5.731 -5.015 351 H LEU 122 H LEU 122 -7.838 6.786 -2.621 352 HA LEU 122 HA LEU 122 -5.293 7.062 -1.092 353 HB2 LEU 122 HB2 LEU 122 -7.231 7.840 0.065 354 HB3 LEU 122 HB3 LEU 122 -8.168 6.426 -0.396 355 HG LEU 122 HG LEU 122 -6.803 4.981 1.074 356 HD11 LEU 122 HD11 LEU 122 -4.630 6.171 1.056 357 HD12 LEU 122 HD12 LEU 122 -5.372 7.522 1.948 358 HD13 LEU 122 HD13 LEU 122 -5.213 5.909 2.689 359 HD21 LEU 122 HD21 LEU 122 -7.579 5.852 3.229 360 HD22 LEU 122 HD22 LEU 122 -7.821 7.463 2.508 361 HD23 LEU 122 HD23 LEU 122 -8.812 6.082 1.979 362 H LEU 123 H LEU 123 -3.953 5.413 -0.959 363 HA LEU 123 HA LEU 123 -4.872 2.609 -1.410 364 HB2 LEU 123 HB2 LEU 123 -2.287 3.993 -2.270 365 HB3 LEU 123 HB3 LEU 123 -2.660 2.277 -2.496 366 HG LEU 123 HG LEU 123 -4.153 4.633 -3.755 367 HD11 LEU 123 HD11 LEU 123 -3.077 3.734 -5.836 368 HD12 LEU 123 HD12 LEU 123 -1.907 4.319 -4.617 369 HD13 LEU 123 HD13 LEU 123 -2.177 2.580 -4.844 370 HD21 LEU 123 HD21 LEU 123 -4.424 1.610 -4.225 371 HD22 LEU 123 HD22 LEU 123 -5.664 2.655 -3.504 372 HD23 LEU 123 HD23 LEU 123 -5.204 2.877 -5.192 373 H GLY 124 H GLY 124 -4.448 1.256 0.082 374 HA2 GLY 124 HA2 GLY 124 -2.963 1.849 2.512 375 HA3 GLY 124 HA3 GLY 124 -3.761 0.327 2.095 376 H HIS 125 H HIS 125 -1.502 1.412 -0.271 377 HA HIS 125 HA HIS 125 0.295 -0.815 -0.014 378 HB2 HIS 125 HB2 HIS 125 0.641 1.770 -1.530 379 HB3 HIS 125 HB3 HIS 125 1.612 0.303 -1.676 380 HD1 HIS 125 HD1 HIS 125 0.193 1.387 -4.272 381 HD2 HIS 125 HD2 HIS 125 -1.334 -1.521 -1.584 382 HE1 HIS 125 HE1 HIS 125 -1.444 -0.075 -5.610 383 HE2 HIS 125 HE2 HIS 125 -2.389 -1.827 -3.964 384 H5' DC 1 H5' DC 1 -4.155 29.402 7.124 385 H5'' DC 1 H5'' DC 1 -2.700 30.113 6.428 386 H4' DC 1 H4' DC 1 -2.499 30.096 8.814 387 H3' DC 1 H3' DC 1 -0.631 28.878 7.126 388 H2' DC 1 H2' DC 1 -0.868 26.733 7.724 389 H2'' DC 1 H2'' DC 1 0.085 27.129 9.146 390 H1' DC 1 H1' DC 1 -1.712 27.406 10.543 391 H41 DC 1 H41 DC 1 -4.692 21.818 8.586 392 H42 DC 1 H42 DC 1 -4.634 21.843 10.354 393 H5 DC 1 H5 DC 1 -3.760 23.673 7.234 394 H6 DC 1 H6 DC 1 -2.714 25.849 7.391 395 HO5' DC 1 H5T DC 1 -3.392 28.216 5.258 396 H5' DG 2 H5' DG 2 0.569 29.232 11.731 397 H5'' DG 2 H5'' DG 2 2.180 29.947 11.809 398 H4' DG 2 H4' DG 2 2.082 28.446 13.591 399 H3' DG 2 H3' DG 2 4.011 28.004 11.587 400 H2' DG 2 H2' DG 2 2.956 26.132 10.706 401 H2'' DG 2 H2'' DG 2 3.934 25.296 11.920 402 H1' DG 2 H1' DG 2 2.171 25.292 13.524 403 H8 DG 2 H8 DG 2 1.073 25.365 9.859 404 H1 DG 2 H1 DG 2 -1.222 20.420 13.295 405 H21 DG 2 H21 DG 2 0.580 21.881 15.829 406 H22 DG 2 H22 DG 2 -0.434 20.532 15.310 407 H5' DC 3 H5' DC 3 4.217 25.559 15.628 408 H5'' DC 3 H5'' DC 3 5.886 25.468 16.185 409 H4' DC 3 H4' DC 3 4.707 23.473 16.821 410 H3' DC 3 H3' DC 3 7.018 23.333 15.053 411 H2' DC 3 H2' DC 3 6.208 21.842 13.572 412 H2'' DC 3 H2'' DC 3 6.077 20.645 14.865 413 H1' DC 3 H1' DC 3 3.870 21.010 15.262 414 H41 DC 3 H41 DC 3 1.983 21.533 8.935 415 H42 DC 3 H42 DC 3 1.248 20.104 9.681 416 H5 DC 3 H5 DC 3 3.622 22.898 10.169 417 H6 DC 3 H6 DC 3 4.649 23.205 12.417 418 H5' DA 4 H5' DA 4 5.960 19.615 17.365 419 H5'' DA 4 H5'' DA 4 7.336 18.874 18.189 420 H4' DA 4 H4' DA 4 6.067 17.117 17.301 421 H3' DA 4 H3' DA 4 8.721 17.515 16.268 422 H2' DA 4 H2' DA 4 8.005 17.874 14.126 423 H2'' DA 4 H2'' DA 4 7.994 16.108 14.019 424 H1' DA 4 H1' DA 4 5.664 15.970 14.625 425 H8 DA 4 H8 DA 4 6.717 19.268 13.004 426 H61 DA 4 H61 DA 4 2.604 17.716 8.556 427 H62 DA 4 H62 DA 4 3.654 19.000 9.132 428 H2 DA 4 H2 DA 4 2.815 14.419 11.386 429 H5' DT 5 H5' DT 5 6.849 13.358 15.427 430 H5'' DT 5 H5'' DT 5 8.009 12.083 15.822 431 H4' DT 5 H4' DT 5 6.878 11.414 13.863 432 H3' DT 5 H3' DT 5 9.720 11.864 13.751 433 H2' DT 5 H2' DT 5 9.613 13.435 12.095 434 H2'' DT 5 H2'' DT 5 9.423 12.055 11.001 435 H1' DT 5 H1' DT 5 7.060 12.124 11.070 436 H3 DT 5 H3 DT 5 5.584 15.300 8.223 437 H71 DT 5 H71 DT 5 8.125 18.562 10.744 438 H72 DT 5 H72 DT 5 9.402 17.528 11.430 439 H73 DT 5 H73 DT 5 9.382 17.909 9.692 440 H6 DT 5 H6 DT 5 8.796 15.369 11.830 441 H5' DA 6 H5' DA 6 7.292 9.095 10.883 442 H5'' DA 6 H5'' DA 6 8.179 7.583 10.700 443 H4' DA 6 H4' DA 6 6.873 7.866 8.775 444 H3' DA 6 H3' DA 6 9.650 7.576 8.543 445 H2' DA 6 H2' DA 6 10.142 9.726 7.956 446 H2'' DA 6 H2'' DA 6 9.764 9.187 6.332 447 H1' DA 6 H1' DA 6 7.594 10.049 6.359 448 H8 DA 6 H8 DA 6 10.013 11.636 8.883 449 H61 DA 6 H61 DA 6 8.385 16.949 5.995 450 H62 DA 6 H62 DA 6 9.527 16.276 7.159 451 H2 DA 6 H2 DA 6 5.964 13.760 4.359 452 H5' DT 7 H5' DT 7 6.913 7.864 5.092 453 H5'' DT 7 H5'' DT 7 7.128 6.693 3.790 454 H4' DT 7 H4' DT 7 6.306 8.829 2.952 455 H3' DT 7 H3' DT 7 8.599 7.535 1.882 456 H2' DT 7 H2' DT 7 10.062 9.216 2.614 457 H2'' DT 7 H2'' DT 7 9.595 9.968 1.071 458 H1' DT 7 H1' DT 7 7.747 11.141 2.081 459 H3 DT 7 H3 DT 7 9.873 14.934 3.259 460 H71 DT 7 H71 DT 7 12.036 12.415 6.776 461 H72 DT 7 H72 DT 7 12.147 10.813 6.012 462 H73 DT 7 H73 DT 7 13.163 12.157 5.440 463 H6 DT 7 H6 DT 7 10.433 10.317 4.509 464 H5' DA 8 H5' DA 8 7.406 10.756 -1.461 465 H5'' DA 8 H5'' DA 8 7.540 9.855 -2.970 466 H4' DA 8 H4' DA 8 8.761 11.817 -3.334 467 H3' DA 8 H3' DA 8 10.479 9.430 -2.977 468 H2' DA 8 H2' DA 8 11.948 10.487 -1.642 469 H2'' DA 8 H2'' DA 8 12.402 11.472 -3.059 470 H1' DA 8 H1' DA 8 10.960 13.208 -2.521 471 H8 DA 8 H8 DA 8 11.628 11.042 0.700 472 H61 DA 8 H61 DA 8 13.441 16.648 2.917 473 H62 DA 8 H62 DA 8 13.217 14.988 3.461 474 H2 DA 8 H2 DA 8 12.231 17.185 -1.087 475 H5' DT 9 H5' DT 9 10.857 12.850 -6.005 476 H5'' DT 9 H5'' DT 9 11.474 12.223 -7.546 477 H4' DT 9 H4' DT 9 11.986 14.556 -7.412 478 H3' DT 9 H3' DT 9 14.004 12.615 -7.725 479 H2' DT 9 H2' DT 9 15.091 12.945 -5.783 480 H2'' DT 9 H2'' DT 9 15.812 14.349 -6.550 481 H1' DT 9 H1' DT 9 14.291 15.871 -5.667 482 H3 DT 9 H3 DT 9 15.375 16.480 -1.315 483 H71 DT 9 H71 DT 9 14.337 11.825 -0.553 484 H72 DT 9 H72 DT 9 14.678 11.130 -2.156 485 H73 DT 9 H73 DT 9 16.001 11.701 -1.120 486 H6 DT 9 H6 DT 9 14.201 12.582 -3.908 487 H5' DG 10 H5' DG 10 14.663 17.152 -8.204 488 H5'' DG 10 H5'' DG 10 15.441 17.462 -9.756 489 H4' DG 10 H4' DG 10 16.022 19.240 -8.318 490 H3' DG 10 H3' DG 10 18.009 17.700 -9.533 491 H2' DG 10 H2' DG 10 18.589 16.517 -7.612 492 H2'' DG 10 H2'' DG 10 19.711 17.867 -7.401 493 H1' DG 10 H1' DG 10 18.243 19.046 -5.956 494 H8 DG 10 H8 DG 10 17.718 15.258 -6.064 495 H1 DG 10 H1 DG 10 19.097 17.641 -0.246 496 H21 DG 10 H21 DG 10 19.332 20.600 -1.965 497 H22 DG 10 H22 DG 10 19.544 19.740 -0.439 498 H5' DC 11 H5' DC 11 19.199 21.648 -7.156 499 H5'' DC 11 H5'' DC 11 20.179 22.593 -8.274 500 H4' DC 11 H4' DC 11 20.782 23.205 -6.063 501 H3' DC 11 H3' DC 11 22.697 22.306 -7.881 502 H2' DC 11 H2' DC 11 23.137 20.264 -6.931 503 H2'' DC 11 H2'' DC 11 24.218 21.165 -5.873 504 H1' DC 11 H1' DC 11 22.695 21.344 -4.143 505 H41 DC 11 H41 DC 11 21.110 14.929 -3.979 506 H42 DC 11 H42 DC 11 21.476 15.481 -2.341 507 H5 DC 11 H5 DC 11 21.308 16.404 -5.894 508 H6 DC 11 H6 DC 11 21.723 18.761 -6.550 509 H5' DG 12 H5' DG 12 24.759 23.733 -3.969 510 H5'' DG 12 H5'' DG 12 26.314 24.525 -4.250 511 H4' DG 12 H4' DG 12 26.586 22.871 -2.541 512 H3' DG 12 H3' DG 12 27.846 22.146 -5.177 513 HO3' DG 12 H3T DG 12 29.742 22.526 -3.904 514 H2' DG 12 H2' DG 12 28.050 19.973 -4.629 515 H2'' DG 12 H2'' DG 12 28.666 20.349 -2.999 516 H1' DG 12 H1' DG 12 26.598 20.241 -2.023 517 H8 DG 12 H8 DG 12 25.784 19.313 -5.660 518 H1 DG 12 H1 DG 12 24.771 14.707 -1.259 519 H21 DG 12 H21 DG 12 26.099 17.060 0.873 520 H22 DG 12 H22 DG 12 25.548 15.398 0.679 521 H5' DC 13 H5' DC 13 25.626 7.808 3.342 522 H5'' DC 13 H5'' DC 13 25.032 7.762 4.999 523 H4' DC 13 H4' DC 13 26.361 9.730 4.677 524 H3' DC 13 H3' DC 13 23.769 9.786 5.665 525 H2' DC 13 H2' DC 13 22.754 10.736 3.799 526 H2'' DC 13 H2'' DC 13 23.238 12.256 4.577 527 H1' DC 13 H1' DC 13 25.235 12.415 3.369 528 H41 DC 13 H41 DC 13 22.312 12.001 -2.548 529 H42 DC 13 H42 DC 13 23.451 13.351 -2.569 530 H5 DC 13 H5 DC 13 21.964 10.628 -0.545 531 H6 DC 13 H6 DC 13 22.758 10.256 1.727 532 HO5' DC 13 H5T DC 13 23.394 7.154 3.432 533 H5' DG 14 H5' DG 14 26.244 14.070 6.021 534 H5'' DG 14 H5'' DG 14 26.028 14.410 7.735 535 H4' DG 14 H4' DG 14 26.214 16.495 6.745 536 H3' DG 14 H3' DG 14 23.860 15.914 8.103 537 H2' DG 14 H2' DG 14 22.517 15.590 6.223 538 H2'' DG 14 H2'' DG 14 22.273 17.314 6.359 539 H1' DG 14 H1' DG 14 23.855 17.843 4.737 540 H8 DG 14 H8 DG 14 22.496 14.277 4.536 541 H1 DG 14 H1 DG 14 22.304 17.586 -0.989 542 H21 DG 14 H21 DG 14 23.783 20.041 0.907 543 H22 DG 14 H22 DG 14 23.116 19.569 -0.659 544 H5' DC 15 H5' DC 15 24.147 20.094 6.301 545 H5'' DC 15 H5'' DC 15 23.434 21.428 7.207 546 H4' DC 15 H4' DC 15 22.882 21.565 4.845 547 H3' DC 15 H3' DC 15 20.643 21.113 6.770 548 H2' DC 15 H2' DC 15 19.283 20.230 5.212 549 H2'' DC 15 H2'' DC 15 19.581 21.578 4.088 550 H1' DC 15 H1' DC 15 21.278 20.558 2.992 551 H41 DC 15 H41 DC 15 18.679 14.516 2.573 552 H42 DC 15 H42 DC 15 18.602 15.320 0.997 553 H5 DC 15 H5 DC 15 19.427 15.730 4.580 554 H6 DC 15 H6 DC 15 20.390 17.889 5.336 555 H5' DA 16 H5' DA 16 20.592 23.749 3.233 556 H5'' DA 16 H5'' DA 16 20.012 25.389 3.521 557 H4' DA 16 H4' DA 16 19.409 24.800 1.322 558 H3' DA 16 H3' DA 16 17.415 25.496 3.202 559 H2' DA 16 H2' DA 16 16.567 23.349 3.374 560 H2'' DA 16 H2'' DA 16 15.545 23.875 2.034 561 H1' DA 16 H1' DA 16 17.017 22.958 0.379 562 H8 DA 16 H8 DA 16 17.275 21.327 3.818 563 H61 DA 16 H61 DA 16 15.715 16.081 0.775 564 H62 DA 16 H62 DA 16 16.260 16.688 2.329 565 H2 DA 16 H2 DA 16 15.391 19.366 -2.013 566 H5' DT 17 H5' DT 17 15.911 24.942 -1.101 567 H5'' DT 17 H5'' DT 17 14.850 26.251 -1.626 568 H4' DT 17 H4' DT 17 13.998 24.201 -2.490 569 H3' DT 17 H3' DT 17 12.390 25.778 -0.700 570 H2' DT 17 H2' DT 17 12.132 24.104 0.842 571 H2'' DT 17 H2'' DT 17 10.885 23.486 -0.247 572 H1' DT 17 H1' DT 17 12.422 22.079 -1.426 573 H3 DT 17 H3 DT 17 12.879 18.270 0.985 574 H71 DT 17 H71 DT 17 14.620 20.940 4.590 575 H72 DT 17 H72 DT 17 13.785 22.490 4.294 576 H73 DT 17 H73 DT 17 12.884 21.091 4.906 577 H6 DT 17 H6 DT 17 13.382 22.924 2.095 578 H5' DA 18 H5' DA 18 10.451 22.492 -2.971 579 H5'' DA 18 H5'' DA 18 9.106 23.071 -3.954 580 H4' DA 18 H4' DA 18 8.418 20.981 -3.287 581 H3' DA 18 H3' DA 18 6.998 23.134 -1.896 582 H2' DA 18 H2' DA 18 7.485 22.330 0.162 583 H2'' DA 18 H2'' DA 18 6.189 21.166 -0.175 584 H1' DA 18 H1' DA 18 7.696 19.526 -0.939 585 H8 DA 18 H8 DA 18 9.068 21.943 1.710 586 H61 DA 18 H61 DA 18 10.911 16.543 4.410 587 H62 DA 18 H62 DA 18 10.820 18.276 4.739 588 H2 DA 18 H2 DA 18 9.470 15.648 0.510 589 H5' DT 19 H5' DT 19 5.777 18.848 -2.385 590 H5'' DT 19 H5'' DT 19 4.232 18.803 -3.245 591 H4' DT 19 H4' DT 19 3.985 17.008 -1.763 592 H3' DT 19 H3' DT 19 2.408 19.310 -1.086 593 H2' DT 19 H2' DT 19 3.716 19.889 0.708 594 H2'' DT 19 H2'' DT 19 2.568 18.806 1.542 595 H1' DT 19 H1' DT 19 3.977 16.865 1.132 596 H3 DT 19 H3 DT 19 6.968 16.480 4.432 597 H71 DT 19 H71 DT 19 6.483 21.762 3.133 598 H72 DT 19 H72 DT 19 6.115 21.305 4.813 599 H73 DT 19 H73 DT 19 7.771 21.210 4.231 600 H6 DT 19 H6 DT 19 5.411 20.178 1.783 601 H5' DA 20 H5' DA 20 -1.354 15.583 -0.169 602 H5'' DA 20 H5'' DA 20 -0.032 16.309 0.729 603 H4' DA 20 H4' DA 20 -0.039 13.360 0.009 604 H3' DA 20 H3' DA 20 -1.920 14.654 1.601 605 H2' DA 20 H2' DA 20 -0.488 15.582 3.106 606 H2'' DA 20 H2'' DA 20 -0.661 14.040 3.951 607 H1' DA 20 H1' DA 20 1.336 13.154 3.128 608 H8 DA 20 H8 DA 20 1.648 16.930 2.248 609 H61 DA 20 H61 DA 20 5.252 17.362 7.285 610 H62 DA 20 H62 DA 20 4.474 18.280 5.998 611 H2 DA 20 H2 DA 20 3.941 13.240 6.997 612 H5' DT 21 H5' DT 21 -0.503 11.176 3.919 613 H5'' DT 21 H5'' DT 21 -1.873 10.067 4.024 614 H4' DT 21 H4' DT 21 -0.761 9.790 6.047 615 H3' DT 21 H3' DT 21 -3.346 10.757 6.127 616 H2' DT 21 H2' DT 21 -2.865 12.963 6.636 617 H2'' DT 21 H2'' DT 21 -2.898 12.338 8.301 618 H1' DT 21 H1' DT 21 -0.610 12.020 8.412 619 H3 DT 21 H3 DT 21 1.952 15.713 8.766 620 H71 DT 21 H71 DT 21 -0.207 17.422 4.786 621 H72 DT 21 H72 DT 21 -1.808 16.647 4.909 622 H73 DT 21 H73 DT 21 -1.342 17.937 6.037 623 H6 DT 21 H6 DT 21 -1.707 14.537 5.826 624 H5' DG 22 H5' DG 22 -1.373 9.913 10.253 625 H5'' DG 22 H5'' DG 22 -2.514 9.106 11.354 626 H4' DG 22 H4' DG 22 -1.360 10.710 12.633 627 H3' DG 22 H3' DG 22 -4.191 11.103 12.247 628 H2' DG 22 H2' DG 22 -3.891 13.141 11.190 629 H2'' DG 22 H2'' DG 22 -3.803 13.755 12.863 630 H1' DG 22 H1' DG 22 -1.405 13.498 12.916 631 H8 DG 22 H8 DG 22 -2.930 14.351 9.495 632 H1 DG 22 H1 DG 22 1.190 18.675 11.939 633 H21 DG 22 H21 DG 22 1.323 16.435 14.543 634 H22 DG 22 H22 DG 22 1.819 18.005 13.903 635 H5' DC 23 H5' DC 23 -1.614 12.713 15.890 636 H5'' DC 23 H5'' DC 23 -2.530 12.265 17.325 637 H4' DC 23 H4' DC 23 -1.154 14.074 17.919 638 H3' DC 23 H3' DC 23 -3.924 14.231 18.225 639 H2' DC 23 H2' DC 23 -4.361 15.773 16.571 640 H2'' DC 23 H2'' DC 23 -3.919 16.965 17.775 641 H1' DC 23 H1' DC 23 -1.735 17.197 17.042 642 H41 DC 23 H41 DC 23 -3.680 18.157 10.785 643 H42 DC 23 H42 DC 23 -2.633 19.492 11.283 644 H5 DC 23 H5 DC 23 -4.230 16.331 12.306 645 H6 DC 23 H6 DC 23 -3.766 15.433 14.574 646 H5' DG 24 H5' DG 24 -2.005 17.983 20.116 647 H5'' DG 24 H5'' DG 24 -2.834 18.505 21.584 648 H4' DG 24 H4' DG 24 -2.605 20.395 20.172 649 H3' DG 24 H3' DG 24 -5.425 19.345 20.205 650 HO3' DG 24 H3T DG 24 -5.703 21.274 21.463 651 H2' DG 24 H2' DG 24 -6.014 20.583 18.425 652 H2'' DG 24 H2'' DG 24 -5.155 22.028 19.022 653 H1' DG 24 H1' DG 24 -3.221 21.528 17.908 654 H8 DG 24 H8 DG 24 -5.509 18.684 16.721 655 H1 DG 24 H1 DG 24 -3.809 23.068 12.285 656 H21 DG 24 H21 DG 24 -2.154 24.463 14.975 657 H22 DG 24 H22 DG 24 -2.612 24.629 13.278 Start of MODEL 13 1 H ALA 79 H1 ALA 79 -1.780 6.919 8.990 2 HA ALA 79 HA ALA 79 1.058 6.137 9.391 3 HB1 ALA 79 HB1 ALA 79 0.375 4.219 7.911 4 HB2 ALA 79 HB2 ALA 79 -0.500 4.232 9.452 5 HB3 ALA 79 HB3 ALA 79 -1.310 4.815 7.984 6 H ARG 80 H ARG 80 2.337 6.039 7.520 7 HA ARG 80 HA ARG 80 2.076 8.211 5.641 8 HB2 ARG 80 HB2 ARG 80 4.027 5.894 5.875 9 HB3 ARG 80 HB3 ARG 80 4.203 7.181 4.672 10 HG2 ARG 80 HG2 ARG 80 3.897 7.810 7.622 11 HG3 ARG 80 HG3 ARG 80 5.479 7.453 6.917 12 HD2 ARG 80 HD2 ARG 80 5.577 9.450 5.787 13 HD3 ARG 80 HD3 ARG 80 3.841 9.501 5.509 14 HE ARG 80 HE ARG 80 5.281 10.321 8.004 15 HH11 ARG 80 HH12 ARG 80 2.402 10.608 6.027 16 HH12 ARG 80 HH11 ARG 80 1.567 11.578 7.181 17 HH21 ARG 80 HH22 ARG 80 4.266 11.893 9.247 18 HH22 ARG 80 HH21 ARG 80 2.591 12.276 8.967 19 H LYS 81 H LYS 81 -0.190 7.257 5.142 20 HA LYS 81 HA LYS 81 -0.710 5.201 3.268 21 HB2 LYS 81 HB2 LYS 81 -2.077 7.845 3.984 22 HB3 LYS 81 HB3 LYS 81 -2.778 6.690 2.850 23 HG2 LYS 81 HG2 LYS 81 -3.251 5.110 4.478 24 HG3 LYS 81 HG3 LYS 81 -2.017 5.707 5.611 25 HD2 LYS 81 HD2 LYS 81 -3.309 7.661 6.146 26 HD3 LYS 81 HD3 LYS 81 -4.527 7.289 4.913 27 HE2 LYS 81 HE2 LYS 81 -5.265 5.313 6.074 28 HE3 LYS 81 HE3 LYS 81 -3.883 5.349 7.169 29 HZ1 LYS 81 HZ1 LYS 81 -5.980 7.466 7.144 30 HZ2 LYS 81 HZ2 LYS 81 -5.940 6.221 8.209 31 HZ3 LYS 81 HZ3 LYS 81 -4.737 7.330 8.208 32 H VAL 82 H VAL 82 -0.423 5.031 1.324 33 HA VAL 82 HA VAL 82 0.826 6.982 -0.451 34 HB VAL 82 HB VAL 82 -0.465 4.285 -1.021 35 HG11 VAL 82 HG11 VAL 82 -0.516 5.430 -3.084 36 HG12 VAL 82 HG12 VAL 82 1.103 6.152 -2.854 37 HG13 VAL 82 HG13 VAL 82 0.920 4.410 -3.159 38 HG21 VAL 82 HG21 VAL 82 1.519 4.201 0.460 39 HG22 VAL 82 HG22 VAL 82 1.773 3.409 -1.106 40 HG23 VAL 82 HG23 VAL 82 2.468 5.017 -0.826 41 H LYS 83 H LYS 83 -0.120 8.413 -1.750 42 HA LYS 83 HA LYS 83 -3.013 8.175 -2.408 43 HB2 LYS 83 HB2 LYS 83 -1.213 10.551 -2.028 44 HB3 LYS 83 HB3 LYS 83 -2.352 10.597 -3.389 45 HG2 LYS 83 HG2 LYS 83 -4.258 10.234 -1.991 46 HG3 LYS 83 HG3 LYS 83 -3.236 10.047 -0.544 47 HD2 LYS 83 HD2 LYS 83 -2.443 12.325 -0.705 48 HD3 LYS 83 HD3 LYS 83 -3.203 12.543 -2.296 49 HE2 LYS 83 HE2 LYS 83 -5.349 12.657 -1.471 50 HE3 LYS 83 HE3 LYS 83 -4.919 11.886 0.084 51 HZ1 LYS 83 HZ1 LYS 83 -5.236 14.349 0.206 52 HZ2 LYS 83 HZ2 LYS 83 -3.806 13.820 0.769 53 HZ3 LYS 83 HZ3 LYS 83 -3.909 14.555 -0.732 54 H GLN 84 H GLN 84 -3.424 7.576 -4.409 55 HA GLN 84 HA GLN 84 -1.246 7.513 -6.414 56 HB2 GLN 84 HB2 GLN 84 -2.225 5.525 -6.903 57 HB3 GLN 84 HB3 GLN 84 -3.716 5.904 -6.024 58 HG2 GLN 84 HG2 GLN 84 -4.509 7.187 -7.950 59 HG3 GLN 84 HG3 GLN 84 -3.000 6.826 -8.840 60 HE21 GLN 84 HE22 GLN 84 -2.551 4.369 -9.175 61 HE22 GLN 84 HE21 GLN 84 -3.969 3.361 -9.399 62 H TYR 85 H TYR 85 -1.496 8.851 -8.151 63 HA TYR 85 HA TYR 85 -3.792 10.775 -8.175 64 HB2 TYR 85 HB2 TYR 85 -0.881 11.474 -8.745 65 HB3 TYR 85 HB3 TYR 85 -2.252 12.566 -8.808 66 HD1 TYR 85 HD2 TYR 85 -3.371 13.348 -6.793 67 HD2 TYR 85 HD1 TYR 85 0.198 10.947 -6.598 68 HE1 TYR 85 HE2 TYR 85 -2.956 14.187 -4.493 69 HE2 TYR 85 HE1 TYR 85 0.633 11.787 -4.293 70 HH TYR 85 HH TYR 85 -1.485 14.241 -2.748 71 H LYS 86 H LYS 86 -4.617 11.123 -10.233 72 HA LYS 86 HA LYS 86 -3.187 9.961 -12.593 73 HB2 LYS 86 HB2 LYS 86 -4.838 8.335 -11.897 74 HB3 LYS 86 HB3 LYS 86 -6.097 9.571 -11.767 75 HG2 LYS 86 HG2 LYS 86 -6.175 9.896 -14.144 76 HG3 LYS 86 HG3 LYS 86 -4.699 8.951 -14.396 77 HD2 LYS 86 HD2 LYS 86 -5.895 6.923 -13.513 78 HD3 LYS 86 HD3 LYS 86 -7.377 7.898 -13.375 79 HE2 LYS 86 HE2 LYS 86 -7.253 8.375 -15.831 80 HE3 LYS 86 HE3 LYS 86 -5.812 7.359 -15.948 81 HZ1 LYS 86 HZ1 LYS 86 -7.168 5.454 -15.217 82 HZ2 LYS 86 HZ2 LYS 86 -8.504 6.394 -15.101 83 HZ3 LYS 86 HZ3 LYS 86 -7.816 6.118 -16.556 84 H ASN 87 H ASN 87 -3.247 11.201 -14.387 85 HA ASN 87 HA ASN 87 -4.437 13.912 -14.067 86 HB2 ASN 87 HB2 ASN 87 -2.064 13.632 -14.294 87 HB3 ASN 87 HB3 ASN 87 -2.247 12.872 -15.870 88 HD21 ASN 87 HD22 ASN 87 -0.770 15.306 -15.173 89 HD22 ASN 87 HD21 ASN 87 -1.568 16.616 -16.041 90 HA PRO 88 HA PRO 88 -7.642 12.664 -17.087 91 HB2 PRO 88 HB2 PRO 88 -8.174 15.619 -16.749 92 HB3 PRO 88 HB3 PRO 88 -9.342 14.267 -16.840 93 HG2 PRO 88 HG2 PRO 88 -8.698 15.356 -14.435 94 HG3 PRO 88 HG3 PRO 88 -8.822 13.574 -14.608 95 HD2 PRO 88 HD2 PRO 88 -6.334 15.302 -14.597 96 HD3 PRO 88 HD3 PRO 88 -6.651 13.739 -13.782 97 H HIS 89 H HIS 89 -5.266 15.278 -17.425 98 HA HIS 89 HA HIS 89 -5.985 15.843 -20.229 99 HB2 HIS 89 HB2 HIS 89 -3.752 16.988 -18.502 100 HB3 HIS 89 HB3 HIS 89 -4.334 17.634 -20.031 101 HD1 HIS 89 HD1 HIS 89 -6.926 18.674 -19.955 102 HD2 HIS 89 HD2 HIS 89 -5.033 17.717 -16.300 103 HE1 HIS 89 HE1 HIS 89 -8.277 19.854 -18.110 104 HE2 HIS 89 HE2 HIS 89 -7.119 19.277 -15.886 105 H THR 90 H THR 90 -3.633 13.848 -18.605 106 HA THR 90 HA THR 90 -2.132 13.433 -21.177 107 HB THR 90 HB THR 90 -0.127 13.139 -19.866 108 HG1 THR 90 HG1 THR 90 -0.208 13.423 -17.627 109 HG21 THR 90 HG21 THR 90 -1.556 15.582 -18.742 110 HG22 THR 90 HG22 THR 90 0.197 15.331 -18.902 111 HG23 THR 90 HG23 THR 90 -0.801 15.522 -20.356 112 H GLY 91 H GLY 91 -3.799 11.761 -18.574 113 HA2 GLY 91 HA2 GLY 91 -4.286 9.517 -18.333 114 HA3 GLY 91 HA3 GLY 91 -3.418 9.145 -19.828 115 H GLU 92 H GLU 92 -1.539 10.963 -17.527 116 HA GLU 92 HA GLU 92 0.235 8.752 -16.891 117 HB2 GLU 92 HB2 GLU 92 0.078 11.670 -16.055 118 HB3 GLU 92 HB3 GLU 92 1.339 10.538 -15.525 119 HG2 GLU 92 HG2 GLU 92 2.187 10.291 -17.734 120 HG3 GLU 92 HG3 GLU 92 0.907 11.303 -18.421 121 H VAL 93 H VAL 93 0.399 7.914 -14.913 122 HA VAL 93 HA VAL 93 -1.300 8.791 -12.644 123 HB VAL 93 HB VAL 93 -0.569 5.962 -13.349 124 HG11 VAL 93 HG11 VAL 93 -2.547 7.027 -11.256 125 HG12 VAL 93 HG12 VAL 93 -2.373 5.322 -11.694 126 HG13 VAL 93 HG13 VAL 93 -1.042 6.155 -10.913 127 HG21 VAL 93 HG21 VAL 93 -3.000 5.647 -13.942 128 HG22 VAL 93 HG22 VAL 93 -3.214 7.406 -13.773 129 HG23 VAL 93 HG23 VAL 93 -2.153 6.745 -15.032 130 H ILE 94 H ILE 94 -0.407 8.354 -10.634 131 HA ILE 94 HA ILE 94 2.414 7.588 -10.294 132 HB ILE 94 HB ILE 94 1.884 9.851 -8.578 133 HG12 ILE 94 HG12 ILE 94 1.865 10.728 -11.490 134 HG13 ILE 94 HG13 ILE 94 0.463 10.740 -10.412 135 HG21 ILE 94 HG21 ILE 94 4.054 10.548 -9.177 136 HG22 ILE 94 HG22 ILE 94 4.097 8.793 -9.188 137 HG23 ILE 94 HG23 ILE 94 3.995 9.679 -10.741 138 HD11 ILE 94 HD11 ILE 94 3.009 12.349 -10.055 139 HD12 ILE 94 HD12 ILE 94 1.379 12.952 -10.389 140 HD13 ILE 94 HD13 ILE 94 1.737 12.192 -8.821 141 H GLU 95 H GLU 95 2.920 7.508 -7.976 142 HA GLU 95 HA GLU 95 0.764 7.229 -5.991 143 HB2 GLU 95 HB2 GLU 95 2.598 5.039 -6.962 144 HB3 GLU 95 HB3 GLU 95 2.006 5.046 -5.278 145 HG2 GLU 95 HG2 GLU 95 -0.288 4.973 -5.988 146 HG3 GLU 95 HG3 GLU 95 0.171 5.106 -7.692 147 H THR 96 H THR 96 1.478 8.419 -4.306 148 HA THR 96 HA THR 96 4.299 8.220 -3.399 149 HB THR 96 HB THR 96 4.944 10.331 -3.734 150 HG1 THR 96 HG1 THR 96 3.640 12.132 -3.472 151 HG21 THR 96 HG21 THR 96 4.049 11.554 -5.669 152 HG22 THR 96 HG22 THR 96 4.185 9.843 -6.071 153 HG23 THR 96 HG23 THR 96 2.593 10.527 -5.662 154 H LYS 97 H LYS 97 4.584 8.869 -1.162 155 HA LYS 97 HA LYS 97 2.057 8.796 0.438 156 HB2 LYS 97 HB2 LYS 97 4.938 8.644 1.299 157 HB3 LYS 97 HB3 LYS 97 3.542 8.278 2.315 158 HG2 LYS 97 HG2 LYS 97 3.028 6.290 1.041 159 HG3 LYS 97 HG3 LYS 97 4.220 6.683 -0.196 160 HD2 LYS 97 HD2 LYS 97 5.988 6.561 1.697 161 HD3 LYS 97 HD3 LYS 97 4.725 5.775 2.643 162 HE2 LYS 97 HE2 LYS 97 6.055 4.055 1.667 163 HE3 LYS 97 HE3 LYS 97 4.518 4.046 0.802 164 HZ1 LYS 97 HZ1 LYS 97 7.029 5.379 -0.181 165 HZ2 LYS 97 HZ2 LYS 97 6.487 3.916 -0.694 166 HZ3 LYS 97 HZ3 LYS 97 5.637 5.283 -1.016 167 H GLY 98 H GLY 98 3.391 11.195 -1.045 168 HA2 GLY 98 HA2 GLY 98 2.753 13.503 -0.338 169 HA3 GLY 98 HA3 GLY 98 3.593 13.172 1.182 170 H GLY 99 H GLY 99 4.716 15.131 0.542 171 HA2 GLY 99 HA2 GLY 99 6.742 16.065 0.234 172 HA3 GLY 99 HA3 GLY 99 7.346 14.495 -0.260 173 H ASN 100 H ASN 100 8.429 16.692 -1.208 174 HA ASN 100 HA ASN 100 7.816 17.587 -3.824 175 HB2 ASN 100 HB2 ASN 100 9.488 18.687 -2.520 176 HB3 ASN 100 HB3 ASN 100 10.272 17.187 -2.118 177 HD21 ASN 100 HD22 ASN 100 12.113 18.612 -2.602 178 HD22 ASN 100 HD21 ASN 100 12.795 18.273 -4.176 179 H HIS 101 H HIS 101 7.124 16.123 -5.309 180 HA HIS 101 HA HIS 101 9.013 13.994 -6.167 181 HB2 HIS 101 HB2 HIS 101 7.088 13.057 -4.824 182 HB3 HIS 101 HB3 HIS 101 5.985 13.648 -6.053 183 HD1 HIS 101 HD1 HIS 101 8.934 11.086 -5.683 184 HD2 HIS 101 HD2 HIS 101 5.676 12.100 -8.199 185 HE1 HIS 101 HE1 HIS 101 8.725 9.204 -7.401 186 HE2 HIS 101 HE2 HIS 101 6.768 9.816 -8.946 187 H LYS 102 H LYS 102 9.386 13.894 -8.341 188 HA LYS 102 HA LYS 102 9.209 16.263 -9.754 189 HB2 LYS 102 HB2 LYS 102 10.833 14.413 -10.016 190 HB3 LYS 102 HB3 LYS 102 9.677 13.553 -11.053 191 HG2 LYS 102 HG2 LYS 102 9.726 15.389 -12.670 192 HG3 LYS 102 HG3 LYS 102 10.574 16.422 -11.510 193 HD2 LYS 102 HD2 LYS 102 12.411 14.486 -11.581 194 HD3 LYS 102 HD3 LYS 102 11.664 14.131 -13.159 195 HE2 LYS 102 HE2 LYS 102 12.051 16.440 -13.884 196 HE3 LYS 102 HE3 LYS 102 12.489 16.901 -12.228 197 HZ1 LYS 102 HZ1 LYS 102 14.458 15.514 -12.377 198 HZ2 LYS 102 HZ2 LYS 102 14.090 15.021 -13.903 199 HZ3 LYS 102 HZ3 LYS 102 14.486 16.588 -13.613 200 H THR 103 H THR 103 7.371 13.421 -11.066 201 HA THR 103 HA THR 103 5.915 14.965 -12.924 202 HB THR 103 HB THR 103 4.911 12.434 -11.593 203 HG1 THR 103 HG1 THR 103 6.007 11.430 -13.333 204 HG21 THR 103 HG21 THR 103 3.155 13.379 -12.888 205 HG22 THR 103 HG22 THR 103 4.265 13.902 -14.166 206 HG23 THR 103 HG23 THR 103 3.870 12.171 -13.959 207 H LEU 104 H LEU 104 5.029 14.178 -9.586 208 HA LEU 104 HA LEU 104 2.429 15.304 -9.547 209 HB2 LEU 104 HB2 LEU 104 3.446 13.769 -7.841 210 HB3 LEU 104 HB3 LEU 104 4.506 15.078 -7.323 211 HG LEU 104 HG LEU 104 2.548 16.379 -6.547 212 HD11 LEU 104 HD11 LEU 104 0.971 13.873 -7.316 213 HD12 LEU 104 HD12 LEU 104 0.343 15.220 -6.357 214 HD13 LEU 104 HD13 LEU 104 0.795 15.476 -8.052 215 HD21 LEU 104 HD21 LEU 104 2.020 14.963 -4.618 216 HD22 LEU 104 HD22 LEU 104 2.614 13.530 -5.468 217 HD23 LEU 104 HD23 LEU 104 3.735 14.838 -5.011 218 H LYS 105 H LYS 105 5.626 16.861 -9.102 219 HA LYS 105 HA LYS 105 4.543 19.464 -8.430 220 HB2 LYS 105 HB2 LYS 105 6.807 18.795 -7.755 221 HB3 LYS 105 HB3 LYS 105 7.285 18.588 -9.431 222 HG2 LYS 105 HG2 LYS 105 8.212 20.651 -8.606 223 HG3 LYS 105 HG3 LYS 105 7.048 20.984 -9.869 224 HD2 LYS 105 HD2 LYS 105 6.717 22.634 -8.222 225 HD3 LYS 105 HD3 LYS 105 5.342 21.544 -8.044 226 HE2 LYS 105 HE2 LYS 105 6.553 20.409 -6.131 227 HE3 LYS 105 HE3 LYS 105 7.894 21.539 -6.359 228 HZ1 LYS 105 HZ1 LYS 105 5.137 22.195 -5.432 229 HZ2 LYS 105 HZ2 LYS 105 6.504 22.389 -4.618 230 HZ3 LYS 105 HZ3 LYS 105 6.208 23.374 -5.906 231 H GLU 106 H GLU 106 5.334 17.889 -11.546 232 HA GLU 106 HA GLU 106 5.177 20.329 -13.055 233 HB2 GLU 106 HB2 GLU 106 4.478 17.571 -14.088 234 HB3 GLU 106 HB3 GLU 106 5.017 18.990 -15.017 235 HG2 GLU 106 HG2 GLU 106 7.180 18.782 -13.581 236 HG3 GLU 106 HG3 GLU 106 6.496 17.204 -13.131 237 H TRP 107 H TRP 107 2.879 17.780 -12.255 238 HA TRP 107 HA TRP 107 0.620 18.915 -13.584 239 HB2 TRP 107 HB2 TRP 107 0.637 17.272 -11.037 240 HB3 TRP 107 HB3 TRP 107 -0.768 17.608 -12.045 241 HD1 TRP 107 HD1 TRP 107 1.937 16.725 -14.393 242 HE1 TRP 107 HE1 TRP 107 1.721 14.254 -15.112 243 HE3 TRP 107 HE3 TRP 107 -1.531 15.140 -10.966 244 HZ2 TRP 107 HZ2 TRP 107 0.708 11.850 -13.942 245 HZ3 TRP 107 HZ3 TRP 107 -2.229 12.765 -10.944 246 HH2 TRP 107 HH2 TRP 107 -1.054 11.091 -12.376 247 H LYS 108 H LYS 108 1.862 19.631 -10.312 248 HA LYS 108 HA LYS 108 -0.246 21.481 -9.589 249 HB2 LYS 108 HB2 LYS 108 2.671 21.305 -8.690 250 HB3 LYS 108 HB3 LYS 108 1.498 22.451 -8.039 251 HG2 LYS 108 HG2 LYS 108 0.010 20.534 -7.423 252 HG3 LYS 108 HG3 LYS 108 1.288 19.422 -7.914 253 HD2 LYS 108 HD2 LYS 108 2.842 20.561 -6.290 254 HD3 LYS 108 HD3 LYS 108 1.492 21.599 -5.780 255 HE2 LYS 108 HE2 LYS 108 0.201 19.421 -5.268 256 HE3 LYS 108 HE3 LYS 108 1.712 18.562 -5.573 257 HZ1 LYS 108 HZ1 LYS 108 1.143 20.473 -3.387 258 HZ2 LYS 108 HZ2 LYS 108 1.725 18.925 -3.312 259 HZ3 LYS 108 HZ3 LYS 108 2.689 20.179 -3.845 260 H ALA 109 H ALA 109 2.801 21.891 -11.458 261 HA ALA 109 HA ALA 109 2.708 24.748 -11.607 262 HB1 ALA 109 HB1 ALA 109 4.349 24.456 -13.375 263 HB2 ALA 109 HB2 ALA 109 4.709 23.258 -12.100 264 HB3 ALA 109 HB3 ALA 109 3.901 22.769 -13.612 265 H LYS 110 H LYS 110 1.723 22.152 -13.817 266 HA LYS 110 HA LYS 110 0.854 23.810 -15.815 267 HB2 LYS 110 HB2 LYS 110 0.655 20.861 -15.268 268 HB3 LYS 110 HB3 LYS 110 -0.076 21.543 -16.740 269 HG2 LYS 110 HG2 LYS 110 2.128 22.513 -17.379 270 HG3 LYS 110 HG3 LYS 110 2.851 21.831 -15.924 271 HD2 LYS 110 HD2 LYS 110 3.444 20.316 -17.636 272 HD3 LYS 110 HD3 LYS 110 2.137 19.531 -16.759 273 HE2 LYS 110 HE2 LYS 110 1.611 19.172 -19.028 274 HE3 LYS 110 HE3 LYS 110 0.539 20.489 -18.531 275 HZ1 LYS 110 HZ1 LYS 110 3.095 20.841 -20.039 276 HZ2 LYS 110 HZ2 LYS 110 1.606 20.926 -20.694 277 HZ3 LYS 110 HZ3 LYS 110 2.085 22.058 -19.623 278 H TRP 111 H TRP 111 -1.035 22.211 -13.297 279 HA TRP 111 HA TRP 111 -3.534 23.564 -14.277 280 HB2 TRP 111 HB2 TRP 111 -3.341 20.733 -13.214 281 HB3 TRP 111 HB3 TRP 111 -4.809 21.568 -13.703 282 HD1 TRP 111 HD1 TRP 111 -5.069 22.112 -16.373 283 HE1 TRP 111 HE1 TRP 111 -4.148 20.930 -18.454 284 HE3 TRP 111 HE3 TRP 111 -1.438 19.319 -14.152 285 HZ2 TRP 111 HZ2 TRP 111 -2.024 19.063 -19.087 286 HZ3 TRP 111 HZ3 TRP 111 0.125 17.937 -15.530 287 HH2 TRP 111 HH2 TRP 111 -0.190 17.751 -17.969 288 H GLY 112 H GLY 112 -2.120 22.003 -11.324 289 HA2 GLY 112 HA2 GLY 112 -1.941 23.925 -9.591 290 HA3 GLY 112 HA3 GLY 112 -3.690 23.951 -9.640 291 HA PRO 113 HA PRO 113 -1.930 20.691 -6.577 292 HB2 PRO 113 HB2 PRO 113 -2.196 22.068 -4.176 293 HB3 PRO 113 HB3 PRO 113 -0.697 21.938 -5.138 294 HG2 PRO 113 HG2 PRO 113 -2.707 24.195 -5.111 295 HG3 PRO 113 HG3 PRO 113 -0.914 24.283 -5.095 296 HD2 PRO 113 HD2 PRO 113 -2.358 24.663 -7.360 297 HD3 PRO 113 HD3 PRO 113 -0.782 23.808 -7.394 298 H GLU 114 H GLU 114 -4.677 22.958 -6.314 299 HA GLU 114 HA GLU 114 -6.382 21.372 -4.667 300 HB2 GLU 114 HB2 GLU 114 -7.282 23.145 -6.952 301 HB3 GLU 114 HB3 GLU 114 -8.125 22.725 -5.437 302 HG2 GLU 114 HG2 GLU 114 -6.279 23.994 -4.217 303 HG3 GLU 114 HG3 GLU 114 -5.694 24.501 -5.811 304 H ALA 115 H ALA 115 -6.019 21.651 -8.138 305 HA ALA 115 HA ALA 115 -7.953 19.789 -9.036 306 HB1 ALA 115 HB1 ALA 115 -6.606 21.545 -10.358 307 HB2 ALA 115 HB2 ALA 115 -5.272 20.337 -10.401 308 HB3 ALA 115 HB3 ALA 115 -6.827 19.959 -11.148 309 H VAL 116 H VAL 116 -4.460 19.476 -8.613 310 HA VAL 116 HA VAL 116 -4.117 16.856 -9.235 311 HB VAL 116 HB VAL 116 -2.612 18.801 -7.499 312 HG11 VAL 116 HG11 VAL 116 -1.571 16.057 -8.237 313 HG12 VAL 116 HG12 VAL 116 -0.618 17.406 -7.545 314 HG13 VAL 116 HG13 VAL 116 -1.891 16.652 -6.592 315 HG21 VAL 116 HG21 VAL 116 -2.838 19.077 -10.023 316 HG22 VAL 116 HG22 VAL 116 -1.158 18.912 -9.452 317 HG23 VAL 116 HG23 VAL 116 -2.001 17.532 -10.194 318 H GLU 117 H GLU 117 -4.694 18.175 -5.935 319 HA GLU 117 HA GLU 117 -4.736 15.601 -4.587 320 HB2 GLU 117 HB2 GLU 117 -5.806 18.390 -3.978 321 HB3 GLU 117 HB3 GLU 117 -6.115 17.042 -2.892 322 HG2 GLU 117 HG2 GLU 117 -3.268 17.659 -3.725 323 HG3 GLU 117 HG3 GLU 117 -4.076 18.615 -2.484 324 H SER 118 H SER 118 -7.228 17.529 -6.272 325 HA SER 118 HA SER 118 -9.486 16.001 -5.280 326 HB2 SER 118 HB2 SER 118 -9.276 17.697 -7.805 327 HB3 SER 118 HB3 SER 118 -10.762 17.036 -7.122 328 HG SER 118 HG SER 118 -9.004 18.951 -5.984 329 H TRP 119 H TRP 119 -7.317 15.589 -8.039 330 HA TRP 119 HA TRP 119 -8.780 13.372 -9.215 331 HB2 TRP 119 HB2 TRP 119 -5.833 14.002 -9.512 332 HB3 TRP 119 HB3 TRP 119 -6.870 13.075 -10.587 333 HD1 TRP 119 HD1 TRP 119 -9.178 15.500 -10.634 334 HE1 TRP 119 HE1 TRP 119 -8.726 17.495 -12.176 335 HE3 TRP 119 HE3 TRP 119 -4.137 14.873 -11.315 336 HZ2 TRP 119 HZ2 TRP 119 -6.463 18.692 -13.509 337 HZ3 TRP 119 HZ3 TRP 119 -2.867 16.438 -12.775 338 HH2 TRP 119 HH2 TRP 119 -4.012 18.348 -13.862 339 H ALA 120 H ALA 120 -6.954 13.442 -6.271 340 HA ALA 120 HA ALA 120 -5.494 11.059 -6.646 341 HB1 ALA 120 HB1 ALA 120 -5.001 12.959 -5.010 342 HB2 ALA 120 HB2 ALA 120 -6.246 12.240 -3.962 343 HB3 ALA 120 HB3 ALA 120 -4.799 11.301 -4.395 344 H THR 121 H THR 121 -5.524 9.415 -5.188 345 HA THR 121 HA THR 121 -8.068 7.976 -4.416 346 HB THR 121 HB THR 121 -5.731 6.935 -6.040 347 HG1 THR 121 HG1 THR 121 -7.330 6.724 -7.705 348 HG21 THR 121 HG21 THR 121 -7.364 4.950 -6.325 349 HG22 THR 121 HG22 THR 121 -6.683 5.140 -4.708 350 HG23 THR 121 HG23 THR 121 -8.331 5.727 -5.036 351 H LEU 122 H LEU 122 -7.805 6.696 -2.636 352 HA LEU 122 HA LEU 122 -5.268 7.036 -1.103 353 HB2 LEU 122 HB2 LEU 122 -7.224 7.859 0.008 354 HB3 LEU 122 HB3 LEU 122 -8.139 6.408 -0.369 355 HG LEU 122 HG LEU 122 -6.739 5.067 1.159 356 HD11 LEU 122 HD11 LEU 122 -5.167 6.120 2.717 357 HD12 LEU 122 HD12 LEU 122 -4.597 6.307 1.067 358 HD13 LEU 122 HD13 LEU 122 -5.360 7.686 1.892 359 HD21 LEU 122 HD21 LEU 122 -7.524 6.026 3.264 360 HD22 LEU 122 HD22 LEU 122 -7.817 7.589 2.462 361 HD23 LEU 122 HD23 LEU 122 -8.768 6.155 2.009 362 H LEU 123 H LEU 123 -3.920 5.400 -0.944 363 HA LEU 123 HA LEU 123 -4.819 2.589 -1.360 364 HB2 LEU 123 HB2 LEU 123 -2.241 3.970 -2.222 365 HB3 LEU 123 HB3 LEU 123 -2.602 2.254 -2.420 366 HG LEU 123 HG LEU 123 -4.083 4.592 -3.716 367 HD11 LEU 123 HD11 LEU 123 -1.862 4.241 -4.611 368 HD12 LEU 123 HD12 LEU 123 -2.141 2.499 -4.783 369 HD13 LEU 123 HD13 LEU 123 -3.052 3.636 -5.793 370 HD21 LEU 123 HD21 LEU 123 -5.196 2.851 -5.099 371 HD22 LEU 123 HD22 LEU 123 -4.407 1.571 -4.143 372 HD23 LEU 123 HD23 LEU 123 -5.615 2.630 -3.400 373 H GLY 124 H GLY 124 -4.608 1.362 0.250 374 HA2 GLY 124 HA2 GLY 124 -3.194 2.169 2.686 375 HA3 GLY 124 HA3 GLY 124 -4.246 0.771 2.482 376 H HIS 125 H HIS 125 -2.167 0.313 0.031 377 HA HIS 125 HA HIS 125 0.074 -0.935 1.532 378 HB2 HIS 125 HB2 HIS 125 -1.610 -2.478 -0.453 379 HB3 HIS 125 HB3 HIS 125 -0.184 -3.019 0.428 380 HD1 HIS 125 HD1 HIS 125 -0.560 -3.152 3.239 381 HD2 HIS 125 HD2 HIS 125 -3.921 -2.973 0.686 382 HE1 HIS 125 HE1 HIS 125 -2.574 -3.965 4.633 383 HE2 HIS 125 HE2 HIS 125 -4.620 -3.859 3.067 384 H5' DC 1 H5' DC 1 -4.366 29.606 7.505 385 H5'' DC 1 H5'' DC 1 -2.935 30.365 6.805 386 H4' DC 1 H4' DC 1 -2.670 30.277 9.175 387 H3' DC 1 H3' DC 1 -0.840 29.116 7.408 388 H2' DC 1 H2' DC 1 -1.045 26.951 7.965 389 H2'' DC 1 H2'' DC 1 -0.062 27.320 9.369 390 H1' DC 1 H1' DC 1 -1.827 27.549 10.816 391 H41 DC 1 H41 DC 1 -4.777 21.971 8.790 392 H42 DC 1 H42 DC 1 -4.677 21.957 10.557 393 H5 DC 1 H5 DC 1 -3.907 23.872 7.463 394 H6 DC 1 H6 DC 1 -2.894 26.064 7.653 395 HO5' DC 1 H5T DC 1 -3.622 28.491 5.588 396 H5' DG 2 H5' DG 2 0.452 29.369 11.998 397 H5'' DG 2 H5'' DG 2 2.054 30.098 12.063 398 H4' DG 2 H4' DG 2 1.999 28.554 13.816 399 H3' DG 2 H3' DG 2 3.897 28.182 11.772 400 H2' DG 2 H2' DG 2 2.849 26.316 10.860 401 H2'' DG 2 H2'' DG 2 3.858 25.465 12.044 402 H1' DG 2 H1' DG 2 2.122 25.408 13.680 403 H8 DG 2 H8 DG 2 0.956 25.549 10.035 404 H1 DG 2 H1 DG 2 -1.226 20.505 13.410 405 H21 DG 2 H21 DG 2 0.603 21.940 15.940 406 H22 DG 2 H22 DG 2 -0.415 20.591 15.420 407 H5' DC 3 H5' DC 3 4.187 25.649 15.752 408 H5'' DC 3 H5'' DC 3 5.863 25.563 16.287 409 H4' DC 3 H4' DC 3 4.727 23.547 16.908 410 H3' DC 3 H3' DC 3 7.001 23.459 15.093 411 H2' DC 3 H2' DC 3 6.177 21.990 13.600 412 H2'' DC 3 H2'' DC 3 6.079 20.764 14.873 413 H1' DC 3 H1' DC 3 3.878 21.108 15.313 414 H41 DC 3 H41 DC 3 1.903 21.743 9.018 415 H42 DC 3 H42 DC 3 1.203 20.283 9.734 416 H5 DC 3 H5 DC 3 3.529 23.108 10.262 417 H6 DC 3 H6 DC 3 4.583 23.375 12.506 418 H5' DA 4 H5' DA 4 6.028 19.673 17.358 419 H5'' DA 4 H5'' DA 4 7.423 18.922 18.131 420 H4' DA 4 H4' DA 4 6.140 17.178 17.218 421 H3' DA 4 H3' DA 4 8.775 17.617 16.152 422 H2' DA 4 H2' DA 4 8.034 17.990 14.010 423 H2'' DA 4 H2'' DA 4 8.004 16.230 13.899 424 H1' DA 4 H1' DA 4 5.691 16.092 14.537 425 H8 DA 4 H8 DA 4 6.716 19.417 12.955 426 H61 DA 4 H61 DA 4 2.513 17.922 8.562 427 H62 DA 4 H62 DA 4 3.560 19.214 9.131 428 H2 DA 4 H2 DA 4 2.808 14.584 11.311 429 H5' DT 5 H5' DT 5 6.849 13.398 15.414 430 H5'' DT 5 H5'' DT 5 8.048 12.164 15.810 431 H4' DT 5 H4' DT 5 6.823 11.381 13.940 432 H3' DT 5 H3' DT 5 9.648 11.827 13.689 433 H2' DT 5 H2' DT 5 9.489 13.358 12.004 434 H2'' DT 5 H2'' DT 5 9.263 11.954 10.952 435 H1' DT 5 H1' DT 5 6.902 12.049 11.062 436 H3 DT 5 H3 DT 5 5.448 15.246 8.201 437 H71 DT 5 H71 DT 5 9.293 17.790 9.680 438 H72 DT 5 H72 DT 5 8.031 18.489 10.691 439 H73 DT 5 H73 DT 5 9.274 17.442 11.421 440 H6 DT 5 H6 DT 5 8.645 15.289 11.823 441 H5' DA 6 H5' DA 6 7.237 9.056 10.835 442 H5'' DA 6 H5'' DA 6 8.124 7.537 10.662 443 H4' DA 6 H4' DA 6 6.874 7.834 8.712 444 H3' DA 6 H3' DA 6 9.665 7.582 8.529 445 H2' DA 6 H2' DA 6 10.142 9.715 7.921 446 H2'' DA 6 H2'' DA 6 9.760 9.172 6.299 447 H1' DA 6 H1' DA 6 7.597 10.025 6.313 448 H8 DA 6 H8 DA 6 9.993 11.620 8.852 449 H61 DA 6 H61 DA 6 8.303 16.945 6.019 450 H62 DA 6 H62 DA 6 9.434 16.280 7.197 451 H2 DA 6 H2 DA 6 5.935 13.742 4.330 452 H5' DT 7 H5' DT 7 6.947 7.724 5.031 453 H5'' DT 7 H5'' DT 7 7.229 6.579 3.722 454 H4' DT 7 H4' DT 7 6.339 8.701 2.916 455 H3' DT 7 H3' DT 7 8.654 7.463 1.839 456 H2' DT 7 H2' DT 7 10.078 9.177 2.560 457 H2'' DT 7 H2'' DT 7 9.584 9.917 1.018 458 H1' DT 7 H1' DT 7 7.733 11.065 2.039 459 H3 DT 7 H3 DT 7 9.794 14.883 3.263 460 H71 DT 7 H71 DT 7 13.116 12.145 5.428 461 H72 DT 7 H72 DT 7 11.978 12.361 6.763 462 H73 DT 7 H73 DT 7 12.126 10.770 5.983 463 H6 DT 7 H6 DT 7 10.427 10.261 4.460 464 H5' DA 8 H5' DA 8 7.376 10.689 -1.453 465 H5'' DA 8 H5'' DA 8 7.496 9.811 -2.976 466 H4' DA 8 H4' DA 8 8.691 11.785 -3.343 467 H3' DA 8 H3' DA 8 10.428 9.415 -3.033 468 H2' DA 8 H2' DA 8 11.871 10.444 -1.638 469 H2'' DA 8 H2'' DA 8 12.362 11.439 -3.036 470 H1' DA 8 H1' DA 8 10.908 13.176 -2.527 471 H8 DA 8 H8 DA 8 11.594 11.012 0.686 472 H61 DA 8 H61 DA 8 13.350 16.619 2.941 473 H62 DA 8 H62 DA 8 13.147 14.950 3.465 474 H2 DA 8 H2 DA 8 12.129 17.173 -1.066 475 H5' DT 9 H5' DT 9 10.808 12.913 -5.981 476 H5'' DT 9 H5'' DT 9 11.399 12.282 -7.529 477 H4' DT 9 H4' DT 9 11.906 14.616 -7.429 478 H3' DT 9 H3' DT 9 13.920 12.696 -7.766 479 H2' DT 9 H2' DT 9 15.012 12.978 -5.807 480 H2'' DT 9 H2'' DT 9 15.750 14.384 -6.557 481 H1' DT 9 H1' DT 9 14.275 15.909 -5.650 482 H3 DT 9 H3 DT 9 15.273 16.450 -1.268 483 H71 DT 9 H71 DT 9 14.615 11.115 -2.222 484 H72 DT 9 H72 DT 9 15.942 11.670 -1.177 485 H73 DT 9 H73 DT 9 14.280 11.773 -0.600 486 H6 DT 9 H6 DT 9 14.130 12.594 -3.939 487 H5' DG 10 H5' DG 10 14.626 17.248 -8.160 488 H5'' DG 10 H5'' DG 10 15.404 17.573 -9.708 489 H4' DG 10 H4' DG 10 16.015 19.323 -8.253 490 H3' DG 10 H3' DG 10 17.989 17.770 -9.474 491 H2' DG 10 H2' DG 10 18.541 16.566 -7.561 492 H2'' DG 10 H2'' DG 10 19.680 17.895 -7.329 493 H1' DG 10 H1' DG 10 18.216 19.083 -5.884 494 H8 DG 10 H8 DG 10 17.645 15.304 -6.033 495 H1 DG 10 H1 DG 10 19.026 17.602 -0.175 496 H21 DG 10 H21 DG 10 19.297 20.582 -1.852 497 H22 DG 10 H22 DG 10 19.496 19.692 -0.339 498 H5' DC 11 H5' DC 11 19.234 21.662 -7.043 499 H5'' DC 11 H5'' DC 11 20.243 22.603 -8.137 500 H4' DC 11 H4' DC 11 20.842 23.164 -5.912 501 H3' DC 11 H3' DC 11 22.749 22.264 -7.732 502 H2' DC 11 H2' DC 11 23.132 20.181 -6.822 503 H2'' DC 11 H2'' DC 11 24.235 21.039 -5.753 504 H1' DC 11 H1' DC 11 22.716 21.237 -4.023 505 H41 DC 11 H41 DC 11 21.003 14.848 -3.914 506 H42 DC 11 H42 DC 11 21.379 15.381 -2.273 507 H5 DC 11 H5 DC 11 21.232 16.339 -5.818 508 H6 DC 11 H6 DC 11 21.692 18.697 -6.452 509 H5' DG 12 H5' DG 12 24.820 23.516 -3.775 510 H5'' DG 12 H5'' DG 12 26.388 24.289 -4.023 511 H4' DG 12 H4' DG 12 26.643 22.582 -2.372 512 H3' DG 12 H3' DG 12 27.856 21.881 -5.035 513 HO3' DG 12 H3T DG 12 29.780 22.196 -3.781 514 H2' DG 12 H2' DG 12 28.023 19.698 -4.529 515 H2'' DG 12 H2'' DG 12 28.655 20.027 -2.896 516 H1' DG 12 H1' DG 12 26.592 19.952 -1.913 517 H8 DG 12 H8 DG 12 25.750 19.085 -5.559 518 H1 DG 12 H1 DG 12 24.629 14.461 -1.203 519 H21 DG 12 H21 DG 12 26.009 16.771 0.949 520 H22 DG 12 H22 DG 12 25.431 15.117 0.740 521 H5' DC 13 H5' DC 13 25.331 7.524 3.409 522 H5'' DC 13 H5'' DC 13 24.756 7.500 5.072 523 H4' DC 13 H4' DC 13 26.108 9.454 4.719 524 H3' DC 13 H3' DC 13 23.516 9.548 5.719 525 H2' DC 13 H2' DC 13 22.516 10.522 3.855 526 H2'' DC 13 H2'' DC 13 23.040 12.032 4.631 527 H1' DC 13 H1' DC 13 25.040 12.136 3.424 528 H41 DC 13 H41 DC 13 22.103 11.845 -2.493 529 H42 DC 13 H42 DC 13 23.280 13.160 -2.508 530 H5 DC 13 H5 DC 13 21.712 10.472 -0.497 531 H6 DC 13 H6 DC 13 22.498 10.065 1.773 532 HO5' DC 13 H5T DC 13 23.087 6.907 3.528 533 H5' DG 14 H5' DG 14 26.097 13.782 6.085 534 H5'' DG 14 H5'' DG 14 25.890 14.113 7.801 535 H4' DG 14 H4' DG 14 26.117 16.198 6.819 536 H3' DG 14 H3' DG 14 23.748 15.660 8.172 537 H2' DG 14 H2' DG 14 22.400 15.387 6.281 538 H2'' DG 14 H2'' DG 14 22.204 17.120 6.431 539 H1' DG 14 H1' DG 14 23.805 17.617 4.825 540 H8 DG 14 H8 DG 14 22.363 14.085 4.594 541 H1 DG 14 H1 DG 14 22.240 17.449 -0.900 542 H21 DG 14 H21 DG 14 23.782 19.849 1.007 543 H22 DG 14 H22 DG 14 23.093 19.404 -0.559 544 H5' DC 15 H5' DC 15 24.132 19.852 6.390 545 H5'' DC 15 H5'' DC 15 23.452 21.195 7.312 546 H4' DC 15 H4' DC 15 22.889 21.371 4.953 547 H3' DC 15 H3' DC 15 20.643 20.929 6.878 548 H2' DC 15 H2' DC 15 19.277 20.082 5.317 549 H2'' DC 15 H2'' DC 15 19.578 21.440 4.204 550 H1' DC 15 H1' DC 15 21.263 20.414 3.091 551 H41 DC 15 H41 DC 15 18.554 14.420 2.605 552 H42 DC 15 H42 DC 15 18.487 15.253 1.041 553 H5 DC 15 H5 DC 15 19.328 15.603 4.626 554 H6 DC 15 H6 DC 15 20.340 17.727 5.401 555 H5' DA 16 H5' DA 16 20.602 23.602 3.366 556 H5'' DA 16 H5'' DA 16 20.044 25.244 3.675 557 H4' DA 16 H4' DA 16 19.408 24.691 1.482 558 H3' DA 16 H3' DA 16 17.430 25.364 3.387 559 H2' DA 16 H2' DA 16 16.576 23.223 3.527 560 H2'' DA 16 H2'' DA 16 15.548 23.775 2.206 561 H1' DA 16 H1' DA 16 17.008 22.889 0.520 562 H8 DA 16 H8 DA 16 17.274 21.184 3.922 563 H61 DA 16 H61 DA 16 15.619 16.019 0.793 564 H62 DA 16 H62 DA 16 16.187 16.589 2.355 565 H2 DA 16 H2 DA 16 15.296 19.363 -1.925 566 H5' DT 17 H5' DT 17 15.936 24.877 -0.937 567 H5'' DT 17 H5'' DT 17 14.898 26.215 -1.434 568 H4' DT 17 H4' DT 17 14.035 24.214 -2.384 569 H3' DT 17 H3' DT 17 12.424 25.775 -0.594 570 H2' DT 17 H2' DT 17 12.153 24.092 0.943 571 H2'' DT 17 H2'' DT 17 10.885 23.506 -0.145 572 H1' DT 17 H1' DT 17 12.387 22.081 -1.344 573 H3 DT 17 H3 DT 17 12.789 18.244 1.028 574 H71 DT 17 H71 DT 17 12.856 21.046 4.974 575 H72 DT 17 H72 DT 17 14.584 20.837 4.656 576 H73 DT 17 H73 DT 17 13.810 22.416 4.366 577 H6 DT 17 H6 DT 17 13.373 22.877 2.179 578 H5' DA 18 H5' DA 18 10.477 22.488 -2.857 579 H5'' DA 18 H5'' DA 18 9.155 23.078 -3.866 580 H4' DA 18 H4' DA 18 8.421 21.000 -3.204 581 H3' DA 18 H3' DA 18 7.022 23.175 -1.819 582 H2' DA 18 H2' DA 18 7.483 22.360 0.235 583 H2'' DA 18 H2'' DA 18 6.161 21.219 -0.114 584 H1' DA 18 H1' DA 18 7.645 19.559 -0.883 585 H8 DA 18 H8 DA 18 9.048 21.924 1.796 586 H61 DA 18 H61 DA 18 10.838 16.481 4.433 587 H62 DA 18 H62 DA 18 10.773 18.212 4.769 588 H2 DA 18 H2 DA 18 9.358 15.636 0.526 589 H5' DT 19 H5' DT 19 5.710 18.913 -2.346 590 H5'' DT 19 H5'' DT 19 4.175 18.896 -3.215 591 H4' DT 19 H4' DT 19 3.868 17.115 -1.737 592 H3' DT 19 H3' DT 19 2.350 19.460 -1.054 593 H2' DT 19 H2' DT 19 3.678 19.994 0.742 594 H2'' DT 19 H2'' DT 19 2.498 18.942 1.574 595 H1' DT 19 H1' DT 19 3.856 16.961 1.156 596 H3 DT 19 H3 DT 19 6.862 16.487 4.452 597 H71 DT 19 H71 DT 19 7.739 21.201 4.291 598 H72 DT 19 H72 DT 19 6.465 21.789 3.204 599 H73 DT 19 H73 DT 19 6.083 21.322 4.880 600 H6 DT 19 H6 DT 19 5.366 20.241 1.835 601 H5' DA 20 H5' DA 20 -1.495 15.775 -0.151 602 H5'' DA 20 H5'' DA 20 -0.156 16.485 0.736 603 H4' DA 20 H4' DA 20 -0.159 13.551 -0.065 604 H3' DA 20 H3' DA 20 -2.031 14.767 1.595 605 H2' DA 20 H2' DA 20 -0.577 15.698 3.091 606 H2'' DA 20 H2'' DA 20 -0.728 14.143 3.913 607 H1' DA 20 H1' DA 20 1.276 13.294 3.044 608 H8 DA 20 H8 DA 20 1.519 17.089 2.236 609 H61 DA 20 H61 DA 20 5.128 17.443 7.278 610 H62 DA 20 H62 DA 20 4.339 18.398 6.021 611 H2 DA 20 H2 DA 20 3.943 13.313 6.844 612 H5' DT 21 H5' DT 21 -0.496 11.270 3.899 613 H5'' DT 21 H5'' DT 21 -1.858 10.156 4.049 614 H4' DT 21 H4' DT 21 -0.703 9.943 6.065 615 H3' DT 21 H3' DT 21 -3.316 10.887 6.151 616 H2' DT 21 H2' DT 21 -2.855 13.089 6.667 617 H2'' DT 21 H2'' DT 21 -2.834 12.453 8.333 618 H1' DT 21 H1' DT 21 -0.540 12.183 8.389 619 H3 DT 21 H3 DT 21 1.944 15.913 8.702 620 H71 DT 21 H71 DT 21 -0.315 17.582 4.761 621 H72 DT 21 H72 DT 21 -1.904 16.785 4.917 622 H73 DT 21 H73 DT 21 -1.432 18.086 6.034 623 H6 DT 21 H6 DT 21 -1.744 14.676 5.832 624 H5' DG 22 H5' DG 22 -1.328 10.051 10.260 625 H5'' DG 22 H5'' DG 22 -2.451 9.223 11.359 626 H4' DG 22 H4' DG 22 -1.311 10.834 12.642 627 H3' DG 22 H3' DG 22 -4.148 11.199 12.275 628 H2' DG 22 H2' DG 22 -3.868 13.246 11.221 629 H2'' DG 22 H2'' DG 22 -3.781 13.858 12.894 630 H1' DG 22 H1' DG 22 -1.383 13.614 12.939 631 H8 DG 22 H8 DG 22 -2.916 14.474 9.529 632 H1 DG 22 H1 DG 22 1.180 18.812 11.990 633 H21 DG 22 H21 DG 22 1.342 16.548 14.569 634 H22 DG 22 H22 DG 22 1.816 18.132 13.948 635 H5' DC 23 H5' DC 23 -1.556 12.770 15.916 636 H5'' DC 23 H5'' DC 23 -2.466 12.291 17.349 637 H4' DC 23 H4' DC 23 -1.081 14.099 17.964 638 H3' DC 23 H3' DC 23 -3.847 14.238 18.298 639 H2' DC 23 H2' DC 23 -4.307 15.794 16.675 640 H2'' DC 23 H2'' DC 23 -3.862 16.977 17.889 641 H1' DC 23 H1' DC 23 -1.687 17.231 17.134 642 H41 DC 23 H41 DC 23 -3.681 18.262 10.902 643 H42 DC 23 H42 DC 23 -2.641 19.598 11.410 644 H5 DC 23 H5 DC 23 -4.228 16.422 12.409 645 H6 DC 23 H6 DC 23 -3.746 15.499 14.663 646 H5' DG 24 H5' DG 24 -1.944 17.965 20.261 647 H5'' DG 24 H5'' DG 24 -2.782 18.454 21.738 648 H4' DG 24 H4' DG 24 -2.561 20.372 20.360 649 H3' DG 24 H3' DG 24 -5.374 19.295 20.380 650 HO3' DG 24 H3T DG 24 -5.664 21.210 21.662 651 H2' DG 24 H2' DG 24 -5.977 20.562 18.623 652 H2'' DG 24 H2'' DG 24 -5.127 22.003 19.237 653 H1' DG 24 H1' DG 24 -3.195 21.539 18.105 654 H8 DG 24 H8 DG 24 -5.461 18.692 16.885 655 H1 DG 24 H1 DG 24 -3.840 23.163 12.514 656 H21 DG 24 H21 DG 24 -2.169 24.524 15.217 657 H22 DG 24 H22 DG 24 -2.641 24.722 13.528 Start of MODEL 14 1 H ALA 79 H1 ALA 79 -1.935 6.553 9.023 2 HA ALA 79 HA ALA 79 0.980 6.303 9.500 3 HB1 ALA 79 HB1 ALA 79 -1.085 4.526 8.122 4 HB2 ALA 79 HB2 ALA 79 0.677 4.222 8.123 5 HB3 ALA 79 HB3 ALA 79 -0.245 4.156 9.639 6 H ARG 80 H ARG 80 2.302 6.333 7.655 7 HA ARG 80 HA ARG 80 1.753 8.361 5.709 8 HB2 ARG 80 HB2 ARG 80 4.005 6.360 6.002 9 HB3 ARG 80 HB3 ARG 80 3.982 7.599 4.740 10 HG2 ARG 80 HG2 ARG 80 3.665 8.232 7.685 11 HG3 ARG 80 HG3 ARG 80 5.228 8.243 6.854 12 HD2 ARG 80 HD2 ARG 80 4.852 10.314 6.038 13 HD3 ARG 80 HD3 ARG 80 3.311 9.817 5.358 14 HE ARG 80 HE ARG 80 2.190 10.811 7.124 15 HH11 ARG 80 HH12 ARG 80 5.588 10.537 8.109 16 HH12 ARG 80 HH11 ARG 80 5.341 11.793 9.299 17 HH21 ARG 80 HH21 ARG 80 2.075 12.283 8.924 18 HH22 ARG 80 HH22 ARG 80 3.563 12.592 9.760 19 H LYS 81 H LYS 81 -0.360 7.193 5.146 20 HA LYS 81 HA LYS 81 -0.668 5.090 3.311 21 HB2 LYS 81 HB2 LYS 81 -2.195 7.677 3.880 22 HB3 LYS 81 HB3 LYS 81 -2.795 6.440 2.779 23 HG2 LYS 81 HG2 LYS 81 -3.288 4.933 4.445 24 HG3 LYS 81 HG3 LYS 81 -2.054 5.549 5.566 25 HD2 LYS 81 HD2 LYS 81 -3.341 7.487 6.115 26 HD3 LYS 81 HD3 LYS 81 -4.552 7.146 4.864 27 HE2 LYS 81 HE2 LYS 81 -5.317 5.153 5.982 28 HE3 LYS 81 HE3 LYS 81 -3.955 5.182 7.116 29 HZ1 LYS 81 HZ1 LYS 81 -6.006 6.061 8.130 30 HZ2 LYS 81 HZ2 LYS 81 -4.826 7.197 8.111 31 HZ3 LYS 81 HZ3 LYS 81 -6.067 7.283 7.037 32 H VAL 82 H VAL 82 -0.525 4.947 1.308 33 HA VAL 82 HA VAL 82 0.734 6.929 -0.456 34 HB VAL 82 HB VAL 82 -0.545 4.223 -1.069 35 HG11 VAL 82 HG11 VAL 82 0.999 6.144 -2.858 36 HG12 VAL 82 HG12 VAL 82 0.863 4.404 -3.195 37 HG13 VAL 82 HG13 VAL 82 -0.600 5.380 -3.104 38 HG21 VAL 82 HG21 VAL 82 2.384 4.968 -0.821 39 HG22 VAL 82 HG22 VAL 82 1.420 4.106 0.417 40 HG23 VAL 82 HG23 VAL 82 1.713 3.364 -1.168 41 H LYS 83 H LYS 83 -0.297 8.364 -1.735 42 HA LYS 83 HA LYS 83 -3.084 7.787 -2.507 43 HB2 LYS 83 HB2 LYS 83 -2.107 10.183 -1.325 44 HB3 LYS 83 HB3 LYS 83 -2.416 10.551 -3.053 45 HG2 LYS 83 HG2 LYS 83 -4.669 9.936 -2.895 46 HG3 LYS 83 HG3 LYS 83 -4.436 9.053 -1.386 47 HD2 LYS 83 HD2 LYS 83 -5.553 11.271 -1.129 48 HD3 LYS 83 HD3 LYS 83 -4.093 10.906 -0.135 49 HE2 LYS 83 HE2 LYS 83 -2.739 12.338 -1.604 50 HE3 LYS 83 HE3 LYS 83 -4.188 12.783 -2.518 51 HZ1 LYS 83 HZ1 LYS 83 -3.706 14.416 -0.895 52 HZ2 LYS 83 HZ2 LYS 83 -5.079 13.679 -0.399 53 HZ3 LYS 83 HZ3 LYS 83 -3.680 13.300 0.374 54 H GLN 84 H GLN 84 -3.426 7.346 -4.515 55 HA GLN 84 HA GLN 84 -1.286 7.543 -6.499 56 HB2 GLN 84 HB2 GLN 84 -2.260 5.561 -7.032 57 HB3 GLN 84 HB3 GLN 84 -3.759 5.925 -6.161 58 HG2 GLN 84 HG2 GLN 84 -4.586 7.180 -8.042 59 HG3 GLN 84 HG3 GLN 84 -3.063 6.929 -8.946 60 HE21 GLN 84 HE22 GLN 84 -2.453 4.519 -9.327 61 HE22 GLN 84 HE21 GLN 84 -3.806 3.437 -9.611 62 H TYR 85 H TYR 85 -1.567 8.888 -8.219 63 HA TYR 85 HA TYR 85 -3.874 10.798 -8.227 64 HB2 TYR 85 HB2 TYR 85 -0.982 11.575 -8.777 65 HB3 TYR 85 HB3 TYR 85 -2.387 12.631 -8.806 66 HD1 TYR 85 HD1 TYR 85 -3.453 13.410 -6.780 67 HD2 TYR 85 HD2 TYR 85 0.071 10.940 -6.644 68 HE1 TYR 85 HE1 TYR 85 -3.047 14.157 -4.438 69 HE2 TYR 85 HE2 TYR 85 0.485 11.651 -4.302 70 HH TYR 85 HH TYR 85 -0.168 13.044 -2.596 71 H LYS 86 H LYS 86 -4.719 11.110 -10.286 72 HA LYS 86 HA LYS 86 -3.259 9.977 -12.641 73 HB2 LYS 86 HB2 LYS 86 -4.850 8.303 -11.940 74 HB3 LYS 86 HB3 LYS 86 -6.146 9.493 -11.778 75 HG2 LYS 86 HG2 LYS 86 -6.266 9.854 -14.155 76 HG3 LYS 86 HG3 LYS 86 -4.760 8.971 -14.439 77 HD2 LYS 86 HD2 LYS 86 -5.851 6.877 -13.576 78 HD3 LYS 86 HD3 LYS 86 -7.375 7.781 -13.406 79 HE2 LYS 86 HE2 LYS 86 -7.286 8.307 -15.866 80 HE3 LYS 86 HE3 LYS 86 -5.799 7.357 -15.996 81 HZ1 LYS 86 HZ1 LYS 86 -8.458 6.280 -15.168 82 HZ2 LYS 86 HZ2 LYS 86 -7.754 6.034 -16.617 83 HZ3 LYS 86 HZ3 LYS 86 -7.091 5.390 -15.276 84 H ASN 87 H ASN 87 -3.170 11.316 -14.321 85 HA ASN 87 HA ASN 87 -4.417 13.960 -13.983 86 HB2 ASN 87 HB2 ASN 87 -2.039 13.683 -14.290 87 HB3 ASN 87 HB3 ASN 87 -2.282 12.962 -15.875 88 HD21 ASN 87 HD22 ASN 87 -0.802 15.405 -15.115 89 HD22 ASN 87 HD21 ASN 87 -1.617 16.724 -15.957 90 HA PRO 88 HA PRO 88 -7.507 12.609 -17.037 91 HB2 PRO 88 HB2 PRO 88 -9.155 14.827 -16.917 92 HB3 PRO 88 HB3 PRO 88 -9.166 13.477 -15.746 93 HG2 PRO 88 HG2 PRO 88 -7.768 16.151 -15.490 94 HG3 PRO 88 HG3 PRO 88 -8.749 15.285 -14.259 95 HD2 PRO 88 HD2 PRO 88 -6.055 15.193 -14.263 96 HD3 PRO 88 HD3 PRO 88 -7.033 13.758 -13.820 97 H HIS 89 H HIS 89 -5.367 15.352 -17.268 98 HA HIS 89 HA HIS 89 -6.172 16.029 -20.032 99 HB2 HIS 89 HB2 HIS 89 -3.910 17.147 -18.327 100 HB3 HIS 89 HB3 HIS 89 -4.513 17.805 -19.843 101 HD1 HIS 89 HD1 HIS 89 -7.132 18.788 -19.726 102 HD2 HIS 89 HD2 HIS 89 -5.129 17.906 -16.109 103 HE1 HIS 89 HE1 HIS 89 -8.442 19.992 -17.860 104 HE2 HIS 89 HE2 HIS 89 -7.213 19.463 -15.664 105 H THR 90 H THR 90 -3.754 14.005 -18.501 106 HA THR 90 HA THR 90 -2.344 13.646 -21.135 107 HB THR 90 HB THR 90 -0.295 13.357 -19.924 108 HG1 THR 90 HG1 THR 90 -0.288 13.591 -17.659 109 HG21 THR 90 HG21 THR 90 -1.688 15.753 -18.674 110 HG22 THR 90 HG22 THR 90 0.060 15.518 -18.928 111 HG23 THR 90 HG23 THR 90 -1.010 15.741 -20.322 112 H GLY 91 H GLY 91 -3.866 11.899 -18.488 113 HA2 GLY 91 HA2 GLY 91 -4.318 9.640 -18.297 114 HA3 GLY 91 HA3 GLY 91 -3.464 9.315 -19.811 115 H GLU 92 H GLU 92 -1.551 11.129 -17.536 116 HA GLU 92 HA GLU 92 0.243 8.928 -16.939 117 HB2 GLU 92 HB2 GLU 92 0.073 11.832 -16.066 118 HB3 GLU 92 HB3 GLU 92 1.334 10.698 -15.548 119 HG2 GLU 92 HG2 GLU 92 2.187 10.466 -17.759 120 HG3 GLU 92 HG3 GLU 92 0.911 11.500 -18.436 121 H VAL 93 H VAL 93 0.424 8.048 -14.974 122 HA VAL 93 HA VAL 93 -1.279 8.863 -12.680 123 HB VAL 93 HB VAL 93 -0.528 6.060 -13.445 124 HG11 VAL 93 HG11 VAL 93 -1.000 6.185 -11.018 125 HG12 VAL 93 HG12 VAL 93 -2.506 7.075 -11.333 126 HG13 VAL 93 HG13 VAL 93 -2.339 5.380 -11.814 127 HG21 VAL 93 HG21 VAL 93 -3.172 7.512 -13.842 128 HG22 VAL 93 HG22 VAL 93 -2.122 6.865 -15.114 129 HG23 VAL 93 HG23 VAL 93 -2.970 5.752 -14.030 130 H ILE 94 H ILE 94 -0.422 8.414 -10.690 131 HA ILE 94 HA ILE 94 2.398 7.663 -10.301 132 HB ILE 94 HB ILE 94 1.829 9.906 -8.570 133 HG12 ILE 94 HG12 ILE 94 1.834 10.801 -11.480 134 HG13 ILE 94 HG13 ILE 94 0.430 10.819 -10.398 135 HG21 ILE 94 HG21 ILE 94 4.009 10.611 -9.142 136 HG22 ILE 94 HG22 ILE 94 4.062 8.858 -9.163 137 HG23 ILE 94 HG23 ILE 94 3.970 9.754 -10.708 138 HD11 ILE 94 HD11 ILE 94 2.977 12.415 -10.059 139 HD12 ILE 94 HD12 ILE 94 1.342 13.024 -10.357 140 HD13 ILE 94 HD13 ILE 94 1.728 12.247 -8.803 141 H GLU 95 H GLU 95 2.852 7.555 -7.977 142 HA GLU 95 HA GLU 95 0.671 7.262 -6.019 143 HB2 GLU 95 HB2 GLU 95 2.518 5.074 -6.997 144 HB3 GLU 95 HB3 GLU 95 1.914 5.064 -5.315 145 HG2 GLU 95 HG2 GLU 95 -0.363 4.989 -6.037 146 HG3 GLU 95 HG3 GLU 95 0.097 5.152 -7.740 147 H THR 96 H THR 96 1.365 8.424 -4.306 148 HA THR 96 HA THR 96 4.183 8.222 -3.391 149 HB THR 96 HB THR 96 4.815 10.354 -3.672 150 HG1 THR 96 HG1 THR 96 3.431 12.137 -3.471 151 HG21 THR 96 HG21 THR 96 3.953 11.568 -5.637 152 HG22 THR 96 HG22 THR 96 4.126 9.859 -6.032 153 HG23 THR 96 HG23 THR 96 2.511 10.524 -5.665 154 H LYS 97 H LYS 97 4.465 8.834 -1.162 155 HA LYS 97 HA LYS 97 1.944 8.845 0.455 156 HB2 LYS 97 HB2 LYS 97 4.804 8.644 1.359 157 HB3 LYS 97 HB3 LYS 97 3.384 8.296 2.330 158 HG2 LYS 97 HG2 LYS 97 2.908 6.284 1.075 159 HG3 LYS 97 HG3 LYS 97 4.122 6.670 -0.145 160 HD2 LYS 97 HD2 LYS 97 5.860 6.587 1.774 161 HD3 LYS 97 HD3 LYS 97 4.590 5.833 2.725 162 HE2 LYS 97 HE2 LYS 97 5.936 4.089 1.815 163 HE3 LYS 97 HE3 LYS 97 4.408 4.049 0.933 164 HZ1 LYS 97 HZ1 LYS 97 5.532 5.222 -0.912 165 HZ2 LYS 97 HZ2 LYS 97 6.909 5.383 -0.066 166 HZ3 LYS 97 HZ3 LYS 97 6.412 3.889 -0.533 167 H GLY 98 H GLY 98 3.531 11.142 -1.059 168 HA2 GLY 98 HA2 GLY 98 2.854 13.469 -0.392 169 HA3 GLY 98 HA3 GLY 98 3.704 13.159 1.131 170 H GLY 99 H GLY 99 4.836 15.073 0.539 171 HA2 GLY 99 HA2 GLY 99 6.831 16.027 0.209 172 HA3 GLY 99 HA3 GLY 99 7.452 14.467 -0.299 173 H ASN 100 H ASN 100 8.522 16.648 -1.230 174 HA ASN 100 HA ASN 100 7.900 17.562 -3.841 175 HB2 ASN 100 HB2 ASN 100 9.563 18.688 -2.575 176 HB3 ASN 100 HB3 ASN 100 10.338 17.205 -2.106 177 HD21 ASN 100 HD22 ASN 100 12.206 18.536 -2.577 178 HD22 ASN 100 HD21 ASN 100 12.918 18.167 -4.131 179 H HIS 101 H HIS 101 7.172 16.069 -5.269 180 HA HIS 101 HA HIS 101 9.025 13.901 -6.156 181 HB2 HIS 101 HB2 HIS 101 7.093 13.057 -4.771 182 HB3 HIS 101 HB3 HIS 101 5.992 13.665 -6.003 183 HD1 HIS 101 HD1 HIS 101 8.907 11.048 -5.644 184 HD2 HIS 101 HD2 HIS 101 5.622 12.101 -8.117 185 HE1 HIS 101 HE1 HIS 101 8.650 9.170 -7.354 186 HE2 HIS 101 HE2 HIS 101 6.681 9.797 -8.875 187 H LYS 102 H LYS 102 9.538 14.057 -8.279 188 HA LYS 102 HA LYS 102 9.236 16.343 -9.721 189 HB2 LYS 102 HB2 LYS 102 10.842 14.494 -10.059 190 HB3 LYS 102 HB3 LYS 102 9.645 13.703 -11.103 191 HG2 LYS 102 HG2 LYS 102 9.544 15.718 -12.543 192 HG3 LYS 102 HG3 LYS 102 10.621 16.593 -11.449 193 HD2 LYS 102 HD2 LYS 102 11.352 14.097 -12.997 194 HD3 LYS 102 HD3 LYS 102 11.720 15.766 -13.488 195 HE2 LYS 102 HE2 LYS 102 13.044 16.073 -11.393 196 HE3 LYS 102 HE3 LYS 102 12.733 14.391 -10.955 197 HZ1 LYS 102 HZ1 LYS 102 13.910 13.726 -13.005 198 HZ2 LYS 102 HZ2 LYS 102 14.274 15.296 -13.332 199 HZ3 LYS 102 HZ3 LYS 102 14.860 14.575 -11.972 200 H THR 103 H THR 103 7.372 13.510 -10.999 201 HA THR 103 HA THR 103 5.923 15.061 -12.833 202 HB THR 103 HB THR 103 4.906 12.518 -11.532 203 HG1 THR 103 HG1 THR 103 6.030 11.541 -13.292 204 HG21 THR 103 HG21 THR 103 3.917 12.273 -13.928 205 HG22 THR 103 HG22 THR 103 3.179 13.469 -12.852 206 HG23 THR 103 HG23 THR 103 4.299 14.011 -14.109 207 H LEU 104 H LEU 104 5.027 14.275 -9.495 208 HA LEU 104 HA LEU 104 2.405 15.385 -9.496 209 HB2 LEU 104 HB2 LEU 104 3.391 13.802 -7.813 210 HB3 LEU 104 HB3 LEU 104 4.443 15.100 -7.242 211 HG LEU 104 HG LEU 104 2.503 16.362 -6.433 212 HD11 LEU 104 HD11 LEU 104 0.268 15.260 -6.355 213 HD12 LEU 104 HD12 LEU 104 0.769 15.578 -8.028 214 HD13 LEU 104 HD13 LEU 104 0.879 13.939 -7.354 215 HD21 LEU 104 HD21 LEU 104 1.897 14.853 -4.599 216 HD22 LEU 104 HD22 LEU 104 2.482 13.455 -5.514 217 HD23 LEU 104 HD23 LEU 104 3.622 14.713 -4.960 218 H LYS 105 H LYS 105 5.599 16.898 -8.964 219 HA LYS 105 HA LYS 105 4.526 19.531 -8.289 220 HB2 LYS 105 HB2 LYS 105 7.276 18.526 -9.131 221 HB3 LYS 105 HB3 LYS 105 6.959 20.225 -8.893 222 HG2 LYS 105 HG2 LYS 105 6.630 18.059 -6.769 223 HG3 LYS 105 HG3 LYS 105 8.004 19.147 -6.933 224 HD2 LYS 105 HD2 LYS 105 5.167 19.889 -6.118 225 HD3 LYS 105 HD3 LYS 105 6.627 19.945 -5.143 226 HE2 LYS 105 HE2 LYS 105 7.556 21.711 -6.714 227 HE3 LYS 105 HE3 LYS 105 6.011 21.699 -7.571 228 HZ1 LYS 105 HZ1 LYS 105 4.958 22.280 -5.356 229 HZ2 LYS 105 HZ2 LYS 105 6.436 22.494 -4.735 230 HZ3 LYS 105 HZ3 LYS 105 5.946 23.473 -5.962 231 H GLU 106 H GLU 106 5.312 17.957 -11.398 232 HA GLU 106 HA GLU 106 5.186 20.424 -12.882 233 HB2 GLU 106 HB2 GLU 106 4.480 17.680 -13.958 234 HB3 GLU 106 HB3 GLU 106 5.029 19.110 -14.860 235 HG2 GLU 106 HG2 GLU 106 7.183 18.883 -13.426 236 HG3 GLU 106 HG3 GLU 106 6.508 17.294 -13.001 237 H TRP 107 H TRP 107 2.883 17.852 -12.150 238 HA TRP 107 HA TRP 107 0.647 18.983 -13.502 239 HB2 TRP 107 HB2 TRP 107 0.617 17.334 -10.960 240 HB3 TRP 107 HB3 TRP 107 -0.773 17.678 -11.987 241 HD1 TRP 107 HD1 TRP 107 1.957 16.818 -14.310 242 HE1 TRP 107 HE1 TRP 107 1.741 14.360 -15.060 243 HE3 TRP 107 HE3 TRP 107 -1.512 15.186 -10.908 244 HZ2 TRP 107 HZ2 TRP 107 0.715 11.938 -13.936 245 HZ3 TRP 107 HZ3 TRP 107 -2.234 12.811 -10.939 246 HH2 TRP 107 HH2 TRP 107 -1.065 11.161 -12.400 247 H LYS 108 H LYS 108 1.818 19.707 -10.216 248 HA LYS 108 HA LYS 108 -0.314 21.549 -9.540 249 HB2 LYS 108 HB2 LYS 108 2.582 21.404 -8.585 250 HB3 LYS 108 HB3 LYS 108 1.377 22.532 -7.950 251 HG2 LYS 108 HG2 LYS 108 -0.092 20.596 -7.366 252 HG3 LYS 108 HG3 LYS 108 1.194 19.501 -7.867 253 HD2 LYS 108 HD2 LYS 108 2.735 20.647 -6.232 254 HD3 LYS 108 HD3 LYS 108 1.353 21.612 -5.672 255 HE2 LYS 108 HE2 LYS 108 0.142 19.385 -5.201 256 HE3 LYS 108 HE3 LYS 108 1.653 18.571 -5.618 257 HZ1 LYS 108 HZ1 LYS 108 1.755 18.800 -3.350 258 HZ2 LYS 108 HZ2 LYS 108 2.689 20.086 -3.844 259 HZ3 LYS 108 HZ3 LYS 108 1.166 20.347 -3.307 260 H ALA 109 H ALA 109 2.756 21.980 -11.352 261 HA ALA 109 HA ALA 109 2.645 24.833 -11.491 262 HB1 ALA 109 HB1 ALA 109 4.667 23.356 -11.950 263 HB2 ALA 109 HB2 ALA 109 3.899 22.876 -13.483 264 HB3 ALA 109 HB3 ALA 109 4.329 24.566 -13.228 265 H LYS 110 H LYS 110 1.736 22.236 -13.724 266 HA LYS 110 HA LYS 110 0.888 23.870 -15.744 267 HB2 LYS 110 HB2 LYS 110 0.684 20.920 -15.187 268 HB3 LYS 110 HB3 LYS 110 -0.010 21.597 -16.673 269 HG2 LYS 110 HG2 LYS 110 2.205 22.565 -17.263 270 HG3 LYS 110 HG3 LYS 110 2.901 21.876 -15.797 271 HD2 LYS 110 HD2 LYS 110 3.518 20.369 -17.513 272 HD3 LYS 110 HD3 LYS 110 2.198 19.586 -16.656 273 HE2 LYS 110 HE2 LYS 110 1.698 19.239 -18.936 274 HE3 LYS 110 HE3 LYS 110 0.625 20.560 -18.453 275 HZ1 LYS 110 HZ1 LYS 110 2.201 22.128 -19.500 276 HZ2 LYS 110 HZ2 LYS 110 3.202 20.902 -19.919 277 HZ3 LYS 110 HZ3 LYS 110 1.723 21.013 -20.587 278 H TRP 111 H TRP 111 -1.041 22.285 -13.244 279 HA TRP 111 HA TRP 111 -3.527 23.611 -14.297 280 HB2 TRP 111 HB2 TRP 111 -3.330 20.793 -13.198 281 HB3 TRP 111 HB3 TRP 111 -4.801 21.608 -13.700 282 HD1 TRP 111 HD1 TRP 111 -5.051 22.145 -16.376 283 HE1 TRP 111 HE1 TRP 111 -4.113 20.960 -18.445 284 HE3 TRP 111 HE3 TRP 111 -1.411 19.395 -14.117 285 HZ2 TRP 111 HZ2 TRP 111 -1.976 19.094 -19.056 286 HZ3 TRP 111 HZ3 TRP 111 0.167 18.010 -15.486 287 HH2 TRP 111 HH2 TRP 111 -0.137 17.808 -17.921 288 H GLY 112 H GLY 112 -2.199 22.050 -11.300 289 HA2 GLY 112 HA2 GLY 112 -2.026 24.000 -9.587 290 HA3 GLY 112 HA3 GLY 112 -3.777 24.028 -9.659 291 HA PRO 113 HA PRO 113 -2.060 20.768 -6.575 292 HB2 PRO 113 HB2 PRO 113 -2.352 22.147 -4.174 293 HB3 PRO 113 HB3 PRO 113 -0.845 22.002 -5.107 294 HG2 PRO 113 HG2 PRO 113 -2.830 24.268 -5.107 295 HG3 PRO 113 HG3 PRO 113 -1.035 24.346 -5.083 296 HD2 PRO 113 HD2 PRO 113 -2.468 24.742 -7.353 297 HD3 PRO 113 HD3 PRO 113 -0.898 23.878 -7.380 298 H GLU 114 H GLU 114 -4.811 23.041 -6.341 299 HA GLU 114 HA GLU 114 -6.546 21.471 -4.719 300 HB2 GLU 114 HB2 GLU 114 -7.402 23.212 -7.047 301 HB3 GLU 114 HB3 GLU 114 -8.271 22.823 -5.538 302 HG2 GLU 114 HG2 GLU 114 -6.441 24.097 -4.307 303 HG3 GLU 114 HG3 GLU 114 -5.839 24.582 -5.902 304 H ALA 115 H ALA 115 -6.121 21.696 -8.180 305 HA ALA 115 HA ALA 115 -8.036 19.809 -9.069 306 HB1 ALA 115 HB1 ALA 115 -6.699 21.551 -10.411 307 HB2 ALA 115 HB2 ALA 115 -5.349 20.363 -10.415 308 HB3 ALA 115 HB3 ALA 115 -6.891 19.945 -11.172 309 H VAL 116 H VAL 116 -4.534 19.527 -8.621 310 HA VAL 116 HA VAL 116 -4.185 16.905 -9.213 311 HB VAL 116 HB VAL 116 -2.669 18.862 -7.492 312 HG11 VAL 116 HG11 VAL 116 -0.689 17.462 -7.547 313 HG12 VAL 116 HG12 VAL 116 -1.957 16.711 -6.584 314 HG13 VAL 116 HG13 VAL 116 -1.642 16.108 -8.226 315 HG21 VAL 116 HG21 VAL 116 -2.070 17.582 -10.181 316 HG22 VAL 116 HG22 VAL 116 -2.907 19.128 -10.015 317 HG23 VAL 116 HG23 VAL 116 -1.229 18.973 -9.443 318 H GLU 117 H GLU 117 -4.782 18.252 -5.933 319 HA GLU 117 HA GLU 117 -4.793 15.708 -4.533 320 HB2 GLU 117 HB2 GLU 117 -5.986 18.486 -4.037 321 HB3 GLU 117 HB3 GLU 117 -6.289 17.171 -2.920 322 HG2 GLU 117 HG2 GLU 117 -3.441 17.913 -3.639 323 HG3 GLU 117 HG3 GLU 117 -4.363 18.841 -2.450 324 H SER 118 H SER 118 -7.320 17.554 -6.275 325 HA SER 118 HA SER 118 -9.545 15.982 -5.285 326 HB2 SER 118 HB2 SER 118 -9.360 17.648 -7.828 327 HB3 SER 118 HB3 SER 118 -10.834 16.975 -7.121 328 HG SER 118 HG SER 118 -9.108 18.957 -6.046 329 H TRP 119 H TRP 119 -7.328 15.594 -8.014 330 HA TRP 119 HA TRP 119 -8.723 13.355 -9.208 331 HB2 TRP 119 HB2 TRP 119 -5.779 14.028 -9.423 332 HB3 TRP 119 HB3 TRP 119 -6.768 13.079 -10.523 333 HD1 TRP 119 HD1 TRP 119 -9.111 15.485 -10.594 334 HE1 TRP 119 HE1 TRP 119 -8.665 17.483 -12.137 335 HE3 TRP 119 HE3 TRP 119 -4.072 14.888 -11.248 336 HZ2 TRP 119 HZ2 TRP 119 -6.392 18.719 -13.425 337 HZ3 TRP 119 HZ3 TRP 119 -2.798 16.470 -12.698 338 HH2 TRP 119 HH2 TRP 119 -3.945 18.377 -13.779 339 H ALA 120 H ALA 120 -6.941 13.463 -6.212 340 HA ALA 120 HA ALA 120 -5.497 11.080 -6.596 341 HB1 ALA 120 HB1 ALA 120 -5.151 13.046 -4.859 342 HB2 ALA 120 HB2 ALA 120 -6.129 11.992 -3.801 343 HB3 ALA 120 HB3 ALA 120 -4.624 11.378 -4.513 344 H THR 121 H THR 121 -5.541 9.393 -5.192 345 HA THR 121 HA THR 121 -8.113 7.969 -4.443 346 HB THR 121 HB THR 121 -5.841 6.979 -6.179 347 HG1 THR 121 HG1 THR 121 -8.566 7.468 -6.877 348 HG21 THR 121 HG21 THR 121 -8.385 5.725 -5.066 349 HG22 THR 121 HG22 THR 121 -7.528 5.008 -6.468 350 HG23 THR 121 HG23 THR 121 -6.717 5.119 -4.892 351 H LEU 122 H LEU 122 -7.829 6.725 -2.629 352 HA LEU 122 HA LEU 122 -5.166 6.950 -1.287 353 HB2 LEU 122 HB2 LEU 122 -7.407 7.939 -0.419 354 HB3 LEU 122 HB3 LEU 122 -7.773 6.290 0.075 355 HG LEU 122 HG LEU 122 -5.308 7.919 0.897 356 HD11 LEU 122 HD11 LEU 122 -7.442 8.788 1.821 357 HD12 LEU 122 HD12 LEU 122 -7.813 7.179 2.483 358 HD13 LEU 122 HD13 LEU 122 -6.418 8.108 3.091 359 HD21 LEU 122 HD21 LEU 122 -4.641 5.674 1.136 360 HD22 LEU 122 HD22 LEU 122 -5.176 6.131 2.743 361 HD23 LEU 122 HD23 LEU 122 -6.247 5.154 1.727 362 H LEU 123 H LEU 123 -3.962 5.294 -1.026 363 HA LEU 123 HA LEU 123 -4.959 2.529 -1.522 364 HB2 LEU 123 HB2 LEU 123 -2.339 3.890 -2.303 365 HB3 LEU 123 HB3 LEU 123 -2.729 2.193 -2.575 366 HG LEU 123 HG LEU 123 -4.142 4.615 -3.799 367 HD11 LEU 123 HD11 LEU 123 -1.910 4.207 -4.668 368 HD12 LEU 123 HD12 LEU 123 -2.261 2.487 -4.915 369 HD13 LEU 123 HD13 LEU 123 -3.108 3.696 -5.887 370 HD21 LEU 123 HD21 LEU 123 -5.284 2.944 -5.252 371 HD22 LEU 123 HD22 LEU 123 -4.590 1.626 -4.278 372 HD23 LEU 123 HD23 LEU 123 -5.753 2.753 -3.561 373 H GLY 124 H GLY 124 -4.724 1.172 0.010 374 HA2 GLY 124 HA2 GLY 124 -3.522 1.822 2.534 375 HA3 GLY 124 HA3 GLY 124 -4.247 0.276 2.081 376 H HIS 125 H HIS 125 -2.155 0.213 -0.226 377 HA HIS 125 HA HIS 125 0.416 -0.164 1.110 378 HB2 HIS 125 HB2 HIS 125 0.619 -2.553 0.415 379 HB3 HIS 125 HB3 HIS 125 -0.530 -2.269 1.714 380 HD1 HIS 125 HD1 HIS 125 -1.427 -1.876 -2.013 381 HD2 HIS 125 HD2 HIS 125 -2.084 -4.372 1.322 382 HE1 HIS 125 HE1 HIS 125 -3.257 -3.592 -2.728 383 HE2 HIS 125 HE2 HIS 125 -3.652 -5.091 -0.666 384 H5' DC 1 H5' DC 1 -5.045 29.358 7.017 385 H5'' DC 1 H5'' DC 1 -3.611 30.130 6.350 386 H4' DC 1 H4' DC 1 -3.423 30.074 8.734 387 H3' DC 1 H3' DC 1 -1.505 28.941 7.039 388 H2' DC 1 H2' DC 1 -1.682 26.777 7.601 389 H2'' DC 1 H2'' DC 1 -0.749 27.182 9.033 390 H1' DC 1 H1' DC 1 -2.561 27.399 10.425 391 H41 DC 1 H41 DC 1 -5.337 21.728 8.415 392 H42 DC 1 H42 DC 1 -5.273 21.747 10.184 393 H5 DC 1 H5 DC 1 -4.461 23.625 7.071 394 H6 DC 1 H6 DC 1 -3.503 25.843 7.255 395 HO5' DC 1 H5T DC 1 -4.226 28.235 5.135 396 H5' DG 2 H5' DG 2 -0.361 29.221 11.688 397 H5'' DG 2 H5'' DG 2 1.192 30.055 11.760 398 H4' DG 2 H4' DG 2 1.239 28.556 13.538 399 H3' DG 2 H3' DG 2 3.144 28.215 11.499 400 H2' DG 2 H2' DG 2 2.172 26.301 10.618 401 H2'' DG 2 H2'' DG 2 3.218 25.506 11.804 402 H1' DG 2 H1' DG 2 1.491 25.373 13.435 403 H8 DG 2 H8 DG 2 0.317 25.479 9.794 404 H1 DG 2 H1 DG 2 -1.798 20.420 13.183 405 H21 DG 2 H21 DG 2 0.005 21.884 15.717 406 H22 DG 2 H22 DG 2 -1.008 20.534 15.198 407 H5' DC 3 H5' DC 3 3.601 25.745 15.514 408 H5'' DC 3 H5'' DC 3 5.289 25.748 16.020 409 H4' DC 3 H4' DC 3 4.278 23.678 16.679 410 H3' DC 3 H3' DC 3 6.496 23.683 14.791 411 H2' DC 3 H2' DC 3 5.702 22.142 13.351 412 H2'' DC 3 H2'' DC 3 5.691 20.938 14.647 413 H1' DC 3 H1' DC 3 3.485 21.190 15.130 414 H41 DC 3 H41 DC 3 1.304 21.720 8.895 415 H42 DC 3 H42 DC 3 0.674 20.238 9.627 416 H5 DC 3 H5 DC 3 2.931 23.132 10.081 417 H6 DC 3 H6 DC 3 4.028 23.454 12.279 418 H5' DA 4 H5' DA 4 5.830 19.925 17.217 419 H5'' DA 4 H5'' DA 4 7.301 19.248 17.929 420 H4' DA 4 H4' DA 4 5.996 17.456 17.116 421 H3' DA 4 H3' DA 4 8.604 17.919 15.968 422 H2' DA 4 H2' DA 4 7.824 18.157 13.833 423 H2'' DA 4 H2'' DA 4 7.794 16.392 13.809 424 H1' DA 4 H1' DA 4 5.492 16.288 14.475 425 H8 DA 4 H8 DA 4 6.514 19.548 12.759 426 H61 DA 4 H61 DA 4 2.138 18.005 8.551 427 H62 DA 4 H62 DA 4 3.232 19.284 9.043 428 H2 DA 4 H2 DA 4 2.417 14.770 11.438 429 H5' DT 5 H5' DT 5 6.840 13.657 15.459 430 H5'' DT 5 H5'' DT 5 8.063 12.425 15.808 431 H4' DT 5 H4' DT 5 6.783 11.690 13.935 432 H3' DT 5 H3' DT 5 9.595 12.055 13.705 433 H2' DT 5 H2' DT 5 9.477 13.757 12.162 434 H2'' DT 5 H2'' DT 5 9.309 12.422 10.997 435 H1' DT 5 H1' DT 5 6.941 12.458 11.089 436 H3 DT 5 H3 DT 5 5.105 15.661 8.509 437 H71 DT 5 H71 DT 5 9.116 18.207 9.358 438 H72 DT 5 H72 DT 5 8.063 18.854 10.610 439 H73 DT 5 H73 DT 5 9.430 17.814 11.065 440 H6 DT 5 H6 DT 5 8.832 15.649 11.585 441 H5' DA 6 H5' DA 6 7.246 9.004 10.779 442 H5'' DA 6 H5'' DA 6 8.309 7.605 10.688 443 H4' DA 6 H4' DA 6 7.010 7.668 8.719 444 H3' DA 6 H3' DA 6 9.782 7.572 8.541 445 H2' DA 6 H2' DA 6 10.157 9.758 7.959 446 H2'' DA 6 H2'' DA 6 9.869 9.193 6.331 447 H1' DA 6 H1' DA 6 7.672 9.951 6.252 448 H8 DA 6 H8 DA 6 9.875 11.629 8.918 449 H61 DA 6 H61 DA 6 7.961 16.908 6.164 450 H62 DA 6 H62 DA 6 9.123 16.255 7.315 451 H2 DA 6 H2 DA 6 5.690 13.623 4.457 452 H5' DT 7 H5' DT 7 6.963 7.727 5.130 453 H5'' DT 7 H5'' DT 7 7.224 6.581 3.811 454 H4' DT 7 H4' DT 7 6.223 8.653 3.013 455 H3' DT 7 H3' DT 7 8.569 7.527 1.884 456 H2' DT 7 H2' DT 7 9.948 9.280 2.564 457 H2'' DT 7 H2'' DT 7 9.374 10.020 1.053 458 H1' DT 7 H1' DT 7 7.531 11.102 2.134 459 H3 DT 7 H3 DT 7 9.581 14.931 3.367 460 H71 DT 7 H71 DT 7 11.836 12.382 6.808 461 H72 DT 7 H72 DT 7 12.017 10.814 5.984 462 H73 DT 7 H73 DT 7 12.959 12.223 5.457 463 H6 DT 7 H6 DT 7 10.288 10.306 4.484 464 H5' DA 8 H5' DA 8 7.290 10.718 -1.394 465 H5'' DA 8 H5'' DA 8 7.396 9.818 -2.910 466 H4' DA 8 H4' DA 8 8.611 11.759 -3.310 467 H3' DA 8 H3' DA 8 10.307 9.378 -2.975 468 H2' DA 8 H2' DA 8 11.725 10.376 -1.515 469 H2'' DA 8 H2'' DA 8 12.304 11.326 -2.911 470 H1' DA 8 H1' DA 8 10.879 13.128 -2.473 471 H8 DA 8 H8 DA 8 11.422 10.990 0.789 472 H61 DA 8 H61 DA 8 13.235 16.592 3.029 473 H62 DA 8 H62 DA 8 12.979 14.937 3.574 474 H2 DA 8 H2 DA 8 12.152 17.112 -1.014 475 H5' DT 9 H5' DT 9 10.936 12.816 -6.110 476 H5'' DT 9 H5'' DT 9 11.662 12.097 -7.560 477 H4' DT 9 H4' DT 9 12.308 14.405 -7.451 478 H3' DT 9 H3' DT 9 14.226 12.318 -7.459 479 H2' DT 9 H2' DT 9 15.183 12.712 -5.476 480 H2'' DT 9 H2'' DT 9 16.004 14.068 -6.231 481 H1' DT 9 H1' DT 9 14.484 15.664 -5.529 482 H3 DT 9 H3 DT 9 15.278 16.387 -1.139 483 H71 DT 9 H71 DT 9 14.510 11.029 -1.862 484 H72 DT 9 H72 DT 9 15.844 11.594 -0.839 485 H73 DT 9 H73 DT 9 14.182 11.777 -0.282 486 H6 DT 9 H6 DT 9 14.146 12.441 -3.677 487 H5' DG 10 H5' DG 10 15.137 16.762 -8.081 488 H5'' DG 10 H5'' DG 10 16.049 16.953 -9.579 489 H4' DG 10 H4' DG 10 16.569 18.810 -8.204 490 H3' DG 10 H3' DG 10 18.585 17.152 -9.170 491 H2' DG 10 H2' DG 10 18.969 16.051 -7.154 492 H2'' DG 10 H2'' DG 10 20.123 17.368 -6.922 493 H1' DG 10 H1' DG 10 18.598 18.674 -5.658 494 H8 DG 10 H8 DG 10 17.918 14.909 -5.622 495 H1 DG 10 H1 DG 10 19.013 17.527 0.162 496 H21 DG 10 H21 DG 10 19.471 20.387 -1.674 497 H22 DG 10 H22 DG 10 19.565 19.590 -0.099 498 H5' DC 11 H5' DC 11 19.811 21.178 -6.927 499 H5'' DC 11 H5'' DC 11 20.915 22.007 -8.020 500 H4' DC 11 H4' DC 11 21.411 22.693 -5.807 501 H3' DC 11 H3' DC 11 23.382 21.606 -7.455 502 H2' DC 11 H2' DC 11 23.628 19.579 -6.388 503 H2'' DC 11 H2'' DC 11 24.704 20.469 -5.309 504 H1' DC 11 H1' DC 11 23.099 20.832 -3.693 505 H41 DC 11 H41 DC 11 21.132 14.529 -3.312 506 H42 DC 11 H42 DC 11 21.421 15.143 -1.681 507 H5 DC 11 H5 DC 11 21.529 15.887 -5.277 508 H6 DC 11 H6 DC 11 22.117 18.184 -6.014 509 H5' DG 12 H5' DG 12 25.282 23.069 -3.475 510 H5'' DG 12 H5'' DG 12 26.897 23.752 -3.681 511 H4' DG 12 H4' DG 12 26.977 22.152 -1.903 512 H3' DG 12 H3' DG 12 28.317 21.227 -4.434 513 HO3' DG 12 H3T DG 12 30.169 21.538 -3.076 514 H2' DG 12 H2' DG 12 28.347 19.073 -3.772 515 H2'' DG 12 H2'' DG 12 28.895 19.491 -2.132 516 H1' DG 12 H1' DG 12 26.777 19.562 -1.273 517 H8 DG 12 H8 DG 12 26.104 18.507 -4.903 518 H1 DG 12 H1 DG 12 24.572 14.191 -0.357 519 H21 DG 12 H21 DG 12 25.928 16.579 1.731 520 H22 DG 12 H22 DG 12 25.300 14.936 1.591 521 H5' DC 13 H5' DC 13 24.781 7.515 4.674 522 H5'' DC 13 H5'' DC 13 24.112 7.618 6.295 523 H4' DC 13 H4' DC 13 25.559 9.496 5.911 524 H3' DC 13 H3' DC 13 22.921 9.741 6.753 525 H2' DC 13 H2' DC 13 22.062 10.621 4.781 526 H2'' DC 13 H2'' DC 13 22.588 12.160 5.490 527 H1' DC 13 H1' DC 13 24.657 12.127 4.396 528 H41 DC 13 H41 DC 13 22.014 11.581 -1.639 529 H42 DC 13 H42 DC 13 23.239 12.854 -1.669 530 H5 DC 13 H5 DC 13 21.488 10.329 0.404 531 H6 DC 13 H6 DC 13 22.143 10.033 2.730 532 HO5' DC 13 H5T DC 13 22.512 6.988 4.706 533 H5' DG 14 H5' DG 14 25.623 13.908 7.005 534 H5'' DG 14 H5'' DG 14 25.335 14.348 8.688 535 H4' DG 14 H4' DG 14 25.686 16.367 7.597 536 H3' DG 14 H3' DG 14 23.228 15.977 8.843 537 H2' DG 14 H2' DG 14 21.975 15.625 6.909 538 H2'' DG 14 H2'' DG 14 21.826 17.364 6.942 539 H1' DG 14 H1' DG 14 23.520 17.716 5.391 540 H8 DG 14 H8 DG 14 21.982 14.223 5.294 541 H1 DG 14 H1 DG 14 22.272 17.262 -0.381 542 H21 DG 14 H21 DG 14 23.789 19.716 1.476 543 H22 DG 14 H22 DG 14 23.178 19.203 -0.102 544 H5' DC 15 H5' DC 15 23.806 20.048 6.832 545 H5'' DC 15 H5'' DC 15 23.114 21.454 7.647 546 H4' DC 15 H4' DC 15 22.682 21.506 5.261 547 H3' DC 15 H3' DC 15 20.328 21.229 7.082 548 H2' DC 15 H2' DC 15 19.027 20.302 5.506 549 H2'' DC 15 H2'' DC 15 19.406 21.585 4.336 550 H1' DC 15 H1' DC 15 21.124 20.476 3.366 551 H41 DC 15 H41 DC 15 18.307 14.516 3.085 552 H42 DC 15 H42 DC 15 18.351 15.258 1.477 553 H5 DC 15 H5 DC 15 19.001 15.801 5.082 554 H6 DC 15 H6 DC 15 20.031 17.947 5.781 555 H5' DA 16 H5' DA 16 20.513 23.680 3.417 556 H5'' DA 16 H5'' DA 16 19.965 25.345 3.596 557 H4' DA 16 H4' DA 16 19.422 24.666 1.406 558 H3' DA 16 H3' DA 16 17.369 25.467 3.193 559 H2' DA 16 H2' DA 16 16.467 23.352 3.390 560 H2'' DA 16 H2'' DA 16 15.522 23.855 1.987 561 H1' DA 16 H1' DA 16 17.056 22.865 0.430 562 H8 DA 16 H8 DA 16 17.109 21.327 3.920 563 H61 DA 16 H61 DA 16 15.534 16.035 0.962 564 H62 DA 16 H62 DA 16 16.046 16.673 2.516 565 H2 DA 16 H2 DA 16 15.402 19.247 -1.928 566 H5' DT 17 H5' DT 17 15.927 24.836 -1.097 567 H5'' DT 17 H5'' DT 17 14.870 26.135 -1.668 568 H4' DT 17 H4' DT 17 13.984 24.060 -2.421 569 H3' DT 17 H3' DT 17 12.422 25.700 -0.614 570 H2' DT 17 H2' DT 17 12.094 24.023 0.902 571 H2'' DT 17 H2'' DT 17 10.878 23.402 -0.226 572 H1' DT 17 H1' DT 17 12.454 22.004 -1.358 573 H3 DT 17 H3 DT 17 12.750 18.205 1.084 574 H71 DT 17 H71 DT 17 12.710 21.050 4.990 575 H72 DT 17 H72 DT 17 14.444 20.850 4.725 576 H73 DT 17 H73 DT 17 13.673 22.420 4.393 577 H6 DT 17 H6 DT 17 13.338 22.850 2.180 578 H5' DA 18 H5' DA 18 10.446 22.484 -2.941 579 H5'' DA 18 H5'' DA 18 9.102 23.080 -3.918 580 H4' DA 18 H4' DA 18 8.418 20.977 -3.257 581 H3' DA 18 H3' DA 18 6.992 23.135 -1.872 582 H2' DA 18 H2' DA 18 7.459 22.324 0.184 583 H2'' DA 18 H2'' DA 18 6.166 21.156 -0.166 584 H1' DA 18 H1' DA 18 7.683 19.528 -0.938 585 H8 DA 18 H8 DA 18 9.030 21.929 1.742 586 H61 DA 18 H61 DA 18 10.672 16.501 4.514 587 H62 DA 18 H62 DA 18 10.598 18.235 4.835 588 H2 DA 18 H2 DA 18 9.349 15.622 0.562 589 H5' DT 19 H5' DT 19 5.756 18.840 -2.378 590 H5'' DT 19 H5'' DT 19 4.231 18.823 -3.267 591 H4' DT 19 H4' DT 19 3.928 17.014 -1.803 592 H3' DT 19 H3' DT 19 2.363 19.337 -1.152 593 H2' DT 19 H2' DT 19 3.661 19.885 0.677 594 H2'' DT 19 H2'' DT 19 2.466 18.825 1.475 595 H1' DT 19 H1' DT 19 3.841 16.850 1.074 596 H3 DT 19 H3 DT 19 6.666 16.414 4.525 597 H71 DT 19 H71 DT 19 5.978 21.273 4.795 598 H72 DT 19 H72 DT 19 7.657 21.105 4.289 599 H73 DT 19 H73 DT 19 6.445 21.689 3.126 600 H6 DT 19 H6 DT 19 5.370 20.132 1.751 601 H5' DA 20 H5' DA 20 -1.299 15.318 -0.378 602 H5'' DA 20 H5'' DA 20 -0.129 16.227 0.569 603 H4' DA 20 H4' DA 20 0.301 13.294 -0.089 604 H3' DA 20 H3' DA 20 -1.830 14.296 1.392 605 H2' DA 20 H2' DA 20 -0.572 15.454 2.937 606 H2'' DA 20 H2'' DA 20 -0.624 13.915 3.812 607 H1' DA 20 H1' DA 20 1.493 13.224 3.064 608 H8 DA 20 H8 DA 20 1.530 16.977 2.184 609 H61 DA 20 H61 DA 20 4.899 17.706 7.350 610 H62 DA 20 H62 DA 20 4.144 18.569 6.004 611 H2 DA 20 H2 DA 20 3.768 13.539 7.130 612 H5' DT 21 H5' DT 21 -0.169 11.105 3.974 613 H5'' DT 21 H5'' DT 21 -1.396 9.844 4.079 614 H4' DT 21 H4' DT 21 -0.517 9.883 6.206 615 H3' DT 21 H3' DT 21 -3.172 10.701 5.971 616 H2' DT 21 H2' DT 21 -2.861 12.935 6.424 617 H2'' DT 21 H2'' DT 21 -2.952 12.375 8.115 618 H1' DT 21 H1' DT 21 -0.653 12.206 8.356 619 H3 DT 21 H3 DT 21 1.560 16.086 8.771 620 H71 DT 21 H71 DT 21 -0.382 17.480 4.552 621 H72 DT 21 H72 DT 21 -1.945 16.622 4.610 622 H73 DT 21 H73 DT 21 -1.623 17.982 5.703 623 H6 DT 21 H6 DT 21 -1.767 14.552 5.617 624 H5' DG 22 H5' DG 22 -1.520 9.992 10.254 625 H5'' DG 22 H5'' DG 22 -2.715 9.161 11.271 626 H4' DG 22 H4' DG 22 -1.657 10.782 12.623 627 H3' DG 22 H3' DG 22 -4.478 11.074 12.122 628 H2' DG 22 H2' DG 22 -4.209 13.112 11.053 629 H2'' DG 22 H2'' DG 22 -4.226 13.746 12.720 630 H1' DG 22 H1' DG 22 -1.828 13.612 12.887 631 H8 DG 22 H8 DG 22 -3.229 14.297 9.379 632 H1 DG 22 H1 DG 22 0.674 18.826 11.811 633 H21 DG 22 H21 DG 22 0.810 16.651 14.480 634 H22 DG 22 H22 DG 22 1.304 18.209 13.809 635 H5' DC 23 H5' DC 23 -2.090 12.753 15.833 636 H5'' DC 23 H5'' DC 23 -3.031 12.278 17.246 637 H4' DC 23 H4' DC 23 -1.699 14.120 17.868 638 H3' DC 23 H3' DC 23 -4.475 14.204 18.126 639 H2' DC 23 H2' DC 23 -4.928 15.722 16.463 640 H2'' DC 23 H2'' DC 23 -4.552 16.933 17.670 641 H1' DC 23 H1' DC 23 -2.356 17.228 16.972 642 H41 DC 23 H41 DC 23 -4.201 18.113 10.674 643 H42 DC 23 H42 DC 23 -3.190 19.474 11.178 644 H5 DC 23 H5 DC 23 -4.741 16.283 12.191 645 H6 DC 23 H6 DC 23 -4.300 15.408 14.473 646 H5' DG 24 H5' DG 24 -2.671 17.995 20.015 647 H5'' DG 24 H5'' DG 24 -3.511 18.510 21.478 648 H4' DG 24 H4' DG 24 -3.311 20.405 20.070 649 H3' DG 24 H3' DG 24 -6.119 19.292 20.052 650 HO3' DG 24 H3T DG 24 -5.478 20.482 21.932 651 H2' DG 24 H2' DG 24 -6.693 20.509 18.264 652 H2'' DG 24 H2'' DG 24 -5.874 21.973 18.870 653 H1' DG 24 H1' DG 24 -3.918 21.514 17.774 654 H8 DG 24 H8 DG 24 -6.130 18.607 16.576 655 H1 DG 24 H1 DG 24 -4.465 22.997 12.138 656 H21 DG 24 H21 DG 24 -2.852 24.427 14.831 657 H22 DG 24 H22 DG 24 -3.313 24.590 13.139 Start of MODEL 15 1 H ALA 79 H1 ALA 79 -1.799 5.922 9.004 2 HA ALA 79 HA ALA 79 1.133 5.825 9.417 3 HB1 ALA 79 HB1 ALA 79 0.950 3.910 7.799 4 HB2 ALA 79 HB2 ALA 79 0.056 3.602 9.304 5 HB3 ALA 79 HB3 ALA 79 -0.824 4.093 7.839 6 H ARG 80 H ARG 80 2.415 6.161 7.575 7 HA ARG 80 HA ARG 80 1.737 8.407 5.903 8 HB2 ARG 80 HB2 ARG 80 4.065 6.465 5.861 9 HB3 ARG 80 HB3 ARG 80 3.976 7.892 4.818 10 HG2 ARG 80 HG2 ARG 80 3.632 8.136 7.816 11 HG3 ARG 80 HG3 ARG 80 5.241 8.058 7.098 12 HD2 ARG 80 HD2 ARG 80 4.934 10.092 5.900 13 HD3 ARG 80 HD3 ARG 80 3.188 10.080 6.168 14 HE ARG 80 HE ARG 80 5.302 10.815 8.124 15 HH11 ARG 80 HH12 ARG 80 1.814 10.453 7.628 16 HH12 ARG 80 HH11 ARG 80 1.500 11.398 9.048 17 HH21 ARG 80 HH22 ARG 80 4.651 12.093 9.824 18 HH22 ARG 80 HH21 ARG 80 2.955 12.178 10.257 19 H LYS 81 H LYS 81 -0.341 7.235 5.208 20 HA LYS 81 HA LYS 81 -0.577 5.297 3.212 21 HB2 LYS 81 HB2 LYS 81 -2.223 7.756 3.940 22 HB3 LYS 81 HB3 LYS 81 -2.759 6.565 2.769 23 HG2 LYS 81 HG2 LYS 81 -3.236 4.967 4.335 24 HG3 LYS 81 HG3 LYS 81 -1.941 5.459 5.440 25 HD2 LYS 81 HD2 LYS 81 -3.170 7.339 6.254 26 HD3 LYS 81 HD3 LYS 81 -4.438 7.151 5.027 27 HE2 LYS 81 HE2 LYS 81 -5.190 5.073 5.966 28 HE3 LYS 81 HE3 LYS 81 -3.790 4.954 7.036 29 HZ1 LYS 81 HZ1 LYS 81 -5.799 5.762 8.204 30 HZ2 LYS 81 HZ2 LYS 81 -4.589 6.869 8.271 31 HZ3 LYS 81 HZ3 LYS 81 -5.856 7.098 7.258 32 H VAL 82 H VAL 82 -0.329 5.229 1.258 33 HA VAL 82 HA VAL 82 0.881 7.253 -0.456 34 HB VAL 82 HB VAL 82 -0.409 4.560 -1.033 35 HG11 VAL 82 HG11 VAL 82 1.132 6.409 -2.899 36 HG12 VAL 82 HG12 VAL 82 0.864 4.672 -3.212 37 HG13 VAL 82 HG13 VAL 82 -0.516 5.749 -3.098 38 HG21 VAL 82 HG21 VAL 82 1.642 4.482 0.363 39 HG22 VAL 82 HG22 VAL 82 1.814 3.678 -1.205 40 HG23 VAL 82 HG23 VAL 82 2.531 5.281 -0.973 41 H LYS 83 H LYS 83 -0.086 8.692 -1.761 42 HA LYS 83 HA LYS 83 -2.970 8.382 -2.397 43 HB2 LYS 83 HB2 LYS 83 -1.283 10.832 -1.998 44 HB3 LYS 83 HB3 LYS 83 -2.454 10.841 -3.343 45 HG2 LYS 83 HG2 LYS 83 -4.283 10.254 -1.876 46 HG3 LYS 83 HG3 LYS 83 -3.198 10.201 -0.468 47 HD2 LYS 83 HD2 LYS 83 -2.758 12.569 -0.608 48 HD3 LYS 83 HD3 LYS 83 -3.438 12.666 -2.235 49 HE2 LYS 83 HE2 LYS 83 -5.021 13.684 -0.777 50 HE3 LYS 83 HE3 LYS 83 -5.700 12.171 -1.378 51 HZ1 LYS 83 HZ1 LYS 83 -4.545 12.646 1.348 52 HZ2 LYS 83 HZ2 LYS 83 -6.108 12.316 0.992 53 HZ3 LYS 83 HZ3 LYS 83 -4.943 11.167 0.820 54 H GLN 84 H GLN 84 -3.380 7.751 -4.390 55 HA GLN 84 HA GLN 84 -1.216 7.704 -6.404 56 HB2 GLN 84 HB2 GLN 84 -2.170 5.695 -6.846 57 HB3 GLN 84 HB3 GLN 84 -3.665 6.081 -5.983 58 HG2 GLN 84 HG2 GLN 84 -4.463 7.316 -7.924 59 HG3 GLN 84 HG3 GLN 84 -2.951 6.952 -8.810 60 HE21 GLN 84 HE22 GLN 84 -2.481 4.488 -9.102 61 HE22 GLN 84 HE21 GLN 84 -3.899 3.478 -9.324 62 H TYR 85 H TYR 85 -1.471 9.014 -8.152 63 HA TYR 85 HA TYR 85 -3.809 10.888 -8.232 64 HB2 TYR 85 HB2 TYR 85 -0.905 11.621 -8.815 65 HB3 TYR 85 HB3 TYR 85 -2.291 12.688 -8.936 66 HD1 TYR 85 HD1 TYR 85 -3.502 13.449 -6.926 67 HD2 TYR 85 HD2 TYR 85 0.201 11.265 -6.679 68 HE1 TYR 85 HE1 TYR 85 -3.137 14.350 -4.628 69 HE2 TYR 85 HE2 TYR 85 0.580 12.143 -4.386 70 HH TYR 85 HH TYR 85 -0.203 13.620 -2.733 71 H LYS 86 H LYS 86 -4.672 11.124 -10.293 72 HA LYS 86 HA LYS 86 -3.213 9.932 -12.625 73 HB2 LYS 86 HB2 LYS 86 -4.804 8.279 -11.879 74 HB3 LYS 86 HB3 LYS 86 -6.098 9.477 -11.750 75 HG2 LYS 86 HG2 LYS 86 -6.224 9.767 -14.137 76 HG3 LYS 86 HG3 LYS 86 -4.721 8.875 -14.400 77 HD2 LYS 86 HD2 LYS 86 -5.816 6.812 -13.475 78 HD3 LYS 86 HD3 LYS 86 -7.339 7.725 -13.341 79 HE2 LYS 86 HE2 LYS 86 -7.242 8.175 -15.810 80 HE3 LYS 86 HE3 LYS 86 -5.754 7.220 -15.910 81 HZ1 LYS 86 HZ1 LYS 86 -7.712 5.889 -16.501 82 HZ2 LYS 86 HZ2 LYS 86 -7.042 5.270 -15.148 83 HZ3 LYS 86 HZ3 LYS 86 -8.412 6.161 -15.061 84 H ASN 87 H ASN 87 -3.146 11.222 -14.348 85 HA ASN 87 HA ASN 87 -4.432 13.873 -14.072 86 HB2 ASN 87 HB2 ASN 87 -2.050 13.656 -14.327 87 HB3 ASN 87 HB3 ASN 87 -2.228 12.882 -15.893 88 HD21 ASN 87 HD22 ASN 87 -0.845 15.396 -15.173 89 HD22 ASN 87 HD21 ASN 87 -1.684 16.655 -16.076 90 HA PRO 88 HA PRO 88 -7.432 12.388 -17.173 91 HB2 PRO 88 HB2 PRO 88 -9.138 14.561 -17.115 92 HB3 PRO 88 HB3 PRO 88 -9.126 13.233 -15.916 93 HG2 PRO 88 HG2 PRO 88 -7.800 15.946 -15.699 94 HG3 PRO 88 HG3 PRO 88 -8.787 15.086 -14.467 95 HD2 PRO 88 HD2 PRO 88 -6.083 15.058 -14.428 96 HD3 PRO 88 HD3 PRO 88 -7.030 13.612 -13.956 97 H HIS 89 H HIS 89 -5.345 15.170 -17.407 98 HA HIS 89 HA HIS 89 -6.112 15.813 -20.193 99 HB2 HIS 89 HB2 HIS 89 -3.890 16.955 -18.459 100 HB3 HIS 89 HB3 HIS 89 -4.468 17.596 -19.988 101 HD1 HIS 89 HD1 HIS 89 -7.089 18.581 -19.934 102 HD2 HIS 89 HD2 HIS 89 -5.156 17.734 -16.273 103 HE1 HIS 89 HE1 HIS 89 -8.431 19.800 -18.103 104 HE2 HIS 89 HE2 HIS 89 -7.252 19.289 -15.878 105 H THR 90 H THR 90 -3.764 13.756 -18.626 106 HA THR 90 HA THR 90 -2.323 13.369 -21.241 107 HB THR 90 HB THR 90 -0.302 12.987 -19.999 108 HG1 THR 90 HG1 THR 90 -0.334 13.195 -17.726 109 HG21 THR 90 HG21 THR 90 -0.903 15.409 -20.367 110 HG22 THR 90 HG22 THR 90 -1.631 15.424 -18.736 111 HG23 THR 90 HG23 THR 90 0.107 15.128 -18.930 112 H GLY 91 H GLY 91 -3.885 11.705 -18.551 113 HA2 GLY 91 HA2 GLY 91 -4.488 9.479 -18.374 114 HA3 GLY 91 HA3 GLY 91 -3.618 9.090 -19.858 115 H GLU 92 H GLU 92 -1.623 10.859 -17.618 116 HA GLU 92 HA GLU 92 -0.061 8.492 -16.968 117 HB2 GLU 92 HB2 GLU 92 0.301 11.457 -16.556 118 HB3 GLU 92 HB3 GLU 92 1.285 10.292 -15.676 119 HG2 GLU 92 HG2 GLU 92 1.060 10.092 -18.664 120 HG3 GLU 92 HG3 GLU 92 2.184 11.233 -17.887 121 H VAL 93 H VAL 93 0.424 7.951 -14.935 122 HA VAL 93 HA VAL 93 -1.261 8.813 -12.639 123 HB VAL 93 HB VAL 93 -0.479 6.000 -13.317 124 HG11 VAL 93 HG11 VAL 93 -2.447 7.052 -11.208 125 HG12 VAL 93 HG12 VAL 93 -2.248 5.344 -11.627 126 HG13 VAL 93 HG13 VAL 93 -0.918 6.211 -10.880 127 HG21 VAL 93 HG21 VAL 93 -2.950 5.652 -13.838 128 HG22 VAL 93 HG22 VAL 93 -3.135 7.420 -13.747 129 HG23 VAL 93 HG23 VAL 93 -2.103 6.698 -14.985 130 H ILE 94 H ILE 94 -0.365 8.454 -10.657 131 HA ILE 94 HA ILE 94 2.462 7.728 -10.281 132 HB ILE 94 HB ILE 94 1.901 10.014 -8.606 133 HG12 ILE 94 HG12 ILE 94 1.924 10.838 -11.530 134 HG13 ILE 94 HG13 ILE 94 0.492 10.858 -10.482 135 HG21 ILE 94 HG21 ILE 94 4.087 10.709 -9.226 136 HG22 ILE 94 HG22 ILE 94 4.118 8.957 -9.139 137 HG23 ILE 94 HG23 ILE 94 4.041 9.759 -10.736 138 HD11 ILE 94 HD11 ILE 94 1.394 13.070 -10.507 139 HD12 ILE 94 HD12 ILE 94 1.695 12.358 -8.899 140 HD13 ILE 94 HD13 ILE 94 3.013 12.486 -10.091 141 H GLU 95 H GLU 95 2.962 7.681 -7.985 142 HA GLU 95 HA GLU 95 0.810 7.446 -5.988 143 HB2 GLU 95 HB2 GLU 95 2.643 5.230 -6.934 144 HB3 GLU 95 HB3 GLU 95 2.087 5.263 -5.242 145 HG2 GLU 95 HG2 GLU 95 -0.231 5.190 -5.925 146 HG3 GLU 95 HG3 GLU 95 0.225 5.269 -7.634 147 H THR 96 H THR 96 1.502 8.674 -4.331 148 HA THR 96 HA THR 96 4.315 8.466 -3.382 149 HB THR 96 HB THR 96 4.992 10.534 -3.797 150 HG1 THR 96 HG1 THR 96 3.772 12.367 -3.466 151 HG21 THR 96 HG21 THR 96 4.075 11.785 -5.706 152 HG22 THR 96 HG22 THR 96 4.131 10.074 -6.110 153 HG23 THR 96 HG23 THR 96 2.579 10.819 -5.646 154 H LYS 97 H LYS 97 4.564 9.023 -1.151 155 HA LYS 97 HA LYS 97 2.007 9.085 0.411 156 HB2 LYS 97 HB2 LYS 97 4.841 8.781 1.357 157 HB3 LYS 97 HB3 LYS 97 3.398 8.453 2.299 158 HG2 LYS 97 HG2 LYS 97 2.901 6.479 1.032 159 HG3 LYS 97 HG3 LYS 97 4.096 6.868 -0.206 160 HD2 LYS 97 HD2 LYS 97 5.860 6.723 1.690 161 HD3 LYS 97 HD3 LYS 97 4.589 5.928 2.618 162 HE2 LYS 97 HE2 LYS 97 5.904 4.211 1.627 163 HE3 LYS 97 HE3 LYS 97 4.391 4.244 0.711 164 HZ1 LYS 97 HZ1 LYS 97 6.392 4.140 -0.746 165 HZ2 LYS 97 HZ2 LYS 97 5.599 5.549 -1.024 166 HZ3 LYS 97 HZ3 LYS 97 6.956 5.562 -0.143 167 H GLY 98 H GLY 98 3.544 11.384 -1.050 168 HA2 GLY 98 HA2 GLY 98 2.978 13.728 -0.300 169 HA3 GLY 98 HA3 GLY 98 3.857 13.337 1.181 170 H GLY 99 H GLY 99 5.042 15.213 0.570 171 HA2 GLY 99 HA2 GLY 99 7.043 16.107 0.200 172 HA3 GLY 99 HA3 GLY 99 7.612 14.534 -0.331 173 H ASN 100 H ASN 100 8.708 16.722 -1.254 174 HA ASN 100 HA ASN 100 8.071 17.667 -3.851 175 HB2 ASN 100 HB2 ASN 100 9.745 18.769 -2.579 176 HB3 ASN 100 HB3 ASN 100 10.504 17.277 -2.116 177 HD21 ASN 100 HD22 ASN 100 12.386 18.594 -2.578 178 HD22 ASN 100 HD21 ASN 100 13.097 18.235 -4.136 179 H HIS 101 H HIS 101 7.322 16.194 -5.292 180 HA HIS 101 HA HIS 101 9.175 14.054 -6.217 181 HB2 HIS 101 HB2 HIS 101 7.263 13.168 -4.813 182 HB3 HIS 101 HB3 HIS 101 6.139 13.766 -6.026 183 HD1 HIS 101 HD1 HIS 101 9.047 11.151 -5.690 184 HD2 HIS 101 HD2 HIS 101 5.758 12.203 -8.149 185 HE1 HIS 101 HE1 HIS 101 8.768 9.256 -7.381 186 HE2 HIS 101 HE2 HIS 101 6.789 9.895 -8.892 187 H LYS 102 H LYS 102 9.566 14.080 -8.380 188 HA LYS 102 HA LYS 102 9.285 16.423 -9.799 189 HB2 LYS 102 HB2 LYS 102 10.909 14.581 -10.138 190 HB3 LYS 102 HB3 LYS 102 9.717 13.778 -11.175 191 HG2 LYS 102 HG2 LYS 102 9.592 15.786 -12.615 192 HG3 LYS 102 HG3 LYS 102 10.662 16.677 -11.524 193 HD2 LYS 102 HD2 LYS 102 11.432 14.185 -13.064 194 HD3 LYS 102 HD3 LYS 102 11.776 15.863 -13.551 195 HE2 LYS 102 HE2 LYS 102 13.092 16.197 -11.457 196 HE3 LYS 102 HE3 LYS 102 12.795 14.513 -11.006 197 HZ1 LYS 102 HZ1 LYS 102 14.344 15.412 -13.377 198 HZ2 LYS 102 HZ2 LYS 102 14.922 14.693 -12.013 199 HZ3 LYS 102 HZ3 LYS 102 13.986 13.842 -13.047 200 H THR 103 H THR 103 7.437 13.560 -11.036 201 HA THR 103 HA THR 103 5.958 15.083 -12.884 202 HB THR 103 HB THR 103 4.975 12.542 -11.551 203 HG1 THR 103 HG1 THR 103 6.078 11.552 -13.296 204 HG21 THR 103 HG21 THR 103 4.337 14.007 -14.135 205 HG22 THR 103 HG22 THR 103 3.932 12.281 -13.911 206 HG23 THR 103 HG23 THR 103 3.219 13.503 -12.852 207 H LEU 104 H LEU 104 5.095 14.317 -9.530 208 HA LEU 104 HA LEU 104 2.475 15.422 -9.512 209 HB2 LEU 104 HB2 LEU 104 3.451 13.892 -7.805 210 HB3 LEU 104 HB3 LEU 104 4.552 15.169 -7.284 211 HG LEU 104 HG LEU 104 2.692 16.504 -6.445 212 HD11 LEU 104 HD11 LEU 104 0.932 14.182 -7.366 213 HD12 LEU 104 HD12 LEU 104 0.405 15.506 -6.323 214 HD13 LEU 104 HD13 LEU 104 0.886 15.847 -7.992 215 HD21 LEU 104 HD21 LEU 104 2.032 15.030 -4.600 216 HD22 LEU 104 HD22 LEU 104 2.536 13.606 -5.516 217 HD23 LEU 104 HD23 LEU 104 3.744 14.804 -4.978 218 H LYS 105 H LYS 105 5.669 16.988 -9.057 219 HA LYS 105 HA LYS 105 4.563 19.582 -8.393 220 HB2 LYS 105 HB2 LYS 105 6.859 18.924 -7.741 221 HB3 LYS 105 HB3 LYS 105 7.312 18.756 -9.428 222 HG2 LYS 105 HG2 LYS 105 8.195 20.830 -8.559 223 HG3 LYS 105 HG3 LYS 105 7.021 21.154 -9.819 224 HD2 LYS 105 HD2 LYS 105 6.657 22.771 -8.126 225 HD3 LYS 105 HD3 LYS 105 5.304 21.649 -7.997 226 HE2 LYS 105 HE2 LYS 105 6.541 20.472 -6.111 227 HE3 LYS 105 HE3 LYS 105 7.831 21.668 -6.270 228 HZ1 LYS 105 HZ1 LYS 105 5.030 22.147 -5.370 229 HZ2 LYS 105 HZ2 LYS 105 6.380 22.394 -4.534 230 HZ3 LYS 105 HZ3 LYS 105 6.038 23.401 -5.794 231 H GLU 106 H GLU 106 5.364 18.003 -11.502 232 HA GLU 106 HA GLU 106 5.157 20.430 -13.031 233 HB2 GLU 106 HB2 GLU 106 4.508 17.649 -14.042 234 HB3 GLU 106 HB3 GLU 106 5.018 19.079 -14.977 235 HG2 GLU 106 HG2 GLU 106 7.188 18.914 -13.560 236 HG3 GLU 106 HG3 GLU 106 6.541 17.329 -13.088 237 H TRP 107 H TRP 107 2.908 17.833 -12.215 238 HA TRP 107 HA TRP 107 0.639 18.909 -13.585 239 HB2 TRP 107 HB2 TRP 107 0.689 17.245 -11.053 240 HB3 TRP 107 HB3 TRP 107 -0.734 17.571 -12.047 241 HD1 TRP 107 HD1 TRP 107 2.036 16.827 -14.383 242 HE1 TRP 107 HE1 TRP 107 1.960 14.388 -15.142 243 HE3 TRP 107 HE3 TRP 107 -1.397 15.024 -11.029 244 HZ2 TRP 107 HZ2 TRP 107 0.820 11.937 -14.241 245 HZ3 TRP 107 HZ3 TRP 107 -2.051 12.634 -11.113 246 HH2 TRP 107 HH2 TRP 107 -0.904 11.068 -12.659 247 H LYS 108 H LYS 108 1.801 19.653 -10.287 248 HA LYS 108 HA LYS 108 -0.367 21.469 -9.634 249 HB2 LYS 108 HB2 LYS 108 2.510 21.324 -8.622 250 HB3 LYS 108 HB3 LYS 108 1.290 22.449 -8.008 251 HG2 LYS 108 HG2 LYS 108 -0.174 20.496 -7.430 252 HG3 LYS 108 HG3 LYS 108 1.137 19.413 -7.901 253 HD2 LYS 108 HD2 LYS 108 2.628 20.653 -6.248 254 HD3 LYS 108 HD3 LYS 108 1.190 21.537 -5.706 255 HE2 LYS 108 HE2 LYS 108 0.093 19.263 -5.236 256 HE3 LYS 108 HE3 LYS 108 1.625 18.508 -5.666 257 HZ1 LYS 108 HZ1 LYS 108 1.680 18.716 -3.363 258 HZ2 LYS 108 HZ2 LYS 108 2.625 20.001 -3.864 259 HZ3 LYS 108 HZ3 LYS 108 1.102 20.264 -3.343 260 H ALA 109 H ALA 109 2.707 21.909 -11.433 261 HA ALA 109 HA ALA 109 2.543 24.759 -11.560 262 HB1 ALA 109 HB1 ALA 109 4.247 24.525 -13.297 263 HB2 ALA 109 HB2 ALA 109 4.607 23.369 -11.982 264 HB3 ALA 109 HB3 ALA 109 3.872 22.815 -13.509 265 H LYS 110 H LYS 110 1.733 22.155 -13.834 266 HA LYS 110 HA LYS 110 0.913 23.759 -15.882 267 HB2 LYS 110 HB2 LYS 110 0.717 20.812 -15.288 268 HB3 LYS 110 HB3 LYS 110 0.022 21.455 -16.790 269 HG2 LYS 110 HG2 LYS 110 2.222 22.382 -17.434 270 HG3 LYS 110 HG3 LYS 110 2.925 21.827 -15.911 271 HD2 LYS 110 HD2 LYS 110 3.590 20.218 -17.520 272 HD3 LYS 110 HD3 LYS 110 2.301 19.461 -16.593 273 HE2 LYS 110 HE2 LYS 110 1.766 18.902 -18.809 274 HE3 LYS 110 HE3 LYS 110 0.689 20.256 -18.447 275 HZ1 LYS 110 HZ1 LYS 110 2.256 21.730 -19.648 276 HZ2 LYS 110 HZ2 LYS 110 3.259 20.477 -19.956 277 HZ3 LYS 110 HZ3 LYS 110 1.771 20.519 -20.626 278 H TRP 111 H TRP 111 -1.066 22.176 -13.425 279 HA TRP 111 HA TRP 111 -3.534 23.483 -14.539 280 HB2 TRP 111 HB2 TRP 111 -3.337 20.689 -13.398 281 HB3 TRP 111 HB3 TRP 111 -4.809 21.489 -13.916 282 HD1 TRP 111 HD1 TRP 111 -5.079 21.939 -16.591 283 HE1 TRP 111 HE1 TRP 111 -4.134 20.705 -18.637 284 HE3 TRP 111 HE3 TRP 111 -1.363 19.344 -14.287 285 HZ2 TRP 111 HZ2 TRP 111 -1.978 18.852 -19.206 286 HZ3 TRP 111 HZ3 TRP 111 0.220 17.924 -15.623 287 HH2 TRP 111 HH2 TRP 111 -0.123 17.624 -18.045 288 H GLY 112 H GLY 112 -2.189 22.017 -11.517 289 HA2 GLY 112 HA2 GLY 112 -2.064 23.955 -9.807 290 HA3 GLY 112 HA3 GLY 112 -3.812 23.986 -9.915 291 HA PRO 113 HA PRO 113 -2.221 20.736 -6.742 292 HB2 PRO 113 HB2 PRO 113 -2.571 22.151 -4.379 293 HB3 PRO 113 HB3 PRO 113 -1.034 21.971 -5.259 294 HG2 PRO 113 HG2 PRO 113 -2.985 24.269 -5.355 295 HG3 PRO 113 HG3 PRO 113 -1.192 24.317 -5.258 296 HD2 PRO 113 HD2 PRO 113 -2.531 24.708 -7.590 297 HD3 PRO 113 HD3 PRO 113 -0.967 23.833 -7.549 298 H GLU 114 H GLU 114 -4.934 23.081 -6.669 299 HA GLU 114 HA GLU 114 -6.753 21.557 -5.094 300 HB2 GLU 114 HB2 GLU 114 -7.498 23.254 -7.484 301 HB3 GLU 114 HB3 GLU 114 -8.430 22.907 -6.000 302 HG2 GLU 114 HG2 GLU 114 -6.639 24.204 -4.739 303 HG3 GLU 114 HG3 GLU 114 -5.973 24.644 -6.322 304 H ALA 115 H ALA 115 -6.179 21.693 -8.532 305 HA ALA 115 HA ALA 115 -8.078 19.798 -9.449 306 HB1 ALA 115 HB1 ALA 115 -6.849 19.878 -11.507 307 HB2 ALA 115 HB2 ALA 115 -6.674 21.500 -10.782 308 HB3 ALA 115 HB3 ALA 115 -5.335 20.298 -10.706 309 H VAL 116 H VAL 116 -4.596 19.495 -8.872 310 HA VAL 116 HA VAL 116 -4.252 16.849 -9.381 311 HB VAL 116 HB VAL 116 -2.784 18.844 -7.669 312 HG11 VAL 116 HG11 VAL 116 -1.711 16.077 -8.303 313 HG12 VAL 116 HG12 VAL 116 -0.810 17.445 -7.586 314 HG13 VAL 116 HG13 VAL 116 -2.113 16.692 -6.683 315 HG21 VAL 116 HG21 VAL 116 -2.106 17.492 -10.298 316 HG22 VAL 116 HG22 VAL 116 -2.919 19.055 -10.197 317 HG23 VAL 116 HG23 VAL 116 -1.266 18.883 -9.559 318 H GLU 117 H GLU 117 -4.927 18.302 -6.161 319 HA GLU 117 HA GLU 117 -4.927 15.775 -4.743 320 HB2 GLU 117 HB2 GLU 117 -6.149 18.493 -4.092 321 HB3 GLU 117 HB3 GLU 117 -6.181 17.104 -3.003 322 HG2 GLU 117 HG2 GLU 117 -3.709 17.035 -2.978 323 HG3 GLU 117 HG3 GLU 117 -3.645 18.450 -4.036 324 H SER 118 H SER 118 -7.438 17.586 -6.507 325 HA SER 118 HA SER 118 -9.685 16.072 -5.497 326 HB2 SER 118 HB2 SER 118 -9.885 18.312 -6.548 327 HB3 SER 118 HB3 SER 118 -9.457 17.596 -8.118 328 HG SER 118 HG SER 118 -11.751 17.765 -7.776 329 H TRP 119 H TRP 119 -7.470 15.620 -8.233 330 HA TRP 119 HA TRP 119 -8.820 13.351 -9.385 331 HB2 TRP 119 HB2 TRP 119 -5.864 13.992 -9.534 332 HB3 TRP 119 HB3 TRP 119 -6.824 13.024 -10.636 333 HD1 TRP 119 HD1 TRP 119 -9.150 15.452 -10.857 334 HE1 TRP 119 HE1 TRP 119 -8.623 17.411 -12.420 335 HE3 TRP 119 HE3 TRP 119 -4.088 14.788 -11.308 336 HZ2 TRP 119 HZ2 TRP 119 -6.297 18.576 -13.671 337 HZ3 TRP 119 HZ3 TRP 119 -2.746 16.318 -12.739 338 HH2 TRP 119 HH2 TRP 119 -3.833 18.212 -13.913 339 H ALA 120 H ALA 120 -7.056 13.517 -6.393 340 HA ALA 120 HA ALA 120 -5.563 11.159 -6.684 341 HB1 ALA 120 HB1 ALA 120 -5.143 13.110 -5.099 342 HB2 ALA 120 HB2 ALA 120 -6.347 12.374 -4.023 343 HB3 ALA 120 HB3 ALA 120 -4.868 11.473 -4.453 344 H THR 121 H THR 121 -5.537 9.548 -5.192 345 HA THR 121 HA THR 121 -8.027 8.019 -4.397 346 HB THR 121 HB THR 121 -5.658 7.079 -6.027 347 HG1 THR 121 HG1 THR 121 -7.284 6.686 -7.616 348 HG21 THR 121 HG21 THR 121 -6.381 5.253 -4.597 349 HG22 THR 121 HG22 THR 121 -8.093 5.708 -4.836 350 HG23 THR 121 HG23 THR 121 -7.150 4.952 -6.159 351 H LEU 122 H LEU 122 -7.703 6.788 -2.569 352 HA LEU 122 HA LEU 122 -5.114 7.185 -1.097 353 HB2 LEU 122 HB2 LEU 122 -7.414 8.098 -0.323 354 HB3 LEU 122 HB3 LEU 122 -7.779 6.437 0.126 355 HG LEU 122 HG LEU 122 -5.395 8.092 1.106 356 HD11 LEU 122 HD11 LEU 122 -7.588 8.918 1.931 357 HD12 LEU 122 HD12 LEU 122 -7.965 7.289 2.542 358 HD13 LEU 122 HD13 LEU 122 -6.621 8.224 3.234 359 HD21 LEU 122 HD21 LEU 122 -5.280 6.301 2.909 360 HD22 LEU 122 HD22 LEU 122 -6.335 5.308 1.880 361 HD23 LEU 122 HD23 LEU 122 -4.724 5.837 1.311 362 H LEU 123 H LEU 123 -3.817 5.651 -0.932 363 HA LEU 123 HA LEU 123 -4.629 2.796 -1.145 364 HB2 LEU 123 HB2 LEU 123 -2.146 4.200 -2.221 365 HB3 LEU 123 HB3 LEU 123 -2.501 2.480 -2.354 366 HG LEU 123 HG LEU 123 -4.003 4.786 -3.678 367 HD11 LEU 123 HD11 LEU 123 -2.130 2.631 -4.746 368 HD12 LEU 123 HD12 LEU 123 -3.044 3.772 -5.750 369 HD13 LEU 123 HD13 LEU 123 -1.810 4.370 -4.623 370 HD21 LEU 123 HD21 LEU 123 -5.185 3.024 -4.972 371 HD22 LEU 123 HD22 LEU 123 -4.394 1.763 -3.993 372 HD23 LEU 123 HD23 LEU 123 -5.556 2.872 -3.251 373 H GLY 124 H GLY 124 -3.423 1.391 -0.085 374 HA2 GLY 124 HA2 GLY 124 -2.469 1.961 2.563 375 HA3 GLY 124 HA3 GLY 124 -2.327 0.416 1.737 376 H HIS 125 H HIS 125 -0.370 0.724 3.304 377 HA HIS 125 HA HIS 125 2.023 1.352 1.673 378 HB2 HIS 125 HB2 HIS 125 1.678 3.319 2.987 379 HB3 HIS 125 HB3 HIS 125 1.557 2.376 4.480 380 HD1 HIS 125 HD1 HIS 125 4.393 0.790 3.001 381 HD2 HIS 125 HD2 HIS 125 3.597 4.531 4.747 382 HE1 HIS 125 HE1 HIS 125 6.694 1.754 3.750 383 HE2 HIS 125 HE2 HIS 125 6.192 4.047 4.838 384 H5' DC 1 H5' DC 1 -5.195 28.857 8.007 385 H5'' DC 1 H5'' DC 1 -3.848 29.694 7.249 386 H4' DC 1 H4' DC 1 -3.463 29.608 9.608 387 H3' DC 1 H3' DC 1 -1.655 28.565 7.746 388 H2' DC 1 H2' DC 1 -1.709 26.392 8.289 389 H2'' DC 1 H2'' DC 1 -0.684 26.806 9.648 390 H1' DC 1 H1' DC 1 -2.392 26.925 11.179 391 H41 DC 1 H41 DC 1 -5.140 21.212 9.247 392 H42 DC 1 H42 DC 1 -4.968 21.203 11.008 393 H5 DC 1 H5 DC 1 -4.432 23.160 7.896 394 H6 DC 1 H6 DC 1 -3.517 25.399 8.055 395 HO5' DC 1 H5T DC 1 -4.499 27.786 6.056 396 H5' DG 2 H5' DG 2 -0.162 28.844 12.270 397 H5'' DG 2 H5'' DG 2 1.392 29.679 12.263 398 H4' DG 2 H4' DG 2 1.535 28.123 13.998 399 H3' DG 2 H3' DG 2 3.334 27.871 11.845 400 H2' DG 2 H2' DG 2 2.342 25.954 10.986 401 H2'' DG 2 H2'' DG 2 3.465 25.156 12.096 402 H1' DG 2 H1' DG 2 1.824 24.984 13.828 403 H8 DG 2 H8 DG 2 0.463 25.089 10.245 404 H1 DG 2 H1 DG 2 -1.278 19.918 13.675 405 H21 DG 2 H21 DG 2 0.589 21.424 16.125 406 H22 DG 2 H22 DG 2 -0.379 20.029 15.637 407 H5' DC 3 H5' DC 3 3.969 25.360 15.780 408 H5'' DC 3 H5'' DC 3 5.671 25.378 16.238 409 H4' DC 3 H4' DC 3 4.689 23.303 16.914 410 H3' DC 3 H3' DC 3 6.869 23.349 14.982 411 H2' DC 3 H2' DC 3 6.070 21.808 13.549 412 H2'' DC 3 H2'' DC 3 6.109 20.591 14.833 413 H1' DC 3 H1' DC 3 3.913 20.804 15.369 414 H41 DC 3 H41 DC 3 1.556 21.337 9.205 415 H42 DC 3 H42 DC 3 0.982 19.835 9.940 416 H5 DC 3 H5 DC 3 3.177 22.776 10.352 417 H6 DC 3 H6 DC 3 4.326 23.110 12.531 418 H5' DA 4 H5' DA 4 6.294 19.562 17.354 419 H5'' DA 4 H5'' DA 4 7.776 18.917 18.058 420 H4' DA 4 H4' DA 4 6.527 17.093 17.258 421 H3' DA 4 H3' DA 4 9.100 17.622 16.083 422 H2' DA 4 H2' DA 4 8.280 17.916 13.969 423 H2'' DA 4 H2'' DA 4 8.313 16.155 13.882 424 H1' DA 4 H1' DA 4 6.031 15.936 14.581 425 H8 DA 4 H8 DA 4 6.895 19.275 12.928 426 H61 DA 4 H61 DA 4 2.575 17.610 8.721 427 H62 DA 4 H62 DA 4 3.637 18.922 9.215 428 H2 DA 4 H2 DA 4 2.977 14.355 11.565 429 H5' DT 5 H5' DT 5 7.298 13.429 15.428 430 H5'' DT 5 H5'' DT 5 8.491 12.178 15.789 431 H4' DT 5 H4' DT 5 7.194 11.443 13.940 432 H3' DT 5 H3' DT 5 10.026 11.803 13.648 433 H2' DT 5 H2' DT 5 9.864 13.406 12.017 434 H2'' DT 5 H2'' DT 5 9.637 12.033 10.923 435 H1' DT 5 H1' DT 5 7.271 12.099 11.091 436 H3 DT 5 H3 DT 5 5.625 15.273 8.317 437 H71 DT 5 H71 DT 5 8.297 18.531 10.732 438 H72 DT 5 H72 DT 5 9.634 17.496 11.291 439 H73 DT 5 H73 DT 5 9.481 17.918 9.572 440 H6 DT 5 H6 DT 5 9.065 15.330 11.719 441 H5' DA 6 H5' DA 6 7.296 9.082 11.017 442 H5'' DA 6 H5'' DA 6 8.114 7.541 10.756 443 H4' DA 6 H4' DA 6 6.585 7.905 8.991 444 H3' DA 6 H3' DA 6 9.251 7.329 8.441 445 H2' DA 6 H2' DA 6 9.884 9.478 7.924 446 H2'' DA 6 H2'' DA 6 9.407 8.987 6.304 447 H1' DA 6 H1' DA 6 7.292 9.989 6.448 448 H8 DA 6 H8 DA 6 9.946 11.453 8.803 449 H61 DA 6 H61 DA 6 8.370 16.846 6.024 450 H62 DA 6 H62 DA 6 9.549 16.132 7.122 451 H2 DA 6 H2 DA 6 5.764 13.757 4.503 452 H5' DT 7 H5' DT 7 6.480 8.143 5.141 453 H5'' DT 7 H5'' DT 7 6.442 6.985 3.819 454 H4' DT 7 H4' DT 7 6.124 9.213 2.963 455 H3' DT 7 H3' DT 7 8.381 7.646 2.065 456 H2' DT 7 H2' DT 7 9.904 9.264 2.743 457 H2'' DT 7 H2'' DT 7 9.459 10.059 1.216 458 H1' DT 7 H1' DT 7 7.630 11.271 2.267 459 H3 DT 7 H3 DT 7 9.939 14.986 3.352 460 H71 DT 7 H71 DT 7 13.142 12.102 5.514 461 H72 DT 7 H72 DT 7 12.050 12.415 6.865 462 H73 DT 7 H73 DT 7 12.089 10.801 6.115 463 H6 DT 7 H6 DT 7 10.304 10.363 4.660 464 H5' DA 8 H5' DA 8 7.348 10.843 -1.437 465 H5'' DA 8 H5'' DA 8 7.495 9.884 -2.907 466 H4' DA 8 H4' DA 8 8.704 11.838 -3.342 467 H3' DA 8 H3' DA 8 10.382 9.451 -2.954 468 H2' DA 8 H2' DA 8 11.809 10.452 -1.519 469 H2'' DA 8 H2'' DA 8 12.397 11.384 -2.925 470 H1' DA 8 H1' DA 8 11.002 13.206 -2.501 471 H8 DA 8 H8 DA 8 11.477 11.070 0.768 472 H61 DA 8 H61 DA 8 13.485 16.622 2.963 473 H62 DA 8 H62 DA 8 13.164 14.982 3.513 474 H2 DA 8 H2 DA 8 12.382 17.157 -1.077 475 H5' DT 9 H5' DT 9 11.049 12.861 -6.079 476 H5'' DT 9 H5'' DT 9 11.745 12.135 -7.538 477 H4' DT 9 H4' DT 9 12.394 14.435 -7.454 478 H3' DT 9 H3' DT 9 14.318 12.356 -7.494 479 H2' DT 9 H2' DT 9 15.276 12.740 -5.501 480 H2'' DT 9 H2'' DT 9 16.115 14.079 -6.266 481 H1' DT 9 H1' DT 9 14.610 15.698 -5.563 482 H3 DT 9 H3 DT 9 15.480 16.436 -1.195 483 H71 DT 9 H71 DT 9 14.595 11.087 -1.870 484 H72 DT 9 H72 DT 9 15.957 11.627 -0.867 485 H73 DT 9 H73 DT 9 14.310 11.851 -0.293 486 H6 DT 9 H6 DT 9 14.247 12.491 -3.689 487 H5' DG 10 H5' DG 10 15.197 16.817 -8.106 488 H5'' DG 10 H5'' DG 10 16.103 17.022 -9.605 489 H4' DG 10 H4' DG 10 16.619 18.869 -8.221 490 H3' DG 10 H3' DG 10 18.638 17.212 -9.203 491 H2' DG 10 H2' DG 10 19.038 16.122 -7.186 492 H2'' DG 10 H2'' DG 10 20.189 17.440 -6.964 493 H1' DG 10 H1' DG 10 18.655 18.753 -5.699 494 H8 DG 10 H8 DG 10 18.001 14.987 -5.634 495 H1 DG 10 H1 DG 10 19.203 17.625 0.115 496 H21 DG 10 H21 DG 10 19.601 20.485 -1.742 497 H22 DG 10 H22 DG 10 19.716 19.698 -0.163 498 H5' DC 11 H5' DC 11 19.831 21.263 -6.997 499 H5'' DC 11 H5'' DC 11 20.918 22.098 -8.102 500 H4' DC 11 H4' DC 11 21.401 22.816 -5.894 501 H3' DC 11 H3' DC 11 23.386 21.766 -7.539 502 H2' DC 11 H2' DC 11 23.669 19.745 -6.467 503 H2'' DC 11 H2'' DC 11 24.742 20.656 -5.403 504 H1' DC 11 H1' DC 11 23.139 21.000 -3.772 505 H41 DC 11 H41 DC 11 21.294 14.661 -3.341 506 H42 DC 11 H42 DC 11 21.604 15.297 -1.719 507 H5 DC 11 H5 DC 11 21.636 16.020 -5.323 508 H6 DC 11 H6 DC 11 22.177 18.326 -6.075 509 H5' DG 12 H5' DG 12 25.246 23.228 -3.569 510 H5'' DG 12 H5'' DG 12 26.822 24.002 -3.771 511 H4' DG 12 H4' DG 12 27.009 22.389 -2.017 512 H3' DG 12 H3' DG 12 28.331 21.492 -4.576 513 HO3' DG 12 H3T DG 12 29.473 23.026 -3.272 514 H2' DG 12 H2' DG 12 28.435 19.354 -3.922 515 H2'' DG 12 H2'' DG 12 28.998 19.782 -2.287 516 H1' DG 12 H1' DG 12 26.893 19.791 -1.396 517 H8 DG 12 H8 DG 12 26.206 18.701 -5.017 518 H1 DG 12 H1 DG 12 24.767 14.410 -0.422 519 H21 DG 12 H21 DG 12 26.103 16.831 1.637 520 H22 DG 12 H22 DG 12 25.498 15.179 1.512 521 H5' DC 13 H5' DC 13 25.106 7.785 4.642 522 H5'' DC 13 H5'' DC 13 24.446 7.876 6.271 523 H4' DC 13 H4' DC 13 25.862 9.773 5.880 524 H3' DC 13 H3' DC 13 23.230 9.995 6.731 525 H2' DC 13 H2' DC 13 22.349 10.858 4.760 526 H2'' DC 13 H2'' DC 13 22.867 12.405 5.459 527 H1' DC 13 H1' DC 13 24.922 12.395 4.348 528 H41 DC 13 H41 DC 13 22.249 11.748 -1.664 529 H42 DC 13 H42 DC 13 23.451 13.043 -1.712 530 H5 DC 13 H5 DC 13 21.754 10.511 0.397 531 H6 DC 13 H6 DC 13 22.427 10.247 2.722 532 HO5' DC 13 H5T DC 13 22.841 7.231 4.688 533 H5' DG 14 H5' DG 14 25.870 14.203 6.971 534 H5'' DG 14 H5'' DG 14 25.582 14.646 8.650 535 H4' DG 14 H4' DG 14 25.887 16.664 7.553 536 H3' DG 14 H3' DG 14 23.445 16.240 8.807 537 H2' DG 14 H2' DG 14 22.195 15.853 6.869 538 H2'' DG 14 H2'' DG 14 22.011 17.588 6.895 539 H1' DG 14 H1' DG 14 23.702 17.971 5.346 540 H8 DG 14 H8 DG 14 22.221 14.448 5.258 541 H1 DG 14 H1 DG 14 22.442 17.460 -0.433 542 H21 DG 14 H21 DG 14 23.920 19.959 1.401 543 H22 DG 14 H22 DG 14 23.305 19.426 -0.167 544 H5' DC 15 H5' DC 15 23.951 20.299 6.776 545 H5'' DC 15 H5'' DC 15 23.234 21.702 7.576 546 H4' DC 15 H4' DC 15 22.797 21.739 5.191 547 H3' DC 15 H3' DC 15 20.462 21.419 7.024 548 H2' DC 15 H2' DC 15 19.165 20.455 5.461 549 H2'' DC 15 H2'' DC 15 19.510 21.744 4.283 550 H1' DC 15 H1' DC 15 21.247 20.671 3.307 551 H41 DC 15 H41 DC 15 18.539 14.654 3.076 552 H42 DC 15 H42 DC 15 18.560 15.370 1.459 553 H5 DC 15 H5 DC 15 19.221 15.965 5.052 554 H6 DC 15 H6 DC 15 20.211 18.131 5.734 555 H5' DA 16 H5' DA 16 20.572 23.870 3.348 556 H5'' DA 16 H5'' DA 16 19.983 25.521 3.517 557 H4' DA 16 H4' DA 16 19.446 24.814 1.343 558 H3' DA 16 H3' DA 16 17.385 25.567 3.138 559 H2' DA 16 H2' DA 16 16.532 23.431 3.331 560 H2'' DA 16 H2'' DA 16 15.572 23.909 1.933 561 H1' DA 16 H1' DA 16 17.136 22.963 0.372 562 H8 DA 16 H8 DA 16 17.227 21.412 3.858 563 H61 DA 16 H61 DA 16 15.769 16.100 0.878 564 H62 DA 16 H62 DA 16 16.278 16.746 2.432 565 H2 DA 16 H2 DA 16 15.572 19.321 -1.997 566 H5' DT 17 H5' DT 17 15.906 24.930 -1.166 567 H5'' DT 17 H5'' DT 17 14.818 26.210 -1.706 568 H4' DT 17 H4' DT 17 13.952 24.125 -2.457 569 H3' DT 17 H3' DT 17 12.396 25.732 -0.622 570 H2' DT 17 H2' DT 17 12.130 24.054 0.908 571 H2'' DT 17 H2'' DT 17 10.907 23.401 -0.192 572 H1' DT 17 H1' DT 17 12.477 22.033 -1.352 573 H3 DT 17 H3 DT 17 12.948 18.238 1.048 574 H71 DT 17 H71 DT 17 13.791 22.455 4.379 575 H72 DT 17 H72 DT 17 12.883 21.048 4.977 576 H73 DT 17 H73 DT 17 14.622 20.906 4.686 577 H6 DT 17 H6 DT 17 13.386 22.891 2.174 578 H5' DA 18 H5' DA 18 10.388 22.480 -2.913 579 H5'' DA 18 H5'' DA 18 9.023 23.085 -3.852 580 H4' DA 18 H4' DA 18 8.363 20.958 -3.195 581 H3' DA 18 H3' DA 18 6.941 23.108 -1.792 582 H2' DA 18 H2' DA 18 7.418 22.299 0.257 583 H2'' DA 18 H2'' DA 18 6.144 21.113 -0.093 584 H1' DA 18 H1' DA 18 7.675 19.499 -0.851 585 H8 DA 18 H8 DA 18 8.995 21.934 1.820 586 H61 DA 18 H61 DA 18 10.989 16.555 4.465 587 H62 DA 18 H62 DA 18 10.842 18.279 4.814 588 H2 DA 18 H2 DA 18 9.610 15.669 0.539 589 H5' DT 19 H5' DT 19 5.691 18.805 -2.336 590 H5'' DT 19 H5'' DT 19 4.128 18.778 -3.163 591 H4' DT 19 H4' DT 19 3.904 16.974 -1.688 592 H3' DT 19 H3' DT 19 2.333 19.272 -0.990 593 H2' DT 19 H2' DT 19 3.663 19.852 0.805 594 H2'' DT 19 H2'' DT 19 2.531 18.749 1.646 595 H1' DT 19 H1' DT 19 3.930 16.821 1.198 596 H3 DT 19 H3 DT 19 6.940 16.406 4.473 597 H71 DT 19 H71 DT 19 7.742 21.135 4.319 598 H72 DT 19 H72 DT 19 6.468 21.691 3.219 599 H73 DT 19 H73 DT 19 6.086 21.228 4.901 600 H6 DT 19 H6 DT 19 5.382 20.132 1.863 601 H5' DA 20 H5' DA 20 -1.328 15.398 -0.003 602 H5'' DA 20 H5'' DA 20 -0.011 16.154 0.870 603 H4' DA 20 H4' DA 20 0.090 13.210 0.112 604 H3' DA 20 H3' DA 20 -1.869 14.353 1.709 605 H2' DA 20 H2' DA 20 -0.440 15.428 3.163 606 H2'' DA 20 H2'' DA 20 -0.583 13.909 4.065 607 H1' DA 20 H1' DA 20 1.440 13.041 3.238 608 H8 DA 20 H8 DA 20 1.703 16.804 2.339 609 H61 DA 20 H61 DA 20 5.222 17.314 7.433 610 H62 DA 20 H62 DA 20 4.490 18.210 6.102 611 H2 DA 20 H2 DA 20 3.828 13.207 7.238 612 H5' DT 21 H5' DT 21 -0.139 11.033 4.200 613 H5'' DT 21 H5'' DT 21 -1.425 9.822 4.187 614 H4' DT 21 H4' DT 21 -0.494 9.545 6.284 615 H3' DT 21 H3' DT 21 -3.104 10.436 6.248 616 H2' DT 21 H2' DT 21 -2.720 12.656 6.778 617 H2'' DT 21 H2'' DT 21 -2.809 12.021 8.436 618 H1' DT 21 H1' DT 21 -0.533 11.824 8.676 619 H3 DT 21 H3 DT 21 1.892 15.621 9.048 620 H71 DT 21 H71 DT 21 -1.729 16.316 5.017 621 H72 DT 21 H72 DT 21 -1.327 17.648 6.118 622 H73 DT 21 H73 DT 21 -0.140 17.121 4.919 623 H6 DT 21 H6 DT 21 -1.575 14.222 5.975 624 H5' DG 22 H5' DG 22 -1.105 9.529 10.324 625 H5'' DG 22 H5'' DG 22 -2.206 8.674 11.425 626 H4' DG 22 H4' DG 22 -0.971 10.230 12.719 627 H3' DG 22 H3' DG 22 -3.818 10.501 12.559 628 H2' DG 22 H2' DG 22 -3.693 12.574 11.510 629 H2'' DG 22 H2'' DG 22 -3.561 13.157 13.191 630 H1' DG 22 H1' DG 22 -1.152 13.054 13.122 631 H8 DG 22 H8 DG 22 -2.902 13.873 9.805 632 H1 DG 22 H1 DG 22 1.119 18.375 12.084 633 H21 DG 22 H21 DG 22 1.503 16.117 14.646 634 H22 DG 22 H22 DG 22 1.892 17.716 14.006 635 H5' DC 23 H5' DC 23 -1.096 12.177 16.051 636 H5'' DC 23 H5'' DC 23 -1.874 11.629 17.536 637 H4' DC 23 H4' DC 23 -0.557 13.503 18.088 638 H3' DC 23 H3' DC 23 -3.301 13.481 18.607 639 H2' DC 23 H2' DC 23 -3.954 15.028 17.041 640 H2'' DC 23 H2'' DC 23 -3.494 16.219 18.240 641 H1' DC 23 H1' DC 23 -1.392 16.600 17.354 642 H41 DC 23 H41 DC 23 -3.822 17.610 11.279 643 H42 DC 23 H42 DC 23 -2.800 18.976 11.737 644 H5 DC 23 H5 DC 23 -4.163 15.710 12.778 645 H6 DC 23 H6 DC 23 -3.503 14.787 14.988 646 H5' DG 24 H5' DG 24 -1.485 17.284 20.445 647 H5'' DG 24 H5'' DG 24 -2.205 17.713 21.997 648 H4' DG 24 H4' DG 24 -2.243 19.659 20.651 649 H3' DG 24 H3' DG 24 -4.978 18.391 20.813 650 HO3' DG 24 H3T DG 24 -4.255 19.550 22.680 651 H2' DG 24 H2' DG 24 -5.758 19.628 19.121 652 H2'' DG 24 H2'' DG 24 -4.981 21.117 19.716 653 H1' DG 24 H1' DG 24 -3.084 20.810 18.468 654 H8 DG 24 H8 DG 24 -5.251 17.852 17.326 655 H1 DG 24 H1 DG 24 -4.086 22.437 12.932 656 H21 DG 24 H21 DG 24 -2.332 23.854 15.543 657 H22 DG 24 H22 DG 24 -2.916 24.041 13.890 Start of MODEL 16 1 H ALA 79 H1 ALA 79 -1.765 6.375 9.108 2 HA ALA 79 HA ALA 79 1.125 5.801 9.444 3 HB1 ALA 79 HB1 ALA 79 -0.273 3.775 9.383 4 HB2 ALA 79 HB2 ALA 79 -1.134 4.390 7.955 5 HB3 ALA 79 HB3 ALA 79 0.595 3.936 7.842 6 H ARG 80 H ARG 80 2.390 5.938 7.563 7 HA ARG 80 HA ARG 80 1.942 8.210 5.841 8 HB2 ARG 80 HB2 ARG 80 4.057 6.034 5.857 9 HB3 ARG 80 HB3 ARG 80 4.107 7.427 4.771 10 HG2 ARG 80 HG2 ARG 80 3.817 7.806 7.764 11 HG3 ARG 80 HG3 ARG 80 5.411 7.571 7.030 12 HD2 ARG 80 HD2 ARG 80 5.340 9.610 5.889 13 HD3 ARG 80 HD3 ARG 80 3.584 9.681 5.916 14 HE ARG 80 HE ARG 80 5.448 10.365 8.140 15 HH11 ARG 80 HH11 ARG 80 2.113 10.435 6.971 16 HH12 ARG 80 HH12 ARG 80 1.644 11.501 8.260 17 HH21 ARG 80 HH22 ARG 80 4.649 11.925 9.590 18 HH22 ARG 80 HH21 ARG 80 2.923 12.195 9.670 19 H LYS 81 H LYS 81 -0.259 7.166 5.268 20 HA LYS 81 HA LYS 81 -0.702 5.209 3.314 21 HB2 LYS 81 HB2 LYS 81 -2.158 7.770 4.109 22 HB3 LYS 81 HB3 LYS 81 -2.817 6.645 2.938 23 HG2 LYS 81 HG2 LYS 81 -3.278 5.009 4.488 24 HG3 LYS 81 HG3 LYS 81 -2.009 5.528 5.624 25 HD2 LYS 81 HD2 LYS 81 -3.269 7.442 6.326 26 HD3 LYS 81 HD3 LYS 81 -4.520 7.168 5.098 27 HE2 LYS 81 HE2 LYS 81 -5.250 5.121 6.143 28 HE3 LYS 81 HE3 LYS 81 -3.850 5.079 7.217 29 HZ1 LYS 81 HZ1 LYS 81 -5.881 5.907 8.335 30 HZ2 LYS 81 HZ2 LYS 81 -4.670 7.013 8.375 31 HZ3 LYS 81 HZ3 LYS 81 -5.922 7.212 7.339 32 H VAL 82 H VAL 82 -0.476 5.107 1.347 33 HA VAL 82 HA VAL 82 0.749 7.107 -0.385 34 HB VAL 82 HB VAL 82 -0.548 4.416 -0.989 35 HG11 VAL 82 HG11 VAL 82 -0.622 5.594 -3.049 36 HG12 VAL 82 HG12 VAL 82 1.016 6.270 -2.829 37 HG13 VAL 82 HG13 VAL 82 0.783 4.538 -3.142 38 HG21 VAL 82 HG21 VAL 82 1.465 4.296 0.450 39 HG22 VAL 82 HG22 VAL 82 1.689 3.536 -1.134 40 HG23 VAL 82 HG23 VAL 82 2.386 5.138 -0.823 41 H LYS 83 H LYS 83 -0.193 8.543 -1.709 42 HA LYS 83 HA LYS 83 -3.073 8.250 -2.368 43 HB2 LYS 83 HB2 LYS 83 -1.382 10.690 -1.937 44 HB3 LYS 83 HB3 LYS 83 -2.536 10.715 -3.292 45 HG2 LYS 83 HG2 LYS 83 -4.389 10.153 -1.854 46 HG3 LYS 83 HG3 LYS 83 -3.328 10.084 -0.429 47 HD2 LYS 83 HD2 LYS 83 -2.857 12.453 -0.567 48 HD3 LYS 83 HD3 LYS 83 -3.519 12.551 -2.202 49 HE2 LYS 83 HE2 LYS 83 -5.169 13.543 -0.839 50 HE3 LYS 83 HE3 LYS 83 -5.786 11.968 -1.330 51 HZ1 LYS 83 HZ1 LYS 83 -4.706 12.756 1.344 52 HZ2 LYS 83 HZ2 LYS 83 -6.198 12.163 1.009 53 HZ3 LYS 83 HZ3 LYS 83 -4.840 11.203 0.963 54 H GLN 84 H GLN 84 -3.482 7.698 -4.399 55 HA GLN 84 HA GLN 84 -1.296 7.660 -6.386 56 HB2 GLN 84 HB2 GLN 84 -2.250 5.674 -6.869 57 HB3 GLN 84 HB3 GLN 84 -3.747 6.041 -6.004 58 HG2 GLN 84 HG2 GLN 84 -4.538 7.308 -7.943 59 HG3 GLN 84 HG3 GLN 84 -3.023 6.947 -8.821 60 HE21 GLN 84 HE21 GLN 84 -2.552 4.482 -9.111 61 HE22 GLN 84 HE22 GLN 84 -3.964 3.471 -9.354 62 H TYR 85 H TYR 85 -1.537 8.983 -8.134 63 HA TYR 85 HA TYR 85 -3.860 10.872 -8.221 64 HB2 TYR 85 HB2 TYR 85 -0.966 11.632 -8.770 65 HB3 TYR 85 HB3 TYR 85 -2.369 12.684 -8.850 66 HD1 TYR 85 HD1 TYR 85 -3.501 13.482 -6.848 67 HD2 TYR 85 HD2 TYR 85 0.096 11.133 -6.612 68 HE1 TYR 85 HE1 TYR 85 -3.124 14.316 -4.522 69 HE2 TYR 85 HE2 TYR 85 0.491 11.941 -4.299 70 HH TYR 85 HH TYR 85 -0.235 13.408 -2.623 71 H LYS 86 H LYS 86 -4.634 11.217 -10.315 72 HA LYS 86 HA LYS 86 -3.171 10.015 -12.628 73 HB2 LYS 86 HB2 LYS 86 -4.825 8.389 -11.926 74 HB3 LYS 86 HB3 LYS 86 -6.090 9.622 -11.838 75 HG2 LYS 86 HG2 LYS 86 -6.130 9.912 -14.230 76 HG3 LYS 86 HG3 LYS 86 -4.646 8.961 -14.444 77 HD2 LYS 86 HD2 LYS 86 -5.840 6.947 -13.550 78 HD3 LYS 86 HD3 LYS 86 -7.329 7.914 -13.437 79 HE2 LYS 86 HE2 LYS 86 -7.172 8.361 -15.906 80 HE3 LYS 86 HE3 LYS 86 -5.729 7.343 -15.984 81 HZ1 LYS 86 HZ1 LYS 86 -8.437 6.398 -15.168 82 HZ2 LYS 86 HZ2 LYS 86 -7.737 6.094 -16.608 83 HZ3 LYS 86 HZ3 LYS 86 -7.103 5.451 -15.249 84 H ASN 87 H ASN 87 -3.206 11.233 -14.439 85 HA ASN 87 HA ASN 87 -4.409 13.947 -14.165 86 HB2 ASN 87 HB2 ASN 87 -2.027 13.677 -14.320 87 HB3 ASN 87 HB3 ASN 87 -2.162 12.910 -15.895 88 HD21 ASN 87 HD22 ASN 87 -0.700 15.336 -15.219 89 HD22 ASN 87 HD21 ASN 87 -1.484 16.647 -16.097 90 HA PRO 88 HA PRO 88 -7.509 12.681 -17.272 91 HB2 PRO 88 HB2 PRO 88 -8.100 15.628 -16.970 92 HB3 PRO 88 HB3 PRO 88 -9.243 14.251 -17.062 93 HG2 PRO 88 HG2 PRO 88 -8.656 15.386 -14.667 94 HG3 PRO 88 HG3 PRO 88 -8.756 13.603 -14.808 95 HD2 PRO 88 HD2 PRO 88 -6.296 15.351 -14.780 96 HD3 PRO 88 HD3 PRO 88 -6.613 13.802 -13.950 97 H HIS 89 H HIS 89 -5.137 15.299 -17.563 98 HA HIS 89 HA HIS 89 -5.780 15.857 -20.391 99 HB2 HIS 89 HB2 HIS 89 -3.593 16.998 -18.604 100 HB3 HIS 89 HB3 HIS 89 -4.135 17.639 -20.152 101 HD1 HIS 89 HD1 HIS 89 -6.720 18.689 -20.144 102 HD2 HIS 89 HD2 HIS 89 -4.913 17.758 -16.439 103 HE1 HIS 89 HE1 HIS 89 -8.098 19.908 -18.341 104 HE2 HIS 89 HE2 HIS 89 -6.987 19.349 -16.089 105 H THR 90 H THR 90 -3.477 13.857 -18.684 106 HA THR 90 HA THR 90 -1.902 13.428 -21.208 107 HB THR 90 HB THR 90 0.055 13.132 -19.845 108 HG1 THR 90 HG1 THR 90 -0.084 13.434 -17.614 109 HG21 THR 90 HG21 THR 90 -0.605 15.516 -20.377 110 HG22 THR 90 HG22 THR 90 -1.389 15.585 -18.778 111 HG23 THR 90 HG23 THR 90 0.367 15.337 -18.898 112 H GLY 91 H GLY 91 -3.672 11.771 -18.667 113 HA2 GLY 91 HA2 GLY 91 -4.165 9.529 -18.423 114 HA3 GLY 91 HA3 GLY 91 -3.272 9.160 -19.897 115 H GLU 92 H GLU 92 -1.447 10.964 -17.541 116 HA GLU 92 HA GLU 92 0.324 8.754 -16.868 117 HB2 GLU 92 HB2 GLU 92 0.154 11.676 -16.051 118 HB3 GLU 92 HB3 GLU 92 1.403 10.548 -15.498 119 HG2 GLU 92 HG2 GLU 92 2.305 10.293 -17.683 120 HG3 GLU 92 HG3 GLU 92 1.027 11.282 -18.413 121 H VAL 93 H VAL 93 0.451 7.941 -14.871 122 HA VAL 93 HA VAL 93 -1.285 8.849 -12.642 123 HB VAL 93 HB VAL 93 -0.530 6.011 -13.284 124 HG11 VAL 93 HG11 VAL 93 -2.563 7.095 -11.254 125 HG12 VAL 93 HG12 VAL 93 -2.345 5.386 -11.647 126 HG13 VAL 93 HG13 VAL 93 -1.046 6.257 -10.859 127 HG21 VAL 93 HG21 VAL 93 -2.086 6.749 -15.011 128 HG22 VAL 93 HG22 VAL 93 -2.954 5.678 -13.899 129 HG23 VAL 93 HG23 VAL 93 -3.160 7.444 -13.784 130 H ILE 94 H ILE 94 -0.415 8.440 -10.610 131 HA ILE 94 HA ILE 94 2.399 7.679 -10.227 132 HB ILE 94 HB ILE 94 1.873 9.947 -8.523 133 HG12 ILE 94 HG12 ILE 94 1.854 10.817 -11.432 134 HG13 ILE 94 HG13 ILE 94 0.442 10.828 -10.359 135 HG21 ILE 94 HG21 ILE 94 4.075 8.882 -9.126 136 HG22 ILE 94 HG22 ILE 94 3.976 9.738 -10.696 137 HG23 ILE 94 HG23 ILE 94 4.049 10.635 -9.151 138 HD11 ILE 94 HD11 ILE 94 1.341 13.041 -10.328 139 HD12 ILE 94 HD12 ILE 94 1.712 12.280 -8.761 140 HD13 ILE 94 HD13 ILE 94 2.976 12.440 -10.010 141 H GLU 95 H GLU 95 2.884 7.596 -7.921 142 HA GLU 95 HA GLU 95 0.707 7.336 -5.955 143 HB2 GLU 95 HB2 GLU 95 2.557 5.133 -6.900 144 HB3 GLU 95 HB3 GLU 95 1.936 5.137 -5.227 145 HG2 GLU 95 HG2 GLU 95 -0.337 5.049 -5.978 146 HG3 GLU 95 HG3 GLU 95 0.135 5.211 -7.673 147 H THR 96 H THR 96 1.413 8.540 -4.265 148 HA THR 96 HA THR 96 4.237 8.353 -3.364 149 HB THR 96 HB THR 96 4.873 10.467 -3.716 150 HG1 THR 96 HG1 THR 96 3.553 12.255 -3.441 151 HG21 THR 96 HG21 THR 96 2.490 10.672 -5.617 152 HG22 THR 96 HG22 THR 96 3.963 11.677 -5.645 153 HG23 THR 96 HG23 THR 96 4.068 9.965 -6.045 154 H LYS 97 H LYS 97 4.526 8.942 -1.137 155 HA LYS 97 HA LYS 97 1.998 8.930 0.481 156 HB2 LYS 97 HB2 LYS 97 4.874 8.730 1.355 157 HB3 LYS 97 HB3 LYS 97 3.465 8.375 2.349 158 HG2 LYS 97 HG2 LYS 97 2.952 6.387 1.076 159 HG3 LYS 97 HG3 LYS 97 4.150 6.779 -0.158 160 HD2 LYS 97 HD2 LYS 97 5.910 6.649 1.736 161 HD3 LYS 97 HD3 LYS 97 4.646 5.875 2.688 162 HE2 LYS 97 HE2 LYS 97 5.960 4.139 1.720 163 HE3 LYS 97 HE3 LYS 97 4.424 4.145 0.847 164 HZ1 LYS 97 HZ1 LYS 97 6.935 5.455 -0.142 165 HZ2 LYS 97 HZ2 LYS 97 6.396 3.988 -0.640 166 HZ3 LYS 97 HZ3 LYS 97 5.550 5.351 -0.976 167 H GLY 98 H GLY 98 3.455 11.269 -1.027 168 HA2 GLY 98 HA2 GLY 98 2.871 13.613 -0.311 169 HA3 GLY 98 HA3 GLY 98 3.739 13.253 1.184 170 H GLY 99 H GLY 99 4.890 15.161 0.538 171 HA2 GLY 99 HA2 GLY 99 6.905 16.057 0.196 172 HA3 GLY 99 HA3 GLY 99 7.486 14.484 -0.315 173 H ASN 100 H ASN 100 8.576 16.681 -1.245 174 HA ASN 100 HA ASN 100 7.954 17.608 -3.852 175 HB2 ASN 100 HB2 ASN 100 9.621 18.717 -2.565 176 HB3 ASN 100 HB3 ASN 100 10.390 17.224 -2.113 177 HD21 ASN 100 HD22 ASN 100 12.258 18.584 -2.585 178 HD22 ASN 100 HD21 ASN 100 12.969 18.219 -4.141 179 H HIS 101 H HIS 101 7.224 16.121 -5.288 180 HA HIS 101 HA HIS 101 9.094 13.983 -6.192 181 HB2 HIS 101 HB2 HIS 101 7.188 13.084 -4.803 182 HB3 HIS 101 HB3 HIS 101 6.064 13.687 -6.016 183 HD1 HIS 101 HD1 HIS 101 8.986 11.095 -5.686 184 HD2 HIS 101 HD2 HIS 101 5.697 12.131 -8.146 185 HE1 HIS 101 HE1 HIS 101 8.738 9.212 -7.399 186 HE2 HIS 101 HE2 HIS 101 6.756 9.834 -8.907 187 H LYS 102 H LYS 102 9.515 14.030 -8.357 188 HA LYS 102 HA LYS 102 9.230 16.369 -9.776 189 HB2 LYS 102 HB2 LYS 102 10.851 14.529 -10.110 190 HB3 LYS 102 HB3 LYS 102 9.663 13.723 -11.150 191 HG2 LYS 102 HG2 LYS 102 9.546 15.719 -12.600 192 HG3 LYS 102 HG3 LYS 102 10.609 16.624 -11.507 193 HD2 LYS 102 HD2 LYS 102 11.395 14.119 -13.010 194 HD3 LYS 102 HD3 LYS 102 11.732 15.786 -13.529 195 HE2 LYS 102 HE2 LYS 102 13.031 16.166 -11.426 196 HE3 LYS 102 HE3 LYS 102 12.755 14.485 -10.957 197 HZ1 LYS 102 HZ1 LYS 102 14.292 15.375 -13.337 198 HZ2 LYS 102 HZ2 LYS 102 14.883 14.688 -11.961 199 HZ3 LYS 102 HZ3 LYS 102 13.961 13.807 -12.987 200 H THR 103 H THR 103 7.364 13.508 -10.992 201 HA THR 103 HA THR 103 5.896 15.057 -12.845 202 HB THR 103 HB THR 103 4.945 12.481 -11.550 203 HG1 THR 103 HG1 THR 103 6.041 11.542 -13.321 204 HG21 THR 103 HG21 THR 103 3.159 13.420 -12.813 205 HG22 THR 103 HG22 THR 103 4.244 13.993 -14.086 206 HG23 THR 103 HG23 THR 103 3.894 12.251 -13.921 207 H LEU 104 H LEU 104 5.054 14.269 -9.484 208 HA LEU 104 HA LEU 104 2.419 15.356 -9.464 209 HB2 LEU 104 HB2 LEU 104 3.409 13.829 -7.756 210 HB3 LEU 104 HB3 LEU 104 4.495 15.111 -7.237 211 HG LEU 104 HG LEU 104 2.614 16.431 -6.404 212 HD11 LEU 104 HD11 LEU 104 0.828 15.726 -7.957 213 HD12 LEU 104 HD12 LEU 104 0.882 14.077 -7.299 214 HD13 LEU 104 HD13 LEU 104 0.337 15.418 -6.284 215 HD21 LEU 104 HD21 LEU 104 1.974 14.972 -4.548 216 HD22 LEU 104 HD22 LEU 104 2.475 13.542 -5.453 217 HD23 LEU 104 HD23 LEU 104 3.688 14.748 -4.930 218 H LYS 105 H LYS 105 5.607 16.924 -8.971 219 HA LYS 105 HA LYS 105 4.516 19.525 -8.321 220 HB2 LYS 105 HB2 LYS 105 6.791 18.866 -7.655 221 HB3 LYS 105 HB3 LYS 105 7.258 18.659 -9.331 222 HG2 LYS 105 HG2 LYS 105 8.157 20.740 -8.498 223 HG3 LYS 105 HG3 LYS 105 7.001 21.047 -9.777 224 HD2 LYS 105 HD2 LYS 105 6.640 22.710 -8.130 225 HD3 LYS 105 HD3 LYS 105 5.273 21.610 -7.976 226 HE2 LYS 105 HE2 LYS 105 6.479 20.474 -6.047 227 HE3 LYS 105 HE3 LYS 105 7.785 21.656 -6.234 228 HZ1 LYS 105 HZ1 LYS 105 4.988 22.175 -5.360 229 HZ2 LYS 105 HZ2 LYS 105 6.336 22.450 -4.530 230 HZ3 LYS 105 HZ3 LYS 105 6.003 23.410 -5.824 231 H GLU 106 H GLU 106 5.334 17.944 -11.417 232 HA GLU 106 HA GLU 106 5.198 20.349 -12.977 233 HB2 GLU 106 HB2 GLU 106 4.485 17.564 -13.921 234 HB3 GLU 106 HB3 GLU 106 4.851 18.975 -14.929 235 HG2 GLU 106 HG2 GLU 106 6.768 17.901 -12.911 236 HG3 GLU 106 HG3 GLU 106 6.638 17.153 -14.496 237 H TRP 107 H TRP 107 2.911 17.794 -12.246 238 HA TRP 107 HA TRP 107 0.652 18.918 -13.589 239 HB2 TRP 107 HB2 TRP 107 0.634 17.273 -11.044 240 HB3 TRP 107 HB3 TRP 107 -0.760 17.616 -12.071 241 HD1 TRP 107 HD1 TRP 107 1.973 16.737 -14.394 242 HE1 TRP 107 HE1 TRP 107 1.756 14.267 -15.122 243 HE3 TRP 107 HE3 TRP 107 -1.523 15.160 -10.999 244 HZ2 TRP 107 HZ2 TRP 107 0.737 11.859 -13.937 245 HZ3 TRP 107 HZ3 TRP 107 -2.226 12.790 -10.978 246 HH2 TRP 107 HH2 TRP 107 -1.036 11.109 -12.388 247 H LYS 108 H LYS 108 1.798 19.628 -10.267 248 HA LYS 108 HA LYS 108 -0.330 21.498 -9.646 249 HB2 LYS 108 HB2 LYS 108 2.534 21.298 -8.601 250 HB3 LYS 108 HB3 LYS 108 1.325 22.444 -8.001 251 HG2 LYS 108 HG2 LYS 108 -0.177 20.517 -7.444 252 HG3 LYS 108 HG3 LYS 108 1.118 19.412 -7.898 253 HD2 LYS 108 HD2 LYS 108 2.625 20.603 -6.240 254 HD3 LYS 108 HD3 LYS 108 1.216 21.530 -5.698 255 HE2 LYS 108 HE2 LYS 108 0.052 19.283 -5.237 256 HE3 LYS 108 HE3 LYS 108 1.570 18.489 -5.656 257 HZ1 LYS 108 HZ1 LYS 108 1.063 20.256 -3.339 258 HZ2 LYS 108 HZ2 LYS 108 1.643 18.708 -3.361 259 HZ3 LYS 108 HZ3 LYS 108 2.588 19.992 -3.861 260 H ALA 109 H ALA 109 2.766 21.860 -11.414 261 HA ALA 109 HA ALA 109 2.726 24.715 -11.538 262 HB1 ALA 109 HB1 ALA 109 3.978 22.725 -13.508 263 HB2 ALA 109 HB2 ALA 109 4.427 24.406 -13.261 264 HB3 ALA 109 HB3 ALA 109 4.721 23.209 -11.968 265 H LYS 110 H LYS 110 1.834 22.161 -13.824 266 HA LYS 110 HA LYS 110 1.042 23.820 -15.843 267 HB2 LYS 110 HB2 LYS 110 0.790 20.873 -15.307 268 HB3 LYS 110 HB3 LYS 110 0.134 21.557 -16.807 269 HG2 LYS 110 HG2 LYS 110 2.366 22.489 -17.366 270 HG3 LYS 110 HG3 LYS 110 3.032 21.832 -15.872 271 HD2 LYS 110 HD2 LYS 110 3.687 20.292 -17.535 272 HD3 LYS 110 HD3 LYS 110 2.344 19.522 -16.697 273 HE2 LYS 110 HE2 LYS 110 1.894 19.131 -18.980 274 HE3 LYS 110 HE3 LYS 110 0.818 20.463 -18.548 275 HZ1 LYS 110 HZ1 LYS 110 1.975 20.855 -20.670 276 HZ2 LYS 110 HZ2 LYS 110 2.430 21.998 -19.601 277 HZ3 LYS 110 HZ3 LYS 110 3.436 20.758 -19.952 278 H TRP 111 H TRP 111 -0.968 22.223 -13.423 279 HA TRP 111 HA TRP 111 -3.412 23.591 -14.525 280 HB2 TRP 111 HB2 TRP 111 -3.264 20.768 -13.425 281 HB3 TRP 111 HB3 TRP 111 -4.718 21.607 -13.964 282 HD1 TRP 111 HD1 TRP 111 -4.905 22.117 -16.650 283 HE1 TRP 111 HE1 TRP 111 -3.919 20.910 -18.688 284 HE3 TRP 111 HE3 TRP 111 -1.347 19.347 -14.278 285 HZ2 TRP 111 HZ2 TRP 111 -1.779 19.032 -19.230 286 HZ3 TRP 111 HZ3 TRP 111 0.259 17.944 -15.599 287 HH2 TRP 111 HH2 TRP 111 0.010 17.728 -18.042 288 H GLY 112 H GLY 112 -2.122 22.047 -11.512 289 HA2 GLY 112 HA2 GLY 112 -1.981 23.978 -9.786 290 HA3 GLY 112 HA3 GLY 112 -3.728 24.034 -9.905 291 HA PRO 113 HA PRO 113 -2.181 20.758 -6.746 292 HB2 PRO 113 HB2 PRO 113 -2.548 22.158 -4.376 293 HB3 PRO 113 HB3 PRO 113 -1.007 21.978 -5.248 294 HG2 PRO 113 HG2 PRO 113 -2.949 24.284 -5.335 295 HG3 PRO 113 HG3 PRO 113 -1.149 24.327 -5.244 296 HD2 PRO 113 HD2 PRO 113 -2.496 24.727 -7.570 297 HD3 PRO 113 HD3 PRO 113 -0.931 23.856 -7.530 298 H GLU 114 H GLU 114 -4.904 23.100 -6.651 299 HA GLU 114 HA GLU 114 -6.718 21.568 -5.086 300 HB2 GLU 114 HB2 GLU 114 -7.462 23.279 -7.470 301 HB3 GLU 114 HB3 GLU 114 -8.398 22.922 -5.991 302 HG2 GLU 114 HG2 GLU 114 -6.606 24.217 -4.711 303 HG3 GLU 114 HG3 GLU 114 -5.934 24.661 -6.290 304 H ALA 115 H ALA 115 -6.145 21.724 -8.526 305 HA ALA 115 HA ALA 115 -8.045 19.838 -9.458 306 HB1 ALA 115 HB1 ALA 115 -6.818 19.919 -11.505 307 HB2 ALA 115 HB2 ALA 115 -6.641 21.538 -10.775 308 HB3 ALA 115 HB3 ALA 115 -5.301 20.343 -10.699 309 H VAL 116 H VAL 116 -4.565 19.525 -8.865 310 HA VAL 116 HA VAL 116 -4.227 16.886 -9.396 311 HB VAL 116 HB VAL 116 -2.746 18.863 -7.672 312 HG11 VAL 116 HG11 VAL 116 -2.072 16.708 -6.715 313 HG12 VAL 116 HG12 VAL 116 -1.704 16.087 -8.341 314 HG13 VAL 116 HG13 VAL 116 -0.771 17.439 -7.643 315 HG21 VAL 116 HG21 VAL 116 -1.230 18.905 -9.577 316 HG22 VAL 116 HG22 VAL 116 -2.092 17.528 -10.325 317 HG23 VAL 116 HG23 VAL 116 -2.885 19.106 -10.195 318 H GLU 117 H GLU 117 -4.882 18.322 -6.164 319 HA GLU 117 HA GLU 117 -4.882 15.789 -4.756 320 HB2 GLU 117 HB2 GLU 117 -6.090 18.523 -4.104 321 HB3 GLU 117 HB3 GLU 117 -6.141 17.136 -3.015 322 HG2 GLU 117 HG2 GLU 117 -3.666 17.044 -2.982 323 HG3 GLU 117 HG3 GLU 117 -3.587 18.459 -4.038 324 H SER 118 H SER 118 -7.399 17.627 -6.503 325 HA SER 118 HA SER 118 -9.646 16.119 -5.477 326 HB2 SER 118 HB2 SER 118 -9.839 18.360 -6.529 327 HB3 SER 118 HB3 SER 118 -9.422 17.645 -8.099 328 HG SER 118 HG SER 118 -11.721 17.840 -7.731 329 H TRP 119 H TRP 119 -7.440 15.656 -8.218 330 HA TRP 119 HA TRP 119 -8.825 13.393 -9.362 331 HB2 TRP 119 HB2 TRP 119 -5.874 14.054 -9.575 332 HB3 TRP 119 HB3 TRP 119 -6.849 13.074 -10.655 333 HD1 TRP 119 HD1 TRP 119 -9.197 15.459 -10.841 334 HE1 TRP 119 HE1 TRP 119 -8.739 17.416 -12.431 335 HE3 TRP 119 HE3 TRP 119 -4.134 14.902 -11.366 336 HZ2 TRP 119 HZ2 TRP 119 -6.454 18.618 -13.733 337 HZ3 TRP 119 HZ3 TRP 119 -2.846 16.451 -12.829 338 HH2 TRP 119 HH2 TRP 119 -3.990 18.309 -14.004 339 H ALA 120 H ALA 120 -7.059 13.549 -6.379 340 HA ALA 120 HA ALA 120 -5.592 11.170 -6.674 341 HB1 ALA 120 HB1 ALA 120 -6.362 12.379 -4.007 342 HB2 ALA 120 HB2 ALA 120 -4.892 11.470 -4.448 343 HB3 ALA 120 HB3 ALA 120 -5.153 13.123 -5.074 344 H THR 121 H THR 121 -5.608 9.565 -5.178 345 HA THR 121 HA THR 121 -8.123 8.077 -4.386 346 HB THR 121 HB THR 121 -5.782 7.083 -6.035 347 HG1 THR 121 HG1 THR 121 -7.376 6.819 -7.676 348 HG21 THR 121 HG21 THR 121 -6.669 5.270 -4.667 349 HG22 THR 121 HG22 THR 121 -8.339 5.815 -4.988 350 HG23 THR 121 HG23 THR 121 -7.361 5.049 -6.275 351 H LEU 122 H LEU 122 -7.778 6.769 -2.602 352 HA LEU 122 HA LEU 122 -5.149 7.134 -1.197 353 HB2 LEU 122 HB2 LEU 122 -7.396 8.105 -0.340 354 HB3 LEU 122 HB3 LEU 122 -7.773 6.456 0.144 355 HG LEU 122 HG LEU 122 -5.327 8.077 1.006 356 HD11 LEU 122 HD11 LEU 122 -6.456 8.243 3.183 357 HD12 LEU 122 HD12 LEU 122 -7.492 8.909 1.915 358 HD13 LEU 122 HD13 LEU 122 -7.831 7.295 2.570 359 HD21 LEU 122 HD21 LEU 122 -5.187 6.278 2.838 360 HD22 LEU 122 HD22 LEU 122 -6.235 5.289 1.795 361 HD23 LEU 122 HD23 LEU 122 -4.633 5.842 1.226 362 H LEU 123 H LEU 123 -3.919 5.480 -0.952 363 HA LEU 123 HA LEU 123 -4.899 2.696 -1.363 364 HB2 LEU 123 HB2 LEU 123 -2.287 4.029 -2.217 365 HB3 LEU 123 HB3 LEU 123 -2.691 2.329 -2.441 366 HG LEU 123 HG LEU 123 -4.087 4.730 -3.718 367 HD11 LEU 123 HD11 LEU 123 -2.221 2.574 -4.791 368 HD12 LEU 123 HD12 LEU 123 -3.073 3.761 -5.790 369 HD13 LEU 123 HD13 LEU 123 -1.871 4.297 -4.592 370 HD21 LEU 123 HD21 LEU 123 -4.559 1.740 -4.132 371 HD22 LEU 123 HD22 LEU 123 -5.722 2.889 -3.437 372 HD23 LEU 123 HD23 LEU 123 -5.253 3.041 -5.131 373 H GLY 124 H GLY 124 -4.489 1.302 0.113 374 HA2 GLY 124 HA2 GLY 124 -3.411 2.074 2.673 375 HA3 GLY 124 HA3 GLY 124 -4.029 0.486 2.219 376 H HIS 125 H HIS 125 -1.818 0.626 -0.035 377 HA HIS 125 HA HIS 125 0.666 0.194 1.470 378 HB2 HIS 125 HB2 HIS 125 -0.535 -1.897 1.660 379 HB3 HIS 125 HB3 HIS 125 -0.623 -2.043 -0.103 380 HD1 HIS 125 HD1 HIS 125 2.660 -1.008 -0.131 381 HD2 HIS 125 HD2 HIS 125 0.751 -4.314 1.662 382 HE1 HIS 125 HE1 HIS 125 4.498 -2.810 0.225 383 HE2 HIS 125 HE2 HIS 125 3.312 -4.823 1.318 384 H5' DC 1 H5' DC 1 -4.667 29.028 7.510 385 H5'' DC 1 H5'' DC 1 -3.279 29.816 6.774 386 H4' DC 1 H4' DC 1 -2.974 29.787 9.141 387 H3' DC 1 H3' DC 1 -1.126 28.645 7.383 388 H2' DC 1 H2' DC 1 -1.261 26.485 7.984 389 H2'' DC 1 H2'' DC 1 -0.277 26.912 9.371 390 H1' DC 1 H1' DC 1 -2.034 27.120 10.833 391 H41 DC 1 H41 DC 1 -4.889 21.441 8.953 392 H42 DC 1 H42 DC 1 -4.783 21.469 10.716 393 H5 DC 1 H5 DC 1 -4.055 23.322 7.577 394 H6 DC 1 H6 DC 1 -3.082 25.538 7.709 395 HO5' DC 1 H5T DC 1 -3.929 27.890 5.611 396 H5' DG 2 H5' DG 2 0.222 29.023 11.943 397 H5'' DG 2 H5'' DG 2 1.801 29.805 11.964 398 H4' DG 2 H4' DG 2 1.821 28.297 13.754 399 H3' DG 2 H3' DG 2 3.695 27.928 11.689 400 H2' DG 2 H2' DG 2 2.683 26.015 10.845 401 H2'' DG 2 H2'' DG 2 3.735 25.221 12.028 402 H1' DG 2 H1' DG 2 2.018 25.149 13.691 403 H8 DG 2 H8 DG 2 0.803 25.195 10.059 404 H1 DG 2 H1 DG 2 -1.206 20.158 13.537 405 H21 DG 2 H21 DG 2 0.626 21.669 16.020 406 H22 DG 2 H22 DG 2 -0.361 20.290 15.527 407 H5' DC 3 H5' DC 3 4.092 25.490 15.715 408 H5'' DC 3 H5'' DC 3 5.778 25.458 16.234 409 H4' DC 3 H4' DC 3 4.701 23.417 16.903 410 H3' DC 3 H3' DC 3 6.960 23.361 15.066 411 H2' DC 3 H2' DC 3 6.160 21.839 13.609 412 H2'' DC 3 H2'' DC 3 6.110 20.639 14.901 413 H1' DC 3 H1' DC 3 3.901 20.926 15.358 414 H41 DC 3 H41 DC 3 1.823 21.420 9.094 415 H42 DC 3 H42 DC 3 1.172 19.960 9.842 416 H5 DC 3 H5 DC 3 3.450 22.837 10.287 417 H6 DC 3 H6 DC 3 4.528 23.162 12.506 418 H5' DA 4 H5' DA 4 6.115 19.599 17.399 419 H5'' DA 4 H5'' DA 4 7.536 18.901 18.177 420 H4' DA 4 H4' DA 4 6.289 17.110 17.332 421 H3' DA 4 H3' DA 4 8.904 17.576 16.235 422 H2' DA 4 H2' DA 4 8.128 17.919 14.103 423 H2'' DA 4 H2'' DA 4 8.158 16.154 13.998 424 H1' DA 4 H1' DA 4 5.850 15.954 14.655 425 H8 DA 4 H8 DA 4 6.775 19.283 13.029 426 H61 DA 4 H61 DA 4 2.606 17.630 8.668 427 H62 DA 4 H62 DA 4 3.627 18.950 9.215 428 H2 DA 4 H2 DA 4 2.963 14.342 11.482 429 H5' DT 5 H5' DT 5 7.066 13.397 15.443 430 H5'' DT 5 H5'' DT 5 8.246 12.141 15.838 431 H4' DT 5 H4' DT 5 7.063 11.412 13.928 432 H3' DT 5 H3' DT 5 9.893 11.851 13.743 433 H2' DT 5 H2' DT 5 9.742 13.451 12.110 434 H2'' DT 5 H2'' DT 5 9.581 12.075 11.008 435 H1' DT 5 H1' DT 5 7.202 12.099 11.092 436 H3 DT 5 H3 DT 5 5.620 15.271 8.291 437 H71 DT 5 H71 DT 5 9.421 17.931 9.702 438 H72 DT 5 H72 DT 5 8.161 18.560 10.766 439 H73 DT 5 H73 DT 5 9.460 17.546 11.437 440 H6 DT 5 H6 DT 5 8.911 15.367 11.825 441 H5' DA 6 H5' DA 6 7.402 9.062 10.943 442 H5'' DA 6 H5'' DA 6 8.292 7.553 10.741 443 H4' DA 6 H4' DA 6 6.923 7.837 8.846 444 H3' DA 6 H3' DA 6 9.686 7.531 8.526 445 H2' DA 6 H2' DA 6 10.166 9.693 7.948 446 H2'' DA 6 H2'' DA 6 9.755 9.157 6.331 447 H1' DA 6 H1' DA 6 7.581 10.009 6.404 448 H8 DA 6 H8 DA 6 10.051 11.610 8.872 449 H61 DA 6 H61 DA 6 8.326 16.921 6.039 450 H62 DA 6 H62 DA 6 9.484 16.253 7.183 451 H2 DA 6 H2 DA 6 5.907 13.711 4.420 452 H5' DT 7 H5' DT 7 6.876 7.839 5.105 453 H5'' DT 7 H5'' DT 7 7.072 6.673 3.801 454 H4' DT 7 H4' DT 7 6.265 8.813 2.980 455 H3' DT 7 H3' DT 7 8.555 7.523 1.889 456 H2' DT 7 H2' DT 7 10.022 9.207 2.600 457 H2'' DT 7 H2'' DT 7 9.520 9.960 1.068 458 H1' DT 7 H1' DT 7 7.687 11.125 2.114 459 H3 DT 7 H3 DT 7 9.821 14.913 3.313 460 H71 DT 7 H71 DT 7 13.136 12.130 5.424 461 H72 DT 7 H72 DT 7 12.028 12.370 6.780 462 H73 DT 7 H73 DT 7 12.137 10.774 6.000 463 H6 DT 7 H6 DT 7 10.407 10.288 4.498 464 H5' DA 8 H5' DA 8 7.356 10.779 -1.423 465 H5'' DA 8 H5'' DA 8 7.459 9.877 -2.938 466 H4' DA 8 H4' DA 8 8.692 11.814 -3.341 467 H3' DA 8 H3' DA 8 10.374 9.422 -3.005 468 H2' DA 8 H2' DA 8 11.799 10.405 -1.550 469 H2'' DA 8 H2'' DA 8 12.381 11.355 -2.944 470 H1' DA 8 H1' DA 8 10.968 13.164 -2.505 471 H8 DA 8 H8 DA 8 11.530 11.022 0.755 472 H61 DA 8 H61 DA 8 13.359 16.622 2.969 473 H62 DA 8 H62 DA 8 13.092 14.970 3.516 474 H2 DA 8 H2 DA 8 12.238 17.146 -1.066 475 H5' DT 9 H5' DT 9 11.012 12.867 -6.121 476 H5'' DT 9 H5'' DT 9 11.732 12.169 -7.579 477 H4' DT 9 H4' DT 9 12.365 14.478 -7.457 478 H3' DT 9 H3' DT 9 14.299 12.417 -7.509 479 H2' DT 9 H2' DT 9 15.229 12.774 -5.498 480 H2'' DT 9 H2'' DT 9 16.077 14.128 -6.232 481 H1' DT 9 H1' DT 9 14.545 15.729 -5.543 482 H3 DT 9 H3 DT 9 15.379 16.460 -1.166 483 H71 DT 9 H71 DT 9 14.584 11.101 -1.870 484 H72 DT 9 H72 DT 9 15.951 11.656 -0.877 485 H73 DT 9 H73 DT 9 14.305 11.853 -0.281 486 H6 DT 9 H6 DT 9 14.211 12.506 -3.679 487 H5' DG 10 H5' DG 10 15.219 16.894 -8.096 488 H5'' DG 10 H5'' DG 10 16.163 17.083 -9.573 489 H4' DG 10 H4' DG 10 16.681 18.916 -8.172 490 H3' DG 10 H3' DG 10 18.694 17.226 -9.118 491 H2' DG 10 H2' DG 10 19.051 16.134 -7.097 492 H2'' DG 10 H2'' DG 10 20.207 17.447 -6.850 493 H1' DG 10 H1' DG 10 18.666 18.765 -5.618 494 H8 DG 10 H8 DG 10 17.983 15.006 -5.560 495 H1 DG 10 H1 DG 10 19.088 17.668 0.199 496 H21 DG 10 H21 DG 10 19.515 20.519 -1.660 497 H22 DG 10 H22 DG 10 19.618 19.734 -0.081 498 H5' DC 11 H5' DC 11 19.915 21.261 -6.893 499 H5'' DC 11 H5'' DC 11 21.036 22.077 -7.974 500 H4' DC 11 H4' DC 11 21.501 22.783 -5.755 501 H3' DC 11 H3' DC 11 23.489 21.685 -7.363 502 H2' DC 11 H2' DC 11 23.707 19.652 -6.287 503 H2'' DC 11 H2'' DC 11 24.779 20.537 -5.206 504 H1' DC 11 H1' DC 11 23.151 20.934 -3.606 505 H41 DC 11 H41 DC 11 21.199 14.636 -3.153 506 H42 DC 11 H42 DC 11 21.491 15.275 -1.530 507 H5 DC 11 H5 DC 11 21.589 15.974 -5.137 508 H6 DC 11 H6 DC 11 22.180 18.260 -5.907 509 H5' DG 12 H5' DG 12 25.337 23.088 -3.367 510 H5'' DG 12 H5'' DG 12 26.939 23.815 -3.553 511 H4' DG 12 H4' DG 12 27.067 22.192 -1.808 512 H3' DG 12 H3' DG 12 28.375 21.256 -4.358 513 HO3' DG 12 H3T DG 12 29.549 22.766 -3.062 514 H2' DG 12 H2' DG 12 28.410 19.119 -3.695 515 H2'' DG 12 H2'' DG 12 28.976 19.534 -2.061 516 H1' DG 12 H1' DG 12 26.865 19.618 -1.182 517 H8 DG 12 H8 DG 12 26.174 18.521 -4.800 518 H1 DG 12 H1 DG 12 24.602 14.296 -0.185 519 H21 DG 12 H21 DG 12 25.956 16.705 1.875 520 H22 DG 12 H22 DG 12 25.314 15.067 1.748 521 H5' DC 13 H5' DC 13 24.718 7.757 5.053 522 H5'' DC 13 H5'' DC 13 24.043 7.914 6.672 523 H4' DC 13 H4' DC 13 25.495 9.775 6.222 524 H3' DC 13 H3' DC 13 22.857 10.064 7.045 525 H2' DC 13 H2' DC 13 22.012 10.889 5.037 526 H2'' DC 13 H2'' DC 13 22.555 12.445 5.703 527 H1' DC 13 H1' DC 13 24.639 12.347 4.634 528 H41 DC 13 H41 DC 13 22.040 11.674 -1.409 529 H42 DC 13 H42 DC 13 23.278 12.935 -1.467 530 H5 DC 13 H5 DC 13 21.471 10.506 0.660 531 H6 DC 13 H6 DC 13 22.097 10.260 2.999 532 HO5' DC 13 H5T DC 13 22.440 7.239 5.110 533 H5' DG 14 H5' DG 14 25.589 14.229 7.244 534 H5'' DG 14 H5'' DG 14 25.270 14.704 8.911 535 H4' DG 14 H4' DG 14 25.647 16.697 7.800 536 H3' DG 14 H3' DG 14 23.171 16.342 9.008 537 H2' DG 14 H2' DG 14 21.954 15.941 7.051 538 H2'' DG 14 H2'' DG 14 21.795 17.682 7.046 539 H1' DG 14 H1' DG 14 23.518 18.009 5.526 540 H8 DG 14 H8 DG 14 22.000 14.506 5.470 541 H1 DG 14 H1 DG 14 22.382 17.421 -0.262 542 H21 DG 14 H21 DG 14 23.861 19.925 1.569 543 H22 DG 14 H22 DG 14 23.267 19.375 -0.002 544 H5' DC 15 H5' DC 15 23.769 20.338 6.907 545 H5'' DC 15 H5'' DC 15 23.080 21.772 7.667 546 H4' DC 15 H4' DC 15 22.659 21.782 5.282 547 H3' DC 15 H3' DC 15 20.295 21.502 7.086 548 H2' DC 15 H2' DC 15 19.018 20.525 5.516 549 H2'' DC 15 H2'' DC 15 19.384 21.797 4.329 550 H1' DC 15 H1' DC 15 21.136 20.710 3.396 551 H41 DC 15 H41 DC 15 18.379 14.720 3.165 552 H42 DC 15 H42 DC 15 18.433 15.423 1.541 553 H5 DC 15 H5 DC 15 19.022 16.043 5.143 554 H6 DC 15 H6 DC 15 20.019 18.204 5.827 555 H5' DA 16 H5' DA 16 20.467 23.905 3.376 556 H5'' DA 16 H5'' DA 16 19.883 25.558 3.523 557 H4' DA 16 H4' DA 16 19.356 24.828 1.351 558 H3' DA 16 H3' DA 16 17.275 25.597 3.118 559 H2' DA 16 H2' DA 16 16.427 23.459 3.328 560 H2'' DA 16 H2'' DA 16 15.476 23.928 1.916 561 H1' DA 16 H1' DA 16 17.057 22.976 0.374 562 H8 DA 16 H8 DA 16 17.126 21.444 3.867 563 H61 DA 16 H61 DA 16 15.642 16.123 0.908 564 H62 DA 16 H62 DA 16 16.173 16.762 2.457 565 H2 DA 16 H2 DA 16 15.438 19.336 -1.974 566 H5' DT 17 H5' DT 17 15.834 24.905 -1.181 567 H5'' DT 17 H5'' DT 17 14.763 26.182 -1.748 568 H4' DT 17 H4' DT 17 13.886 24.096 -2.475 569 H3' DT 17 H3' DT 17 12.319 25.722 -0.664 570 H2' DT 17 H2' DT 17 12.035 24.051 0.872 571 H2'' DT 17 H2'' DT 17 10.816 23.404 -0.235 572 H1' DT 17 H1' DT 17 12.397 22.027 -1.383 573 H3 DT 17 H3 DT 17 12.828 18.232 1.040 574 H71 DT 17 H71 DT 17 14.493 20.922 4.672 575 H72 DT 17 H72 DT 17 13.660 22.464 4.356 576 H73 DT 17 H73 DT 17 12.751 21.059 4.955 577 H6 DT 17 H6 DT 17 13.293 22.890 2.151 578 H5' DA 18 H5' DA 18 10.342 22.454 -2.921 579 H5'' DA 18 H5'' DA 18 8.993 23.041 -3.894 580 H4' DA 18 H4' DA 18 8.303 20.946 -3.216 581 H3' DA 18 H3' DA 18 6.897 23.107 -1.814 582 H2' DA 18 H2' DA 18 7.371 22.291 0.239 583 H2'' DA 18 H2'' DA 18 6.090 21.107 -0.111 584 H1' DA 18 H1' DA 18 7.604 19.496 -0.873 585 H8 DA 18 H8 DA 18 8.952 21.909 1.792 586 H61 DA 18 H61 DA 18 10.855 16.508 4.454 587 H62 DA 18 H62 DA 18 10.741 18.237 4.801 588 H2 DA 18 H2 DA 18 9.467 15.629 0.529 589 H5' DT 19 H5' DT 19 5.656 18.824 -2.346 590 H5'' DT 19 H5'' DT 19 4.098 18.771 -3.174 591 H4' DT 19 H4' DT 19 3.881 16.978 -1.697 592 H3' DT 19 H3' DT 19 2.295 19.268 -1.005 593 H2' DT 19 H2' DT 19 3.628 19.848 0.786 594 H2'' DT 19 H2'' DT 19 2.491 18.755 1.628 595 H1' DT 19 H1' DT 19 3.901 16.825 1.191 596 H3 DT 19 H3 DT 19 6.917 16.438 4.474 597 H71 DT 19 H71 DT 19 6.377 21.720 3.213 598 H72 DT 19 H72 DT 19 6.028 21.252 4.897 599 H73 DT 19 H73 DT 19 7.679 21.179 4.296 600 H6 DT 19 H6 DT 19 5.326 20.145 1.853 601 H5' DA 20 H5' DA 20 -1.392 15.451 -0.022 602 H5'' DA 20 H5'' DA 20 -0.069 16.203 0.848 603 H4' DA 20 H4' DA 20 -0.018 13.256 0.114 604 H3' DA 20 H3' DA 20 -1.922 14.462 1.734 605 H2' DA 20 H2' DA 20 -0.486 15.460 3.208 606 H2'' DA 20 H2'' DA 20 -0.623 13.915 4.066 607 H1' DA 20 H1' DA 20 1.380 13.063 3.220 608 H8 DA 20 H8 DA 20 1.630 16.835 2.345 609 H61 DA 20 H61 DA 20 5.228 17.304 7.391 610 H62 DA 20 H62 DA 20 4.457 18.216 6.092 611 H2 DA 20 H2 DA 20 3.933 13.174 7.116 612 H5' DT 21 H5' DT 21 -0.307 11.055 4.108 613 H5'' DT 21 H5'' DT 21 -1.623 9.880 4.159 614 H4' DT 21 H4' DT 21 -0.588 9.619 6.221 615 H3' DT 21 H3' DT 21 -3.194 10.534 6.266 616 H2' DT 21 H2' DT 21 -2.765 12.749 6.772 617 H2'' DT 21 H2'' DT 21 -2.805 12.126 8.438 618 H1' DT 21 H1' DT 21 -0.522 11.869 8.587 619 H3 DT 21 H3 DT 21 1.990 15.608 8.903 620 H71 DT 21 H71 DT 21 -0.210 17.243 4.916 621 H72 DT 21 H72 DT 21 -1.796 16.446 5.052 622 H73 DT 21 H73 DT 21 -1.348 17.743 6.176 623 H6 DT 21 H6 DT 21 -1.640 14.338 5.971 624 H5' DG 22 H5' DG 22 -1.135 9.690 10.337 625 H5'' DG 22 H5'' DG 22 -2.232 8.852 11.459 626 H4' DG 22 H4' DG 22 -1.027 10.436 12.731 627 H3' DG 22 H3' DG 22 -3.877 10.752 12.502 628 H2' DG 22 H2' DG 22 -3.687 12.810 11.433 629 H2'' DG 22 H2'' DG 22 -3.563 13.419 13.106 630 H1' DG 22 H1' DG 22 -1.160 13.248 13.071 631 H8 DG 22 H8 DG 22 -2.828 14.066 9.714 632 H1 DG 22 H1 DG 22 1.203 18.528 12.058 633 H21 DG 22 H21 DG 22 1.517 16.255 14.626 634 H22 DG 22 H22 DG 22 1.915 17.861 14.006 635 H5' DC 23 H5' DC 23 -1.206 12.436 16.054 636 H5'' DC 23 H5'' DC 23 -2.047 11.931 17.518 637 H4' DC 23 H4' DC 23 -0.713 13.796 18.077 638 H3' DC 23 H3' DC 23 -3.471 13.831 18.509 639 H2' DC 23 H2' DC 23 -4.046 15.356 16.883 640 H2'' DC 23 H2'' DC 23 -3.614 16.563 18.075 641 H1' DC 23 H1' DC 23 -1.470 16.892 17.256 642 H41 DC 23 H41 DC 23 -3.677 17.832 11.089 643 H42 DC 23 H42 DC 23 -2.658 19.198 11.562 644 H5 DC 23 H5 DC 23 -4.104 15.969 12.606 645 H6 DC 23 H6 DC 23 -3.523 15.072 14.848 646 H5' DG 24 H5' DG 24 -1.653 17.666 20.350 647 H5'' DG 24 H5'' DG 24 -2.453 18.141 21.855 648 H4' DG 24 H4' DG 24 -2.375 20.048 20.452 649 H3' DG 24 H3' DG 24 -5.139 18.845 20.554 650 HO3' DG 24 H3T DG 24 -5.479 20.740 21.844 651 H2' DG 24 H2' DG 24 -5.846 20.073 18.814 652 H2'' DG 24 H2'' DG 24 -5.036 21.554 19.394 653 H1' DG 24 H1' DG 24 -3.126 21.167 18.214 654 H8 DG 24 H8 DG 24 -5.315 18.227 17.072 655 H1 DG 24 H1 DG 24 -3.932 22.700 12.623 656 H21 DG 24 H21 DG 24 -2.231 24.132 15.261 657 H22 DG 24 H22 DG 24 -2.747 24.292 13.579 Start of MODEL 17 1 H ALA 79 H1 ALA 79 -1.718 6.926 9.003 2 HA ALA 79 HA ALA 79 1.177 6.409 9.383 3 HB1 ALA 79 HB1 ALA 79 -1.086 4.808 8.110 4 HB2 ALA 79 HB2 ALA 79 0.641 4.342 8.063 5 HB3 ALA 79 HB3 ALA 79 -0.234 4.392 9.608 6 H ARG 80 H ARG 80 2.430 6.291 7.489 7 HA ARG 80 HA ARG 80 2.027 8.292 5.499 8 HB2 ARG 80 HB2 ARG 80 4.041 6.054 5.812 9 HB3 ARG 80 HB3 ARG 80 4.130 7.239 4.507 10 HG2 ARG 80 HG2 ARG 80 3.977 8.006 7.445 11 HG3 ARG 80 HG3 ARG 80 5.492 7.828 6.543 12 HD2 ARG 80 HD2 ARG 80 5.291 9.987 5.960 13 HD3 ARG 80 HD3 ARG 80 3.945 9.506 4.936 14 HE ARG 80 HE ARG 80 2.450 10.489 6.415 15 HH11 ARG 80 HH11 ARG 80 5.601 10.423 8.033 16 HH12 ARG 80 HH12 ARG 80 5.063 11.672 9.133 17 HH21 ARG 80 HH21 ARG 80 1.878 11.902 8.127 18 HH22 ARG 80 HH22 ARG 80 3.111 12.333 9.257 19 H LYS 81 H LYS 81 -0.230 7.276 5.092 20 HA LYS 81 HA LYS 81 -0.765 5.193 3.251 21 HB2 LYS 81 HB2 LYS 81 -2.139 7.829 3.983 22 HB3 LYS 81 HB3 LYS 81 -2.857 6.661 2.879 23 HG2 LYS 81 HG2 LYS 81 -3.239 5.069 4.528 24 HG3 LYS 81 HG3 LYS 81 -1.998 5.716 5.629 25 HD2 LYS 81 HD2 LYS 81 -3.336 7.627 6.192 26 HD3 LYS 81 HD3 LYS 81 -4.557 7.228 4.967 27 HE2 LYS 81 HE2 LYS 81 -5.241 5.238 6.138 28 HE3 LYS 81 HE3 LYS 81 -3.845 5.297 7.218 29 HZ1 LYS 81 HZ1 LYS 81 -4.724 7.278 8.253 30 HZ2 LYS 81 HZ2 LYS 81 -5.991 7.365 7.219 31 HZ3 LYS 81 HZ3 LYS 81 -5.894 6.132 8.293 32 H VAL 82 H VAL 82 -0.486 5.017 1.304 33 HA VAL 82 HA VAL 82 0.769 6.956 -0.471 34 HB VAL 82 HB VAL 82 -0.546 4.275 -1.046 35 HG11 VAL 82 HG11 VAL 82 -0.602 5.427 -3.114 36 HG12 VAL 82 HG12 VAL 82 1.034 6.118 -2.888 37 HG13 VAL 82 HG13 VAL 82 0.811 4.380 -3.191 38 HG21 VAL 82 HG21 VAL 82 1.446 4.192 0.427 39 HG22 VAL 82 HG22 VAL 82 1.699 3.399 -1.139 40 HG23 VAL 82 HG23 VAL 82 2.389 5.010 -0.855 41 H LYS 83 H LYS 83 -0.140 8.365 -1.817 42 HA LYS 83 HA LYS 83 -3.044 8.189 -2.434 43 HB2 LYS 83 HB2 LYS 83 -1.228 10.556 -2.078 44 HB3 LYS 83 HB3 LYS 83 -2.402 10.604 -3.413 45 HG2 LYS 83 HG2 LYS 83 -4.266 10.238 -1.973 46 HG3 LYS 83 HG3 LYS 83 -3.217 10.060 -0.549 47 HD2 LYS 83 HD2 LYS 83 -2.460 12.354 -0.725 48 HD3 LYS 83 HD3 LYS 83 -3.233 12.556 -2.310 49 HE2 LYS 83 HE2 LYS 83 -5.353 12.686 -1.484 50 HE3 LYS 83 HE3 LYS 83 -4.945 11.887 0.065 51 HZ1 LYS 83 HZ1 LYS 83 -3.806 13.798 0.780 52 HZ2 LYS 83 HZ2 LYS 83 -3.914 14.565 -0.706 53 HZ3 LYS 83 HZ3 LYS 83 -5.238 14.341 0.234 54 H GLN 84 H GLN 84 -3.484 7.601 -4.439 55 HA GLN 84 HA GLN 84 -1.315 7.504 -6.447 56 HB2 GLN 84 HB2 GLN 84 -2.300 5.523 -6.897 57 HB3 GLN 84 HB3 GLN 84 -3.795 5.920 -6.034 58 HG2 GLN 84 HG2 GLN 84 -4.597 7.140 -7.977 59 HG3 GLN 84 HG3 GLN 84 -3.066 6.843 -8.841 60 HE21 GLN 84 HE21 GLN 84 -2.484 4.437 -9.201 61 HE22 GLN 84 HE22 GLN 84 -3.834 3.344 -9.456 62 H TYR 85 H TYR 85 -1.561 8.847 -8.185 63 HA TYR 85 HA TYR 85 -3.850 10.789 -8.201 64 HB2 TYR 85 HB2 TYR 85 -0.933 11.449 -8.793 65 HB3 TYR 85 HB3 TYR 85 -2.293 12.555 -8.869 66 HD1 TYR 85 HD1 TYR 85 -3.411 13.365 -6.843 67 HD2 TYR 85 HD2 TYR 85 0.134 10.925 -6.644 68 HE1 TYR 85 HE1 TYR 85 -2.988 14.191 -4.535 69 HE2 TYR 85 HE2 TYR 85 0.582 11.761 -4.346 70 HH TYR 85 HH TYR 85 -1.518 14.225 -2.796 71 H LYS 86 H LYS 86 -4.699 11.104 -10.258 72 HA LYS 86 HA LYS 86 -3.276 9.946 -12.618 73 HB2 LYS 86 HB2 LYS 86 -4.920 8.309 -11.907 74 HB3 LYS 86 HB3 LYS 86 -6.180 9.537 -11.780 75 HG2 LYS 86 HG2 LYS 86 -6.260 9.864 -14.168 76 HG3 LYS 86 HG3 LYS 86 -4.791 8.922 -14.417 77 HD2 LYS 86 HD2 LYS 86 -5.982 6.887 -13.532 78 HD3 LYS 86 HD3 LYS 86 -7.465 7.863 -13.400 79 HE2 LYS 86 HE2 LYS 86 -7.340 8.334 -15.854 80 HE3 LYS 86 HE3 LYS 86 -5.880 7.334 -15.961 81 HZ1 LYS 86 HZ1 LYS 86 -8.573 6.345 -15.133 82 HZ2 LYS 86 HZ2 LYS 86 -7.876 6.071 -16.583 83 HZ3 LYS 86 HZ3 LYS 86 -7.227 5.418 -15.242 84 H ASN 87 H ASN 87 -3.340 11.192 -14.408 85 HA ASN 87 HA ASN 87 -4.538 13.899 -14.053 86 HB2 ASN 87 HB2 ASN 87 -2.164 13.626 -14.294 87 HB3 ASN 87 HB3 ASN 87 -2.358 12.899 -15.886 88 HD21 ASN 87 HD21 ASN 87 -0.898 15.339 -15.114 89 HD22 ASN 87 HD22 ASN 87 -1.699 16.652 -15.977 90 HA PRO 88 HA PRO 88 -7.753 12.700 -17.073 91 HB2 PRO 88 HB2 PRO 88 -8.263 15.661 -16.722 92 HB3 PRO 88 HB3 PRO 88 -9.448 14.318 -16.811 93 HG2 PRO 88 HG2 PRO 88 -8.782 15.390 -14.410 94 HG3 PRO 88 HG3 PRO 88 -8.917 13.610 -14.586 95 HD2 PRO 88 HD2 PRO 88 -6.419 15.309 -14.571 96 HD3 PRO 88 HD3 PRO 88 -6.745 13.739 -13.777 97 H HIS 89 H HIS 89 -5.374 15.305 -17.413 98 HA HIS 89 HA HIS 89 -6.077 15.882 -20.212 99 HB2 HIS 89 HB2 HIS 89 -3.835 16.992 -18.478 100 HB3 HIS 89 HB3 HIS 89 -4.411 17.657 -20.004 101 HD1 HIS 89 HD1 HIS 89 -7.001 18.707 -19.933 102 HD2 HIS 89 HD2 HIS 89 -5.119 17.726 -16.279 103 HE1 HIS 89 HE1 HIS 89 -8.347 19.893 -18.086 104 HE2 HIS 89 HE2 HIS 89 -7.196 19.300 -15.864 105 H THR 90 H THR 90 -3.785 13.796 -18.630 106 HA THR 90 HA THR 90 -2.322 13.374 -21.219 107 HB THR 90 HB THR 90 -0.320 12.961 -19.940 108 HG1 THR 90 HG1 THR 90 -0.399 13.203 -17.668 109 HG21 THR 90 HG21 THR 90 -0.888 15.390 -20.343 110 HG22 THR 90 HG22 THR 90 -1.615 15.424 -18.712 111 HG23 THR 90 HG23 THR 90 0.120 15.105 -18.912 112 H GLY 91 H GLY 91 -3.998 11.778 -18.579 113 HA2 GLY 91 HA2 GLY 91 -4.631 9.565 -18.354 114 HA3 GLY 91 HA3 GLY 91 -3.779 9.148 -19.841 115 H GLU 92 H GLU 92 -1.725 10.861 -17.623 116 HA GLU 92 HA GLU 92 -0.212 8.464 -16.990 117 HB2 GLU 92 HB2 GLU 92 0.209 11.420 -16.559 118 HB3 GLU 92 HB3 GLU 92 1.169 10.239 -15.672 119 HG2 GLU 92 HG2 GLU 92 0.962 10.048 -18.662 120 HG3 GLU 92 HG3 GLU 92 2.095 11.169 -17.873 121 H VAL 93 H VAL 93 0.269 7.908 -14.962 122 HA VAL 93 HA VAL 93 -1.400 8.777 -12.668 123 HB VAL 93 HB VAL 93 -0.649 5.948 -13.360 124 HG11 VAL 93 HG11 VAL 93 -1.099 6.145 -10.926 125 HG12 VAL 93 HG12 VAL 93 -2.617 7.009 -11.254 126 HG13 VAL 93 HG13 VAL 93 -2.432 5.304 -11.694 127 HG21 VAL 93 HG21 VAL 93 -3.292 7.397 -13.772 128 HG22 VAL 93 HG22 VAL 93 -2.266 6.695 -15.027 129 HG23 VAL 93 HG23 VAL 93 -3.110 5.628 -13.902 130 H ILE 94 H ILE 94 -0.484 8.349 -10.664 131 HA ILE 94 HA ILE 94 2.334 7.585 -10.335 132 HB ILE 94 HB ILE 94 1.807 9.848 -8.614 133 HG12 ILE 94 HG12 ILE 94 1.831 10.724 -11.525 134 HG13 ILE 94 HG13 ILE 94 0.402 10.734 -10.485 135 HG21 ILE 94 HG21 ILE 94 3.940 9.613 -10.756 136 HG22 ILE 94 HG22 ILE 94 3.994 10.536 -9.230 137 HG23 ILE 94 HG23 ILE 94 4.018 8.782 -9.177 138 HD11 ILE 94 HD11 ILE 94 1.312 12.943 -10.447 139 HD12 ILE 94 HD12 ILE 94 1.620 12.191 -8.856 140 HD13 ILE 94 HD13 ILE 94 2.929 12.339 -10.047 141 H GLU 95 H GLU 95 2.850 7.501 -8.020 142 HA GLU 95 HA GLU 95 0.705 7.228 -6.032 143 HB2 GLU 95 HB2 GLU 95 2.529 5.027 -6.999 144 HB3 GLU 95 HB3 GLU 95 1.926 5.032 -5.317 145 HG2 GLU 95 HG2 GLU 95 -0.357 4.960 -6.037 146 HG3 GLU 95 HG3 GLU 95 0.108 5.104 -7.737 147 H THR 96 H THR 96 1.437 8.388 -4.336 148 HA THR 96 HA THR 96 4.265 8.175 -3.452 149 HB THR 96 HB THR 96 4.913 10.291 -3.765 150 HG1 THR 96 HG1 THR 96 3.592 12.090 -3.495 151 HG21 THR 96 HG21 THR 96 3.995 11.537 -5.688 152 HG22 THR 96 HG22 THR 96 4.149 9.830 -6.103 153 HG23 THR 96 HG23 THR 96 2.553 10.497 -5.686 154 H LYS 97 H LYS 97 4.580 8.853 -1.219 155 HA LYS 97 HA LYS 97 2.065 8.759 0.410 156 HB2 LYS 97 HB2 LYS 97 4.951 8.625 1.259 157 HB3 LYS 97 HB3 LYS 97 3.557 8.249 2.267 158 HG2 LYS 97 HG2 LYS 97 3.054 6.262 0.983 159 HG3 LYS 97 HG3 LYS 97 4.259 6.665 -0.241 160 HD2 LYS 97 HD2 LYS 97 6.005 6.545 1.669 161 HD3 LYS 97 HD3 LYS 97 4.735 5.768 2.610 162 HE2 LYS 97 HE2 LYS 97 6.080 4.043 1.652 163 HE3 LYS 97 HE3 LYS 97 4.546 4.022 0.783 164 HZ1 LYS 97 HZ1 LYS 97 5.662 5.246 -1.041 165 HZ2 LYS 97 HZ2 LYS 97 7.049 5.359 -0.207 166 HZ3 LYS 97 HZ3 LYS 97 6.521 3.890 -0.710 167 H GLY 98 H GLY 98 3.417 11.164 -1.096 168 HA2 GLY 98 HA2 GLY 98 2.765 13.462 -0.400 169 HA3 GLY 98 HA3 GLY 98 3.603 13.143 1.125 170 H GLY 99 H GLY 99 4.714 15.109 0.478 171 HA2 GLY 99 HA2 GLY 99 6.747 16.039 0.187 172 HA3 GLY 99 HA3 GLY 99 7.359 14.473 -0.297 173 H ASN 100 H ASN 100 8.438 16.659 -1.240 174 HA ASN 100 HA ASN 100 7.846 17.559 -3.855 175 HB2 ASN 100 HB2 ASN 100 9.498 18.662 -2.522 176 HB3 ASN 100 HB3 ASN 100 10.290 17.168 -2.119 177 HD21 ASN 100 HD22 ASN 100 12.101 18.638 -2.560 178 HD22 ASN 100 HD21 ASN 100 12.831 18.305 -4.111 179 H HIS 101 H HIS 101 7.143 16.047 -5.313 180 HA HIS 101 HA HIS 101 9.041 13.912 -6.130 181 HB2 HIS 101 HB2 HIS 101 7.128 13.003 -4.766 182 HB3 HIS 101 HB3 HIS 101 6.014 13.572 -6.000 183 HD1 HIS 101 HD1 HIS 101 9.009 11.045 -5.654 184 HD2 HIS 101 HD2 HIS 101 5.664 11.975 -8.096 185 HE1 HIS 101 HE1 HIS 101 8.796 9.150 -7.346 186 HE2 HIS 101 HE2 HIS 101 6.775 9.700 -8.840 187 H LYS 102 H LYS 102 9.426 13.752 -8.287 188 HA LYS 102 HA LYS 102 9.352 15.996 -9.837 189 HB2 LYS 102 HB2 LYS 102 10.717 13.814 -10.105 190 HB3 LYS 102 HB3 LYS 102 9.394 13.247 -11.121 191 HG2 LYS 102 HG2 LYS 102 10.967 14.163 -12.566 192 HG3 LYS 102 HG3 LYS 102 9.726 15.430 -12.461 193 HD2 LYS 102 HD2 LYS 102 11.116 16.758 -10.953 194 HD3 LYS 102 HD3 LYS 102 12.237 15.388 -10.706 195 HE2 LYS 102 HE2 LYS 102 12.671 15.361 -13.130 196 HE3 LYS 102 HE3 LYS 102 11.690 16.834 -13.312 197 HZ1 LYS 102 HZ1 LYS 102 14.106 17.339 -13.101 198 HZ2 LYS 102 HZ2 LYS 102 13.297 17.970 -11.824 199 HZ3 LYS 102 HZ3 LYS 102 14.161 16.582 -11.646 200 H THR 103 H THR 103 7.281 13.290 -10.997 201 HA THR 103 HA THR 103 5.864 14.874 -12.843 202 HB THR 103 HB THR 103 4.816 12.373 -11.481 203 HG1 THR 103 HG1 THR 103 5.868 11.337 -13.226 204 HG21 THR 103 HG21 THR 103 3.733 12.114 -13.818 205 HG22 THR 103 HG22 THR 103 3.079 13.379 -12.774 206 HG23 THR 103 HG23 THR 103 4.195 13.827 -14.075 207 H LEU 104 H LEU 104 5.017 14.140 -9.479 208 HA LEU 104 HA LEU 104 2.428 15.305 -9.429 209 HB2 LEU 104 HB2 LEU 104 3.422 13.737 -7.751 210 HB3 LEU 104 HB3 LEU 104 4.513 15.023 -7.219 211 HG LEU 104 HG LEU 104 2.586 16.331 -6.403 212 HD11 LEU 104 HD11 LEU 104 0.951 13.898 -7.257 213 HD12 LEU 104 HD12 LEU 104 0.351 15.221 -6.253 214 HD13 LEU 104 HD13 LEU 104 0.821 15.533 -7.931 215 HD21 LEU 104 HD21 LEU 104 3.730 14.724 -4.906 216 HD22 LEU 104 HD22 LEU 104 2.015 14.885 -4.513 217 HD23 LEU 104 HD23 LEU 104 2.572 13.458 -5.395 218 H LYS 105 H LYS 105 5.664 16.777 -8.975 219 HA LYS 105 HA LYS 105 4.624 19.436 -8.348 220 HB2 LYS 105 HB2 LYS 105 7.358 18.368 -9.157 221 HB3 LYS 105 HB3 LYS 105 7.065 20.079 -8.971 222 HG2 LYS 105 HG2 LYS 105 6.707 17.974 -6.784 223 HG3 LYS 105 HG3 LYS 105 8.092 19.044 -6.966 224 HD2 LYS 105 HD2 LYS 105 5.255 19.805 -6.173 225 HD3 LYS 105 HD3 LYS 105 6.721 19.897 -5.205 226 HE2 LYS 105 HE2 LYS 105 7.625 21.624 -6.828 227 HE3 LYS 105 HE3 LYS 105 6.067 21.597 -7.664 228 HZ1 LYS 105 HZ1 LYS 105 6.520 22.433 -4.839 229 HZ2 LYS 105 HZ2 LYS 105 6.025 23.398 -6.073 230 HZ3 LYS 105 HZ3 LYS 105 5.044 22.219 -5.447 231 H GLU 106 H GLU 106 5.399 17.796 -11.431 232 HA GLU 106 HA GLU 106 5.258 20.240 -12.950 233 HB2 GLU 106 HB2 GLU 106 4.507 17.487 -13.968 234 HB3 GLU 106 HB3 GLU 106 5.066 18.900 -14.902 235 HG2 GLU 106 HG2 GLU 106 7.235 18.644 -13.493 236 HG3 GLU 106 HG3 GLU 106 6.534 17.074 -13.050 237 H TRP 107 H TRP 107 2.933 17.701 -12.151 238 HA TRP 107 HA TRP 107 0.705 18.849 -13.522 239 HB2 TRP 107 HB2 TRP 107 0.699 17.170 -10.996 240 HB3 TRP 107 HB3 TRP 107 -0.713 17.536 -11.986 241 HD1 TRP 107 HD1 TRP 107 2.011 16.754 -14.347 242 HE1 TRP 107 HE1 TRP 107 1.885 14.316 -15.118 243 HE3 TRP 107 HE3 TRP 107 -1.431 14.983 -10.978 244 HZ2 TRP 107 HZ2 TRP 107 0.687 11.886 -14.245 245 HZ3 TRP 107 HZ3 TRP 107 -2.115 12.602 -11.067 246 HH2 TRP 107 HH2 TRP 107 -1.006 11.026 -12.645 247 H LYS 108 H LYS 108 1.907 19.598 -10.248 248 HA LYS 108 HA LYS 108 -0.210 21.460 -9.563 249 HB2 LYS 108 HB2 LYS 108 2.693 21.277 -8.653 250 HB3 LYS 108 HB3 LYS 108 1.526 22.448 -8.023 251 HG2 LYS 108 HG2 LYS 108 0.014 20.557 -7.410 252 HG3 LYS 108 HG3 LYS 108 1.276 19.420 -7.879 253 HD2 LYS 108 HD2 LYS 108 2.838 20.537 -6.265 254 HD3 LYS 108 HD3 LYS 108 1.514 21.608 -5.760 255 HE2 LYS 108 HE2 LYS 108 0.174 19.457 -5.230 256 HE3 LYS 108 HE3 LYS 108 1.653 18.563 -5.557 257 HZ1 LYS 108 HZ1 LYS 108 1.168 20.477 -3.360 258 HZ2 LYS 108 HZ2 LYS 108 1.724 18.916 -3.307 259 HZ3 LYS 108 HZ3 LYS 108 2.700 20.155 -3.844 260 H ALA 109 H ALA 109 2.855 21.841 -11.411 261 HA ALA 109 HA ALA 109 2.764 24.697 -11.602 262 HB1 ALA 109 HB1 ALA 109 4.773 23.210 -12.048 263 HB2 ALA 109 HB2 ALA 109 3.994 22.688 -13.561 264 HB3 ALA 109 HB3 ALA 109 4.427 24.382 -13.353 265 H LYS 110 H LYS 110 1.817 22.064 -13.781 266 HA LYS 110 HA LYS 110 0.972 23.666 -15.826 267 HB2 LYS 110 HB2 LYS 110 0.753 20.734 -15.204 268 HB3 LYS 110 HB3 LYS 110 0.048 21.377 -16.704 269 HG2 LYS 110 HG2 LYS 110 2.256 22.308 -17.350 270 HG3 LYS 110 HG3 LYS 110 2.970 21.676 -15.863 271 HD2 LYS 110 HD2 LYS 110 3.584 20.103 -17.506 272 HD3 LYS 110 HD3 LYS 110 2.268 19.353 -16.611 273 HE2 LYS 110 HE2 LYS 110 1.743 18.896 -18.865 274 HE3 LYS 110 HE3 LYS 110 0.685 20.246 -18.439 275 HZ1 LYS 110 HZ1 LYS 110 1.772 20.578 -20.605 276 HZ2 LYS 110 HZ2 LYS 110 2.265 21.745 -19.580 277 HZ3 LYS 110 HZ3 LYS 110 3.258 20.488 -19.940 278 H TRP 111 H TRP 111 -0.945 22.163 -13.269 279 HA TRP 111 HA TRP 111 -3.429 23.494 -14.312 280 HB2 TRP 111 HB2 TRP 111 -3.238 20.683 -13.204 281 HB3 TRP 111 HB3 TRP 111 -4.717 21.513 -13.672 282 HD1 TRP 111 HD1 TRP 111 -5.041 22.014 -16.337 283 HE1 TRP 111 HE1 TRP 111 -4.156 20.815 -18.423 284 HE3 TRP 111 HE3 TRP 111 -1.343 19.278 -14.160 285 HZ2 TRP 111 HZ2 TRP 111 -2.035 18.942 -19.079 286 HZ3 TRP 111 HZ3 TRP 111 0.193 17.872 -15.557 287 HH2 TRP 111 HH2 TRP 111 -0.189 17.646 -17.981 288 H GLY 112 H GLY 112 -2.109 21.926 -11.309 289 HA2 GLY 112 HA2 GLY 112 -1.887 23.889 -9.606 290 HA3 GLY 112 HA3 GLY 112 -3.639 23.930 -9.670 291 HA PRO 113 HA PRO 113 -1.911 20.699 -6.556 292 HB2 PRO 113 HB2 PRO 113 -2.187 22.111 -4.170 293 HB3 PRO 113 HB3 PRO 113 -0.686 21.957 -5.123 294 HG2 PRO 113 HG2 PRO 113 -2.677 24.223 -5.127 295 HG3 PRO 113 HG3 PRO 113 -0.880 24.297 -5.115 296 HD2 PRO 113 HD2 PRO 113 -2.336 24.658 -7.384 297 HD3 PRO 113 HD3 PRO 113 -0.760 23.807 -7.408 298 H GLU 114 H GLU 114 -4.646 22.979 -6.320 299 HA GLU 114 HA GLU 114 -6.364 21.410 -4.673 300 HB2 GLU 114 HB2 GLU 114 -7.247 23.178 -6.967 301 HB3 GLU 114 HB3 GLU 114 -8.101 22.774 -5.454 302 HG2 GLU 114 HG2 GLU 114 -6.259 24.036 -4.227 303 HG3 GLU 114 HG3 GLU 114 -5.657 24.531 -5.821 304 H ALA 115 H ALA 115 -6.003 21.681 -8.141 305 HA ALA 115 HA ALA 115 -7.938 19.832 -9.051 306 HB1 ALA 115 HB1 ALA 115 -6.805 19.987 -11.151 307 HB2 ALA 115 HB2 ALA 115 -6.563 21.570 -10.368 308 HB3 ALA 115 HB3 ALA 115 -5.248 20.347 -10.397 309 H VAL 116 H VAL 116 -4.451 19.487 -8.602 310 HA VAL 116 HA VAL 116 -4.130 16.864 -9.209 311 HB VAL 116 HB VAL 116 -2.615 18.809 -7.485 312 HG11 VAL 116 HG11 VAL 116 -1.928 16.658 -6.551 313 HG12 VAL 116 HG12 VAL 116 -1.580 16.043 -8.184 314 HG13 VAL 116 HG13 VAL 116 -0.639 17.401 -7.495 315 HG21 VAL 116 HG21 VAL 116 -1.157 18.899 -9.423 316 HG22 VAL 116 HG22 VAL 116 -1.990 17.508 -10.160 317 HG23 VAL 116 HG23 VAL 116 -2.829 19.053 -10.017 318 H GLU 117 H GLU 117 -4.709 18.201 -5.918 319 HA GLU 117 HA GLU 117 -4.757 15.628 -4.583 320 HB2 GLU 117 HB2 GLU 117 -5.813 18.414 -3.943 321 HB3 GLU 117 HB3 GLU 117 -6.123 17.058 -2.865 322 HG2 GLU 117 HG2 GLU 117 -3.280 17.678 -3.711 323 HG3 GLU 117 HG3 GLU 117 -4.075 18.620 -2.459 324 H SER 118 H SER 118 -7.251 17.567 -6.242 325 HA SER 118 HA SER 118 -9.521 16.080 -5.246 326 HB2 SER 118 HB2 SER 118 -9.659 18.367 -6.235 327 HB3 SER 118 HB3 SER 118 -9.298 17.675 -7.833 328 HG SER 118 HG SER 118 -11.578 17.933 -7.408 329 H TRP 119 H TRP 119 -7.366 15.660 -8.028 330 HA TRP 119 HA TRP 119 -8.817 13.454 -9.220 331 HB2 TRP 119 HB2 TRP 119 -5.851 14.062 -9.452 332 HB3 TRP 119 HB3 TRP 119 -6.856 13.116 -10.537 333 HD1 TRP 119 HD1 TRP 119 -9.151 15.586 -10.646 334 HE1 TRP 119 HE1 TRP 119 -8.645 17.554 -12.207 335 HE3 TRP 119 HE3 TRP 119 -4.125 14.843 -11.276 336 HZ2 TRP 119 HZ2 TRP 119 -6.338 18.698 -13.526 337 HZ3 TRP 119 HZ3 TRP 119 -2.803 16.368 -12.734 338 HH2 TRP 119 HH2 TRP 119 -3.895 18.299 -13.845 339 H ALA 120 H ALA 120 -6.990 13.501 -6.269 340 HA ALA 120 HA ALA 120 -5.564 11.096 -6.647 341 HB1 ALA 120 HB1 ALA 120 -6.272 12.291 -3.961 342 HB2 ALA 120 HB2 ALA 120 -4.837 11.338 -4.417 343 HB3 ALA 120 HB3 ALA 120 -5.036 12.995 -5.027 344 H THR 121 H THR 121 -5.590 9.467 -5.185 345 HA THR 121 HA THR 121 -8.123 8.031 -4.361 346 HB THR 121 HB THR 121 -5.814 6.980 -6.023 347 HG1 THR 121 HG1 THR 121 -8.519 7.426 -6.828 348 HG21 THR 121 HG21 THR 121 -6.743 5.189 -4.692 349 HG22 THR 121 HG22 THR 121 -8.400 5.786 -4.966 350 HG23 THR 121 HG23 THR 121 -7.473 5.015 -6.296 351 H LEU 122 H LEU 122 -7.783 6.707 -2.587 352 HA LEU 122 HA LEU 122 -5.155 7.069 -1.181 353 HB2 LEU 122 HB2 LEU 122 -7.390 8.040 -0.329 354 HB3 LEU 122 HB3 LEU 122 -7.784 6.392 0.137 355 HG LEU 122 HG LEU 122 -5.335 7.988 1.033 356 HD11 LEU 122 HD11 LEU 122 -6.479 8.128 3.203 357 HD12 LEU 122 HD12 LEU 122 -7.494 8.827 1.934 358 HD13 LEU 122 HD13 LEU 122 -7.859 7.203 2.558 359 HD21 LEU 122 HD21 LEU 122 -4.662 5.752 1.230 360 HD22 LEU 122 HD22 LEU 122 -5.205 6.172 2.845 361 HD23 LEU 122 HD23 LEU 122 -6.264 5.203 1.799 362 H LEU 123 H LEU 123 -3.916 5.408 -0.976 363 HA LEU 123 HA LEU 123 -4.920 2.620 -1.368 364 HB2 LEU 123 HB2 LEU 123 -2.312 3.945 -2.243 365 HB3 LEU 123 HB3 LEU 123 -2.716 2.242 -2.459 366 HG LEU 123 HG LEU 123 -4.100 4.639 -3.739 367 HD11 LEU 123 HD11 LEU 123 -3.134 3.632 -5.813 368 HD12 LEU 123 HD12 LEU 123 -1.893 4.137 -4.638 369 HD13 LEU 123 HD13 LEU 123 -2.305 2.424 -4.817 370 HD21 LEU 123 HD21 LEU 123 -4.636 1.646 -4.096 371 HD22 LEU 123 HD22 LEU 123 -5.766 2.831 -3.409 372 HD23 LEU 123 HD23 LEU 123 -5.315 2.939 -5.112 373 H GLY 124 H GLY 124 -4.606 1.282 0.164 374 HA2 GLY 124 HA2 GLY 124 -3.311 2.063 2.651 375 HA3 GLY 124 HA3 GLY 124 -4.208 0.582 2.346 376 H HIS 125 H HIS 125 -2.176 0.213 -0.047 377 HA HIS 125 HA HIS 125 0.313 -0.534 1.343 378 HB2 HIS 125 HB2 HIS 125 -1.053 -2.430 1.770 379 HB3 HIS 125 HB3 HIS 125 -1.542 -2.562 0.078 380 HD1 HIS 125 HD1 HIS 125 0.337 -3.570 -1.617 381 HD2 HIS 125 HD2 HIS 125 1.361 -3.370 2.471 382 HE1 HIS 125 HE1 HIS 125 2.462 -5.011 -1.331 383 HE2 HIS 125 HE2 HIS 125 3.078 -4.882 1.170 384 H5' DC 1 H5' DC 1 -4.392 29.591 7.302 385 H5'' DC 1 H5'' DC 1 -2.933 30.336 6.669 386 H4' DC 1 H4' DC 1 -2.779 30.254 9.051 387 H3' DC 1 H3' DC 1 -0.864 29.084 7.384 388 H2' DC 1 H2' DC 1 -1.115 26.919 7.924 389 H2'' DC 1 H2'' DC 1 -0.196 27.278 9.371 390 H1' DC 1 H1' DC 1 -2.031 27.532 10.737 391 H41 DC 1 H41 DC 1 -4.895 21.949 8.602 392 H42 DC 1 H42 DC 1 -4.870 21.943 10.369 393 H5 DC 1 H5 DC 1 -3.967 23.851 7.300 394 H6 DC 1 H6 DC 1 -2.962 26.043 7.531 395 HO5' DC 1 H5T DC 1 -3.574 28.463 5.425 396 H5' DG 2 H5' DG 2 0.209 29.256 12.044 397 H5'' DG 2 H5'' DG 2 1.784 30.041 12.160 398 H4' DG 2 H4' DG 2 1.767 28.501 13.899 399 H3' DG 2 H3' DG 2 3.685 28.137 11.879 400 H2' DG 2 H2' DG 2 2.655 26.267 10.957 401 H2'' DG 2 H2'' DG 2 3.664 25.419 12.138 402 H1' DG 2 H1' DG 2 1.914 25.332 13.757 403 H8 DG 2 H8 DG 2 0.779 25.516 10.105 404 H1 DG 2 H1 DG 2 -1.500 20.471 13.403 405 H21 DG 2 H21 DG 2 0.299 21.858 15.982 406 H22 DG 2 H22 DG 2 -0.739 20.542 15.432 407 H5' DC 3 H5' DC 3 4.021 25.594 15.844 408 H5'' DC 3 H5'' DC 3 5.700 25.522 16.370 409 H4' DC 3 H4' DC 3 4.593 23.473 16.961 410 H3' DC 3 H3' DC 3 6.853 23.440 15.117 411 H2' DC 3 H2' DC 3 6.029 21.977 13.621 412 H2'' DC 3 H2'' DC 3 5.964 20.735 14.883 413 H1' DC 3 H1' DC 3 3.759 21.059 15.356 414 H41 DC 3 H41 DC 3 1.671 21.729 9.110 415 H42 DC 3 H42 DC 3 0.978 20.268 9.828 416 H5 DC 3 H5 DC 3 3.333 23.070 10.324 417 H6 DC 3 H6 DC 3 4.425 23.328 12.543 418 H5' DA 4 H5' DA 4 6.012 19.646 17.413 419 H5'' DA 4 H5'' DA 4 7.434 18.890 18.130 420 H4' DA 4 H4' DA 4 6.101 17.165 17.232 421 H3' DA 4 H3' DA 4 8.725 17.595 16.115 422 H2' DA 4 H2' DA 4 7.964 17.944 13.996 423 H2'' DA 4 H2'' DA 4 7.885 16.182 13.900 424 H1' DA 4 H1' DA 4 5.580 16.118 14.550 425 H8 DA 4 H8 DA 4 6.699 19.391 12.920 426 H61 DA 4 H61 DA 4 2.334 18.006 8.639 427 H62 DA 4 H62 DA 4 3.481 19.239 9.131 428 H2 DA 4 H2 DA 4 2.481 14.747 11.502 429 H5' DT 5 H5' DT 5 6.880 13.330 15.553 430 H5'' DT 5 H5'' DT 5 8.105 12.079 15.769 431 H4' DT 5 H4' DT 5 6.690 11.479 13.921 432 H3' DT 5 H3' DT 5 9.527 11.922 13.505 433 H2' DT 5 H2' DT 5 9.292 13.363 11.776 434 H2'' DT 5 H2'' DT 5 8.816 11.969 10.797 435 H1' DT 5 H1' DT 5 6.513 12.251 11.203 436 H3 DT 5 H3 DT 5 5.067 15.494 8.405 437 H71 DT 5 H71 DT 5 9.357 17.406 11.175 438 H72 DT 5 H72 DT 5 9.145 17.819 9.461 439 H73 DT 5 H73 DT 5 8.084 18.550 10.665 440 H6 DT 5 H6 DT 5 8.573 15.339 11.722 441 H5' DA 6 H5' DA 6 7.168 8.917 10.628 442 H5'' DA 6 H5'' DA 6 8.207 7.494 10.525 443 H4' DA 6 H4' DA 6 7.013 7.662 8.500 444 H3' DA 6 H3' DA 6 9.811 7.588 8.456 445 H2' DA 6 H2' DA 6 10.203 9.754 7.849 446 H2'' DA 6 H2'' DA 6 9.911 9.192 6.219 447 H1' DA 6 H1' DA 6 7.729 9.962 6.131 448 H8 DA 6 H8 DA 6 9.939 11.620 8.802 449 H61 DA 6 H61 DA 6 8.010 16.922 6.109 450 H62 DA 6 H62 DA 6 9.173 16.257 7.253 451 H2 DA 6 H2 DA 6 5.745 13.657 4.364 452 H5' DT 7 H5' DT 7 7.118 7.658 4.977 453 H5'' DT 7 H5'' DT 7 7.431 6.538 3.648 454 H4' DT 7 H4' DT 7 6.388 8.599 2.881 455 H3' DT 7 H3' DT 7 8.743 7.515 1.739 456 H2' DT 7 H2' DT 7 10.102 9.273 2.462 457 H2'' DT 7 H2'' DT 7 9.544 10.016 0.943 458 H1' DT 7 H1' DT 7 7.678 11.079 2.004 459 H3 DT 7 H3 DT 7 9.630 14.928 3.321 460 H71 DT 7 H71 DT 7 12.117 10.821 5.901 461 H72 DT 7 H72 DT 7 13.039 12.258 5.399 462 H73 DT 7 H73 DT 7 11.905 12.377 6.745 463 H6 DT 7 H6 DT 7 10.416 10.302 4.383 464 H5' DA 8 H5' DA 8 7.407 10.700 -1.469 465 H5'' DA 8 H5'' DA 8 7.543 9.859 -3.012 466 H4' DA 8 H4' DA 8 8.754 11.831 -3.313 467 H3' DA 8 H3' DA 8 10.497 9.460 -3.008 468 H2' DA 8 H2' DA 8 11.914 10.491 -1.584 469 H2'' DA 8 H2'' DA 8 12.416 11.501 -2.965 470 H1' DA 8 H1' DA 8 10.920 13.218 -2.456 471 H8 DA 8 H8 DA 8 11.590 11.048 0.762 472 H61 DA 8 H61 DA 8 13.255 16.665 3.057 473 H62 DA 8 H62 DA 8 13.056 14.989 3.571 474 H2 DA 8 H2 DA 8 12.083 17.218 -0.963 475 H5' DT 9 H5' DT 9 10.893 13.001 -5.857 476 H5'' DT 9 H5'' DT 9 11.500 12.447 -7.426 477 H4' DT 9 H4' DT 9 11.957 14.776 -7.216 478 H3' DT 9 H3' DT 9 14.006 12.924 -7.666 479 H2' DT 9 H2' DT 9 15.052 13.095 -5.660 480 H2'' DT 9 H2'' DT 9 15.822 14.525 -6.344 481 H1' DT 9 H1' DT 9 14.301 16.026 -5.413 482 H3 DT 9 H3 DT 9 15.253 16.495 -1.025 483 H71 DT 9 H71 DT 9 15.962 11.723 -0.982 484 H72 DT 9 H72 DT 9 14.286 11.797 -0.445 485 H73 DT 9 H73 DT 9 14.673 11.165 -2.065 486 H6 DT 9 H6 DT 9 14.209 12.666 -3.773 487 H5' DG 10 H5' DG 10 14.828 17.517 -7.773 488 H5'' DG 10 H5'' DG 10 15.649 17.894 -9.289 489 H4' DG 10 H4' DG 10 16.393 19.481 -7.720 490 H3' DG 10 H3' DG 10 18.259 17.783 -8.959 491 H2' DG 10 H2' DG 10 18.675 16.508 -7.057 492 H2'' DG 10 H2'' DG 10 19.899 17.757 -6.766 493 H1' DG 10 H1' DG 10 18.448 19.031 -5.372 494 H8 DG 10 H8 DG 10 17.734 15.271 -5.491 495 H1 DG 10 H1 DG 10 19.020 17.645 0.359 496 H21 DG 10 H21 DG 10 19.394 20.587 -1.367 497 H22 DG 10 H22 DG 10 19.527 19.730 0.171 498 H5' DC 11 H5' DC 11 19.712 21.623 -6.561 499 H5'' DC 11 H5'' DC 11 20.815 22.468 -7.648 500 H4' DC 11 H4' DC 11 21.388 23.049 -5.424 501 H3' DC 11 H3' DC 11 23.278 21.954 -7.160 502 H2' DC 11 H2' DC 11 23.488 19.887 -6.167 503 H2'' DC 11 H2'' DC 11 24.616 20.701 -5.087 504 H1' DC 11 H1' DC 11 23.055 21.059 -3.416 505 H41 DC 11 H41 DC 11 21.009 14.777 -3.198 506 H42 DC 11 H42 DC 11 21.359 15.337 -1.556 507 H5 DC 11 H5 DC 11 21.361 16.200 -5.127 508 H6 DC 11 H6 DC 11 21.939 18.522 -5.808 509 H5' DG 12 H5' DG 12 25.288 23.231 -3.185 510 H5'' DG 12 H5'' DG 12 26.911 23.885 -3.396 511 H4' DG 12 H4' DG 12 26.977 22.237 -1.668 512 H3' DG 12 H3' DG 12 28.276 21.361 -4.233 513 HO3' DG 12 H3T DG 12 30.150 21.605 -2.892 514 H2' DG 12 H2' DG 12 28.274 19.194 -3.649 515 H2'' DG 12 H2'' DG 12 28.846 19.542 -1.999 516 H1' DG 12 H1' DG 12 26.741 19.635 -1.116 517 H8 DG 12 H8 DG 12 26.015 18.690 -4.768 518 H1 DG 12 H1 DG 12 24.459 14.289 -0.312 519 H21 DG 12 H21 DG 12 25.873 16.595 1.824 520 H22 DG 12 H22 DG 12 25.222 14.968 1.642 521 H5' DC 13 H5' DC 13 24.728 7.511 4.647 522 H5'' DC 13 H5'' DC 13 24.088 7.600 6.279 523 H4' DC 13 H4' DC 13 25.517 9.483 5.884 524 H3' DC 13 H3' DC 13 22.894 9.724 6.767 525 H2' DC 13 H2' DC 13 22.009 10.628 4.815 526 H2'' DC 13 H2'' DC 13 22.550 12.158 5.537 527 H1' DC 13 H1' DC 13 24.616 12.119 4.423 528 H41 DC 13 H41 DC 13 21.906 11.729 -1.589 529 H42 DC 13 H42 DC 13 23.151 12.982 -1.615 530 H5 DC 13 H5 DC 13 21.384 10.448 0.429 531 H6 DC 13 H6 DC 13 22.053 10.095 2.745 532 HO5' DC 13 H5T DC 13 22.466 6.979 4.705 533 H5' DG 14 H5' DG 14 25.611 13.889 7.097 534 H5'' DG 14 H5'' DG 14 25.324 14.287 8.789 535 H4' DG 14 H4' DG 14 25.675 16.328 7.760 536 H3' DG 14 H3' DG 14 23.222 15.903 8.991 537 H2' DG 14 H2' DG 14 21.966 15.598 7.045 538 H2'' DG 14 H2'' DG 14 21.810 17.336 7.117 539 H1' DG 14 H1' DG 14 23.503 17.737 5.583 540 H8 DG 14 H8 DG 14 21.991 14.236 5.398 541 H1 DG 14 H1 DG 14 22.260 17.405 -0.207 542 H21 DG 14 H21 DG 14 23.780 19.820 1.700 543 H22 DG 14 H22 DG 14 23.160 19.345 0.116 544 H5' DC 15 H5' DC 15 23.782 20.028 7.092 545 H5'' DC 15 H5'' DC 15 23.084 21.410 7.937 546 H4' DC 15 H4' DC 15 22.648 21.526 5.554 547 H3' DC 15 H3' DC 15 20.305 21.181 7.368 548 H2' DC 15 H2' DC 15 19.007 20.266 5.789 549 H2'' DC 15 H2'' DC 15 19.349 21.582 4.645 550 H1' DC 15 H1' DC 15 21.090 20.536 3.641 551 H41 DC 15 H41 DC 15 18.314 14.560 3.203 552 H42 DC 15 H42 DC 15 18.368 15.331 1.610 553 H5 DC 15 H5 DC 15 18.997 15.798 5.228 554 H6 DC 15 H6 DC 15 20.012 17.933 5.985 555 H5' DA 16 H5' DA 16 20.425 23.709 3.751 556 H5'' DA 16 H5'' DA 16 19.850 25.365 3.970 557 H4' DA 16 H4' DA 16 19.283 24.734 1.784 558 H3' DA 16 H3' DA 16 17.233 25.418 3.625 559 H2' DA 16 H2' DA 16 16.385 23.270 3.738 560 H2'' DA 16 H2'' DA 16 15.415 23.808 2.370 561 H1' DA 16 H1' DA 16 16.972 22.931 0.760 562 H8 DA 16 H8 DA 16 17.096 21.237 4.175 563 H61 DA 16 H61 DA 16 15.596 16.054 0.993 564 H62 DA 16 H62 DA 16 16.147 16.625 2.562 565 H2 DA 16 H2 DA 16 15.283 19.403 -1.718 566 H5' DT 17 H5' DT 17 15.884 24.926 -0.768 567 H5'' DT 17 H5'' DT 17 14.865 26.268 -1.284 568 H4' DT 17 H4' DT 17 14.029 24.273 -2.271 569 H3' DT 17 H3' DT 17 12.357 25.822 -0.535 570 H2' DT 17 H2' DT 17 12.046 24.142 0.998 571 H2'' DT 17 H2'' DT 17 10.808 23.558 -0.120 572 H1' DT 17 H1' DT 17 12.337 22.126 -1.274 573 H3 DT 17 H3 DT 17 12.731 18.297 1.111 574 H71 DT 17 H71 DT 17 13.592 22.485 4.477 575 H72 DT 17 H72 DT 17 12.665 21.092 5.058 576 H73 DT 17 H73 DT 17 14.406 20.932 4.776 577 H6 DT 17 H6 DT 17 13.223 22.938 2.271 578 H5' DA 18 H5' DA 18 10.486 22.550 -2.923 579 H5'' DA 18 H5'' DA 18 9.153 23.131 -3.918 580 H4' DA 18 H4' DA 18 8.471 21.023 -3.279 581 H3' DA 18 H3' DA 18 7.013 23.160 -1.911 582 H2' DA 18 H2' DA 18 7.473 22.353 0.147 583 H2'' DA 18 H2'' DA 18 6.176 21.191 -0.211 584 H1' DA 18 H1' DA 18 7.694 19.558 -0.980 585 H8 DA 18 H8 DA 18 9.035 21.944 1.720 586 H61 DA 18 H61 DA 18 10.670 16.513 4.477 587 H62 DA 18 H62 DA 18 10.619 18.251 4.793 588 H2 DA 18 H2 DA 18 9.301 15.632 0.545 589 H5' DT 19 H5' DT 19 5.734 18.849 -2.433 590 H5'' DT 19 H5'' DT 19 4.194 18.841 -3.300 591 H4' DT 19 H4' DT 19 3.881 17.069 -1.810 592 H3' DT 19 H3' DT 19 2.376 19.429 -1.148 593 H2' DT 19 H2' DT 19 3.708 19.969 0.638 594 H2'' DT 19 H2'' DT 19 2.510 18.946 1.474 595 H1' DT 19 H1' DT 19 3.843 16.932 1.071 596 H3 DT 19 H3 DT 19 6.700 16.460 4.476 597 H71 DT 19 H71 DT 19 6.010 21.333 4.766 598 H72 DT 19 H72 DT 19 7.691 21.153 4.277 599 H73 DT 19 H73 DT 19 6.500 21.740 3.097 600 H6 DT 19 H6 DT 19 5.408 20.197 1.734 601 H5' DA 20 H5' DA 20 -1.471 15.681 -0.231 602 H5'' DA 20 H5'' DA 20 -0.157 16.434 0.666 603 H4' DA 20 H4' DA 20 -0.079 13.498 -0.119 604 H3' DA 20 H3' DA 20 -1.997 14.660 1.513 605 H2' DA 20 H2' DA 20 -0.574 15.687 2.977 606 H2'' DA 20 H2'' DA 20 -0.683 14.155 3.857 607 H1' DA 20 H1' DA 20 1.338 13.317 3.000 608 H8 DA 20 H8 DA 20 1.527 17.094 2.123 609 H61 DA 20 H61 DA 20 4.948 17.617 7.295 610 H62 DA 20 H62 DA 20 4.202 18.541 5.987 611 H2 DA 20 H2 DA 20 3.757 13.483 6.951 612 H5' DT 21 H5' DT 21 -0.310 11.334 3.991 613 H5'' DT 21 H5'' DT 21 -1.613 10.146 4.087 614 H4' DT 21 H4' DT 21 -0.570 9.970 6.149 615 H3' DT 21 H3' DT 21 -3.193 10.851 6.128 616 H2' DT 21 H2' DT 21 -2.812 13.071 6.622 617 H2'' DT 21 H2'' DT 21 -2.854 12.471 8.294 618 H1' DT 21 H1' DT 21 -0.567 12.269 8.468 619 H3 DT 21 H3 DT 21 1.708 16.116 8.857 620 H71 DT 21 H71 DT 21 -0.299 17.557 4.675 621 H72 DT 21 H72 DT 21 -1.876 16.725 4.774 622 H73 DT 21 H73 DT 21 -1.499 18.074 5.859 623 H6 DT 21 H6 DT 21 -1.690 14.638 5.758 624 H5' DG 22 H5' DG 22 -1.460 10.059 10.403 625 H5'' DG 22 H5'' DG 22 -2.668 9.239 11.409 626 H4' DG 22 H4' DG 22 -1.615 10.869 12.760 627 H3' DG 22 H3' DG 22 -4.429 11.200 12.220 628 H2' DG 22 H2' DG 22 -4.117 13.253 11.176 629 H2'' DG 22 H2'' DG 22 -4.119 13.870 12.847 630 H1' DG 22 H1' DG 22 -1.734 13.673 13.019 631 H8 DG 22 H8 DG 22 -3.109 14.449 9.520 632 H1 DG 22 H1 DG 22 0.909 18.826 12.033 633 H21 DG 22 H21 DG 22 0.987 16.604 14.660 634 H22 DG 22 H22 DG 22 1.520 18.160 14.017 635 H5' DC 23 H5' DC 23 -2.051 12.784 15.981 636 H5'' DC 23 H5'' DC 23 -3.028 12.326 17.373 637 H4' DC 23 H4' DC 23 -1.652 14.128 18.029 638 H3' DC 23 H3' DC 23 -4.433 14.297 18.253 639 H2' DC 23 H2' DC 23 -4.805 15.843 16.593 640 H2'' DC 23 H2'' DC 23 -4.401 17.033 17.811 641 H1' DC 23 H1' DC 23 -2.192 17.258 17.141 642 H41 DC 23 H41 DC 23 -3.944 18.263 10.837 643 H42 DC 23 H42 DC 23 -2.899 19.588 11.376 644 H5 DC 23 H5 DC 23 -4.556 16.435 12.327 645 H6 DC 23 H6 DC 23 -4.164 15.519 14.609 646 H5' DG 24 H5' DG 24 -2.528 18.006 20.199 647 H5'' DG 24 H5'' DG 24 -3.366 18.528 21.660 648 H4' DG 24 H4' DG 24 -3.103 20.434 20.271 649 H3' DG 24 H3' DG 24 -5.941 19.404 20.192 650 HO3' DG 24 H3T DG 24 -5.312 20.560 22.094 651 H2' DG 24 H2' DG 24 -6.453 20.647 18.411 652 H2'' DG 24 H2'' DG 24 -5.607 22.084 19.037 653 H1' DG 24 H1' DG 24 -3.646 21.585 17.984 654 H8 DG 24 H8 DG 24 -5.909 18.756 16.707 655 H1 DG 24 H1 DG 24 -4.066 23.163 12.361 656 H21 DG 24 H21 DG 24 -2.443 24.515 15.089 657 H22 DG 24 H22 DG 24 -2.888 24.707 13.396 Start of MODEL 18 1 H ALA 79 H1 ALA 79 -1.886 6.147 9.066 2 HA ALA 79 HA ALA 79 1.025 5.864 9.545 3 HB1 ALA 79 HB1 ALA 79 -0.180 3.716 9.494 4 HB2 ALA 79 HB2 ALA 79 -1.024 4.194 8.011 5 HB3 ALA 79 HB3 ALA 79 0.741 3.909 7.991 6 H ARG 80 H ARG 80 2.362 6.046 7.720 7 HA ARG 80 HA ARG 80 1.839 8.229 5.902 8 HB2 ARG 80 HB2 ARG 80 4.057 6.155 6.025 9 HB3 ARG 80 HB3 ARG 80 4.060 7.523 4.903 10 HG2 ARG 80 HG2 ARG 80 3.682 7.954 7.876 11 HG3 ARG 80 HG3 ARG 80 5.300 7.756 7.200 12 HD2 ARG 80 HD2 ARG 80 5.153 9.752 5.944 13 HD3 ARG 80 HD3 ARG 80 3.399 9.821 6.080 14 HE ARG 80 HE ARG 80 5.398 10.573 8.150 15 HH11 ARG 80 HH11 ARG 80 1.949 10.400 7.360 16 HH12 ARG 80 HH12 ARG 80 1.570 11.465 8.679 17 HH21 ARG 80 HH22 ARG 80 4.675 12.061 9.674 18 HH22 ARG 80 HH21 ARG 80 2.953 12.251 9.944 19 H LYS 81 H LYS 81 -0.271 7.266 5.182 20 HA LYS 81 HA LYS 81 -0.580 5.178 3.292 21 HB2 LYS 81 HB2 LYS 81 -2.142 7.716 3.968 22 HB3 LYS 81 HB3 LYS 81 -2.724 6.519 2.823 23 HG2 LYS 81 HG2 LYS 81 -3.232 4.961 4.415 24 HG3 LYS 81 HG3 LYS 81 -1.963 5.477 5.538 25 HD2 LYS 81 HD2 LYS 81 -3.204 7.397 6.246 26 HD3 LYS 81 HD3 LYS 81 -4.430 7.172 4.988 27 HE2 LYS 81 HE2 LYS 81 -5.231 5.119 5.992 28 HE3 LYS 81 HE3 LYS 81 -3.870 5.054 7.111 29 HZ1 LYS 81 HZ1 LYS 81 -4.698 7.016 8.239 30 HZ2 LYS 81 HZ2 LYS 81 -5.914 7.219 7.161 31 HZ3 LYS 81 HZ3 LYS 81 -5.921 5.924 8.163 32 H VAL 82 H VAL 82 -0.450 5.116 1.284 33 HA VAL 82 HA VAL 82 0.822 7.134 -0.425 34 HB VAL 82 HB VAL 82 -0.475 4.445 -1.048 35 HG11 VAL 82 HG11 VAL 82 1.104 6.297 -2.881 36 HG12 VAL 82 HG12 VAL 82 0.843 4.572 -3.200 37 HG13 VAL 82 HG13 VAL 82 -0.548 5.646 -3.103 38 HG21 VAL 82 HG21 VAL 82 1.528 4.342 0.391 39 HG22 VAL 82 HG22 VAL 82 1.742 3.560 -1.182 40 HG23 VAL 82 HG23 VAL 82 2.462 5.154 -0.911 41 H LYS 83 H LYS 83 -0.141 8.562 -1.750 42 HA LYS 83 HA LYS 83 -3.020 8.254 -2.409 43 HB2 LYS 83 HB2 LYS 83 -1.344 10.712 -1.974 44 HB3 LYS 83 HB3 LYS 83 -2.503 10.717 -3.325 45 HG2 LYS 83 HG2 LYS 83 -4.351 10.150 -1.888 46 HG3 LYS 83 HG3 LYS 83 -3.293 10.079 -0.463 47 HD2 LYS 83 HD2 LYS 83 -2.818 12.445 -0.584 48 HD3 LYS 83 HD3 LYS 83 -3.476 12.552 -2.221 49 HE2 LYS 83 HE2 LYS 83 -5.087 13.566 -0.809 50 HE3 LYS 83 HE3 LYS 83 -5.750 12.036 -1.392 51 HZ1 LYS 83 HZ1 LYS 83 -6.176 12.244 0.979 52 HZ2 LYS 83 HZ2 LYS 83 -5.016 11.078 0.831 53 HZ3 LYS 83 HZ3 LYS 83 -4.618 12.570 1.333 54 H GLN 84 H GLN 84 -3.420 7.701 -4.439 55 HA GLN 84 HA GLN 84 -1.218 7.679 -6.413 56 HB2 GLN 84 HB2 GLN 84 -2.154 5.688 -6.919 57 HB3 GLN 84 HB3 GLN 84 -3.663 6.038 -6.060 58 HG2 GLN 84 HG2 GLN 84 -4.457 7.300 -7.991 59 HG3 GLN 84 HG3 GLN 84 -2.933 6.968 -8.867 60 HE21 GLN 84 HE21 GLN 84 -2.421 4.517 -9.181 61 HE22 GLN 84 HE22 GLN 84 -3.819 3.485 -9.427 62 H TYR 85 H TYR 85 -1.455 9.006 -8.158 63 HA TYR 85 HA TYR 85 -3.801 10.867 -8.253 64 HB2 TYR 85 HB2 TYR 85 -0.904 11.652 -8.795 65 HB3 TYR 85 HB3 TYR 85 -2.309 12.690 -8.901 66 HD1 TYR 85 HD2 TYR 85 -3.489 13.464 -6.900 67 HD2 TYR 85 HD1 TYR 85 0.161 11.195 -6.641 68 HE1 TYR 85 HE2 TYR 85 -3.138 14.318 -4.585 69 HE2 TYR 85 HE1 TYR 85 0.524 12.023 -4.328 70 HH TYR 85 HH TYR 85 -0.243 13.475 -2.663 71 H LYS 86 H LYS 86 -4.598 11.171 -10.334 72 HA LYS 86 HA LYS 86 -3.106 10.020 -12.656 73 HB2 LYS 86 HB2 LYS 86 -4.689 8.335 -11.976 74 HB3 LYS 86 HB3 LYS 86 -6.000 9.517 -11.834 75 HG2 LYS 86 HG2 LYS 86 -6.087 9.854 -14.225 76 HG3 LYS 86 HG3 LYS 86 -4.594 8.936 -14.472 77 HD2 LYS 86 HD2 LYS 86 -5.740 6.888 -13.582 78 HD3 LYS 86 HD3 LYS 86 -7.241 7.831 -13.439 79 HE2 LYS 86 HE2 LYS 86 -7.133 8.299 -15.902 80 HE3 LYS 86 HE3 LYS 86 -5.657 7.328 -16.009 81 HZ1 LYS 86 HZ1 LYS 86 -8.328 6.284 -15.184 82 HZ2 LYS 86 HZ2 LYS 86 -7.621 6.024 -16.630 83 HZ3 LYS 86 HZ3 LYS 86 -6.968 5.381 -15.279 84 H ASN 87 H ASN 87 -3.148 11.286 -14.438 85 HA ASN 87 HA ASN 87 -4.479 13.940 -14.091 86 HB2 ASN 87 HB2 ASN 87 -2.094 13.810 -14.172 87 HB3 ASN 87 HB3 ASN 87 -2.126 13.094 -15.778 88 HD21 ASN 87 HD22 ASN 87 -0.818 15.566 -14.987 89 HD22 ASN 87 HD21 ASN 87 -1.659 16.855 -15.850 90 HA PRO 88 HA PRO 88 -7.444 12.687 -17.334 91 HB2 PRO 88 HB2 PRO 88 -8.107 15.610 -16.946 92 HB3 PRO 88 HB3 PRO 88 -9.218 14.222 -17.127 93 HG2 PRO 88 HG2 PRO 88 -8.734 15.272 -14.670 94 HG3 PRO 88 HG3 PRO 88 -8.781 13.491 -14.880 95 HD2 PRO 88 HD2 PRO 88 -6.366 15.302 -14.723 96 HD3 PRO 88 HD3 PRO 88 -6.656 13.717 -13.949 97 H HIS 89 H HIS 89 -5.167 15.398 -17.448 98 HA HIS 89 HA HIS 89 -5.686 16.020 -20.282 99 HB2 HIS 89 HB2 HIS 89 -3.654 17.190 -18.348 100 HB3 HIS 89 HB3 HIS 89 -4.140 17.864 -19.896 101 HD1 HIS 89 HD1 HIS 89 -6.800 18.750 -20.009 102 HD2 HIS 89 HD2 HIS 89 -5.098 17.849 -16.247 103 HE1 HIS 89 HE1 HIS 89 -8.333 19.827 -18.242 104 HE2 HIS 89 HE2 HIS 89 -7.289 19.291 -15.955 105 H THR 90 H THR 90 -3.461 13.964 -18.610 106 HA THR 90 HA THR 90 -1.771 13.701 -21.090 107 HB THR 90 HB THR 90 0.127 13.269 -19.678 108 HG1 THR 90 HG1 THR 90 -0.136 13.361 -17.412 109 HG21 THR 90 HG21 THR 90 -1.340 15.640 -18.445 110 HG22 THR 90 HG22 THR 90 0.415 15.364 -18.448 111 HG23 THR 90 HG23 THR 90 -0.423 15.713 -19.973 112 H GLY 91 H GLY 91 -3.617 11.960 -18.671 113 HA2 GLY 91 HA2 GLY 91 -4.257 9.747 -18.600 114 HA3 GLY 91 HA3 GLY 91 -3.306 9.401 -20.044 115 H GLU 92 H GLU 92 -1.461 11.024 -17.565 116 HA GLU 92 HA GLU 92 0.041 8.592 -16.979 117 HB2 GLU 92 HB2 GLU 92 0.489 11.534 -16.487 118 HB3 GLU 92 HB3 GLU 92 1.431 10.318 -15.634 119 HG2 GLU 92 HG2 GLU 92 1.207 10.194 -18.629 120 HG3 GLU 92 HG3 GLU 92 2.347 11.307 -17.845 121 H VAL 93 H VAL 93 0.516 8.053 -14.919 122 HA VAL 93 HA VAL 93 -1.227 8.889 -12.661 123 HB VAL 93 HB VAL 93 -0.413 6.077 -13.349 124 HG11 VAL 93 HG11 VAL 93 -2.222 5.401 -11.718 125 HG12 VAL 93 HG12 VAL 93 -0.920 6.251 -10.923 126 HG13 VAL 93 HG13 VAL 93 -2.437 7.099 -11.280 127 HG21 VAL 93 HG21 VAL 93 -2.873 5.727 -13.933 128 HG22 VAL 93 HG22 VAL 93 -3.052 7.497 -13.831 129 HG23 VAL 93 HG23 VAL 93 -1.991 6.772 -15.054 130 H ILE 94 H ILE 94 -0.343 8.464 -10.642 131 HA ILE 94 HA ILE 94 2.481 7.749 -10.269 132 HB ILE 94 HB ILE 94 1.892 10.012 -8.563 133 HG12 ILE 94 HG12 ILE 94 1.931 10.867 -11.480 134 HG13 ILE 94 HG13 ILE 94 0.498 10.875 -10.440 135 HG21 ILE 94 HG21 ILE 94 4.053 9.841 -10.675 136 HG22 ILE 94 HG22 ILE 94 4.069 10.722 -9.119 137 HG23 ILE 94 HG23 ILE 94 4.125 8.971 -9.114 138 HD11 ILE 94 HD11 ILE 94 1.691 12.355 -8.834 139 HD12 ILE 94 HD12 ILE 94 3.011 12.514 -10.021 140 HD13 ILE 94 HD13 ILE 94 1.386 13.089 -10.430 141 H GLU 95 H GLU 95 2.967 7.679 -7.960 142 HA GLU 95 HA GLU 95 0.802 7.390 -5.987 143 HB2 GLU 95 HB2 GLU 95 2.681 5.214 -6.919 144 HB3 GLU 95 HB3 GLU 95 2.063 5.224 -5.248 145 HG2 GLU 95 HG2 GLU 95 -0.215 5.124 -6.005 146 HG3 GLU 95 HG3 GLU 95 0.275 5.220 -7.701 147 H THR 96 H THR 96 1.477 8.587 -4.287 148 HA THR 96 HA THR 96 4.293 8.405 -3.354 149 HB THR 96 HB THR 96 4.922 10.515 -3.681 150 HG1 THR 96 HG1 THR 96 3.596 12.306 -3.403 151 HG21 THR 96 HG21 THR 96 4.024 11.751 -5.602 152 HG22 THR 96 HG22 THR 96 4.131 10.044 -6.024 153 HG23 THR 96 HG23 THR 96 2.552 10.751 -5.590 154 H LYS 97 H LYS 97 4.543 8.962 -1.106 155 HA LYS 97 HA LYS 97 1.985 9.003 0.462 156 HB2 LYS 97 HB2 LYS 97 4.824 8.686 1.398 157 HB3 LYS 97 HB3 LYS 97 3.381 8.374 2.358 158 HG2 LYS 97 HG2 LYS 97 2.860 6.388 1.117 159 HG3 LYS 97 HG3 LYS 97 4.012 6.773 -0.154 160 HD2 LYS 97 HD2 LYS 97 5.834 6.625 1.707 161 HD3 LYS 97 HD3 LYS 97 4.589 5.818 2.652 162 HE2 LYS 97 HE2 LYS 97 5.874 4.103 1.599 163 HE3 LYS 97 HE3 LYS 97 4.347 4.160 0.715 164 HZ1 LYS 97 HZ1 LYS 97 6.303 4.077 -0.791 165 HZ2 LYS 97 HZ2 LYS 97 5.535 5.519 -1.008 166 HZ3 LYS 97 HZ3 LYS 97 6.912 5.463 -0.157 167 H GLY 98 H GLY 98 3.493 11.293 -1.015 168 HA2 GLY 98 HA2 GLY 98 2.925 13.634 -0.292 169 HA3 GLY 98 HA3 GLY 98 3.814 13.269 1.197 170 H GLY 99 H GLY 99 4.986 15.147 0.582 171 HA2 GLY 99 HA2 GLY 99 6.982 16.053 0.202 172 HA3 GLY 99 HA3 GLY 99 7.552 14.477 -0.324 173 H ASN 100 H ASN 100 8.631 16.677 -1.251 174 HA ASN 100 HA ASN 100 7.972 17.611 -3.848 175 HB2 ASN 100 HB2 ASN 100 9.660 18.723 -2.596 176 HB3 ASN 100 HB3 ASN 100 10.431 17.231 -2.146 177 HD21 ASN 100 HD22 ASN 100 12.298 18.546 -2.632 178 HD22 ASN 100 HD21 ASN 100 12.991 18.181 -4.199 179 H HIS 101 H HIS 101 7.236 16.133 -5.289 180 HA HIS 101 HA HIS 101 9.104 14.002 -6.218 181 HB2 HIS 101 HB2 HIS 101 7.191 13.111 -4.819 182 HB3 HIS 101 HB3 HIS 101 6.074 13.720 -6.026 183 HD1 HIS 101 HD1 HIS 101 8.908 11.048 -5.638 184 HD2 HIS 101 HD2 HIS 101 5.770 12.234 -8.232 185 HE1 HIS 101 HE1 HIS 101 8.647 9.182 -7.365 186 HE2 HIS 101 HE2 HIS 101 6.772 9.899 -8.968 187 H LYS 102 H LYS 102 9.647 14.254 -8.314 188 HA LYS 102 HA LYS 102 9.253 16.545 -9.718 189 HB2 LYS 102 HB2 LYS 102 11.000 14.987 -10.139 190 HB3 LYS 102 HB3 LYS 102 9.899 13.849 -10.923 191 HG2 LYS 102 HG2 LYS 102 9.614 15.191 -12.805 192 HG3 LYS 102 HG3 LYS 102 9.969 16.701 -11.959 193 HD2 LYS 102 HD2 LYS 102 12.124 14.615 -12.301 194 HD3 LYS 102 HD3 LYS 102 11.715 15.723 -13.631 195 HE2 LYS 102 HE2 LYS 102 12.170 17.671 -12.236 196 HE3 LYS 102 HE3 LYS 102 12.473 16.653 -10.823 197 HZ1 LYS 102 HZ1 LYS 102 14.425 15.773 -11.840 198 HZ2 LYS 102 HZ2 LYS 102 14.109 16.483 -13.300 199 HZ3 LYS 102 HZ3 LYS 102 14.522 17.400 -12.014 200 H THR 103 H THR 103 7.489 13.645 -11.002 201 HA THR 103 HA THR 103 5.951 15.116 -12.825 202 HB THR 103 HB THR 103 5.022 12.581 -11.445 203 HG1 THR 103 HG1 THR 103 6.108 11.590 -13.195 204 HG21 THR 103 HG21 THR 103 4.317 14.011 -14.035 205 HG22 THR 103 HG22 THR 103 3.939 12.278 -13.787 206 HG23 THR 103 HG23 THR 103 3.223 13.507 -12.734 207 H LEU 104 H LEU 104 5.132 14.399 -9.439 208 HA LEU 104 HA LEU 104 2.477 15.456 -9.468 209 HB2 LEU 104 HB2 LEU 104 3.427 13.892 -7.779 210 HB3 LEU 104 HB3 LEU 104 4.507 15.169 -7.204 211 HG LEU 104 HG LEU 104 2.618 16.469 -6.382 212 HD11 LEU 104 HD11 LEU 104 0.850 15.804 -7.987 213 HD12 LEU 104 HD12 LEU 104 0.901 14.141 -7.372 214 HD13 LEU 104 HD13 LEU 104 0.333 15.453 -6.326 215 HD21 LEU 104 HD21 LEU 104 1.933 14.969 -4.575 216 HD22 LEU 104 HD22 LEU 104 2.467 13.559 -5.498 217 HD23 LEU 104 HD23 LEU 104 3.651 14.765 -4.927 218 H LYS 105 H LYS 105 5.657 16.997 -8.949 219 HA LYS 105 HA LYS 105 4.547 19.628 -8.311 220 HB2 LYS 105 HB2 LYS 105 7.315 18.665 -9.152 221 HB3 LYS 105 HB3 LYS 105 6.963 20.357 -8.885 222 HG2 LYS 105 HG2 LYS 105 6.704 18.131 -6.809 223 HG3 LYS 105 HG3 LYS 105 8.030 19.281 -6.933 224 HD2 LYS 105 HD2 LYS 105 5.155 19.861 -6.119 225 HD3 LYS 105 HD3 LYS 105 6.606 19.976 -5.135 226 HE2 LYS 105 HE2 LYS 105 7.446 21.819 -6.680 227 HE3 LYS 105 HE3 LYS 105 5.891 21.759 -7.522 228 HZ1 LYS 105 HZ1 LYS 105 6.305 22.483 -4.670 229 HZ2 LYS 105 HZ2 LYS 105 5.759 23.474 -5.861 230 HZ3 LYS 105 HZ3 LYS 105 4.836 22.218 -5.281 231 H GLU 106 H GLU 106 5.366 18.016 -11.398 232 HA GLU 106 HA GLU 106 5.209 20.461 -12.919 233 HB2 GLU 106 HB2 GLU 106 4.530 17.696 -13.947 234 HB3 GLU 106 HB3 GLU 106 5.067 19.120 -14.877 235 HG2 GLU 106 HG2 GLU 106 7.230 18.907 -13.444 236 HG3 GLU 106 HG3 GLU 106 6.553 17.315 -13.029 237 H TRP 107 H TRP 107 2.935 17.880 -12.133 238 HA TRP 107 HA TRP 107 0.689 18.966 -13.539 239 HB2 TRP 107 HB2 TRP 107 0.691 17.296 -10.998 240 HB3 TRP 107 HB3 TRP 107 -0.707 17.621 -12.031 241 HD1 TRP 107 HD1 TRP 107 2.071 16.895 -14.331 242 HE1 TRP 107 HE1 TRP 107 1.999 14.456 -15.102 243 HE3 TRP 107 HE3 TRP 107 -1.342 15.056 -10.970 244 HZ2 TRP 107 HZ2 TRP 107 0.856 12.004 -14.231 245 HZ3 TRP 107 HZ3 TRP 107 -1.996 12.660 -11.078 246 HH2 TRP 107 HH2 TRP 107 -0.870 11.126 -12.665 247 H LYS 108 H LYS 108 1.807 19.685 -10.225 248 HA LYS 108 HA LYS 108 -0.350 21.515 -9.589 249 HB2 LYS 108 HB2 LYS 108 2.516 21.342 -8.564 250 HB3 LYS 108 HB3 LYS 108 1.318 22.481 -7.948 251 HG2 LYS 108 HG2 LYS 108 -0.191 20.557 -7.397 252 HG3 LYS 108 HG3 LYS 108 1.099 19.448 -7.863 253 HD2 LYS 108 HD2 LYS 108 2.608 20.641 -6.200 254 HD3 LYS 108 HD3 LYS 108 1.184 21.555 -5.653 255 HE2 LYS 108 HE2 LYS 108 0.042 19.295 -5.206 256 HE3 LYS 108 HE3 LYS 108 1.555 18.510 -5.649 257 HZ1 LYS 108 HZ1 LYS 108 1.062 20.243 -3.298 258 HZ2 LYS 108 HZ2 LYS 108 1.632 18.695 -3.341 259 HZ3 LYS 108 HZ3 LYS 108 2.586 19.977 -3.826 260 H ALA 109 H ALA 109 2.692 21.916 -11.441 261 HA ALA 109 HA ALA 109 2.566 24.783 -11.501 262 HB1 ALA 109 HB1 ALA 109 3.910 22.858 -13.470 263 HB2 ALA 109 HB2 ALA 109 4.294 24.558 -13.216 264 HB3 ALA 109 HB3 ALA 109 4.621 23.372 -11.918 265 H LYS 110 H LYS 110 1.825 22.214 -13.856 266 HA LYS 110 HA LYS 110 0.947 23.896 -15.812 267 HB2 LYS 110 HB2 LYS 110 0.875 20.908 -15.444 268 HB3 LYS 110 HB3 LYS 110 0.222 21.665 -16.923 269 HG2 LYS 110 HG2 LYS 110 2.490 22.917 -17.048 270 HG3 LYS 110 HG3 LYS 110 3.087 21.741 -15.885 271 HD2 LYS 110 HD2 LYS 110 1.935 21.124 -18.642 272 HD3 LYS 110 HD3 LYS 110 3.648 21.260 -18.238 273 HE2 LYS 110 HE2 LYS 110 3.304 19.325 -16.591 274 HE3 LYS 110 HE3 LYS 110 1.708 19.089 -17.323 275 HZ1 LYS 110 HZ1 LYS 110 3.372 17.685 -18.415 276 HZ2 LYS 110 HZ2 LYS 110 2.829 18.791 -19.492 277 HZ3 LYS 110 HZ3 LYS 110 4.297 18.968 -18.796 278 H TRP 111 H TRP 111 -0.991 22.267 -13.379 279 HA TRP 111 HA TRP 111 -3.450 23.585 -14.491 280 HB2 TRP 111 HB2 TRP 111 -3.311 20.768 -13.378 281 HB3 TRP 111 HB3 TRP 111 -4.764 21.602 -13.906 282 HD1 TRP 111 HD1 TRP 111 -5.017 22.068 -16.562 283 HE1 TRP 111 HE1 TRP 111 -4.021 20.909 -18.627 284 HE3 TRP 111 HE3 TRP 111 -1.323 19.441 -14.266 285 HZ2 TRP 111 HZ2 TRP 111 -1.832 19.091 -19.204 286 HZ3 TRP 111 HZ3 TRP 111 0.283 18.053 -15.595 287 HH2 TRP 111 HH2 TRP 111 -0.004 17.826 -18.046 288 H GLY 112 H GLY 112 -2.155 22.037 -11.475 289 HA2 GLY 112 HA2 GLY 112 -2.007 23.965 -9.749 290 HA3 GLY 112 HA3 GLY 112 -3.750 24.027 -9.867 291 HA PRO 113 HA PRO 113 -2.214 20.738 -6.706 292 HB2 PRO 113 HB2 PRO 113 -2.625 22.139 -4.347 293 HB3 PRO 113 HB3 PRO 113 -1.063 21.958 -5.191 294 HG2 PRO 113 HG2 PRO 113 -3.005 24.266 -5.319 295 HG3 PRO 113 HG3 PRO 113 -1.212 24.311 -5.187 296 HD2 PRO 113 HD2 PRO 113 -2.490 24.713 -7.544 297 HD3 PRO 113 HD3 PRO 113 -0.942 23.814 -7.475 298 H GLU 114 H GLU 114 -4.949 23.074 -6.642 299 HA GLU 114 HA GLU 114 -6.762 21.535 -5.088 300 HB2 GLU 114 HB2 GLU 114 -7.510 23.247 -7.466 301 HB3 GLU 114 HB3 GLU 114 -8.445 22.894 -5.990 302 HG2 GLU 114 HG2 GLU 114 -6.667 24.192 -4.715 303 HG3 GLU 114 HG3 GLU 114 -5.983 24.632 -6.290 304 H ALA 115 H ALA 115 -6.174 21.700 -8.523 305 HA ALA 115 HA ALA 115 -8.069 19.804 -9.462 306 HB1 ALA 115 HB1 ALA 115 -6.848 19.914 -11.514 307 HB2 ALA 115 HB2 ALA 115 -6.660 21.523 -10.770 308 HB3 ALA 115 HB3 ALA 115 -5.329 20.322 -10.709 309 H VAL 116 H VAL 116 -4.598 19.516 -8.872 310 HA VAL 116 HA VAL 116 -4.228 16.882 -9.407 311 HB VAL 116 HB VAL 116 -2.778 18.858 -7.656 312 HG11 VAL 116 HG11 VAL 116 -2.106 16.703 -6.698 313 HG12 VAL 116 HG12 VAL 116 -1.701 16.100 -8.318 314 HG13 VAL 116 HG13 VAL 116 -0.798 17.465 -7.595 315 HG21 VAL 116 HG21 VAL 116 -2.082 17.545 -10.306 316 HG22 VAL 116 HG22 VAL 116 -2.899 19.109 -10.182 317 HG23 VAL 116 HG23 VAL 116 -1.247 18.932 -9.544 318 H GLU 117 H GLU 117 -4.915 18.292 -6.176 319 HA GLU 117 HA GLU 117 -4.919 15.752 -4.768 320 HB2 GLU 117 HB2 GLU 117 -6.148 18.472 -4.115 321 HB3 GLU 117 HB3 GLU 117 -6.190 17.076 -3.039 322 HG2 GLU 117 HG2 GLU 117 -3.719 17.003 -2.986 323 HG3 GLU 117 HG3 GLU 117 -3.640 18.421 -4.031 324 H SER 118 H SER 118 -7.418 17.580 -6.548 325 HA SER 118 HA SER 118 -9.659 16.046 -5.523 326 HB2 SER 118 HB2 SER 118 -9.451 17.676 -8.088 327 HB3 SER 118 HB3 SER 118 -10.933 16.990 -7.413 328 HG SER 118 HG SER 118 -9.271 19.023 -6.347 329 H TRP 119 H TRP 119 -7.440 15.593 -8.254 330 HA TRP 119 HA TRP 119 -8.853 13.341 -9.400 331 HB2 TRP 119 HB2 TRP 119 -5.895 13.940 -9.603 332 HB3 TRP 119 HB3 TRP 119 -6.897 13.000 -10.688 333 HD1 TRP 119 HD1 TRP 119 -9.191 15.392 -10.944 334 HE1 TRP 119 HE1 TRP 119 -8.669 17.366 -12.490 335 HE3 TRP 119 HE3 TRP 119 -4.110 14.835 -11.279 336 HZ2 TRP 119 HZ2 TRP 119 -6.336 18.588 -13.676 337 HZ3 TRP 119 HZ3 TRP 119 -2.766 16.398 -12.669 338 HH2 TRP 119 HH2 TRP 119 -3.858 18.286 -13.854 339 H ALA 120 H ALA 120 -7.059 13.494 -6.413 340 HA ALA 120 HA ALA 120 -5.581 11.129 -6.720 341 HB1 ALA 120 HB1 ALA 120 -5.152 13.076 -5.111 342 HB2 ALA 120 HB2 ALA 120 -6.360 12.325 -4.048 343 HB3 ALA 120 HB3 ALA 120 -4.875 11.435 -4.488 344 H THR 121 H THR 121 -5.567 9.510 -5.238 345 HA THR 121 HA THR 121 -8.064 7.991 -4.446 346 HB THR 121 HB THR 121 -5.699 7.048 -6.096 347 HG1 THR 121 HG1 THR 121 -7.305 6.726 -7.717 348 HG21 THR 121 HG21 THR 121 -6.489 5.215 -4.719 349 HG22 THR 121 HG22 THR 121 -8.183 5.709 -4.981 350 HG23 THR 121 HG23 THR 121 -7.228 4.967 -6.303 351 H LEU 122 H LEU 122 -7.718 6.693 -2.662 352 HA LEU 122 HA LEU 122 -5.112 7.091 -1.212 353 HB2 LEU 122 HB2 LEU 122 -7.403 7.993 -0.390 354 HB3 LEU 122 HB3 LEU 122 -7.737 6.328 0.067 355 HG LEU 122 HG LEU 122 -5.352 8.002 0.993 356 HD11 LEU 122 HD11 LEU 122 -7.536 8.789 1.876 357 HD12 LEU 122 HD12 LEU 122 -7.872 7.153 2.485 358 HD13 LEU 122 HD13 LEU 122 -6.522 8.104 3.152 359 HD21 LEU 122 HD21 LEU 122 -6.231 5.198 1.771 360 HD22 LEU 122 HD22 LEU 122 -4.632 5.760 1.191 361 HD23 LEU 122 HD23 LEU 122 -5.183 6.200 2.796 362 H LEU 123 H LEU 123 -3.837 5.484 -1.003 363 HA LEU 123 HA LEU 123 -4.739 2.661 -1.375 364 HB2 LEU 123 HB2 LEU 123 -2.178 4.043 -2.286 365 HB3 LEU 123 HB3 LEU 123 -2.563 2.330 -2.500 366 HG LEU 123 HG LEU 123 -3.982 4.719 -3.776 367 HD11 LEU 123 HD11 LEU 123 -2.119 2.561 -4.858 368 HD12 LEU 123 HD12 LEU 123 -2.975 3.752 -5.853 369 HD13 LEU 123 HD13 LEU 123 -1.764 4.285 -4.662 370 HD21 LEU 123 HD21 LEU 123 -5.611 2.869 -3.488 371 HD22 LEU 123 HD22 LEU 123 -5.141 3.017 -5.185 372 HD23 LEU 123 HD23 LEU 123 -4.444 1.719 -4.185 373 H GLY 124 H GLY 124 -4.075 1.242 -0.008 374 HA2 GLY 124 HA2 GLY 124 -3.091 1.873 2.582 375 HA3 GLY 124 HA3 GLY 124 -3.223 0.251 1.923 376 H HIS 125 H HIS 125 -1.243 1.058 3.712 377 HA HIS 125 HA HIS 125 1.205 0.272 2.319 378 HB2 HIS 125 HB2 HIS 125 1.365 2.603 1.986 379 HB3 HIS 125 HB3 HIS 125 0.936 2.961 3.664 380 HD1 HIS 125 HD1 HIS 125 3.148 4.277 4.173 381 HD2 HIS 125 HD2 HIS 125 3.678 0.331 2.767 382 HE1 HIS 125 HE1 HIS 125 5.634 3.660 4.636 383 HE2 HIS 125 HE2 HIS 125 5.938 1.258 3.750 384 H5' DC 1 H5' DC 1 -4.917 28.973 7.693 385 H5'' DC 1 H5'' DC 1 -3.555 29.778 6.914 386 H4' DC 1 H4' DC 1 -3.171 29.742 9.269 387 H3' DC 1 H3' DC 1 -1.380 28.618 7.435 388 H2' DC 1 H2' DC 1 -1.477 26.455 8.034 389 H2'' DC 1 H2'' DC 1 -0.448 26.886 9.388 390 H1' DC 1 H1' DC 1 -2.152 27.070 10.910 391 H41 DC 1 H41 DC 1 -5.026 21.383 9.103 392 H42 DC 1 H42 DC 1 -4.853 21.402 10.862 393 H5 DC 1 H5 DC 1 -4.272 23.283 7.708 394 H6 DC 1 H6 DC 1 -3.308 25.501 7.817 395 HO5' DC 1 H5T DC 1 -4.235 27.866 5.754 396 H5' DG 2 H5' DG 2 0.101 28.991 11.945 397 H5'' DG 2 H5'' DG 2 1.676 29.782 11.930 398 H4' DG 2 H4' DG 2 1.755 28.263 13.705 399 H3' DG 2 H3' DG 2 3.577 27.926 11.589 400 H2' DG 2 H2' DG 2 2.553 26.008 10.752 401 H2'' DG 2 H2'' DG 2 3.652 25.217 11.894 402 H1' DG 2 H1' DG 2 1.993 25.118 13.611 403 H8 DG 2 H8 DG 2 0.665 25.161 10.019 404 H1 DG 2 H1 DG 2 -1.191 20.094 13.546 405 H21 DG 2 H21 DG 2 0.709 21.614 15.978 406 H22 DG 2 H22 DG 2 -0.284 20.228 15.511 407 H5' DC 3 H5' DC 3 4.089 25.486 15.596 408 H5'' DC 3 H5'' DC 3 5.786 25.479 16.080 409 H4' DC 3 H4' DC 3 4.745 23.439 16.787 410 H3' DC 3 H3' DC 3 6.962 23.394 14.901 411 H2' DC 3 H2' DC 3 6.154 21.847 13.482 412 H2'' DC 3 H2'' DC 3 6.150 20.659 14.794 413 H1' DC 3 H1' DC 3 3.942 20.919 15.279 414 H41 DC 3 H41 DC 3 1.706 21.389 9.066 415 H42 DC 3 H42 DC 3 1.097 19.906 9.817 416 H5 DC 3 H5 DC 3 3.322 22.830 10.228 417 H6 DC 3 H6 DC 3 4.449 23.168 12.417 418 H5' DA 4 H5' DA 4 6.241 19.667 17.320 419 H5'' DA 4 H5'' DA 4 7.692 19.007 18.079 420 H4' DA 4 H4' DA 4 6.447 17.182 17.266 421 H3' DA 4 H3' DA 4 9.044 17.671 16.123 422 H2' DA 4 H2' DA 4 8.245 17.971 14.005 423 H2'' DA 4 H2'' DA 4 8.282 16.204 13.926 424 H1' DA 4 H1' DA 4 5.983 15.999 14.606 425 H8 DA 4 H8 DA 4 6.871 19.315 12.927 426 H61 DA 4 H61 DA 4 2.636 17.608 8.661 427 H62 DA 4 H62 DA 4 3.677 18.926 9.174 428 H2 DA 4 H2 DA 4 3.005 14.371 11.533 429 H5' DT 5 H5' DT 5 7.234 13.494 15.424 430 H5'' DT 5 H5'' DT 5 8.409 12.234 15.809 431 H4' DT 5 H4' DT 5 7.187 11.507 13.924 432 H3' DT 5 H3' DT 5 10.017 11.930 13.680 433 H2' DT 5 H2' DT 5 9.851 13.495 12.021 434 H2'' DT 5 H2'' DT 5 9.641 12.108 10.946 435 H1' DT 5 H1' DT 5 7.271 12.168 11.082 436 H3 DT 5 H3 DT 5 5.651 15.326 8.287 437 H71 DT 5 H71 DT 5 8.290 18.602 10.728 438 H72 DT 5 H72 DT 5 9.628 17.572 11.293 439 H73 DT 5 H73 DT 5 9.473 17.983 9.571 440 H6 DT 5 H6 DT 5 9.040 15.420 11.736 441 H5' DA 6 H5' DA 6 7.395 9.133 11.042 442 H5'' DA 6 H5'' DA 6 8.249 7.609 10.809 443 H4' DA 6 H4' DA 6 6.761 7.917 9.001 444 H3' DA 6 H3' DA 6 9.467 7.444 8.523 445 H2' DA 6 H2' DA 6 10.039 9.592 7.978 446 H2'' DA 6 H2'' DA 6 9.582 9.074 6.357 447 H1' DA 6 H1' DA 6 7.440 10.008 6.476 448 H8 DA 6 H8 DA 6 10.038 11.568 8.839 449 H61 DA 6 H61 DA 6 8.369 16.891 5.999 450 H62 DA 6 H62 DA 6 9.547 16.204 7.115 451 H2 DA 6 H2 DA 6 5.839 13.723 4.476 452 H5' DT 7 H5' DT 7 6.634 7.988 5.176 453 H5'' DT 7 H5'' DT 7 6.704 6.817 3.856 454 H4' DT 7 H4' DT 7 6.170 9.027 3.018 455 H3' DT 7 H3' DT 7 8.444 7.558 2.054 456 H2' DT 7 H2' DT 7 9.941 9.227 2.701 457 H2'' DT 7 H2'' DT 7 9.447 9.975 1.165 458 H1' DT 7 H1' DT 7 7.631 11.176 2.228 459 H3 DT 7 H3 DT 7 9.873 14.939 3.316 460 H71 DT 7 H71 DT 7 13.159 12.111 5.424 461 H72 DT 7 H72 DT 7 12.078 12.409 6.791 462 H73 DT 7 H73 DT 7 12.136 10.797 6.048 463 H6 DT 7 H6 DT 7 10.368 10.319 4.585 464 H5' DA 8 H5' DA 8 7.306 10.751 -1.355 465 H5'' DA 8 H5'' DA 8 7.427 9.820 -2.849 466 H4' DA 8 H4' DA 8 8.635 11.770 -3.272 467 H3' DA 8 H3' DA 8 10.349 9.393 -2.880 468 H2' DA 8 H2' DA 8 11.822 10.449 -1.551 469 H2'' DA 8 H2'' DA 8 12.294 11.405 -2.980 470 H1' DA 8 H1' DA 8 10.878 13.175 -2.472 471 H8 DA 8 H8 DA 8 11.471 11.029 0.772 472 H61 DA 8 H61 DA 8 13.441 16.609 2.934 473 H62 DA 8 H62 DA 8 13.131 14.969 3.496 474 H2 DA 8 H2 DA 8 12.287 17.123 -1.091 475 H5' DT 9 H5' DT 9 10.848 12.798 -5.911 476 H5'' DT 9 H5'' DT 9 11.437 12.123 -7.438 477 H4' DT 9 H4' DT 9 12.058 14.429 -7.351 478 H3' DT 9 H3' DT 9 13.996 12.391 -7.600 479 H2' DT 9 H2' DT 9 15.074 12.707 -5.650 480 H2'' DT 9 H2'' DT 9 15.870 14.064 -6.443 481 H1' DT 9 H1' DT 9 14.417 15.670 -5.605 482 H3 DT 9 H3 DT 9 15.385 16.360 -1.242 483 H71 DT 9 H71 DT 9 14.539 11.016 -1.962 484 H72 DT 9 H72 DT 9 15.905 11.551 -0.959 485 H73 DT 9 H73 DT 9 14.252 11.766 -0.372 486 H6 DT 9 H6 DT 9 14.185 12.422 -3.766 487 H5' DG 10 H5' DG 10 15.037 16.798 -8.144 488 H5'' DG 10 H5'' DG 10 15.956 17.082 -9.628 489 H4' DG 10 H4' DG 10 16.688 18.679 -8.050 490 H3' DG 10 H3' DG 10 18.525 16.837 -9.150 491 H2' DG 10 H2' DG 10 18.846 15.683 -7.153 492 H2'' DG 10 H2'' DG 10 20.089 16.923 -6.897 493 H1' DG 10 H1' DG 10 18.587 18.334 -5.676 494 H8 DG 10 H8 DG 10 17.846 14.582 -5.492 495 H1 DG 10 H1 DG 10 19.151 17.393 0.157 496 H21 DG 10 H21 DG 10 19.570 20.187 -1.799 497 H22 DG 10 H22 DG 10 19.693 19.454 -0.194 498 H5' DC 11 H5' DC 11 19.986 20.873 -7.052 499 H5'' DC 11 H5'' DC 11 21.120 21.602 -8.190 500 H4' DC 11 H4' DC 11 21.646 22.375 -6.002 501 H3' DC 11 H3' DC 11 23.568 21.148 -7.604 502 H2' DC 11 H2' DC 11 23.735 19.157 -6.465 503 H2'' DC 11 H2'' DC 11 24.855 20.041 -5.427 504 H1' DC 11 H1' DC 11 23.276 20.538 -3.818 505 H41 DC 11 H41 DC 11 21.139 14.309 -3.163 506 H42 DC 11 H42 DC 11 21.473 14.987 -1.565 507 H5 DC 11 H5 DC 11 21.520 15.591 -5.186 508 H6 DC 11 H6 DC 11 22.160 17.841 -6.024 509 H5' DG 12 H5' DG 12 25.503 22.643 -3.690 510 H5'' DG 12 H5'' DG 12 27.126 23.305 -3.907 511 H4' DG 12 H4' DG 12 27.197 21.755 -2.098 512 H3' DG 12 H3' DG 12 28.490 20.695 -4.609 513 HO3' DG 12 H3T DG 12 29.694 22.213 -3.343 514 H2' DG 12 H2' DG 12 28.462 18.578 -3.877 515 H2'' DG 12 H2'' DG 12 29.036 19.033 -2.254 516 H1' DG 12 H1' DG 12 26.933 19.201 -1.381 517 H8 DG 12 H8 DG 12 26.207 18.017 -4.962 518 H1 DG 12 H1 DG 12 24.555 13.958 -0.227 519 H21 DG 12 H21 DG 12 25.982 16.391 1.753 520 H22 DG 12 H22 DG 12 25.307 14.763 1.681 521 H5' DC 13 H5' DC 13 24.570 7.560 5.215 522 H5'' DC 13 H5'' DC 13 23.909 7.786 6.831 523 H4' DC 13 H4' DC 13 25.408 9.590 6.323 524 H3' DC 13 H3' DC 13 22.779 9.971 7.143 525 H2' DC 13 H2' DC 13 21.952 10.762 5.125 526 H2'' DC 13 H2'' DC 13 22.534 12.324 5.744 527 H1' DC 13 H1' DC 13 24.611 12.146 4.660 528 H41 DC 13 H41 DC 13 21.938 11.384 -1.341 529 H42 DC 13 H42 DC 13 23.211 12.606 -1.436 530 H5 DC 13 H5 DC 13 21.361 10.270 0.767 531 H6 DC 13 H6 DC 13 22.006 10.073 3.107 532 HO5' DC 13 H5T DC 13 22.283 7.107 5.278 533 H5' DG 14 H5' DG 14 25.615 14.076 7.170 534 H5'' DG 14 H5'' DG 14 25.346 14.587 8.834 535 H4' DG 14 H4' DG 14 25.744 16.552 7.688 536 H3' DG 14 H3' DG 14 23.274 16.282 8.924 537 H2' DG 14 H2' DG 14 22.025 15.869 6.993 538 H2'' DG 14 H2'' DG 14 21.908 17.608 6.952 539 H1' DG 14 H1' DG 14 23.616 17.869 5.406 540 H8 DG 14 H8 DG 14 22.032 14.396 5.448 541 H1 DG 14 H1 DG 14 22.418 17.154 -0.361 542 H21 DG 14 H21 DG 14 23.959 19.677 1.384 543 H22 DG 14 H22 DG 14 23.341 19.098 -0.166 544 H5' DC 15 H5' DC 15 23.935 20.231 6.722 545 H5'' DC 15 H5'' DC 15 23.278 21.691 7.474 546 H4' DC 15 H4' DC 15 22.828 21.667 5.093 547 H3' DC 15 H3' DC 15 20.486 21.467 6.932 548 H2' DC 15 H2' DC 15 19.172 20.473 5.415 549 H2'' DC 15 H2'' DC 15 19.523 21.712 4.192 550 H1' DC 15 H1' DC 15 21.247 20.580 3.247 551 H41 DC 15 H41 DC 15 18.376 14.622 3.221 552 H42 DC 15 H42 DC 15 18.457 15.268 1.574 553 H5 DC 15 H5 DC 15 19.079 15.993 5.151 554 H6 DC 15 H6 DC 15 20.128 18.155 5.757 555 H5' DA 16 H5' DA 16 20.625 23.787 3.168 556 H5'' DA 16 H5'' DA 16 20.070 25.454 3.289 557 H4' DA 16 H4' DA 16 19.485 24.684 1.150 558 H3' DA 16 H3' DA 16 17.446 25.506 2.962 559 H2' DA 16 H2' DA 16 16.576 23.378 3.198 560 H2'' DA 16 H2'' DA 16 15.609 23.847 1.799 561 H1' DA 16 H1' DA 16 17.157 22.863 0.242 562 H8 DA 16 H8 DA 16 17.245 21.354 3.742 563 H61 DA 16 H61 DA 16 15.729 16.017 0.819 564 H62 DA 16 H62 DA 16 16.272 16.663 2.359 565 H2 DA 16 H2 DA 16 15.508 19.219 -2.073 566 H5' DT 17 H5' DT 17 15.912 24.837 -1.326 567 H5'' DT 17 H5'' DT 17 14.826 26.125 -1.865 568 H4' DT 17 H4' DT 17 13.929 24.031 -2.575 569 H3' DT 17 H3' DT 17 12.413 25.682 -0.741 570 H2' DT 17 H2' DT 17 12.139 24.022 0.806 571 H2'' DT 17 H2'' DT 17 10.901 23.375 -0.285 572 H1' DT 17 H1' DT 17 12.455 21.979 -1.441 573 H3 DT 17 H3 DT 17 12.915 18.207 1.004 574 H71 DT 17 H71 DT 17 14.635 20.919 4.593 575 H72 DT 17 H72 DT 17 13.798 22.465 4.277 576 H73 DT 17 H73 DT 17 12.897 21.069 4.903 577 H6 DT 17 H6 DT 17 13.403 22.868 2.072 578 H5' DA 18 H5' DA 18 10.350 22.438 -3.011 579 H5'' DA 18 H5'' DA 18 8.975 23.044 -3.930 580 H4' DA 18 H4' DA 18 8.332 20.923 -3.259 581 H3' DA 18 H3' DA 18 6.917 23.072 -1.867 582 H2' DA 18 H2' DA 18 7.425 22.281 0.190 583 H2'' DA 18 H2'' DA 18 6.138 21.099 -0.127 584 H1' DA 18 H1' DA 18 7.656 19.475 -0.898 585 H8 DA 18 H8 DA 18 9.020 21.915 1.739 586 H61 DA 18 H61 DA 18 10.945 16.543 4.436 587 H62 DA 18 H62 DA 18 10.834 18.274 4.764 588 H2 DA 18 H2 DA 18 9.523 15.624 0.537 589 H5' DT 19 H5' DT 19 5.665 18.757 -2.362 590 H5'' DT 19 H5'' DT 19 4.097 18.739 -3.179 591 H4' DT 19 H4' DT 19 3.872 16.931 -1.704 592 H3' DT 19 H3' DT 19 2.313 19.233 -1.009 593 H2' DT 19 H2' DT 19 3.645 19.814 0.775 594 H2'' DT 19 H2'' DT 19 2.509 18.721 1.620 595 H1' DT 19 H1' DT 19 3.914 16.788 1.196 596 H3 DT 19 H3 DT 19 6.944 16.417 4.454 597 H71 DT 19 H71 DT 19 7.742 21.151 4.227 598 H72 DT 19 H72 DT 19 6.433 21.696 3.158 599 H73 DT 19 H73 DT 19 6.099 21.231 4.843 600 H6 DT 19 H6 DT 19 5.367 20.109 1.813 601 H5' DA 20 H5' DA 20 -1.365 15.383 -0.005 602 H5'' DA 20 H5'' DA 20 -0.046 16.142 0.869 603 H4' DA 20 H4' DA 20 0.054 13.202 0.124 604 H3' DA 20 H3' DA 20 -1.896 14.348 1.726 605 H2' DA 20 H2' DA 20 -0.463 15.422 3.176 606 H2'' DA 20 H2'' DA 20 -0.595 13.902 4.080 607 H1' DA 20 H1' DA 20 1.421 13.039 3.242 608 H8 DA 20 H8 DA 20 1.670 16.804 2.344 609 H61 DA 20 H61 DA 20 5.263 17.318 7.383 610 H62 DA 20 H62 DA 20 4.507 18.209 6.067 611 H2 DA 20 H2 DA 20 3.903 13.194 7.185 612 H5' DT 21 H5' DT 21 -0.204 11.019 4.211 613 H5'' DT 21 H5'' DT 21 -1.495 9.813 4.225 614 H4' DT 21 H4' DT 21 -0.560 9.575 6.323 615 H3' DT 21 H3' DT 21 -3.164 10.504 6.266 616 H2' DT 21 H2' DT 21 -2.754 12.716 6.788 617 H2'' DT 21 H2'' DT 21 -2.827 12.102 8.457 618 H1' DT 21 H1' DT 21 -0.552 11.863 8.671 619 H3 DT 21 H3 DT 21 1.963 15.610 8.974 620 H71 DT 21 H71 DT 21 -1.749 16.374 5.034 621 H72 DT 21 H72 DT 21 -1.316 17.692 6.139 622 H73 DT 21 H73 DT 21 -0.158 17.174 4.911 623 H6 DT 21 H6 DT 21 -1.613 14.283 5.990 624 H5' DG 22 H5' DG 22 -1.208 9.627 10.347 625 H5'' DG 22 H5'' DG 22 -2.317 8.812 11.473 626 H4' DG 22 H4' DG 22 -1.054 10.387 12.724 627 H3' DG 22 H3' DG 22 -3.906 10.720 12.550 628 H2' DG 22 H2' DG 22 -3.730 12.777 11.484 629 H2'' DG 22 H2'' DG 22 -3.560 13.378 13.156 630 H1' DG 22 H1' DG 22 -1.163 13.195 13.068 631 H8 DG 22 H8 DG 22 -2.902 14.018 9.748 632 H1 DG 22 H1 DG 22 1.186 18.476 11.987 633 H21 DG 22 H21 DG 22 1.532 16.229 14.570 634 H22 DG 22 H22 DG 22 1.933 17.822 13.925 635 H5' DC 23 H5' DC 23 -1.131 12.379 16.016 636 H5'' DC 23 H5'' DC 23 -1.921 11.860 17.503 637 H4' DC 23 H4' DC 23 -0.570 13.721 18.034 638 H3' DC 23 H3' DC 23 -3.311 13.755 18.555 639 H2' DC 23 H2' DC 23 -3.938 15.301 16.972 640 H2'' DC 23 H2'' DC 23 -3.461 16.492 18.162 641 H1' DC 23 H1' DC 23 -1.351 16.834 17.263 642 H41 DC 23 H41 DC 23 -3.748 17.780 11.162 643 H42 DC 23 H42 DC 23 -2.709 19.141 11.606 644 H5 DC 23 H5 DC 23 -4.130 15.919 12.695 645 H6 DC 23 H6 DC 23 -3.494 15.024 14.926 646 H5' DG 24 H5' DG 24 -1.406 17.559 20.327 647 H5'' DG 24 H5'' DG 24 -2.112 18.023 21.881 648 H4' DG 24 H4' DG 24 -2.103 19.952 20.496 649 H3' DG 24 H3' DG 24 -4.872 18.757 20.711 650 HO3' DG 24 H3T DG 24 -4.103 19.935 22.552 651 H2' DG 24 H2' DG 24 -5.640 19.998 19.006 652 H2'' DG 24 H2'' DG 24 -4.808 21.467 19.572 653 H1' DG 24 H1' DG 24 -2.948 21.091 18.305 654 H8 DG 24 H8 DG 24 -5.183 18.157 17.232 655 H1 DG 24 H1 DG 24 -3.946 22.647 12.753 656 H21 DG 24 H21 DG 24 -2.186 24.093 15.349 657 H22 DG 24 H22 DG 24 -2.755 24.255 13.689 Start of MODEL 19 1 H ALA 79 H1 ALA 79 -1.797 6.246 9.068 2 HA ALA 79 HA ALA 79 1.105 5.758 9.442 3 HB1 ALA 79 HB1 ALA 79 -1.088 4.302 7.894 4 HB2 ALA 79 HB2 ALA 79 0.651 3.898 7.813 5 HB3 ALA 79 HB3 ALA 79 -0.243 3.697 9.334 6 H ARG 80 H ARG 80 2.397 5.950 7.587 7 HA ARG 80 HA ARG 80 1.925 8.223 5.869 8 HB2 ARG 80 HB2 ARG 80 4.066 6.073 5.889 9 HB3 ARG 80 HB3 ARG 80 4.112 7.470 4.814 10 HG2 ARG 80 HG2 ARG 80 3.793 7.839 7.802 11 HG3 ARG 80 HG3 ARG 80 5.393 7.608 7.091 12 HD2 ARG 80 HD2 ARG 80 5.302 9.651 5.921 13 HD3 ARG 80 HD3 ARG 80 3.549 9.727 5.994 14 HE ARG 80 HE ARG 80 5.467 10.413 8.165 15 HH11 ARG 80 HH12 ARG 80 2.080 10.409 7.149 16 HH12 ARG 80 HH11 ARG 80 1.659 11.497 8.431 17 HH21 ARG 80 HH22 ARG 80 4.716 11.986 9.610 18 HH22 ARG 80 HH21 ARG 80 2.990 12.234 9.769 19 H LYS 81 H LYS 81 -0.263 7.157 5.282 20 HA LYS 81 HA LYS 81 -0.698 5.222 3.322 21 HB2 LYS 81 HB2 LYS 81 -2.129 7.804 4.090 22 HB3 LYS 81 HB3 LYS 81 -2.773 6.702 2.889 23 HG2 LYS 81 HG2 LYS 81 -3.347 5.084 4.404 24 HG3 LYS 81 HG3 LYS 81 -2.067 5.512 5.566 25 HD2 LYS 81 HD2 LYS 81 -3.254 7.478 6.287 26 HD3 LYS 81 HD3 LYS 81 -4.506 7.260 5.045 27 HE2 LYS 81 HE2 LYS 81 -5.315 5.237 6.060 28 HE3 LYS 81 HE3 LYS 81 -3.920 5.128 7.144 29 HZ1 LYS 81 HZ1 LYS 81 -4.686 7.083 8.320 30 HZ2 LYS 81 HZ2 LYS 81 -5.928 7.324 7.279 31 HZ3 LYS 81 HZ3 LYS 81 -5.928 6.014 8.264 32 H VAL 82 H VAL 82 -0.488 5.109 1.350 33 HA VAL 82 HA VAL 82 0.753 7.093 -0.400 34 HB VAL 82 HB VAL 82 -0.538 4.398 -0.985 35 HG11 VAL 82 HG11 VAL 82 -0.609 5.560 -3.042 36 HG12 VAL 82 HG12 VAL 82 1.016 6.265 -2.818 37 HG13 VAL 82 HG13 VAL 82 0.813 4.527 -3.129 38 HG21 VAL 82 HG21 VAL 82 1.460 4.288 0.463 39 HG22 VAL 82 HG22 VAL 82 1.700 3.525 -1.116 40 HG23 VAL 82 HG23 VAL 82 2.398 5.127 -0.811 41 H LYS 83 H LYS 83 -0.213 8.533 -1.713 42 HA LYS 83 HA LYS 83 -3.081 8.182 -2.404 43 HB2 LYS 83 HB2 LYS 83 -1.417 10.638 -1.933 44 HB3 LYS 83 HB3 LYS 83 -2.556 10.666 -3.303 45 HG2 LYS 83 HG2 LYS 83 -4.424 10.094 -1.899 46 HG3 LYS 83 HG3 LYS 83 -3.379 9.966 -0.465 47 HD2 LYS 83 HD2 LYS 83 -2.871 12.317 -0.517 48 HD3 LYS 83 HD3 LYS 83 -3.506 12.490 -2.159 49 HE2 LYS 83 HE2 LYS 83 -5.160 13.461 -0.798 50 HE3 LYS 83 HE3 LYS 83 -5.798 11.906 -1.343 51 HZ1 LYS 83 HZ1 LYS 83 -6.224 12.175 1.025 52 HZ2 LYS 83 HZ2 LYS 83 -5.065 11.011 0.901 53 HZ3 LYS 83 HZ3 LYS 83 -4.662 12.510 1.359 54 H GLN 84 H GLN 84 -3.479 7.642 -4.420 55 HA GLN 84 HA GLN 84 -1.302 7.639 -6.416 56 HB2 GLN 84 HB2 GLN 84 -2.272 5.650 -6.900 57 HB3 GLN 84 HB3 GLN 84 -3.771 6.031 -6.042 58 HG2 GLN 84 HG2 GLN 84 -4.553 7.294 -7.964 59 HG3 GLN 84 HG3 GLN 84 -3.039 6.938 -8.849 60 HE21 GLN 84 HE21 GLN 84 -2.564 4.479 -9.152 61 HE22 GLN 84 HE22 GLN 84 -3.974 3.468 -9.412 62 H TYR 85 H TYR 85 -1.544 8.973 -8.153 63 HA TYR 85 HA TYR 85 -3.859 10.867 -8.223 64 HB2 TYR 85 HB2 TYR 85 -0.961 11.621 -8.766 65 HB3 TYR 85 HB3 TYR 85 -2.361 12.682 -8.839 66 HD1 TYR 85 HD1 TYR 85 -3.493 13.452 -6.832 67 HD2 TYR 85 HD2 TYR 85 0.113 11.112 -6.624 68 HE1 TYR 85 HE1 TYR 85 -3.117 14.264 -4.499 69 HE2 TYR 85 HE2 TYR 85 0.502 11.897 -4.305 70 HH TYR 85 HH TYR 85 -0.227 13.334 -2.617 71 H LYS 86 H LYS 86 -4.634 11.230 -10.321 72 HA LYS 86 HA LYS 86 -3.165 10.031 -12.641 73 HB2 LYS 86 HB2 LYS 86 -4.836 8.415 -11.947 74 HB3 LYS 86 HB3 LYS 86 -6.090 9.658 -11.855 75 HG2 LYS 86 HG2 LYS 86 -6.122 9.955 -14.245 76 HG3 LYS 86 HG3 LYS 86 -4.654 8.991 -14.460 77 HD2 LYS 86 HD2 LYS 86 -5.878 6.981 -13.569 78 HD3 LYS 86 HD3 LYS 86 -7.352 7.971 -13.451 79 HE2 LYS 86 HE2 LYS 86 -7.204 8.417 -15.920 80 HE3 LYS 86 HE3 LYS 86 -5.761 7.389 -16.000 81 HZ1 LYS 86 HZ1 LYS 86 -7.766 6.157 -16.624 82 HZ2 LYS 86 HZ2 LYS 86 -7.152 5.510 -15.253 83 HZ3 LYS 86 HZ3 LYS 86 -8.480 6.465 -15.193 84 H ASN 87 H ASN 87 -3.206 11.246 -14.456 85 HA ASN 87 HA ASN 87 -4.392 13.967 -14.174 86 HB2 ASN 87 HB2 ASN 87 -2.021 13.705 -14.313 87 HB3 ASN 87 HB3 ASN 87 -2.140 12.932 -15.888 88 HD21 ASN 87 HD21 ASN 87 -0.694 15.364 -15.188 89 HD22 ASN 87 HD22 ASN 87 -1.476 16.674 -16.076 90 HA PRO 88 HA PRO 88 -7.503 12.704 -17.275 91 HB2 PRO 88 HB2 PRO 88 -8.077 15.655 -16.950 92 HB3 PRO 88 HB3 PRO 88 -9.232 14.290 -17.064 93 HG2 PRO 88 HG2 PRO 88 -8.650 15.389 -14.654 94 HG3 PRO 88 HG3 PRO 88 -8.739 13.605 -14.820 95 HD2 PRO 88 HD2 PRO 88 -6.282 15.369 -14.786 96 HD3 PRO 88 HD3 PRO 88 -6.587 13.816 -13.949 97 H HIS 89 H HIS 89 -5.137 15.319 -17.564 98 HA HIS 89 HA HIS 89 -5.782 15.879 -20.388 99 HB2 HIS 89 HB2 HIS 89 -3.592 17.021 -18.604 100 HB3 HIS 89 HB3 HIS 89 -4.134 17.658 -20.154 101 HD1 HIS 89 HD1 HIS 89 -6.728 18.701 -20.155 102 HD2 HIS 89 HD2 HIS 89 -4.910 17.790 -16.445 103 HE1 HIS 89 HE1 HIS 89 -8.104 19.921 -18.356 104 HE2 HIS 89 HE2 HIS 89 -7.002 19.370 -16.102 105 H THR 90 H THR 90 -3.478 13.872 -18.694 106 HA THR 90 HA THR 90 -1.917 13.452 -21.227 107 HB THR 90 HB THR 90 0.051 13.145 -19.858 108 HG1 THR 90 HG1 THR 90 -0.097 13.443 -17.623 109 HG21 THR 90 HG21 THR 90 -1.398 15.607 -18.804 110 HG22 THR 90 HG22 THR 90 0.361 15.341 -18.888 111 HG23 THR 90 HG23 THR 90 -0.577 15.528 -20.387 112 H GLY 91 H GLY 91 -3.677 11.790 -18.695 113 HA2 GLY 91 HA2 GLY 91 -4.170 9.555 -18.440 114 HA3 GLY 91 HA3 GLY 91 -3.278 9.173 -19.921 115 H GLU 92 H GLU 92 -1.453 10.980 -17.556 116 HA GLU 92 HA GLU 92 0.301 8.759 -16.890 117 HB2 GLU 92 HB2 GLU 92 0.159 11.681 -16.071 118 HB3 GLU 92 HB3 GLU 92 1.402 10.541 -15.521 119 HG2 GLU 92 HG2 GLU 92 2.281 10.279 -17.718 120 HG3 GLU 92 HG3 GLU 92 1.014 11.286 -18.430 121 H VAL 93 H VAL 93 0.431 7.938 -14.894 122 HA VAL 93 HA VAL 93 -1.298 8.847 -12.658 123 HB VAL 93 HB VAL 93 -0.559 6.011 -13.311 124 HG11 VAL 93 HG11 VAL 93 -2.400 5.404 -11.687 125 HG12 VAL 93 HG12 VAL 93 -1.082 6.239 -10.891 126 HG13 VAL 93 HG13 VAL 93 -2.578 7.113 -11.280 127 HG21 VAL 93 HG21 VAL 93 -2.125 6.783 -15.035 128 HG22 VAL 93 HG22 VAL 93 -2.986 5.694 -13.945 129 HG23 VAL 93 HG23 VAL 93 -3.192 7.458 -13.793 130 H ILE 94 H ILE 94 -0.431 8.424 -10.629 131 HA ILE 94 HA ILE 94 2.383 7.655 -10.245 132 HB ILE 94 HB ILE 94 1.852 9.919 -8.543 133 HG12 ILE 94 HG12 ILE 94 1.856 10.794 -11.455 134 HG13 ILE 94 HG13 ILE 94 0.444 10.825 -10.385 135 HG21 ILE 94 HG21 ILE 94 4.041 10.592 -9.141 136 HG22 ILE 94 HG22 ILE 94 4.058 8.844 -9.132 137 HG23 ILE 94 HG23 ILE 94 3.976 9.713 -10.696 138 HD11 ILE 94 HD11 ILE 94 3.003 12.404 -10.025 139 HD12 ILE 94 HD12 ILE 94 1.373 13.020 -10.358 140 HD13 ILE 94 HD13 ILE 94 1.732 12.262 -8.787 141 H GLU 95 H GLU 95 2.863 7.567 -7.944 142 HA GLU 95 HA GLU 95 0.692 7.321 -5.968 143 HB2 GLU 95 HB2 GLU 95 2.514 5.107 -6.914 144 HB3 GLU 95 HB3 GLU 95 1.918 5.131 -5.235 145 HG2 GLU 95 HG2 GLU 95 -0.371 5.044 -5.949 146 HG3 GLU 95 HG3 GLU 95 0.090 5.195 -7.652 147 H THR 96 H THR 96 1.396 8.519 -4.278 148 HA THR 96 HA THR 96 4.219 8.303 -3.371 149 HB THR 96 HB THR 96 4.863 10.413 -3.698 150 HG1 THR 96 HG1 THR 96 3.545 12.209 -3.433 151 HG21 THR 96 HG21 THR 96 3.978 11.633 -5.634 152 HG22 THR 96 HG22 THR 96 4.087 9.922 -6.039 153 HG23 THR 96 HG23 THR 96 2.506 10.639 -5.623 154 H LYS 97 H LYS 97 4.510 8.856 -1.131 155 HA LYS 97 HA LYS 97 1.995 8.848 0.491 156 HB2 LYS 97 HB2 LYS 97 4.869 8.685 1.361 157 HB3 LYS 97 HB3 LYS 97 3.470 8.321 2.360 158 HG2 LYS 97 HG2 LYS 97 2.970 6.321 1.100 159 HG3 LYS 97 HG3 LYS 97 4.178 6.710 -0.127 160 HD2 LYS 97 HD2 LYS 97 5.929 6.613 1.769 161 HD3 LYS 97 HD3 LYS 97 4.665 5.867 2.739 162 HE2 LYS 97 HE2 LYS 97 5.987 4.111 1.820 163 HE3 LYS 97 HE3 LYS 97 4.453 4.085 0.946 164 HZ1 LYS 97 HZ1 LYS 97 6.956 5.395 -0.073 165 HZ2 LYS 97 HZ2 LYS 97 6.445 3.905 -0.530 166 HZ3 LYS 97 HZ3 LYS 97 5.571 5.241 -0.904 167 H GLY 98 H GLY 98 3.455 11.197 -1.021 168 HA2 GLY 98 HA2 GLY 98 2.825 13.531 -0.312 169 HA3 GLY 98 HA3 GLY 98 3.697 13.177 1.190 170 H GLY 99 H GLY 99 4.831 15.099 0.564 171 HA2 GLY 99 HA2 GLY 99 6.837 16.027 0.224 172 HA3 GLY 99 HA3 GLY 99 7.436 14.456 -0.280 173 H ASN 100 H ASN 100 8.509 16.654 -1.223 174 HA ASN 100 HA ASN 100 7.870 17.569 -3.827 175 HB2 ASN 100 HB2 ASN 100 9.549 18.662 -2.530 176 HB3 ASN 100 HB3 ASN 100 10.331 17.156 -2.130 177 HD21 ASN 100 HD22 ASN 100 12.162 18.597 -2.608 178 HD22 ASN 100 HD21 ASN 100 12.859 18.253 -4.177 179 H HIS 101 H HIS 101 7.162 16.100 -5.301 180 HA HIS 101 HA HIS 101 9.040 13.959 -6.166 181 HB2 HIS 101 HB2 HIS 101 7.107 13.065 -4.798 182 HB3 HIS 101 HB3 HIS 101 6.010 13.652 -6.040 183 HD1 HIS 101 HD1 HIS 101 8.905 11.036 -5.612 184 HD2 HIS 101 HD2 HIS 101 5.695 12.091 -8.175 185 HE1 HIS 101 HE1 HIS 101 8.681 9.145 -7.308 186 HE2 HIS 101 HE2 HIS 101 6.754 9.777 -8.886 187 H LYS 102 H LYS 102 9.464 13.929 -8.333 188 HA LYS 102 HA LYS 102 9.284 16.253 -9.766 189 HB2 LYS 102 HB2 LYS 102 10.900 14.611 -10.096 190 HB3 LYS 102 HB3 LYS 102 9.747 13.528 -10.904 191 HG2 LYS 102 HG2 LYS 102 9.632 14.874 -12.823 192 HG3 LYS 102 HG3 LYS 102 10.052 16.355 -11.962 193 HD2 LYS 102 HD2 LYS 102 11.835 15.492 -13.534 194 HD3 LYS 102 HD3 LYS 102 12.354 15.815 -11.867 195 HE2 LYS 102 HE2 LYS 102 12.073 13.447 -11.294 196 HE3 LYS 102 HE3 LYS 102 11.618 13.079 -12.971 197 HZ1 LYS 102 HZ1 LYS 102 14.244 14.163 -12.053 198 HZ2 LYS 102 HZ2 LYS 102 13.993 12.637 -12.602 199 HZ3 LYS 102 HZ3 LYS 102 13.865 13.898 -13.641 200 H THR 103 H THR 103 7.386 13.443 -11.039 201 HA THR 103 HA THR 103 5.940 14.980 -12.898 202 HB THR 103 HB THR 103 4.929 12.456 -11.557 203 HG1 THR 103 HG1 THR 103 6.026 11.445 -13.288 204 HG21 THR 103 HG21 THR 103 4.290 13.921 -14.133 205 HG22 THR 103 HG22 THR 103 3.913 12.185 -13.929 206 HG23 THR 103 HG23 THR 103 3.176 13.386 -12.862 207 H LEU 104 H LEU 104 5.049 14.221 -9.542 208 HA LEU 104 HA LEU 104 2.432 15.333 -9.539 209 HB2 LEU 104 HB2 LEU 104 3.421 13.803 -7.819 210 HB3 LEU 104 HB3 LEU 104 4.490 15.100 -7.294 211 HG LEU 104 HG LEU 104 2.585 16.412 -6.499 212 HD11 LEU 104 HD11 LEU 104 0.901 14.012 -7.371 213 HD12 LEU 104 HD12 LEU 104 0.331 15.364 -6.373 214 HD13 LEU 104 HD13 LEU 104 0.815 15.654 -8.050 215 HD21 LEU 104 HD21 LEU 104 2.502 13.537 -5.507 216 HD22 LEU 104 HD22 LEU 104 3.675 14.783 -4.992 217 HD23 LEU 104 HD23 LEU 104 1.959 14.970 -4.624 218 H LYS 105 H LYS 105 5.631 16.880 -9.060 219 HA LYS 105 HA LYS 105 4.535 19.488 -8.402 220 HB2 LYS 105 HB2 LYS 105 6.802 18.818 -7.700 221 HB3 LYS 105 HB3 LYS 105 7.293 18.621 -9.379 222 HG2 LYS 105 HG2 LYS 105 8.194 20.685 -8.512 223 HG3 LYS 105 HG3 LYS 105 7.064 21.005 -9.808 224 HD2 LYS 105 HD2 LYS 105 6.676 22.665 -8.166 225 HD3 LYS 105 HD3 LYS 105 5.304 21.565 -8.042 226 HE2 LYS 105 HE2 LYS 105 6.487 20.425 -6.093 227 HE3 LYS 105 HE3 LYS 105 7.796 21.600 -6.270 228 HZ1 LYS 105 HZ1 LYS 105 6.328 22.395 -4.576 229 HZ2 LYS 105 HZ2 LYS 105 6.020 23.368 -5.859 230 HZ3 LYS 105 HZ3 LYS 105 4.988 22.133 -5.427 231 H GLU 106 H GLU 106 5.357 17.901 -11.509 232 HA GLU 106 HA GLU 106 5.227 20.348 -13.015 233 HB2 GLU 106 HB2 GLU 106 4.530 17.592 -14.065 234 HB3 GLU 106 HB3 GLU 106 5.086 19.018 -14.981 235 HG2 GLU 106 HG2 GLU 106 7.221 18.808 -13.521 236 HG3 GLU 106 HG3 GLU 106 6.543 17.221 -13.089 237 H TRP 107 H TRP 107 2.914 17.796 -12.258 238 HA TRP 107 HA TRP 107 0.682 18.937 -13.628 239 HB2 TRP 107 HB2 TRP 107 0.650 17.298 -11.078 240 HB3 TRP 107 HB3 TRP 107 -0.736 17.637 -12.110 241 HD1 TRP 107 HD1 TRP 107 1.986 16.735 -14.430 242 HE1 TRP 107 HE1 TRP 107 1.779 14.263 -15.126 243 HE3 TRP 107 HE3 TRP 107 -1.492 15.176 -11.001 244 HZ2 TRP 107 HZ2 TRP 107 0.739 11.865 -13.956 245 HZ3 TRP 107 HZ3 TRP 107 -2.204 12.804 -10.979 246 HH2 TRP 107 HH2 TRP 107 -1.031 11.118 -12.400 247 H LYS 108 H LYS 108 1.844 19.630 -10.315 248 HA LYS 108 HA LYS 108 -0.279 21.488 -9.647 249 HB2 LYS 108 HB2 LYS 108 2.594 21.256 -8.636 250 HB3 LYS 108 HB3 LYS 108 1.411 22.408 -8.009 251 HG2 LYS 108 HG2 LYS 108 -0.117 20.487 -7.463 252 HG3 LYS 108 HG3 LYS 108 1.178 19.374 -7.924 253 HD2 LYS 108 HD2 LYS 108 2.678 20.547 -6.252 254 HD3 LYS 108 HD3 LYS 108 1.274 21.498 -5.735 255 HE2 LYS 108 HE2 LYS 108 0.074 19.269 -5.264 256 HE3 LYS 108 HE3 LYS 108 1.590 18.457 -5.654 257 HZ1 LYS 108 HZ1 LYS 108 1.068 20.245 -3.353 258 HZ2 LYS 108 HZ2 LYS 108 1.644 18.698 -3.361 259 HZ3 LYS 108 HZ3 LYS 108 2.597 19.975 -3.861 260 H ALA 109 H ALA 109 2.813 21.877 -11.431 261 HA ALA 109 HA ALA 109 2.724 24.728 -11.526 262 HB1 ALA 109 HB1 ALA 109 4.747 23.275 -11.974 263 HB2 ALA 109 HB2 ALA 109 4.000 22.783 -13.511 264 HB3 ALA 109 HB3 ALA 109 4.427 24.475 -13.260 265 H LYS 110 H LYS 110 1.827 22.180 -13.820 266 HA LYS 110 HA LYS 110 1.046 23.844 -15.837 267 HB2 LYS 110 HB2 LYS 110 0.793 20.901 -15.316 268 HB3 LYS 110 HB3 LYS 110 0.127 21.588 -16.809 269 HG2 LYS 110 HG2 LYS 110 2.346 22.531 -17.379 270 HG3 LYS 110 HG3 LYS 110 3.024 21.866 -15.889 271 HD2 LYS 110 HD2 LYS 110 3.669 20.338 -17.579 272 HD3 LYS 110 HD3 LYS 110 2.346 19.563 -16.714 273 HE2 LYS 110 HE2 LYS 110 1.849 19.160 -18.983 274 HE3 LYS 110 HE3 LYS 110 0.783 20.499 -18.543 275 HZ1 LYS 110 HZ1 LYS 110 1.907 20.888 -20.685 276 HZ2 LYS 110 HZ2 LYS 110 2.375 22.030 -19.622 277 HZ3 LYS 110 HZ3 LYS 110 3.379 20.793 -19.989 278 H TRP 111 H TRP 111 -0.961 22.246 -13.412 279 HA TRP 111 HA TRP 111 -3.403 23.639 -14.486 280 HB2 TRP 111 HB2 TRP 111 -3.269 20.804 -13.416 281 HB3 TRP 111 HB3 TRP 111 -4.715 21.645 -13.957 282 HD1 TRP 111 HD1 TRP 111 -4.897 22.172 -16.626 283 HE1 TRP 111 HE1 TRP 111 -3.928 20.955 -18.672 284 HE3 TRP 111 HE3 TRP 111 -1.347 19.388 -14.276 285 HZ2 TRP 111 HZ2 TRP 111 -1.802 19.062 -19.220 286 HZ3 TRP 111 HZ3 TRP 111 0.245 17.976 -15.597 287 HH2 TRP 111 HH2 TRP 111 -0.009 17.756 -18.036 288 H GLY 112 H GLY 112 -2.082 22.082 -11.502 289 HA2 GLY 112 HA2 GLY 112 -1.936 23.988 -9.759 290 HA3 GLY 112 HA3 GLY 112 -3.684 24.040 -9.863 291 HA PRO 113 HA PRO 113 -2.114 20.741 -6.734 292 HB2 PRO 113 HB2 PRO 113 -2.480 22.137 -4.354 293 HB3 PRO 113 HB3 PRO 113 -0.937 21.948 -5.224 294 HG2 PRO 113 HG2 PRO 113 -2.858 24.265 -5.302 295 HG3 PRO 113 HG3 PRO 113 -1.062 24.291 -5.214 296 HD2 PRO 113 HD2 PRO 113 -2.398 24.722 -7.542 297 HD3 PRO 113 HD3 PRO 113 -0.851 23.829 -7.500 298 H GLU 114 H GLU 114 -4.829 23.096 -6.601 299 HA GLU 114 HA GLU 114 -6.643 21.556 -5.045 300 HB2 GLU 114 HB2 GLU 114 -7.392 23.286 -7.408 301 HB3 GLU 114 HB3 GLU 114 -8.324 22.924 -5.930 302 HG2 GLU 114 HG2 GLU 114 -6.516 24.199 -4.653 303 HG3 GLU 114 HG3 GLU 114 -5.860 24.660 -6.234 304 H ALA 115 H ALA 115 -6.084 21.737 -8.479 305 HA ALA 115 HA ALA 115 -8.001 19.863 -9.417 306 HB1 ALA 115 HB1 ALA 115 -6.782 19.954 -11.473 307 HB2 ALA 115 HB2 ALA 115 -6.597 21.570 -10.735 308 HB3 ALA 115 HB3 ALA 115 -5.261 20.369 -10.669 309 H VAL 116 H VAL 116 -4.517 19.535 -8.861 310 HA VAL 116 HA VAL 116 -4.197 16.899 -9.402 311 HB VAL 116 HB VAL 116 -2.691 18.851 -7.677 312 HG11 VAL 116 HG11 VAL 116 -0.729 17.423 -7.673 313 HG12 VAL 116 HG12 VAL 116 -2.028 16.689 -6.736 314 HG13 VAL 116 HG13 VAL 116 -1.679 16.074 -8.370 315 HG21 VAL 116 HG21 VAL 116 -2.847 19.117 -10.199 316 HG22 VAL 116 HG22 VAL 116 -1.187 18.899 -9.594 317 HG23 VAL 116 HG23 VAL 116 -2.069 17.544 -10.349 318 H GLU 117 H GLU 117 -4.827 18.310 -6.151 319 HA GLU 117 HA GLU 117 -4.841 15.767 -4.754 320 HB2 GLU 117 HB2 GLU 117 -6.049 18.491 -4.089 321 HB3 GLU 117 HB3 GLU 117 -6.084 17.095 -3.011 322 HG2 GLU 117 HG2 GLU 117 -3.617 17.024 -2.977 323 HG3 GLU 117 HG3 GLU 117 -3.541 18.438 -4.036 324 H SER 118 H SER 118 -7.355 17.629 -6.491 325 HA SER 118 HA SER 118 -9.604 16.121 -5.477 326 HB2 SER 118 HB2 SER 118 -9.795 18.375 -6.507 327 HB3 SER 118 HB3 SER 118 -9.379 17.672 -8.084 328 HG SER 118 HG SER 118 -11.678 17.866 -7.708 329 H TRP 119 H TRP 119 -7.403 15.669 -8.219 330 HA TRP 119 HA TRP 119 -8.798 13.414 -9.381 331 HB2 TRP 119 HB2 TRP 119 -5.850 14.064 -9.605 332 HB3 TRP 119 HB3 TRP 119 -6.835 13.098 -10.683 333 HD1 TRP 119 HD1 TRP 119 -9.177 15.492 -10.850 334 HE1 TRP 119 HE1 TRP 119 -8.715 17.447 -12.440 335 HE3 TRP 119 HE3 TRP 119 -4.110 14.935 -11.369 336 HZ2 TRP 119 HZ2 TRP 119 -6.431 18.650 -13.731 337 HZ3 TRP 119 HZ3 TRP 119 -2.820 16.477 -12.834 338 HH2 TRP 119 HH2 TRP 119 -3.962 18.334 -14.009 339 H ALA 120 H ALA 120 -7.040 13.554 -6.395 340 HA ALA 120 HA ALA 120 -5.564 11.177 -6.687 341 HB1 ALA 120 HB1 ALA 120 -5.151 13.109 -5.059 342 HB2 ALA 120 HB2 ALA 120 -6.379 12.347 -4.022 343 HB3 ALA 120 HB3 ALA 120 -4.901 11.451 -4.456 344 H THR 121 H THR 121 -5.605 9.558 -5.220 345 HA THR 121 HA THR 121 -8.141 8.102 -4.450 346 HB THR 121 HB THR 121 -5.803 7.056 -6.071 347 HG1 THR 121 HG1 THR 121 -7.388 6.828 -7.734 348 HG21 THR 121 HG21 THR 121 -8.394 5.848 -5.045 349 HG22 THR 121 HG22 THR 121 -7.431 5.068 -6.334 350 HG23 THR 121 HG23 THR 121 -6.738 5.268 -4.720 351 H LEU 122 H LEU 122 -7.863 6.866 -2.641 352 HA LEU 122 HA LEU 122 -5.290 7.198 -1.153 353 HB2 LEU 122 HB2 LEU 122 -7.194 8.113 -0.031 354 HB3 LEU 122 HB3 LEU 122 -8.173 6.691 -0.364 355 HG LEU 122 HG LEU 122 -6.811 5.331 1.159 356 HD11 LEU 122 HD11 LEU 122 -4.617 6.473 1.030 357 HD12 LEU 122 HD12 LEU 122 -5.309 7.879 1.869 358 HD13 LEU 122 HD13 LEU 122 -5.173 6.303 2.689 359 HD21 LEU 122 HD21 LEU 122 -7.758 7.918 2.450 360 HD22 LEU 122 HD22 LEU 122 -8.781 6.526 2.020 361 HD23 LEU 122 HD23 LEU 122 -7.533 6.351 3.260 362 H LEU 123 H LEU 123 -3.993 5.547 -0.935 363 HA LEU 123 HA LEU 123 -4.934 2.743 -1.339 364 HB2 LEU 123 HB2 LEU 123 -2.337 4.098 -2.191 365 HB3 LEU 123 HB3 LEU 123 -2.708 2.381 -2.381 366 HG LEU 123 HG LEU 123 -4.172 4.723 -3.704 367 HD11 LEU 123 HD11 LEU 123 -1.943 4.365 -4.570 368 HD12 LEU 123 HD12 LEU 123 -2.236 2.622 -4.758 369 HD13 LEU 123 HD13 LEU 123 -3.128 3.774 -5.766 370 HD21 LEU 123 HD21 LEU 123 -4.502 1.706 -4.105 371 HD22 LEU 123 HD22 LEU 123 -5.712 2.779 -3.384 372 HD23 LEU 123 HD23 LEU 123 -5.279 2.984 -5.083 373 H GLY 124 H GLY 124 -4.726 1.515 0.285 374 HA2 GLY 124 HA2 GLY 124 -3.530 2.300 2.772 375 HA3 GLY 124 HA3 GLY 124 -4.218 0.716 2.396 376 H HIS 125 H HIS 125 -2.137 0.546 0.103 377 HA HIS 125 HA HIS 125 0.444 0.305 1.456 378 HB2 HIS 125 HB2 HIS 125 0.689 -2.110 0.899 379 HB3 HIS 125 HB3 HIS 125 -0.466 -1.778 2.181 380 HD1 HIS 125 HD1 HIS 125 -1.375 -1.614 -1.554 381 HD2 HIS 125 HD2 HIS 125 -1.953 -3.951 1.913 382 HE1 HIS 125 HE1 HIS 125 -3.171 -3.404 -2.160 383 HE2 HIS 125 HE2 HIS 125 -3.510 -4.815 -0.029 384 H5' DC 1 H5' DC 1 -4.930 28.970 7.739 385 H5'' DC 1 H5'' DC 1 -3.561 29.795 6.997 386 H4' DC 1 H4' DC 1 -3.228 29.742 9.359 387 H3' DC 1 H3' DC 1 -1.385 28.655 7.553 388 H2' DC 1 H2' DC 1 -1.466 26.488 8.134 389 H2'' DC 1 H2'' DC 1 -0.471 26.922 9.514 390 H1' DC 1 H1' DC 1 -2.211 27.076 10.998 391 H41 DC 1 H41 DC 1 -4.975 21.369 9.091 392 H42 DC 1 H42 DC 1 -4.844 21.375 10.854 393 H5 DC 1 H5 DC 1 -4.220 23.284 7.731 394 H6 DC 1 H6 DC 1 -3.277 25.510 7.871 395 HO5' DC 1 H5T DC 1 -4.193 27.876 5.813 396 H5' DG 2 H5' DG 2 0.033 29.005 12.098 397 H5'' DG 2 H5'' DG 2 1.607 29.806 12.108 398 H4' DG 2 H4' DG 2 1.677 28.263 13.865 399 H3' DG 2 H3' DG 2 3.515 27.959 11.758 400 H2' DG 2 H2' DG 2 2.511 26.042 10.897 401 H2'' DG 2 H2'' DG 2 3.595 25.242 12.047 402 H1' DG 2 H1' DG 2 1.919 25.130 13.739 403 H8 DG 2 H8 DG 2 0.630 25.191 10.136 404 H1 DG 2 H1 DG 2 -1.234 20.090 13.600 405 H21 DG 2 H21 DG 2 0.604 21.620 16.070 406 H22 DG 2 H22 DG 2 -0.362 20.222 15.588 407 H5' DC 3 H5' DC 3 4.006 25.486 15.749 408 H5'' DC 3 H5'' DC 3 5.704 25.474 16.237 409 H4' DC 3 H4' DC 3 4.655 23.429 16.924 410 H3' DC 3 H3' DC 3 6.889 23.404 15.061 411 H2' DC 3 H2' DC 3 6.100 21.876 13.614 412 H2'' DC 3 H2'' DC 3 6.082 20.670 14.906 413 H1' DC 3 H1' DC 3 3.877 20.917 15.372 414 H41 DC 3 H41 DC 3 1.723 21.419 9.132 415 H42 DC 3 H42 DC 3 1.112 19.938 9.877 416 H5 DC 3 H5 DC 3 3.325 22.871 10.329 417 H6 DC 3 H6 DC 3 4.410 23.200 12.541 418 H5' DA 4 H5' DA 4 6.138 19.630 17.428 419 H5'' DA 4 H5'' DA 4 7.584 18.960 18.185 420 H4' DA 4 H4' DA 4 6.349 17.150 17.336 421 H3' DA 4 H3' DA 4 8.955 17.666 16.221 422 H2' DA 4 H2' DA 4 8.164 17.983 14.093 423 H2'' DA 4 H2'' DA 4 8.210 16.222 13.991 424 H1' DA 4 H1' DA 4 5.907 16.002 14.662 425 H8 DA 4 H8 DA 4 6.793 19.342 13.028 426 H61 DA 4 H61 DA 4 2.636 17.640 8.683 427 H62 DA 4 H62 DA 4 3.664 18.960 9.220 428 H2 DA 4 H2 DA 4 3.008 14.364 11.517 429 H5' DT 5 H5' DT 5 7.139 13.481 15.437 430 H5'' DT 5 H5'' DT 5 8.322 12.239 15.850 431 H4' DT 5 H4' DT 5 7.130 11.463 13.966 432 H3' DT 5 H3' DT 5 9.950 11.903 13.750 433 H2' DT 5 H2' DT 5 9.792 13.507 12.117 434 H2'' DT 5 H2'' DT 5 9.638 12.126 11.017 435 H1' DT 5 H1' DT 5 7.266 12.139 11.094 436 H3 DT 5 H3 DT 5 5.657 15.302 8.298 437 H71 DT 5 H71 DT 5 9.503 17.591 11.437 438 H72 DT 5 H72 DT 5 9.431 17.990 9.708 439 H73 DT 5 H73 DT 5 8.179 18.601 10.793 440 H6 DT 5 H6 DT 5 8.958 15.413 11.830 441 H5' DA 6 H5' DA 6 7.423 9.108 10.983 442 H5'' DA 6 H5'' DA 6 8.313 7.596 10.781 443 H4' DA 6 H4' DA 6 6.925 7.857 8.902 444 H3' DA 6 H3' DA 6 9.683 7.548 8.558 445 H2' DA 6 H2' DA 6 10.164 9.703 7.970 446 H2'' DA 6 H2'' DA 6 9.744 9.165 6.356 447 H1' DA 6 H1' DA 6 7.571 10.017 6.440 448 H8 DA 6 H8 DA 6 10.058 11.629 8.885 449 H61 DA 6 H61 DA 6 8.322 16.925 6.028 450 H62 DA 6 H62 DA 6 9.490 16.264 7.171 451 H2 DA 6 H2 DA 6 5.907 13.710 4.435 452 H5' DT 7 H5' DT 7 6.855 7.833 5.137 453 H5'' DT 7 H5'' DT 7 7.055 6.668 3.833 454 H4' DT 7 H4' DT 7 6.260 8.811 3.001 455 H3' DT 7 H3' DT 7 8.553 7.512 1.933 456 H2' DT 7 H2' DT 7 10.015 9.199 2.625 457 H2'' DT 7 H2'' DT 7 9.510 9.953 1.094 458 H1' DT 7 H1' DT 7 7.679 11.117 2.144 459 H3 DT 7 H3 DT 7 9.827 14.908 3.304 460 H71 DT 7 H71 DT 7 13.153 12.124 5.420 461 H72 DT 7 H72 DT 7 12.052 12.377 6.773 462 H73 DT 7 H73 DT 7 12.156 10.776 6.007 463 H6 DT 7 H6 DT 7 10.411 10.285 4.518 464 H5' DA 8 H5' DA 8 7.357 10.727 -1.398 465 H5'' DA 8 H5'' DA 8 7.493 9.833 -2.914 466 H4' DA 8 H4' DA 8 8.712 11.798 -3.257 467 H3' DA 8 H3' DA 8 10.440 9.410 -2.901 468 H2' DA 8 H2' DA 8 11.915 10.474 -1.586 469 H2'' DA 8 H2'' DA 8 12.348 11.466 -3.004 470 H1' DA 8 H1' DA 8 10.885 13.192 -2.448 471 H8 DA 8 H8 DA 8 11.585 11.028 0.767 472 H61 DA 8 H61 DA 8 13.407 16.640 2.960 473 H62 DA 8 H62 DA 8 13.177 14.981 3.507 474 H2 DA 8 H2 DA 8 12.191 17.162 -1.049 475 H5' DT 9 H5' DT 9 10.802 12.842 -5.876 476 H5'' DT 9 H5'' DT 9 11.375 12.220 -7.430 477 H4' DT 9 H4' DT 9 11.913 14.550 -7.303 478 H3' DT 9 H3' DT 9 13.921 12.592 -7.654 479 H2' DT 9 H2' DT 9 15.029 12.908 -5.714 480 H2'' DT 9 H2'' DT 9 15.756 14.304 -6.496 481 H1' DT 9 H1' DT 9 14.259 15.843 -5.590 482 H3 DT 9 H3 DT 9 15.333 16.461 -1.236 483 H71 DT 9 H71 DT 9 14.321 11.806 -0.469 484 H72 DT 9 H72 DT 9 14.636 11.109 -2.078 485 H73 DT 9 H73 DT 9 15.978 11.670 -1.062 486 H6 DT 9 H6 DT 9 14.174 12.554 -3.831 487 H5' DG 10 H5' DG 10 14.568 17.163 -8.165 488 H5'' DG 10 H5'' DG 10 15.345 17.444 -9.723 489 H4' DG 10 H4' DG 10 15.935 19.241 -8.306 490 H3' DG 10 H3' DG 10 17.901 17.696 -9.522 491 H2' DG 10 H2' DG 10 18.494 16.513 -7.603 492 H2'' DG 10 H2'' DG 10 19.632 17.851 -7.406 493 H1' DG 10 H1' DG 10 18.184 19.050 -5.954 494 H8 DG 10 H8 DG 10 17.627 15.269 -6.040 495 H1 DG 10 H1 DG 10 19.058 17.666 -0.236 496 H21 DG 10 H21 DG 10 19.292 20.623 -1.959 497 H22 DG 10 H22 DG 10 19.511 19.762 -0.434 498 H5' DC 11 H5' DC 11 19.144 21.658 -7.201 499 H5'' DC 11 H5'' DC 11 20.144 22.585 -8.314 500 H4' DC 11 H4' DC 11 20.729 23.190 -6.101 501 H3' DC 11 H3' DC 11 22.643 22.291 -7.921 502 H2' DC 11 H2' DC 11 23.057 20.238 -6.979 503 H2'' DC 11 H2'' DC 11 24.165 21.125 -5.933 504 H1' DC 11 H1' DC 11 22.652 21.332 -4.191 505 H41 DC 11 H41 DC 11 21.047 14.917 -3.982 506 H42 DC 11 H42 DC 11 21.414 15.487 -2.350 507 H5 DC 11 H5 DC 11 21.224 16.387 -5.905 508 H6 DC 11 H6 DC 11 21.648 18.743 -6.572 509 H5' DG 12 H5' DG 12 24.690 23.628 -3.995 510 H5'' DG 12 H5'' DG 12 26.233 24.453 -4.249 511 H4' DG 12 H4' DG 12 26.552 22.767 -2.591 512 H3' DG 12 H3' DG 12 27.764 22.041 -5.254 513 HO3' DG 12 H3T DG 12 28.926 23.548 -3.945 514 H2' DG 12 H2' DG 12 27.967 19.876 -4.715 515 H2'' DG 12 H2'' DG 12 28.606 20.245 -3.091 516 H1' DG 12 H1' DG 12 26.551 20.140 -2.092 517 H8 DG 12 H8 DG 12 25.707 19.207 -5.721 518 H1 DG 12 H1 DG 12 24.689 14.634 -1.286 519 H21 DG 12 H21 DG 12 26.040 16.999 0.824 520 H22 DG 12 H22 DG 12 25.495 15.332 0.639 521 H5' DC 13 H5' DC 13 25.568 7.749 3.369 522 H5'' DC 13 H5'' DC 13 25.009 7.737 5.038 523 H4' DC 13 H4' DC 13 26.320 9.710 4.641 524 H3' DC 13 H3' DC 13 23.743 9.770 5.680 525 H2' DC 13 H2' DC 13 22.695 10.700 3.823 526 H2'' DC 13 H2'' DC 13 23.206 12.231 4.573 527 H1' DC 13 H1' DC 13 25.189 12.351 3.337 528 H41 DC 13 H41 DC 13 22.188 11.949 -2.541 529 H42 DC 13 H42 DC 13 23.340 13.291 -2.578 530 H5 DC 13 H5 DC 13 21.842 10.594 -0.523 531 H6 DC 13 H6 DC 13 22.658 10.227 1.741 532 HO5' DC 13 H5T DC 13 23.338 7.095 3.515 533 H5' DG 14 H5' DG 14 26.248 14.061 5.953 534 H5'' DG 14 H5'' DG 14 26.057 14.401 7.670 535 H4' DG 14 H4' DG 14 26.242 16.488 6.679 536 H3' DG 14 H3' DG 14 23.898 15.909 8.061 537 H2' DG 14 H2' DG 14 22.528 15.602 6.194 538 H2'' DG 14 H2'' DG 14 22.303 17.329 6.331 539 H1' DG 14 H1' DG 14 23.874 17.844 4.700 540 H8 DG 14 H8 DG 14 22.512 14.281 4.520 541 H1 DG 14 H1 DG 14 22.247 17.586 -1.004 542 H21 DG 14 H21 DG 14 23.747 20.044 0.864 543 H22 DG 14 H22 DG 14 23.062 19.560 -0.691 544 H5' DC 15 H5' DC 15 24.171 20.092 6.244 545 H5'' DC 15 H5'' DC 15 23.479 21.426 7.170 546 H4' DC 15 H4' DC 15 22.889 21.584 4.816 547 H3' DC 15 H3' DC 15 20.673 21.116 6.771 548 H2' DC 15 H2' DC 15 19.297 20.230 5.235 549 H2'' DC 15 H2'' DC 15 19.563 21.584 4.111 550 H1' DC 15 H1' DC 15 21.240 20.576 2.978 551 H41 DC 15 H41 DC 15 18.696 14.510 2.583 552 H42 DC 15 H42 DC 15 18.575 15.322 1.015 553 H5 DC 15 H5 DC 15 19.440 15.733 4.584 554 H6 DC 15 H6 DC 15 20.412 17.892 5.331 555 H5' DA 16 H5' DA 16 20.555 23.791 3.259 556 H5'' DA 16 H5'' DA 16 19.951 25.417 3.562 557 H4' DA 16 H4' DA 16 19.326 24.819 1.369 558 H3' DA 16 H3' DA 16 17.337 25.469 3.281 559 H2' DA 16 H2' DA 16 16.533 23.309 3.447 560 H2'' DA 16 H2'' DA 16 15.492 23.829 2.122 561 H1' DA 16 H1' DA 16 16.970 22.948 0.446 562 H8 DA 16 H8 DA 16 17.269 21.295 3.873 563 H61 DA 16 H61 DA 16 15.680 16.062 0.832 564 H62 DA 16 H62 DA 16 16.239 16.676 2.379 565 H2 DA 16 H2 DA 16 15.340 19.356 -1.954 566 H5' DT 17 H5' DT 17 15.811 24.945 -1.030 567 H5'' DT 17 H5'' DT 17 14.734 26.259 -1.516 568 H4' DT 17 H4' DT 17 13.910 24.224 -2.441 569 H3' DT 17 H3' DT 17 12.279 25.755 -0.644 570 H2' DT 17 H2' DT 17 12.047 24.077 0.899 571 H2'' DT 17 H2'' DT 17 10.795 23.455 -0.190 572 H1' DT 17 H1' DT 17 12.323 22.057 -1.372 573 H3 DT 17 H3 DT 17 12.845 18.251 1.027 574 H71 DT 17 H71 DT 17 12.861 21.077 4.950 575 H72 DT 17 H72 DT 17 14.594 20.937 4.614 576 H73 DT 17 H73 DT 17 13.750 22.483 4.325 577 H6 DT 17 H6 DT 17 13.314 22.905 2.132 578 H5' DA 18 H5' DA 18 10.353 22.443 -2.917 579 H5'' DA 18 H5'' DA 18 9.011 23.024 -3.900 580 H4' DA 18 H4' DA 18 8.318 20.929 -3.230 581 H3' DA 18 H3' DA 18 6.901 23.086 -1.842 582 H2' DA 18 H2' DA 18 7.380 22.287 0.219 583 H2'' DA 18 H2'' DA 18 6.087 21.115 -0.120 584 H1' DA 18 H1' DA 18 7.601 19.484 -0.886 585 H8 DA 18 H8 DA 18 8.962 21.902 1.773 586 H61 DA 18 H61 DA 18 10.913 16.510 4.415 587 H62 DA 18 H62 DA 18 10.817 18.238 4.756 588 H2 DA 18 H2 DA 18 9.429 15.615 0.537 589 H5' DT 19 H5' DT 19 5.646 18.806 -2.346 590 H5'' DT 19 H5'' DT 19 4.091 18.752 -3.180 591 H4' DT 19 H4' DT 19 3.867 16.971 -1.682 592 H3' DT 19 H3' DT 19 2.293 19.273 -0.998 593 H2' DT 19 H2' DT 19 3.624 19.852 0.788 594 H2'' DT 19 H2'' DT 19 2.489 18.756 1.635 595 H1' DT 19 H1' DT 19 3.900 16.827 1.192 596 H3 DT 19 H3 DT 19 6.910 16.447 4.481 597 H71 DT 19 H71 DT 19 6.415 21.723 3.182 598 H72 DT 19 H72 DT 19 6.037 21.268 4.868 599 H73 DT 19 H73 DT 19 7.697 21.175 4.284 600 H6 DT 19 H6 DT 19 5.333 20.145 1.842 601 H5' DA 20 H5' DA 20 -1.386 15.417 -0.001 602 H5'' DA 20 H5'' DA 20 -0.079 16.187 0.872 603 H4' DA 20 H4' DA 20 0.036 13.251 0.122 604 H3' DA 20 H3' DA 20 -1.903 14.391 1.746 605 H2' DA 20 H2' DA 20 -0.472 15.433 3.214 606 H2'' DA 20 H2'' DA 20 -0.594 13.896 4.085 607 H1' DA 20 H1' DA 20 1.430 13.065 3.222 608 H8 DA 20 H8 DA 20 1.637 16.844 2.382 609 H61 DA 20 H61 DA 20 5.254 17.308 7.416 610 H62 DA 20 H62 DA 20 4.483 18.225 6.122 611 H2 DA 20 H2 DA 20 3.968 13.175 7.128 612 H5' DT 21 H5' DT 21 -0.190 11.076 4.169 613 H5'' DT 21 H5'' DT 21 -1.456 9.849 4.184 614 H4' DT 21 H4' DT 21 -0.510 9.614 6.277 615 H3' DT 21 H3' DT 21 -3.126 10.508 6.265 616 H2' DT 21 H2' DT 21 -2.725 12.731 6.771 617 H2'' DT 21 H2'' DT 21 -2.783 12.113 8.443 618 H1' DT 21 H1' DT 21 -0.504 11.883 8.633 619 H3 DT 21 H3 DT 21 1.995 15.623 8.952 620 H71 DT 21 H71 DT 21 -1.324 17.735 6.176 621 H72 DT 21 H72 DT 21 -0.174 17.227 4.932 622 H73 DT 21 H73 DT 21 -1.764 16.421 5.063 623 H6 DT 21 H6 DT 21 -1.605 14.325 5.987 624 H5' DG 22 H5' DG 22 -1.108 9.648 10.356 625 H5'' DG 22 H5'' DG 22 -2.211 8.804 11.462 626 H4' DG 22 H4' DG 22 -0.984 10.352 12.751 627 H3' DG 22 H3' DG 22 -3.825 10.674 12.554 628 H2' DG 22 H2' DG 22 -3.651 12.737 11.494 629 H2'' DG 22 H2'' DG 22 -3.529 13.332 13.170 630 H1' DG 22 H1' DG 22 -1.123 13.179 13.131 631 H8 DG 22 H8 DG 22 -2.808 13.986 9.777 632 H1 DG 22 H1 DG 22 1.198 18.485 12.094 633 H21 DG 22 H21 DG 22 1.510 16.231 14.684 634 H22 DG 22 H22 DG 22 1.919 17.831 14.050 635 H5' DC 23 H5' DC 23 -1.125 12.371 16.066 636 H5'' DC 23 H5'' DC 23 -1.933 11.841 17.540 637 H4' DC 23 H4' DC 23 -0.627 13.715 18.109 638 H3' DC 23 H3' DC 23 -3.382 13.710 18.558 639 H2' DC 23 H2' DC 23 -3.994 15.246 16.957 640 H2'' DC 23 H2'' DC 23 -3.560 16.446 18.154 641 H1' DC 23 H1' DC 23 -1.430 16.811 17.316 642 H41 DC 23 H41 DC 23 -3.685 17.742 11.156 643 H42 DC 23 H42 DC 23 -2.688 19.120 11.632 644 H5 DC 23 H5 DC 23 -4.092 15.876 12.682 645 H6 DC 23 H6 DC 23 -3.492 14.984 14.921 646 H5' DG 24 H5' DG 24 -1.600 17.539 20.443 647 H5'' DG 24 H5'' DG 24 -2.404 17.982 21.952 648 H4' DG 24 H4' DG 24 -2.334 19.912 20.561 649 H3' DG 24 H3' DG 24 -5.085 18.695 20.690 650 HO3' DG 24 H3T DG 24 -5.421 20.572 21.999 651 H2' DG 24 H2' DG 24 -5.815 19.930 18.957 652 H2'' DG 24 H2'' DG 24 -5.019 21.411 19.546 653 H1' DG 24 H1' DG 24 -3.109 21.044 18.344 654 H8 DG 24 H8 DG 24 -5.283 18.093 17.200 655 H1 DG 24 H1 DG 24 -4.004 22.615 12.769 656 H21 DG 24 H21 DG 24 -2.299 24.056 15.402 657 H22 DG 24 H22 DG 24 -2.841 24.223 13.731 Start of MODEL 20 1 H ALA 79 H1 ALA 79 -1.662 7.010 9.090 2 HA ALA 79 HA ALA 79 1.171 6.161 9.332 3 HB1 ALA 79 HB1 ALA 79 -1.278 4.933 7.993 4 HB2 ALA 79 HB2 ALA 79 0.397 4.309 7.846 5 HB3 ALA 79 HB3 ALA 79 -0.434 4.288 9.418 6 H ARG 80 H ARG 80 2.384 6.126 7.428 7 HA ARG 80 HA ARG 80 2.015 8.269 5.548 8 HB2 ARG 80 HB2 ARG 80 4.022 6.010 5.801 9 HB3 ARG 80 HB3 ARG 80 4.113 7.228 4.524 10 HG2 ARG 80 HG2 ARG 80 3.962 7.916 7.481 11 HG3 ARG 80 HG3 ARG 80 5.475 7.767 6.579 12 HD2 ARG 80 HD2 ARG 80 5.263 9.940 6.023 13 HD3 ARG 80 HD3 ARG 80 3.895 9.473 5.018 14 HE ARG 80 HE ARG 80 2.411 10.384 6.559 15 HH11 ARG 80 HH11 ARG 80 5.617 10.417 8.065 16 HH12 ARG 80 HH12 ARG 80 5.095 11.687 9.147 17 HH21 ARG 80 HH21 ARG 80 1.875 11.835 8.232 18 HH22 ARG 80 HH22 ARG 80 3.125 12.308 9.326 19 H LYS 81 H LYS 81 -0.248 7.282 5.123 20 HA LYS 81 HA LYS 81 -0.824 5.268 3.233 21 HB2 LYS 81 HB2 LYS 81 -2.104 7.974 3.857 22 HB3 LYS 81 HB3 LYS 81 -2.849 6.775 2.808 23 HG2 LYS 81 HG2 LYS 81 -3.283 5.276 4.566 24 HG3 LYS 81 HG3 LYS 81 -2.119 6.038 5.668 25 HD2 LYS 81 HD2 LYS 81 -3.487 8.017 5.896 26 HD3 LYS 81 HD3 LYS 81 -4.625 7.452 4.667 27 HE2 LYS 81 HE2 LYS 81 -5.195 5.488 6.119 28 HE3 LYS 81 HE3 LYS 81 -4.069 6.096 7.344 29 HZ1 LYS 81 HZ1 LYS 81 -5.433 8.152 7.452 30 HZ2 LYS 81 HZ2 LYS 81 -6.532 7.494 6.423 31 HZ3 LYS 81 HZ3 LYS 81 -6.287 6.824 7.897 32 H VAL 82 H VAL 82 -0.506 5.080 1.291 33 HA VAL 82 HA VAL 82 0.798 7.018 -0.471 34 HB VAL 82 HB VAL 82 -0.505 4.329 -1.042 35 HG11 VAL 82 HG11 VAL 82 1.088 6.179 -2.871 36 HG12 VAL 82 HG12 VAL 82 0.886 4.436 -3.172 37 HG13 VAL 82 HG13 VAL 82 -0.531 5.472 -3.116 38 HG21 VAL 82 HG21 VAL 82 1.716 3.435 -1.099 39 HG22 VAL 82 HG22 VAL 82 2.422 5.034 -0.811 40 HG23 VAL 82 HG23 VAL 82 1.447 4.231 0.462 41 H LYS 83 H LYS 83 -0.111 8.417 -1.824 42 HA LYS 83 HA LYS 83 -3.017 8.217 -2.451 43 HB2 LYS 83 HB2 LYS 83 -1.222 10.599 -2.085 44 HB3 LYS 83 HB3 LYS 83 -2.387 10.635 -3.426 45 HG2 LYS 83 HG2 LYS 83 -4.254 10.237 -1.984 46 HG3 LYS 83 HG3 LYS 83 -3.199 10.084 -0.559 47 HD2 LYS 83 HD2 LYS 83 -2.468 12.374 -0.743 48 HD3 LYS 83 HD3 LYS 83 -3.254 12.572 -2.319 49 HE2 LYS 83 HE2 LYS 83 -5.380 12.671 -1.482 50 HE3 LYS 83 HE3 LYS 83 -4.953 11.871 0.055 51 HZ1 LYS 83 HZ1 LYS 83 -5.283 14.331 0.227 52 HZ2 LYS 83 HZ2 LYS 83 -3.849 13.802 0.780 53 HZ3 LYS 83 HZ3 LYS 83 -3.957 14.566 -0.707 54 H GLN 84 H GLN 84 -3.445 7.604 -4.442 55 HA GLN 84 HA GLN 84 -1.272 7.531 -6.444 56 HB2 GLN 84 HB2 GLN 84 -2.219 5.532 -6.898 57 HB3 GLN 84 HB3 GLN 84 -3.732 5.909 -6.050 58 HG2 GLN 84 HG2 GLN 84 -4.535 7.111 -7.983 59 HG3 GLN 84 HG3 GLN 84 -2.996 6.833 -8.852 60 HE21 GLN 84 HE21 GLN 84 -2.378 4.421 -9.174 61 HE22 GLN 84 HE22 GLN 84 -3.724 3.325 -9.450 62 H TYR 85 H TYR 85 -1.524 8.866 -8.187 63 HA TYR 85 HA TYR 85 -3.829 10.784 -8.216 64 HB2 TYR 85 HB2 TYR 85 -0.914 11.470 -8.785 65 HB3 TYR 85 HB3 TYR 85 -2.286 12.564 -8.877 66 HD1 TYR 85 HD1 TYR 85 -3.429 13.342 -6.852 67 HD2 TYR 85 HD2 TYR 85 0.158 10.977 -6.651 68 HE1 TYR 85 HE1 TYR 85 -3.023 14.190 -4.544 69 HE2 TYR 85 HE2 TYR 85 0.587 11.822 -4.346 70 HH TYR 85 HH TYR 85 -1.556 14.255 -2.801 71 H LYS 86 H LYS 86 -4.678 11.084 -10.271 72 HA LYS 86 HA LYS 86 -3.218 9.963 -12.633 73 HB2 LYS 86 HB2 LYS 86 -4.861 8.311 -11.949 74 HB3 LYS 86 HB3 LYS 86 -6.126 9.529 -11.818 75 HG2 LYS 86 HG2 LYS 86 -6.185 9.880 -14.207 76 HG3 LYS 86 HG3 LYS 86 -4.709 8.940 -14.455 77 HD2 LYS 86 HD2 LYS 86 -5.905 6.905 -13.585 78 HD3 LYS 86 HD3 LYS 86 -7.392 7.874 -13.462 79 HE2 LYS 86 HE2 LYS 86 -7.228 8.357 -15.928 80 HE3 LYS 86 HE3 LYS 86 -5.779 7.346 -16.006 81 HZ1 LYS 86 HZ1 LYS 86 -8.496 6.384 -15.223 82 HZ2 LYS 86 HZ2 LYS 86 -7.779 6.107 -16.665 83 HZ3 LYS 86 HZ3 LYS 86 -7.163 5.440 -15.307 84 H ASN 87 H ASN 87 -3.285 11.219 -14.407 85 HA ASN 87 HA ASN 87 -4.520 13.911 -14.056 86 HB2 ASN 87 HB2 ASN 87 -2.141 13.675 -14.284 87 HB3 ASN 87 HB3 ASN 87 -2.313 12.944 -15.877 88 HD21 ASN 87 HD22 ASN 87 -0.893 15.408 -15.094 89 HD22 ASN 87 HD21 ASN 87 -1.719 16.707 -15.956 90 HA PRO 88 HA PRO 88 -7.707 12.657 -17.097 91 HB2 PRO 88 HB2 PRO 88 -8.281 15.606 -16.736 92 HB3 PRO 88 HB3 PRO 88 -9.434 14.238 -16.833 93 HG2 PRO 88 HG2 PRO 88 -8.801 15.322 -14.427 94 HG3 PRO 88 HG3 PRO 88 -8.899 13.542 -14.605 95 HD2 PRO 88 HD2 PRO 88 -6.436 15.292 -14.577 96 HD3 PRO 88 HD3 PRO 88 -6.731 13.720 -13.788 97 H HIS 89 H HIS 89 -5.366 15.302 -17.410 98 HA HIS 89 HA HIS 89 -6.054 15.894 -20.211 99 HB2 HIS 89 HB2 HIS 89 -3.833 17.009 -18.457 100 HB3 HIS 89 HB3 HIS 89 -4.404 17.665 -19.985 101 HD1 HIS 89 HD1 HIS 89 -6.997 18.697 -19.932 102 HD2 HIS 89 HD2 HIS 89 -5.132 17.728 -16.269 103 HE1 HIS 89 HE1 HIS 89 -8.370 19.867 -18.095 104 HE2 HIS 89 HE2 HIS 89 -7.230 19.284 -15.867 105 H THR 90 H THR 90 -3.760 13.815 -18.620 106 HA THR 90 HA THR 90 -2.274 13.415 -21.204 107 HB THR 90 HB THR 90 -0.276 13.018 -19.911 108 HG1 THR 90 HG1 THR 90 -0.365 13.246 -17.642 109 HG21 THR 90 HG21 THR 90 -1.616 15.475 -18.703 110 HG22 THR 90 HG22 THR 90 0.129 15.168 -18.857 111 HG23 THR 90 HG23 THR 90 -0.848 15.444 -20.317 112 H GLY 91 H GLY 91 -3.945 11.788 -18.572 113 HA2 GLY 91 HA2 GLY 91 -4.540 9.573 -18.344 114 HA3 GLY 91 HA3 GLY 91 -3.701 9.169 -19.846 115 H GLU 92 H GLU 92 -1.659 10.899 -17.606 116 HA GLU 92 HA GLU 92 -0.123 8.510 -16.991 117 HB2 GLU 92 HB2 GLU 92 0.276 11.470 -16.548 118 HB3 GLU 92 HB3 GLU 92 1.238 10.297 -15.660 119 HG2 GLU 92 HG2 GLU 92 1.032 10.110 -18.650 120 HG3 GLU 92 HG3 GLU 92 2.160 11.238 -17.860 121 H VAL 93 H VAL 93 0.351 7.951 -14.956 122 HA VAL 93 HA VAL 93 -1.340 8.808 -12.677 123 HB VAL 93 HB VAL 93 -0.567 5.989 -13.368 124 HG11 VAL 93 HG11 VAL 93 -2.353 5.327 -11.702 125 HG12 VAL 93 HG12 VAL 93 -1.026 6.176 -10.930 126 HG13 VAL 93 HG13 VAL 93 -2.544 7.030 -11.264 127 HG21 VAL 93 HG21 VAL 93 -2.180 6.711 -15.039 128 HG22 VAL 93 HG22 VAL 93 -3.028 5.648 -13.909 129 HG23 VAL 93 HG23 VAL 93 -3.217 7.417 -13.789 130 H ILE 94 H ILE 94 -0.429 8.387 -10.670 131 HA ILE 94 HA ILE 94 2.397 7.637 -10.326 132 HB ILE 94 HB ILE 94 1.858 9.893 -8.602 133 HG12 ILE 94 HG12 ILE 94 1.876 10.787 -11.509 134 HG13 ILE 94 HG13 ILE 94 0.435 10.772 -10.471 135 HG21 ILE 94 HG21 ILE 94 4.030 10.595 -9.218 136 HG22 ILE 94 HG22 ILE 94 4.068 8.838 -9.194 137 HG23 ILE 94 HG23 ILE 94 3.975 9.696 -10.762 138 HD11 ILE 94 HD11 ILE 94 2.949 12.405 -10.008 139 HD12 ILE 94 HD12 ILE 94 1.326 12.990 -10.415 140 HD13 ILE 94 HD13 ILE 94 1.625 12.231 -8.829 141 H GLU 95 H GLU 95 2.898 7.545 -8.018 142 HA GLU 95 HA GLU 95 0.747 7.277 -6.027 143 HB2 GLU 95 HB2 GLU 95 2.586 5.079 -6.977 144 HB3 GLU 95 HB3 GLU 95 1.992 5.101 -5.293 145 HG2 GLU 95 HG2 GLU 95 -0.292 4.986 -5.993 146 HG3 GLU 95 HG3 GLU 95 0.147 5.155 -7.703 147 H THR 96 H THR 96 1.465 8.447 -4.329 148 HA THR 96 HA THR 96 4.293 8.251 -3.432 149 HB THR 96 HB THR 96 4.939 10.361 -3.767 150 HG1 THR 96 HG1 THR 96 3.640 12.164 -3.491 151 HG21 THR 96 HG21 THR 96 2.574 10.568 -5.688 152 HG22 THR 96 HG22 THR 96 4.029 11.593 -5.699 153 HG23 THR 96 HG23 THR 96 4.168 9.885 -6.098 154 H LYS 97 H LYS 97 4.589 8.926 -1.199 155 HA LYS 97 HA LYS 97 2.061 8.874 0.412 156 HB2 LYS 97 HB2 LYS 97 4.933 8.694 1.295 157 HB3 LYS 97 HB3 LYS 97 3.522 8.346 2.287 158 HG2 LYS 97 HG2 LYS 97 3.001 6.359 1.005 159 HG3 LYS 97 HG3 LYS 97 4.213 6.741 -0.216 160 HD2 LYS 97 HD2 LYS 97 5.954 6.587 1.702 161 HD3 LYS 97 HD3 LYS 97 4.666 5.813 2.625 162 HE2 LYS 97 HE2 LYS 97 5.990 4.085 1.658 163 HE3 LYS 97 HE3 LYS 97 4.458 4.100 0.783 164 HZ1 LYS 97 HZ1 LYS 97 6.436 3.944 -0.702 165 HZ2 LYS 97 HZ2 LYS 97 5.599 5.317 -1.025 166 HZ3 LYS 97 HZ3 LYS 97 6.986 5.403 -0.193 167 H GLY 98 H GLY 98 3.415 11.243 -1.091 168 HA2 GLY 98 HA2 GLY 98 2.809 13.571 -0.417 169 HA3 GLY 98 HA3 GLY 98 3.647 13.244 1.110 170 H GLY 99 H GLY 99 4.797 15.170 0.463 171 HA2 GLY 99 HA2 GLY 99 6.829 16.073 0.155 172 HA3 GLY 99 HA3 GLY 99 7.417 14.494 -0.332 173 H ASN 100 H ASN 100 8.529 16.679 -1.265 174 HA ASN 100 HA ASN 100 7.937 17.585 -3.886 175 HB2 ASN 100 HB2 ASN 100 9.584 18.702 -2.574 176 HB3 ASN 100 HB3 ASN 100 10.362 17.207 -2.130 177 HD21 ASN 100 HD22 ASN 100 12.216 18.598 -2.567 178 HD22 ASN 100 HD21 ASN 100 12.952 18.225 -4.112 179 H HIS 101 H HIS 101 7.223 16.066 -5.315 180 HA HIS 101 HA HIS 101 9.125 13.937 -6.179 181 HB2 HIS 101 HB2 HIS 101 7.210 13.043 -4.794 182 HB3 HIS 101 HB3 HIS 101 6.095 13.630 -6.016 183 HD1 HIS 101 HD1 HIS 101 9.049 11.061 -5.677 184 HD2 HIS 101 HD2 HIS 101 5.703 12.028 -8.098 185 HE1 HIS 101 HE1 HIS 101 8.786 9.155 -7.361 186 HE2 HIS 101 HE2 HIS 101 6.774 9.735 -8.848 187 H LYS 102 H LYS 102 9.551 13.957 -8.367 188 HA LYS 102 HA LYS 102 9.246 16.278 -9.784 189 HB2 LYS 102 HB2 LYS 102 10.856 14.346 -10.195 190 HB3 LYS 102 HB3 LYS 102 9.587 13.596 -11.156 191 HG2 LYS 102 HG2 LYS 102 10.907 14.765 -12.730 192 HG3 LYS 102 HG3 LYS 102 9.487 15.774 -12.502 193 HD2 LYS 102 HD2 LYS 102 11.452 17.177 -12.625 194 HD3 LYS 102 HD3 LYS 102 10.734 17.303 -11.038 195 HE2 LYS 102 HE2 LYS 102 13.113 17.241 -10.764 196 HE3 LYS 102 HE3 LYS 102 12.471 15.732 -10.126 197 HZ1 LYS 102 HZ1 LYS 102 14.414 15.319 -11.483 198 HZ2 LYS 102 HZ2 LYS 102 13.145 14.659 -12.257 199 HZ3 LYS 102 HZ3 LYS 102 13.773 16.079 -12.789 200 H THR 103 H THR 103 7.350 13.446 -10.997 201 HA THR 103 HA THR 103 5.871 14.981 -12.829 202 HB THR 103 HB THR 103 4.868 12.461 -11.469 203 HG1 THR 103 HG1 THR 103 5.942 11.448 -13.220 204 HG21 THR 103 HG21 THR 103 3.115 13.441 -12.774 205 HG22 THR 103 HG22 THR 103 4.228 13.904 -14.070 206 HG23 THR 103 HG23 THR 103 3.797 12.182 -13.809 207 H LEU 104 H LEU 104 5.044 14.233 -9.465 208 HA LEU 104 HA LEU 104 2.430 15.353 -9.413 209 HB2 LEU 104 HB2 LEU 104 3.428 13.794 -7.743 210 HB3 LEU 104 HB3 LEU 104 4.535 15.064 -7.220 211 HG LEU 104 HG LEU 104 2.656 16.388 -6.360 212 HD11 LEU 104 HD11 LEU 104 0.402 15.345 -6.195 213 HD12 LEU 104 HD12 LEU 104 0.853 15.635 -7.883 214 HD13 LEU 104 HD13 LEU 104 0.945 13.996 -7.200 215 HD21 LEU 104 HD21 LEU 104 3.789 14.744 -4.903 216 HD22 LEU 104 HD22 LEU 104 2.082 14.930 -4.476 217 HD23 LEU 104 HD23 LEU 104 2.601 13.503 -5.389 218 H LYS 105 H LYS 105 5.645 16.872 -8.956 219 HA LYS 105 HA LYS 105 4.582 19.514 -8.317 220 HB2 LYS 105 HB2 LYS 105 7.320 18.488 -9.176 221 HB3 LYS 105 HB3 LYS 105 7.010 20.192 -8.952 222 HG2 LYS 105 HG2 LYS 105 6.712 18.046 -6.799 223 HG3 LYS 105 HG3 LYS 105 8.072 19.146 -6.983 224 HD2 LYS 105 HD2 LYS 105 5.231 19.857 -6.156 225 HD3 LYS 105 HD3 LYS 105 6.694 19.946 -5.185 226 HE2 LYS 105 HE2 LYS 105 7.596 21.697 -6.785 227 HE3 LYS 105 HE3 LYS 105 6.036 21.677 -7.617 228 HZ1 LYS 105 HZ1 LYS 105 5.995 23.451 -6.013 229 HZ2 LYS 105 HZ2 LYS 105 5.015 22.268 -5.396 230 HZ3 LYS 105 HZ3 LYS 105 6.497 22.474 -4.787 231 H GLU 106 H GLU 106 5.326 17.895 -11.412 232 HA GLU 106 HA GLU 106 5.186 20.343 -12.927 233 HB2 GLU 106 HB2 GLU 106 4.452 17.590 -13.954 234 HB3 GLU 106 HB3 GLU 106 5.000 19.002 -14.886 235 HG2 GLU 106 HG2 GLU 106 7.178 18.765 -13.469 236 HG3 GLU 106 HG3 GLU 106 6.483 17.186 -13.035 237 H TRP 107 H TRP 107 2.884 17.775 -12.141 238 HA TRP 107 HA TRP 107 0.645 18.914 -13.496 239 HB2 TRP 107 HB2 TRP 107 0.644 17.220 -10.979 240 HB3 TRP 107 HB3 TRP 107 -0.763 17.578 -11.977 241 HD1 TRP 107 HD1 TRP 107 1.993 16.830 -14.321 242 HE1 TRP 107 HE1 TRP 107 1.899 14.400 -15.099 243 HE3 TRP 107 HE3 TRP 107 -1.445 15.011 -10.970 244 HZ2 TRP 107 HZ2 TRP 107 0.739 11.947 -14.233 245 HZ3 TRP 107 HZ3 TRP 107 -2.084 12.617 -11.060 246 HH2 TRP 107 HH2 TRP 107 -0.961 11.066 -12.641 247 H LYS 108 H LYS 108 1.840 19.647 -10.217 248 HA LYS 108 HA LYS 108 -0.283 21.503 -9.525 249 HB2 LYS 108 HB2 LYS 108 2.630 21.340 -8.623 250 HB3 LYS 108 HB3 LYS 108 1.452 22.496 -7.983 251 HG2 LYS 108 HG2 LYS 108 -0.047 20.588 -7.370 252 HG3 LYS 108 HG3 LYS 108 1.219 19.458 -7.856 253 HD2 LYS 108 HD2 LYS 108 2.787 20.581 -6.242 254 HD3 LYS 108 HD3 LYS 108 1.451 21.625 -5.717 255 HE2 LYS 108 HE2 LYS 108 0.136 19.465 -5.207 256 HE3 LYS 108 HE3 LYS 108 1.617 18.581 -5.549 257 HZ1 LYS 108 HZ1 LYS 108 1.142 20.474 -3.329 258 HZ2 LYS 108 HZ2 LYS 108 1.688 18.913 -3.299 259 HZ3 LYS 108 HZ3 LYS 108 2.670 20.147 -3.824 260 H ALA 109 H ALA 109 2.777 21.912 -11.377 261 HA ALA 109 HA ALA 109 2.659 24.761 -11.547 262 HB1 ALA 109 HB1 ALA 109 4.337 24.472 -13.292 263 HB2 ALA 109 HB2 ALA 109 4.683 23.288 -12.001 264 HB3 ALA 109 HB3 ALA 109 3.902 22.783 -13.523 265 H LYS 110 H LYS 110 1.730 22.139 -13.742 266 HA LYS 110 HA LYS 110 0.883 23.751 -15.783 267 HB2 LYS 110 HB2 LYS 110 0.678 20.814 -15.178 268 HB3 LYS 110 HB3 LYS 110 -0.021 21.460 -16.677 269 HG2 LYS 110 HG2 LYS 110 2.186 22.400 -17.305 270 HG3 LYS 110 HG3 LYS 110 2.891 21.781 -15.810 271 HD2 LYS 110 HD2 LYS 110 3.526 20.207 -17.451 272 HD3 LYS 110 HD3 LYS 110 2.214 19.447 -16.557 273 HE2 LYS 110 HE2 LYS 110 1.705 18.982 -18.810 274 HE3 LYS 110 HE3 LYS 110 0.629 20.325 -18.398 275 HZ1 LYS 110 HZ1 LYS 110 3.215 20.584 -19.877 276 HZ2 LYS 110 HZ2 LYS 110 1.736 20.656 -20.555 277 HZ3 LYS 110 HZ3 LYS 110 2.210 21.830 -19.531 278 H TRP 111 H TRP 111 -1.031 22.213 -13.243 279 HA TRP 111 HA TRP 111 -3.516 23.552 -14.269 280 HB2 TRP 111 HB2 TRP 111 -3.332 20.733 -13.181 281 HB3 TRP 111 HB3 TRP 111 -4.804 21.572 -13.658 282 HD1 TRP 111 HD1 TRP 111 -5.117 22.064 -16.319 283 HE1 TRP 111 HE1 TRP 111 -4.212 20.867 -18.406 284 HE3 TRP 111 HE3 TRP 111 -1.405 19.355 -14.129 285 HZ2 TRP 111 HZ2 TRP 111 -2.094 18.997 -19.043 286 HZ3 TRP 111 HZ3 TRP 111 0.141 17.957 -15.512 287 HH2 TRP 111 HH2 TRP 111 -0.235 17.716 -17.946 288 H GLY 112 H GLY 112 -2.172 21.967 -11.285 289 HA2 GLY 112 HA2 GLY 112 -1.979 23.922 -9.566 290 HA3 GLY 112 HA3 GLY 112 -3.730 23.942 -9.629 291 HA PRO 113 HA PRO 113 -1.981 20.695 -6.533 292 HB2 PRO 113 HB2 PRO 113 -2.266 22.090 -4.141 293 HB3 PRO 113 HB3 PRO 113 -0.761 21.950 -5.093 294 HG2 PRO 113 HG2 PRO 113 -2.769 24.202 -5.086 295 HG3 PRO 113 HG3 PRO 113 -0.974 24.295 -5.063 296 HD2 PRO 113 HD2 PRO 113 -2.403 24.665 -7.333 297 HD3 PRO 113 HD3 PRO 113 -0.829 23.808 -7.353 298 H GLU 114 H GLU 114 -4.731 22.968 -6.294 299 HA GLU 114 HA GLU 114 -6.447 21.380 -4.663 300 HB2 GLU 114 HB2 GLU 114 -7.327 23.154 -6.960 301 HB3 GLU 114 HB3 GLU 114 -8.186 22.734 -5.453 302 HG2 GLU 114 HG2 GLU 114 -6.356 24.002 -4.207 303 HG3 GLU 114 HG3 GLU 114 -5.754 24.503 -5.800 304 H ALA 115 H ALA 115 -6.067 21.662 -8.135 305 HA ALA 115 HA ALA 115 -7.987 19.801 -9.049 306 HB1 ALA 115 HB1 ALA 115 -6.845 19.964 -11.146 307 HB2 ALA 115 HB2 ALA 115 -6.622 21.551 -10.360 308 HB3 ALA 115 HB3 ALA 115 -5.295 20.339 -10.387 309 H VAL 116 H VAL 116 -4.497 19.478 -8.595 310 HA VAL 116 HA VAL 116 -4.150 16.862 -9.214 311 HB VAL 116 HB VAL 116 -2.653 18.818 -7.484 312 HG11 VAL 116 HG11 VAL 116 -0.671 17.424 -7.497 313 HG12 VAL 116 HG12 VAL 116 -1.948 16.659 -6.561 314 HG13 VAL 116 HG13 VAL 116 -1.597 16.066 -8.200 315 HG21 VAL 116 HG21 VAL 116 -2.867 19.066 -10.014 316 HG22 VAL 116 HG22 VAL 116 -1.197 18.921 -9.425 317 HG23 VAL 116 HG23 VAL 116 -2.026 17.517 -10.153 318 H GLU 117 H GLU 117 -4.742 18.187 -5.923 319 HA GLU 117 HA GLU 117 -4.792 15.612 -4.581 320 HB2 GLU 117 HB2 GLU 117 -5.861 18.396 -3.947 321 HB3 GLU 117 HB3 GLU 117 -6.169 17.036 -2.875 322 HG2 GLU 117 HG2 GLU 117 -3.323 17.671 -3.710 323 HG3 GLU 117 HG3 GLU 117 -4.132 18.605 -2.453 324 H SER 118 H SER 118 -7.273 17.543 -6.260 325 HA SER 118 HA SER 118 -9.537 16.012 -5.283 326 HB2 SER 118 HB2 SER 118 -9.331 17.717 -7.795 327 HB3 SER 118 HB3 SER 118 -10.819 17.054 -7.097 328 HG SER 118 HG SER 118 -9.053 18.973 -5.988 329 H TRP 119 H TRP 119 -7.363 15.619 -8.047 330 HA TRP 119 HA TRP 119 -8.820 13.413 -9.247 331 HB2 TRP 119 HB2 TRP 119 -5.866 14.026 -9.482 332 HB3 TRP 119 HB3 TRP 119 -6.882 13.095 -10.579 333 HD1 TRP 119 HD1 TRP 119 -9.174 15.533 -10.679 334 HE1 TRP 119 HE1 TRP 119 -8.681 17.520 -12.227 335 HE3 TRP 119 HE3 TRP 119 -4.135 14.859 -11.271 336 HZ2 TRP 119 HZ2 TRP 119 -6.381 18.687 -13.533 337 HZ3 TRP 119 HZ3 TRP 119 -2.821 16.399 -12.725 338 HH2 TRP 119 HH2 TRP 119 -3.921 18.316 -13.839 339 H ALA 120 H ALA 120 -7.002 13.469 -6.278 340 HA ALA 120 HA ALA 120 -5.555 11.083 -6.668 341 HB1 ALA 120 HB1 ALA 120 -4.836 11.311 -4.433 342 HB2 ALA 120 HB2 ALA 120 -5.056 12.974 -5.022 343 HB3 ALA 120 HB3 ALA 120 -6.287 12.245 -3.970 344 H THR 121 H THR 121 -5.571 9.446 -5.224 345 HA THR 121 HA THR 121 -8.100 7.989 -4.426 346 HB THR 121 HB THR 121 -5.752 6.949 -6.038 347 HG1 THR 121 HG1 THR 121 -8.449 7.379 -6.878 348 HG21 THR 121 HG21 THR 121 -7.385 4.961 -6.322 349 HG22 THR 121 HG22 THR 121 -6.688 5.161 -4.707 350 HG23 THR 121 HG23 THR 121 -8.345 5.735 -5.022 351 H LEU 122 H LEU 122 -7.778 6.708 -2.623 352 HA LEU 122 HA LEU 122 -5.178 7.103 -1.185 353 HB2 LEU 122 HB2 LEU 122 -7.450 8.025 -0.372 354 HB3 LEU 122 HB3 LEU 122 -7.823 6.368 0.083 355 HG LEU 122 HG LEU 122 -5.420 8.004 1.028 356 HD11 LEU 122 HD11 LEU 122 -6.603 8.130 3.179 357 HD12 LEU 122 HD12 LEU 122 -7.608 8.812 1.893 358 HD13 LEU 122 HD13 LEU 122 -7.957 7.184 2.513 359 HD21 LEU 122 HD21 LEU 122 -5.301 6.176 2.829 360 HD22 LEU 122 HD22 LEU 122 -6.314 5.199 1.754 361 HD23 LEU 122 HD23 LEU 122 -4.708 5.778 1.224 362 H LEU 123 H LEU 123 -3.907 5.491 -0.999 363 HA LEU 123 HA LEU 123 -4.841 2.671 -1.330 364 HB2 LEU 123 HB2 LEU 123 -2.263 4.032 -2.231 365 HB3 LEU 123 HB3 LEU 123 -2.628 2.309 -2.400 366 HG LEU 123 HG LEU 123 -4.076 4.649 -3.738 367 HD11 LEU 123 HD11 LEU 123 -1.868 4.187 -4.640 368 HD12 LEU 123 HD12 LEU 123 -2.227 2.454 -4.779 369 HD13 LEU 123 HD13 LEU 123 -3.097 3.614 -5.795 370 HD21 LEU 123 HD21 LEU 123 -5.690 2.800 -3.357 371 HD22 LEU 123 HD22 LEU 123 -5.247 2.878 -5.068 372 HD23 LEU 123 HD23 LEU 123 -4.530 1.632 -4.011 373 H GLY 124 H GLY 124 -4.581 1.437 0.297 374 HA2 GLY 124 HA2 GLY 124 -3.342 2.267 2.753 375 HA3 GLY 124 HA3 GLY 124 -4.040 0.681 2.412 376 H HIS 125 H HIS 125 -1.990 0.492 0.084 377 HA HIS 125 HA HIS 125 0.606 0.252 1.402 378 HB2 HIS 125 HB2 HIS 125 0.846 -2.164 0.855 379 HB3 HIS 125 HB3 HIS 125 -0.296 -1.826 2.147 380 HD1 HIS 125 HD1 HIS 125 -1.263 -1.680 -1.573 381 HD2 HIS 125 HD2 HIS 125 -1.784 -3.987 1.916 382 HE1 HIS 125 HE1 HIS 125 -3.076 -3.471 -2.139 383 HE2 HIS 125 HE2 HIS 125 -3.374 -4.865 0.013 384 H5' DC 1 H5' DC 1 -4.392 29.599 7.213 385 H5'' DC 1 H5'' DC 1 -2.939 30.358 6.568 386 H4' DC 1 H4' DC 1 -2.765 30.289 8.951 387 H3' DC 1 H3' DC 1 -0.865 29.096 7.281 388 H2' DC 1 H2' DC 1 -1.123 26.938 7.843 389 H2'' DC 1 H2'' DC 1 -0.194 27.305 9.284 390 H1' DC 1 H1' DC 1 -2.021 27.580 10.654 391 H41 DC 1 H41 DC 1 -4.948 22.013 8.574 392 H42 DC 1 H42 DC 1 -4.919 22.015 10.343 393 H5 DC 1 H5 DC 1 -4.000 23.883 7.259 394 H6 DC 1 H6 DC 1 -2.970 26.066 7.466 395 HO5' DC 1 H5T DC 1 -3.574 28.476 5.337 396 H5' DG 2 H5' DG 2 0.237 29.314 11.934 397 H5'' DG 2 H5'' DG 2 1.827 30.067 12.041 398 H4' DG 2 H4' DG 2 1.771 28.547 13.795 399 H3' DG 2 H3' DG 2 3.691 28.161 11.784 400 H2' DG 2 H2' DG 2 2.655 26.285 10.872 401 H2'' DG 2 H2'' DG 2 3.659 25.443 12.065 402 H1' DG 2 H1' DG 2 1.910 25.373 13.681 403 H8 DG 2 H8 DG 2 0.775 25.544 10.030 404 H1 DG 2 H1 DG 2 -1.527 20.521 13.349 405 H21 DG 2 H21 DG 2 0.296 21.907 15.912 406 H22 DG 2 H22 DG 2 -0.753 20.589 15.374 407 H5' DC 3 H5' DC 3 3.992 25.632 15.773 408 H5'' DC 3 H5'' DC 3 5.672 25.564 16.308 409 H4' DC 3 H4' DC 3 4.568 23.517 16.901 410 H3' DC 3 H3' DC 3 6.830 23.493 15.059 411 H2' DC 3 H2' DC 3 6.023 22.010 13.566 412 H2'' DC 3 H2'' DC 3 5.944 20.780 14.837 413 H1' DC 3 H1' DC 3 3.744 21.092 15.285 414 H41 DC 3 H41 DC 3 1.666 21.768 9.035 415 H42 DC 3 H42 DC 3 0.958 20.317 9.757 416 H5 DC 3 H5 DC 3 3.332 23.109 10.253 417 H6 DC 3 H6 DC 3 4.424 23.361 12.471 418 H5' DA 4 H5' DA 4 5.989 19.703 17.362 419 H5'' DA 4 H5'' DA 4 7.416 18.958 18.089 420 H4' DA 4 H4' DA 4 6.089 17.225 17.210 421 H3' DA 4 H3' DA 4 8.715 17.654 16.089 422 H2' DA 4 H2' DA 4 7.950 17.977 13.964 423 H2'' DA 4 H2'' DA 4 7.887 16.215 13.884 424 H1' DA 4 H1' DA 4 5.584 16.136 14.543 425 H8 DA 4 H8 DA 4 6.674 19.407 12.886 426 H61 DA 4 H61 DA 4 2.291 17.991 8.624 427 H62 DA 4 H62 DA 4 3.431 19.235 9.110 428 H2 DA 4 H2 DA 4 2.469 14.745 11.504 429 H5' DT 5 H5' DT 5 6.889 13.364 15.567 430 H5'' DT 5 H5'' DT 5 8.122 12.116 15.782 431 H4' DT 5 H4' DT 5 6.697 11.519 13.931 432 H3' DT 5 H3' DT 5 9.535 11.963 13.507 433 H2' DT 5 H2' DT 5 9.291 13.388 11.768 434 H2'' DT 5 H2'' DT 5 8.802 11.987 10.806 435 H1' DT 5 H1' DT 5 6.502 12.279 11.237 436 H3 DT 5 H3 DT 5 5.040 15.494 8.415 437 H71 DT 5 H71 DT 5 8.071 18.578 10.636 438 H72 DT 5 H72 DT 5 9.338 17.435 11.158 439 H73 DT 5 H73 DT 5 9.128 17.827 9.439 440 H6 DT 5 H6 DT 5 8.571 15.361 11.705 441 H5' DA 6 H5' DA 6 7.177 8.893 10.678 442 H5'' DA 6 H5'' DA 6 8.235 7.486 10.570 443 H4' DA 6 H4' DA 6 7.020 7.653 8.551 444 H3' DA 6 H3' DA 6 9.816 7.567 8.488 445 H2' DA 6 H2' DA 6 10.207 9.739 7.890 446 H2'' DA 6 H2'' DA 6 9.912 9.172 6.260 447 H1' DA 6 H1' DA 6 7.727 9.939 6.178 448 H8 DA 6 H8 DA 6 9.953 11.616 8.827 449 H61 DA 6 H61 DA 6 8.007 16.906 6.119 450 H62 DA 6 H62 DA 6 9.170 16.247 7.262 451 H2 DA 6 H2 DA 6 5.733 13.629 4.398 452 H5' DT 7 H5' DT 7 7.097 7.651 5.014 453 H5'' DT 7 H5'' DT 7 7.404 6.536 3.683 454 H4' DT 7 H4' DT 7 6.368 8.608 2.924 455 H3' DT 7 H3' DT 7 8.720 7.521 1.778 456 H2' DT 7 H2' DT 7 10.080 9.289 2.492 457 H2'' DT 7 H2'' DT 7 9.503 10.035 0.985 458 H1' DT 7 H1' DT 7 7.648 11.084 2.063 459 H3 DT 7 H3 DT 7 9.636 14.928 3.346 460 H71 DT 7 H71 DT 7 13.054 12.244 5.409 461 H72 DT 7 H72 DT 7 11.925 12.366 6.762 462 H73 DT 7 H73 DT 7 12.130 10.816 5.918 463 H6 DT 7 H6 DT 7 10.397 10.302 4.424 464 H5' DA 8 H5' DA 8 7.391 10.726 -1.435 465 H5'' DA 8 H5'' DA 8 7.500 9.862 -2.969 466 H4' DA 8 H4' DA 8 8.729 11.800 -3.339 467 H3' DA 8 H3' DA 8 10.429 9.415 -2.984 468 H2' DA 8 H2' DA 8 11.833 10.423 -1.525 469 H2'' DA 8 H2'' DA 8 12.410 11.383 -2.914 470 H1' DA 8 H1' DA 8 10.965 13.169 -2.478 471 H8 DA 8 H8 DA 8 11.548 11.025 0.773 472 H61 DA 8 H61 DA 8 13.256 16.644 3.038 473 H62 DA 8 H62 DA 8 13.008 14.981 3.571 474 H2 DA 8 H2 DA 8 12.170 17.167 -1.008 475 H5' DT 9 H5' DT 9 11.010 12.884 -6.031 476 H5'' DT 9 H5'' DT 9 11.718 12.223 -7.516 477 H4' DT 9 H4' DT 9 12.297 14.541 -7.369 478 H3' DT 9 H3' DT 9 14.270 12.531 -7.508 479 H2' DT 9 H2' DT 9 15.227 12.850 -5.489 480 H2'' DT 9 H2'' DT 9 16.043 14.228 -6.213 481 H1' DT 9 H1' DT 9 14.510 15.796 -5.461 482 H3 DT 9 H3 DT 9 15.328 16.449 -1.071 483 H71 DT 9 H71 DT 9 14.277 11.803 -0.296 484 H72 DT 9 H72 DT 9 14.632 11.092 -1.889 485 H73 DT 9 H73 DT 9 15.948 11.657 -0.839 486 H6 DT 9 H6 DT 9 14.232 12.527 -3.667 487 H5' DG 10 H5' DG 10 15.131 17.047 -7.979 488 H5'' DG 10 H5'' DG 10 16.029 17.284 -9.475 489 H4' DG 10 H4' DG 10 16.590 19.077 -8.057 490 H3' DG 10 H3' DG 10 18.583 17.412 -9.073 491 H2' DG 10 H2' DG 10 18.975 16.278 -7.085 492 H2'' DG 10 H2'' DG 10 20.137 17.585 -6.828 493 H1' DG 10 H1' DG 10 18.620 18.870 -5.537 494 H8 DG 10 H8 DG 10 17.942 15.109 -5.562 495 H1 DG 10 H1 DG 10 19.042 17.641 0.260 496 H21 DG 10 H21 DG 10 19.474 20.532 -1.538 497 H22 DG 10 H22 DG 10 19.567 19.719 0.026 498 H5' DC 11 H5' DC 11 19.813 21.390 -6.762 499 H5'' DC 11 H5'' DC 11 20.924 22.234 -7.839 500 H4' DC 11 H4' DC 11 21.411 22.892 -5.619 501 H3' DC 11 H3' DC 11 23.382 21.811 -7.273 502 H2' DC 11 H2' DC 11 23.625 19.778 -6.220 503 H2'' DC 11 H2'' DC 11 24.701 20.656 -5.135 504 H1' DC 11 H1' DC 11 23.090 21.003 -3.513 505 H41 DC 11 H41 DC 11 21.169 14.686 -3.197 506 H42 DC 11 H42 DC 11 21.456 15.290 -1.561 507 H5 DC 11 H5 DC 11 21.547 16.068 -5.147 508 H6 DC 11 H6 DC 11 22.110 18.383 -5.868 509 H5' DG 12 H5' DG 12 25.259 23.231 -3.284 510 H5'' DG 12 H5'' DG 12 26.868 23.939 -3.470 511 H4' DG 12 H4' DG 12 26.950 22.328 -1.709 512 H3' DG 12 H3' DG 12 28.320 21.436 -4.233 513 HO3' DG 12 H3T DG 12 30.157 21.766 -2.860 514 H2' DG 12 H2' DG 12 28.363 19.281 -3.599 515 H2'' DG 12 H2'' DG 12 28.902 19.684 -1.948 516 H1' DG 12 H1' DG 12 26.773 19.728 -1.102 517 H8 DG 12 H8 DG 12 26.135 18.700 -4.748 518 H1 DG 12 H1 DG 12 24.604 14.332 -0.249 519 H21 DG 12 H21 DG 12 25.933 16.709 1.871 520 H22 DG 12 H22 DG 12 25.316 15.066 1.709 521 H5' DC 13 H5' DC 13 24.905 7.642 4.778 522 H5'' DC 13 H5'' DC 13 24.215 7.733 6.393 523 H4' DC 13 H4' DC 13 25.626 9.638 6.013 524 H3' DC 13 H3' DC 13 22.977 9.826 6.839 525 H2' DC 13 H2' DC 13 22.114 10.705 4.871 526 H2'' DC 13 H2'' DC 13 22.613 12.251 5.591 527 H1' DC 13 H1' DC 13 24.695 12.249 4.510 528 H41 DC 13 H41 DC 13 22.095 11.703 -1.547 529 H42 DC 13 H42 DC 13 23.304 12.992 -1.564 530 H5 DC 13 H5 DC 13 21.569 10.441 0.485 531 H6 DC 13 H6 DC 13 22.208 10.141 2.817 532 HO5' DC 13 H5T DC 13 22.652 7.061 4.779 533 H5' DG 14 H5' DG 14 25.610 14.027 7.142 534 H5'' DG 14 H5'' DG 14 25.304 14.439 8.827 535 H4' DG 14 H4' DG 14 25.649 16.475 7.784 536 H3' DG 14 H3' DG 14 23.186 16.051 8.992 537 H2' DG 14 H2' DG 14 21.960 15.705 7.034 538 H2'' DG 14 H2'' DG 14 21.782 17.440 7.083 539 H1' DG 14 H1' DG 14 23.487 17.836 5.554 540 H8 DG 14 H8 DG 14 22.007 14.318 5.411 541 H1 DG 14 H1 DG 14 22.312 17.398 -0.238 542 H21 DG 14 H21 DG 14 23.780 19.860 1.644 543 H22 DG 14 H22 DG 14 23.184 19.347 0.060 544 H5' DC 15 H5' DC 15 23.741 20.137 7.016 545 H5'' DC 15 H5'' DC 15 23.028 21.531 7.831 546 H4' DC 15 H4' DC 15 22.621 21.601 5.439 547 H3' DC 15 H3' DC 15 20.254 21.277 7.231 548 H2' DC 15 H2' DC 15 18.976 20.352 5.637 549 H2'' DC 15 H2'' DC 15 19.343 21.651 4.483 550 H1' DC 15 H1' DC 15 21.085 20.568 3.515 551 H41 DC 15 H41 DC 15 18.339 14.583 3.151 552 H42 DC 15 H42 DC 15 18.397 15.336 1.549 553 H5 DC 15 H5 DC 15 18.999 15.858 5.162 554 H6 DC 15 H6 DC 15 19.992 18.006 5.894 555 H5' DA 16 H5' DA 16 20.448 23.777 3.584 556 H5'' DA 16 H5'' DA 16 19.877 25.432 3.769 557 H4' DA 16 H4' DA 16 19.351 24.757 1.578 558 H3' DA 16 H3' DA 16 17.267 25.511 3.354 559 H2' DA 16 H2' DA 16 16.410 23.377 3.528 560 H2'' DA 16 H2'' DA 16 15.461 23.878 2.129 561 H1' DA 16 H1' DA 16 17.027 22.935 0.569 562 H8 DA 16 H8 DA 16 17.082 21.347 4.036 563 H61 DA 16 H61 DA 16 15.588 16.080 0.995 564 H62 DA 16 H62 DA 16 16.100 16.701 2.557 565 H2 DA 16 H2 DA 16 15.394 19.337 -1.839 566 H5' DT 17 H5' DT 17 15.907 24.907 -1.002 567 H5'' DT 17 H5'' DT 17 14.860 26.209 -1.565 568 H4' DT 17 H4' DT 17 14.006 24.149 -2.392 569 H3' DT 17 H3' DT 17 12.383 25.758 -0.628 570 H2' DT 17 H2' DT 17 12.065 24.081 0.897 571 H2'' DT 17 H2'' DT 17 10.856 23.454 -0.233 572 H1' DT 17 H1' DT 17 12.433 22.053 -1.352 573 H3 DT 17 H3 DT 17 12.785 18.253 1.084 574 H71 DT 17 H71 DT 17 13.611 22.477 4.404 575 H72 DT 17 H72 DT 17 12.656 21.094 4.993 576 H73 DT 17 H73 DT 17 14.400 20.916 4.746 577 H6 DT 17 H6 DT 17 13.268 22.906 2.199 578 H5' DA 18 H5' DA 18 10.468 22.493 -2.952 579 H5'' DA 18 H5'' DA 18 9.133 23.070 -3.951 580 H4' DA 18 H4' DA 18 8.438 20.976 -3.276 581 H3' DA 18 H3' DA 18 7.009 23.137 -1.898 582 H2' DA 18 H2' DA 18 7.466 22.331 0.156 583 H2'' DA 18 H2'' DA 18 6.176 21.162 -0.196 584 H1' DA 18 H1' DA 18 7.696 19.529 -0.957 585 H8 DA 18 H8 DA 18 9.032 21.936 1.727 586 H61 DA 18 H61 DA 18 10.709 16.511 4.481 587 H62 DA 18 H62 DA 18 10.612 18.241 4.817 588 H2 DA 18 H2 DA 18 9.377 15.633 0.540 589 H5' DT 19 H5' DT 19 5.717 18.841 -2.410 590 H5'' DT 19 H5'' DT 19 4.179 18.842 -3.282 591 H4' DT 19 H4' DT 19 3.861 17.053 -1.805 592 H3' DT 19 H3' DT 19 2.353 19.403 -1.131 593 H2' DT 19 H2' DT 19 3.693 19.941 0.658 594 H2'' DT 19 H2'' DT 19 2.497 18.915 1.496 595 H1' DT 19 H1' DT 19 3.823 16.907 1.084 596 H3 DT 19 H3 DT 19 6.695 16.425 4.483 597 H71 DT 19 H71 DT 19 6.480 21.709 3.109 598 H72 DT 19 H72 DT 19 6.000 21.298 4.775 599 H73 DT 19 H73 DT 19 7.681 21.119 4.281 600 H6 DT 19 H6 DT 19 5.396 20.163 1.740 601 H5' DA 20 H5' DA 20 -1.500 15.694 -0.204 602 H5'' DA 20 H5'' DA 20 -0.170 16.413 0.692 603 H4' DA 20 H4' DA 20 -0.145 13.482 -0.111 604 H3' DA 20 H3' DA 20 -2.041 14.664 1.526 605 H2' DA 20 H2' DA 20 -0.593 15.677 2.982 606 H2'' DA 20 H2'' DA 20 -0.730 14.150 3.867 607 H1' DA 20 H1' DA 20 1.280 13.281 3.019 608 H8 DA 20 H8 DA 20 1.526 17.049 2.118 609 H61 DA 20 H61 DA 20 4.921 17.578 7.295 610 H62 DA 20 H62 DA 20 4.187 18.491 5.973 611 H2 DA 20 H2 DA 20 3.698 13.447 6.978 612 H5' DT 21 H5' DT 21 -0.384 11.368 3.977 613 H5'' DT 21 H5'' DT 21 -1.671 10.168 4.060 614 H4' DT 21 H4' DT 21 -0.611 9.961 6.105 615 H3' DT 21 H3' DT 21 -3.244 10.812 6.152 616 H2' DT 21 H2' DT 21 -2.868 13.033 6.660 617 H2'' DT 21 H2'' DT 21 -2.880 12.419 8.328 618 H1' DT 21 H1' DT 21 -0.584 12.222 8.465 619 H3 DT 21 H3 DT 21 1.679 16.076 8.846 620 H71 DT 21 H71 DT 21 -0.339 17.511 4.678 621 H72 DT 21 H72 DT 21 -1.911 16.676 4.773 622 H73 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