NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
513408 | 2l2i | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 PRO 1 HT1 PRO 1 -0.343 -19.382 4.079 2 H3 PRO 1 HT2 PRO 1 -1.406 -20.610 4.336 3 HA PRO 1 HA PRO 1 -2.392 -19.097 5.396 4 HB2 PRO 1 HB2 PRO 1 -1.251 -19.378 7.894 5 HB3 PRO 1 HB1 PRO 1 -2.376 -20.528 7.159 6 HG2 PRO 1 HG2 PRO 1 0.391 -20.929 7.719 7 HG3 PRO 1 HG1 PRO 1 -0.716 -22.036 6.893 8 HD2 PRO 1 HD2 PRO 1 1.235 -20.093 5.738 9 HD3 PRO 1 HD1 PRO 1 0.694 -21.661 5.104 10 H SER 2 HN SER 2 -0.203 -17.783 4.077 11 HA SER 2 HA SER 2 -0.226 -15.304 5.392 12 HB2 SER 2 HB2 SER 2 2.286 -15.206 5.866 13 HB3 SER 2 HB1 SER 2 1.306 -16.138 6.998 14 HG SER 2 HG SER 2 2.749 -17.233 4.812 15 H HIS 3 HN HIS 3 1.109 -13.675 4.287 16 HA HIS 3 HA HIS 3 1.974 -12.675 2.439 17 HB2 HIS 3 HB2 HIS 3 2.594 -15.416 1.352 18 HB3 HIS 3 HB1 HIS 3 3.367 -13.892 0.927 19 HD1 HIS 3 HD1 HIS 3 5.357 -15.837 1.679 20 HD2 HIS 3 HD2 HIS 3 3.291 -13.724 4.600 21 HE1 HIS 3 HE1 HIS 3 6.792 -15.961 3.740 22 HE2 HIS 3 HE2 HIS 3 5.481 -14.750 5.518 23 H SER 4 HN SER 4 0.575 -15.678 1.212 24 HA SER 4 HA SER 4 -0.693 -14.310 -0.958 25 HB2 SER 4 HB2 SER 4 -1.653 -16.457 -1.563 26 HB3 SER 4 HB1 SER 4 0.056 -16.665 -1.168 27 HG SER 4 HG SER 4 -0.496 -17.585 0.755 28 H GLY 5 HN GLY 5 -2.663 -13.530 -1.108 29 HA2 GLY 5 HA2 GLY 5 -4.815 -14.332 0.625 30 HA3 GLY 5 HA1 GLY 5 -4.195 -12.722 0.981 31 H ALA 6 HN ALA 6 -6.675 -12.548 0.303 32 HA ALA 6 HA ALA 6 -6.753 -12.126 -2.604 33 HB1 ALA 6 HB1 ALA 6 -8.978 -12.539 -0.621 34 HB2 ALA 6 HB2 ALA 6 -8.488 -13.601 -1.943 35 HB3 ALA 6 HB3 ALA 6 -9.239 -12.043 -2.294 36 H ALA 7 HN ALA 7 -7.253 -10.194 -3.473 37 HA ALA 7 HA ALA 7 -8.059 -7.972 -1.803 38 HB1 ALA 7 HB1 ALA 7 -6.184 -6.631 -2.058 39 HB2 ALA 7 HB2 ALA 7 -5.565 -7.583 -3.407 40 HB3 ALA 7 HB3 ALA 7 -5.484 -8.223 -1.765 41 H ILE 8 HN ILE 8 -8.539 -6.015 -3.091 42 HA ILE 8 HA ILE 8 -9.024 -6.667 -5.918 43 HB ILE 8 HB ILE 8 -10.981 -5.322 -4.057 44 HG12 ILE 8 HG12 ILE 8 -11.683 -7.735 -5.621 45 HG13 ILE 8 HG11 ILE 8 -10.546 -7.976 -4.297 46 HG21 ILE 8 HG21 ILE 8 -12.375 -5.746 -6.303 47 HG22 ILE 8 HG22 ILE 8 -10.774 -5.498 -6.999 48 HG23 ILE 8 HG23 ILE 8 -11.500 -4.247 -5.990 49 HD11 ILE 8 HD11 ILE 8 -12.489 -8.313 -3.185 50 HD12 ILE 8 HD12 ILE 8 -13.408 -7.234 -4.234 51 HD13 ILE 8 HD13 ILE 8 -12.357 -6.566 -2.984 52 H PHE 9 HN PHE 9 -8.906 -5.017 -7.372 53 HA PHE 9 HA PHE 9 -8.285 -2.328 -6.407 54 HB2 PHE 9 HB2 PHE 9 -6.111 -3.421 -6.678 55 HB3 PHE 9 HB1 PHE 9 -6.531 -3.878 -8.326 56 HD1 PHE 9 HD2 PHE 9 -6.798 -2.124 -10.052 57 HD2 PHE 9 HD1 PHE 9 -5.280 -1.270 -6.171 58 HE1 PHE 9 HE2 PHE 9 -5.869 -0.000 -10.887 59 HE2 PHE 9 HE1 PHE 9 -4.351 0.855 -6.993 60 HZ PHE 9 HZ PHE 9 -4.644 1.492 -9.356 61 H GLU 10 HN GLU 10 -9.075 -0.737 -7.687 62 HA GLU 10 HA GLU 10 -10.500 0.198 -9.194 63 HB2 GLU 10 HB2 GLU 10 -8.333 -1.107 -10.658 64 HB3 GLU 10 HB1 GLU 10 -9.764 -0.827 -11.640 65 HG2 GLU 10 HG2 GLU 10 -9.724 1.515 -11.128 66 HG3 GLU 10 HG1 GLU 10 -8.390 1.281 -9.999 67 H LYS 11 HN LYS 11 -11.737 -1.879 -7.958 68 HA LYS 11 HA LYS 11 -13.600 -3.164 -8.102 69 HB2 LYS 11 HB2 LYS 11 -13.924 -2.397 -10.985 70 HB3 LYS 11 HB1 LYS 11 -15.165 -2.722 -9.784 71 HG2 LYS 11 HG2 LYS 11 -13.333 -0.357 -9.554 72 HG3 LYS 11 HG1 LYS 11 -14.815 -0.304 -10.510 73 HD2 LYS 11 HD2 LYS 11 -16.176 -0.601 -8.637 74 HD3 LYS 11 HD1 LYS 11 -14.850 -1.233 -7.659 75 HE2 LYS 11 HE2 LYS 11 -15.261 0.955 -6.868 76 HE3 LYS 11 HE1 LYS 11 -13.795 1.056 -7.842 77 HZ1 LYS 11 HZ1 LYS 11 -14.876 2.177 -9.514 78 HZ2 LYS 11 HZ2 LYS 11 -15.658 2.800 -8.150 79 HZ3 LYS 11 HZ3 LYS 11 -16.408 1.602 -9.080 80 H VAL 12 HN VAL 12 -10.844 -4.028 -9.257 81 HA VAL 12 HA VAL 12 -11.855 -6.414 -10.668 82 HB VAL 12 HB VAL 12 -9.017 -5.413 -10.840 83 HG11 VAL 12 HG11 VAL 12 -9.556 -6.708 -13.154 84 HG12 VAL 12 HG12 VAL 12 -10.599 -7.585 -12.035 85 HG13 VAL 12 HG13 VAL 12 -8.867 -7.478 -11.725 86 HG21 VAL 12 HG21 VAL 12 -11.429 -4.461 -12.273 87 HG22 VAL 12 HG22 VAL 12 -9.973 -4.719 -13.234 88 HG23 VAL 12 HG23 VAL 12 -9.941 -3.607 -11.865 89 H SER 13 HN SER 13 -11.808 -8.177 -9.421 90 HA SER 13 HA SER 13 -10.173 -8.187 -7.043 91 HB2 SER 13 HB2 SER 13 -11.613 -10.666 -7.655 92 HB3 SER 13 HB1 SER 13 -11.655 -9.660 -6.208 93 HG SER 13 HG SER 13 -13.535 -9.064 -6.920 94 H GLY 14 HN GLY 14 -8.844 -9.945 -6.422 95 HA2 GLY 14 HA2 GLY 14 -7.849 -11.883 -8.228 96 HA3 GLY 14 HA1 GLY 14 -6.792 -10.477 -8.214 97 H ILE 15 HN ILE 15 -5.443 -12.492 -7.421 98 HA ILE 15 HA ILE 15 -5.690 -12.664 -4.491 99 HB ILE 15 HB ILE 15 -3.900 -14.453 -6.112 100 HG12 ILE 15 HG12 ILE 15 -6.827 -14.948 -5.513 101 HG13 ILE 15 HG11 ILE 15 -6.158 -14.605 -7.105 102 HG21 ILE 15 HG21 ILE 15 -3.464 -14.673 -3.825 103 HG22 ILE 15 HG22 ILE 15 -4.563 -16.008 -4.173 104 HG23 ILE 15 HG23 ILE 15 -5.173 -14.547 -3.396 105 HD11 ILE 15 HD11 ILE 15 -5.520 -16.716 -7.405 106 HD12 ILE 15 HD12 ILE 15 -6.592 -17.087 -6.055 107 HD13 ILE 15 HD13 ILE 15 -4.867 -16.848 -5.772 108 H ILE 16 HN ILE 16 -4.135 -11.924 -3.226 109 HA ILE 16 HA ILE 16 -1.875 -10.557 -4.493 110 HB ILE 16 HB ILE 16 -3.347 -9.124 -3.226 111 HG12 ILE 16 HG12 ILE 16 -1.032 -9.388 -1.359 112 HG13 ILE 16 HG11 ILE 16 -0.718 -9.006 -3.051 113 HG21 ILE 16 HG21 ILE 16 -4.392 -10.673 -1.749 114 HG22 ILE 16 HG22 ILE 16 -3.609 -9.430 -0.771 115 HG23 ILE 16 HG23 ILE 16 -2.862 -11.017 -0.939 116 HD11 ILE 16 HD11 ILE 16 -2.673 -7.237 -2.515 117 HD12 ILE 16 HD12 ILE 16 -0.950 -6.894 -2.335 118 HD13 ILE 16 HD13 ILE 16 -1.907 -7.363 -0.928 119 H ALA 17 HN ALA 17 0.107 -11.426 -4.266 120 HA ALA 17 HA ALA 17 0.642 -13.097 -1.896 121 HB1 ALA 17 HB1 ALA 17 1.699 -13.760 -4.626 122 HB2 ALA 17 HB2 ALA 17 0.177 -14.407 -4.009 123 HB3 ALA 17 HB3 ALA 17 1.690 -14.768 -3.178 124 H ILE 18 HN ILE 18 2.559 -12.845 -0.913 125 HA ILE 18 HA ILE 18 4.375 -10.784 -1.946 126 HB ILE 18 HB ILE 18 4.113 -12.050 0.784 127 HG12 ILE 18 HG12 ILE 18 4.007 -9.122 0.367 128 HG13 ILE 18 HG11 ILE 18 2.660 -10.042 -0.298 129 HG21 ILE 18 HG21 ILE 18 6.310 -10.447 -0.398 130 HG22 ILE 18 HG22 ILE 18 6.361 -11.704 0.839 131 HG23 ILE 18 HG23 ILE 18 5.829 -10.075 1.258 132 HD11 ILE 18 HD11 ILE 18 2.016 -10.824 1.803 133 HD12 ILE 18 HD12 ILE 18 2.419 -9.127 2.058 134 HD13 ILE 18 HD13 ILE 18 3.558 -10.386 2.536 135 H ASN 19 HN ASN 19 6.540 -11.162 -2.291 136 HA ASN 19 HA ASN 19 7.415 -13.979 -2.269 137 HB2 ASN 19 HB2 ASN 19 8.057 -11.830 -4.295 138 HB3 ASN 19 HB1 ASN 19 8.777 -13.437 -4.270 139 HD21 ASN 19 HD21 ASN 19 5.710 -11.722 -4.528 140 HD22 ASN 19 HD22 ASN 19 4.917 -12.915 -5.493 141 H GLU 20 HN GLU 20 8.845 -14.246 -0.730 142 HA GLU 20 HA GLU 20 10.808 -12.115 -0.246 143 HB2 GLU 20 HB2 GLU 20 9.228 -13.003 1.634 144 HB3 GLU 20 HB1 GLU 20 10.316 -14.384 1.657 145 HG2 GLU 20 HG2 GLU 20 12.068 -12.306 1.763 146 HG3 GLU 20 HG1 GLU 20 10.695 -11.667 2.666 147 H ASP 21 HN ASP 21 10.860 -14.093 -2.346 148 HA ASP 21 HA ASP 21 13.129 -15.784 -1.575 149 HB2 ASP 21 HB2 ASP 21 11.216 -16.883 -2.699 150 HB3 ASP 21 HB1 ASP 21 11.458 -15.841 -4.099 151 H VAL 22 HN VAL 22 12.247 -13.032 -3.481 152 HA VAL 22 HA VAL 22 14.852 -13.029 -4.833 153 HB VAL 22 HB VAL 22 13.555 -10.732 -5.663 154 HG11 VAL 22 HG11 VAL 22 13.706 -13.478 -6.877 155 HG12 VAL 22 HG12 VAL 22 14.774 -12.103 -7.157 156 HG13 VAL 22 HG13 VAL 22 13.115 -12.065 -7.752 157 HG21 VAL 22 HG21 VAL 22 11.488 -11.481 -4.541 158 HG22 VAL 22 HG22 VAL 22 11.502 -12.937 -5.536 159 HG23 VAL 22 HG23 VAL 22 11.305 -11.355 -6.291 160 H SER 23 HN SER 23 15.954 -10.828 -4.978 161 HA SER 23 HA SER 23 16.806 -10.000 -2.498 162 HB2 SER 23 HB2 SER 23 16.988 -8.902 -5.228 163 HB3 SER 23 HB1 SER 23 17.209 -7.726 -3.933 164 HG SER 23 HG SER 23 18.965 -9.465 -4.845 165 HA PRO 24 HA PRO 24 13.764 -6.384 -2.232 166 HB2 PRO 24 HB2 PRO 24 12.289 -5.587 -4.310 167 HB3 PRO 24 HB1 PRO 24 13.991 -5.118 -4.169 168 HG2 PRO 24 HG2 PRO 24 12.750 -7.263 -5.846 169 HG3 PRO 24 HG1 PRO 24 14.041 -6.124 -6.265 170 HD2 PRO 24 HD2 PRO 24 14.465 -8.736 -5.497 171 HD3 PRO 24 HD1 PRO 24 15.659 -7.435 -5.329 172 H ALA 25 HN ALA 25 12.725 -8.101 -1.031 173 HA ALA 25 HA ALA 25 10.853 -9.902 -1.845 174 HB1 ALA 25 HB1 ALA 25 11.720 -9.312 0.551 175 HB2 ALA 25 HB2 ALA 25 10.153 -10.089 0.329 176 HB3 ALA 25 HB3 ALA 25 10.241 -8.353 0.624 177 H GLU 26 HN GLU 26 9.492 -9.369 -3.422 178 HA GLU 26 HA GLU 26 7.703 -7.084 -2.979 179 HB2 GLU 26 HB2 GLU 26 7.403 -7.249 -5.526 180 HB3 GLU 26 HB1 GLU 26 8.899 -6.565 -4.886 181 HG2 GLU 26 HG2 GLU 26 9.998 -8.743 -5.230 182 HG3 GLU 26 HG1 GLU 26 8.505 -9.371 -5.924 183 H LEU 27 HN LEU 27 5.546 -7.320 -4.214 184 HA LEU 27 HA LEU 27 4.564 -10.053 -4.051 185 HB2 LEU 27 HB2 LEU 27 2.638 -9.404 -2.786 186 HB3 LEU 27 HB1 LEU 27 4.059 -8.843 -1.927 187 HG LEU 27 HG LEU 27 3.589 -6.589 -3.167 188 HD11 LEU 27 HD11 LEU 27 1.215 -8.189 -3.775 189 HD12 LEU 27 HD12 LEU 27 1.836 -6.734 -4.553 190 HD13 LEU 27 HD13 LEU 27 0.865 -6.603 -3.087 191 HD21 LEU 27 HD21 LEU 27 3.134 -7.515 -0.650 192 HD22 LEU 27 HD22 LEU 27 1.521 -6.983 -1.126 193 HD23 LEU 27 HD23 LEU 27 2.873 -5.851 -1.173 194 H THR 28 HN THR 28 2.956 -10.552 -5.525 195 HA THR 28 HA THR 28 2.178 -8.334 -7.278 196 HB THR 28 HB THR 28 2.910 -11.127 -8.106 197 HG1 THR 28 HG1 THR 28 4.540 -10.099 -9.226 198 HG21 THR 28 HG21 THR 28 1.063 -10.483 -9.482 199 HG22 THR 28 HG22 THR 28 2.553 -10.360 -10.419 200 HG23 THR 28 HG23 THR 28 1.792 -8.904 -9.777 201 H TRP 29 HN TRP 29 0.206 -8.364 -8.183 202 HA TRP 29 HA TRP 29 -1.770 -10.051 -6.806 203 HB2 TRP 29 HB2 TRP 29 -1.821 -7.627 -6.332 204 HB3 TRP 29 HB1 TRP 29 -2.045 -7.306 -8.045 205 HD1 TRP 29 HD1 TRP 29 -3.909 -8.750 -5.014 206 HE1 TRP 29 HE1 TRP 29 -6.432 -8.583 -5.486 207 HE3 TRP 29 HE3 TRP 29 -3.705 -7.197 -9.878 208 HZ2 TRP 29 HZ2 TRP 29 -8.112 -7.893 -7.635 209 HZ3 TRP 29 HZ3 TRP 29 -5.837 -6.813 -11.069 210 HH2 TRP 29 HH2 TRP 29 -7.984 -7.156 -9.973 211 H ARG 30 HN ARG 30 -3.250 -11.198 -8.002 212 HA ARG 30 HA ARG 30 -3.263 -10.789 -10.914 213 HB2 ARG 30 HB2 ARG 30 -1.785 -12.750 -10.051 214 HB3 ARG 30 HB1 ARG 30 -3.319 -13.565 -9.779 215 HG2 ARG 30 HG2 ARG 30 -3.074 -12.361 -12.431 216 HG3 ARG 30 HG1 ARG 30 -1.887 -13.624 -12.097 217 HD2 ARG 30 HD2 ARG 30 -4.648 -14.237 -11.284 218 HD3 ARG 30 HD1 ARG 30 -4.391 -14.083 -13.022 219 HE ARG 30 HE ARG 30 -2.450 -15.755 -11.729 220 HH11 ARG 30 HH11 ARG 30 -5.632 -15.667 -13.158 221 HH12 ARG 30 HH12 ARG 30 -5.647 -17.357 -13.533 222 HH21 ARG 30 HH21 ARG 30 -2.467 -17.978 -12.223 223 HH22 ARG 30 HH22 ARG 30 -3.850 -18.670 -13.002 224 H SER 31 HN SER 31 -5.258 -10.647 -11.739 225 HA SER 31 HA SER 31 -7.526 -11.061 -10.031 226 HB2 SER 31 HB2 SER 31 -8.843 -10.160 -11.840 227 HB3 SER 31 HB1 SER 31 -7.371 -9.200 -11.702 228 HG SER 31 HG SER 31 -7.749 -11.335 -13.532 229 H THR 32 HN THR 32 -9.357 -12.406 -10.553 230 HA THR 32 HA THR 32 -8.496 -14.968 -11.652 231 HB THR 32 HB THR 32 -10.814 -15.663 -10.681 232 HG1 THR 32 HG1 THR 32 -10.345 -13.347 -9.128 233 HG21 THR 32 HG21 THR 32 -8.275 -15.682 -9.604 234 HG22 THR 32 HG22 THR 32 -9.688 -16.536 -8.986 235 HG23 THR 32 HG23 THR 32 -9.268 -14.947 -8.346 236 H ASP 33 HN ASP 33 -10.998 -12.557 -12.056 237 HA ASP 33 HA ASP 33 -11.802 -13.856 -14.542 238 HB2 ASP 33 HB2 ASP 33 -13.992 -12.872 -14.281 239 HB3 ASP 33 HB1 ASP 33 -13.565 -13.719 -12.798 240 H GLY 34 HN GLY 34 -10.423 -11.045 -13.179 241 HA2 GLY 34 HA2 GLY 34 -11.127 -9.259 -15.323 242 HA3 GLY 34 HA1 GLY 34 -9.982 -8.940 -14.031 243 H ASP 35 HN ASP 35 -8.860 -11.751 -15.064 244 HA ASP 35 HA ASP 35 -7.001 -12.338 -16.240 245 HB2 ASP 35 HB2 ASP 35 -8.922 -11.986 -17.988 246 HB3 ASP 35 HB1 ASP 35 -7.947 -10.610 -18.495 247 H LYS 36 HN LYS 36 -6.301 -10.459 -14.526 248 HA LYS 36 HA LYS 36 -4.294 -8.933 -15.974 249 HB2 LYS 36 HB2 LYS 36 -4.808 -6.862 -14.904 250 HB3 LYS 36 HB1 LYS 36 -6.288 -7.461 -15.637 251 HG2 LYS 36 HG2 LYS 36 -7.140 -8.156 -13.521 252 HG3 LYS 36 HG1 LYS 36 -5.600 -7.809 -12.733 253 HD2 LYS 36 HD2 LYS 36 -7.222 -5.708 -14.148 254 HD3 LYS 36 HD1 LYS 36 -7.423 -6.077 -12.435 255 HE2 LYS 36 HE2 LYS 36 -5.534 -5.011 -11.864 256 HE3 LYS 36 HE1 LYS 36 -4.644 -5.657 -13.242 257 HZ1 LYS 36 HZ1 LYS 36 -6.481 -3.325 -13.247 258 HZ2 LYS 36 HZ2 LYS 36 -5.791 -3.992 -14.639 259 HZ3 LYS 36 HZ3 LYS 36 -4.802 -3.297 -13.456 260 H VAL 37 HN VAL 37 -2.548 -8.208 -14.607 261 HA VAL 37 HA VAL 37 -2.453 -9.324 -11.922 262 HB VAL 37 HB VAL 37 -1.540 -11.189 -12.958 263 HG11 VAL 37 HG11 VAL 37 -1.485 -10.298 -15.217 264 HG12 VAL 37 HG12 VAL 37 0.022 -11.132 -14.835 265 HG13 VAL 37 HG13 VAL 37 -0.036 -9.369 -14.830 266 HG21 VAL 37 HG21 VAL 37 0.830 -11.220 -12.462 267 HG22 VAL 37 HG22 VAL 37 -0.029 -10.312 -11.219 268 HG23 VAL 37 HG23 VAL 37 0.881 -9.457 -12.464 269 H HIS 38 HN HIS 38 -1.619 -7.849 -10.588 270 HA HIS 38 HA HIS 38 0.201 -5.831 -11.727 271 HB2 HIS 38 HB2 HIS 38 -1.959 -4.909 -10.979 272 HB3 HIS 38 HB1 HIS 38 -1.667 -5.547 -9.365 273 HD1 HIS 38 HD1 HIS 38 -1.575 -3.298 -8.189 274 HD2 HIS 38 HD2 HIS 38 1.117 -3.610 -11.338 275 HE1 HIS 38 HE1 HIS 38 -0.075 -1.290 -7.991 276 HE2 HIS 38 HE2 HIS 38 1.491 -1.454 -9.959 277 H THR 39 HN THR 39 2.190 -6.289 -11.205 278 HA THR 39 HA THR 39 2.919 -7.615 -8.692 279 HB THR 39 HB THR 39 4.528 -6.722 -11.106 280 HG1 THR 39 HG1 THR 39 3.148 -8.577 -11.334 281 HG21 THR 39 HG21 THR 39 6.396 -6.962 -9.961 282 HG22 THR 39 HG22 THR 39 5.957 -8.638 -9.634 283 HG23 THR 39 HG23 THR 39 5.490 -7.368 -8.504 284 H VAL 40 HN VAL 40 2.958 -6.268 -6.976 285 HA VAL 40 HA VAL 40 4.054 -3.565 -7.316 286 HB VAL 40 HB VAL 40 2.655 -4.689 -4.886 287 HG11 VAL 40 HG11 VAL 40 3.006 -2.716 -3.897 288 HG12 VAL 40 HG12 VAL 40 2.586 -1.814 -5.353 289 HG13 VAL 40 HG13 VAL 40 4.221 -2.443 -5.147 290 HG21 VAL 40 HG21 VAL 40 0.830 -4.656 -6.205 291 HG22 VAL 40 HG22 VAL 40 1.594 -3.619 -7.410 292 HG23 VAL 40 HG23 VAL 40 0.903 -2.912 -5.949 293 H VAL 41 HN VAL 41 6.200 -3.495 -7.030 294 HA VAL 41 HA VAL 41 7.518 -5.434 -5.395 295 HB VAL 41 HB VAL 41 8.813 -2.991 -6.571 296 HG11 VAL 41 HG11 VAL 41 9.819 -4.882 -4.851 297 HG12 VAL 41 HG12 VAL 41 10.777 -3.887 -5.947 298 HG13 VAL 41 HG13 VAL 41 10.295 -5.512 -6.428 299 HG21 VAL 41 HG21 VAL 41 7.494 -4.412 -8.228 300 HG22 VAL 41 HG22 VAL 41 8.678 -5.679 -7.906 301 HG23 VAL 41 HG23 VAL 41 9.199 -4.138 -8.586 302 H LEU 42 HN LEU 42 7.358 -5.329 -3.300 303 HA LEU 42 HA LEU 42 6.742 -3.242 -1.652 304 HB2 LEU 42 HB2 LEU 42 8.397 -5.693 -1.304 305 HB3 LEU 42 HB1 LEU 42 8.339 -4.528 0.000 306 HG LEU 42 HG LEU 42 5.747 -4.776 -0.243 307 HD11 LEU 42 HD11 LEU 42 6.672 -7.408 -1.388 308 HD12 LEU 42 HD12 LEU 42 5.866 -6.131 -2.301 309 HD13 LEU 42 HD13 LEU 42 5.016 -6.952 -0.992 310 HD21 LEU 42 HD21 LEU 42 5.813 -6.700 1.325 311 HD22 LEU 42 HD22 LEU 42 6.932 -5.404 1.746 312 HD23 LEU 42 HD23 LEU 42 7.533 -6.874 0.977 313 H SER 43 HN SER 43 9.740 -3.911 -3.262 314 HA SER 43 HA SER 43 11.491 -2.355 -1.714 315 HB2 SER 43 HB2 SER 43 11.608 -3.788 -4.179 316 HB3 SER 43 HB1 SER 43 12.280 -2.180 -4.445 317 HG SER 43 HG SER 43 13.615 -2.579 -2.578 318 H THR 44 HN THR 44 9.740 -1.581 -4.662 319 HA THR 44 HA THR 44 10.408 1.167 -4.668 320 HB THR 44 HB THR 44 8.174 1.142 -6.127 321 HG1 THR 44 HG1 THR 44 7.395 -0.818 -5.983 322 HG21 THR 44 HG21 THR 44 10.391 1.552 -7.053 323 HG22 THR 44 HG22 THR 44 9.439 0.484 -8.085 324 HG23 THR 44 HG23 THR 44 10.706 -0.183 -7.055 325 H ILE 45 HN ILE 45 8.207 -0.745 -2.872 326 HA ILE 45 HA ILE 45 6.445 1.487 -2.229 327 HB ILE 45 HB ILE 45 6.457 -1.285 -1.033 328 HG12 ILE 45 HG12 ILE 45 6.126 -1.306 -3.497 329 HG13 ILE 45 HG11 ILE 45 4.702 -1.844 -2.613 330 HG21 ILE 45 HG21 ILE 45 4.242 -0.781 -0.274 331 HG22 ILE 45 HG22 ILE 45 4.248 0.763 -1.127 332 HG23 ILE 45 HG23 ILE 45 5.314 0.515 0.257 333 HD11 ILE 45 HD11 ILE 45 3.538 -0.397 -3.814 334 HD12 ILE 45 HD12 ILE 45 5.004 0.335 -4.467 335 HD13 ILE 45 HD13 ILE 45 4.350 0.893 -2.927 336 H ASP 46 HN ASP 46 6.668 2.784 -0.521 337 HA ASP 46 HA ASP 46 8.712 2.084 1.479 338 HB2 ASP 46 HB2 ASP 46 9.130 4.117 0.076 339 HB3 ASP 46 HB1 ASP 46 7.688 4.842 0.781 340 H LYS 47 HN LYS 47 5.379 2.894 1.012 341 HA LYS 47 HA LYS 47 5.006 2.974 3.933 342 HB2 LYS 47 HB2 LYS 47 4.072 4.734 1.887 343 HB3 LYS 47 HB1 LYS 47 2.682 3.944 2.619 344 HG2 LYS 47 HG2 LYS 47 2.826 5.632 4.087 345 HG3 LYS 47 HG1 LYS 47 4.067 4.619 4.829 346 HD2 LYS 47 HD2 LYS 47 5.202 6.604 4.661 347 HD3 LYS 47 HD1 LYS 47 5.634 5.863 3.118 348 HE2 LYS 47 HE2 LYS 47 3.717 7.092 2.087 349 HE3 LYS 47 HE1 LYS 47 3.504 7.936 3.621 350 HZ1 LYS 47 HZ1 LYS 47 4.830 9.187 1.981 351 HZ2 LYS 47 HZ2 LYS 47 6.008 7.974 2.026 352 HZ3 LYS 47 HZ3 LYS 47 5.677 8.883 3.414 353 H LEU 48 HN LEU 48 3.288 1.847 4.841 354 HA LEU 48 HA LEU 48 1.615 0.145 3.210 355 HB2 LEU 48 HB2 LEU 48 3.748 -1.127 3.461 356 HB3 LEU 48 HB1 LEU 48 3.528 -1.083 5.200 357 HG LEU 48 HG LEU 48 2.876 -3.239 4.118 358 HD11 LEU 48 HD11 LEU 48 0.400 -2.101 5.302 359 HD12 LEU 48 HD12 LEU 48 1.867 -2.131 6.280 360 HD13 LEU 48 HD13 LEU 48 1.210 -3.633 5.627 361 HD21 LEU 48 HD21 LEU 48 1.934 -2.377 2.061 362 HD22 LEU 48 HD22 LEU 48 0.659 -1.556 2.962 363 HD23 LEU 48 HD23 LEU 48 0.724 -3.317 2.933 364 H GLN 49 HN GLN 49 -0.352 0.157 4.136 365 HA GLN 49 HA GLN 49 -0.522 0.162 7.056 366 HB2 GLN 49 HB2 GLN 49 -2.186 2.090 5.458 367 HB3 GLN 49 HB1 GLN 49 -1.943 2.038 7.198 368 HG2 GLN 49 HG2 GLN 49 -0.556 3.752 6.736 369 HG3 GLN 49 HG1 GLN 49 0.581 2.437 6.445 370 HE21 GLN 49 HE21 GLN 49 -1.482 4.826 4.969 371 HE22 GLN 49 HE22 GLN 49 -0.768 4.763 3.398 372 H ALA 50 HN ALA 50 -2.084 -1.055 7.845 373 HA ALA 50 HA ALA 50 -4.125 -2.117 6.001 374 HB1 ALA 50 HB1 ALA 50 -4.153 -4.129 7.214 375 HB2 ALA 50 HB2 ALA 50 -3.298 -3.417 8.581 376 HB3 ALA 50 HB3 ALA 50 -2.447 -3.718 7.068 377 H THR 51 HN THR 51 -6.244 -2.645 7.115 378 HA THR 51 HA THR 51 -6.861 -0.441 8.952 379 HB THR 51 HB THR 51 -9.266 -1.082 8.243 380 HG1 THR 51 HG1 THR 51 -9.168 -2.874 7.118 381 HG21 THR 51 HG21 THR 51 -7.537 -0.069 6.024 382 HG22 THR 51 HG22 THR 51 -7.902 0.901 7.449 383 HG23 THR 51 HG23 THR 51 -9.206 0.343 6.403 384 HA PRO 52 HA PRO 52 -7.711 -3.743 11.956 385 HB2 PRO 52 HB2 PRO 52 -6.028 -2.921 13.826 386 HB3 PRO 52 HB1 PRO 52 -5.397 -3.594 12.317 387 HG2 PRO 52 HG2 PRO 52 -5.402 -0.792 13.261 388 HG3 PRO 52 HG1 PRO 52 -4.345 -1.576 12.076 389 HD2 PRO 52 HD2 PRO 52 -6.770 -0.015 11.615 390 HD3 PRO 52 HD1 PRO 52 -5.587 -0.610 10.435 391 H ALA 53 HN ALA 53 -8.702 -3.729 14.055 392 HA ALA 53 HA ALA 53 -10.507 -3.003 15.317 393 HB1 ALA 53 HB1 ALA 53 -8.938 -2.774 16.939 394 HB2 ALA 53 HB2 ALA 53 -9.542 -1.118 16.872 395 HB3 ALA 53 HB3 ALA 53 -8.041 -1.544 16.050 396 H SER 54 HN SER 54 -9.002 0.136 14.856 397 HA SER 54 HA SER 54 -11.381 1.615 14.851 398 HB2 SER 54 HB2 SER 54 -8.760 2.303 13.541 399 HB3 SER 54 HB1 SER 54 -10.007 3.455 14.028 400 HG SER 54 HG SER 54 -8.319 3.308 15.576 401 H SER 55 HN SER 55 -9.626 0.074 12.320 402 HA SER 55 HA SER 55 -11.667 0.973 10.408 403 HB2 SER 55 HB2 SER 55 -9.299 1.788 10.013 404 HB3 SER 55 HB1 SER 55 -8.869 0.111 9.688 405 HG SER 55 HG SER 55 -9.662 1.684 7.910 406 H GLU 56 HN GLU 56 -13.078 -0.710 10.588 407 HA GLU 56 HA GLU 56 -12.081 -3.441 10.296 408 HB2 GLU 56 HB2 GLU 56 -13.914 -2.712 11.963 409 HB3 GLU 56 HB1 GLU 56 -14.972 -2.639 10.561 410 HG2 GLU 56 HG2 GLU 56 -14.676 -4.969 10.130 411 HG3 GLU 56 HG1 GLU 56 -13.424 -5.088 11.365 412 H LYS 57 HN LYS 57 -12.132 -1.300 8.177 413 HA LYS 57 HA LYS 57 -14.024 -2.235 6.234 414 HB2 LYS 57 HB2 LYS 57 -11.815 -0.187 6.110 415 HB3 LYS 57 HB1 LYS 57 -12.925 -0.517 4.785 416 HG2 LYS 57 HG2 LYS 57 -13.724 1.405 5.898 417 HG3 LYS 57 HG1 LYS 57 -14.798 0.080 6.349 418 HD2 LYS 57 HD2 LYS 57 -13.988 -0.013 8.510 419 HD3 LYS 57 HD1 LYS 57 -12.445 0.723 8.073 420 HE2 LYS 57 HE2 LYS 57 -13.494 2.877 7.813 421 HE3 LYS 57 HE1 LYS 57 -15.088 2.173 8.080 422 HZ1 LYS 57 HZ1 LYS 57 -12.906 2.576 10.030 423 HZ2 LYS 57 HZ2 LYS 57 -14.148 1.466 10.324 424 HZ3 LYS 57 HZ3 LYS 57 -14.511 3.105 10.116 425 H MET 58 HN MET 58 -11.248 -3.528 7.317 426 HA MET 58 HA MET 58 -9.497 -4.724 6.437 427 HB2 MET 58 HB2 MET 58 -10.315 -6.636 5.081 428 HB3 MET 58 HB1 MET 58 -11.244 -6.360 6.546 429 HG2 MET 58 HG2 MET 58 -12.230 -5.073 4.078 430 HG3 MET 58 HG1 MET 58 -12.356 -6.826 4.176 431 HE1 MET 58 HE1 MET 58 -15.855 -6.778 5.340 432 HE2 MET 58 HE2 MET 58 -14.527 -7.658 4.576 433 HE3 MET 58 HE3 MET 58 -15.118 -6.151 3.864 434 H MET 59 HN MET 59 -8.237 -3.217 5.344 435 HA MET 59 HA MET 59 -8.077 -3.639 2.506 436 HB2 MET 59 HB2 MET 59 -8.244 -1.258 1.890 437 HB3 MET 59 HB1 MET 59 -9.753 -1.865 2.560 438 HG2 MET 59 HG2 MET 59 -8.400 -0.909 4.751 439 HG3 MET 59 HG1 MET 59 -8.018 0.257 3.492 440 HE1 MET 59 HE1 MET 59 -8.960 2.218 4.112 441 HE2 MET 59 HE2 MET 59 -9.723 1.900 5.665 442 HE3 MET 59 HE3 MET 59 -10.658 2.604 4.355 443 H LEU 60 HN LEU 60 -6.051 -3.248 1.695 444 HA LEU 60 HA LEU 60 -4.060 -2.292 3.643 445 HB2 LEU 60 HB2 LEU 60 -3.743 -4.278 1.391 446 HB3 LEU 60 HB1 LEU 60 -2.421 -3.672 2.368 447 HG LEU 60 HG LEU 60 -4.662 -5.498 3.198 448 HD11 LEU 60 HD11 LEU 60 -1.699 -5.676 2.933 449 HD12 LEU 60 HD12 LEU 60 -2.945 -6.829 2.454 450 HD13 LEU 60 HD13 LEU 60 -2.509 -6.656 4.157 451 HD21 LEU 60 HD21 LEU 60 -3.919 -5.317 5.490 452 HD22 LEU 60 HD22 LEU 60 -4.434 -3.738 4.901 453 HD23 LEU 60 HD23 LEU 60 -2.715 -4.112 5.033 454 H ARG 61 HN ARG 61 -2.846 -0.581 3.125 455 HA ARG 61 HA ARG 61 -2.949 0.398 0.342 456 HB2 ARG 61 HB2 ARG 61 -4.185 1.924 1.699 457 HB3 ARG 61 HB1 ARG 61 -2.948 1.923 2.947 458 HG2 ARG 61 HG2 ARG 61 -1.910 3.631 1.995 459 HG3 ARG 61 HG1 ARG 61 -1.807 2.772 0.458 460 HD2 ARG 61 HD2 ARG 61 -3.770 3.693 -0.338 461 HD3 ARG 61 HD1 ARG 61 -4.387 4.033 1.278 462 HE ARG 61 HE ARG 61 -2.173 5.623 1.016 463 HH11 ARG 61 HH11 ARG 61 -5.158 5.213 -0.745 464 HH12 ARG 61 HH12 ARG 61 -5.215 6.859 -1.279 465 HH21 ARG 61 HH21 ARG 61 -2.247 7.789 0.316 466 HH22 ARG 61 HH22 ARG 61 -3.562 8.322 -0.677 467 H LEU 62 HN LEU 62 -1.055 0.591 -0.666 468 HA LEU 62 HA LEU 62 1.389 0.827 0.947 469 HB2 LEU 62 HB2 LEU 62 2.181 -0.571 -1.322 470 HB3 LEU 62 HB1 LEU 62 2.052 -1.197 0.307 471 HG LEU 62 HG LEU 62 0.955 -2.654 -1.323 472 HD11 LEU 62 HD11 LEU 62 -0.131 -1.710 1.083 473 HD12 LEU 62 HD12 LEU 62 -0.449 -3.247 0.280 474 HD13 LEU 62 HD13 LEU 62 -1.478 -1.852 -0.045 475 HD21 LEU 62 HD21 LEU 62 -1.412 -1.337 -1.951 476 HD22 LEU 62 HD22 LEU 62 -0.089 -1.726 -3.049 477 HD23 LEU 62 HD23 LEU 62 -0.142 -0.153 -2.257 478 H ILE 63 HN ILE 63 2.622 2.485 0.375 479 HA ILE 63 HA ILE 63 2.102 3.751 -2.226 480 HB ILE 63 HB ILE 63 3.540 5.090 0.040 481 HG12 ILE 63 HG12 ILE 63 1.564 4.701 1.162 482 HG13 ILE 63 HG11 ILE 63 1.182 6.204 0.336 483 HG21 ILE 63 HG21 ILE 63 2.542 7.110 -1.121 484 HG22 ILE 63 HG22 ILE 63 2.115 6.015 -2.435 485 HG23 ILE 63 HG23 ILE 63 3.807 6.243 -1.992 486 HD11 ILE 63 HD11 ILE 63 0.362 4.368 -1.487 487 HD12 ILE 63 HD12 ILE 63 -0.674 5.129 -0.280 488 HD13 ILE 63 HD13 ILE 63 0.023 3.540 0.034 489 H GLY 64 HN GLY 64 3.741 4.385 -3.550 490 HA2 GLY 64 HA2 GLY 64 6.009 2.724 -3.683 491 HA3 GLY 64 HA1 GLY 64 5.758 4.181 -4.631 492 H LYS 65 HN LYS 65 7.466 5.463 -4.455 493 HA LYS 65 HA LYS 65 8.643 5.851 -1.781 494 HB2 LYS 65 HB2 LYS 65 9.941 4.683 -3.862 495 HB3 LYS 65 HB1 LYS 65 10.373 6.368 -4.118 496 HG2 LYS 65 HG2 LYS 65 12.058 5.888 -2.723 497 HG3 LYS 65 HG1 LYS 65 10.842 6.140 -1.469 498 HD2 LYS 65 HD2 LYS 65 10.351 3.716 -1.511 499 HD3 LYS 65 HD1 LYS 65 11.647 3.500 -2.689 500 HE2 LYS 65 HE2 LYS 65 11.856 4.366 0.182 501 HE3 LYS 65 HE1 LYS 65 12.580 2.956 -0.589 502 HZ1 LYS 65 HZ1 LYS 65 13.425 5.760 -0.673 503 HZ2 LYS 65 HZ2 LYS 65 13.732 4.796 -2.027 504 HZ3 LYS 65 HZ3 LYS 65 14.358 4.357 -0.519 505 H VAL 66 HN VAL 66 10.141 7.951 -1.946 506 HA VAL 66 HA VAL 66 8.815 10.055 -3.470 507 HB VAL 66 HB VAL 66 8.882 11.468 -1.279 508 HG11 VAL 66 HG11 VAL 66 6.766 9.409 -1.878 509 HG12 VAL 66 HG12 VAL 66 6.854 11.063 -2.483 510 HG13 VAL 66 HG13 VAL 66 6.548 10.765 -0.772 511 HG21 VAL 66 HG21 VAL 66 9.894 9.300 -0.138 512 HG22 VAL 66 HG22 VAL 66 8.186 8.922 0.082 513 HG23 VAL 66 HG23 VAL 66 8.850 10.415 0.744 514 H ASP 67 HN ASP 67 10.242 11.439 -4.270 515 HA ASP 67 HA ASP 67 12.819 11.787 -2.899 516 HB2 ASP 67 HB2 ASP 67 12.297 10.977 -5.724 517 HB3 ASP 67 HB1 ASP 67 13.680 12.017 -5.394 518 H GLU 68 HN GLU 68 12.152 13.788 -2.096 519 HA GLU 68 HA GLU 68 10.996 15.815 -3.687 520 HB2 GLU 68 HB2 GLU 68 11.405 17.289 -1.810 521 HB3 GLU 68 HB1 GLU 68 10.814 15.739 -1.227 522 HG2 GLU 68 HG2 GLU 68 13.723 15.903 -1.375 523 HG3 GLU 68 HG1 GLU 68 12.996 17.072 -0.274 524 H SER 69 HN SER 69 14.226 14.722 -3.337 525 HA SER 69 HA SER 69 15.753 16.970 -3.756 526 HB2 SER 69 HB2 SER 69 16.612 14.648 -3.366 527 HB3 SER 69 HB1 SER 69 16.268 14.293 -5.059 528 HG SER 69 HG SER 69 18.170 16.061 -3.967 529 H LYS 70 HN LYS 70 13.655 15.382 -5.989 530 HA LYS 70 HA LYS 70 14.697 16.932 -8.221 531 HB2 LYS 70 HB2 LYS 70 13.328 15.475 -9.633 532 HB3 LYS 70 HB1 LYS 70 14.399 14.538 -8.597 533 HG2 LYS 70 HG2 LYS 70 11.949 14.944 -7.218 534 HG3 LYS 70 HG1 LYS 70 11.588 14.361 -8.847 535 HD2 LYS 70 HD2 LYS 70 13.639 13.054 -7.076 536 HD3 LYS 70 HD1 LYS 70 11.937 12.591 -7.056 537 HE2 LYS 70 HE2 LYS 70 13.874 12.419 -9.354 538 HE3 LYS 70 HE1 LYS 70 13.065 11.091 -8.522 539 HZ1 LYS 70 HZ1 LYS 70 10.929 12.182 -9.332 540 HZ2 LYS 70 HZ2 LYS 70 11.869 11.372 -10.481 541 HZ3 LYS 70 HZ3 LYS 70 11.909 13.060 -10.396 542 H LYS 71 HN LYS 71 12.728 17.672 -5.872 543 HA LYS 71 HA LYS 71 10.217 18.242 -6.844 544 HB2 LYS 71 HB2 LYS 71 9.961 19.751 -5.060 545 HB3 LYS 71 HB1 LYS 71 11.123 18.569 -4.480 546 HG2 LYS 71 HG2 LYS 71 12.463 20.778 -5.760 547 HG3 LYS 71 HG1 LYS 71 11.381 21.344 -4.488 548 HD2 LYS 71 HD2 LYS 71 12.458 19.480 -3.061 549 HD3 LYS 71 HD1 LYS 71 13.723 19.482 -4.292 550 HE2 LYS 71 HE2 LYS 71 12.959 22.134 -3.277 551 HE3 LYS 71 HE1 LYS 71 13.712 21.069 -2.091 552 HZ1 LYS 71 HZ1 LYS 71 15.382 22.367 -3.205 553 HZ2 LYS 71 HZ2 LYS 71 14.846 21.847 -4.723 554 HZ3 LYS 71 HZ3 LYS 71 15.556 20.745 -3.655 555 H ARG 72 HN ARG 72 9.646 20.860 -6.761 556 HA ARG 72 HA ARG 72 11.329 22.359 -8.563 557 HB2 ARG 72 HB2 ARG 72 9.530 22.684 -10.243 558 HB3 ARG 72 HB1 ARG 72 10.131 21.033 -10.186 559 HG2 ARG 72 HG2 ARG 72 7.642 21.932 -8.759 560 HG3 ARG 72 HG1 ARG 72 7.645 21.275 -10.397 561 HD2 ARG 72 HD2 ARG 72 8.988 19.323 -9.278 562 HD3 ARG 72 HD1 ARG 72 8.234 19.923 -7.802 563 HE ARG 72 HE ARG 72 6.265 19.005 -8.495 564 HH11 ARG 72 HH11 ARG 72 8.358 19.342 -11.268 565 HH12 ARG 72 HH12 ARG 72 7.281 18.510 -12.338 566 HH21 ARG 72 HH21 ARG 72 4.847 17.910 -9.902 567 HH22 ARG 72 HH22 ARG 72 5.288 17.698 -11.564 568 H LYS 73 HN LYS 73 11.107 24.494 -8.220 569 HA LYS 73 HA LYS 73 9.465 25.382 -6.075 570 HB2 LYS 73 HB2 LYS 73 10.794 27.236 -8.034 571 HB3 LYS 73 HB1 LYS 73 10.511 27.471 -6.315 572 HG2 LYS 73 HG2 LYS 73 12.554 25.694 -7.619 573 HG3 LYS 73 HG1 LYS 73 12.833 27.111 -6.606 574 HD2 LYS 73 HD2 LYS 73 11.508 25.733 -4.822 575 HD3 LYS 73 HD1 LYS 73 11.968 24.359 -5.829 576 HE2 LYS 73 HE2 LYS 73 14.335 25.645 -5.638 577 HE3 LYS 73 HE1 LYS 73 13.614 26.075 -4.088 578 HZ1 LYS 73 HZ1 LYS 73 13.414 23.279 -4.851 579 HZ2 LYS 73 HZ2 LYS 73 13.747 23.969 -3.344 580 HZ3 LYS 73 HZ3 LYS 73 14.974 23.833 -4.500 581 H ASP 74 HN ASP 74 8.596 27.904 -6.929 582 HA ASP 74 HA ASP 74 6.938 27.689 -9.235 583 HB2 ASP 74 HB2 ASP 74 5.816 27.096 -6.544 584 HB3 ASP 74 HB1 ASP 74 4.839 28.082 -7.628 585 H ASN 75 HN ASN 75 5.220 29.581 -9.130 586 HA ASN 75 HA ASN 75 6.651 31.972 -9.029 587 HB2 ASN 75 HB2 ASN 75 3.748 31.288 -9.228 588 HB3 ASN 75 HB1 ASN 75 4.213 32.966 -8.966 589 HD21 ASN 75 HD21 ASN 75 5.291 34.079 -10.575 590 HD22 ASN 75 HD22 ASN 75 5.390 33.496 -12.198 591 H GLU 76 HN GLU 76 4.978 30.267 -6.549 592 HA GLU 76 HA GLU 76 4.959 32.551 -4.772 593 HB2 GLU 76 HB2 GLU 76 3.730 29.848 -4.751 594 HB3 GLU 76 HB1 GLU 76 4.062 30.598 -3.195 595 HG2 GLU 76 HG2 GLU 76 2.609 32.140 -5.291 596 HG3 GLU 76 HG1 GLU 76 1.754 30.920 -4.349 597 H GLY 77 HN GLY 77 7.425 30.985 -5.749 598 HA2 GLY 77 HA2 GLY 77 9.447 30.335 -4.884 599 HA3 GLY 77 HA1 GLY 77 9.026 31.335 -3.502 600 H ASN 78 HN ASN 78 7.041 28.622 -4.397 601 HA ASN 78 HA ASN 78 8.040 27.177 -2.030 602 HB2 ASN 78 HB2 ASN 78 5.277 27.608 -3.090 603 HB3 ASN 78 HB1 ASN 78 5.630 26.118 -2.220 604 HD21 ASN 78 HD21 ASN 78 6.500 29.541 -1.844 605 HD22 ASN 78 HD22 ASN 78 6.044 29.647 -0.181 606 H GLU 79 HN GLU 79 7.899 24.835 -2.109 607 HA GLU 79 HA GLU 79 7.691 23.636 -4.757 608 HB2 GLU 79 HB2 GLU 79 9.860 22.569 -4.639 609 HB3 GLU 79 HB1 GLU 79 10.060 24.311 -4.518 610 HG2 GLU 79 HG2 GLU 79 9.781 23.198 -1.899 611 HG3 GLU 79 HG1 GLU 79 11.033 22.329 -2.786 612 H VAL 80 HN VAL 80 8.320 21.130 -4.416 613 HA VAL 80 HA VAL 80 7.843 19.915 -1.943 614 HB VAL 80 HB VAL 80 5.594 20.853 -2.117 615 HG11 VAL 80 HG11 VAL 80 5.264 19.194 -4.610 616 HG12 VAL 80 HG12 VAL 80 5.541 20.936 -4.606 617 HG13 VAL 80 HG13 VAL 80 4.077 20.274 -3.879 618 HG21 VAL 80 HG21 VAL 80 5.980 18.634 -1.062 619 HG22 VAL 80 HG22 VAL 80 5.530 17.877 -2.591 620 HG23 VAL 80 HG23 VAL 80 4.349 18.842 -1.703 621 H VAL 81 HN VAL 81 7.619 17.605 -2.079 622 HA VAL 81 HA VAL 81 9.128 16.461 -4.151 623 HB VAL 81 HB VAL 81 8.988 15.475 -1.906 624 HG11 VAL 81 HG11 VAL 81 6.319 15.858 -2.065 625 HG12 VAL 81 HG12 VAL 81 7.094 14.766 -0.917 626 HG13 VAL 81 HG13 VAL 81 6.421 14.133 -2.419 627 HG21 VAL 81 HG21 VAL 81 9.672 14.107 -3.845 628 HG22 VAL 81 HG22 VAL 81 8.002 13.573 -4.029 629 HG23 VAL 81 HG23 VAL 81 8.906 13.154 -2.574 630 HA PRO 82 HA PRO 82 6.184 15.946 -7.437 631 HB2 PRO 82 HB2 PRO 82 7.669 13.409 -7.924 632 HB3 PRO 82 HB1 PRO 82 7.292 14.724 -9.044 633 HG2 PRO 82 HG2 PRO 82 9.751 14.446 -8.091 634 HG3 PRO 82 HG1 PRO 82 9.030 16.059 -8.260 635 HD2 PRO 82 HD2 PRO 82 9.397 14.392 -5.803 636 HD3 PRO 82 HD1 PRO 82 9.596 16.144 -6.016 637 H LYS 83 HN LYS 83 4.165 15.297 -7.062 638 HA LYS 83 HA LYS 83 3.254 13.499 -5.224 639 HB2 LYS 83 HB2 LYS 83 1.918 13.914 -7.897 640 HB3 LYS 83 HB1 LYS 83 1.152 13.501 -6.370 641 HG2 LYS 83 HG2 LYS 83 0.744 15.668 -6.130 642 HG3 LYS 83 HG1 LYS 83 2.470 15.863 -5.816 643 HD2 LYS 83 HD2 LYS 83 1.806 17.422 -7.526 644 HD3 LYS 83 HD1 LYS 83 2.825 16.178 -8.253 645 HE2 LYS 83 HE2 LYS 83 0.950 15.086 -9.217 646 HE3 LYS 83 HE1 LYS 83 -0.182 16.059 -8.278 647 HZ1 LYS 83 HZ1 LYS 83 1.639 17.526 -10.005 648 HZ2 LYS 83 HZ2 LYS 83 -0.002 17.787 -9.690 649 HZ3 LYS 83 HZ3 LYS 83 0.466 16.594 -10.793 650 HA PRO 84 HA PRO 84 4.963 9.733 -7.131 651 HB2 PRO 84 HB2 PRO 84 4.047 8.557 -4.583 652 HB3 PRO 84 HB1 PRO 84 5.653 8.538 -5.316 653 HG2 PRO 84 HG2 PRO 84 5.123 10.034 -3.159 654 HG3 PRO 84 HG1 PRO 84 6.230 10.592 -4.427 655 HD2 PRO 84 HD2 PRO 84 3.376 11.354 -3.932 656 HD3 PRO 84 HD1 PRO 84 4.751 12.379 -4.393 657 H GLN 85 HN GLN 85 3.863 7.295 -6.520 658 HA GLN 85 HA GLN 85 1.057 7.581 -7.373 659 HB2 GLN 85 HB2 GLN 85 3.025 6.601 -8.946 660 HB3 GLN 85 HB1 GLN 85 2.513 5.123 -8.143 661 HG2 GLN 85 HG2 GLN 85 0.373 6.836 -9.234 662 HG3 GLN 85 HG1 GLN 85 1.417 6.031 -10.404 663 HE21 GLN 85 HE21 GLN 85 -0.612 5.454 -7.576 664 HE22 GLN 85 HE22 GLN 85 -1.079 3.849 -8.013 665 H ARG 86 HN ARG 86 0.065 7.241 -5.433 666 HA ARG 86 HA ARG 86 0.870 5.081 -3.695 667 HB2 ARG 86 HB2 ARG 86 -1.583 6.836 -3.512 668 HB3 ARG 86 HB1 ARG 86 -0.903 5.841 -2.232 669 HG2 ARG 86 HG2 ARG 86 0.609 7.386 -1.671 670 HG3 ARG 86 HG1 ARG 86 0.984 7.768 -3.352 671 HD2 ARG 86 HD2 ARG 86 -1.577 8.662 -2.067 672 HD3 ARG 86 HD1 ARG 86 -0.090 9.596 -1.908 673 HE ARG 86 HE ARG 86 -0.752 8.939 -4.625 674 HH11 ARG 86 HH11 ARG 86 -1.267 11.213 -2.029 675 HH12 ARG 86 HH12 ARG 86 -1.696 12.515 -3.086 676 HH21 ARG 86 HH21 ARG 86 -1.316 10.650 -6.018 677 HH22 ARG 86 HH22 ARG 86 -1.724 12.196 -5.351 678 H HIS 87 HN HIS 87 -0.711 3.456 -2.935 679 HA HIS 87 HA HIS 87 -2.760 2.751 -4.900 680 HB2 HIS 87 HB2 HIS 87 -0.845 0.651 -3.905 681 HB3 HIS 87 HB1 HIS 87 -1.979 0.550 -5.246 682 HD1 HIS 87 HD1 HIS 87 -1.159 1.281 -7.520 683 HD2 HIS 87 HD2 HIS 87 1.513 2.182 -4.467 684 HE1 HIS 87 HE1 HIS 87 0.949 2.029 -8.670 685 HE2 HIS 87 HE2 HIS 87 2.577 2.492 -6.804 686 H MET 88 HN MET 88 -4.594 2.285 -3.899 687 HA MET 88 HA MET 88 -4.481 1.439 -1.077 688 HB2 MET 88 HB2 MET 88 -5.722 3.616 -2.015 689 HB3 MET 88 HB1 MET 88 -7.013 2.448 -2.257 690 HG2 MET 88 HG2 MET 88 -5.601 2.754 0.367 691 HG3 MET 88 HG1 MET 88 -6.998 3.732 -0.073 692 HE1 MET 88 HE1 MET 88 -8.385 3.104 1.869 693 HE2 MET 88 HE2 MET 88 -7.259 1.981 2.638 694 HE3 MET 88 HE3 MET 88 -8.919 1.487 2.308 695 H PHE 89 HN PHE 89 -4.667 -0.711 -0.968 696 HA PHE 89 HA PHE 89 -6.404 -2.112 -2.850 697 HB2 PHE 89 HB2 PHE 89 -3.966 -2.752 -1.551 698 HB3 PHE 89 HB1 PHE 89 -5.181 -3.877 -0.954 699 HD1 PHE 89 HD2 PHE 89 -6.846 -4.605 -3.025 700 HD2 PHE 89 HD1 PHE 89 -2.723 -3.580 -3.283 701 HE1 PHE 89 HE2 PHE 89 -6.656 -5.906 -5.103 702 HE2 PHE 89 HE1 PHE 89 -2.530 -4.875 -5.366 703 HZ PHE 89 HZ PHE 89 -4.503 -6.033 -6.274 704 H SER 90 HN SER 90 -8.247 -3.211 -2.263 705 HA SER 90 HA SER 90 -8.986 -3.237 0.570 706 HB2 SER 90 HB2 SER 90 -9.861 -1.165 -0.761 707 HB3 SER 90 HB1 SER 90 -11.010 -2.320 -1.439 708 HG SER 90 HG SER 90 -12.069 -1.761 0.319 709 H PHE 91 HN PHE 91 -9.828 -5.123 1.143 710 HA PHE 91 HA PHE 91 -11.230 -6.707 -0.893 711 HB2 PHE 91 HB2 PHE 91 -10.155 -8.576 0.907 712 HB3 PHE 91 HB1 PHE 91 -9.707 -8.330 -0.774 713 HD1 PHE 91 HD2 PHE 91 -8.109 -5.969 -0.844 714 HD2 PHE 91 HD1 PHE 91 -8.344 -8.930 2.199 715 HE1 PHE 91 HE2 PHE 91 -5.821 -5.420 -0.134 716 HE2 PHE 91 HE1 PHE 91 -6.057 -8.397 2.896 717 HZ PHE 91 HZ PHE 91 -4.788 -6.640 1.733 718 H ASN 92 HN ASN 92 -12.531 -8.521 0.208 719 HA ASN 92 HA ASN 92 -14.072 -7.250 2.337 720 HB2 ASN 92 HB2 ASN 92 -14.637 -9.453 0.375 721 HB3 ASN 92 HB1 ASN 92 -15.642 -9.255 1.808 722 HD21 ASN 92 HD21 ASN 92 -14.633 -7.846 -1.207 723 HD22 ASN 92 HD22 ASN 92 -15.893 -6.668 -1.308 724 H ASN 93 HN ASN 93 -11.460 -8.566 2.821 725 HA ASN 93 HA ASN 93 -12.392 -10.492 4.833 726 HB2 ASN 93 HB2 ASN 93 -10.279 -10.816 2.773 727 HB3 ASN 93 HB1 ASN 93 -9.941 -11.470 4.373 728 HD21 ASN 93 HD21 ASN 93 -11.508 -12.972 5.267 729 HD22 ASN 93 HD22 ASN 93 -12.384 -14.007 4.197 730 H ARG 94 HN ARG 94 -12.054 -9.679 6.766 731 HA ARG 94 HA ARG 94 -10.009 -7.687 7.225 732 HB2 ARG 94 HB2 ARG 94 -12.228 -7.452 8.255 733 HB3 ARG 94 HB1 ARG 94 -11.980 -8.954 9.134 734 HG2 ARG 94 HG2 ARG 94 -9.800 -7.600 9.923 735 HG3 ARG 94 HG1 ARG 94 -10.911 -6.258 9.645 736 HD2 ARG 94 HD2 ARG 94 -12.526 -7.942 10.992 737 HD3 ARG 94 HD1 ARG 94 -10.969 -8.385 11.691 738 HE ARG 94 HE ARG 94 -11.199 -5.589 11.684 739 HH11 ARG 94 HH11 ARG 94 -12.591 -8.379 13.253 740 HH12 ARG 94 HH12 ARG 94 -12.977 -7.524 14.708 741 HH21 ARG 94 HH21 ARG 94 -11.706 -4.463 13.598 742 HH22 ARG 94 HH22 ARG 94 -12.476 -5.301 14.904 743 H THR 95 HN THR 95 -10.513 -11.078 7.820 744 HA THR 95 HA THR 95 -8.430 -11.356 9.759 745 HB THR 95 HB THR 95 -10.519 -12.903 9.089 746 HG1 THR 95 HG1 THR 95 -9.505 -14.512 10.336 747 HG21 THR 95 HG21 THR 95 -9.636 -13.651 6.951 748 HG22 THR 95 HG22 THR 95 -9.772 -14.987 8.094 749 HG23 THR 95 HG23 THR 95 -8.195 -14.273 7.757 750 H VAL 96 HN VAL 96 -8.719 -12.024 6.295 751 HA VAL 96 HA VAL 96 -6.132 -13.040 5.899 752 HB VAL 96 HB VAL 96 -7.731 -11.474 3.874 753 HG11 VAL 96 HG11 VAL 96 -5.352 -13.233 3.771 754 HG12 VAL 96 HG12 VAL 96 -5.769 -11.827 2.791 755 HG13 VAL 96 HG13 VAL 96 -6.524 -13.386 2.463 756 HG21 VAL 96 HG21 VAL 96 -8.643 -13.688 5.217 757 HG22 VAL 96 HG22 VAL 96 -7.928 -14.382 3.762 758 HG23 VAL 96 HG23 VAL 96 -9.185 -13.153 3.627 759 H MET 97 HN MET 97 -7.378 -9.771 5.178 760 HA MET 97 HA MET 97 -5.104 -8.515 4.373 761 HB2 MET 97 HB2 MET 97 -6.045 -6.444 5.516 762 HB3 MET 97 HB1 MET 97 -7.086 -7.256 4.357 763 HG2 MET 97 HG2 MET 97 -8.637 -7.146 5.939 764 HG3 MET 97 HG1 MET 97 -7.774 -8.483 6.695 765 HE1 MET 97 HE1 MET 97 -7.642 -4.077 7.562 766 HE2 MET 97 HE2 MET 97 -7.449 -4.891 6.008 767 HE3 MET 97 HE3 MET 97 -6.047 -4.621 7.043 768 H ASP 98 HN ASP 98 -6.107 -8.691 7.792 769 HA ASP 98 HA ASP 98 -3.840 -7.420 8.825 770 HB2 ASP 98 HB2 ASP 98 -5.984 -9.154 9.940 771 HB3 ASP 98 HB1 ASP 98 -4.534 -8.934 10.916 772 H ASN 99 HN ASN 99 -4.244 -10.628 7.636 773 HA ASN 99 HA ASN 99 -1.982 -11.712 9.061 774 HB2 ASN 99 HB2 ASN 99 -4.185 -12.786 7.694 775 HB3 ASN 99 HB1 ASN 99 -2.775 -13.270 6.756 776 HD21 ASN 99 HD21 ASN 99 -4.743 -14.554 8.765 777 HD22 ASN 99 HD22 ASN 99 -3.700 -15.476 9.788 778 H ILE 100 HN ILE 100 -2.641 -10.440 5.841 779 HA ILE 100 HA ILE 100 0.020 -11.122 4.918 780 HB ILE 100 HB ILE 100 -1.986 -11.241 3.426 781 HG12 ILE 100 HG12 ILE 100 0.385 -9.545 2.648 782 HG13 ILE 100 HG11 ILE 100 0.170 -11.276 2.410 783 HG21 ILE 100 HG21 ILE 100 -3.317 -9.502 3.074 784 HG22 ILE 100 HG22 ILE 100 -1.953 -8.475 2.633 785 HG23 ILE 100 HG23 ILE 100 -2.424 -8.638 4.325 786 HD11 ILE 100 HD11 ILE 100 -0.077 -9.983 0.336 787 HD12 ILE 100 HD12 ILE 100 -1.447 -9.131 1.051 788 HD13 ILE 100 HD13 ILE 100 -1.543 -10.869 0.758 789 H LYS 101 HN LYS 101 -1.661 -8.299 6.143 790 HA LYS 101 HA LYS 101 0.207 -6.379 5.223 791 HB2 LYS 101 HB2 LYS 101 -1.019 -4.837 6.487 792 HB3 LYS 101 HB1 LYS 101 -2.200 -6.032 6.003 793 HG2 LYS 101 HG2 LYS 101 -2.762 -5.725 8.198 794 HG3 LYS 101 HG1 LYS 101 -1.692 -7.118 8.304 795 HD2 LYS 101 HD2 LYS 101 -1.356 -5.283 10.026 796 HD3 LYS 101 HD1 LYS 101 0.082 -5.818 9.165 797 HE2 LYS 101 HE2 LYS 101 -0.515 -3.845 7.558 798 HE3 LYS 101 HE1 LYS 101 -1.423 -3.246 8.946 799 HZ1 LYS 101 HZ1 LYS 101 1.020 -2.547 8.648 800 HZ2 LYS 101 HZ2 LYS 101 1.384 -4.082 9.258 801 HZ3 LYS 101 HZ3 LYS 101 0.484 -2.994 10.189 802 H MET 102 HN MET 102 -0.140 -8.294 8.125 803 HA MET 102 HA MET 102 1.814 -7.014 9.696 804 HB2 MET 102 HB2 MET 102 0.517 -9.707 9.735 805 HB3 MET 102 HB1 MET 102 1.911 -9.418 10.767 806 HG2 MET 102 HG2 MET 102 0.762 -7.562 11.832 807 HG3 MET 102 HG1 MET 102 -0.626 -7.799 10.771 808 HE1 MET 102 HE1 MET 102 -1.161 -7.439 13.489 809 HE2 MET 102 HE2 MET 102 -1.741 -8.843 14.385 810 HE3 MET 102 HE3 MET 102 -2.551 -8.350 12.898 811 H THR 103 HN THR 103 2.059 -9.433 7.184 812 HA THR 103 HA THR 103 4.854 -9.965 7.780 813 HB THR 103 HB THR 103 3.145 -10.972 5.500 814 HG1 THR 103 HG1 THR 103 2.342 -12.291 6.893 815 HG21 THR 103 HG21 THR 103 4.968 -11.926 4.706 816 HG22 THR 103 HG22 THR 103 5.122 -12.828 6.214 817 HG23 THR 103 HG23 THR 103 5.930 -11.272 6.031 818 H LEU 104 HN LEU 104 2.930 -8.244 5.390 819 HA LEU 104 HA LEU 104 5.230 -7.624 3.765 820 HB2 LEU 104 HB2 LEU 104 3.687 -7.298 2.205 821 HB3 LEU 104 HB1 LEU 104 2.451 -7.667 3.389 822 HG LEU 104 HG LEU 104 2.539 -5.168 3.991 823 HD11 LEU 104 HD11 LEU 104 4.260 -4.117 2.993 824 HD12 LEU 104 HD12 LEU 104 3.156 -4.022 1.621 825 HD13 LEU 104 HD13 LEU 104 4.367 -5.302 1.692 826 HD21 LEU 104 HD21 LEU 104 1.278 -4.746 1.654 827 HD22 LEU 104 HD22 LEU 104 0.567 -5.640 2.998 828 HD23 LEU 104 HD23 LEU 104 1.323 -6.509 1.662 829 H GLN 105 HN GLN 105 3.365 -6.060 6.283 830 HA GLN 105 HA GLN 105 4.342 -3.434 5.886 831 HB2 GLN 105 HB2 GLN 105 2.338 -3.946 7.236 832 HB3 GLN 105 HB1 GLN 105 3.361 -4.712 8.443 833 HG2 GLN 105 HG2 GLN 105 4.501 -2.231 8.158 834 HG3 GLN 105 HG1 GLN 105 2.777 -1.900 8.002 835 HE21 GLN 105 HE21 GLN 105 2.019 -1.217 9.859 836 HE22 GLN 105 HE22 GLN 105 2.380 -1.875 11.416 837 H GLN 106 HN GLN 106 5.257 -5.887 8.308 838 HA GLN 106 HA GLN 106 7.308 -4.623 9.574 839 HB2 GLN 106 HB2 GLN 106 8.298 -6.850 9.974 840 HB3 GLN 106 HB1 GLN 106 6.559 -6.832 10.232 841 HG2 GLN 106 HG2 GLN 106 6.208 -7.861 8.057 842 HG3 GLN 106 HG1 GLN 106 7.946 -7.847 7.761 843 HE21 GLN 106 HE21 GLN 106 9.225 -9.379 8.689 844 HE22 GLN 106 HE22 GLN 106 8.612 -10.720 9.589 845 H ILE 107 HN ILE 107 7.480 -6.297 6.459 846 HA ILE 107 HA ILE 107 10.208 -6.189 6.041 847 HB ILE 107 HB ILE 107 7.844 -6.660 4.443 848 HG12 ILE 107 HG12 ILE 107 10.679 -7.527 3.941 849 HG13 ILE 107 HG11 ILE 107 9.690 -8.210 5.230 850 HG21 ILE 107 HG21 ILE 107 10.129 -5.238 3.092 851 HG22 ILE 107 HG22 ILE 107 8.441 -4.731 3.161 852 HG23 ILE 107 HG23 ILE 107 8.893 -6.167 2.243 853 HD11 ILE 107 HD11 ILE 107 8.711 -8.196 2.404 854 HD12 ILE 107 HD12 ILE 107 8.234 -9.238 3.746 855 HD13 ILE 107 HD13 ILE 107 9.811 -9.447 2.982 856 H ILE 108 HN ILE 108 7.776 -3.677 5.586 857 HA ILE 108 HA ILE 108 9.369 -1.890 4.122 858 HB ILE 108 HB ILE 108 7.268 -1.085 6.122 859 HG12 ILE 108 HG12 ILE 108 6.261 -2.740 4.690 860 HG13 ILE 108 HG11 ILE 108 5.696 -1.154 4.174 861 HG21 ILE 108 HG21 ILE 108 7.557 0.385 3.609 862 HG22 ILE 108 HG22 ILE 108 8.971 0.456 4.661 863 HG23 ILE 108 HG23 ILE 108 7.396 0.978 5.262 864 HD11 ILE 108 HD11 ILE 108 7.122 -1.176 2.278 865 HD12 ILE 108 HD12 ILE 108 6.289 -2.730 2.331 866 HD13 ILE 108 HD13 ILE 108 7.968 -2.611 2.856 867 H SER 109 HN SER 109 8.606 -1.863 7.559 868 HA SER 109 HA SER 109 10.449 0.103 8.301 869 HB2 SER 109 HB2 SER 109 8.555 -0.732 9.717 870 HB3 SER 109 HB1 SER 109 9.488 -2.197 10.021 871 HG SER 109 HG SER 109 11.085 -0.907 10.992 872 H ARG 110 HN ARG 110 10.783 -3.366 7.878 873 HA ARG 110 HA ARG 110 13.377 -3.537 9.049 874 HB2 ARG 110 HB2 ARG 110 13.106 -5.749 8.782 875 HB3 ARG 110 HB1 ARG 110 11.482 -5.369 8.236 876 HG2 ARG 110 HG2 ARG 110 12.334 -5.306 5.907 877 HG3 ARG 110 HG1 ARG 110 13.907 -5.826 6.511 878 HD2 ARG 110 HD2 ARG 110 11.523 -7.428 7.268 879 HD3 ARG 110 HD1 ARG 110 12.101 -7.546 5.608 880 HE ARG 110 HE ARG 110 14.007 -8.616 6.360 881 HH11 ARG 110 HH11 ARG 110 12.142 -7.455 9.077 882 HH12 ARG 110 HH12 ARG 110 13.046 -8.363 10.241 883 HH21 ARG 110 HH21 ARG 110 15.192 -9.807 7.893 884 HH22 ARG 110 HH22 ARG 110 14.776 -9.697 9.571 885 H TYR 111 HN TYR 111 12.167 -3.293 5.717 886 HA TYR 111 HA TYR 111 14.740 -3.312 4.517 887 HB2 TYR 111 HB2 TYR 111 11.969 -2.695 3.622 888 HB3 TYR 111 HB1 TYR 111 13.293 -2.091 2.634 889 HD1 TYR 111 HD2 TYR 111 14.019 -5.160 4.369 890 HD2 TYR 111 HD1 TYR 111 12.248 -3.548 0.851 891 HE1 TYR 111 HE2 TYR 111 14.205 -7.355 3.276 892 HE2 TYR 111 HE1 TYR 111 12.429 -5.739 -0.250 893 HH TYR 111 HH TYR 111 14.350 -8.188 0.832 894 H LYS 112 HN LYS 112 12.475 -0.658 5.219 895 HA LYS 112 HA LYS 112 13.936 1.470 4.268 896 HB2 LYS 112 HB2 LYS 112 12.140 1.271 6.680 897 HB3 LYS 112 HB1 LYS 112 12.804 2.797 6.117 898 HG2 LYS 112 HG2 LYS 112 10.879 0.981 4.699 899 HG3 LYS 112 HG1 LYS 112 10.615 2.635 5.249 900 HD2 LYS 112 HD2 LYS 112 11.033 3.092 3.066 901 HD3 LYS 112 HD1 LYS 112 12.705 3.048 3.631 902 HE2 LYS 112 HE2 LYS 112 12.862 1.650 1.831 903 HE3 LYS 112 HE1 LYS 112 12.462 0.482 3.090 904 HZ1 LYS 112 HZ1 LYS 112 10.089 0.778 2.408 905 HZ2 LYS 112 HZ2 LYS 112 11.071 0.032 1.251 906 HZ3 LYS 112 HZ3 LYS 112 10.638 1.657 1.070 907 H ASP 113 HN ASP 113 14.450 -0.399 7.157 908 HA ASP 113 HA ASP 113 16.221 1.405 8.440 909 HB2 ASP 113 HB2 ASP 113 15.453 -1.450 8.811 910 HB3 ASP 113 HB1 ASP 113 16.922 -0.874 9.594 911 H ALA 114 HN ALA 114 16.618 -0.412 5.662 912 HA ALA 114 HA ALA 114 19.540 -0.239 5.926 913 HB1 ALA 114 HB1 ALA 114 19.903 -2.377 5.197 914 HB2 ALA 114 HB2 ALA 114 18.364 -2.465 4.340 915 HB3 ALA 114 HB3 ALA 114 18.404 -2.601 6.098 916 H ASP 115 HN ASP 115 16.843 -0.645 3.640 917 HA ASP 115 HA ASP 115 18.215 0.012 1.304 918 HB2 ASP 115 HB2 ASP 115 15.312 0.385 2.056 919 HB3 ASP 115 HB1 ASP 115 15.935 0.666 0.432 920 H2 PRO 59 HT1 PRO 59 -23.280 10.240 -7.136 921 H3 PRO 59 HT2 PRO 59 -23.064 8.948 -8.132 922 HA PRO 59 HA PRO 59 -22.248 7.719 -6.665 923 HB2 PRO 59 HB2 PRO 59 -20.809 9.334 -4.839 924 HB3 PRO 59 HB1 PRO 59 -20.147 8.269 -6.085 925 HG2 PRO 59 HG2 PRO 59 -20.657 11.195 -6.172 926 HG3 PRO 59 HG1 PRO 59 -19.390 10.247 -6.972 927 HD2 PRO 59 HD2 PRO 59 -21.450 11.207 -8.366 928 HD3 PRO 59 HD1 PRO 59 -20.806 9.590 -8.707 929 H GLY 60 HN GLY 60 -22.848 7.098 -4.526 930 HA2 GLY 60 HA2 GLY 60 -23.903 8.716 -2.542 931 HA3 GLY 60 HA1 GLY 60 -25.243 8.330 -3.610 932 H GLU 61 HN GLU 61 -24.953 5.781 -4.276 933 HA GLU 61 HA GLU 61 -25.097 4.399 -1.689 934 HB2 GLU 61 HB2 GLU 61 -26.455 2.722 -2.851 935 HB3 GLU 61 HB1 GLU 61 -27.139 4.331 -3.032 936 HG2 GLU 61 HG2 GLU 61 -25.301 3.571 -5.173 937 HG3 GLU 61 HG1 GLU 61 -26.734 2.552 -5.051 938 H GLU 62 HN GLU 62 -22.555 4.895 -2.760 939 HA GLU 62 HA GLU 62 -21.716 2.217 -3.656 940 HB2 GLU 62 HB2 GLU 62 -21.268 4.497 -4.991 941 HB3 GLU 62 HB1 GLU 62 -19.871 4.530 -3.925 942 HG2 GLU 62 HG2 GLU 62 -18.884 2.755 -4.927 943 HG3 GLU 62 HG1 GLU 62 -20.419 1.994 -5.344 944 H GLU 63 HN GLU 63 -19.178 2.037 -3.086 945 HA GLU 63 HA GLU 63 -18.602 2.985 -0.408 946 HB2 GLU 63 HB2 GLU 63 -18.856 0.034 -1.010 947 HB3 GLU 63 HB1 GLU 63 -18.221 0.710 0.482 948 HG2 GLU 63 HG2 GLU 63 -20.379 1.750 0.936 949 HG3 GLU 63 HG1 GLU 63 -21.020 1.070 -0.559 950 H ASP 64 HN ASP 64 -16.484 1.362 0.225 951 HA ASP 64 HA ASP 64 -14.264 1.062 -0.155 952 HB2 ASP 64 HB2 ASP 64 -15.457 -0.152 -2.248 953 HB3 ASP 64 HB1 ASP 64 -14.530 1.074 -3.109 954 H ASP 65 HN ASP 65 -15.575 3.752 -0.271 955 HA ASP 65 HA ASP 65 -13.298 5.312 -0.707 956 HB2 ASP 65 HB2 ASP 65 -14.231 4.604 -3.131 957 HB3 ASP 65 HB1 ASP 65 -15.214 6.039 -2.855 958 H GLU 66 HN GLU 66 -15.320 5.048 1.215 959 HA GLU 66 HA GLU 66 -15.906 7.726 1.783 960 HB2 GLU 66 HB2 GLU 66 -18.250 7.890 1.411 961 HB3 GLU 66 HB1 GLU 66 -17.536 7.322 -0.091 962 HG2 GLU 66 HG2 GLU 66 -18.171 4.998 1.269 963 HG3 GLU 66 HG1 GLU 66 -19.522 6.080 1.603 964 H ARG 67 HN ARG 67 -16.546 4.335 2.314 965 HA ARG 67 HA ARG 67 -16.722 4.857 5.158 966 HB2 ARG 67 HB2 ARG 67 -18.642 3.056 3.689 967 HB3 ARG 67 HB1 ARG 67 -18.574 3.271 5.432 968 HG2 ARG 67 HG2 ARG 67 -19.198 5.458 3.461 969 HG3 ARG 67 HG1 ARG 67 -20.402 4.531 4.357 970 HD2 ARG 67 HD2 ARG 67 -18.624 5.418 6.298 971 HD3 ARG 67 HD1 ARG 67 -18.792 6.787 5.201 972 HE ARG 67 HE ARG 67 -20.788 5.732 6.978 973 HH11 ARG 67 HH11 ARG 67 -20.237 7.559 4.056 974 HH12 ARG 67 HH12 ARG 67 -21.753 8.393 4.143 975 HH21 ARG 67 HH21 ARG 67 -22.782 6.826 7.093 976 HH22 ARG 67 HH22 ARG 67 -23.198 7.977 5.867 977 H GLY 68 HN GLY 68 -16.503 2.414 2.654 978 HA2 GLY 68 HA2 GLY 68 -15.088 0.619 4.433 979 HA3 GLY 68 HA1 GLY 68 -15.628 0.243 2.809 980 H ALA 69 HN ALA 69 -14.036 3.250 3.062 981 HA ALA 69 HA ALA 69 -11.381 2.187 2.628 982 HB1 ALA 69 HB1 ALA 69 -12.665 3.754 0.407 983 HB2 ALA 69 HB2 ALA 69 -12.534 1.995 0.420 984 HB3 ALA 69 HB3 ALA 69 -11.076 2.989 0.410 985 H ASP 70 HN ASP 70 -12.138 3.805 4.694 986 HA ASP 70 HA ASP 70 -10.484 6.113 4.214 987 HB2 ASP 70 HB2 ASP 70 -12.679 6.887 3.407 988 HB3 ASP 70 HB1 ASP 70 -13.375 6.530 4.985 989 H ALA 71 HN ALA 71 -9.982 4.032 5.909 990 HA ALA 71 HA ALA 71 -10.004 5.407 8.483 991 HB1 ALA 71 HB1 ALA 71 -11.295 2.753 8.001 992 HB2 ALA 71 HB2 ALA 71 -11.882 4.135 8.925 993 HB3 ALA 71 HB3 ALA 71 -10.590 3.128 9.578 994 H THR 72 HN THR 72 -8.188 4.011 6.190 995 HA THR 72 HA THR 72 -6.370 2.659 8.042 996 HB THR 72 HB THR 72 -5.451 2.852 5.283 997 HG1 THR 72 HG1 THR 72 -7.041 1.432 4.481 998 HG21 THR 72 HG21 THR 72 -4.380 1.210 6.459 999 HG22 THR 72 HG22 THR 72 -5.614 0.285 5.602 1000 HG23 THR 72 HG23 THR 72 -5.846 0.707 7.299 1001 H TRP 73 HN TRP 73 -6.943 5.705 7.315 1002 HA TRP 73 HA TRP 73 -4.186 6.537 6.854 1003 HB2 TRP 73 HB2 TRP 73 -6.414 8.490 7.260 1004 HB3 TRP 73 HB1 TRP 73 -5.030 8.582 6.174 1005 HD1 TRP 73 HD1 TRP 73 -8.316 8.841 5.497 1006 HE1 TRP 73 HE1 TRP 73 -9.177 7.468 3.494 1007 HE3 TRP 73 HE3 TRP 73 -4.528 5.478 5.162 1008 HZ2 TRP 73 HZ2 TRP 73 -8.326 5.224 1.974 1009 HZ3 TRP 73 HZ3 TRP 73 -4.598 3.755 3.411 1010 HH2 TRP 73 HH2 TRP 73 -6.459 3.637 1.866 1011 H ASP 74 HN ASP 74 -4.880 5.221 9.301 1012 HA ASP 74 HA ASP 74 -3.680 6.983 11.145 1013 HB2 ASP 74 HB2 ASP 74 -6.217 7.696 10.906 1014 HB3 ASP 74 HB1 ASP 74 -6.483 6.324 11.977 1015 H LEU 75 HN LEU 75 -2.562 4.808 10.811 1016 HA LEU 75 HA LEU 75 -2.902 3.331 13.183 1017 HB2 LEU 75 HB2 LEU 75 -3.350 1.115 12.249 1018 HB3 LEU 75 HB1 LEU 75 -4.689 2.225 12.070 1019 HG LEU 75 HG LEU 75 -4.422 0.814 10.114 1020 HD11 LEU 75 HD11 LEU 75 -5.269 3.139 9.902 1021 HD12 LEU 75 HD12 LEU 75 -4.552 2.476 8.430 1022 HD13 LEU 75 HD13 LEU 75 -3.645 3.625 9.417 1023 HD21 LEU 75 HD21 LEU 75 -1.978 2.125 9.185 1024 HD22 LEU 75 HD22 LEU 75 -2.513 0.451 9.003 1025 HD23 LEU 75 HD23 LEU 75 -1.766 0.981 10.511 1026 H ASP 76 HN ASP 76 -1.319 3.748 10.136 1027 HA ASP 76 HA ASP 76 1.051 2.381 11.218 1028 HB2 ASP 76 HB2 ASP 76 -0.136 1.703 8.928 1029 HB3 ASP 76 HB1 ASP 76 0.850 3.022 8.309 1030 H LEU 77 HN LEU 77 2.568 3.728 8.905 1031 HA LEU 77 HA LEU 77 3.857 5.566 8.602 1032 HB2 LEU 77 HB2 LEU 77 1.288 6.709 9.591 1033 HB3 LEU 77 HB1 LEU 77 2.687 7.768 9.518 1034 HG LEU 77 HG LEU 77 2.747 6.593 7.045 1035 HD11 LEU 77 HD11 LEU 77 0.292 5.852 7.955 1036 HD12 LEU 77 HD12 LEU 77 0.730 6.037 6.257 1037 HD13 LEU 77 HD13 LEU 77 -0.076 7.355 7.109 1038 HD21 LEU 77 HD21 LEU 77 3.076 8.826 6.945 1039 HD22 LEU 77 HD22 LEU 77 1.849 9.173 8.163 1040 HD23 LEU 77 HD23 LEU 77 1.369 8.829 6.501 1041 H LEU 78 HN LEU 78 4.903 4.204 10.489 1042 HA LEU 78 HA LEU 78 6.230 6.007 12.158 1043 HB2 LEU 78 HB2 LEU 78 5.300 4.875 14.341 1044 HB3 LEU 78 HB1 LEU 78 4.521 6.280 13.643 1045 HG LEU 78 HG LEU 78 2.795 4.909 12.658 1046 HD11 LEU 78 HD11 LEU 78 2.708 2.519 12.917 1047 HD12 LEU 78 HD12 LEU 78 4.201 2.529 13.856 1048 HD13 LEU 78 HD13 LEU 78 4.231 2.962 12.147 1049 HD21 LEU 78 HD21 LEU 78 2.911 5.521 15.218 1050 HD22 LEU 78 HD22 LEU 78 2.983 3.768 15.397 1051 HD23 LEU 78 HD23 LEU 78 1.614 4.514 14.574 1052 H LEU 79 HN LEU 79 7.662 4.536 10.842 1053 HA LEU 79 HA LEU 79 8.449 2.273 12.519 1054 HB2 LEU 79 HB2 LEU 79 9.103 1.288 10.089 1055 HB3 LEU 79 HB1 LEU 79 7.644 0.874 10.967 1056 HG LEU 79 HG LEU 79 7.155 3.241 9.443 1057 HD11 LEU 79 HD11 LEU 79 7.903 2.849 7.365 1058 HD12 LEU 79 HD12 LEU 79 7.667 1.107 7.499 1059 HD13 LEU 79 HD13 LEU 79 9.111 1.855 8.180 1060 HD21 LEU 79 HD21 LEU 79 6.124 0.416 9.336 1061 HD22 LEU 79 HD22 LEU 79 5.454 1.740 8.384 1062 HD23 LEU 79 HD23 LEU 79 5.393 1.802 10.145 1063 H THR 80 HN THR 80 9.670 3.348 9.373 1064 HA THR 80 HA THR 80 11.897 4.738 10.486 1065 HB THR 80 HB THR 80 12.765 2.551 10.915 1066 HG1 THR 80 HG1 THR 80 14.231 4.018 9.928 1067 HG21 THR 80 HG21 THR 80 11.455 1.839 8.436 1068 HG22 THR 80 HG22 THR 80 11.986 0.820 9.773 1069 HG23 THR 80 HG23 THR 80 13.124 1.268 8.501 1070 H ASN 81 HN ASN 81 9.861 5.363 8.637 1071 HA ASN 81 HA ASN 81 11.273 5.470 6.065 1072 HB2 ASN 81 HB2 ASN 81 9.098 6.102 5.102 1073 HB3 ASN 81 HB1 ASN 81 8.995 4.577 5.977 1074 HD21 ASN 81 HD21 ASN 81 7.595 7.546 5.514 1075 HD22 ASN 81 HD22 ASN 81 6.596 7.601 6.923 1076 H PHE 82 HN PHE 82 11.121 7.513 4.837 1077 HA PHE 82 HA PHE 82 11.567 9.731 4.613 1078 HB2 PHE 82 HB2 PHE 82 9.499 9.625 6.737 1079 HB3 PHE 82 HB1 PHE 82 10.387 11.137 6.584 1080 HD1 PHE 82 HD1 PHE 82 8.914 8.648 4.220 1081 HD2 PHE 82 HD2 PHE 82 9.279 12.727 5.375 1082 HE1 PHE 82 HE1 PHE 82 7.462 9.305 2.345 1083 HE2 PHE 82 HE2 PHE 82 7.827 13.392 3.504 1084 HZ PHE 82 HZ PHE 82 6.916 11.679 1.986 1085 H SER 83 HN SER 83 13.333 8.033 6.222 1086 HA SER 83 HA SER 83 15.217 8.220 7.482 1087 HB2 SER 83 HB2 SER 83 15.337 10.321 5.888 1088 HB3 SER 83 HB1 SER 83 15.078 11.208 7.389 1089 HG SER 83 HG SER 83 17.221 9.524 6.670 1090 H GLY 84 HN GLY 84 16.096 9.919 9.408 1091 HA2 GLY 84 HA2 GLY 84 14.587 11.129 11.241 1092 HA3 GLY 84 HA1 GLY 84 14.131 9.453 11.506 1093 HA PRO 85 HA PRO 85 17.559 9.088 14.257 1094 HB2 PRO 85 HB2 PRO 85 18.103 6.436 14.073 1095 HB3 PRO 85 HB1 PRO 85 16.683 7.068 14.915 1096 HG2 PRO 85 HG2 PRO 85 16.899 5.930 12.154 1097 HG3 PRO 85 HG1 PRO 85 15.654 5.650 13.385 1098 HD2 PRO 85 HD2 PRO 85 15.295 7.354 11.312 1099 HD3 PRO 85 HD1 PRO 85 14.557 7.620 12.904 Start of MODEL 2 1 H2 PRO 1 HT1 PRO 1 3.101 -14.576 6.984 2 H3 PRO 1 HT2 PRO 1 4.122 -15.391 7.982 3 HA PRO 1 HA PRO 1 3.202 -17.025 7.049 4 HB2 PRO 1 HB2 PRO 1 1.037 -17.428 8.713 5 HB3 PRO 1 HB1 PRO 1 2.721 -17.756 9.144 6 HG2 PRO 1 HG2 PRO 1 1.017 -15.738 10.222 7 HG3 PRO 1 HG1 PRO 1 2.730 -16.011 10.578 8 HD2 PRO 1 HD2 PRO 1 1.471 -14.086 8.673 9 HD3 PRO 1 HD1 PRO 1 2.972 -13.930 9.608 10 H SER 2 HN SER 2 2.231 -14.716 5.642 11 HA SER 2 HA SER 2 0.114 -15.862 4.189 12 HB2 SER 2 HB2 SER 2 -0.897 -14.838 6.464 13 HB3 SER 2 HB1 SER 2 -0.933 -13.391 5.457 14 HG SER 2 HG SER 2 -2.077 -15.904 4.793 15 H HIS 3 HN HIS 3 0.929 -15.284 2.276 16 HA HIS 3 HA HIS 3 1.573 -12.445 1.842 17 HB2 HIS 3 HB2 HIS 3 2.688 -14.796 0.311 18 HB3 HIS 3 HB1 HIS 3 3.190 -13.115 0.181 19 HD1 HIS 3 HD1 HIS 3 3.222 -15.951 2.698 20 HD2 HIS 3 HD2 HIS 3 5.236 -12.418 1.844 21 HE1 HIS 3 HE1 HIS 3 5.166 -15.883 4.292 22 HE2 HIS 3 HE2 HIS 3 6.419 -13.780 3.698 23 H SER 4 HN SER 4 0.160 -15.325 0.431 24 HA SER 4 HA SER 4 -0.891 -13.817 -1.808 25 HB2 SER 4 HB2 SER 4 -1.640 -16.659 -1.163 26 HB3 SER 4 HB1 SER 4 -1.612 -15.850 -2.734 27 HG SER 4 HG SER 4 0.490 -16.168 -2.875 28 H GLY 5 HN GLY 5 -2.850 -13.027 -1.997 29 HA2 GLY 5 HA2 GLY 5 -5.083 -13.944 -0.433 30 HA3 GLY 5 HA1 GLY 5 -4.485 -12.364 0.063 31 H ALA 6 HN ALA 6 -6.927 -12.139 -0.725 32 HA ALA 6 HA ALA 6 -6.864 -11.525 -3.597 33 HB1 ALA 6 HB1 ALA 6 -9.396 -11.397 -3.308 34 HB2 ALA 6 HB2 ALA 6 -9.132 -12.152 -1.735 35 HB3 ALA 6 HB3 ALA 6 -8.644 -12.990 -3.210 36 H ALA 7 HN ALA 7 -7.372 -9.537 -4.365 37 HA ALA 7 HA ALA 7 -8.219 -7.412 -2.589 38 HB1 ALA 7 HB1 ALA 7 -6.322 -6.136 -2.582 39 HB2 ALA 7 HB2 ALA 7 -5.717 -6.833 -4.084 40 HB3 ALA 7 HB3 ALA 7 -5.601 -7.745 -2.580 41 H ILE 8 HN ILE 8 -8.831 -5.466 -3.763 42 HA ILE 8 HA ILE 8 -9.083 -5.942 -6.657 43 HB ILE 8 HB ILE 8 -11.216 -4.814 -4.846 44 HG12 ILE 8 HG12 ILE 8 -11.635 -7.142 -6.644 45 HG13 ILE 8 HG11 ILE 8 -10.660 -7.408 -5.200 46 HG21 ILE 8 HG21 ILE 8 -12.456 -5.096 -7.187 47 HG22 ILE 8 HG22 ILE 8 -10.825 -4.787 -7.785 48 HG23 ILE 8 HG23 ILE 8 -11.621 -3.607 -6.741 49 HD11 ILE 8 HD11 ILE 8 -13.546 -6.849 -5.469 50 HD12 ILE 8 HD12 ILE 8 -12.717 -6.151 -4.077 51 HD13 ILE 8 HD13 ILE 8 -12.689 -7.895 -4.338 52 H PHE 9 HN PHE 9 -8.928 -4.236 -8.007 53 HA PHE 9 HA PHE 9 -8.514 -1.564 -6.892 54 HB2 PHE 9 HB2 PHE 9 -6.290 -2.788 -7.193 55 HB3 PHE 9 HB1 PHE 9 -6.599 -2.707 -8.925 56 HD1 PHE 9 HD1 PHE 9 -7.276 -0.273 -9.757 57 HD2 PHE 9 HD2 PHE 9 -4.995 -1.136 -6.274 58 HE1 PHE 9 HE1 PHE 9 -6.315 1.993 -9.833 59 HE2 PHE 9 HE2 PHE 9 -4.030 1.127 -6.339 60 HZ PHE 9 HZ PHE 9 -4.690 2.695 -8.120 61 H GLU 10 HN GLU 10 -9.074 0.093 -8.288 62 HA GLU 10 HA GLU 10 -10.494 1.038 -9.815 63 HB2 GLU 10 HB2 GLU 10 -9.684 0.798 -12.119 64 HB3 GLU 10 HB1 GLU 10 -8.357 1.030 -10.986 65 HG2 GLU 10 HG2 GLU 10 -7.942 -1.367 -10.990 66 HG3 GLU 10 HG1 GLU 10 -9.253 -1.588 -12.147 67 H LYS 11 HN LYS 11 -11.782 -1.094 -8.697 68 HA LYS 11 HA LYS 11 -13.573 -2.456 -8.974 69 HB2 LYS 11 HB2 LYS 11 -14.138 -1.884 -11.780 70 HB3 LYS 11 HB1 LYS 11 -15.145 -1.647 -10.361 71 HG2 LYS 11 HG2 LYS 11 -13.620 0.410 -9.937 72 HG3 LYS 11 HG1 LYS 11 -13.213 0.232 -11.646 73 HD2 LYS 11 HD2 LYS 11 -15.822 0.112 -11.927 74 HD3 LYS 11 HD1 LYS 11 -15.817 0.946 -10.372 75 HE2 LYS 11 HE2 LYS 11 -13.978 2.023 -12.406 76 HE3 LYS 11 HE1 LYS 11 -15.696 2.195 -12.766 77 HZ1 LYS 11 HZ1 LYS 11 -16.040 3.478 -10.877 78 HZ2 LYS 11 HZ2 LYS 11 -14.555 4.043 -11.457 79 HZ3 LYS 11 HZ3 LYS 11 -14.599 2.984 -10.140 80 H VAL 12 HN VAL 12 -10.779 -3.200 -10.024 81 HA VAL 12 HA VAL 12 -11.659 -5.498 -11.654 82 HB VAL 12 HB VAL 12 -8.896 -4.269 -11.613 83 HG11 VAL 12 HG11 VAL 12 -9.695 -5.996 -13.841 84 HG12 VAL 12 HG12 VAL 12 -9.598 -6.817 -12.284 85 HG13 VAL 12 HG13 VAL 12 -8.195 -5.956 -12.915 86 HG21 VAL 12 HG21 VAL 12 -10.956 -3.019 -12.708 87 HG22 VAL 12 HG22 VAL 12 -10.644 -4.161 -14.015 88 HG23 VAL 12 HG23 VAL 12 -9.374 -3.056 -13.488 89 H SER 13 HN SER 13 -11.614 -7.355 -10.566 90 HA SER 13 HA SER 13 -10.142 -7.507 -8.087 91 HB2 SER 13 HB2 SER 13 -11.370 -10.009 -8.832 92 HB3 SER 13 HB1 SER 13 -11.737 -8.943 -7.477 93 HG SER 13 HG SER 13 -13.548 -9.077 -8.774 94 H GLY 14 HN GLY 14 -8.767 -9.220 -7.515 95 HA2 GLY 14 HA2 GLY 14 -7.599 -11.006 -9.381 96 HA3 GLY 14 HA1 GLY 14 -6.594 -9.574 -9.193 97 H ILE 15 HN ILE 15 -5.242 -11.616 -8.440 98 HA ILE 15 HA ILE 15 -5.695 -11.975 -5.552 99 HB ILE 15 HB ILE 15 -3.735 -13.635 -7.099 100 HG12 ILE 15 HG12 ILE 15 -5.871 -15.273 -7.077 101 HG13 ILE 15 HG11 ILE 15 -6.700 -13.732 -7.272 102 HG21 ILE 15 HG21 ILE 15 -5.238 -13.836 -4.528 103 HG22 ILE 15 HG22 ILE 15 -3.522 -14.105 -4.852 104 HG23 ILE 15 HG23 ILE 15 -4.713 -15.311 -5.340 105 HD11 ILE 15 HD11 ILE 15 -4.404 -14.440 -9.043 106 HD12 ILE 15 HD12 ILE 15 -5.749 -13.337 -9.337 107 HD13 ILE 15 HD13 ILE 15 -6.017 -15.080 -9.360 108 H ILE 16 HN ILE 16 -4.232 -11.304 -4.130 109 HA ILE 16 HA ILE 16 -1.928 -9.820 -5.166 110 HB ILE 16 HB ILE 16 -3.524 -8.523 -3.869 111 HG12 ILE 16 HG12 ILE 16 -1.258 -8.786 -1.954 112 HG13 ILE 16 HG11 ILE 16 -0.888 -8.351 -3.621 113 HG21 ILE 16 HG21 ILE 16 -3.031 -10.575 -1.732 114 HG22 ILE 16 HG22 ILE 16 -4.560 -10.141 -2.501 115 HG23 ILE 16 HG23 ILE 16 -3.762 -9.002 -1.414 116 HD11 ILE 16 HD11 ILE 16 -1.208 -6.263 -2.877 117 HD12 ILE 16 HD12 ILE 16 -2.179 -6.791 -1.502 118 HD13 ILE 16 HD13 ILE 16 -2.916 -6.650 -3.101 119 H ALA 17 HN ALA 17 0.130 -10.480 -4.672 120 HA ALA 17 HA ALA 17 0.534 -12.322 -2.429 121 HB1 ALA 17 HB1 ALA 17 1.573 -12.955 -5.177 122 HB2 ALA 17 HB2 ALA 17 0.089 -13.642 -4.508 123 HB3 ALA 17 HB3 ALA 17 1.641 -13.971 -3.735 124 H ILE 18 HN ILE 18 2.493 -12.189 -1.448 125 HA ILE 18 HA ILE 18 4.300 -10.081 -2.372 126 HB ILE 18 HB ILE 18 4.412 -11.624 0.219 127 HG12 ILE 18 HG12 ILE 18 3.487 -8.798 0.101 128 HG13 ILE 18 HG11 ILE 18 2.351 -10.045 -0.408 129 HG21 ILE 18 HG21 ILE 18 6.474 -10.703 0.164 130 HG22 ILE 18 HG22 ILE 18 5.605 -9.276 0.727 131 HG23 ILE 18 HG23 ILE 18 6.003 -9.449 -0.982 132 HD11 ILE 18 HD11 ILE 18 3.493 -9.493 2.272 133 HD12 ILE 18 HD12 ILE 18 3.071 -11.154 1.857 134 HD13 ILE 18 HD13 ILE 18 1.841 -9.891 1.803 135 H ASN 19 HN ASN 19 6.449 -10.404 -2.793 136 HA ASN 19 HA ASN 19 7.362 -13.201 -3.012 137 HB2 ASN 19 HB2 ASN 19 6.784 -11.724 -5.166 138 HB3 ASN 19 HB1 ASN 19 8.434 -11.172 -4.898 139 HD21 ASN 19 HD21 ASN 19 6.758 -13.189 -6.697 140 HD22 ASN 19 HD22 ASN 19 7.882 -14.488 -6.887 141 H GLU 20 HN GLU 20 8.872 -13.524 -1.561 142 HA GLU 20 HA GLU 20 10.810 -11.380 -1.038 143 HB2 GLU 20 HB2 GLU 20 9.302 -12.617 0.809 144 HB3 GLU 20 HB1 GLU 20 10.656 -13.737 0.765 145 HG2 GLU 20 HG2 GLU 20 12.052 -11.512 0.992 146 HG3 GLU 20 HG1 GLU 20 10.547 -10.922 1.695 147 H ASP 21 HN ASP 21 10.802 -13.215 -3.266 148 HA ASP 21 HA ASP 21 13.152 -14.885 -2.720 149 HB2 ASP 21 HB2 ASP 21 10.898 -15.565 -4.024 150 HB3 ASP 21 HB1 ASP 21 11.842 -14.961 -5.383 151 H VAL 22 HN VAL 22 12.097 -12.048 -4.396 152 HA VAL 22 HA VAL 22 14.615 -11.890 -5.896 153 HB VAL 22 HB VAL 22 13.227 -9.573 -6.486 154 HG11 VAL 22 HG11 VAL 22 14.434 -11.348 -7.923 155 HG12 VAL 22 HG12 VAL 22 13.122 -10.412 -8.642 156 HG13 VAL 22 HG13 VAL 22 12.831 -12.063 -8.094 157 HG21 VAL 22 HG21 VAL 22 11.241 -11.832 -6.263 158 HG22 VAL 22 HG22 VAL 22 10.952 -10.294 -7.077 159 HG23 VAL 22 HG23 VAL 22 11.231 -10.331 -5.336 160 H SER 23 HN SER 23 15.654 -9.653 -5.960 161 HA SER 23 HA SER 23 16.657 -8.976 -3.492 162 HB2 SER 23 HB2 SER 23 16.626 -7.692 -6.143 163 HB3 SER 23 HB1 SER 23 16.902 -6.597 -4.790 164 HG SER 23 HG SER 23 18.340 -9.010 -5.161 165 HA PRO 24 HA PRO 24 13.552 -5.468 -2.787 166 HB2 PRO 24 HB2 PRO 24 11.893 -4.611 -4.698 167 HB3 PRO 24 HB1 PRO 24 13.590 -4.102 -4.669 168 HG2 PRO 24 HG2 PRO 24 12.271 -6.201 -6.347 169 HG3 PRO 24 HG1 PRO 24 13.491 -5.001 -6.812 170 HD2 PRO 24 HD2 PRO 24 14.051 -7.632 -6.214 171 HD3 PRO 24 HD1 PRO 24 15.217 -6.302 -6.076 172 H ALA 25 HN ALA 25 12.667 -7.268 -1.592 173 HA ALA 25 HA ALA 25 10.768 -9.081 -2.360 174 HB1 ALA 25 HB1 ALA 25 10.083 -7.958 0.224 175 HB2 ALA 25 HB2 ALA 25 11.810 -8.284 0.064 176 HB3 ALA 25 HB3 ALA 25 10.639 -9.576 -0.199 177 H GLU 26 HN GLU 26 9.328 -8.386 -3.803 178 HA GLU 26 HA GLU 26 7.440 -6.293 -2.964 179 HB2 GLU 26 HB2 GLU 26 7.068 -5.991 -5.448 180 HB3 GLU 26 HB1 GLU 26 8.628 -5.467 -4.811 181 HG2 GLU 26 HG2 GLU 26 9.755 -6.937 -6.054 182 HG3 GLU 26 HG1 GLU 26 8.608 -8.237 -5.734 183 H LEU 27 HN LEU 27 5.282 -6.461 -4.167 184 HA LEU 27 HA LEU 27 4.434 -9.244 -4.324 185 HB2 LEU 27 HB2 LEU 27 2.380 -8.694 -3.168 186 HB3 LEU 27 HB1 LEU 27 3.750 -8.256 -2.167 187 HG LEU 27 HG LEU 27 3.411 -5.880 -3.178 188 HD11 LEU 27 HD11 LEU 27 1.099 -7.340 -4.193 189 HD12 LEU 27 HD12 LEU 27 1.773 -5.790 -4.694 190 HD13 LEU 27 HD13 LEU 27 0.674 -5.869 -3.319 191 HD21 LEU 27 HD21 LEU 27 2.781 -7.013 -0.820 192 HD22 LEU 27 HD22 LEU 27 1.178 -6.514 -1.360 193 HD23 LEU 27 HD23 LEU 27 2.468 -5.321 -1.206 194 H THR 28 HN THR 28 2.899 -9.702 -5.913 195 HA THR 28 HA THR 28 2.175 -7.395 -7.574 196 HB THR 28 HB THR 28 2.992 -10.122 -8.514 197 HG1 THR 28 HG1 THR 28 4.611 -8.937 -9.573 198 HG21 THR 28 HG21 THR 28 1.121 -9.265 -9.871 199 HG22 THR 28 HG22 THR 28 2.632 -9.421 -10.768 200 HG23 THR 28 HG23 THR 28 2.089 -7.834 -10.222 201 H TRP 29 HN TRP 29 0.253 -7.394 -8.594 202 HA TRP 29 HA TRP 29 -1.750 -9.206 -7.423 203 HB2 TRP 29 HB2 TRP 29 -1.890 -6.893 -6.657 204 HB3 TRP 29 HB1 TRP 29 -1.991 -6.335 -8.322 205 HD1 TRP 29 HD1 TRP 29 -4.050 -8.058 -5.614 206 HE1 TRP 29 HE1 TRP 29 -6.527 -7.912 -6.266 207 HE3 TRP 29 HE3 TRP 29 -3.522 -6.161 -10.336 208 HZ2 TRP 29 HZ2 TRP 29 -8.063 -7.101 -8.480 209 HZ3 TRP 29 HZ3 TRP 29 -5.570 -5.734 -11.650 210 HH2 TRP 29 HH2 TRP 29 -7.783 -6.195 -10.745 211 H ARG 30 HN ARG 30 -2.349 -10.683 -8.906 212 HA ARG 30 HA ARG 30 -2.606 -9.846 -11.709 213 HB2 ARG 30 HB2 ARG 30 -1.250 -11.923 -10.917 214 HB3 ARG 30 HB1 ARG 30 -2.827 -12.686 -10.768 215 HG2 ARG 30 HG2 ARG 30 -3.244 -12.084 -13.163 216 HG3 ARG 30 HG1 ARG 30 -1.557 -11.573 -13.256 217 HD2 ARG 30 HD2 ARG 30 -1.272 -14.028 -12.164 218 HD3 ARG 30 HD1 ARG 30 -2.720 -14.278 -13.139 219 HE ARG 30 HE ARG 30 -1.411 -14.211 -15.004 220 HH11 ARG 30 HH11 ARG 30 0.333 -12.704 -12.384 221 HH12 ARG 30 HH12 ARG 30 1.791 -12.513 -13.299 222 HH21 ARG 30 HH21 ARG 30 0.506 -13.962 -16.208 223 HH22 ARG 30 HH22 ARG 30 1.889 -13.227 -15.470 224 H SER 31 HN SER 31 -4.556 -9.517 -12.570 225 HA SER 31 HA SER 31 -6.924 -9.547 -11.149 226 HB2 SER 31 HB2 SER 31 -6.213 -9.430 -14.031 227 HB3 SER 31 HB1 SER 31 -7.888 -9.824 -13.643 228 HG SER 31 HG SER 31 -7.341 -7.521 -13.867 229 H THR 32 HN THR 32 -8.741 -10.923 -11.125 230 HA THR 32 HA THR 32 -8.128 -13.682 -10.960 231 HB THR 32 HB THR 32 -10.923 -13.441 -11.088 232 HG1 THR 32 HG1 THR 32 -9.867 -11.318 -9.548 233 HG21 THR 32 HG21 THR 32 -10.648 -14.588 -9.226 234 HG22 THR 32 HG22 THR 32 -10.162 -13.103 -8.407 235 HG23 THR 32 HG23 THR 32 -8.945 -14.134 -9.160 236 H ASP 33 HN ASP 33 -9.551 -11.677 -13.407 237 HA ASP 33 HA ASP 33 -10.409 -13.881 -15.030 238 HB2 ASP 33 HB2 ASP 33 -11.360 -11.426 -14.889 239 HB3 ASP 33 HB1 ASP 33 -10.136 -11.113 -16.116 240 H GLY 34 HN GLY 34 -7.535 -12.070 -14.595 241 HA2 GLY 34 HA2 GLY 34 -5.434 -12.575 -15.468 242 HA3 GLY 34 HA1 GLY 34 -6.201 -13.648 -16.630 243 H ASP 35 HN ASP 35 -7.381 -10.414 -16.252 244 HA ASP 35 HA ASP 35 -6.387 -9.794 -18.913 245 HB2 ASP 35 HB2 ASP 35 -8.170 -8.112 -19.009 246 HB3 ASP 35 HB1 ASP 35 -8.815 -9.709 -18.641 247 H LYS 36 HN LYS 36 -5.240 -9.342 -15.965 248 HA LYS 36 HA LYS 36 -3.604 -7.183 -16.650 249 HB2 LYS 36 HB2 LYS 36 -4.735 -5.361 -16.084 250 HB3 LYS 36 HB1 LYS 36 -6.149 -6.357 -15.782 251 HG2 LYS 36 HG2 LYS 36 -5.558 -6.573 -13.459 252 HG3 LYS 36 HG1 LYS 36 -4.038 -5.718 -13.733 253 HD2 LYS 36 HD2 LYS 36 -5.875 -3.953 -14.727 254 HD3 LYS 36 HD1 LYS 36 -6.751 -4.673 -13.375 255 HE2 LYS 36 HE2 LYS 36 -4.264 -4.218 -12.308 256 HE3 LYS 36 HE1 LYS 36 -4.479 -2.836 -13.381 257 HZ1 LYS 36 HZ1 LYS 36 -6.857 -2.942 -12.157 258 HZ2 LYS 36 HZ2 LYS 36 -5.565 -1.986 -11.632 259 HZ3 LYS 36 HZ3 LYS 36 -5.846 -3.493 -10.918 260 H VAL 37 HN VAL 37 -2.046 -6.703 -15.109 261 HA VAL 37 HA VAL 37 -2.098 -8.121 -12.570 262 HB VAL 37 HB VAL 37 -1.093 -9.776 -14.010 263 HG11 VAL 37 HG11 VAL 37 0.916 -7.673 -14.801 264 HG12 VAL 37 HG12 VAL 37 -0.412 -8.246 -15.812 265 HG13 VAL 37 HG13 VAL 37 0.880 -9.351 -15.342 266 HG21 VAL 37 HG21 VAL 37 -0.142 -9.626 -11.799 267 HG22 VAL 37 HG22 VAL 37 0.965 -8.357 -12.322 268 HG23 VAL 37 HG23 VAL 37 1.137 -9.994 -12.956 269 H HIS 38 HN HIS 38 -1.412 -6.736 -11.040 270 HA HIS 38 HA HIS 38 0.415 -4.582 -11.872 271 HB2 HIS 38 HB2 HIS 38 -1.879 -3.899 -11.106 272 HB3 HIS 38 HB1 HIS 38 -1.476 -4.538 -9.516 273 HD1 HIS 38 HD1 HIS 38 -1.229 -2.502 -8.111 274 HD2 HIS 38 HD2 HIS 38 0.768 -2.151 -11.737 275 HE1 HIS 38 HE1 HIS 38 0.033 -0.332 -7.975 276 HE2 HIS 38 HE2 HIS 38 1.163 -0.098 -10.215 277 H THR 39 HN THR 39 2.392 -5.040 -11.299 278 HA THR 39 HA THR 39 3.016 -6.533 -8.838 279 HB THR 39 HB THR 39 4.731 -5.538 -11.143 280 HG1 THR 39 HG1 THR 39 3.450 -7.304 -11.685 281 HG21 THR 39 HG21 THR 39 6.167 -7.497 -9.870 282 HG22 THR 39 HG22 THR 39 5.528 -6.532 -8.539 283 HG23 THR 39 HG23 THR 39 6.484 -5.763 -9.805 284 H VAL 40 HN VAL 40 3.009 -5.219 -7.065 285 HA VAL 40 HA VAL 40 4.033 -2.487 -7.304 286 HB VAL 40 HB VAL 40 2.739 -3.799 -4.909 287 HG11 VAL 40 HG11 VAL 40 2.637 -0.886 -5.219 288 HG12 VAL 40 HG12 VAL 40 4.258 -1.537 -4.973 289 HG13 VAL 40 HG13 VAL 40 2.987 -1.866 -3.795 290 HG21 VAL 40 HG21 VAL 40 1.602 -2.627 -7.341 291 HG22 VAL 40 HG22 VAL 40 0.941 -1.972 -5.843 292 HG23 VAL 40 HG23 VAL 40 0.872 -3.707 -6.152 293 H VAL 41 HN VAL 41 6.182 -2.278 -7.046 294 HA VAL 41 HA VAL 41 7.702 -4.217 -5.635 295 HB VAL 41 HB VAL 41 8.699 -1.500 -6.439 296 HG11 VAL 41 HG11 VAL 41 10.587 -2.219 -5.495 297 HG12 VAL 41 HG12 VAL 41 10.666 -3.488 -6.715 298 HG13 VAL 41 HG13 VAL 41 9.882 -3.803 -5.166 299 HG21 VAL 41 HG21 VAL 41 8.148 -2.157 -8.526 300 HG22 VAL 41 HG22 VAL 41 8.001 -3.853 -8.064 301 HG23 VAL 41 HG23 VAL 41 9.592 -3.160 -8.381 302 H LEU 42 HN LEU 42 7.388 -4.417 -3.544 303 HA LEU 42 HA LEU 42 6.615 -2.546 -1.678 304 HB2 LEU 42 HB2 LEU 42 8.118 -5.091 -1.609 305 HB3 LEU 42 HB1 LEU 42 8.182 -4.108 -0.164 306 HG LEU 42 HG LEU 42 5.691 -4.153 -0.079 307 HD11 LEU 42 HD11 LEU 42 5.803 -4.937 -2.677 308 HD12 LEU 42 HD12 LEU 42 4.401 -5.132 -1.629 309 HD13 LEU 42 HD13 LEU 42 5.520 -6.476 -1.864 310 HD21 LEU 42 HD21 LEU 42 5.786 -6.862 0.190 311 HD22 LEU 42 HD22 LEU 42 6.336 -5.707 1.405 312 HD23 LEU 42 HD23 LEU 42 7.495 -6.434 0.290 313 H SER 43 HN SER 43 9.685 -2.961 -3.199 314 HA SER 43 HA SER 43 11.340 -1.706 -1.308 315 HB2 SER 43 HB2 SER 43 12.908 -2.324 -2.790 316 HB3 SER 43 HB1 SER 43 11.636 -2.790 -3.916 317 HG SER 43 HG SER 43 11.685 -0.725 -4.782 318 H THR 44 HN THR 44 9.683 -0.476 -4.148 319 HA THR 44 HA THR 44 10.393 2.237 -3.712 320 HB THR 44 HB THR 44 8.246 2.481 -5.261 321 HG1 THR 44 HG1 THR 44 7.736 0.217 -4.936 322 HG21 THR 44 HG21 THR 44 9.590 2.067 -7.241 323 HG22 THR 44 HG22 THR 44 10.795 1.239 -6.254 324 HG23 THR 44 HG23 THR 44 10.502 2.964 -6.027 325 H ILE 45 HN ILE 45 8.082 0.091 -2.357 326 HA ILE 45 HA ILE 45 6.273 2.191 -1.484 327 HB ILE 45 HB ILE 45 6.339 -0.703 -0.622 328 HG12 ILE 45 HG12 ILE 45 6.055 -0.431 -3.076 329 HG13 ILE 45 HG11 ILE 45 4.628 -1.104 -2.297 330 HG21 ILE 45 HG21 ILE 45 4.134 -0.366 0.192 331 HG22 ILE 45 HG22 ILE 45 4.039 1.238 -0.537 332 HG23 ILE 45 HG23 ILE 45 5.118 0.952 0.829 333 HD11 ILE 45 HD11 ILE 45 3.422 0.471 -3.267 334 HD12 ILE 45 HD12 ILE 45 4.875 1.235 -3.911 335 HD13 ILE 45 HD13 ILE 45 4.281 1.679 -2.311 336 H ASP 46 HN ASP 46 6.568 3.391 0.269 337 HA ASP 46 HA ASP 46 8.559 2.539 2.242 338 HB2 ASP 46 HB2 ASP 46 8.723 4.796 1.105 339 HB3 ASP 46 HB1 ASP 46 7.281 5.264 2.002 340 H LYS 47 HN LYS 47 5.164 3.203 1.877 341 HA LYS 47 HA LYS 47 4.799 2.634 4.746 342 HB2 LYS 47 HB2 LYS 47 3.842 4.847 3.180 343 HB3 LYS 47 HB1 LYS 47 2.481 3.922 3.802 344 HG2 LYS 47 HG2 LYS 47 2.926 4.453 5.963 345 HG3 LYS 47 HG1 LYS 47 4.666 4.574 5.692 346 HD2 LYS 47 HD2 LYS 47 3.635 6.617 4.149 347 HD3 LYS 47 HD1 LYS 47 2.610 6.634 5.585 348 HE2 LYS 47 HE2 LYS 47 4.825 6.520 6.897 349 HE3 LYS 47 HE1 LYS 47 5.577 7.010 5.380 350 HZ1 LYS 47 HZ1 LYS 47 3.301 8.548 6.428 351 HZ2 LYS 47 HZ2 LYS 47 4.577 9.060 5.441 352 HZ3 LYS 47 HZ3 LYS 47 4.840 8.789 7.090 353 H LEU 48 HN LEU 48 3.153 1.277 5.343 354 HA LEU 48 HA LEU 48 1.380 0.103 3.389 355 HB2 LEU 48 HB2 LEU 48 3.155 -1.345 2.914 356 HB3 LEU 48 HB1 LEU 48 3.694 -1.387 4.579 357 HG LEU 48 HG LEU 48 2.585 -3.487 3.577 358 HD11 LEU 48 HD11 LEU 48 1.270 -2.704 6.122 359 HD12 LEU 48 HD12 LEU 48 3.032 -2.750 6.063 360 HD13 LEU 48 HD13 LEU 48 2.099 -4.199 5.687 361 HD21 LEU 48 HD21 LEU 48 -0.014 -2.484 4.492 362 HD22 LEU 48 HD22 LEU 48 0.386 -3.532 3.132 363 HD23 LEU 48 HD23 LEU 48 0.555 -1.783 2.977 364 H GLN 49 HN GLN 49 -0.539 -0.185 4.388 365 HA GLN 49 HA GLN 49 -0.577 -1.002 7.185 366 HB2 GLN 49 HB2 GLN 49 -1.902 0.836 7.929 367 HB3 GLN 49 HB1 GLN 49 -0.484 1.483 7.116 368 HG2 GLN 49 HG2 GLN 49 -2.652 1.159 5.256 369 HG3 GLN 49 HG1 GLN 49 -3.155 2.125 6.642 370 HE21 GLN 49 HE21 GLN 49 -0.482 1.805 4.334 371 HE22 GLN 49 HE22 GLN 49 -0.182 3.499 4.182 372 H ALA 50 HN ALA 50 -2.774 -1.395 8.000 373 HA ALA 50 HA ALA 50 -4.725 -2.134 5.932 374 HB1 ALA 50 HB1 ALA 50 -4.106 -3.936 8.263 375 HB2 ALA 50 HB2 ALA 50 -3.334 -4.122 6.690 376 HB3 ALA 50 HB3 ALA 50 -5.079 -4.291 6.839 377 H THR 51 HN THR 51 -6.931 -2.279 6.765 378 HA THR 51 HA THR 51 -7.388 -0.303 8.779 379 HB THR 51 HB THR 51 -9.698 -0.482 8.266 380 HG1 THR 51 HG1 THR 51 -10.033 -2.668 8.294 381 HG21 THR 51 HG21 THR 51 -7.952 -0.831 5.867 382 HG22 THR 51 HG22 THR 51 -8.729 0.628 6.478 383 HG23 THR 51 HG23 THR 51 -9.696 -0.636 5.720 384 HA PRO 52 HA PRO 52 -7.904 -3.169 12.154 385 HB2 PRO 52 HB2 PRO 52 -7.947 -1.347 14.090 386 HB3 PRO 52 HB1 PRO 52 -6.487 -1.593 13.125 387 HG2 PRO 52 HG2 PRO 52 -8.442 0.630 13.055 388 HG3 PRO 52 HG1 PRO 52 -6.721 0.631 12.640 389 HD2 PRO 52 HD2 PRO 52 -8.966 0.414 10.865 390 HD3 PRO 52 HD1 PRO 52 -7.244 0.387 10.455 391 H ALA 53 HN ALA 53 -9.428 -3.521 13.964 392 HA ALA 53 HA ALA 53 -12.082 -3.547 13.195 393 HB1 ALA 53 HB1 ALA 53 -12.543 -4.491 15.231 394 HB2 ALA 53 HB2 ALA 53 -11.425 -3.437 16.097 395 HB3 ALA 53 HB3 ALA 53 -10.805 -4.769 15.121 396 H SER 54 HN SER 54 -10.442 -0.746 13.836 397 HA SER 54 HA SER 54 -12.141 0.748 15.475 398 HB2 SER 54 HB2 SER 54 -10.528 1.676 13.110 399 HB3 SER 54 HB1 SER 54 -11.105 2.697 14.432 400 HG SER 54 HG SER 54 -8.847 1.912 14.543 401 H SER 55 HN SER 55 -12.268 -0.102 12.140 402 HA SER 55 HA SER 55 -14.936 1.093 11.930 403 HB2 SER 55 HB2 SER 55 -12.846 2.254 10.751 404 HB3 SER 55 HB1 SER 55 -13.214 1.059 9.516 405 HG SER 55 HG SER 55 -14.920 3.068 10.550 406 H GLU 56 HN GLU 56 -16.002 0.214 9.799 407 HA GLU 56 HA GLU 56 -15.792 -2.690 9.961 408 HB2 GLU 56 HB2 GLU 56 -17.994 -1.479 10.185 409 HB3 GLU 56 HB1 GLU 56 -17.861 -1.068 8.481 410 HG2 GLU 56 HG2 GLU 56 -18.289 -3.191 7.788 411 HG3 GLU 56 HG1 GLU 56 -17.602 -3.922 9.238 412 H LYS 57 HN LYS 57 -13.828 -1.021 8.457 413 HA LYS 57 HA LYS 57 -14.357 -1.766 5.710 414 HB2 LYS 57 HB2 LYS 57 -11.719 -0.693 6.025 415 HB3 LYS 57 HB1 LYS 57 -13.084 -0.023 5.152 416 HG2 LYS 57 HG2 LYS 57 -12.501 0.364 8.075 417 HG3 LYS 57 HG1 LYS 57 -12.204 1.537 6.793 418 HD2 LYS 57 HD2 LYS 57 -14.868 0.841 6.468 419 HD3 LYS 57 HD1 LYS 57 -14.661 0.926 8.215 420 HE2 LYS 57 HE2 LYS 57 -13.543 3.169 7.831 421 HE3 LYS 57 HE1 LYS 57 -14.134 3.072 6.173 422 HZ1 LYS 57 HZ1 LYS 57 -16.199 3.583 6.805 423 HZ2 LYS 57 HZ2 LYS 57 -15.497 4.132 8.242 424 HZ3 LYS 57 HZ3 LYS 57 -16.156 2.576 8.165 425 H MET 58 HN MET 58 -11.914 -2.282 4.695 426 HA MET 58 HA MET 58 -10.312 -4.125 6.059 427 HB2 MET 58 HB2 MET 58 -11.101 -6.162 4.646 428 HB3 MET 58 HB1 MET 58 -11.965 -5.757 6.121 429 HG2 MET 58 HG2 MET 58 -13.116 -4.347 3.912 430 HG3 MET 58 HG1 MET 58 -13.004 -6.065 3.534 431 HE1 MET 58 HE1 MET 58 -16.301 -7.085 4.778 432 HE2 MET 58 HE2 MET 58 -14.770 -7.687 4.137 433 HE3 MET 58 HE3 MET 58 -15.587 -6.332 3.352 434 H MET 59 HN MET 59 -9.218 -2.330 4.787 435 HA MET 59 HA MET 59 -8.520 -3.347 2.116 436 HB2 MET 59 HB2 MET 59 -8.345 -1.048 1.310 437 HB3 MET 59 HB1 MET 59 -9.964 -1.360 1.923 438 HG2 MET 59 HG2 MET 59 -8.264 -0.354 4.005 439 HG3 MET 59 HG1 MET 59 -8.241 0.717 2.614 440 HE1 MET 59 HE1 MET 59 -10.166 2.858 4.427 441 HE2 MET 59 HE2 MET 59 -8.804 1.846 4.902 442 HE3 MET 59 HE3 MET 59 -10.345 1.701 5.744 443 H LEU 60 HN LEU 60 -6.424 -2.642 1.329 444 HA LEU 60 HA LEU 60 -4.497 -2.159 3.503 445 HB2 LEU 60 HB2 LEU 60 -4.186 -3.783 0.974 446 HB3 LEU 60 HB1 LEU 60 -2.840 -3.330 2.002 447 HG LEU 60 HG LEU 60 -5.068 -5.259 2.576 448 HD11 LEU 60 HD11 LEU 60 -2.809 -6.402 3.462 449 HD12 LEU 60 HD12 LEU 60 -2.139 -5.354 2.211 450 HD13 LEU 60 HD13 LEU 60 -3.375 -6.541 1.795 451 HD21 LEU 60 HD21 LEU 60 -4.208 -5.390 4.899 452 HD22 LEU 60 HD22 LEU 60 -5.006 -3.860 4.530 453 HD23 LEU 60 HD23 LEU 60 -3.245 -3.946 4.586 454 H ARG 61 HN ARG 61 -2.904 -0.596 3.139 455 HA ARG 61 HA ARG 61 -3.264 0.979 0.669 456 HB2 ARG 61 HB2 ARG 61 -4.085 2.175 2.627 457 HB3 ARG 61 HB1 ARG 61 -2.543 1.949 3.439 458 HG2 ARG 61 HG2 ARG 61 -2.654 4.185 2.601 459 HG3 ARG 61 HG1 ARG 61 -1.462 3.290 1.657 460 HD2 ARG 61 HD2 ARG 61 -2.546 4.089 -0.130 461 HD3 ARG 61 HD1 ARG 61 -3.760 2.864 0.238 462 HE ARG 61 HE ARG 61 -5.195 4.562 0.703 463 HH11 ARG 61 HH11 ARG 61 -1.949 5.732 1.223 464 HH12 ARG 61 HH12 ARG 61 -2.458 7.339 1.620 465 HH21 ARG 61 HH21 ARG 61 -5.866 6.675 1.224 466 HH22 ARG 61 HH22 ARG 61 -4.681 7.874 1.621 467 H LEU 62 HN LEU 62 -1.533 1.418 -0.535 468 HA LEU 62 HA LEU 62 1.127 0.752 0.547 469 HB2 LEU 62 HB2 LEU 62 -0.094 0.165 -2.132 470 HB3 LEU 62 HB1 LEU 62 1.645 0.263 -1.941 471 HG LEU 62 HG LEU 62 0.681 -2.054 -1.868 472 HD11 LEU 62 HD11 LEU 62 2.142 -2.799 -0.125 473 HD12 LEU 62 HD12 LEU 62 2.121 -1.208 0.636 474 HD13 LEU 62 HD13 LEU 62 2.891 -1.423 -0.936 475 HD21 LEU 62 HD21 LEU 62 -0.638 -2.797 -0.129 476 HD22 LEU 62 HD22 LEU 62 -1.285 -1.179 -0.404 477 HD23 LEU 62 HD23 LEU 62 -0.172 -1.468 0.934 478 H ILE 63 HN ILE 63 2.501 2.415 0.568 479 HA ILE 63 HA ILE 63 1.984 4.661 -1.266 480 HB ILE 63 HB ILE 63 2.844 4.620 1.592 481 HG12 ILE 63 HG12 ILE 63 1.288 6.877 0.896 482 HG13 ILE 63 HG11 ILE 63 0.585 5.496 0.058 483 HG21 ILE 63 HG21 ILE 63 4.633 5.870 0.620 484 HG22 ILE 63 HG22 ILE 63 3.518 7.010 1.375 485 HG23 ILE 63 HG23 ILE 63 3.512 6.799 -0.377 486 HD11 ILE 63 HD11 ILE 63 0.226 4.340 2.072 487 HD12 ILE 63 HD12 ILE 63 -0.329 5.994 2.338 488 HD13 ILE 63 HD13 ILE 63 1.228 5.470 2.982 489 H GLY 64 HN GLY 64 3.483 4.977 -2.766 490 HA2 GLY 64 HA2 GLY 64 5.874 3.488 -2.914 491 HA3 GLY 64 HA1 GLY 64 5.468 4.874 -3.914 492 H LYS 65 HN LYS 65 7.594 5.653 -3.859 493 HA LYS 65 HA LYS 65 8.332 6.903 -1.299 494 HB2 LYS 65 HB2 LYS 65 9.722 4.825 -2.240 495 HB3 LYS 65 HB1 LYS 65 10.501 6.098 -3.169 496 HG2 LYS 65 HG2 LYS 65 11.809 6.466 -1.423 497 HG3 LYS 65 HG1 LYS 65 10.393 7.078 -0.564 498 HD2 LYS 65 HD2 LYS 65 10.834 5.444 0.910 499 HD3 LYS 65 HD1 LYS 65 10.092 4.380 -0.286 500 HE2 LYS 65 HE2 LYS 65 12.120 3.339 0.213 501 HE3 LYS 65 HE1 LYS 65 12.440 4.195 -1.295 502 HZ1 LYS 65 HZ1 LYS 65 14.253 4.748 -0.020 503 HZ2 LYS 65 HZ2 LYS 65 13.375 4.817 1.424 504 HZ3 LYS 65 HZ3 LYS 65 13.232 6.062 0.289 505 H VAL 66 HN VAL 66 9.872 8.742 -1.589 506 HA VAL 66 HA VAL 66 9.983 10.015 -4.167 507 HB VAL 66 HB VAL 66 8.847 12.119 -3.308 508 HG11 VAL 66 HG11 VAL 66 6.757 11.477 -4.159 509 HG12 VAL 66 HG12 VAL 66 6.943 9.815 -3.597 510 HG13 VAL 66 HG13 VAL 66 7.912 10.403 -4.948 511 HG21 VAL 66 HG21 VAL 66 7.577 10.201 -1.359 512 HG22 VAL 66 HG22 VAL 66 7.247 11.925 -1.532 513 HG23 VAL 66 HG23 VAL 66 8.813 11.383 -0.928 514 H ASP 67 HN ASP 67 11.642 11.448 -4.286 515 HA ASP 67 HA ASP 67 12.899 12.307 -1.771 516 HB2 ASP 67 HB2 ASP 67 14.085 10.768 -4.015 517 HB3 ASP 67 HB1 ASP 67 15.081 12.039 -3.314 518 H GLU 68 HN GLU 68 11.127 13.722 -3.584 519 HA GLU 68 HA GLU 68 10.936 15.638 -4.814 520 HB2 GLU 68 HB2 GLU 68 12.366 17.530 -3.877 521 HB3 GLU 68 HB1 GLU 68 11.291 16.713 -2.754 522 HG2 GLU 68 HG2 GLU 68 13.147 15.428 -1.873 523 HG3 GLU 68 HG1 GLU 68 14.238 16.175 -3.039 524 H SER 69 HN SER 69 12.766 13.662 -5.910 525 HA SER 69 HA SER 69 14.767 15.321 -7.212 526 HB2 SER 69 HB2 SER 69 14.437 12.323 -7.110 527 HB3 SER 69 HB1 SER 69 15.687 13.144 -8.044 528 HG SER 69 HG SER 69 16.658 12.732 -6.151 529 H LYS 70 HN LYS 70 11.881 13.523 -7.803 530 HA LYS 70 HA LYS 70 12.092 13.745 -10.672 531 HB2 LYS 70 HB2 LYS 70 9.827 12.641 -10.617 532 HB3 LYS 70 HB1 LYS 70 11.136 11.711 -9.900 533 HG2 LYS 70 HG2 LYS 70 9.895 13.366 -7.911 534 HG3 LYS 70 HG1 LYS 70 8.682 12.389 -8.742 535 HD2 LYS 70 HD2 LYS 70 10.776 10.625 -8.303 536 HD3 LYS 70 HD1 LYS 70 10.721 11.595 -6.830 537 HE2 LYS 70 HE2 LYS 70 9.269 9.811 -6.406 538 HE3 LYS 70 HE1 LYS 70 8.206 11.148 -6.843 539 HZ1 LYS 70 HZ1 LYS 70 7.694 8.948 -7.903 540 HZ2 LYS 70 HZ2 LYS 70 9.116 9.121 -8.803 541 HZ3 LYS 70 HZ3 LYS 70 7.864 10.245 -8.977 542 H LYS 71 HN LYS 71 11.494 15.972 -8.468 543 HA LYS 71 HA LYS 71 9.033 17.119 -8.909 544 HB2 LYS 71 HB2 LYS 71 9.939 19.151 -8.085 545 HB3 LYS 71 HB1 LYS 71 10.815 17.857 -7.277 546 HG2 LYS 71 HG2 LYS 71 12.174 18.561 -9.689 547 HG3 LYS 71 HG1 LYS 71 11.863 20.015 -8.739 548 HD2 LYS 71 HD2 LYS 71 12.748 18.585 -6.753 549 HD3 LYS 71 HD1 LYS 71 13.457 17.584 -8.021 550 HE2 LYS 71 HE2 LYS 71 13.969 20.363 -8.548 551 HE3 LYS 71 HE1 LYS 71 14.488 19.951 -6.914 552 HZ1 LYS 71 HZ1 LYS 71 16.032 19.592 -9.005 553 HZ2 LYS 71 HZ2 LYS 71 15.220 18.109 -9.058 554 HZ3 LYS 71 HZ3 LYS 71 16.082 18.551 -7.672 555 H ARG 72 HN ARG 72 9.023 19.518 -9.972 556 HA ARG 72 HA ARG 72 9.852 19.142 -12.777 557 HB2 ARG 72 HB2 ARG 72 7.503 20.843 -12.079 558 HB3 ARG 72 HB1 ARG 72 7.829 19.943 -13.553 559 HG2 ARG 72 HG2 ARG 72 6.714 18.969 -10.954 560 HG3 ARG 72 HG1 ARG 72 6.064 18.791 -12.583 561 HD2 ARG 72 HD2 ARG 72 8.579 17.533 -12.600 562 HD3 ARG 72 HD1 ARG 72 7.793 17.036 -11.104 563 HE ARG 72 HE ARG 72 5.855 16.684 -12.956 564 HH11 ARG 72 HH11 ARG 72 9.178 15.633 -12.760 565 HH12 ARG 72 HH12 ARG 72 8.903 14.182 -13.664 566 HH21 ARG 72 HH21 ARG 72 5.492 14.777 -14.146 567 HH22 ARG 72 HH22 ARG 72 6.811 13.696 -14.452 568 H LYS 73 HN LYS 73 9.853 21.224 -10.040 569 HA LYS 73 HA LYS 73 10.851 23.226 -9.627 570 HB2 LYS 73 HB2 LYS 73 12.120 22.885 -12.350 571 HB3 LYS 73 HB1 LYS 73 12.657 23.971 -11.075 572 HG2 LYS 73 HG2 LYS 73 14.125 22.198 -10.898 573 HG3 LYS 73 HG1 LYS 73 12.916 21.825 -9.668 574 HD2 LYS 73 HD2 LYS 73 11.990 20.110 -10.906 575 HD3 LYS 73 HD1 LYS 73 12.578 20.762 -12.438 576 HE2 LYS 73 HE2 LYS 73 14.719 19.935 -12.119 577 HE3 LYS 73 HE1 LYS 73 14.519 19.811 -10.373 578 HZ1 LYS 73 HZ1 LYS 73 14.266 17.777 -12.181 579 HZ2 LYS 73 HZ2 LYS 73 12.667 18.154 -11.779 580 HZ3 LYS 73 HZ3 LYS 73 13.770 17.743 -10.564 581 H ASP 74 HN ASP 74 11.366 25.453 -11.062 582 HA ASP 74 HA ASP 74 9.385 26.081 -12.991 583 HB2 ASP 74 HB2 ASP 74 8.242 25.990 -10.585 584 HB3 ASP 74 HB1 ASP 74 8.898 27.621 -10.489 585 H ASN 75 HN ASN 75 9.215 28.633 -13.135 586 HA ASN 75 HA ASN 75 11.785 29.564 -13.746 587 HB2 ASN 75 HB2 ASN 75 9.086 30.836 -13.567 588 HB3 ASN 75 HB1 ASN 75 10.504 31.863 -13.752 589 HD21 ASN 75 HD21 ASN 75 8.584 31.862 -15.664 590 HD22 ASN 75 HD22 ASN 75 9.172 31.100 -17.098 591 H GLU 76 HN GLU 76 9.891 29.776 -10.857 592 HA GLU 76 HA GLU 76 11.725 31.675 -9.660 593 HB2 GLU 76 HB2 GLU 76 9.007 30.674 -8.997 594 HB3 GLU 76 HB1 GLU 76 10.022 31.215 -7.667 595 HG2 GLU 76 HG2 GLU 76 10.347 33.288 -9.318 596 HG3 GLU 76 HG1 GLU 76 8.746 32.759 -9.834 597 H GLY 77 HN GLY 77 12.193 28.684 -10.277 598 HA2 GLY 77 HA2 GLY 77 13.266 26.906 -9.299 599 HA3 GLY 77 HA1 GLY 77 13.999 28.120 -8.261 600 H ASN 78 HN ASN 78 10.553 27.666 -8.261 601 HA ASN 78 HA ASN 78 10.381 27.299 -5.499 602 HB2 ASN 78 HB2 ASN 78 8.484 26.811 -7.773 603 HB3 ASN 78 HB1 ASN 78 8.042 26.326 -6.138 604 HD21 ASN 78 HD21 ASN 78 6.358 28.003 -6.979 605 HD22 ASN 78 HD22 ASN 78 6.636 29.624 -6.450 606 H GLU 79 HN GLU 79 9.716 24.841 -8.000 607 HA GLU 79 HA GLU 79 9.954 22.580 -8.014 608 HB2 GLU 79 HB2 GLU 79 11.926 22.769 -5.761 609 HB3 GLU 79 HB1 GLU 79 11.912 21.664 -7.128 610 HG2 GLU 79 HG2 GLU 79 12.549 23.461 -8.623 611 HG3 GLU 79 HG1 GLU 79 12.492 24.613 -7.290 612 H VAL 80 HN VAL 80 9.598 20.596 -6.744 613 HA VAL 80 HA VAL 80 8.800 20.640 -4.044 614 HB VAL 80 HB VAL 80 6.904 21.949 -4.838 615 HG11 VAL 80 HG11 VAL 80 6.865 19.888 -6.933 616 HG12 VAL 80 HG12 VAL 80 6.359 21.577 -6.990 617 HG13 VAL 80 HG13 VAL 80 5.283 20.356 -6.311 618 HG21 VAL 80 HG21 VAL 80 5.207 20.740 -3.772 619 HG22 VAL 80 HG22 VAL 80 6.695 20.111 -3.064 620 HG23 VAL 80 HG23 VAL 80 5.852 19.188 -4.309 621 H VAL 81 HN VAL 81 7.963 18.594 -3.325 622 HA VAL 81 HA VAL 81 8.946 16.417 -4.918 623 HB VAL 81 HB VAL 81 9.357 16.461 -2.497 624 HG11 VAL 81 HG11 VAL 81 6.805 17.327 -2.240 625 HG12 VAL 81 HG12 VAL 81 7.766 16.658 -0.921 626 HG13 VAL 81 HG13 VAL 81 6.629 15.630 -1.793 627 HG21 VAL 81 HG21 VAL 81 7.617 14.101 -2.702 628 HG22 VAL 81 HG22 VAL 81 9.343 14.215 -2.360 629 HG23 VAL 81 HG23 VAL 81 8.766 14.307 -4.024 630 HA PRO 82 HA PRO 82 4.946 15.876 -6.949 631 HB2 PRO 82 HB2 PRO 82 6.280 13.266 -7.538 632 HB3 PRO 82 HB1 PRO 82 5.403 14.350 -8.626 633 HG2 PRO 82 HG2 PRO 82 8.046 14.284 -8.684 634 HG3 PRO 82 HG1 PRO 82 7.193 15.837 -8.787 635 HD2 PRO 82 HD2 PRO 82 8.626 14.610 -6.469 636 HD3 PRO 82 HD1 PRO 82 8.557 16.310 -6.980 637 H LYS 83 HN LYS 83 3.255 15.405 -5.706 638 HA LYS 83 HA LYS 83 3.115 13.922 -3.436 639 HB2 LYS 83 HB2 LYS 83 0.880 14.008 -5.463 640 HB3 LYS 83 HB1 LYS 83 0.730 13.815 -3.722 641 HG2 LYS 83 HG2 LYS 83 1.565 16.275 -5.234 642 HG3 LYS 83 HG1 LYS 83 0.121 16.044 -4.248 643 HD2 LYS 83 HD2 LYS 83 1.755 15.622 -2.312 644 HD3 LYS 83 HD1 LYS 83 2.975 16.342 -3.365 645 HE2 LYS 83 HE2 LYS 83 2.095 18.058 -1.942 646 HE3 LYS 83 HE1 LYS 83 1.516 18.344 -3.582 647 HZ1 LYS 83 HZ1 LYS 83 -0.604 17.437 -3.006 648 HZ2 LYS 83 HZ2 LYS 83 -0.209 18.613 -1.856 649 HZ3 LYS 83 HZ3 LYS 83 -0.060 16.972 -1.473 650 HA PRO 84 HA PRO 84 4.176 9.772 -4.828 651 HB2 PRO 84 HB2 PRO 84 2.962 9.170 -2.170 652 HB3 PRO 84 HB1 PRO 84 4.493 8.617 -2.860 653 HG2 PRO 84 HG2 PRO 84 4.454 10.519 -0.999 654 HG3 PRO 84 HG1 PRO 84 5.586 10.601 -2.361 655 HD2 PRO 84 HD2 PRO 84 3.077 12.140 -1.885 656 HD3 PRO 84 HD1 PRO 84 4.586 12.651 -2.668 657 H GLN 85 HN GLN 85 3.036 7.796 -5.262 658 HA GLN 85 HA GLN 85 0.154 8.230 -5.612 659 HB2 GLN 85 HB2 GLN 85 1.743 7.672 -7.568 660 HB3 GLN 85 HB1 GLN 85 1.753 6.040 -6.915 661 HG2 GLN 85 HG2 GLN 85 -0.863 6.361 -7.012 662 HG3 GLN 85 HG1 GLN 85 -0.431 7.540 -8.249 663 HE21 GLN 85 HE21 GLN 85 1.810 6.255 -9.306 664 HE22 GLN 85 HE22 GLN 85 1.289 4.825 -10.124 665 H ARG 86 HN ARG 86 -0.707 7.580 -3.680 666 HA ARG 86 HA ARG 86 0.094 5.095 -2.448 667 HB2 ARG 86 HB2 ARG 86 -2.300 6.768 -1.703 668 HB3 ARG 86 HB1 ARG 86 -1.393 5.658 -0.685 669 HG2 ARG 86 HG2 ARG 86 -0.421 7.518 0.086 670 HG3 ARG 86 HG1 ARG 86 0.547 7.416 -1.386 671 HD2 ARG 86 HD2 ARG 86 -0.178 9.523 -1.706 672 HD3 ARG 86 HD1 ARG 86 -1.624 8.721 -2.319 673 HE ARG 86 HE ARG 86 -2.759 9.645 -0.581 674 HH11 ARG 86 HH11 ARG 86 0.592 9.365 0.355 675 HH12 ARG 86 HH12 ARG 86 0.354 10.119 1.895 676 HH21 ARG 86 HH21 ARG 86 -3.073 10.637 1.445 677 HH22 ARG 86 HH22 ARG 86 -1.727 10.841 2.515 678 H HIS 87 HN HIS 87 -0.894 3.163 -2.590 679 HA HIS 87 HA HIS 87 -3.238 2.985 -4.354 680 HB2 HIS 87 HB2 HIS 87 -1.720 0.539 -3.614 681 HB3 HIS 87 HB1 HIS 87 -2.470 0.976 -5.144 682 HD1 HIS 87 HD1 HIS 87 -1.073 3.123 -6.342 683 HD2 HIS 87 HD2 HIS 87 0.966 0.565 -3.778 684 HE1 HIS 87 HE1 HIS 87 1.362 3.404 -6.907 685 HE2 HIS 87 HE2 HIS 87 2.581 1.914 -5.281 686 H MET 88 HN MET 88 -5.137 2.574 -3.448 687 HA MET 88 HA MET 88 -5.200 1.389 -0.758 688 HB2 MET 88 HB2 MET 88 -6.496 3.599 -1.784 689 HB3 MET 88 HB1 MET 88 -7.738 2.358 -1.860 690 HG2 MET 88 HG2 MET 88 -6.359 2.312 0.676 691 HG3 MET 88 HG1 MET 88 -7.031 3.904 0.331 692 HE1 MET 88 HE1 MET 88 -8.709 4.096 2.122 693 HE2 MET 88 HE2 MET 88 -8.250 2.595 2.922 694 HE3 MET 88 HE3 MET 88 -9.943 2.925 2.551 695 H PHE 89 HN PHE 89 -5.339 -0.767 -0.874 696 HA PHE 89 HA PHE 89 -6.912 -2.010 -2.997 697 HB2 PHE 89 HB2 PHE 89 -4.550 -2.727 -1.551 698 HB3 PHE 89 HB1 PHE 89 -5.770 -3.969 -1.288 699 HD1 PHE 89 HD1 PHE 89 -7.202 -4.116 -3.754 700 HD2 PHE 89 HD2 PHE 89 -3.042 -3.502 -3.103 701 HE1 PHE 89 HE1 PHE 89 -6.721 -5.060 -5.972 702 HE2 PHE 89 HE2 PHE 89 -2.555 -4.446 -5.323 703 HZ PHE 89 HZ PHE 89 -4.402 -5.221 -6.754 704 H SER 90 HN SER 90 -8.941 -2.634 -2.657 705 HA SER 90 HA SER 90 -9.767 -3.147 0.124 706 HB2 SER 90 HB2 SER 90 -10.654 -1.025 -1.014 707 HB3 SER 90 HB1 SER 90 -11.623 -2.113 -2.009 708 HG SER 90 HG SER 90 -12.934 -1.776 -0.345 709 H PHE 91 HN PHE 91 -10.634 -5.040 0.555 710 HA PHE 91 HA PHE 91 -11.913 -6.557 -1.585 711 HB2 PHE 91 HB2 PHE 91 -10.797 -8.592 -0.117 712 HB3 PHE 91 HB1 PHE 91 -10.211 -8.016 -1.670 713 HD1 PHE 91 HD1 PHE 91 -8.693 -5.636 -1.083 714 HD2 PHE 91 HD2 PHE 91 -9.106 -9.200 1.202 715 HE1 PHE 91 HE1 PHE 91 -6.496 -5.231 -0.057 716 HE2 PHE 91 HE2 PHE 91 -6.912 -8.806 2.218 717 HZ PHE 91 HZ PHE 91 -5.601 -6.820 1.594 718 H ASN 92 HN ASN 92 -13.120 -8.507 -0.569 719 HA ASN 92 HA ASN 92 -14.669 -7.403 1.634 720 HB2 ASN 92 HB2 ASN 92 -16.234 -9.297 1.118 721 HB3 ASN 92 HB1 ASN 92 -15.965 -8.190 -0.226 722 HD21 ASN 92 HD21 ASN 92 -15.399 -9.026 -2.107 723 HD22 ASN 92 HD22 ASN 92 -14.836 -10.638 -2.367 724 H ASN 93 HN ASN 93 -11.961 -8.596 2.016 725 HA ASN 93 HA ASN 93 -12.742 -10.588 4.031 726 HB2 ASN 93 HB2 ASN 93 -10.700 -10.766 1.901 727 HB3 ASN 93 HB1 ASN 93 -10.198 -11.337 3.489 728 HD21 ASN 93 HD21 ASN 93 -10.806 -12.704 0.894 729 HD22 ASN 93 HD22 ASN 93 -11.930 -13.948 1.312 730 H ARG 94 HN ARG 94 -12.675 -9.294 5.799 731 HA ARG 94 HA ARG 94 -10.661 -7.349 6.275 732 HB2 ARG 94 HB2 ARG 94 -12.876 -7.225 7.325 733 HB3 ARG 94 HB1 ARG 94 -12.545 -8.705 8.215 734 HG2 ARG 94 HG2 ARG 94 -11.111 -7.675 9.671 735 HG3 ARG 94 HG1 ARG 94 -10.681 -6.407 8.521 736 HD2 ARG 94 HD2 ARG 94 -12.027 -5.158 9.839 737 HD3 ARG 94 HD1 ARG 94 -13.289 -5.864 8.830 738 HE ARG 94 HE ARG 94 -13.048 -7.644 10.851 739 HH11 ARG 94 HH11 ARG 94 -13.517 -4.187 10.763 740 HH12 ARG 94 HH12 ARG 94 -14.404 -4.144 12.249 741 HH21 ARG 94 HH21 ARG 94 -14.215 -7.589 12.806 742 HH22 ARG 94 HH22 ARG 94 -14.800 -6.074 13.410 743 H THR 95 HN THR 95 -10.985 -10.754 6.993 744 HA THR 95 HA THR 95 -8.893 -10.913 8.885 745 HB THR 95 HB THR 95 -9.525 -13.285 7.326 746 HG1 THR 95 HG1 THR 95 -11.612 -13.237 7.476 747 HG21 THR 95 HG21 THR 95 -9.952 -12.697 10.225 748 HG22 THR 95 HG22 THR 95 -8.457 -13.338 9.546 749 HG23 THR 95 HG23 THR 95 -9.944 -14.282 9.455 750 H VAL 96 HN VAL 96 -9.151 -11.656 5.422 751 HA VAL 96 HA VAL 96 -6.529 -12.567 5.053 752 HB VAL 96 HB VAL 96 -8.264 -11.136 3.032 753 HG11 VAL 96 HG11 VAL 96 -5.807 -12.848 2.774 754 HG12 VAL 96 HG12 VAL 96 -6.082 -11.221 2.152 755 HG13 VAL 96 HG13 VAL 96 -6.925 -12.593 1.434 756 HG21 VAL 96 HG21 VAL 96 -9.061 -13.313 4.311 757 HG22 VAL 96 HG22 VAL 96 -8.016 -14.096 3.126 758 HG23 VAL 96 HG23 VAL 96 -9.360 -13.089 2.587 759 H MET 97 HN MET 97 -7.868 -9.348 4.232 760 HA MET 97 HA MET 97 -5.621 -8.031 3.462 761 HB2 MET 97 HB2 MET 97 -6.637 -5.985 4.630 762 HB3 MET 97 HB1 MET 97 -7.590 -6.779 3.393 763 HG2 MET 97 HG2 MET 97 -9.252 -6.891 4.842 764 HG3 MET 97 HG1 MET 97 -8.301 -8.057 5.757 765 HE1 MET 97 HE1 MET 97 -6.789 -4.115 6.103 766 HE2 MET 97 HE2 MET 97 -8.465 -3.586 6.201 767 HE3 MET 97 HE3 MET 97 -7.919 -4.532 4.819 768 H ASP 98 HN ASP 98 -6.690 -8.188 6.867 769 HA ASP 98 HA ASP 98 -4.432 -6.898 7.924 770 HB2 ASP 98 HB2 ASP 98 -6.576 -8.644 9.070 771 HB3 ASP 98 HB1 ASP 98 -5.189 -8.211 10.065 772 H ASN 99 HN ASN 99 -4.872 -10.138 6.827 773 HA ASN 99 HA ASN 99 -2.698 -11.237 8.367 774 HB2 ASN 99 HB2 ASN 99 -4.632 -12.255 6.357 775 HB3 ASN 99 HB1 ASN 99 -3.100 -13.113 6.492 776 HD21 ASN 99 HD21 ASN 99 -5.238 -14.528 7.074 777 HD22 ASN 99 HD22 ASN 99 -5.413 -14.764 8.776 778 H ILE 100 HN ILE 100 -3.187 -10.258 4.985 779 HA ILE 100 HA ILE 100 -0.529 -10.999 4.223 780 HB ILE 100 HB ILE 100 -2.404 -10.965 2.611 781 HG12 ILE 100 HG12 ILE 100 0.005 -9.240 2.029 782 HG13 ILE 100 HG11 ILE 100 -0.187 -10.961 1.709 783 HG21 ILE 100 HG21 ILE 100 -2.322 -8.174 1.953 784 HG22 ILE 100 HG22 ILE 100 -2.833 -8.393 3.626 785 HG23 ILE 100 HG23 ILE 100 -3.710 -9.198 2.325 786 HD11 ILE 100 HD11 ILE 100 -1.796 -10.508 -0.016 787 HD12 ILE 100 HD12 ILE 100 -0.340 -9.555 -0.309 788 HD13 ILE 100 HD13 ILE 100 -1.776 -8.785 0.370 789 H LYS 101 HN LYS 101 -2.045 -8.060 5.391 790 HA LYS 101 HA LYS 101 -0.014 -6.255 4.603 791 HB2 LYS 101 HB2 LYS 101 -2.300 -5.596 5.377 792 HB3 LYS 101 HB1 LYS 101 -1.828 -6.032 7.012 793 HG2 LYS 101 HG2 LYS 101 -0.083 -4.128 5.576 794 HG3 LYS 101 HG1 LYS 101 -1.669 -3.544 6.073 795 HD2 LYS 101 HD2 LYS 101 0.208 -4.944 7.963 796 HD3 LYS 101 HD1 LYS 101 0.242 -3.198 7.715 797 HE2 LYS 101 HE2 LYS 101 -1.907 -2.914 8.611 798 HE3 LYS 101 HE1 LYS 101 -2.290 -4.630 8.443 799 HZ1 LYS 101 HZ1 LYS 101 -0.808 -3.256 10.535 800 HZ2 LYS 101 HZ2 LYS 101 -0.227 -4.780 10.087 801 HZ3 LYS 101 HZ3 LYS 101 -1.818 -4.610 10.633 802 H MET 102 HN MET 102 -0.576 -8.108 7.548 803 HA MET 102 HA MET 102 1.429 -7.151 9.175 804 HB2 MET 102 HB2 MET 102 -0.366 -9.165 9.374 805 HB3 MET 102 HB1 MET 102 1.114 -10.093 9.170 806 HG2 MET 102 HG2 MET 102 2.080 -8.707 11.052 807 HG3 MET 102 HG1 MET 102 0.438 -8.133 11.339 808 HE1 MET 102 HE1 MET 102 -1.308 -9.147 12.146 809 HE2 MET 102 HE2 MET 102 -1.218 -10.421 13.362 810 HE3 MET 102 HE3 MET 102 -1.643 -10.820 11.698 811 H THR 103 HN THR 103 1.666 -9.523 6.576 812 HA THR 103 HA THR 103 4.331 -10.302 6.992 813 HB THR 103 HB THR 103 2.755 -10.166 4.414 814 HG1 THR 103 HG1 THR 103 2.395 -12.385 4.881 815 HG21 THR 103 HG21 THR 103 5.457 -10.727 4.689 816 HG22 THR 103 HG22 THR 103 4.422 -11.121 3.316 817 HG23 THR 103 HG23 THR 103 4.675 -12.305 4.598 818 H LEU 104 HN LEU 104 2.936 -7.653 5.107 819 HA LEU 104 HA LEU 104 5.489 -6.785 4.109 820 HB2 LEU 104 HB2 LEU 104 2.711 -5.644 4.017 821 HB3 LEU 104 HB1 LEU 104 4.093 -4.726 3.450 822 HG LEU 104 HG LEU 104 4.431 -7.078 2.106 823 HD11 LEU 104 HD11 LEU 104 2.233 -7.644 1.148 824 HD12 LEU 104 HD12 LEU 104 1.468 -6.573 2.322 825 HD13 LEU 104 HD13 LEU 104 2.337 -8.006 2.871 826 HD21 LEU 104 HD21 LEU 104 2.671 -4.961 0.949 827 HD22 LEU 104 HD22 LEU 104 4.009 -5.837 0.209 828 HD23 LEU 104 HD23 LEU 104 4.332 -4.574 1.396 829 H GLN 105 HN GLN 105 3.274 -5.800 6.673 830 HA GLN 105 HA GLN 105 4.293 -3.393 7.464 831 HB2 GLN 105 HB2 GLN 105 2.363 -4.703 8.478 832 HB3 GLN 105 HB1 GLN 105 3.567 -5.556 9.436 833 HG2 GLN 105 HG2 GLN 105 3.827 -3.849 10.849 834 HG3 GLN 105 HG1 GLN 105 3.810 -2.649 9.558 835 HE21 GLN 105 HE21 GLN 105 1.905 -1.665 8.995 836 HE22 GLN 105 HE22 GLN 105 0.452 -1.824 9.916 837 H GLN 106 HN GLN 106 5.565 -6.597 8.264 838 HA GLN 106 HA GLN 106 7.657 -5.627 9.934 839 HB2 GLN 106 HB2 GLN 106 7.244 -8.273 8.537 840 HB3 GLN 106 HB1 GLN 106 8.591 -7.951 9.620 841 HG2 GLN 106 HG2 GLN 106 6.764 -7.299 11.323 842 HG3 GLN 106 HG1 GLN 106 5.680 -8.182 10.249 843 HE21 GLN 106 HE21 GLN 106 5.264 -10.052 11.192 844 HE22 GLN 106 HE22 GLN 106 6.436 -11.134 11.856 845 H ILE 107 HN ILE 107 7.461 -6.578 6.526 846 HA ILE 107 HA ILE 107 10.156 -6.459 5.897 847 HB ILE 107 HB ILE 107 7.647 -6.553 4.451 848 HG12 ILE 107 HG12 ILE 107 10.390 -7.396 3.551 849 HG13 ILE 107 HG11 ILE 107 9.476 -8.282 4.771 850 HG21 ILE 107 HG21 ILE 107 9.861 -4.906 3.253 851 HG22 ILE 107 HG22 ILE 107 8.161 -4.478 3.450 852 HG23 ILE 107 HG23 ILE 107 8.628 -5.715 2.285 853 HD11 ILE 107 HD11 ILE 107 8.369 -7.708 2.042 854 HD12 ILE 107 HD12 ILE 107 7.799 -8.876 3.235 855 HD13 ILE 107 HD13 ILE 107 9.331 -9.143 2.400 856 H ILE 108 HN ILE 108 7.725 -3.869 5.413 857 HA ILE 108 HA ILE 108 9.390 -1.900 4.493 858 HB ILE 108 HB ILE 108 7.245 -1.301 6.511 859 HG12 ILE 108 HG12 ILE 108 6.208 -2.795 4.946 860 HG13 ILE 108 HG11 ILE 108 5.704 -1.162 4.527 861 HG21 ILE 108 HG21 ILE 108 7.182 0.533 4.432 862 HG22 ILE 108 HG22 ILE 108 8.900 0.241 4.709 863 HG23 ILE 108 HG23 ILE 108 7.871 0.779 6.036 864 HD11 ILE 108 HD11 ILE 108 7.999 -2.518 3.156 865 HD12 ILE 108 HD12 ILE 108 7.080 -1.108 2.633 866 HD13 ILE 108 HD13 ILE 108 6.330 -2.704 2.620 867 H SER 109 HN SER 109 8.634 -2.590 7.855 868 HA SER 109 HA SER 109 10.292 -0.674 9.028 869 HB2 SER 109 HB2 SER 109 8.521 -2.431 10.014 870 HB3 SER 109 HB1 SER 109 10.007 -3.301 10.396 871 HG SER 109 HG SER 109 9.795 -2.022 12.111 872 H ARG 110 HN ARG 110 10.963 -3.812 7.678 873 HA ARG 110 HA ARG 110 13.627 -3.993 8.740 874 HB2 ARG 110 HB2 ARG 110 12.908 -6.117 8.301 875 HB3 ARG 110 HB1 ARG 110 11.887 -5.609 6.965 876 HG2 ARG 110 HG2 ARG 110 13.837 -5.440 5.520 877 HG3 ARG 110 HG1 ARG 110 14.883 -5.909 6.862 878 HD2 ARG 110 HD2 ARG 110 12.632 -7.723 6.276 879 HD3 ARG 110 HD1 ARG 110 13.897 -7.644 5.051 880 HE ARG 110 HE ARG 110 14.084 -8.820 7.665 881 HH11 ARG 110 HH11 ARG 110 15.888 -7.383 5.045 882 HH12 ARG 110 HH12 ARG 110 17.370 -8.174 5.466 883 HH21 ARG 110 HH21 ARG 110 16.032 -9.861 8.219 884 HH22 ARG 110 HH22 ARG 110 17.452 -9.582 7.267 885 H TYR 111 HN TYR 111 12.247 -3.449 5.497 886 HA TYR 111 HA TYR 111 14.664 -2.870 4.207 887 HB2 TYR 111 HB2 TYR 111 11.789 -2.401 3.640 888 HB3 TYR 111 HB1 TYR 111 12.937 -1.415 2.743 889 HD1 TYR 111 HD2 TYR 111 14.037 -4.731 3.709 890 HD2 TYR 111 HD1 TYR 111 12.052 -2.496 0.682 891 HE1 TYR 111 HE2 TYR 111 14.383 -6.580 2.126 892 HE2 TYR 111 HE1 TYR 111 12.391 -4.340 -0.909 893 HH TYR 111 HH TYR 111 14.478 -6.972 -0.254 894 H LYS 112 HN LYS 112 12.288 -0.665 5.668 895 HA LYS 112 HA LYS 112 13.446 1.761 5.068 896 HB2 LYS 112 HB2 LYS 112 11.933 0.845 7.504 897 HB3 LYS 112 HB1 LYS 112 12.453 2.512 7.310 898 HG2 LYS 112 HG2 LYS 112 10.481 0.971 5.658 899 HG3 LYS 112 HG1 LYS 112 10.217 2.437 6.599 900 HD2 LYS 112 HD2 LYS 112 10.378 3.384 4.538 901 HD3 LYS 112 HD1 LYS 112 12.096 3.352 4.944 902 HE2 LYS 112 HE2 LYS 112 12.065 1.011 3.841 903 HE3 LYS 112 HE1 LYS 112 10.550 1.551 3.117 904 HZ1 LYS 112 HZ1 LYS 112 12.420 1.987 1.660 905 HZ2 LYS 112 HZ2 LYS 112 13.176 2.914 2.856 906 HZ3 LYS 112 HZ3 LYS 112 11.723 3.443 2.169 907 H ASP 113 HN ASP 113 14.442 -0.608 7.412 908 HA ASP 113 HA ASP 113 16.201 1.069 8.875 909 HB2 ASP 113 HB2 ASP 113 15.499 -1.776 8.825 910 HB3 ASP 113 HB1 ASP 113 17.175 -1.465 9.268 911 H ALA 114 HN ALA 114 16.418 -0.078 5.749 912 HA ALA 114 HA ALA 114 19.331 0.304 5.772 913 HB1 ALA 114 HB1 ALA 114 19.772 -1.639 4.724 914 HB2 ALA 114 HB2 ALA 114 18.292 -1.580 3.765 915 HB3 ALA 114 HB3 ALA 114 18.238 -2.136 5.438 916 H ASP 115 HN ASP 115 16.428 0.159 3.721 917 HA ASP 115 HA ASP 115 17.485 1.416 1.468 918 HB2 ASP 115 HB2 ASP 115 14.665 1.368 2.554 919 HB3 ASP 115 HB1 ASP 115 15.086 2.033 0.978 920 H2 PRO 59 HT1 PRO 59 -26.843 -4.741 0.768 921 H3 PRO 59 HT2 PRO 59 -25.932 -5.738 -0.173 922 HA PRO 59 HA PRO 59 -25.997 -4.325 -1.650 923 HB2 PRO 59 HB2 PRO 59 -28.838 -4.271 -2.238 924 HB3 PRO 59 HB1 PRO 59 -27.518 -4.987 -3.172 925 HG2 PRO 59 HG2 PRO 59 -29.385 -6.471 -1.861 926 HG3 PRO 59 HG1 PRO 59 -27.728 -7.027 -2.156 927 HD2 PRO 59 HD2 PRO 59 -28.916 -5.847 0.339 928 HD3 PRO 59 HD1 PRO 59 -27.829 -7.239 0.165 929 H GLY 60 HN GLY 60 -25.685 -2.209 -1.412 930 HA2 GLY 60 HA2 GLY 60 -26.610 0.016 -1.363 931 HA3 GLY 60 HA1 GLY 60 -27.871 -0.581 -0.294 932 H GLU 61 HN GLU 61 -24.308 -0.732 -0.258 933 HA GLU 61 HA GLU 61 -24.384 0.080 2.558 934 HB2 GLU 61 HB2 GLU 61 -22.432 -1.433 0.874 935 HB3 GLU 61 HB1 GLU 61 -21.843 -0.577 2.292 936 HG2 GLU 61 HG2 GLU 61 -23.995 -1.903 3.303 937 HG3 GLU 61 HG1 GLU 61 -23.405 -3.038 2.089 938 H GLU 62 HN GLU 62 -23.200 1.041 -0.584 939 HA GLU 62 HA GLU 62 -22.277 2.970 -1.357 940 HB2 GLU 62 HB2 GLU 62 -24.236 3.781 0.269 941 HB3 GLU 62 HB1 GLU 62 -22.872 4.446 1.157 942 HG2 GLU 62 HG2 GLU 62 -23.643 5.031 -1.690 943 HG3 GLU 62 HG1 GLU 62 -23.746 6.122 -0.309 944 H GLU 63 HN GLU 63 -20.135 2.466 -1.422 945 HA GLU 63 HA GLU 63 -18.538 2.970 0.993 946 HB2 GLU 63 HB2 GLU 63 -17.824 1.450 -1.522 947 HB3 GLU 63 HB1 GLU 63 -16.767 1.667 -0.135 948 HG2 GLU 63 HG2 GLU 63 -18.083 0.303 1.231 949 HG3 GLU 63 HG1 GLU 63 -19.455 0.375 0.126 950 H ASP 64 HN ASP 64 -16.069 3.415 -0.094 951 HA ASP 64 HA ASP 64 -14.724 5.050 -0.920 952 HB2 ASP 64 HB2 ASP 64 -16.937 4.923 -2.893 953 HB3 ASP 64 HB1 ASP 64 -15.923 6.362 -2.942 954 H ASP 65 HN ASP 65 -16.843 5.578 1.145 955 HA ASP 65 HA ASP 65 -16.332 8.344 1.472 956 HB2 ASP 65 HB2 ASP 65 -18.365 8.010 -0.251 957 HB3 ASP 65 HB1 ASP 65 -19.263 7.920 1.261 958 H GLU 66 HN GLU 66 -15.623 7.722 3.489 959 HA GLU 66 HA GLU 66 -15.702 7.024 5.663 960 HB2 GLU 66 HB2 GLU 66 -17.419 8.081 6.982 961 HB3 GLU 66 HB1 GLU 66 -16.923 9.185 5.708 962 HG2 GLU 66 HG2 GLU 66 -18.901 8.822 4.483 963 HG3 GLU 66 HG1 GLU 66 -19.335 7.418 5.458 964 H ARG 67 HN ARG 67 -16.549 5.016 3.808 965 HA ARG 67 HA ARG 67 -17.864 3.263 5.642 966 HB2 ARG 67 HB2 ARG 67 -19.200 4.017 3.040 967 HB3 ARG 67 HB1 ARG 67 -19.631 2.592 3.973 968 HG2 ARG 67 HG2 ARG 67 -19.837 5.444 4.915 969 HG3 ARG 67 HG1 ARG 67 -21.173 4.425 4.381 970 HD2 ARG 67 HD2 ARG 67 -19.664 3.064 6.405 971 HD3 ARG 67 HD1 ARG 67 -20.116 4.670 6.977 972 HE ARG 67 HE ARG 67 -22.420 3.710 5.932 973 HH11 ARG 67 HH11 ARG 67 -20.143 2.455 8.260 974 HH12 ARG 67 HH12 ARG 67 -21.339 1.558 9.133 975 HH21 ARG 67 HH21 ARG 67 -23.995 2.530 7.080 976 HH22 ARG 67 HH22 ARG 67 -23.526 1.600 8.463 977 H GLY 68 HN GLY 68 -15.979 2.084 5.511 978 HA2 GLY 68 HA2 GLY 68 -14.955 0.128 4.706 979 HA3 GLY 68 HA1 GLY 68 -15.767 0.365 3.164 980 H ALA 69 HN ALA 69 -14.426 3.240 4.179 981 HA ALA 69 HA ALA 69 -11.744 2.813 3.227 982 HB1 ALA 69 HB1 ALA 69 -13.510 3.254 1.250 983 HB2 ALA 69 HB2 ALA 69 -11.836 3.807 1.195 984 HB3 ALA 69 HB3 ALA 69 -13.117 4.919 1.679 985 H ASP 70 HN ASP 70 -12.268 3.526 5.674 986 HA ASP 70 HA ASP 70 -11.243 6.198 5.883 987 HB2 ASP 70 HB2 ASP 70 -13.847 6.289 5.626 988 HB3 ASP 70 HB1 ASP 70 -13.844 5.770 7.309 989 H ALA 71 HN ALA 71 -10.205 3.739 6.650 990 HA ALA 71 HA ALA 71 -9.742 4.211 9.457 991 HB1 ALA 71 HB1 ALA 71 -11.819 2.494 8.877 992 HB2 ALA 71 HB2 ALA 71 -10.906 2.525 10.392 993 HB3 ALA 71 HB3 ALA 71 -10.459 1.397 9.109 994 H THR 72 HN THR 72 -7.850 4.583 7.785 995 HA THR 72 HA THR 72 -6.054 2.339 8.162 996 HB THR 72 HB THR 72 -5.324 2.995 5.638 997 HG1 THR 72 HG1 THR 72 -7.314 2.935 4.455 998 HG21 THR 72 HG21 THR 72 -6.737 0.776 6.871 999 HG22 THR 72 HG22 THR 72 -5.409 0.779 5.711 1000 HG23 THR 72 HG23 THR 72 -7.071 0.960 5.149 1001 H TRP 73 HN TRP 73 -6.568 5.691 7.376 1002 HA TRP 73 HA TRP 73 -3.743 6.317 7.454 1003 HB2 TRP 73 HB2 TRP 73 -5.674 8.543 7.699 1004 HB3 TRP 73 HB1 TRP 73 -4.278 8.374 6.646 1005 HD1 TRP 73 HD1 TRP 73 -7.397 9.299 5.937 1006 HE1 TRP 73 HE1 TRP 73 -8.490 8.196 3.888 1007 HE3 TRP 73 HE3 TRP 73 -4.414 5.199 5.559 1008 HZ2 TRP 73 HZ2 TRP 73 -8.119 5.883 2.318 1009 HZ3 TRP 73 HZ3 TRP 73 -4.834 3.581 3.756 1010 HH2 TRP 73 HH2 TRP 73 -6.657 3.904 2.187 1011 H ASP 74 HN ASP 74 -3.929 5.123 9.677 1012 HA ASP 74 HA ASP 74 -3.388 7.019 11.683 1013 HB2 ASP 74 HB2 ASP 74 -6.019 6.944 11.450 1014 HB3 ASP 74 HB1 ASP 74 -5.852 5.465 12.390 1015 H LEU 75 HN LEU 75 -4.344 3.772 10.893 1016 HA LEU 75 HA LEU 75 -2.948 2.646 13.156 1017 HB2 LEU 75 HB2 LEU 75 -3.567 0.436 12.055 1018 HB3 LEU 75 HB1 LEU 75 -4.870 1.414 12.692 1019 HG LEU 75 HG LEU 75 -5.374 0.328 10.517 1020 HD11 LEU 75 HD11 LEU 75 -6.747 2.006 9.926 1021 HD12 LEU 75 HD12 LEU 75 -5.442 3.180 9.837 1022 HD13 LEU 75 HD13 LEU 75 -6.134 2.753 11.400 1023 HD21 LEU 75 HD21 LEU 75 -3.193 0.448 9.472 1024 HD22 LEU 75 HD22 LEU 75 -3.280 2.212 9.461 1025 HD23 LEU 75 HD23 LEU 75 -4.396 1.271 8.471 1026 H ASP 76 HN ASP 76 -2.086 3.857 10.239 1027 HA ASP 76 HA ASP 76 -0.045 1.945 9.587 1028 HB2 ASP 76 HB2 ASP 76 0.313 3.315 7.670 1029 HB3 ASP 76 HB1 ASP 76 -1.420 3.225 7.903 1030 H LEU 77 HN LEU 77 1.939 3.782 8.723 1031 HA LEU 77 HA LEU 77 3.895 4.632 9.544 1032 HB2 LEU 77 HB2 LEU 77 1.663 6.283 10.568 1033 HB3 LEU 77 HB1 LEU 77 3.240 6.565 11.291 1034 HG LEU 77 HG LEU 77 3.906 6.574 8.667 1035 HD11 LEU 77 HD11 LEU 77 1.963 8.268 7.885 1036 HD12 LEU 77 HD12 LEU 77 1.022 7.119 8.836 1037 HD13 LEU 77 HD13 LEU 77 1.999 6.551 7.482 1038 HD21 LEU 77 HD21 LEU 77 3.915 9.021 8.849 1039 HD22 LEU 77 HD22 LEU 77 4.549 8.243 10.299 1040 HD23 LEU 77 HD23 LEU 77 2.915 8.907 10.297 1041 H LEU 78 HN LEU 78 4.845 2.954 10.651 1042 HA LEU 78 HA LEU 78 5.361 3.305 13.377 1043 HB2 LEU 78 HB2 LEU 78 4.290 1.056 14.086 1044 HB3 LEU 78 HB1 LEU 78 3.301 2.502 14.036 1045 HG LEU 78 HG LEU 78 2.640 1.722 11.665 1046 HD11 LEU 78 HD11 LEU 78 2.690 -0.760 11.441 1047 HD12 LEU 78 HD12 LEU 78 3.798 -0.810 12.812 1048 HD13 LEU 78 HD13 LEU 78 4.272 0.011 11.324 1049 HD21 LEU 78 HD21 LEU 78 1.121 -0.111 12.893 1050 HD22 LEU 78 HD22 LEU 78 0.856 1.625 13.052 1051 HD23 LEU 78 HD23 LEU 78 1.736 0.750 14.304 1052 H LEU 79 HN LEU 79 7.148 3.056 11.521 1053 HA LEU 79 HA LEU 79 8.366 0.469 12.036 1054 HB2 LEU 79 HB2 LEU 79 9.042 0.700 9.428 1055 HB3 LEU 79 HB1 LEU 79 7.740 -0.307 10.027 1056 HG LEU 79 HG LEU 79 6.517 2.141 9.665 1057 HD11 LEU 79 HD11 LEU 79 7.148 2.573 7.214 1058 HD12 LEU 79 HD12 LEU 79 8.650 1.738 7.606 1059 HD13 LEU 79 HD13 LEU 79 8.206 3.206 8.475 1060 HD21 LEU 79 HD21 LEU 79 6.459 0.318 7.360 1061 HD22 LEU 79 HD22 LEU 79 5.140 0.944 8.348 1062 HD23 LEU 79 HD23 LEU 79 6.100 -0.420 8.921 1063 H THR 80 HN THR 80 10.545 0.552 12.206 1064 HA THR 80 HA THR 80 12.567 1.521 12.636 1065 HB THR 80 HB THR 80 13.628 2.539 10.750 1066 HG1 THR 80 HG1 THR 80 11.081 2.913 9.575 1067 HG21 THR 80 HG21 THR 80 13.243 1.024 8.997 1068 HG22 THR 80 HG22 THR 80 11.572 0.756 9.493 1069 HG23 THR 80 HG23 THR 80 12.895 0.139 10.482 1070 H ASN 81 HN ASN 81 12.221 2.763 14.440 1071 HA ASN 81 HA ASN 81 11.792 5.635 13.946 1072 HB2 ASN 81 HB2 ASN 81 10.897 4.182 16.438 1073 HB3 ASN 81 HB1 ASN 81 10.517 5.834 15.962 1074 HD21 ASN 81 HD21 ASN 81 8.950 6.207 14.421 1075 HD22 ASN 81 HD22 ASN 81 7.852 4.982 13.894 1076 H PHE 82 HN PHE 82 12.293 6.611 16.446 1077 HA PHE 82 HA PHE 82 13.998 7.315 17.776 1078 HB2 PHE 82 HB2 PHE 82 13.708 4.759 18.375 1079 HB3 PHE 82 HB1 PHE 82 15.300 4.628 17.635 1080 HD1 PHE 82 HD2 PHE 82 13.389 5.957 20.450 1081 HD2 PHE 82 HD1 PHE 82 17.241 5.624 18.672 1082 HE1 PHE 82 HE2 PHE 82 14.422 6.685 22.561 1083 HE2 PHE 82 HE1 PHE 82 18.281 6.350 20.780 1084 HZ PHE 82 HZ PHE 82 16.872 6.883 22.728 1085 H SER 83 HN SER 83 14.301 7.301 14.797 1086 HA SER 83 HA SER 83 17.228 7.204 14.582 1087 HB2 SER 83 HB2 SER 83 15.143 7.369 12.393 1088 HB3 SER 83 HB1 SER 83 16.883 7.223 12.150 1089 HG SER 83 HG SER 83 15.379 5.245 12.189 1090 H GLY 84 HN GLY 84 17.393 9.209 15.806 1091 HA2 GLY 84 HA2 GLY 84 16.637 11.584 14.222 1092 HA3 GLY 84 HA1 GLY 84 16.841 11.579 15.968 1093 HA PRO 85 HA PRO 85 20.689 13.203 13.636 1094 HB2 PRO 85 HB2 PRO 85 20.337 15.188 15.832 1095 HB3 PRO 85 HB1 PRO 85 20.831 15.442 14.154 1096 HG2 PRO 85 HG2 PRO 85 18.373 16.074 14.951 1097 HG3 PRO 85 HG1 PRO 85 18.654 15.345 13.359 1098 HD2 PRO 85 HD2 PRO 85 17.563 14.109 15.846 1099 HD3 PRO 85 HD1 PRO 85 17.135 13.804 14.151 Start of MODEL 3 1 H2 PRO 1 HT1 PRO 1 -2.257 -16.834 4.671 2 H3 PRO 1 HT2 PRO 1 -3.704 -17.615 4.626 3 HA PRO 1 HA PRO 1 -4.009 -16.460 6.347 4 HB2 PRO 1 HB2 PRO 1 -3.008 -18.144 8.291 5 HB3 PRO 1 HB1 PRO 1 -4.504 -18.416 7.388 6 HG2 PRO 1 HG2 PRO 1 -2.090 -19.927 7.238 7 HG3 PRO 1 HG1 PRO 1 -3.555 -20.132 6.267 8 HD2 PRO 1 HD2 PRO 1 -1.035 -18.671 5.611 9 HD3 PRO 1 HD1 PRO 1 -2.152 -19.534 4.535 10 H SER 2 HN SER 2 -1.513 -15.538 5.259 11 HA SER 2 HA SER 2 -0.527 -14.085 7.482 12 HB2 SER 2 HB2 SER 2 0.703 -16.026 8.096 13 HB3 SER 2 HB1 SER 2 1.175 -16.344 6.427 14 HG SER 2 HG SER 2 2.186 -14.484 8.248 15 H HIS 3 HN HIS 3 0.276 -15.293 4.244 16 HA HIS 3 HA HIS 3 1.114 -12.564 3.523 17 HB2 HIS 3 HB2 HIS 3 2.034 -15.120 2.205 18 HB3 HIS 3 HB1 HIS 3 2.645 -13.496 1.911 19 HD1 HIS 3 HD1 HIS 3 2.534 -16.073 4.693 20 HD2 HIS 3 HD2 HIS 3 4.775 -12.799 3.458 21 HE1 HIS 3 HE1 HIS 3 4.513 -15.991 6.241 22 HE2 HIS 3 HE2 HIS 3 5.810 -13.952 5.529 23 H SER 4 HN SER 4 -0.726 -15.372 2.595 24 HA SER 4 HA SER 4 -1.629 -14.059 0.159 25 HB2 SER 4 HB2 SER 4 -2.620 -16.721 1.153 26 HB3 SER 4 HB1 SER 4 -2.583 -16.105 -0.502 27 HG SER 4 HG SER 4 -0.446 -17.038 1.093 28 H GLY 5 HN GLY 5 -3.509 -13.113 -0.101 29 HA2 GLY 5 HA2 GLY 5 -5.769 -13.607 1.621 30 HA3 GLY 5 HA1 GLY 5 -5.030 -12.024 1.844 31 H ALA 6 HN ALA 6 -7.478 -11.727 1.070 32 HA ALA 6 HA ALA 6 -7.442 -11.574 -1.864 33 HB1 ALA 6 HB1 ALA 6 -9.928 -11.265 -1.634 34 HB2 ALA 6 HB2 ALA 6 -9.738 -11.660 0.075 35 HB3 ALA 6 HB3 ALA 6 -9.304 -12.845 -1.158 36 H ALA 7 HN ALA 7 -7.772 -9.702 -2.923 37 HA ALA 7 HA ALA 7 -8.435 -7.278 -1.482 38 HB1 ALA 7 HB1 ALA 7 -6.464 -6.112 -1.830 39 HB2 ALA 7 HB2 ALA 7 -5.916 -7.219 -3.089 40 HB3 ALA 7 HB3 ALA 7 -5.882 -7.720 -1.398 41 H ILE 8 HN ILE 8 -8.791 -5.430 -2.949 42 HA ILE 8 HA ILE 8 -9.279 -6.309 -5.712 43 HB ILE 8 HB ILE 8 -11.187 -4.732 -3.989 44 HG12 ILE 8 HG12 ILE 8 -11.949 -7.214 -5.428 45 HG13 ILE 8 HG11 ILE 8 -10.903 -7.395 -4.022 46 HG21 ILE 8 HG21 ILE 8 -11.575 -3.744 -6.015 47 HG22 ILE 8 HG22 ILE 8 -12.593 -5.172 -6.202 48 HG23 ILE 8 HG23 ILE 8 -10.983 -5.137 -6.923 49 HD11 ILE 8 HD11 ILE 8 -13.731 -6.574 -4.192 50 HD12 ILE 8 HD12 ILE 8 -12.739 -5.788 -2.962 51 HD13 ILE 8 HD13 ILE 8 -12.897 -7.545 -2.978 52 H PHE 9 HN PHE 9 -9.057 -4.807 -7.305 53 HA PHE 9 HA PHE 9 -8.375 -2.062 -6.605 54 HB2 PHE 9 HB2 PHE 9 -6.213 -3.172 -6.581 55 HB3 PHE 9 HB1 PHE 9 -6.529 -3.888 -8.158 56 HD1 PHE 9 HD2 PHE 9 -6.631 -2.448 -10.161 57 HD2 PHE 9 HD1 PHE 9 -5.389 -0.966 -6.372 58 HE1 PHE 9 HE2 PHE 9 -5.604 -0.498 -11.264 59 HE2 PHE 9 HE1 PHE 9 -4.366 0.988 -7.462 60 HZ PHE 9 HZ PHE 9 -4.471 1.223 -9.913 61 H GLU 10 HN GLU 10 -8.833 -0.589 -8.216 62 HA GLU 10 HA GLU 10 -10.065 0.228 -9.946 63 HB2 GLU 10 HB2 GLU 10 -8.105 -1.651 -11.067 64 HB3 GLU 10 HB1 GLU 10 -9.448 -1.279 -12.139 65 HG2 GLU 10 HG2 GLU 10 -8.992 1.108 -11.868 66 HG3 GLU 10 HG1 GLU 10 -7.622 0.718 -10.829 67 H LYS 11 HN LYS 11 -11.463 -1.635 -8.362 68 HA LYS 11 HA LYS 11 -13.470 -2.697 -8.337 69 HB2 LYS 11 HB2 LYS 11 -13.914 -2.337 -11.259 70 HB3 LYS 11 HB1 LYS 11 -15.036 -2.138 -9.921 71 HG2 LYS 11 HG2 LYS 11 -13.594 -0.068 -9.336 72 HG3 LYS 11 HG1 LYS 11 -13.021 -0.210 -11.000 73 HD2 LYS 11 HD2 LYS 11 -15.267 -0.003 -11.843 74 HD3 LYS 11 HD1 LYS 11 -15.928 -0.044 -10.208 75 HE2 LYS 11 HE2 LYS 11 -14.660 2.044 -9.718 76 HE3 LYS 11 HE1 LYS 11 -14.193 2.104 -11.417 77 HZ1 LYS 11 HZ1 LYS 11 -17.028 1.997 -10.579 78 HZ2 LYS 11 HZ2 LYS 11 -16.393 2.464 -12.076 79 HZ3 LYS 11 HZ3 LYS 11 -16.195 3.463 -10.726 80 H VAL 12 HN VAL 12 -10.855 -3.973 -9.414 81 HA VAL 12 HA VAL 12 -12.151 -6.364 -10.563 82 HB VAL 12 HB VAL 12 -9.229 -5.686 -10.872 83 HG11 VAL 12 HG11 VAL 12 -9.951 -7.201 -13.004 84 HG12 VAL 12 HG12 VAL 12 -11.022 -7.838 -11.756 85 HG13 VAL 12 HG13 VAL 12 -9.277 -7.842 -11.506 86 HG21 VAL 12 HG21 VAL 12 -9.990 -3.947 -12.114 87 HG22 VAL 12 HG22 VAL 12 -11.572 -4.681 -12.374 88 HG23 VAL 12 HG23 VAL 12 -10.186 -5.212 -13.327 89 H SER 13 HN SER 13 -12.196 -8.063 -9.240 90 HA SER 13 HA SER 13 -10.612 -7.999 -6.827 91 HB2 SER 13 HB2 SER 13 -11.900 -10.104 -6.274 92 HB3 SER 13 HB1 SER 13 -12.878 -8.656 -6.510 93 HG SER 13 HG SER 13 -13.710 -10.508 -7.612 94 H GLY 14 HN GLY 14 -9.340 -9.674 -6.062 95 HA2 GLY 14 HA2 GLY 14 -8.469 -11.864 -7.656 96 HA3 GLY 14 HA1 GLY 14 -7.320 -10.532 -7.728 97 H ILE 15 HN ILE 15 -6.139 -12.564 -6.705 98 HA ILE 15 HA ILE 15 -6.488 -12.429 -3.784 99 HB ILE 15 HB ILE 15 -4.807 -14.501 -5.169 100 HG12 ILE 15 HG12 ILE 15 -7.074 -15.873 -4.658 101 HG13 ILE 15 HG11 ILE 15 -7.765 -14.305 -5.061 102 HG21 ILE 15 HG21 ILE 15 -4.390 -14.626 -2.906 103 HG22 ILE 15 HG22 ILE 15 -5.729 -15.763 -3.066 104 HG23 ILE 15 HG23 ILE 15 -6.029 -14.130 -2.471 105 HD11 ILE 15 HD11 ILE 15 -6.879 -16.324 -6.806 106 HD12 ILE 15 HD12 ILE 15 -5.779 -14.958 -6.992 107 HD13 ILE 15 HD13 ILE 15 -7.514 -14.730 -7.212 108 H ILE 16 HN ILE 16 -4.916 -11.680 -2.540 109 HA ILE 16 HA ILE 16 -2.525 -10.628 -3.865 110 HB ILE 16 HB ILE 16 -3.984 -9.009 -2.748 111 HG12 ILE 16 HG12 ILE 16 -1.500 -9.204 -1.075 112 HG13 ILE 16 HG11 ILE 16 -1.408 -8.844 -2.796 113 HG21 ILE 16 HG21 ILE 16 -5.023 -10.216 -1.036 114 HG22 ILE 16 HG22 ILE 16 -4.001 -9.036 -0.211 115 HG23 ILE 16 HG23 ILE 16 -3.482 -10.716 -0.337 116 HD11 ILE 16 HD11 ILE 16 -1.469 -6.736 -1.947 117 HD12 ILE 16 HD12 ILE 16 -2.465 -7.200 -0.566 118 HD13 ILE 16 HD13 ILE 16 -3.197 -7.024 -2.164 119 H ALA 17 HN ALA 17 -0.490 -11.304 -3.244 120 HA ALA 17 HA ALA 17 -0.211 -12.851 -0.770 121 HB1 ALA 17 HB1 ALA 17 0.794 -13.927 -3.390 122 HB2 ALA 17 HB2 ALA 17 -0.744 -14.404 -2.666 123 HB3 ALA 17 HB3 ALA 17 0.770 -14.737 -1.822 124 H ILE 18 HN ILE 18 1.818 -12.812 0.162 125 HA ILE 18 HA ILE 18 3.691 -10.863 -0.961 126 HB ILE 18 HB ILE 18 4.173 -12.281 1.628 127 HG12 ILE 18 HG12 ILE 18 1.897 -11.655 1.949 128 HG13 ILE 18 HG11 ILE 18 2.871 -10.435 2.764 129 HG21 ILE 18 HG21 ILE 18 4.793 -9.561 0.514 130 HG22 ILE 18 HG22 ILE 18 5.917 -10.847 0.951 131 HG23 ILE 18 HG23 ILE 18 5.037 -9.979 2.209 132 HD11 ILE 18 HD11 ILE 18 1.405 -9.081 1.709 133 HD12 ILE 18 HD12 ILE 18 1.144 -10.207 0.376 134 HD13 ILE 18 HD13 ILE 18 2.604 -9.220 0.425 135 H ASN 19 HN ASN 19 5.809 -11.341 -1.480 136 HA ASN 19 HA ASN 19 6.538 -14.200 -1.563 137 HB2 ASN 19 HB2 ASN 19 7.350 -12.137 -3.610 138 HB3 ASN 19 HB1 ASN 19 7.571 -13.882 -3.697 139 HD21 ASN 19 HD21 ASN 19 5.629 -15.199 -3.824 140 HD22 ASN 19 HD22 ASN 19 4.242 -14.571 -4.640 141 H GLU 20 HN GLU 20 8.084 -14.547 -0.157 142 HA GLU 20 HA GLU 20 10.208 -12.535 0.122 143 HB2 GLU 20 HB2 GLU 20 8.876 -14.336 2.083 144 HB3 GLU 20 HB1 GLU 20 10.593 -14.029 2.308 145 HG2 GLU 20 HG2 GLU 20 10.170 -11.636 2.392 146 HG3 GLU 20 HG1 GLU 20 8.451 -11.922 2.126 147 H ASP 21 HN ASP 21 9.956 -14.579 -1.895 148 HA ASP 21 HA ASP 21 12.163 -16.395 -1.223 149 HB2 ASP 21 HB2 ASP 21 9.817 -17.052 -2.321 150 HB3 ASP 21 HB1 ASP 21 10.689 -16.647 -3.797 151 H VAL 22 HN VAL 22 11.298 -13.686 -3.192 152 HA VAL 22 HA VAL 22 13.759 -13.951 -4.772 153 HB VAL 22 HB VAL 22 12.529 -11.628 -5.641 154 HG11 VAL 22 HG11 VAL 22 12.516 -12.677 -7.647 155 HG12 VAL 22 HG12 VAL 22 11.781 -14.144 -7.001 156 HG13 VAL 22 HG13 VAL 22 13.503 -13.842 -6.764 157 HG21 VAL 22 HG21 VAL 22 10.190 -12.323 -6.120 158 HG22 VAL 22 HG22 VAL 22 10.507 -12.026 -4.411 159 HG23 VAL 22 HG23 VAL 22 10.411 -13.680 -5.015 160 H SER 23 HN SER 23 14.970 -11.839 -5.166 161 HA SER 23 HA SER 23 16.085 -10.913 -2.825 162 HB2 SER 23 HB2 SER 23 16.369 -8.764 -4.587 163 HB3 SER 23 HB1 SER 23 17.483 -10.115 -4.386 164 HG SER 23 HG SER 23 16.718 -9.756 -6.576 165 HA PRO 24 HA PRO 24 13.316 -7.072 -2.627 166 HB2 PRO 24 HB2 PRO 24 11.650 -6.405 -4.612 167 HB3 PRO 24 HB1 PRO 24 13.377 -6.016 -4.696 168 HG2 PRO 24 HG2 PRO 24 11.873 -8.250 -6.002 169 HG3 PRO 24 HG1 PRO 24 13.156 -7.225 -6.670 170 HD2 PRO 24 HD2 PRO 24 13.563 -9.764 -5.692 171 HD3 PRO 24 HD1 PRO 24 14.815 -8.510 -5.765 172 H ALA 25 HN ALA 25 12.357 -8.617 -1.150 173 HA ALA 25 HA ALA 25 10.302 -10.362 -1.561 174 HB1 ALA 25 HB1 ALA 25 11.253 -8.834 0.719 175 HB2 ALA 25 HB2 ALA 25 10.676 -10.498 0.629 176 HB3 ALA 25 HB3 ALA 25 9.524 -9.172 0.794 177 H GLU 26 HN GLU 26 8.837 -9.836 -3.048 178 HA GLU 26 HA GLU 26 7.154 -7.479 -2.551 179 HB2 GLU 26 HB2 GLU 26 6.709 -7.562 -5.028 180 HB3 GLU 26 HB1 GLU 26 8.344 -7.107 -4.546 181 HG2 GLU 26 HG2 GLU 26 9.252 -8.870 -5.566 182 HG3 GLU 26 HG1 GLU 26 8.014 -9.974 -4.968 183 H LEU 27 HN LEU 27 4.941 -7.681 -3.646 184 HA LEU 27 HA LEU 27 3.879 -10.369 -3.269 185 HB2 LEU 27 HB2 LEU 27 1.950 -9.477 -2.135 186 HB3 LEU 27 HB1 LEU 27 3.394 -8.932 -1.308 187 HG LEU 27 HG LEU 27 3.112 -6.779 -2.736 188 HD11 LEU 27 HD11 LEU 27 1.400 -6.810 -4.155 189 HD12 LEU 27 HD12 LEU 27 0.341 -6.714 -2.749 190 HD13 LEU 27 HD13 LEU 27 0.742 -8.284 -3.445 191 HD21 LEU 27 HD21 LEU 27 0.948 -7.011 -0.723 192 HD22 LEU 27 HD22 LEU 27 2.202 -5.784 -0.905 193 HD23 LEU 27 HD23 LEU 27 2.595 -7.349 -0.194 194 H THR 28 HN THR 28 2.328 -11.002 -4.746 195 HA THR 28 HA THR 28 1.678 -8.975 -6.765 196 HB THR 28 HB THR 28 2.224 -11.891 -7.184 197 HG1 THR 28 HG1 THR 28 4.004 -10.386 -7.048 198 HG21 THR 28 HG21 THR 28 0.351 -11.139 -8.611 199 HG22 THR 28 HG22 THR 28 1.789 -11.625 -9.509 200 HG23 THR 28 HG23 THR 28 1.426 -9.914 -9.286 201 H TRP 29 HN TRP 29 -0.283 -8.987 -7.711 202 HA TRP 29 HA TRP 29 -2.379 -10.364 -6.168 203 HB2 TRP 29 HB2 TRP 29 -2.276 -7.953 -5.806 204 HB3 TRP 29 HB1 TRP 29 -2.408 -7.674 -7.537 205 HD1 TRP 29 HD1 TRP 29 -4.477 -8.698 -4.504 206 HE1 TRP 29 HE1 TRP 29 -6.960 -8.433 -5.089 207 HE3 TRP 29 HE3 TRP 29 -4.012 -7.718 -9.502 208 HZ2 TRP 29 HZ2 TRP 29 -8.525 -7.873 -7.364 209 HZ3 TRP 29 HZ3 TRP 29 -6.075 -7.333 -10.806 210 HH2 TRP 29 HH2 TRP 29 -8.275 -7.412 -9.763 211 H ARG 30 HN ARG 30 -3.183 -11.999 -7.346 212 HA ARG 30 HA ARG 30 -3.474 -11.670 -10.246 213 HB2 ARG 30 HB2 ARG 30 -2.359 -13.716 -9.080 214 HB3 ARG 30 HB1 ARG 30 -4.012 -14.222 -8.761 215 HG2 ARG 30 HG2 ARG 30 -4.485 -14.546 -11.003 216 HG3 ARG 30 HG1 ARG 30 -3.165 -13.503 -11.533 217 HD2 ARG 30 HD2 ARG 30 -2.262 -15.558 -11.980 218 HD3 ARG 30 HD1 ARG 30 -1.686 -15.313 -10.332 219 HE ARG 30 HE ARG 30 -4.189 -16.640 -10.331 220 HH11 ARG 30 HH11 ARG 30 -0.798 -17.171 -10.965 221 HH12 ARG 30 HH12 ARG 30 -0.863 -18.859 -10.583 222 HH21 ARG 30 HH21 ARG 30 -4.276 -18.860 -9.828 223 HH22 ARG 30 HH22 ARG 30 -2.837 -19.818 -9.938 224 H SER 31 HN SER 31 -5.405 -11.168 -11.080 225 HA SER 31 HA SER 31 -7.688 -10.593 -9.703 226 HB2 SER 31 HB2 SER 31 -7.006 -10.521 -12.324 227 HB3 SER 31 HB1 SER 31 -8.178 -11.837 -12.341 228 HG SER 31 HG SER 31 -9.685 -10.439 -11.399 229 H THR 32 HN THR 32 -9.813 -11.678 -9.671 230 HA THR 32 HA THR 32 -9.574 -14.292 -8.556 231 HB THR 32 HB THR 32 -12.232 -14.006 -8.768 232 HG1 THR 32 HG1 THR 32 -12.824 -11.917 -8.881 233 HG21 THR 32 HG21 THR 32 -11.182 -14.158 -6.632 234 HG22 THR 32 HG22 THR 32 -12.223 -12.734 -6.643 235 HG23 THR 32 HG23 THR 32 -10.476 -12.551 -6.810 236 H ASP 33 HN ASP 33 -10.641 -12.982 -11.593 237 HA ASP 33 HA ASP 33 -11.588 -15.525 -12.556 238 HB2 ASP 33 HB2 ASP 33 -12.614 -13.272 -13.156 239 HB3 ASP 33 HB1 ASP 33 -11.210 -13.021 -14.188 240 H GLY 34 HN GLY 34 -8.645 -13.805 -12.473 241 HA2 GLY 34 HA2 GLY 34 -6.553 -14.629 -13.094 242 HA3 GLY 34 HA1 GLY 34 -7.351 -15.890 -14.021 243 H ASP 35 HN ASP 35 -8.414 -12.651 -14.505 244 HA ASP 35 HA ASP 35 -7.426 -12.733 -17.208 245 HB2 ASP 35 HB2 ASP 35 -9.791 -11.944 -16.302 246 HB3 ASP 35 HB1 ASP 35 -8.956 -10.398 -16.177 247 H LYS 36 HN LYS 36 -6.769 -11.084 -14.240 248 HA LYS 36 HA LYS 36 -4.540 -9.713 -15.549 249 HB2 LYS 36 HB2 LYS 36 -4.970 -7.650 -14.399 250 HB3 LYS 36 HB1 LYS 36 -6.397 -8.109 -15.316 251 HG2 LYS 36 HG2 LYS 36 -7.488 -8.876 -13.309 252 HG3 LYS 36 HG1 LYS 36 -6.033 -8.550 -12.363 253 HD2 LYS 36 HD2 LYS 36 -7.634 -6.492 -13.875 254 HD3 LYS 36 HD1 LYS 36 -7.713 -6.767 -12.134 255 HE2 LYS 36 HE2 LYS 36 -6.161 -5.141 -12.051 256 HE3 LYS 36 HE1 LYS 36 -5.050 -6.444 -12.471 257 HZ1 LYS 36 HZ1 LYS 36 -5.214 -4.192 -13.845 258 HZ2 LYS 36 HZ2 LYS 36 -6.366 -5.097 -14.690 259 HZ3 LYS 36 HZ3 LYS 36 -4.778 -5.664 -14.555 260 H VAL 37 HN VAL 37 -2.808 -9.132 -14.171 261 HA VAL 37 HA VAL 37 -2.806 -10.192 -11.457 262 HB VAL 37 HB VAL 37 -0.501 -10.936 -13.225 263 HG11 VAL 37 HG11 VAL 37 -1.497 -11.596 -10.528 264 HG12 VAL 37 HG12 VAL 37 0.155 -11.455 -11.129 265 HG13 VAL 37 HG13 VAL 37 -0.773 -12.922 -11.438 266 HG21 VAL 37 HG21 VAL 37 -1.695 -13.252 -13.290 267 HG22 VAL 37 HG22 VAL 37 -2.111 -12.017 -14.478 268 HG23 VAL 37 HG23 VAL 37 -3.160 -12.293 -13.088 269 H HIS 38 HN HIS 38 -1.995 -8.605 -10.212 270 HA HIS 38 HA HIS 38 -0.015 -6.798 -11.428 271 HB2 HIS 38 HB2 HIS 38 -2.396 -6.065 -10.421 272 HB3 HIS 38 HB1 HIS 38 -1.427 -5.972 -8.954 273 HD1 HIS 38 HD1 HIS 38 -2.012 -3.345 -9.191 274 HD2 HIS 38 HD2 HIS 38 0.591 -4.928 -12.017 275 HE1 HIS 38 HE1 HIS 38 -0.863 -1.364 -10.231 276 HE2 HIS 38 HE2 HIS 38 0.770 -2.352 -11.876 277 H THR 39 HN THR 39 1.932 -7.336 -10.845 278 HA THR 39 HA THR 39 2.532 -8.441 -8.181 279 HB THR 39 HB THR 39 4.217 -8.035 -10.679 280 HG1 THR 39 HG1 THR 39 3.497 -9.919 -11.168 281 HG21 THR 39 HG21 THR 39 6.043 -8.291 -9.470 282 HG22 THR 39 HG22 THR 39 5.460 -9.886 -8.993 283 HG23 THR 39 HG23 THR 39 5.095 -8.479 -7.994 284 H VAL 40 HN VAL 40 2.717 -6.844 -6.674 285 HA VAL 40 HA VAL 40 3.946 -4.298 -7.429 286 HB VAL 40 HB VAL 40 2.837 -4.904 -4.703 287 HG11 VAL 40 HG11 VAL 40 4.183 -2.809 -5.325 288 HG12 VAL 40 HG12 VAL 40 2.652 -2.590 -4.474 289 HG13 VAL 40 HG13 VAL 40 2.741 -2.317 -6.214 290 HG21 VAL 40 HG21 VAL 40 0.770 -3.635 -5.888 291 HG22 VAL 40 HG22 VAL 40 0.878 -5.388 -5.722 292 HG23 VAL 40 HG23 VAL 40 1.352 -4.615 -7.235 293 H VAL 41 HN VAL 41 6.086 -4.093 -7.181 294 HA VAL 41 HA VAL 41 7.546 -5.919 -5.547 295 HB VAL 41 HB VAL 41 8.671 -3.431 -6.799 296 HG11 VAL 41 HG11 VAL 41 9.760 -5.625 -5.245 297 HG12 VAL 41 HG12 VAL 41 10.523 -4.118 -5.753 298 HG13 VAL 41 HG13 VAL 41 10.530 -5.513 -6.830 299 HG21 VAL 41 HG21 VAL 41 8.755 -6.142 -8.074 300 HG22 VAL 41 HG22 VAL 41 9.024 -4.559 -8.804 301 HG23 VAL 41 HG23 VAL 41 7.393 -5.056 -8.352 302 H LEU 42 HN LEU 42 7.099 -5.719 -3.442 303 HA LEU 42 HA LEU 42 6.585 -3.541 -1.888 304 HB2 LEU 42 HB2 LEU 42 7.894 -6.148 -1.441 305 HB3 LEU 42 HB1 LEU 42 8.114 -4.954 -0.182 306 HG LEU 42 HG LEU 42 5.694 -4.791 0.121 307 HD11 LEU 42 HD11 LEU 42 5.084 -7.144 -1.529 308 HD12 LEU 42 HD12 LEU 42 5.461 -5.674 -2.427 309 HD13 LEU 42 HD13 LEU 42 4.152 -5.673 -1.250 310 HD21 LEU 42 HD21 LEU 42 6.114 -6.374 1.627 311 HD22 LEU 42 HD22 LEU 42 7.270 -7.179 0.566 312 HD23 LEU 42 HD23 LEU 42 5.550 -7.548 0.437 313 H SER 43 HN SER 43 9.627 -4.509 -3.261 314 HA SER 43 HA SER 43 11.312 -2.907 -1.641 315 HB2 SER 43 HB2 SER 43 11.591 -4.478 -4.123 316 HB3 SER 43 HB1 SER 43 12.701 -3.116 -3.977 317 HG SER 43 HG SER 43 12.406 -5.346 -2.271 318 H THR 44 HN THR 44 9.878 -2.465 -4.810 319 HA THR 44 HA THR 44 10.807 0.200 -5.139 320 HB THR 44 HB THR 44 9.505 0.194 -7.130 321 HG1 THR 44 HG1 THR 44 7.669 -0.781 -7.254 322 HG21 THR 44 HG21 THR 44 10.907 -2.319 -6.516 323 HG22 THR 44 HG22 THR 44 11.183 -1.146 -7.804 324 HG23 THR 44 HG23 THR 44 9.863 -2.308 -7.937 325 H ILE 45 HN ILE 45 8.234 -1.279 -3.423 326 HA ILE 45 HA ILE 45 6.381 0.891 -3.530 327 HB ILE 45 HB ILE 45 6.612 -1.379 -1.559 328 HG12 ILE 45 HG12 ILE 45 4.744 -0.922 -3.896 329 HG13 ILE 45 HG11 ILE 45 6.085 -2.058 -3.865 330 HG21 ILE 45 HG21 ILE 45 4.035 -0.571 -1.398 331 HG22 ILE 45 HG22 ILE 45 4.851 0.974 -1.631 332 HG23 ILE 45 HG23 ILE 45 5.303 -0.070 -0.282 333 HD11 ILE 45 HD11 ILE 45 3.403 -2.259 -2.678 334 HD12 ILE 45 HD12 ILE 45 4.732 -2.902 -1.713 335 HD13 ILE 45 HD13 ILE 45 4.452 -3.511 -3.345 336 H ASP 46 HN ASP 46 7.895 -0.295 -0.593 337 HA ASP 46 HA ASP 46 9.166 0.766 1.005 338 HB2 ASP 46 HB2 ASP 46 8.652 3.417 -0.335 339 HB3 ASP 46 HB1 ASP 46 9.933 3.000 0.798 340 H LYS 47 HN LYS 47 5.986 1.718 0.073 341 HA LYS 47 HA LYS 47 5.483 2.538 2.856 342 HB2 LYS 47 HB2 LYS 47 4.908 3.954 0.392 343 HB3 LYS 47 HB1 LYS 47 3.455 3.696 1.351 344 HG2 LYS 47 HG2 LYS 47 4.265 5.755 2.070 345 HG3 LYS 47 HG1 LYS 47 4.799 4.621 3.312 346 HD2 LYS 47 HD2 LYS 47 6.806 5.592 3.003 347 HD3 LYS 47 HD1 LYS 47 6.897 4.534 1.593 348 HE2 LYS 47 HE2 LYS 47 6.512 6.234 0.121 349 HE3 LYS 47 HE1 LYS 47 5.537 7.152 1.267 350 HZ1 LYS 47 HZ1 LYS 47 8.468 7.037 1.008 351 HZ2 LYS 47 HZ2 LYS 47 7.768 7.450 2.492 352 HZ3 LYS 47 HZ3 LYS 47 7.458 8.390 1.120 353 H LEU 48 HN LEU 48 3.683 1.785 3.845 354 HA LEU 48 HA LEU 48 1.687 0.250 2.419 355 HB2 LEU 48 HB2 LEU 48 3.251 -1.500 2.645 356 HB3 LEU 48 HB1 LEU 48 3.708 -0.997 4.259 357 HG LEU 48 HG LEU 48 1.034 -1.636 4.551 358 HD11 LEU 48 HD11 LEU 48 2.191 -3.162 2.318 359 HD12 LEU 48 HD12 LEU 48 0.506 -2.827 2.718 360 HD13 LEU 48 HD13 LEU 48 1.371 -4.116 3.555 361 HD21 LEU 48 HD21 LEU 48 3.645 -2.818 5.233 362 HD22 LEU 48 HD22 LEU 48 2.257 -3.898 5.351 363 HD23 LEU 48 HD23 LEU 48 2.284 -2.393 6.269 364 H GLN 49 HN GLN 49 -0.261 0.409 3.441 365 HA GLN 49 HA GLN 49 -0.327 0.949 6.306 366 HB2 GLN 49 HB2 GLN 49 -1.787 2.774 4.404 367 HB3 GLN 49 HB1 GLN 49 -1.601 2.955 6.142 368 HG2 GLN 49 HG2 GLN 49 -0.083 4.478 5.370 369 HG3 GLN 49 HG1 GLN 49 0.940 3.059 5.576 370 HE21 GLN 49 HE21 GLN 49 -1.207 4.432 3.102 371 HE22 GLN 49 HE22 GLN 49 -0.126 4.177 1.779 372 H ALA 50 HN ALA 50 -2.012 0.079 7.310 373 HA ALA 50 HA ALA 50 -4.205 -1.047 5.689 374 HB1 ALA 50 HB1 ALA 50 -4.442 -2.793 7.315 375 HB2 ALA 50 HB2 ALA 50 -3.266 -2.027 8.382 376 HB3 ALA 50 HB3 ALA 50 -2.746 -2.713 6.845 377 H THR 51 HN THR 51 -6.317 -1.228 6.944 378 HA THR 51 HA THR 51 -6.893 1.352 8.043 379 HB THR 51 HB THR 51 -9.195 0.559 8.217 380 HG1 THR 51 HG1 THR 51 -9.469 -1.475 8.578 381 HG21 THR 51 HG21 THR 51 -7.660 0.124 5.728 382 HG22 THR 51 HG22 THR 51 -8.994 1.225 6.065 383 HG23 THR 51 HG23 THR 51 -9.315 -0.486 5.788 384 HA PRO 52 HA PRO 52 -6.240 0.124 12.296 385 HB2 PRO 52 HB2 PRO 52 -6.111 2.543 13.315 386 HB3 PRO 52 HB1 PRO 52 -4.921 2.058 12.097 387 HG2 PRO 52 HG2 PRO 52 -7.366 3.755 11.785 388 HG3 PRO 52 HG1 PRO 52 -5.757 3.982 11.086 389 HD2 PRO 52 HD2 PRO 52 -7.949 2.783 9.817 390 HD3 PRO 52 HD1 PRO 52 -6.258 2.672 9.292 391 H ALA 53 HN ALA 53 -7.256 0.481 14.412 392 HA ALA 53 HA ALA 53 -9.916 -0.068 14.568 393 HB1 ALA 53 HB1 ALA 53 -9.664 1.185 16.903 394 HB2 ALA 53 HB2 ALA 53 -7.959 1.087 16.462 395 HB3 ALA 53 HB3 ALA 53 -8.924 -0.384 16.581 396 H SER 54 HN SER 54 -8.568 2.980 13.751 397 HA SER 54 HA SER 54 -10.545 4.767 14.625 398 HB2 SER 54 HB2 SER 54 -8.961 4.864 12.069 399 HB3 SER 54 HB1 SER 54 -9.706 6.242 12.886 400 HG SER 54 HG SER 54 -8.282 5.776 14.673 401 H SER 55 HN SER 55 -10.346 2.580 11.983 402 HA SER 55 HA SER 55 -13.148 3.101 11.324 403 HB2 SER 55 HB2 SER 55 -10.830 3.584 9.644 404 HB3 SER 55 HB1 SER 55 -11.973 2.475 8.887 405 HG SER 55 HG SER 55 -12.416 5.118 9.783 406 H GLU 56 HN GLU 56 -14.271 1.256 11.405 407 HA GLU 56 HA GLU 56 -13.126 -1.267 11.816 408 HB2 GLU 56 HB2 GLU 56 -15.862 -0.605 10.702 409 HB3 GLU 56 HB1 GLU 56 -15.376 -2.167 11.346 410 HG2 GLU 56 HG2 GLU 56 -15.002 -1.124 13.539 411 HG3 GLU 56 HG1 GLU 56 -15.556 0.415 12.882 412 H LYS 57 HN LYS 57 -13.459 0.591 9.010 413 HA LYS 57 HA LYS 57 -13.846 -1.069 6.905 414 HB2 LYS 57 HB2 LYS 57 -11.981 1.262 7.290 415 HB3 LYS 57 HB1 LYS 57 -12.060 0.417 5.749 416 HG2 LYS 57 HG2 LYS 57 -13.480 2.320 5.635 417 HG3 LYS 57 HG1 LYS 57 -14.501 0.884 5.686 418 HD2 LYS 57 HD2 LYS 57 -15.204 1.308 7.855 419 HD3 LYS 57 HD1 LYS 57 -13.807 2.323 8.215 420 HE2 LYS 57 HE2 LYS 57 -14.684 4.153 7.096 421 HE3 LYS 57 HE1 LYS 57 -15.782 3.163 6.135 422 HZ1 LYS 57 HZ1 LYS 57 -16.175 3.155 9.025 423 HZ2 LYS 57 HZ2 LYS 57 -17.317 3.105 7.778 424 HZ3 LYS 57 HZ3 LYS 57 -16.593 4.573 8.202 425 H MET 58 HN MET 58 -12.130 -1.835 5.320 426 HA MET 58 HA MET 58 -9.734 -2.910 6.585 427 HB2 MET 58 HB2 MET 58 -10.263 -5.181 5.598 428 HB3 MET 58 HB1 MET 58 -11.225 -4.715 6.994 429 HG2 MET 58 HG2 MET 58 -12.277 -4.116 4.285 430 HG3 MET 58 HG1 MET 58 -12.313 -5.783 4.855 431 HE1 MET 58 HE1 MET 58 -15.980 -5.113 5.542 432 HE2 MET 58 HE2 MET 58 -14.749 -6.228 4.941 433 HE3 MET 58 HE3 MET 58 -15.042 -4.698 4.106 434 H MET 59 HN MET 59 -8.244 -2.039 5.252 435 HA MET 59 HA MET 59 -8.111 -2.915 2.545 436 HB2 MET 59 HB2 MET 59 -8.388 -0.825 1.413 437 HB3 MET 59 HB1 MET 59 -9.801 -1.070 2.426 438 HG2 MET 59 HG2 MET 59 -7.859 0.347 3.928 439 HG3 MET 59 HG1 MET 59 -8.023 1.120 2.364 440 HE1 MET 59 HE1 MET 59 -9.517 2.952 5.237 441 HE2 MET 59 HE2 MET 59 -10.024 3.652 3.701 442 HE3 MET 59 HE3 MET 59 -8.399 2.991 3.875 443 H LEU 60 HN LEU 60 -6.129 -2.452 1.533 444 HA LEU 60 HA LEU 60 -4.085 -1.328 3.331 445 HB2 LEU 60 HB2 LEU 60 -3.756 -3.515 1.274 446 HB3 LEU 60 HB1 LEU 60 -2.474 -2.855 2.271 447 HG LEU 60 HG LEU 60 -4.840 -4.481 3.200 448 HD11 LEU 60 HD11 LEU 60 -2.953 -5.941 4.064 449 HD12 LEU 60 HD12 LEU 60 -1.880 -4.988 3.040 450 HD13 LEU 60 HD13 LEU 60 -3.190 -5.921 2.315 451 HD21 LEU 60 HD21 LEU 60 -3.731 -4.308 5.445 452 HD22 LEU 60 HD22 LEU 60 -4.505 -2.832 4.869 453 HD23 LEU 60 HD23 LEU 60 -2.752 -3.001 4.778 454 H ARG 61 HN ARG 61 -2.631 0.121 2.510 455 HA ARG 61 HA ARG 61 -3.024 0.957 -0.301 456 HB2 ARG 61 HB2 ARG 61 -3.877 2.685 1.099 457 HB3 ARG 61 HB1 ARG 61 -2.503 2.585 2.188 458 HG2 ARG 61 HG2 ARG 61 -2.041 4.506 1.019 459 HG3 ARG 61 HG1 ARG 61 -1.131 3.311 0.097 460 HD2 ARG 61 HD2 ARG 61 -2.253 3.880 -1.729 461 HD3 ARG 61 HD1 ARG 61 -3.755 3.378 -0.957 462 HE ARG 61 HE ARG 61 -3.361 5.856 0.038 463 HH11 ARG 61 HH11 ARG 61 -3.397 4.579 -3.209 464 HH12 ARG 61 HH12 ARG 61 -3.971 6.052 -3.916 465 HH21 ARG 61 HH21 ARG 61 -4.116 7.794 -0.889 466 HH22 ARG 61 HH22 ARG 61 -4.379 7.878 -2.599 467 H LEU 62 HN LEU 62 -1.261 0.876 -1.560 468 HA LEU 62 HA LEU 62 1.382 0.764 -0.262 469 HB2 LEU 62 HB2 LEU 62 0.735 -0.639 -2.841 470 HB3 LEU 62 HB1 LEU 62 2.131 -0.861 -1.808 471 HG LEU 62 HG LEU 62 0.797 -2.780 -1.507 472 HD11 LEU 62 HD11 LEU 62 0.767 -2.824 0.738 473 HD12 LEU 62 HD12 LEU 62 -0.261 -1.396 0.859 474 HD13 LEU 62 HD13 LEU 62 1.473 -1.215 0.589 475 HD21 LEU 62 HD21 LEU 62 -1.287 -1.331 -2.370 476 HD22 LEU 62 HD22 LEU 62 -1.651 -1.373 -0.645 477 HD23 LEU 62 HD23 LEU 62 -1.460 -2.879 -1.543 478 H ILE 63 HN ILE 63 2.804 2.248 -0.927 479 HA ILE 63 HA ILE 63 2.111 3.820 -3.311 480 HB ILE 63 HB ILE 63 3.585 4.512 -0.801 481 HG12 ILE 63 HG12 ILE 63 1.917 6.584 -1.732 482 HG13 ILE 63 HG11 ILE 63 1.031 5.082 -1.987 483 HG21 ILE 63 HG21 ILE 63 4.192 6.684 -1.848 484 HG22 ILE 63 HG22 ILE 63 3.760 5.996 -3.414 485 HG23 ILE 63 HG23 ILE 63 5.089 5.305 -2.482 486 HD11 ILE 63 HD11 ILE 63 1.287 4.501 0.329 487 HD12 ILE 63 HD12 ILE 63 0.571 6.107 0.186 488 HD13 ILE 63 HD13 ILE 63 2.277 5.934 0.606 489 H GLY 64 HN GLY 64 3.192 3.262 -5.073 490 HA2 GLY 64 HA2 GLY 64 5.595 1.750 -5.052 491 HA3 GLY 64 HA1 GLY 64 4.855 2.494 -6.459 492 H LYS 65 HN LYS 65 7.069 2.986 -3.782 493 HA LYS 65 HA LYS 65 8.811 4.414 -3.473 494 HB2 LYS 65 HB2 LYS 65 8.686 3.929 -6.360 495 HB3 LYS 65 HB1 LYS 65 9.497 5.431 -5.938 496 HG2 LYS 65 HG2 LYS 65 10.286 3.046 -4.392 497 HG3 LYS 65 HG1 LYS 65 10.745 3.070 -6.096 498 HD2 LYS 65 HD2 LYS 65 11.236 5.529 -4.509 499 HD3 LYS 65 HD1 LYS 65 12.270 4.135 -4.191 500 HE2 LYS 65 HE2 LYS 65 13.275 4.246 -6.222 501 HE3 LYS 65 HE1 LYS 65 11.820 4.829 -7.029 502 HZ1 LYS 65 HZ1 LYS 65 13.964 6.323 -5.766 503 HZ2 LYS 65 HZ2 LYS 65 12.405 6.918 -5.490 504 HZ3 LYS 65 HZ3 LYS 65 12.974 6.742 -7.073 505 H VAL 66 HN VAL 66 9.527 6.691 -3.638 506 HA VAL 66 HA VAL 66 7.507 8.589 -4.529 507 HB VAL 66 HB VAL 66 7.789 9.798 -2.254 508 HG11 VAL 66 HG11 VAL 66 5.639 9.120 -2.832 509 HG12 VAL 66 HG12 VAL 66 5.920 8.320 -1.285 510 HG13 VAL 66 HG13 VAL 66 6.062 7.409 -2.789 511 HG21 VAL 66 HG21 VAL 66 7.943 7.160 -0.969 512 HG22 VAL 66 HG22 VAL 66 8.632 8.707 -0.476 513 HG23 VAL 66 HG23 VAL 66 9.449 7.725 -1.693 514 H ASP 67 HN ASP 67 8.321 10.562 -5.083 515 HA ASP 67 HA ASP 67 11.177 11.036 -4.552 516 HB2 ASP 67 HB2 ASP 67 9.722 10.980 -7.148 517 HB3 ASP 67 HB1 ASP 67 10.958 12.218 -6.940 518 H GLU 68 HN GLU 68 11.553 12.934 -3.624 519 HA GLU 68 HA GLU 68 9.597 15.081 -3.962 520 HB2 GLU 68 HB2 GLU 68 10.026 15.785 -1.674 521 HB3 GLU 68 HB1 GLU 68 9.492 14.110 -1.703 522 HG2 GLU 68 HG2 GLU 68 12.190 13.819 -1.830 523 HG3 GLU 68 HG1 GLU 68 12.035 15.267 -0.837 524 H SER 69 HN SER 69 11.738 14.826 -5.687 525 HA SER 69 HA SER 69 13.561 16.927 -4.808 526 HB2 SER 69 HB2 SER 69 14.900 15.036 -5.230 527 HB3 SER 69 HB1 SER 69 13.975 14.605 -6.668 528 HG SER 69 HG SER 69 15.826 16.715 -6.332 529 H LYS 70 HN LYS 70 11.494 15.815 -7.368 530 HA LYS 70 HA LYS 70 12.037 18.156 -8.982 531 HB2 LYS 70 HB2 LYS 70 10.493 17.070 -10.616 532 HB3 LYS 70 HB1 LYS 70 11.902 16.102 -10.204 533 HG2 LYS 70 HG2 LYS 70 9.805 15.451 -8.396 534 HG3 LYS 70 HG1 LYS 70 9.170 15.396 -10.042 535 HD2 LYS 70 HD2 LYS 70 11.723 14.035 -9.198 536 HD3 LYS 70 HD1 LYS 70 10.148 13.239 -9.190 537 HE2 LYS 70 HE2 LYS 70 10.168 14.263 -11.688 538 HE3 LYS 70 HE1 LYS 70 11.891 13.979 -11.448 539 HZ1 LYS 70 HZ1 LYS 70 10.886 12.047 -12.418 540 HZ2 LYS 70 HZ2 LYS 70 9.719 11.971 -11.197 541 HZ3 LYS 70 HZ3 LYS 70 11.344 11.675 -10.832 542 H LYS 71 HN LYS 71 10.257 17.721 -6.353 543 HA LYS 71 HA LYS 71 7.647 18.466 -6.964 544 HB2 LYS 71 HB2 LYS 71 7.416 19.069 -4.661 545 HB3 LYS 71 HB1 LYS 71 8.489 17.680 -4.740 546 HG2 LYS 71 HG2 LYS 71 10.035 20.084 -4.868 547 HG3 LYS 71 HG1 LYS 71 8.943 20.151 -3.484 548 HD2 LYS 71 HD2 LYS 71 9.841 17.631 -3.236 549 HD3 LYS 71 HD1 LYS 71 11.243 18.372 -4.011 550 HE2 LYS 71 HE2 LYS 71 10.811 20.233 -2.181 551 HE3 LYS 71 HE1 LYS 71 10.047 18.887 -1.337 552 HZ1 LYS 71 HZ1 LYS 71 12.613 19.413 -1.119 553 HZ2 LYS 71 HZ2 LYS 71 12.689 18.414 -2.481 554 HZ3 LYS 71 HZ3 LYS 71 12.013 17.833 -1.043 555 H ARG 72 HN ARG 72 7.053 20.769 -5.585 556 HA ARG 72 HA ARG 72 8.543 22.899 -6.947 557 HB2 ARG 72 HB2 ARG 72 6.139 23.973 -7.180 558 HB3 ARG 72 HB1 ARG 72 6.772 22.883 -8.406 559 HG2 ARG 72 HG2 ARG 72 4.484 22.324 -7.925 560 HG3 ARG 72 HG1 ARG 72 5.538 21.027 -7.357 561 HD2 ARG 72 HD2 ARG 72 5.111 21.456 -5.158 562 HD3 ARG 72 HD1 ARG 72 4.846 23.177 -5.434 563 HE ARG 72 HE ARG 72 2.623 22.733 -5.615 564 HH11 ARG 72 HH11 ARG 72 4.373 19.793 -6.306 565 HH12 ARG 72 HH12 ARG 72 2.942 18.831 -6.462 566 HH21 ARG 72 HH21 ARG 72 0.740 21.468 -5.818 567 HH22 ARG 72 HH22 ARG 72 0.880 19.781 -6.185 568 H LYS 73 HN LYS 73 8.836 24.724 -5.766 569 HA LYS 73 HA LYS 73 8.053 24.614 -2.977 570 HB2 LYS 73 HB2 LYS 73 9.836 26.482 -4.537 571 HB3 LYS 73 HB1 LYS 73 9.465 26.714 -2.834 572 HG2 LYS 73 HG2 LYS 73 11.405 25.569 -2.618 573 HG3 LYS 73 HG1 LYS 73 10.296 24.199 -2.701 574 HD2 LYS 73 HD2 LYS 73 11.680 23.485 -4.327 575 HD3 LYS 73 HD1 LYS 73 10.782 24.624 -5.333 576 HE2 LYS 73 HE2 LYS 73 12.553 26.335 -4.447 577 HE3 LYS 73 HE1 LYS 73 13.502 24.883 -4.129 578 HZ1 LYS 73 HZ1 LYS 73 12.628 26.005 -6.698 579 HZ2 LYS 73 HZ2 LYS 73 12.863 24.335 -6.575 580 HZ3 LYS 73 HZ3 LYS 73 14.141 25.395 -6.251 581 H ASP 74 HN ASP 74 7.123 26.483 -1.885 582 HA ASP 74 HA ASP 74 5.103 27.760 -3.546 583 HB2 ASP 74 HB2 ASP 74 5.200 27.476 -0.540 584 HB3 ASP 74 HB1 ASP 74 3.859 28.134 -1.473 585 H ASN 75 HN ASN 75 4.380 29.977 -2.543 586 HA ASN 75 HA ASN 75 6.505 31.779 -2.932 587 HB2 ASN 75 HB2 ASN 75 3.752 32.209 -1.767 588 HB3 ASN 75 HB1 ASN 75 4.867 33.510 -2.173 589 HD21 ASN 75 HD21 ASN 75 2.256 33.071 -3.245 590 HD22 ASN 75 HD22 ASN 75 2.437 32.829 -4.946 591 H GLU 76 HN GLU 76 5.329 30.179 -0.125 592 HA GLU 76 HA GLU 76 6.681 31.997 1.677 593 HB2 GLU 76 HB2 GLU 76 4.696 29.812 1.975 594 HB3 GLU 76 HB1 GLU 76 5.784 30.093 3.328 595 HG2 GLU 76 HG2 GLU 76 4.963 32.623 2.741 596 HG3 GLU 76 HG1 GLU 76 3.524 31.675 2.367 597 H GLY 77 HN GLY 77 8.125 30.232 -0.256 598 HA2 GLY 77 HA2 GLY 77 10.074 29.023 -0.276 599 HA3 GLY 77 HA1 GLY 77 10.275 29.498 1.403 600 H ASN 78 HN ASN 78 7.440 27.747 0.426 601 HA ASN 78 HA ASN 78 8.264 25.520 2.110 602 HB2 ASN 78 HB2 ASN 78 5.619 25.994 0.718 603 HB3 ASN 78 HB1 ASN 78 5.945 24.791 1.963 604 HD21 ASN 78 HD21 ASN 78 3.946 26.181 2.642 605 HD22 ASN 78 HD22 ASN 78 4.308 27.455 3.752 606 H GLU 79 HN GLU 79 7.012 23.372 1.079 607 HA GLU 79 HA GLU 79 7.550 23.026 -1.717 608 HB2 GLU 79 HB2 GLU 79 9.217 21.136 -1.258 609 HB3 GLU 79 HB1 GLU 79 9.810 22.786 -1.135 610 HG2 GLU 79 HG2 GLU 79 9.315 22.574 1.368 611 HG3 GLU 79 HG1 GLU 79 9.211 20.841 1.059 612 H VAL 80 HN VAL 80 7.555 20.452 -2.120 613 HA VAL 80 HA VAL 80 5.829 18.998 -0.335 614 HB VAL 80 HB VAL 80 4.418 20.613 -1.898 615 HG11 VAL 80 HG11 VAL 80 5.590 19.373 -3.908 616 HG12 VAL 80 HG12 VAL 80 3.909 19.899 -4.009 617 HG13 VAL 80 HG13 VAL 80 4.285 18.213 -3.652 618 HG21 VAL 80 HG21 VAL 80 2.861 18.315 -2.011 619 HG22 VAL 80 HG22 VAL 80 2.916 19.496 -0.702 620 HG23 VAL 80 HG23 VAL 80 3.936 18.059 -0.636 621 H VAL 81 HN VAL 81 4.904 17.050 -2.058 622 HA VAL 81 HA VAL 81 7.259 16.065 -3.449 623 HB VAL 81 HB VAL 81 5.587 14.358 -1.612 624 HG11 VAL 81 HG11 VAL 81 7.375 12.699 -1.963 625 HG12 VAL 81 HG12 VAL 81 8.135 13.789 -3.122 626 HG13 VAL 81 HG13 VAL 81 6.541 13.115 -3.461 627 HG21 VAL 81 HG21 VAL 81 7.931 14.305 -0.403 628 HG22 VAL 81 HG22 VAL 81 6.754 15.574 -0.065 629 HG23 VAL 81 HG23 VAL 81 8.098 15.888 -1.163 630 HA PRO 82 HA PRO 82 4.131 15.575 -6.623 631 HB2 PRO 82 HB2 PRO 82 5.675 13.937 -8.237 632 HB3 PRO 82 HB1 PRO 82 5.710 15.703 -8.257 633 HG2 PRO 82 HG2 PRO 82 7.540 13.788 -6.869 634 HG3 PRO 82 HG1 PRO 82 7.932 15.279 -7.748 635 HD2 PRO 82 HD2 PRO 82 7.880 15.240 -5.082 636 HD3 PRO 82 HD1 PRO 82 7.260 16.640 -5.984 637 H LYS 83 HN LYS 83 2.562 14.329 -5.697 638 HA LYS 83 HA LYS 83 2.675 11.834 -4.610 639 HB2 LYS 83 HB2 LYS 83 0.288 11.558 -5.413 640 HB3 LYS 83 HB1 LYS 83 0.629 13.014 -4.488 641 HG2 LYS 83 HG2 LYS 83 0.958 13.356 -7.368 642 HG3 LYS 83 HG1 LYS 83 -0.681 12.917 -6.883 643 HD2 LYS 83 HD2 LYS 83 -0.991 14.850 -5.688 644 HD3 LYS 83 HD1 LYS 83 0.730 15.045 -5.351 645 HE2 LYS 83 HE2 LYS 83 0.502 16.694 -6.896 646 HE3 LYS 83 HE1 LYS 83 0.805 15.348 -7.994 647 HZ1 LYS 83 HZ1 LYS 83 -1.590 15.099 -8.274 648 HZ2 LYS 83 HZ2 LYS 83 -1.083 16.649 -8.724 649 HZ3 LYS 83 HZ3 LYS 83 -1.865 16.412 -7.243 650 HA PRO 84 HA PRO 84 4.205 9.581 -8.258 651 HB2 PRO 84 HB2 PRO 84 4.288 7.389 -6.275 652 HB3 PRO 84 HB1 PRO 84 5.565 8.001 -7.330 653 HG2 PRO 84 HG2 PRO 84 5.580 8.484 -4.700 654 HG3 PRO 84 HG1 PRO 84 6.146 9.694 -5.867 655 HD2 PRO 84 HD2 PRO 84 3.553 9.553 -4.383 656 HD3 PRO 84 HD1 PRO 84 4.557 10.966 -4.769 657 H GLN 85 HN GLN 85 3.708 6.889 -8.476 658 HA GLN 85 HA GLN 85 0.859 6.892 -9.038 659 HB2 GLN 85 HB2 GLN 85 3.128 5.049 -9.763 660 HB3 GLN 85 HB1 GLN 85 1.452 4.613 -10.068 661 HG2 GLN 85 HG2 GLN 85 1.253 6.038 -11.793 662 HG3 GLN 85 HG1 GLN 85 2.261 7.269 -11.033 663 HE21 GLN 85 HE21 GLN 85 2.464 4.068 -12.534 664 HE22 GLN 85 HE22 GLN 85 3.993 4.328 -13.294 665 H ARG 86 HN ARG 86 0.345 6.891 -6.704 666 HA ARG 86 HA ARG 86 0.875 4.479 -5.211 667 HB2 ARG 86 HB2 ARG 86 -1.075 6.658 -4.476 668 HB3 ARG 86 HB1 ARG 86 -0.258 5.531 -3.402 669 HG2 ARG 86 HG2 ARG 86 1.833 6.624 -3.720 670 HG3 ARG 86 HG1 ARG 86 1.178 7.620 -5.021 671 HD2 ARG 86 HD2 ARG 86 -0.047 8.944 -3.566 672 HD3 ARG 86 HD1 ARG 86 -0.043 7.723 -2.294 673 HE ARG 86 HE ARG 86 2.580 8.691 -2.871 674 HH11 ARG 86 HH11 ARG 86 -0.362 9.414 -1.138 675 HH12 ARG 86 HH12 ARG 86 0.429 10.402 0.043 676 HH21 ARG 86 HH21 ARG 86 3.622 9.991 -1.318 677 HH22 ARG 86 HH22 ARG 86 2.691 10.731 -0.059 678 H HIS 87 HN HIS 87 -0.887 3.197 -4.246 679 HA HIS 87 HA HIS 87 -3.380 3.193 -5.759 680 HB2 HIS 87 HB2 HIS 87 -2.999 0.545 -5.766 681 HB3 HIS 87 HB1 HIS 87 -2.491 1.576 -7.097 682 HD1 HIS 87 HD1 HIS 87 -0.051 1.573 -7.667 683 HD2 HIS 87 HD2 HIS 87 -0.830 -0.196 -3.990 684 HE1 HIS 87 HE1 HIS 87 2.130 0.557 -6.935 685 HE2 HIS 87 HE2 HIS 87 1.611 -0.586 -4.751 686 H MET 88 HN MET 88 -5.097 2.670 -4.577 687 HA MET 88 HA MET 88 -4.653 1.901 -1.771 688 HB2 MET 88 HB2 MET 88 -6.085 3.956 -2.785 689 HB3 MET 88 HB1 MET 88 -7.340 2.730 -2.692 690 HG2 MET 88 HG2 MET 88 -5.598 3.237 -0.339 691 HG3 MET 88 HG1 MET 88 -6.913 4.349 -0.706 692 HE1 MET 88 HE1 MET 88 -9.155 2.848 1.783 693 HE2 MET 88 HE2 MET 88 -8.214 4.213 1.210 694 HE3 MET 88 HE3 MET 88 -7.458 2.992 2.241 695 H PHE 89 HN PHE 89 -4.838 -0.217 -1.424 696 HA PHE 89 HA PHE 89 -6.620 -1.818 -3.092 697 HB2 PHE 89 HB2 PHE 89 -4.122 -2.286 -1.841 698 HB3 PHE 89 HB1 PHE 89 -5.285 -3.360 -1.071 699 HD1 PHE 89 HD1 PHE 89 -7.058 -4.225 -3.065 700 HD2 PHE 89 HD2 PHE 89 -2.904 -3.385 -3.433 701 HE1 PHE 89 HE1 PHE 89 -6.926 -5.746 -4.993 702 HE2 PHE 89 HE2 PHE 89 -2.765 -4.905 -5.362 703 HZ PHE 89 HZ PHE 89 -4.781 -6.081 -6.140 704 H SER 90 HN SER 90 -8.579 -2.449 -2.428 705 HA SER 90 HA SER 90 -9.151 -2.390 0.459 706 HB2 SER 90 HB2 SER 90 -10.026 -0.408 -1.007 707 HB3 SER 90 HB1 SER 90 -11.231 -1.582 -1.537 708 HG SER 90 HG SER 90 -12.182 -0.787 0.209 709 H PHE 91 HN PHE 91 -10.131 -4.135 1.232 710 HA PHE 91 HA PHE 91 -11.599 -5.860 -0.628 711 HB2 PHE 91 HB2 PHE 91 -10.553 -7.614 1.283 712 HB3 PHE 91 HB1 PHE 91 -10.103 -7.494 -0.413 713 HD1 PHE 91 HD2 PHE 91 -8.410 -5.266 -0.704 714 HD2 PHE 91 HD1 PHE 91 -8.776 -7.852 2.654 715 HE1 PHE 91 HE2 PHE 91 -6.102 -4.738 -0.046 716 HE2 PHE 91 HE1 PHE 91 -6.470 -7.344 3.299 717 HZ PHE 91 HZ PHE 91 -5.125 -5.784 1.952 718 H ASN 92 HN ASN 92 -12.931 -7.522 0.659 719 HA ASN 92 HA ASN 92 -14.359 -6.016 2.716 720 HB2 ASN 92 HB2 ASN 92 -15.099 -8.362 0.979 721 HB3 ASN 92 HB1 ASN 92 -16.074 -7.903 2.371 722 HD21 ASN 92 HD21 ASN 92 -15.028 -7.028 -0.814 723 HD22 ASN 92 HD22 ASN 92 -16.161 -5.747 -1.058 724 H ASN 93 HN ASN 93 -11.815 -7.369 3.264 725 HA ASN 93 HA ASN 93 -12.777 -9.160 5.384 726 HB2 ASN 93 HB2 ASN 93 -10.301 -9.560 3.700 727 HB3 ASN 93 HB1 ASN 93 -10.758 -10.550 5.083 728 HD21 ASN 93 HD21 ASN 93 -12.351 -12.062 4.871 729 HD22 ASN 93 HD22 ASN 93 -13.063 -12.485 3.355 730 H ARG 94 HN ARG 94 -12.324 -8.417 7.314 731 HA ARG 94 HA ARG 94 -10.267 -6.397 7.674 732 HB2 ARG 94 HB2 ARG 94 -12.076 -7.598 9.774 733 HB3 ARG 94 HB1 ARG 94 -11.178 -6.090 9.876 734 HG2 ARG 94 HG2 ARG 94 -12.624 -4.986 8.432 735 HG3 ARG 94 HG1 ARG 94 -13.268 -6.491 7.773 736 HD2 ARG 94 HD2 ARG 94 -13.639 -6.060 10.672 737 HD3 ARG 94 HD1 ARG 94 -14.554 -4.999 9.601 738 HE ARG 94 HE ARG 94 -14.904 -7.589 8.670 739 HH11 ARG 94 HH11 ARG 94 -15.635 -5.759 11.551 740 HH12 ARG 94 HH12 ARG 94 -17.043 -6.690 11.936 741 HH21 ARG 94 HH21 ARG 94 -16.756 -8.814 9.175 742 HH22 ARG 94 HH22 ARG 94 -17.680 -8.425 10.588 743 H THR 95 HN THR 95 -10.870 -9.753 8.414 744 HA THR 95 HA THR 95 -8.699 -10.039 10.255 745 HB THR 95 HB THR 95 -10.890 -11.513 9.775 746 HG1 THR 95 HG1 THR 95 -8.465 -12.651 10.690 747 HG21 THR 95 HG21 THR 95 -10.157 -12.388 7.625 748 HG22 THR 95 HG22 THR 95 -10.307 -13.667 8.830 749 HG23 THR 95 HG23 THR 95 -8.713 -13.056 8.386 750 H VAL 96 HN VAL 96 -9.221 -10.820 6.846 751 HA VAL 96 HA VAL 96 -6.757 -12.020 6.307 752 HB VAL 96 HB VAL 96 -8.351 -10.299 4.401 753 HG11 VAL 96 HG11 VAL 96 -6.937 -10.912 2.796 754 HG12 VAL 96 HG12 VAL 96 -7.005 -12.605 3.285 755 HG13 VAL 96 HG13 VAL 96 -5.872 -11.506 4.070 756 HG21 VAL 96 HG21 VAL 96 -9.788 -12.011 3.999 757 HG22 VAL 96 HG22 VAL 96 -9.423 -12.366 5.687 758 HG23 VAL 96 HG23 VAL 96 -8.602 -13.251 4.402 759 H MET 97 HN MET 97 -7.719 -8.660 5.568 760 HA MET 97 HA MET 97 -5.341 -7.634 4.732 761 HB2 MET 97 HB2 MET 97 -6.087 -5.458 5.794 762 HB3 MET 97 HB1 MET 97 -7.227 -6.217 4.697 763 HG2 MET 97 HG2 MET 97 -8.732 -5.956 6.294 764 HG3 MET 97 HG1 MET 97 -7.921 -7.273 7.134 765 HE1 MET 97 HE1 MET 97 -6.081 -3.720 6.709 766 HE2 MET 97 HE2 MET 97 -7.108 -2.809 7.815 767 HE3 MET 97 HE3 MET 97 -7.804 -3.555 6.374 768 H ASP 98 HN ASP 98 -6.359 -7.608 8.154 769 HA ASP 98 HA ASP 98 -3.995 -6.552 9.186 770 HB2 ASP 98 HB2 ASP 98 -6.294 -6.934 10.319 771 HB3 ASP 98 HB1 ASP 98 -5.659 -8.527 10.720 772 H ASN 99 HN ASN 99 -4.677 -9.727 8.029 773 HA ASN 99 HA ASN 99 -2.474 -10.945 9.465 774 HB2 ASN 99 HB2 ASN 99 -4.567 -11.938 7.566 775 HB3 ASN 99 HB1 ASN 99 -3.135 -12.914 7.875 776 HD21 ASN 99 HD21 ASN 99 -5.056 -14.290 8.600 777 HD22 ASN 99 HD22 ASN 99 -5.455 -14.196 10.278 778 H ILE 100 HN ILE 100 -3.134 -9.706 6.244 779 HA ILE 100 HA ILE 100 -0.647 -10.783 5.217 780 HB ILE 100 HB ILE 100 -2.644 -10.678 3.767 781 HG12 ILE 100 HG12 ILE 100 -0.212 -9.095 2.923 782 HG13 ILE 100 HG11 ILE 100 -0.483 -10.822 2.720 783 HG21 ILE 100 HG21 ILE 100 -2.199 -7.702 3.750 784 HG22 ILE 100 HG22 ILE 100 -3.488 -8.511 4.641 785 HG23 ILE 100 HG23 ILE 100 -3.441 -8.601 2.880 786 HD11 ILE 100 HD11 ILE 100 -2.124 -8.683 1.390 787 HD12 ILE 100 HD12 ILE 100 -2.186 -10.423 1.092 788 HD13 ILE 100 HD13 ILE 100 -0.748 -9.503 0.648 789 H LYS 101 HN LYS 101 -1.986 -7.526 5.877 790 HA LYS 101 HA LYS 101 0.288 -6.106 5.060 791 HB2 LYS 101 HB2 LYS 101 -1.981 -5.131 5.554 792 HB3 LYS 101 HB1 LYS 101 -1.608 -5.287 7.265 793 HG2 LYS 101 HG2 LYS 101 0.323 -3.843 5.535 794 HG3 LYS 101 HG1 LYS 101 -1.189 -3.041 5.951 795 HD2 LYS 101 HD2 LYS 101 0.611 -4.293 8.008 796 HD3 LYS 101 HD1 LYS 101 0.770 -2.612 7.498 797 HE2 LYS 101 HE2 LYS 101 -1.272 -2.006 8.418 798 HE3 LYS 101 HE1 LYS 101 -1.872 -3.668 8.408 799 HZ1 LYS 101 HZ1 LYS 101 0.436 -3.428 10.050 800 HZ2 LYS 101 HZ2 LYS 101 -1.111 -3.980 10.453 801 HZ3 LYS 101 HZ3 LYS 101 -0.755 -2.329 10.536 802 H MET 102 HN MET 102 -0.627 -7.508 8.160 803 HA MET 102 HA MET 102 1.319 -6.508 9.826 804 HB2 MET 102 HB2 MET 102 -0.456 -8.004 10.602 805 HB3 MET 102 HB1 MET 102 0.276 -9.347 9.733 806 HG2 MET 102 HG2 MET 102 1.225 -9.820 11.694 807 HG3 MET 102 HG1 MET 102 2.349 -8.528 11.279 808 HE1 MET 102 HE1 MET 102 1.032 -9.869 14.192 809 HE2 MET 102 HE2 MET 102 -0.584 -9.703 13.506 810 HE3 MET 102 HE3 MET 102 -0.134 -8.777 14.937 811 H THR 103 HN THR 103 1.601 -8.934 7.331 812 HA THR 103 HA THR 103 4.269 -9.735 8.013 813 HB THR 103 HB THR 103 2.696 -10.106 5.453 814 HG1 THR 103 HG1 THR 103 3.055 -11.772 7.717 815 HG21 THR 103 HG21 THR 103 4.594 -12.177 5.992 816 HG22 THR 103 HG22 THR 103 5.409 -10.616 5.902 817 HG23 THR 103 HG23 THR 103 4.411 -11.168 4.557 818 H LEU 104 HN LEU 104 2.782 -7.453 5.789 819 HA LEU 104 HA LEU 104 5.215 -6.742 4.465 820 HB2 LEU 104 HB2 LEU 104 2.424 -5.675 4.526 821 HB3 LEU 104 HB1 LEU 104 3.697 -4.686 3.843 822 HG LEU 104 HG LEU 104 2.170 -6.618 2.534 823 HD11 LEU 104 HD11 LEU 104 3.870 -6.143 0.674 824 HD12 LEU 104 HD12 LEU 104 4.628 -5.057 1.839 825 HD13 LEU 104 HD13 LEU 104 2.959 -4.787 1.339 826 HD21 LEU 104 HD21 LEU 104 3.725 -8.283 1.759 827 HD22 LEU 104 HD22 LEU 104 3.637 -8.355 3.518 828 HD23 LEU 104 HD23 LEU 104 5.018 -7.588 2.735 829 H GLN 105 HN GLN 105 3.163 -5.094 6.867 830 HA GLN 105 HA GLN 105 4.487 -2.769 7.274 831 HB2 GLN 105 HB2 GLN 105 2.469 -3.865 8.544 832 HB3 GLN 105 HB1 GLN 105 3.708 -4.345 9.695 833 HG2 GLN 105 HG2 GLN 105 3.085 -2.370 10.617 834 HG3 GLN 105 HG1 GLN 105 4.353 -1.795 9.535 835 HE21 GLN 105 HE21 GLN 105 1.093 -1.581 10.400 836 HE22 GLN 105 HE22 GLN 105 0.566 -0.546 9.120 837 H GLN 106 HN GLN 106 5.405 -5.916 8.614 838 HA GLN 106 HA GLN 106 7.618 -4.975 10.103 839 HB2 GLN 106 HB2 GLN 106 6.986 -7.707 8.974 840 HB3 GLN 106 HB1 GLN 106 8.349 -7.384 10.037 841 HG2 GLN 106 HG2 GLN 106 6.772 -6.602 11.765 842 HG3 GLN 106 HG1 GLN 106 5.435 -7.041 10.703 843 HE21 GLN 106 HE21 GLN 106 4.898 -8.344 12.645 844 HE22 GLN 106 HE22 GLN 106 5.562 -9.935 12.754 845 H ILE 107 HN ILE 107 7.292 -6.294 6.831 846 HA ILE 107 HA ILE 107 10.030 -6.285 6.203 847 HB ILE 107 HB ILE 107 7.511 -6.720 4.796 848 HG12 ILE 107 HG12 ILE 107 10.269 -7.750 4.181 849 HG13 ILE 107 HG11 ILE 107 9.293 -8.363 5.515 850 HG21 ILE 107 HG21 ILE 107 9.759 -5.359 3.337 851 HG22 ILE 107 HG22 ILE 107 8.049 -4.933 3.367 852 HG23 ILE 107 HG23 ILE 107 8.579 -6.385 2.521 853 HD11 ILE 107 HD11 ILE 107 7.506 -8.884 3.810 854 HD12 ILE 107 HD12 ILE 107 8.976 -9.855 3.717 855 HD13 ILE 107 HD13 ILE 107 8.716 -8.539 2.573 856 H ILE 108 HN ILE 108 7.469 -3.999 5.186 857 HA ILE 108 HA ILE 108 9.145 -2.150 3.972 858 HB ILE 108 HB ILE 108 6.765 -1.211 5.533 859 HG12 ILE 108 HG12 ILE 108 5.954 -3.209 4.452 860 HG13 ILE 108 HG11 ILE 108 5.359 -1.817 3.560 861 HG21 ILE 108 HG21 ILE 108 7.000 0.633 4.318 862 HG22 ILE 108 HG22 ILE 108 7.056 -0.287 2.814 863 HG23 ILE 108 HG23 ILE 108 8.533 -0.027 3.745 864 HD11 ILE 108 HD11 ILE 108 6.430 -2.407 1.695 865 HD12 ILE 108 HD12 ILE 108 6.543 -3.994 2.455 866 HD13 ILE 108 HD13 ILE 108 7.895 -2.867 2.563 867 H SER 109 HN SER 109 8.435 -2.682 7.314 868 HA SER 109 HA SER 109 9.490 -0.255 8.326 869 HB2 SER 109 HB2 SER 109 7.979 -1.611 9.665 870 HB3 SER 109 HB1 SER 109 9.115 -2.959 9.637 871 HG SER 109 HG SER 109 9.812 -0.429 10.690 872 H ARG 110 HN ARG 110 10.887 -3.228 7.245 873 HA ARG 110 HA ARG 110 13.494 -2.495 8.365 874 HB2 ARG 110 HB2 ARG 110 14.056 -4.702 8.363 875 HB3 ARG 110 HB1 ARG 110 12.311 -4.898 8.410 876 HG2 ARG 110 HG2 ARG 110 12.284 -5.229 5.987 877 HG3 ARG 110 HG1 ARG 110 14.036 -5.030 5.943 878 HD2 ARG 110 HD2 ARG 110 13.558 -6.970 7.896 879 HD3 ARG 110 HD1 ARG 110 12.465 -7.366 6.571 880 HE ARG 110 HE ARG 110 14.274 -7.949 5.291 881 HH11 ARG 110 HH11 ARG 110 15.381 -6.175 8.085 882 HH12 ARG 110 HH12 ARG 110 17.055 -6.504 7.786 883 HH21 ARG 110 HH21 ARG 110 16.475 -8.383 4.897 884 HH22 ARG 110 HH22 ARG 110 17.676 -7.757 5.976 885 H TYR 111 HN TYR 111 11.932 -3.390 5.289 886 HA TYR 111 HA TYR 111 14.168 -3.006 3.645 887 HB2 TYR 111 HB2 TYR 111 11.226 -3.108 3.241 888 HB3 TYR 111 HB1 TYR 111 12.180 -2.385 1.951 889 HD1 TYR 111 HD2 TYR 111 13.428 -5.129 4.069 890 HD2 TYR 111 HD1 TYR 111 11.701 -4.081 0.326 891 HE1 TYR 111 HE2 TYR 111 13.953 -7.371 3.207 892 HE2 TYR 111 HE1 TYR 111 12.220 -6.321 -0.546 893 HH TYR 111 HH TYR 111 14.276 -8.506 1.105 894 H LYS 112 HN LYS 112 12.095 -0.749 5.215 895 HA LYS 112 HA LYS 112 12.503 1.492 3.536 896 HB2 LYS 112 HB2 LYS 112 11.485 1.006 6.279 897 HB3 LYS 112 HB1 LYS 112 12.041 2.634 5.927 898 HG2 LYS 112 HG2 LYS 112 10.199 1.362 3.984 899 HG3 LYS 112 HG1 LYS 112 9.537 1.872 5.539 900 HD2 LYS 112 HD2 LYS 112 11.049 3.609 3.587 901 HD3 LYS 112 HD1 LYS 112 9.308 3.641 3.878 902 HE2 LYS 112 HE2 LYS 112 9.946 4.107 6.328 903 HE3 LYS 112 HE1 LYS 112 11.541 4.501 5.687 904 HZ1 LYS 112 HZ1 LYS 112 10.799 6.403 4.776 905 HZ2 LYS 112 HZ2 LYS 112 9.572 6.273 5.933 906 HZ3 LYS 112 HZ3 LYS 112 9.294 5.760 4.346 907 H ASP 113 HN ASP 113 14.026 0.518 6.591 908 HA ASP 113 HA ASP 113 15.961 2.600 6.523 909 HB2 ASP 113 HB2 ASP 113 15.142 1.618 8.630 910 HB3 ASP 113 HB1 ASP 113 15.903 0.090 8.197 911 H ALA 114 HN ALA 114 15.746 -0.058 4.638 912 HA ALA 114 HA ALA 114 18.671 -0.328 4.453 913 HB1 ALA 114 HB1 ALA 114 16.930 -2.297 5.065 914 HB2 ALA 114 HB2 ALA 114 18.495 -2.557 4.292 915 HB3 ALA 114 HB3 ALA 114 17.030 -2.475 3.313 916 H ASP 115 HN ASP 115 15.666 0.106 2.712 917 HA ASP 115 HA ASP 115 16.585 -0.233 0.094 918 HB2 ASP 115 HB2 ASP 115 14.290 1.148 1.377 919 HB3 ASP 115 HB1 ASP 115 14.682 1.630 -0.271 920 H2 PRO 59 HT1 PRO 59 -17.801 -1.944 -14.925 921 H3 PRO 59 HT2 PRO 59 -18.007 -0.321 -15.108 922 HA PRO 59 HA PRO 59 -19.354 -0.128 -13.536 923 HB2 PRO 59 HB2 PRO 59 -20.866 -2.514 -13.349 924 HB3 PRO 59 HB1 PRO 59 -21.397 -0.950 -13.983 925 HG2 PRO 59 HG2 PRO 59 -20.362 -3.327 -15.434 926 HG3 PRO 59 HG1 PRO 59 -21.553 -2.121 -15.952 927 HD2 PRO 59 HD2 PRO 59 -19.083 -2.107 -16.956 928 HD3 PRO 59 HD1 PRO 59 -19.909 -0.585 -16.574 929 H GLY 60 HN GLY 60 -19.951 -1.393 -11.397 930 HA2 GLY 60 HA2 GLY 60 -19.020 -3.559 -10.286 931 HA3 GLY 60 HA1 GLY 60 -17.483 -2.771 -10.606 932 H GLU 61 HN GLU 61 -17.318 -3.029 -8.218 933 HA GLU 61 HA GLU 61 -18.851 -1.027 -6.726 934 HB2 GLU 61 HB2 GLU 61 -18.297 -3.574 -6.054 935 HB3 GLU 61 HB1 GLU 61 -16.908 -2.777 -5.329 936 HG2 GLU 61 HG2 GLU 61 -18.929 -1.181 -4.481 937 HG3 GLU 61 HG1 GLU 61 -19.728 -2.752 -4.538 938 H GLU 62 HN GLU 62 -17.905 0.915 -7.103 939 HA GLU 62 HA GLU 62 -15.010 1.176 -6.961 940 HB2 GLU 62 HB2 GLU 62 -16.387 2.355 -8.705 941 HB3 GLU 62 HB1 GLU 62 -17.064 3.343 -7.418 942 HG2 GLU 62 HG2 GLU 62 -14.842 4.194 -6.891 943 HG3 GLU 62 HG1 GLU 62 -14.152 3.191 -8.167 944 H GLU 63 HN GLU 63 -15.753 0.357 -4.563 945 HA GLU 63 HA GLU 63 -15.651 0.817 -2.338 946 HB2 GLU 63 HB2 GLU 63 -14.264 3.134 -3.589 947 HB3 GLU 63 HB1 GLU 63 -14.697 3.269 -1.890 948 HG2 GLU 63 HG2 GLU 63 -12.445 2.461 -2.091 949 HG3 GLU 63 HG1 GLU 63 -13.472 1.187 -1.435 950 H ASP 64 HN ASP 64 -16.232 2.793 -0.703 951 HA ASP 64 HA ASP 64 -19.020 3.379 -1.323 952 HB2 ASP 64 HB2 ASP 64 -17.393 3.186 1.161 953 HB3 ASP 64 HB1 ASP 64 -18.777 4.275 1.185 954 H ASP 65 HN ASP 65 -16.043 5.055 -0.413 955 HA ASP 65 HA ASP 65 -15.355 7.142 -1.197 956 HB2 ASP 65 HB2 ASP 65 -17.435 7.125 -2.744 957 HB3 ASP 65 HB1 ASP 65 -18.216 8.043 -1.460 958 H GLU 66 HN GLU 66 -14.513 7.794 0.656 959 HA GLU 66 HA GLU 66 -14.292 9.049 2.544 960 HB2 GLU 66 HB2 GLU 66 -15.772 10.706 2.995 961 HB3 GLU 66 HB1 GLU 66 -16.438 10.248 1.437 962 HG2 GLU 66 HG2 GLU 66 -18.365 10.194 2.581 963 HG3 GLU 66 HG1 GLU 66 -17.820 8.582 3.037 964 H ARG 67 HN ARG 67 -15.669 6.183 2.187 965 HA ARG 67 HA ARG 67 -16.077 5.815 5.053 966 HB2 ARG 67 HB2 ARG 67 -17.573 4.614 2.748 967 HB3 ARG 67 HB1 ARG 67 -17.567 3.854 4.333 968 HG2 ARG 67 HG2 ARG 67 -18.449 6.687 3.843 969 HG3 ARG 67 HG1 ARG 67 -19.542 5.302 3.869 970 HD2 ARG 67 HD2 ARG 67 -17.716 5.601 6.177 971 HD3 ARG 67 HD1 ARG 67 -19.007 6.794 6.031 972 HE ARG 67 HE ARG 67 -19.976 4.130 5.726 973 HH11 ARG 67 HH11 ARG 67 -18.997 6.496 8.097 974 HH12 ARG 67 HH12 ARG 67 -19.977 5.824 9.356 975 HH21 ARG 67 HH21 ARG 67 -21.266 3.244 7.382 976 HH22 ARG 67 HH22 ARG 67 -21.265 3.978 8.951 977 H GLY 68 HN GLY 68 -15.872 3.529 2.402 978 HA2 GLY 68 HA2 GLY 68 -13.990 1.913 3.841 979 HA3 GLY 68 HA1 GLY 68 -14.659 1.563 2.260 980 H ALA 69 HN ALA 69 -13.311 4.696 2.597 981 HA ALA 69 HA ALA 69 -10.637 3.944 1.839 982 HB1 ALA 69 HB1 ALA 69 -11.860 5.704 -0.185 983 HB2 ALA 69 HB2 ALA 69 -12.355 4.012 -0.227 984 HB3 ALA 69 HB3 ALA 69 -10.648 4.435 -0.364 985 H ASP 70 HN ASP 70 -11.498 5.346 4.047 986 HA ASP 70 HA ASP 70 -10.047 7.800 3.727 987 HB2 ASP 70 HB2 ASP 70 -12.352 8.370 2.906 988 HB3 ASP 70 HB1 ASP 70 -12.950 8.027 4.526 989 H ALA 71 HN ALA 71 -9.242 5.875 5.286 990 HA ALA 71 HA ALA 71 -9.161 6.998 7.878 991 HB1 ALA 71 HB1 ALA 71 -11.460 5.921 7.870 992 HB2 ALA 71 HB2 ALA 71 -10.375 5.466 9.192 993 HB3 ALA 71 HB3 ALA 71 -10.609 4.375 7.819 994 H THR 72 HN THR 72 -7.366 5.973 5.840 995 HA THR 72 HA THR 72 -6.028 3.968 7.502 996 HB THR 72 HB THR 72 -6.316 3.878 4.506 997 HG1 THR 72 HG1 THR 72 -7.351 1.890 5.036 998 HG21 THR 72 HG21 THR 72 -4.744 2.137 6.363 999 HG22 THR 72 HG22 THR 72 -4.153 3.038 4.972 1000 HG23 THR 72 HG23 THR 72 -5.218 1.652 4.739 1001 H TRP 73 HN TRP 73 -5.763 6.984 6.172 1002 HA TRP 73 HA TRP 73 -2.876 6.743 5.711 1003 HB2 TRP 73 HB2 TRP 73 -4.350 9.320 5.326 1004 HB3 TRP 73 HB1 TRP 73 -2.955 8.690 4.456 1005 HD1 TRP 73 HD1 TRP 73 -5.886 9.748 3.264 1006 HE1 TRP 73 HE1 TRP 73 -7.065 8.213 1.567 1007 HE3 TRP 73 HE3 TRP 73 -3.487 5.397 4.330 1008 HZ2 TRP 73 HZ2 TRP 73 -6.972 5.497 0.798 1009 HZ3 TRP 73 HZ3 TRP 73 -4.082 3.364 3.078 1010 HH2 TRP 73 HH2 TRP 73 -5.791 3.410 1.380 1011 H ASP 74 HN ASP 74 -3.925 6.481 8.345 1012 HA ASP 74 HA ASP 74 -2.401 8.588 9.618 1013 HB2 ASP 74 HB2 ASP 74 -4.926 9.229 9.395 1014 HB3 ASP 74 HB1 ASP 74 -5.152 8.077 10.707 1015 H LEU 75 HN LEU 75 -2.331 5.599 9.271 1016 HA LEU 75 HA LEU 75 -2.039 4.989 12.117 1017 HB2 LEU 75 HB2 LEU 75 -2.649 2.646 11.697 1018 HB3 LEU 75 HB1 LEU 75 -3.965 3.771 11.457 1019 HG LEU 75 HG LEU 75 -3.853 1.917 9.800 1020 HD11 LEU 75 HD11 LEU 75 -3.487 4.605 8.531 1021 HD12 LEU 75 HD12 LEU 75 -4.951 4.126 9.380 1022 HD13 LEU 75 HD13 LEU 75 -4.443 3.252 7.932 1023 HD21 LEU 75 HD21 LEU 75 -1.541 3.377 8.580 1024 HD22 LEU 75 HD22 LEU 75 -2.190 1.788 8.163 1025 HD23 LEU 75 HD23 LEU 75 -1.310 2.014 9.676 1026 H ASP 76 HN ASP 76 -0.505 5.346 9.226 1027 HA ASP 76 HA ASP 76 1.684 3.576 10.062 1028 HB2 ASP 76 HB2 ASP 76 0.312 3.313 7.741 1029 HB3 ASP 76 HB1 ASP 76 1.584 4.418 7.229 1030 H LEU 77 HN LEU 77 3.544 4.632 8.148 1031 HA LEU 77 HA LEU 77 5.112 6.266 7.956 1032 HB2 LEU 77 HB2 LEU 77 2.579 7.803 8.324 1033 HB3 LEU 77 HB1 LEU 77 4.103 8.672 8.380 1034 HG LEU 77 HG LEU 77 4.418 7.214 6.099 1035 HD11 LEU 77 HD11 LEU 77 2.049 7.957 5.031 1036 HD12 LEU 77 HD12 LEU 77 1.540 7.446 6.640 1037 HD13 LEU 77 HD13 LEU 77 2.417 6.327 5.596 1038 HD21 LEU 77 HD21 LEU 77 4.836 9.626 6.454 1039 HD22 LEU 77 HD22 LEU 77 3.106 9.923 6.280 1040 HD23 LEU 77 HD23 LEU 77 4.032 9.283 4.922 1041 H LEU 78 HN LEU 78 6.384 5.644 9.702 1042 HA LEU 78 HA LEU 78 6.885 7.537 11.675 1043 HB2 LEU 78 HB2 LEU 78 6.141 6.244 13.695 1044 HB3 LEU 78 HB1 LEU 78 4.859 6.989 12.761 1045 HG LEU 78 HG LEU 78 4.874 4.540 11.632 1046 HD11 LEU 78 HD11 LEU 78 5.326 2.824 13.145 1047 HD12 LEU 78 HD12 LEU 78 5.391 3.926 14.520 1048 HD13 LEU 78 HD13 LEU 78 6.691 3.924 13.329 1049 HD21 LEU 78 HD21 LEU 78 3.380 4.667 14.169 1050 HD22 LEU 78 HD22 LEU 78 2.811 4.369 12.526 1051 HD23 LEU 78 HD23 LEU 78 3.133 6.018 13.062 1052 H LEU 79 HN LEU 79 6.979 4.126 10.808 1053 HA LEU 79 HA LEU 79 9.192 3.417 12.415 1054 HB2 LEU 79 HB2 LEU 79 8.028 2.220 9.911 1055 HB3 LEU 79 HB1 LEU 79 9.408 1.517 10.734 1056 HG LEU 79 HG LEU 79 6.993 2.033 12.378 1057 HD11 LEU 79 HD11 LEU 79 5.616 0.545 11.425 1058 HD12 LEU 79 HD12 LEU 79 6.932 -0.541 10.980 1059 HD13 LEU 79 HD13 LEU 79 6.561 0.856 9.969 1060 HD21 LEU 79 HD21 LEU 79 7.931 0.524 13.743 1061 HD22 LEU 79 HD22 LEU 79 9.389 0.800 12.791 1062 HD23 LEU 79 HD23 LEU 79 8.339 -0.567 12.419 1063 H THR 80 HN THR 80 11.304 2.659 11.483 1064 HA THR 80 HA THR 80 13.329 3.260 10.630 1065 HB THR 80 HB THR 80 13.420 3.533 8.219 1066 HG1 THR 80 HG1 THR 80 11.725 4.983 7.925 1067 HG21 THR 80 HG21 THR 80 11.122 1.729 8.244 1068 HG22 THR 80 HG22 THR 80 12.378 1.333 9.417 1069 HG23 THR 80 HG23 THR 80 12.780 1.458 7.705 1070 H ASN 81 HN ASN 81 13.943 5.024 11.812 1071 HA ASN 81 HA ASN 81 13.500 7.635 10.532 1072 HB2 ASN 81 HB2 ASN 81 13.458 8.643 12.832 1073 HB3 ASN 81 HB1 ASN 81 12.067 7.629 12.460 1074 HD21 ASN 81 HD21 ASN 81 13.586 8.441 14.979 1075 HD22 ASN 81 HD22 ASN 81 13.805 6.947 15.818 1076 H PHE 82 HN PHE 82 15.137 9.267 11.152 1077 HA PHE 82 HA PHE 82 17.300 9.961 11.266 1078 HB2 PHE 82 HB2 PHE 82 17.243 7.710 13.240 1079 HB3 PHE 82 HB1 PHE 82 18.783 8.460 12.834 1080 HD1 PHE 82 HD2 PHE 82 15.348 9.284 13.993 1081 HD2 PHE 82 HD1 PHE 82 19.460 10.379 13.936 1082 HE1 PHE 82 HE2 PHE 82 14.886 11.086 15.604 1083 HE2 PHE 82 HE1 PHE 82 19.006 12.182 15.548 1084 HZ PHE 82 HZ PHE 82 16.716 12.538 16.383 1085 H SER 83 HN SER 83 16.478 8.102 9.170 1086 HA SER 83 HA SER 83 19.119 7.410 8.222 1087 HB2 SER 83 HB2 SER 83 18.442 5.393 9.499 1088 HB3 SER 83 HB1 SER 83 17.010 5.252 8.479 1089 HG SER 83 HG SER 83 18.752 3.927 7.765 1090 H GLY 84 HN GLY 84 19.238 7.928 6.139 1091 HA2 GLY 84 HA2 GLY 84 16.839 7.648 4.464 1092 HA3 GLY 84 HA1 GLY 84 17.655 9.203 4.528 1093 HA PRO 85 HA PRO 85 20.195 7.876 1.176 1094 HB2 PRO 85 HB2 PRO 85 22.450 9.323 1.603 1095 HB3 PRO 85 HB1 PRO 85 20.944 10.044 1.022 1096 HG2 PRO 85 HG2 PRO 85 22.069 9.987 3.796 1097 HG3 PRO 85 HG1 PRO 85 21.303 11.330 2.927 1098 HD2 PRO 85 HD2 PRO 85 19.985 9.843 4.767 1099 HD3 PRO 85 HD1 PRO 85 19.174 10.561 3.360 Start of MODEL 4 1 H2 PRO 1 HT1 PRO 1 0.406 -17.385 4.880 2 H3 PRO 1 HT2 PRO 1 1.022 -18.908 4.930 3 HA PRO 1 HA PRO 1 2.145 -18.051 6.476 4 HB2 PRO 1 HB2 PRO 1 4.311 -17.075 5.070 5 HB3 PRO 1 HB1 PRO 1 3.975 -18.788 5.352 6 HG2 PRO 1 HG2 PRO 1 3.889 -17.392 2.867 7 HG3 PRO 1 HG1 PRO 1 3.458 -19.082 3.173 8 HD2 PRO 1 HD2 PRO 1 1.696 -16.678 2.986 9 HD3 PRO 1 HD1 PRO 1 1.356 -18.364 2.543 10 H SER 2 HN SER 2 0.225 -16.045 5.743 11 HA SER 2 HA SER 2 -0.265 -13.890 6.280 12 HB2 SER 2 HB2 SER 2 1.005 -12.784 7.867 13 HB3 SER 2 HB1 SER 2 1.537 -14.447 8.116 14 HG SER 2 HG SER 2 3.110 -12.513 7.732 15 H HIS 3 HN HIS 3 1.098 -14.756 3.724 16 HA HIS 3 HA HIS 3 1.922 -12.073 2.832 17 HB2 HIS 3 HB2 HIS 3 2.943 -14.768 1.927 18 HB3 HIS 3 HB1 HIS 3 3.276 -13.268 1.070 19 HD1 HIS 3 HD1 HIS 3 3.519 -14.151 4.771 20 HD2 HIS 3 HD2 HIS 3 5.826 -12.617 1.675 21 HE1 HIS 3 HE1 HIS 3 5.735 -13.574 5.807 22 HE2 HIS 3 HE2 HIS 3 7.087 -12.574 3.932 23 H SER 4 HN SER 4 0.257 -15.038 2.026 24 HA SER 4 HA SER 4 -0.840 -13.840 -0.387 25 HB2 SER 4 HB2 SER 4 -1.859 -16.016 -0.815 26 HB3 SER 4 HB1 SER 4 -0.137 -16.203 -0.469 27 HG SER 4 HG SER 4 -0.703 -16.814 1.655 28 H GLY 5 HN GLY 5 -2.799 -13.041 -0.579 29 HA2 GLY 5 HA2 GLY 5 -4.937 -13.680 1.246 30 HA3 GLY 5 HA1 GLY 5 -4.307 -12.046 1.427 31 H ALA 6 HN ALA 6 -6.796 -11.935 0.777 32 HA ALA 6 HA ALA 6 -6.948 -11.844 -2.153 33 HB1 ALA 6 HB1 ALA 6 -9.105 -11.939 -0.059 34 HB2 ALA 6 HB2 ALA 6 -8.712 -13.154 -1.278 35 HB3 ALA 6 HB3 ALA 6 -9.422 -11.613 -1.764 36 H ALA 7 HN ALA 7 -7.421 -10.015 -3.243 37 HA ALA 7 HA ALA 7 -8.048 -7.576 -1.812 38 HB1 ALA 7 HB1 ALA 7 -6.150 -6.348 -2.420 39 HB2 ALA 7 HB2 ALA 7 -5.626 -7.571 -3.577 40 HB3 ALA 7 HB3 ALA 7 -5.515 -7.889 -1.846 41 H ILE 8 HN ILE 8 -8.617 -5.790 -3.242 42 HA ILE 8 HA ILE 8 -9.239 -6.689 -5.971 43 HB ILE 8 HB ILE 8 -11.112 -5.198 -4.136 44 HG12 ILE 8 HG12 ILE 8 -11.854 -7.732 -5.475 45 HG13 ILE 8 HG11 ILE 8 -10.679 -7.849 -4.168 46 HG21 ILE 8 HG21 ILE 8 -11.038 -5.591 -7.065 47 HG22 ILE 8 HG22 ILE 8 -11.745 -4.280 -6.119 48 HG23 ILE 8 HG23 ILE 8 -12.604 -5.811 -6.285 49 HD11 ILE 8 HD11 ILE 8 -13.544 -7.137 -4.086 50 HD12 ILE 8 HD12 ILE 8 -12.470 -6.330 -2.943 51 HD13 ILE 8 HD13 ILE 8 -12.576 -8.091 -2.963 52 H PHE 9 HN PHE 9 -9.150 -5.191 -7.563 53 HA PHE 9 HA PHE 9 -8.601 -2.407 -6.904 54 HB2 PHE 9 HB2 PHE 9 -6.379 -3.400 -6.949 55 HB3 PHE 9 HB1 PHE 9 -6.708 -4.132 -8.516 56 HD1 PHE 9 HD1 PHE 9 -6.985 -2.687 -10.506 57 HD2 PHE 9 HD2 PHE 9 -5.647 -1.165 -6.767 58 HE1 PHE 9 HE1 PHE 9 -6.107 -0.682 -11.640 59 HE2 PHE 9 HE2 PHE 9 -4.770 0.843 -7.886 60 HZ PHE 9 HZ PHE 9 -4.999 1.086 -10.329 61 H GLU 10 HN GLU 10 -9.159 -0.970 -8.531 62 HA GLU 10 HA GLU 10 -10.490 -0.236 -10.222 63 HB2 GLU 10 HB2 GLU 10 -8.507 -2.056 -11.389 64 HB3 GLU 10 HB1 GLU 10 -9.914 -1.779 -12.406 65 HG2 GLU 10 HG2 GLU 10 -9.565 0.629 -12.231 66 HG3 GLU 10 HG1 GLU 10 -8.142 0.344 -11.229 67 H LYS 11 HN LYS 11 -11.692 -2.184 -8.532 68 HA LYS 11 HA LYS 11 -13.673 -3.283 -8.386 69 HB2 LYS 11 HB2 LYS 11 -14.247 -3.000 -11.299 70 HB3 LYS 11 HB1 LYS 11 -15.333 -2.857 -9.925 71 HG2 LYS 11 HG2 LYS 11 -13.958 -0.707 -9.407 72 HG3 LYS 11 HG1 LYS 11 -13.493 -0.823 -11.106 73 HD2 LYS 11 HD2 LYS 11 -16.377 -1.073 -10.415 74 HD3 LYS 11 HD1 LYS 11 -15.637 0.527 -10.336 75 HE2 LYS 11 HE2 LYS 11 -16.351 0.494 -12.517 76 HE3 LYS 11 HE1 LYS 11 -14.710 -0.126 -12.698 77 HZ1 LYS 11 HZ1 LYS 11 -15.939 -2.401 -12.356 78 HZ2 LYS 11 HZ2 LYS 11 -15.866 -1.670 -13.880 79 HZ3 LYS 11 HZ3 LYS 11 -17.266 -1.531 -12.942 80 H VAL 12 HN VAL 12 -11.061 -4.499 -9.559 81 HA VAL 12 HA VAL 12 -12.334 -6.973 -10.543 82 HB VAL 12 HB VAL 12 -9.468 -6.222 -11.088 83 HG11 VAL 12 HG11 VAL 12 -10.357 -7.789 -13.137 84 HG12 VAL 12 HG12 VAL 12 -11.265 -8.432 -11.769 85 HG13 VAL 12 HG13 VAL 12 -9.503 -8.377 -11.710 86 HG21 VAL 12 HG21 VAL 12 -11.945 -5.401 -12.542 87 HG22 VAL 12 HG22 VAL 12 -10.471 -5.731 -13.453 88 HG23 VAL 12 HG23 VAL 12 -10.478 -4.480 -12.211 89 H SER 13 HN SER 13 -12.177 -8.649 -9.194 90 HA SER 13 HA SER 13 -10.435 -8.413 -6.897 91 HB2 SER 13 HB2 SER 13 -11.595 -10.404 -6.050 92 HB3 SER 13 HB1 SER 13 -12.738 -9.156 -6.546 93 HG SER 13 HG SER 13 -13.431 -10.400 -8.118 94 H GLY 14 HN GLY 14 -9.043 -10.021 -6.171 95 HA2 GLY 14 HA2 GLY 14 -8.194 -12.210 -7.784 96 HA3 GLY 14 HA1 GLY 14 -7.105 -10.836 -7.945 97 H ILE 15 HN ILE 15 -5.780 -12.799 -6.978 98 HA ILE 15 HA ILE 15 -5.945 -12.642 -4.043 99 HB ILE 15 HB ILE 15 -4.219 -14.646 -5.452 100 HG12 ILE 15 HG12 ILE 15 -6.417 -16.129 -4.957 101 HG13 ILE 15 HG11 ILE 15 -7.185 -14.597 -5.362 102 HG21 ILE 15 HG21 ILE 15 -5.125 -15.938 -3.345 103 HG22 ILE 15 HG22 ILE 15 -5.455 -14.307 -2.762 104 HG23 ILE 15 HG23 ILE 15 -3.808 -14.774 -3.196 105 HD11 ILE 15 HD11 ILE 15 -5.143 -15.184 -7.274 106 HD12 ILE 15 HD12 ILE 15 -6.877 -14.971 -7.516 107 HD13 ILE 15 HD13 ILE 15 -6.231 -16.562 -7.111 108 H ILE 16 HN ILE 16 -4.392 -11.694 -2.952 109 HA ILE 16 HA ILE 16 -2.105 -10.619 -4.431 110 HB ILE 16 HB ILE 16 -3.537 -8.969 -3.392 111 HG12 ILE 16 HG12 ILE 16 -1.079 -9.107 -1.664 112 HG13 ILE 16 HG11 ILE 16 -0.991 -8.720 -3.381 113 HG21 ILE 16 HG21 ILE 16 -3.785 -8.861 -0.936 114 HG22 ILE 16 HG22 ILE 16 -3.018 -10.442 -0.823 115 HG23 ILE 16 HG23 ILE 16 -4.561 -10.270 -1.661 116 HD11 ILE 16 HD11 ILE 16 -2.822 -6.949 -2.722 117 HD12 ILE 16 HD12 ILE 16 -1.101 -6.625 -2.504 118 HD13 ILE 16 HD13 ILE 16 -2.084 -7.130 -1.129 119 H ALA 17 HN ALA 17 -0.082 -11.441 -4.015 120 HA ALA 17 HA ALA 17 0.390 -12.622 -1.362 121 HB1 ALA 17 HB1 ALA 17 1.299 -14.622 -2.215 122 HB2 ALA 17 HB2 ALA 17 1.304 -14.004 -3.867 123 HB3 ALA 17 HB3 ALA 17 -0.224 -14.381 -3.071 124 H ILE 18 HN ILE 18 2.448 -12.432 -0.558 125 HA ILE 18 HA ILE 18 4.204 -10.587 -1.996 126 HB ILE 18 HB ILE 18 4.371 -11.641 0.831 127 HG12 ILE 18 HG12 ILE 18 3.873 -8.780 0.223 128 HG13 ILE 18 HG11 ILE 18 2.544 -9.896 -0.080 129 HG21 ILE 18 HG21 ILE 18 6.065 -9.891 1.167 130 HG22 ILE 18 HG22 ILE 18 6.001 -9.516 -0.555 131 HG23 ILE 18 HG23 ILE 18 6.577 -11.093 -0.017 132 HD11 ILE 18 HD11 ILE 18 2.063 -9.457 2.064 133 HD12 ILE 18 HD12 ILE 18 3.717 -8.987 2.452 134 HD13 ILE 18 HD13 ILE 18 3.280 -10.694 2.375 135 H ASN 19 HN ASN 19 6.305 -11.036 -2.534 136 HA ASN 19 HA ASN 19 7.183 -13.842 -2.313 137 HB2 ASN 19 HB2 ASN 19 7.380 -11.970 -4.670 138 HB3 ASN 19 HB1 ASN 19 8.319 -13.454 -4.542 139 HD21 ASN 19 HD21 ASN 19 5.414 -12.079 -5.509 140 HD22 ASN 19 HD22 ASN 19 4.534 -13.533 -5.818 141 H GLU 20 HN GLU 20 8.815 -13.916 -0.965 142 HA GLU 20 HA GLU 20 10.779 -11.736 -0.998 143 HB2 GLU 20 HB2 GLU 20 10.073 -13.746 1.141 144 HB3 GLU 20 HB1 GLU 20 11.493 -12.713 1.233 145 HG2 GLU 20 HG2 GLU 20 9.688 -10.823 0.821 146 HG3 GLU 20 HG1 GLU 20 8.625 -12.035 1.534 147 H ASP 21 HN ASP 21 10.578 -13.917 -2.883 148 HA ASP 21 HA ASP 21 12.979 -15.496 -2.303 149 HB2 ASP 21 HB2 ASP 21 10.837 -15.777 -4.418 150 HB3 ASP 21 HB1 ASP 21 12.290 -16.771 -4.370 151 H VAL 22 HN VAL 22 11.768 -12.934 -4.291 152 HA VAL 22 HA VAL 22 14.163 -12.997 -5.984 153 HB VAL 22 HB VAL 22 12.709 -10.792 -6.800 154 HG11 VAL 22 HG11 VAL 22 12.138 -12.149 -8.747 155 HG12 VAL 22 HG12 VAL 22 12.552 -13.612 -7.852 156 HG13 VAL 22 HG13 VAL 22 13.803 -12.429 -8.235 157 HG21 VAL 22 HG21 VAL 22 10.765 -12.996 -6.117 158 HG22 VAL 22 HG22 VAL 22 10.404 -11.573 -7.095 159 HG23 VAL 22 HG23 VAL 22 10.818 -11.390 -5.390 160 H SER 23 HN SER 23 15.183 -10.805 -6.445 161 HA SER 23 HA SER 23 16.349 -9.771 -4.181 162 HB2 SER 23 HB2 SER 23 16.129 -8.900 -6.986 163 HB3 SER 23 HB1 SER 23 16.487 -7.613 -5.835 164 HG SER 23 HG SER 23 18.177 -9.117 -5.047 165 HA PRO 24 HA PRO 24 13.279 -6.179 -3.805 166 HB2 PRO 24 HB2 PRO 24 11.472 -5.636 -5.697 167 HB3 PRO 24 HB1 PRO 24 13.159 -5.126 -5.873 168 HG2 PRO 24 HG2 PRO 24 11.747 -7.459 -7.104 169 HG3 PRO 24 HG1 PRO 24 12.920 -6.349 -7.835 170 HD2 PRO 24 HD2 PRO 24 13.542 -8.857 -6.876 171 HD3 PRO 24 HD1 PRO 24 14.705 -7.527 -7.034 172 H ALA 25 HN ALA 25 12.499 -7.764 -2.274 173 HA ALA 25 HA ALA 25 10.551 -9.659 -2.611 174 HB1 ALA 25 HB1 ALA 25 10.955 -9.827 -0.439 175 HB2 ALA 25 HB2 ALA 25 9.873 -8.458 -0.188 176 HB3 ALA 25 HB3 ALA 25 11.607 -8.190 -0.377 177 H GLU 26 HN GLU 26 8.986 -9.188 -4.018 178 HA GLU 26 HA GLU 26 7.162 -6.973 -3.356 179 HB2 GLU 26 HB2 GLU 26 6.596 -6.980 -5.796 180 HB3 GLU 26 HB1 GLU 26 8.237 -6.469 -5.401 181 HG2 GLU 26 HG2 GLU 26 8.376 -7.868 -7.303 182 HG3 GLU 26 HG1 GLU 26 8.989 -8.796 -5.937 183 H LEU 27 HN LEU 27 4.898 -7.326 -4.312 184 HA LEU 27 HA LEU 27 4.116 -10.104 -3.894 185 HB2 LEU 27 HB2 LEU 27 2.033 -9.297 -2.888 186 HB3 LEU 27 HB1 LEU 27 3.441 -8.769 -1.987 187 HG LEU 27 HG LEU 27 3.209 -6.579 -3.366 188 HD11 LEU 27 HD11 LEU 27 1.591 -6.737 -4.914 189 HD12 LEU 27 HD12 LEU 27 0.518 -6.379 -3.563 190 HD13 LEU 27 HD13 LEU 27 0.768 -8.049 -4.071 191 HD21 LEU 27 HD21 LEU 27 1.227 -7.308 -1.212 192 HD22 LEU 27 HD22 LEU 27 1.682 -5.671 -1.686 193 HD23 LEU 27 HD23 LEU 27 2.878 -6.742 -0.956 194 H THR 28 HN THR 28 2.500 -10.947 -5.216 195 HA THR 28 HA THR 28 1.875 -9.289 -7.530 196 HB THR 28 HB THR 28 1.445 -11.525 -8.596 197 HG1 THR 28 HG1 THR 28 1.528 -12.666 -6.533 198 HG21 THR 28 HG21 THR 28 3.288 -10.548 -9.436 199 HG22 THR 28 HG22 THR 28 3.977 -12.013 -8.733 200 HG23 THR 28 HG23 THR 28 4.095 -10.478 -7.871 201 H TRP 29 HN TRP 29 -0.121 -9.349 -8.452 202 HA TRP 29 HA TRP 29 -2.272 -10.414 -6.735 203 HB2 TRP 29 HB2 TRP 29 -2.059 -7.945 -6.609 204 HB3 TRP 29 HB1 TRP 29 -2.347 -7.861 -8.346 205 HD1 TRP 29 HD1 TRP 29 -4.128 -8.682 -5.063 206 HE1 TRP 29 HE1 TRP 29 -6.659 -8.531 -5.449 207 HE3 TRP 29 HE3 TRP 29 -4.122 -8.005 -10.126 208 HZ2 TRP 29 HZ2 TRP 29 -8.429 -8.167 -7.612 209 HZ3 TRP 29 HZ3 TRP 29 -6.291 -7.771 -11.282 210 HH2 TRP 29 HH2 TRP 29 -8.395 -7.850 -10.049 211 H ARG 30 HN ARG 30 -3.148 -12.105 -7.795 212 HA ARG 30 HA ARG 30 -3.554 -11.845 -10.703 213 HB2 ARG 30 HB2 ARG 30 -3.799 -14.477 -9.314 214 HB3 ARG 30 HB1 ARG 30 -3.280 -14.122 -10.956 215 HG2 ARG 30 HG2 ARG 30 -1.304 -12.949 -9.501 216 HG3 ARG 30 HG1 ARG 30 -1.721 -14.332 -8.488 217 HD2 ARG 30 HD2 ARG 30 -1.466 -15.802 -10.462 218 HD3 ARG 30 HD1 ARG 30 -0.948 -14.403 -11.402 219 HE ARG 30 HE ARG 30 0.626 -14.735 -9.052 220 HH11 ARG 30 HH11 ARG 30 0.172 -15.939 -12.296 221 HH12 ARG 30 HH12 ARG 30 1.811 -16.471 -12.462 222 HH21 ARG 30 HH21 ARG 30 2.783 -15.434 -9.269 223 HH22 ARG 30 HH22 ARG 30 3.293 -16.185 -10.744 224 H SER 31 HN SER 31 -5.568 -11.608 -11.427 225 HA SER 31 HA SER 31 -7.783 -11.408 -9.732 226 HB2 SER 31 HB2 SER 31 -9.070 -11.679 -12.000 227 HB3 SER 31 HB1 SER 31 -8.065 -10.256 -11.724 228 HG SER 31 HG SER 31 -6.450 -11.192 -12.948 229 H THR 32 HN THR 32 -9.479 -12.754 -9.248 230 HA THR 32 HA THR 32 -8.919 -15.562 -9.292 231 HB THR 32 HB THR 32 -11.588 -15.181 -8.490 232 HG1 THR 32 HG1 THR 32 -9.927 -13.190 -7.356 233 HG21 THR 32 HG21 THR 32 -9.080 -15.965 -7.288 234 HG22 THR 32 HG22 THR 32 -10.719 -16.529 -6.964 235 HG23 THR 32 HG23 THR 32 -10.111 -15.079 -6.165 236 H ASP 33 HN ASP 33 -10.718 -13.393 -11.260 237 HA ASP 33 HA ASP 33 -11.309 -15.488 -13.124 238 HB2 ASP 33 HB2 ASP 33 -13.441 -14.220 -11.470 239 HB3 ASP 33 HB1 ASP 33 -13.798 -14.559 -13.161 240 H GLY 34 HN GLY 34 -9.684 -13.159 -13.165 241 HA2 GLY 34 HA2 GLY 34 -11.095 -11.563 -15.214 242 HA3 GLY 34 HA1 GLY 34 -9.942 -10.864 -14.089 243 H ASP 35 HN ASP 35 -8.648 -13.768 -14.760 244 HA ASP 35 HA ASP 35 -6.868 -14.454 -15.983 245 HB2 ASP 35 HB2 ASP 35 -8.823 -14.218 -17.691 246 HB3 ASP 35 HB1 ASP 35 -7.887 -12.857 -18.302 247 H LYS 36 HN LYS 36 -6.813 -11.769 -14.620 248 HA LYS 36 HA LYS 36 -4.553 -10.632 -16.128 249 HB2 LYS 36 HB2 LYS 36 -5.109 -8.465 -15.006 250 HB3 LYS 36 HB1 LYS 36 -6.307 -9.017 -16.167 251 HG2 LYS 36 HG2 LYS 36 -7.678 -9.865 -14.310 252 HG3 LYS 36 HG1 LYS 36 -6.485 -9.234 -13.171 253 HD2 LYS 36 HD2 LYS 36 -8.035 -7.594 -15.174 254 HD3 LYS 36 HD1 LYS 36 -8.392 -7.709 -13.451 255 HE2 LYS 36 HE2 LYS 36 -5.793 -7.017 -13.348 256 HE3 LYS 36 HE1 LYS 36 -6.261 -6.231 -14.855 257 HZ1 LYS 36 HZ1 LYS 36 -8.182 -5.283 -13.530 258 HZ2 LYS 36 HZ2 LYS 36 -6.648 -4.658 -13.191 259 HZ3 LYS 36 HZ3 LYS 36 -7.352 -5.783 -12.143 260 H VAL 37 HN VAL 37 -2.984 -9.460 -14.753 261 HA VAL 37 HA VAL 37 -2.817 -10.387 -12.004 262 HB VAL 37 HB VAL 37 -0.275 -10.702 -13.480 263 HG11 VAL 37 HG11 VAL 37 -0.338 -11.137 -11.130 264 HG12 VAL 37 HG12 VAL 37 -0.118 -12.674 -11.967 265 HG13 VAL 37 HG13 VAL 37 -1.700 -12.241 -11.320 266 HG21 VAL 37 HG21 VAL 37 -2.465 -12.762 -13.747 267 HG22 VAL 37 HG22 VAL 37 -0.800 -12.927 -14.304 268 HG23 VAL 37 HG23 VAL 37 -1.865 -11.736 -15.050 269 H HIS 38 HN HIS 38 -1.712 -9.013 -10.677 270 HA HIS 38 HA HIS 38 -0.321 -6.750 -11.933 271 HB2 HIS 38 HB2 HIS 38 -2.767 -6.416 -10.876 272 HB3 HIS 38 HB1 HIS 38 -1.809 -6.240 -9.409 273 HD1 HIS 38 HD1 HIS 38 -2.472 -3.726 -9.280 274 HD2 HIS 38 HD2 HIS 38 -0.320 -4.769 -12.678 275 HE1 HIS 38 HE1 HIS 38 -1.727 -1.551 -10.298 276 HE2 HIS 38 HE2 HIS 38 -0.499 -2.204 -12.399 277 H THR 39 HN THR 39 1.713 -7.006 -11.381 278 HA THR 39 HA THR 39 2.421 -8.086 -8.737 279 HB THR 39 HB THR 39 4.282 -7.449 -11.038 280 HG1 THR 39 HG1 THR 39 2.719 -8.909 -11.772 281 HG21 THR 39 HG21 THR 39 5.164 -9.711 -9.738 282 HG22 THR 39 HG22 THR 39 4.628 -8.652 -8.434 283 HG23 THR 39 HG23 THR 39 5.831 -8.085 -9.593 284 H VAL 40 HN VAL 40 2.524 -6.484 -7.231 285 HA VAL 40 HA VAL 40 3.550 -3.855 -7.994 286 HB VAL 40 HB VAL 40 2.483 -4.696 -5.298 287 HG11 VAL 40 HG11 VAL 40 3.948 -2.568 -5.715 288 HG12 VAL 40 HG12 VAL 40 2.501 -2.472 -4.709 289 HG13 VAL 40 HG13 VAL 40 2.450 -1.916 -6.382 290 HG21 VAL 40 HG21 VAL 40 0.940 -3.226 -7.422 291 HG22 VAL 40 HG22 VAL 40 0.339 -3.920 -5.916 292 HG23 VAL 40 HG23 VAL 40 0.860 -4.977 -7.228 293 H VAL 41 HN VAL 41 5.689 -3.562 -7.881 294 HA VAL 41 HA VAL 41 7.342 -5.289 -6.340 295 HB VAL 41 HB VAL 41 8.215 -2.705 -7.605 296 HG11 VAL 41 HG11 VAL 41 10.178 -3.243 -6.694 297 HG12 VAL 41 HG12 VAL 41 10.217 -4.661 -7.739 298 HG13 VAL 41 HG13 VAL 41 9.550 -4.785 -6.109 299 HG21 VAL 41 HG21 VAL 41 8.479 -5.379 -8.922 300 HG22 VAL 41 HG22 VAL 41 8.533 -3.769 -9.641 301 HG23 VAL 41 HG23 VAL 41 6.995 -4.443 -9.101 302 H LEU 42 HN LEU 42 7.104 -5.181 -4.215 303 HA LEU 42 HA LEU 42 6.513 -3.036 -2.595 304 HB2 LEU 42 HB2 LEU 42 7.981 -5.584 -2.255 305 HB3 LEU 42 HB1 LEU 42 8.148 -4.403 -0.975 306 HG LEU 42 HG LEU 42 5.683 -4.392 -0.701 307 HD11 LEU 42 HD11 LEU 42 5.484 -5.357 -3.171 308 HD12 LEU 42 HD12 LEU 42 4.244 -5.627 -1.949 309 HD13 LEU 42 HD13 LEU 42 5.435 -6.883 -2.288 310 HD21 LEU 42 HD21 LEU 42 5.765 -7.080 -0.160 311 HD22 LEU 42 HD22 LEU 42 6.351 -5.800 0.903 312 HD23 LEU 42 HD23 LEU 42 7.473 -6.637 -0.170 313 H SER 43 HN SER 43 9.468 -3.810 -4.217 314 HA SER 43 HA SER 43 11.259 -2.272 -2.675 315 HB2 SER 43 HB2 SER 43 11.335 -3.745 -5.170 316 HB3 SER 43 HB1 SER 43 12.221 -2.226 -5.305 317 HG SER 43 HG SER 43 13.451 -2.837 -3.516 318 H THR 44 HN THR 44 9.522 -1.604 -5.654 319 HA THR 44 HA THR 44 10.297 1.085 -5.891 320 HB THR 44 HB THR 44 8.548 1.241 -7.526 321 HG1 THR 44 HG1 THR 44 7.553 -1.194 -6.493 322 HG21 THR 44 HG21 THR 44 10.096 0.059 -8.668 323 HG22 THR 44 HG22 THR 44 8.791 -1.127 -8.669 324 HG23 THR 44 HG23 THR 44 10.105 -1.263 -7.501 325 H ILE 45 HN ILE 45 8.006 -0.594 -3.920 326 HA ILE 45 HA ILE 45 6.408 1.742 -3.315 327 HB ILE 45 HB ILE 45 6.512 -0.885 -1.829 328 HG12 ILE 45 HG12 ILE 45 4.592 -0.022 -4.001 329 HG13 ILE 45 HG11 ILE 45 5.936 -1.131 -4.247 330 HG21 ILE 45 HG21 ILE 45 5.516 1.048 -0.623 331 HG22 ILE 45 HG22 ILE 45 4.377 -0.265 -0.927 332 HG23 ILE 45 HG23 ILE 45 4.330 1.192 -1.921 333 HD11 ILE 45 HD11 ILE 45 4.473 -2.742 -3.806 334 HD12 ILE 45 HD12 ILE 45 3.303 -1.608 -3.128 335 HD13 ILE 45 HD13 ILE 45 4.605 -2.240 -2.121 336 H ASP 46 HN ASP 46 6.593 3.095 -1.605 337 HA ASP 46 HA ASP 46 8.874 2.647 0.207 338 HB2 ASP 46 HB2 ASP 46 8.802 4.659 -1.492 339 HB3 ASP 46 HB1 ASP 46 7.753 5.380 -0.275 340 H LYS 47 HN LYS 47 5.500 3.437 -0.049 341 HA LYS 47 HA LYS 47 5.333 3.592 2.890 342 HB2 LYS 47 HB2 LYS 47 4.362 5.383 0.950 343 HB3 LYS 47 HB1 LYS 47 2.951 4.536 1.568 344 HG2 LYS 47 HG2 LYS 47 3.214 6.465 2.896 345 HG3 LYS 47 HG1 LYS 47 3.760 5.106 3.881 346 HD2 LYS 47 HD2 LYS 47 5.364 6.809 4.194 347 HD3 LYS 47 HD1 LYS 47 6.105 5.654 3.085 348 HE2 LYS 47 HE2 LYS 47 4.570 7.818 1.814 349 HE3 LYS 47 HE1 LYS 47 6.019 8.331 2.676 350 HZ1 LYS 47 HZ1 LYS 47 6.927 7.853 0.671 351 HZ2 LYS 47 HZ2 LYS 47 5.767 6.687 0.276 352 HZ3 LYS 47 HZ3 LYS 47 7.022 6.303 1.343 353 H LEU 48 HN LEU 48 3.575 2.548 3.898 354 HA LEU 48 HA LEU 48 2.096 0.589 2.296 355 HB2 LEU 48 HB2 LEU 48 4.010 -0.616 3.174 356 HB3 LEU 48 HB1 LEU 48 3.684 -0.020 4.790 357 HG LEU 48 HG LEU 48 1.500 -1.270 4.716 358 HD11 LEU 48 HD11 LEU 48 1.965 -1.476 2.051 359 HD12 LEU 48 HD12 LEU 48 0.866 -2.514 2.959 360 HD13 LEU 48 HD13 LEU 48 2.510 -3.054 2.617 361 HD21 LEU 48 HD21 LEU 48 3.159 -2.260 6.011 362 HD22 LEU 48 HD22 LEU 48 4.168 -2.625 4.612 363 HD23 LEU 48 HD23 LEU 48 2.691 -3.544 4.897 364 H GLN 49 HN GLN 49 0.007 0.958 2.671 365 HA GLN 49 HA GLN 49 -0.760 1.903 5.351 366 HB2 GLN 49 HB2 GLN 49 -2.208 2.426 2.759 367 HB3 GLN 49 HB1 GLN 49 -2.577 3.120 4.332 368 HG2 GLN 49 HG2 GLN 49 -1.163 4.783 3.985 369 HG3 GLN 49 HG1 GLN 49 0.152 3.652 3.672 370 HE21 GLN 49 HE21 GLN 49 0.500 2.936 1.529 371 HE22 GLN 49 HE22 GLN 49 -0.021 3.887 0.185 372 H ALA 50 HN ALA 50 -2.484 1.098 6.371 373 HA ALA 50 HA ALA 50 -4.169 -0.928 5.152 374 HB1 ALA 50 HB1 ALA 50 -2.675 -1.533 7.698 375 HB2 ALA 50 HB2 ALA 50 -2.196 -2.133 6.112 376 HB3 ALA 50 HB3 ALA 50 -3.746 -2.606 6.800 377 H THR 51 HN THR 51 -6.170 -1.116 6.204 378 HA THR 51 HA THR 51 -6.875 1.168 7.774 379 HB THR 51 HB THR 51 -9.121 0.447 7.552 380 HG1 THR 51 HG1 THR 51 -8.046 -2.083 6.873 381 HG21 THR 51 HG21 THR 51 -7.522 -0.271 5.111 382 HG22 THR 51 HG22 THR 51 -8.344 1.243 5.464 383 HG23 THR 51 HG23 THR 51 -9.283 -0.215 5.140 384 HA PRO 52 HA PRO 52 -6.172 -0.971 11.654 385 HB2 PRO 52 HB2 PRO 52 -5.639 1.180 13.092 386 HB3 PRO 52 HB1 PRO 52 -4.528 0.683 11.807 387 HG2 PRO 52 HG2 PRO 52 -6.563 2.869 11.815 388 HG3 PRO 52 HG1 PRO 52 -4.940 2.851 11.108 389 HD2 PRO 52 HD2 PRO 52 -7.349 2.366 9.746 390 HD3 PRO 52 HD1 PRO 52 -5.721 2.011 9.144 391 H ALA 53 HN ALA 53 -7.091 -0.813 13.842 392 HA ALA 53 HA ALA 53 -9.788 -0.993 14.010 393 HB1 ALA 53 HB1 ALA 53 -8.009 0.043 16.207 394 HB2 ALA 53 HB2 ALA 53 -8.229 -1.654 15.782 395 HB3 ALA 53 HB3 ALA 53 -9.588 -0.717 16.404 396 H SER 54 HN SER 54 -8.176 1.943 13.408 397 HA SER 54 HA SER 54 -9.763 3.829 14.734 398 HB2 SER 54 HB2 SER 54 -8.512 4.008 12.002 399 HB3 SER 54 HB1 SER 54 -9.011 5.380 12.995 400 HG SER 54 HG SER 54 -7.461 4.567 14.580 401 H SER 55 HN SER 55 -10.217 1.955 11.889 402 HA SER 55 HA SER 55 -12.997 2.853 11.714 403 HB2 SER 55 HB2 SER 55 -10.948 2.746 9.518 404 HB3 SER 55 HB1 SER 55 -12.677 2.653 9.169 405 HG SER 55 HG SER 55 -11.507 4.735 10.691 406 H GLU 56 HN GLU 56 -14.350 1.295 10.478 407 HA GLU 56 HA GLU 56 -13.483 -1.434 11.063 408 HB2 GLU 56 HB2 GLU 56 -16.201 -0.393 10.239 409 HB3 GLU 56 HB1 GLU 56 -15.838 -2.041 10.736 410 HG2 GLU 56 HG2 GLU 56 -14.904 -0.619 12.855 411 HG3 GLU 56 HG1 GLU 56 -16.276 0.362 12.344 412 H LYS 57 HN LYS 57 -12.465 0.116 8.763 413 HA LYS 57 HA LYS 57 -13.626 -1.244 6.489 414 HB2 LYS 57 HB2 LYS 57 -11.275 0.557 6.183 415 HB3 LYS 57 HB1 LYS 57 -12.674 0.357 5.139 416 HG2 LYS 57 HG2 LYS 57 -12.396 2.000 7.620 417 HG3 LYS 57 HG1 LYS 57 -12.892 2.502 6.008 418 HD2 LYS 57 HD2 LYS 57 -14.928 0.977 6.371 419 HD3 LYS 57 HD1 LYS 57 -14.469 0.992 8.072 420 HE2 LYS 57 HE2 LYS 57 -14.378 3.658 7.326 421 HE3 LYS 57 HE1 LYS 57 -15.802 3.023 6.500 422 HZ1 LYS 57 HZ1 LYS 57 -16.415 3.824 8.660 423 HZ2 LYS 57 HZ2 LYS 57 -15.236 2.871 9.409 424 HZ3 LYS 57 HZ3 LYS 57 -16.557 2.137 8.650 425 H MET 58 HN MET 58 -11.812 -1.827 4.776 426 HA MET 58 HA MET 58 -9.482 -3.082 5.946 427 HB2 MET 58 HB2 MET 58 -10.126 -5.305 4.851 428 HB3 MET 58 HB1 MET 58 -10.928 -4.886 6.359 429 HG2 MET 58 HG2 MET 58 -12.243 -4.099 3.823 430 HG3 MET 58 HG1 MET 58 -12.253 -5.804 4.273 431 HE1 MET 58 HE1 MET 58 -14.619 -6.295 4.662 432 HE2 MET 58 HE2 MET 58 -15.064 -4.734 3.961 433 HE3 MET 58 HE3 MET 58 -15.780 -5.251 5.489 434 H MET 59 HN MET 59 -8.075 -2.090 4.603 435 HA MET 59 HA MET 59 -7.966 -2.932 1.878 436 HB2 MET 59 HB2 MET 59 -8.342 -0.861 0.772 437 HB3 MET 59 HB1 MET 59 -9.700 -1.099 1.859 438 HG2 MET 59 HG2 MET 59 -7.675 0.346 3.239 439 HG3 MET 59 HG1 MET 59 -7.951 1.105 1.677 440 HE1 MET 59 HE1 MET 59 -8.118 2.690 3.773 441 HE2 MET 59 HE2 MET 59 -9.492 2.758 4.873 442 HE3 MET 59 HE3 MET 59 -9.560 3.592 3.322 443 H LEU 60 HN LEU 60 -5.982 -2.542 0.908 444 HA LEU 60 HA LEU 60 -3.962 -1.262 2.627 445 HB2 LEU 60 HB2 LEU 60 -3.607 -3.630 0.786 446 HB3 LEU 60 HB1 LEU 60 -2.324 -2.855 1.694 447 HG LEU 60 HG LEU 60 -4.655 -4.402 2.828 448 HD11 LEU 60 HD11 LEU 60 -2.762 -5.802 3.741 449 HD12 LEU 60 HD12 LEU 60 -1.698 -4.928 2.639 450 HD13 LEU 60 HD13 LEU 60 -3.020 -5.904 1.998 451 HD21 LEU 60 HD21 LEU 60 -4.353 -2.767 4.431 452 HD22 LEU 60 HD22 LEU 60 -2.623 -2.631 4.119 453 HD23 LEU 60 HD23 LEU 60 -3.256 -4.033 4.982 454 H ARG 61 HN ARG 61 -2.835 0.364 1.741 455 HA ARG 61 HA ARG 61 -2.919 0.686 -1.195 456 HB2 ARG 61 HB2 ARG 61 -4.219 2.452 -0.245 457 HB3 ARG 61 HB1 ARG 61 -3.006 2.772 0.986 458 HG2 ARG 61 HG2 ARG 61 -1.843 4.128 -0.351 459 HG3 ARG 61 HG1 ARG 61 -1.982 3.041 -1.731 460 HD2 ARG 61 HD2 ARG 61 -4.161 3.890 -2.254 461 HD3 ARG 61 HD1 ARG 61 -4.202 4.832 -0.767 462 HE ARG 61 HE ARG 61 -2.894 5.533 -3.227 463 HH11 ARG 61 HH11 ARG 61 -2.961 6.037 0.226 464 HH12 ARG 61 HH12 ARG 61 -2.216 7.597 0.139 465 HH21 ARG 61 HH21 ARG 61 -1.917 7.588 -3.343 466 HH22 ARG 61 HH22 ARG 61 -1.623 8.478 -1.887 467 H LEU 62 HN LEU 62 -0.995 1.175 -2.229 468 HA LEU 62 HA LEU 62 1.400 1.375 -0.527 469 HB2 LEU 62 HB2 LEU 62 1.469 -0.078 -3.144 470 HB3 LEU 62 HB1 LEU 62 2.580 -0.186 -1.793 471 HG LEU 62 HG LEU 62 1.414 -2.230 -1.817 472 HD11 LEU 62 HD11 LEU 62 1.178 -0.483 0.347 473 HD12 LEU 62 HD12 LEU 62 1.038 -2.240 0.368 474 HD13 LEU 62 HD13 LEU 62 -0.405 -1.244 0.184 475 HD21 LEU 62 HD21 LEU 62 -1.308 -1.117 -1.625 476 HD22 LEU 62 HD22 LEU 62 -0.722 -2.555 -2.461 477 HD23 LEU 62 HD23 LEU 62 -0.519 -0.964 -3.195 478 H ILE 63 HN ILE 63 2.816 2.928 -1.053 479 HA ILE 63 HA ILE 63 2.201 4.582 -3.381 480 HB ILE 63 HB ILE 63 3.755 5.038 -0.867 481 HG12 ILE 63 HG12 ILE 63 2.216 7.266 -1.673 482 HG13 ILE 63 HG11 ILE 63 1.235 5.838 -1.987 483 HG21 ILE 63 HG21 ILE 63 5.306 5.838 -2.491 484 HG22 ILE 63 HG22 ILE 63 4.484 7.237 -1.799 485 HG23 ILE 63 HG23 ILE 63 4.025 6.647 -3.397 486 HD11 ILE 63 HD11 ILE 63 0.822 6.728 0.226 487 HD12 ILE 63 HD12 ILE 63 2.531 6.547 0.626 488 HD13 ILE 63 HD13 ILE 63 1.542 5.121 0.311 489 H GLY 64 HN GLY 64 3.136 3.820 -5.193 490 HA2 GLY 64 HA2 GLY 64 5.760 2.582 -5.101 491 HA3 GLY 64 HA1 GLY 64 4.721 2.722 -6.510 492 H LYS 65 HN LYS 65 7.628 3.355 -5.933 493 HA LYS 65 HA LYS 65 9.179 4.848 -6.653 494 HB2 LYS 65 HB2 LYS 65 6.781 5.532 -8.262 495 HB3 LYS 65 HB1 LYS 65 8.078 6.718 -8.229 496 HG2 LYS 65 HG2 LYS 65 8.365 5.291 -10.132 497 HG3 LYS 65 HG1 LYS 65 9.652 4.962 -8.969 498 HD2 LYS 65 HD2 LYS 65 8.043 3.103 -8.118 499 HD3 LYS 65 HD1 LYS 65 7.279 3.290 -9.698 500 HE2 LYS 65 HE2 LYS 65 9.785 3.108 -10.526 501 HE3 LYS 65 HE1 LYS 65 9.977 2.255 -8.995 502 HZ1 LYS 65 HZ1 LYS 65 8.045 0.850 -9.717 503 HZ2 LYS 65 HZ2 LYS 65 9.465 0.639 -10.611 504 HZ3 LYS 65 HZ3 LYS 65 8.191 1.549 -11.251 505 H VAL 66 HN VAL 66 10.127 6.666 -5.892 506 HA VAL 66 HA VAL 66 8.692 8.942 -4.953 507 HB VAL 66 HB VAL 66 9.646 8.643 -2.548 508 HG11 VAL 66 HG11 VAL 66 7.329 6.863 -2.818 509 HG12 VAL 66 HG12 VAL 66 7.165 8.422 -3.626 510 HG13 VAL 66 HG13 VAL 66 7.516 8.357 -1.899 511 HG21 VAL 66 HG21 VAL 66 10.795 6.478 -3.225 512 HG22 VAL 66 HG22 VAL 66 9.193 5.741 -3.189 513 HG23 VAL 66 HG23 VAL 66 9.871 6.449 -1.723 514 H ASP 67 HN ASP 67 10.012 10.671 -4.978 515 HA ASP 67 HA ASP 67 12.914 10.201 -4.841 516 HB2 ASP 67 HB2 ASP 67 11.327 11.596 -6.944 517 HB3 ASP 67 HB1 ASP 67 12.906 12.257 -6.529 518 H GLU 68 HN GLU 68 10.326 12.611 -4.621 519 HA GLU 68 HA GLU 68 10.206 14.638 -3.573 520 HB2 GLU 68 HB2 GLU 68 10.824 14.487 -1.121 521 HB3 GLU 68 HB1 GLU 68 9.661 13.310 -1.705 522 HG2 GLU 68 HG2 GLU 68 11.086 12.110 -0.311 523 HG3 GLU 68 HG1 GLU 68 11.620 11.714 -1.940 524 H SER 69 HN SER 69 12.606 14.254 -5.135 525 HA SER 69 HA SER 69 14.357 16.131 -3.749 526 HB2 SER 69 HB2 SER 69 15.036 13.621 -5.183 527 HB3 SER 69 HB1 SER 69 16.141 14.984 -5.367 528 HG SER 69 HG SER 69 16.369 15.041 -3.121 529 H LYS 70 HN LYS 70 13.270 14.919 -6.843 530 HA LYS 70 HA LYS 70 14.211 17.267 -8.232 531 HB2 LYS 70 HB2 LYS 70 13.419 16.153 -10.253 532 HB3 LYS 70 HB1 LYS 70 14.424 15.068 -9.300 533 HG2 LYS 70 HG2 LYS 70 11.723 14.736 -8.480 534 HG3 LYS 70 HG1 LYS 70 11.789 14.662 -10.243 535 HD2 LYS 70 HD2 LYS 70 13.800 13.144 -8.643 536 HD3 LYS 70 HD1 LYS 70 12.162 12.504 -8.795 537 HE2 LYS 70 HE2 LYS 70 13.863 13.318 -11.144 538 HE3 LYS 70 HE1 LYS 70 13.803 11.675 -10.508 539 HZ1 LYS 70 HZ1 LYS 70 11.243 12.919 -11.105 540 HZ2 LYS 70 HZ2 LYS 70 11.758 11.327 -11.353 541 HZ3 LYS 70 HZ3 LYS 70 12.213 12.541 -12.439 542 H LYS 71 HN LYS 71 11.749 16.883 -6.256 543 HA LYS 71 HA LYS 71 9.366 17.426 -7.470 544 HB2 LYS 71 HB2 LYS 71 8.679 18.521 -5.422 545 HB3 LYS 71 HB1 LYS 71 9.654 17.108 -5.046 546 HG2 LYS 71 HG2 LYS 71 11.410 19.312 -5.231 547 HG3 LYS 71 HG1 LYS 71 10.030 19.817 -4.254 548 HD2 LYS 71 HD2 LYS 71 10.344 17.670 -2.946 549 HD3 LYS 71 HD1 LYS 71 11.881 17.488 -3.792 550 HE2 LYS 71 HE2 LYS 71 12.724 18.665 -2.079 551 HE3 LYS 71 HE1 LYS 71 12.045 20.059 -2.917 552 HZ1 LYS 71 HZ1 LYS 71 11.248 20.254 -0.763 553 HZ2 LYS 71 HZ2 LYS 71 10.958 18.596 -0.596 554 HZ3 LYS 71 HZ3 LYS 71 9.949 19.536 -1.576 555 H ARG 72 HN ARG 72 8.187 19.635 -7.200 556 HA ARG 72 HA ARG 72 9.828 21.674 -8.545 557 HB2 ARG 72 HB2 ARG 72 7.460 22.543 -9.217 558 HB3 ARG 72 HB1 ARG 72 8.158 21.177 -10.075 559 HG2 ARG 72 HG2 ARG 72 5.795 20.831 -9.547 560 HG3 ARG 72 HG1 ARG 72 6.829 19.633 -8.767 561 HD2 ARG 72 HD2 ARG 72 6.519 20.545 -6.662 562 HD3 ARG 72 HD1 ARG 72 6.066 22.124 -7.303 563 HE ARG 72 HE ARG 72 3.898 21.424 -7.327 564 HH11 ARG 72 HH11 ARG 72 5.954 18.604 -7.289 565 HH12 ARG 72 HH12 ARG 72 4.636 17.491 -7.138 566 HH21 ARG 72 HH21 ARG 72 2.164 19.962 -7.128 567 HH22 ARG 72 HH22 ARG 72 2.484 18.262 -7.048 568 H LYS 73 HN LYS 73 9.576 23.866 -7.933 569 HA LYS 73 HA LYS 73 8.585 24.175 -5.185 570 HB2 LYS 73 HB2 LYS 73 10.718 25.564 -6.773 571 HB3 LYS 73 HB1 LYS 73 9.985 26.371 -5.393 572 HG2 LYS 73 HG2 LYS 73 11.882 25.364 -4.511 573 HG3 LYS 73 HG1 LYS 73 10.580 24.254 -4.081 574 HD2 LYS 73 HD2 LYS 73 11.929 22.685 -4.960 575 HD3 LYS 73 HD1 LYS 73 11.326 23.282 -6.507 576 HE2 LYS 73 HE2 LYS 73 13.301 25.007 -6.215 577 HE3 LYS 73 HE1 LYS 73 13.953 23.735 -5.182 578 HZ1 LYS 73 HZ1 LYS 73 14.647 23.635 -7.563 579 HZ2 LYS 73 HZ2 LYS 73 13.048 23.260 -7.965 580 HZ3 LYS 73 HZ3 LYS 73 13.938 22.215 -6.977 581 H ASP 74 HN ASP 74 7.578 26.249 -4.625 582 HA ASP 74 HA ASP 74 5.921 27.233 -6.817 583 HB2 ASP 74 HB2 ASP 74 5.387 26.732 -3.933 584 HB3 ASP 74 HB1 ASP 74 4.530 28.062 -4.706 585 H ASN 75 HN ASN 75 5.041 29.542 -6.286 586 HA ASN 75 HA ASN 75 7.220 31.308 -6.384 587 HB2 ASN 75 HB2 ASN 75 4.628 31.511 -7.081 588 HB3 ASN 75 HB1 ASN 75 4.594 32.404 -5.564 589 HD21 ASN 75 HD21 ASN 75 5.238 34.451 -5.565 590 HD22 ASN 75 HD22 ASN 75 6.028 35.251 -6.877 591 H GLU 76 HN GLU 76 5.317 30.123 -3.752 592 HA GLU 76 HA GLU 76 6.333 32.087 -1.898 593 HB2 GLU 76 HB2 GLU 76 4.283 29.941 -1.807 594 HB3 GLU 76 HB1 GLU 76 5.043 30.396 -0.288 595 HG2 GLU 76 HG2 GLU 76 4.329 32.677 -0.560 596 HG3 GLU 76 HG1 GLU 76 3.684 32.320 -2.161 597 H GLY 77 HN GLY 77 7.841 29.677 -3.296 598 HA2 GLY 77 HA2 GLY 77 9.799 28.595 -2.723 599 HA3 GLY 77 HA1 GLY 77 9.663 29.287 -1.113 600 H ASN 78 HN ASN 78 7.031 27.474 -2.483 601 HA ASN 78 HA ASN 78 7.245 25.538 -0.343 602 HB2 ASN 78 HB2 ASN 78 5.100 26.674 -1.491 603 HB3 ASN 78 HB1 ASN 78 5.198 25.213 -2.470 604 HD21 ASN 78 HD21 ASN 78 3.993 23.630 -1.751 605 HD22 ASN 78 HD22 ASN 78 3.605 23.305 -0.099 606 H GLU 79 HN GLU 79 6.464 23.194 -1.198 607 HA GLU 79 HA GLU 79 7.338 22.188 -3.626 608 HB2 GLU 79 HB2 GLU 79 9.487 21.057 -2.793 609 HB3 GLU 79 HB1 GLU 79 9.578 22.759 -3.222 610 HG2 GLU 79 HG2 GLU 79 9.179 23.204 -0.729 611 HG3 GLU 79 HG1 GLU 79 9.592 21.505 -0.505 612 H VAL 80 HN VAL 80 7.446 19.821 -3.661 613 HA VAL 80 HA VAL 80 6.952 18.275 -1.333 614 HB VAL 80 HB VAL 80 4.747 19.298 -1.428 615 HG11 VAL 80 HG11 VAL 80 4.321 19.973 -3.584 616 HG12 VAL 80 HG12 VAL 80 3.323 18.521 -3.488 617 HG13 VAL 80 HG13 VAL 80 4.896 18.459 -4.284 618 HG21 VAL 80 HG21 VAL 80 4.974 16.946 -0.715 619 HG22 VAL 80 HG22 VAL 80 4.640 16.435 -2.370 620 HG23 VAL 80 HG23 VAL 80 3.403 17.286 -1.443 621 H VAL 81 HN VAL 81 6.741 16.032 -1.770 622 HA VAL 81 HA VAL 81 8.254 15.115 -3.931 623 HB VAL 81 HB VAL 81 7.881 13.876 -1.795 624 HG11 VAL 81 HG11 VAL 81 5.907 13.001 -1.175 625 HG12 VAL 81 HG12 VAL 81 5.473 12.549 -2.823 626 HG13 VAL 81 HG13 VAL 81 5.237 14.208 -2.273 627 HG21 VAL 81 HG21 VAL 81 8.397 12.928 -4.323 628 HG22 VAL 81 HG22 VAL 81 7.125 11.850 -3.747 629 HG23 VAL 81 HG23 VAL 81 8.614 12.029 -2.820 630 HA PRO 82 HA PRO 82 5.299 15.387 -7.287 631 HB2 PRO 82 HB2 PRO 82 7.038 13.239 -8.402 632 HB3 PRO 82 HB1 PRO 82 6.509 14.755 -9.142 633 HG2 PRO 82 HG2 PRO 82 8.996 14.499 -8.258 634 HG3 PRO 82 HG1 PRO 82 8.104 16.012 -8.005 635 HD2 PRO 82 HD2 PRO 82 8.678 13.802 -6.072 636 HD3 PRO 82 HD1 PRO 82 8.688 15.559 -5.809 637 H LYS 83 HN LYS 83 3.368 14.469 -6.988 638 HA LYS 83 HA LYS 83 2.649 12.196 -5.731 639 HB2 LYS 83 HB2 LYS 83 0.619 12.143 -7.211 640 HB3 LYS 83 HB1 LYS 83 0.962 13.703 -6.476 641 HG2 LYS 83 HG2 LYS 83 2.165 13.310 -9.120 642 HG3 LYS 83 HG1 LYS 83 0.401 13.311 -9.099 643 HD2 LYS 83 HD2 LYS 83 0.474 15.535 -9.062 644 HD3 LYS 83 HD1 LYS 83 1.163 15.432 -7.441 645 HE2 LYS 83 HE2 LYS 83 2.854 16.591 -8.384 646 HE3 LYS 83 HE1 LYS 83 3.370 14.991 -8.916 647 HZ1 LYS 83 HZ1 LYS 83 1.524 16.540 -10.599 648 HZ2 LYS 83 HZ2 LYS 83 2.661 15.371 -11.049 649 HZ3 LYS 83 HZ3 LYS 83 3.173 16.923 -10.613 650 HA PRO 84 HA PRO 84 4.738 9.220 -8.497 651 HB2 PRO 84 HB2 PRO 84 4.358 7.431 -6.194 652 HB3 PRO 84 HB1 PRO 84 5.848 7.889 -7.023 653 HG2 PRO 84 HG2 PRO 84 5.282 8.778 -4.555 654 HG3 PRO 84 HG1 PRO 84 6.138 9.785 -5.738 655 HD2 PRO 84 HD2 PRO 84 3.249 9.848 -4.935 656 HD3 PRO 84 HD1 PRO 84 4.370 11.200 -5.207 657 H GLN 85 HN GLN 85 4.113 6.571 -8.332 658 HA GLN 85 HA GLN 85 1.347 6.564 -9.262 659 HB2 GLN 85 HB2 GLN 85 3.151 5.581 -10.670 660 HB3 GLN 85 HB1 GLN 85 3.424 4.373 -9.422 661 HG2 GLN 85 HG2 GLN 85 2.068 3.200 -10.816 662 HG3 GLN 85 HG1 GLN 85 0.857 3.924 -9.759 663 HE21 GLN 85 HE21 GLN 85 1.776 3.426 -12.913 664 HE22 GLN 85 HE22 GLN 85 0.777 4.610 -13.678 665 H ARG 86 HN ARG 86 0.439 6.750 -7.122 666 HA ARG 86 HA ARG 86 0.825 4.544 -5.282 667 HB2 ARG 86 HB2 ARG 86 -1.223 6.734 -5.009 668 HB3 ARG 86 HB1 ARG 86 -0.475 5.777 -3.739 669 HG2 ARG 86 HG2 ARG 86 1.192 7.223 -3.514 670 HG3 ARG 86 HG1 ARG 86 1.504 7.243 -5.250 671 HD2 ARG 86 HD2 ARG 86 -0.465 8.911 -3.701 672 HD3 ARG 86 HD1 ARG 86 0.939 9.462 -4.614 673 HE ARG 86 HE ARG 86 -0.783 8.125 -6.366 674 HH11 ARG 86 HH11 ARG 86 -0.694 11.045 -4.457 675 HH12 ARG 86 HH12 ARG 86 -1.736 11.924 -5.525 676 HH21 ARG 86 HH21 ARG 86 -2.154 9.279 -7.771 677 HH22 ARG 86 HH22 ARG 86 -2.566 10.921 -7.406 678 H HIS 87 HN HIS 87 -0.931 3.239 -4.485 679 HA HIS 87 HA HIS 87 -3.327 3.107 -6.138 680 HB2 HIS 87 HB2 HIS 87 -2.161 0.446 -5.680 681 HB3 HIS 87 HB1 HIS 87 -2.951 1.099 -7.109 682 HD1 HIS 87 HD1 HIS 87 -1.458 1.386 -9.054 683 HD2 HIS 87 HD2 HIS 87 0.640 1.506 -5.470 684 HE1 HIS 87 HE1 HIS 87 0.965 1.573 -9.700 685 HE2 HIS 87 HE2 HIS 87 2.221 1.564 -7.516 686 H MET 88 HN MET 88 -5.085 2.618 -4.979 687 HA MET 88 HA MET 88 -4.691 1.793 -2.181 688 HB2 MET 88 HB2 MET 88 -6.150 3.861 -3.181 689 HB3 MET 88 HB1 MET 88 -7.384 2.616 -3.061 690 HG2 MET 88 HG2 MET 88 -6.183 2.374 -0.653 691 HG3 MET 88 HG1 MET 88 -5.971 4.093 -0.966 692 HE1 MET 88 HE1 MET 88 -7.261 2.877 1.396 693 HE2 MET 88 HE2 MET 88 -9.013 2.989 1.513 694 HE3 MET 88 HE3 MET 88 -8.045 4.452 1.517 695 H PHE 89 HN PHE 89 -4.796 -0.344 -1.972 696 HA PHE 89 HA PHE 89 -6.615 -1.900 -3.644 697 HB2 PHE 89 HB2 PHE 89 -4.061 -2.363 -2.547 698 HB3 PHE 89 HB1 PHE 89 -5.148 -3.456 -1.701 699 HD1 PHE 89 HD2 PHE 89 -6.981 -4.485 -3.493 700 HD2 PHE 89 HD1 PHE 89 -2.966 -3.326 -4.294 701 HE1 PHE 89 HE2 PHE 89 -6.924 -6.017 -5.417 702 HE2 PHE 89 HE1 PHE 89 -2.906 -4.854 -6.221 703 HZ PHE 89 HZ PHE 89 -4.890 -6.198 -6.778 704 H SER 90 HN SER 90 -8.513 -2.717 -2.897 705 HA SER 90 HA SER 90 -8.970 -2.629 0.011 706 HB2 SER 90 HB2 SER 90 -10.056 -0.789 -1.585 707 HB3 SER 90 HB1 SER 90 -11.254 -2.064 -1.804 708 HG SER 90 HG SER 90 -12.029 -1.439 0.036 709 H PHE 91 HN PHE 91 -9.961 -4.339 0.886 710 HA PHE 91 HA PHE 91 -11.256 -6.264 -0.903 711 HB2 PHE 91 HB2 PHE 91 -10.056 -7.753 1.199 712 HB3 PHE 91 HB1 PHE 91 -9.735 -7.840 -0.530 713 HD1 PHE 91 HD2 PHE 91 -8.234 -5.634 -1.290 714 HD2 PHE 91 HD1 PHE 91 -8.170 -7.617 2.473 715 HE1 PHE 91 HE2 PHE 91 -5.948 -4.830 -0.909 716 HE2 PHE 91 HE1 PHE 91 -5.874 -6.818 2.849 717 HZ PHE 91 HZ PHE 91 -4.762 -5.423 1.159 718 H ASN 92 HN ASN 92 -12.524 -7.932 0.453 719 HA ASN 92 HA ASN 92 -14.133 -6.379 2.316 720 HB2 ASN 92 HB2 ASN 92 -15.784 -8.174 2.074 721 HB3 ASN 92 HB1 ASN 92 -15.270 -7.563 0.504 722 HD21 ASN 92 HD21 ASN 92 -14.407 -8.930 -0.932 723 HD22 ASN 92 HD22 ASN 92 -14.085 -10.601 -0.633 724 H ASN 93 HN ASN 93 -11.446 -7.687 3.031 725 HA ASN 93 HA ASN 93 -12.473 -9.025 5.430 726 HB2 ASN 93 HB2 ASN 93 -10.503 -10.027 3.460 727 HB3 ASN 93 HB1 ASN 93 -10.135 -10.311 5.159 728 HD21 ASN 93 HD21 ASN 93 -10.621 -12.337 5.590 729 HD22 ASN 93 HD22 ASN 93 -12.089 -13.142 5.162 730 H ARG 94 HN ARG 94 -11.892 -8.052 7.209 731 HA ARG 94 HA ARG 94 -9.725 -6.123 7.200 732 HB2 ARG 94 HB2 ARG 94 -11.864 -5.589 8.315 733 HB3 ARG 94 HB1 ARG 94 -11.615 -6.934 9.420 734 HG2 ARG 94 HG2 ARG 94 -9.363 -5.677 9.926 735 HG3 ARG 94 HG1 ARG 94 -10.265 -4.289 9.314 736 HD2 ARG 94 HD2 ARG 94 -11.989 -4.621 10.961 737 HD3 ARG 94 HD1 ARG 94 -11.233 -6.118 11.506 738 HE ARG 94 HE ARG 94 -10.496 -3.440 12.230 739 HH11 ARG 94 HH11 ARG 94 -9.349 -6.719 11.897 740 HH12 ARG 94 HH12 ARG 94 -8.064 -6.519 13.041 741 HH21 ARG 94 HH21 ARG 94 -8.807 -3.174 13.735 742 HH22 ARG 94 HH22 ARG 94 -7.757 -4.507 14.085 743 H THR 95 HN THR 95 -10.355 -9.360 8.220 744 HA THR 95 HA THR 95 -8.100 -9.491 10.021 745 HB THR 95 HB THR 95 -10.440 -11.005 9.595 746 HG1 THR 95 HG1 THR 95 -9.751 -12.008 11.498 747 HG21 THR 95 HG21 THR 95 -9.668 -13.293 9.537 748 HG22 THR 95 HG22 THR 95 -8.007 -12.750 9.297 749 HG23 THR 95 HG23 THR 95 -9.219 -12.458 8.050 750 H VAL 96 HN VAL 96 -8.889 -10.312 6.716 751 HA VAL 96 HA VAL 96 -6.566 -11.856 6.184 752 HB VAL 96 HB VAL 96 -8.821 -11.627 4.828 753 HG11 VAL 96 HG11 VAL 96 -8.570 -9.268 4.272 754 HG12 VAL 96 HG12 VAL 96 -8.606 -10.269 2.821 755 HG13 VAL 96 HG13 VAL 96 -7.074 -9.624 3.409 756 HG21 VAL 96 HG21 VAL 96 -7.141 -13.269 4.335 757 HG22 VAL 96 HG22 VAL 96 -6.115 -12.052 3.575 758 HG23 VAL 96 HG23 VAL 96 -7.648 -12.505 2.829 759 H MET 97 HN MET 97 -7.426 -8.463 5.626 760 HA MET 97 HA MET 97 -5.094 -7.669 4.313 761 HB2 MET 97 HB2 MET 97 -5.660 -5.376 5.227 762 HB3 MET 97 HB1 MET 97 -6.914 -6.167 4.292 763 HG2 MET 97 HG2 MET 97 -8.247 -5.589 5.977 764 HG3 MET 97 HG1 MET 97 -7.543 -6.978 6.797 765 HE1 MET 97 HE1 MET 97 -5.143 -3.826 6.245 766 HE2 MET 97 HE2 MET 97 -5.928 -2.700 7.350 767 HE3 MET 97 HE3 MET 97 -6.795 -3.294 5.933 768 H ASP 98 HN ASP 98 -5.848 -7.364 7.771 769 HA ASP 98 HA ASP 98 -3.463 -6.241 8.607 770 HB2 ASP 98 HB2 ASP 98 -5.716 -6.804 9.869 771 HB3 ASP 98 HB1 ASP 98 -4.809 -8.223 10.384 772 H ASN 99 HN ASN 99 -4.046 -9.496 7.609 773 HA ASN 99 HA ASN 99 -1.734 -10.554 8.988 774 HB2 ASN 99 HB2 ASN 99 -3.824 -11.698 7.176 775 HB3 ASN 99 HB1 ASN 99 -2.335 -12.594 7.461 776 HD21 ASN 99 HD21 ASN 99 -5.023 -13.315 8.198 777 HD22 ASN 99 HD22 ASN 99 -5.040 -13.482 9.917 778 H ILE 100 HN ILE 100 -2.503 -9.426 5.748 779 HA ILE 100 HA ILE 100 -0.002 -10.450 4.704 780 HB ILE 100 HB ILE 100 -1.996 -10.481 3.281 781 HG12 ILE 100 HG12 ILE 100 0.293 -8.737 2.364 782 HG13 ILE 100 HG11 ILE 100 0.135 -10.480 2.171 783 HG21 ILE 100 HG21 ILE 100 -1.782 -7.481 3.351 784 HG22 ILE 100 HG22 ILE 100 -3.059 -8.446 4.091 785 HG23 ILE 100 HG23 ILE 100 -2.878 -8.417 2.336 786 HD11 ILE 100 HD11 ILE 100 -1.640 -10.195 0.588 787 HD12 ILE 100 HD12 ILE 100 -0.270 -9.196 0.102 788 HD13 ILE 100 HD13 ILE 100 -1.672 -8.453 0.876 789 H LYS 101 HN LYS 101 -1.388 -7.233 5.427 790 HA LYS 101 HA LYS 101 0.841 -5.788 4.462 791 HB2 LYS 101 HB2 LYS 101 -1.485 -4.884 4.939 792 HB3 LYS 101 HB1 LYS 101 -1.036 -4.875 6.638 793 HG2 LYS 101 HG2 LYS 101 0.741 -3.509 4.685 794 HG3 LYS 101 HG1 LYS 101 -0.771 -2.732 5.149 795 HD2 LYS 101 HD2 LYS 101 1.232 -3.756 7.146 796 HD3 LYS 101 HD1 LYS 101 1.259 -2.108 6.520 797 HE2 LYS 101 HE2 LYS 101 -0.711 -1.531 7.586 798 HE3 LYS 101 HE1 LYS 101 -1.260 -3.209 7.680 799 HZ1 LYS 101 HZ1 LYS 101 1.167 -2.668 9.146 800 HZ2 LYS 101 HZ2 LYS 101 -0.216 -3.519 9.618 801 HZ3 LYS 101 HZ3 LYS 101 -0.186 -1.831 9.723 802 H MET 102 HN MET 102 0.027 -7.192 7.570 803 HA MET 102 HA MET 102 1.834 -6.014 9.264 804 HB2 MET 102 HB2 MET 102 0.225 -7.692 10.011 805 HB3 MET 102 HB1 MET 102 1.094 -8.944 9.135 806 HG2 MET 102 HG2 MET 102 2.750 -9.078 10.681 807 HG3 MET 102 HG1 MET 102 2.608 -7.383 11.143 808 HE1 MET 102 HE1 MET 102 0.893 -11.097 12.728 809 HE2 MET 102 HE2 MET 102 2.269 -10.404 13.586 810 HE3 MET 102 HE3 MET 102 2.368 -10.695 11.849 811 H THR 103 HN THR 103 2.420 -8.598 6.937 812 HA THR 103 HA THR 103 5.147 -9.014 7.630 813 HB THR 103 HB THR 103 3.642 -9.632 5.080 814 HG1 THR 103 HG1 THR 103 2.778 -10.790 6.741 815 HG21 THR 103 HG21 THR 103 5.375 -10.806 4.260 816 HG22 THR 103 HG22 THR 103 5.966 -11.263 5.858 817 HG23 THR 103 HG23 THR 103 6.318 -9.660 5.213 818 H LEU 104 HN LEU 104 3.491 -6.983 5.273 819 HA LEU 104 HA LEU 104 5.851 -6.081 3.962 820 HB2 LEU 104 HB2 LEU 104 2.982 -5.270 3.991 821 HB3 LEU 104 HB1 LEU 104 4.159 -4.155 3.324 822 HG LEU 104 HG LEU 104 4.746 -6.614 2.126 823 HD11 LEU 104 HD11 LEU 104 2.567 -7.434 2.933 824 HD12 LEU 104 HD12 LEU 104 2.655 -7.351 1.174 825 HD13 LEU 104 HD13 LEU 104 1.774 -6.115 2.072 826 HD21 LEU 104 HD21 LEU 104 4.883 -4.356 1.135 827 HD22 LEU 104 HD22 LEU 104 3.123 -4.325 1.021 828 HD23 LEU 104 HD23 LEU 104 4.046 -5.510 0.096 829 H GLN 105 HN GLN 105 3.937 -4.918 6.673 830 HA GLN 105 HA GLN 105 4.879 -2.345 6.959 831 HB2 GLN 105 HB2 GLN 105 3.104 -3.298 8.354 832 HB3 GLN 105 HB1 GLN 105 4.278 -4.331 9.157 833 HG2 GLN 105 HG2 GLN 105 5.121 -2.640 10.415 834 HG3 GLN 105 HG1 GLN 105 4.777 -1.413 9.197 835 HE21 GLN 105 HE21 GLN 105 2.771 -0.441 9.146 836 HE22 GLN 105 HE22 GLN 105 1.627 -0.593 10.431 837 H GLN 106 HN GLN 106 6.289 -5.293 8.375 838 HA GLN 106 HA GLN 106 8.496 -4.028 9.563 839 HB2 GLN 106 HB2 GLN 106 8.405 -6.866 8.534 840 HB3 GLN 106 HB1 GLN 106 9.442 -6.231 9.804 841 HG2 GLN 106 HG2 GLN 106 7.400 -5.766 11.146 842 HG3 GLN 106 HG1 GLN 106 6.457 -6.588 9.903 843 HE21 GLN 106 HE21 GLN 106 7.573 -8.794 9.297 844 HE22 GLN 106 HE22 GLN 106 7.924 -9.801 10.656 845 H ILE 107 HN ILE 107 7.985 -5.316 6.328 846 HA ILE 107 HA ILE 107 10.639 -5.257 5.463 847 HB ILE 107 HB ILE 107 8.019 -5.615 4.262 848 HG12 ILE 107 HG12 ILE 107 10.720 -6.553 3.328 849 HG13 ILE 107 HG11 ILE 107 9.876 -7.268 4.701 850 HG21 ILE 107 HG21 ILE 107 8.867 -5.123 1.920 851 HG22 ILE 107 HG22 ILE 107 10.091 -4.113 2.689 852 HG23 ILE 107 HG23 ILE 107 8.379 -3.741 2.899 853 HD11 ILE 107 HD11 ILE 107 8.576 -7.075 2.010 854 HD12 ILE 107 HD12 ILE 107 8.180 -8.137 3.362 855 HD13 ILE 107 HD13 ILE 107 9.651 -8.409 2.426 856 H ILE 108 HN ILE 108 8.073 -2.855 4.710 857 HA ILE 108 HA ILE 108 9.745 -0.994 3.520 858 HB ILE 108 HB ILE 108 7.462 -0.113 5.262 859 HG12 ILE 108 HG12 ILE 108 6.543 -1.954 4.026 860 HG13 ILE 108 HG11 ILE 108 6.001 -0.469 3.251 861 HG21 ILE 108 HG21 ILE 108 7.685 1.836 4.214 862 HG22 ILE 108 HG22 ILE 108 7.733 1.063 2.629 863 HG23 ILE 108 HG23 ILE 108 9.211 1.218 3.581 864 HD11 ILE 108 HD11 ILE 108 7.318 -0.800 1.393 865 HD12 ILE 108 HD12 ILE 108 6.830 -2.444 1.804 866 HD13 ILE 108 HD13 ILE 108 8.437 -1.866 2.243 867 H SER 109 HN SER 109 9.227 -1.703 6.860 868 HA SER 109 HA SER 109 10.485 0.641 7.894 869 HB2 SER 109 HB2 SER 109 8.842 -1.130 9.006 870 HB3 SER 109 HB1 SER 109 10.365 -1.882 9.485 871 HG SER 109 HG SER 109 9.373 -0.216 10.929 872 H ARG 110 HN ARG 110 11.587 -2.412 6.695 873 HA ARG 110 HA ARG 110 14.253 -1.978 7.824 874 HB2 ARG 110 HB2 ARG 110 14.657 -4.221 7.616 875 HB3 ARG 110 HB1 ARG 110 12.909 -4.264 7.775 876 HG2 ARG 110 HG2 ARG 110 12.872 -4.225 5.209 877 HG3 ARG 110 HG1 ARG 110 14.582 -4.642 5.320 878 HD2 ARG 110 HD2 ARG 110 13.153 -6.338 7.090 879 HD3 ARG 110 HD1 ARG 110 12.312 -6.343 5.540 880 HE ARG 110 HE ARG 110 14.082 -7.468 4.616 881 HH11 ARG 110 HH11 ARG 110 15.043 -6.183 7.716 882 HH12 ARG 110 HH12 ARG 110 16.548 -7.038 7.743 883 HH21 ARG 110 HH21 ARG 110 16.062 -8.593 4.651 884 HH22 ARG 110 HH22 ARG 110 17.128 -8.405 6.003 885 H TYR 111 HN TYR 111 12.558 -2.352 4.733 886 HA TYR 111 HA TYR 111 14.885 -2.059 3.125 887 HB2 TYR 111 HB2 TYR 111 11.933 -1.942 2.625 888 HB3 TYR 111 HB1 TYR 111 13.042 -1.398 1.372 889 HD1 TYR 111 HD2 TYR 111 14.318 -4.049 3.448 890 HD2 TYR 111 HD1 TYR 111 11.959 -3.227 0.003 891 HE1 TYR 111 HE2 TYR 111 14.609 -6.373 2.700 892 HE2 TYR 111 HE1 TYR 111 12.244 -5.549 -0.752 893 HH TYR 111 HH TYR 111 13.207 -7.997 1.147 894 H LYS 112 HN LYS 112 13.004 0.151 4.908 895 HA LYS 112 HA LYS 112 13.378 2.473 3.311 896 HB2 LYS 112 HB2 LYS 112 12.373 1.836 6.008 897 HB3 LYS 112 HB1 LYS 112 13.064 3.442 5.838 898 HG2 LYS 112 HG2 LYS 112 10.926 2.341 4.034 899 HG3 LYS 112 HG1 LYS 112 10.604 3.311 5.473 900 HD2 LYS 112 HD2 LYS 112 12.165 4.152 3.030 901 HD3 LYS 112 HD1 LYS 112 10.573 4.735 3.519 902 HE2 LYS 112 HE2 LYS 112 11.651 5.568 5.636 903 HE3 LYS 112 HE1 LYS 112 13.210 5.184 4.906 904 HZ1 LYS 112 HZ1 LYS 112 12.212 7.559 4.694 905 HZ2 LYS 112 HZ2 LYS 112 11.318 6.879 3.430 906 HZ3 LYS 112 HZ3 LYS 112 13.009 6.859 3.376 907 H ASP 113 HN ASP 113 15.113 1.069 6.045 908 HA ASP 113 HA ASP 113 17.008 3.177 6.252 909 HB2 ASP 113 HB2 ASP 113 16.621 0.515 7.507 910 HB3 ASP 113 HB1 ASP 113 18.237 1.213 7.572 911 H ALA 114 HN ALA 114 16.661 0.963 3.858 912 HA ALA 114 HA ALA 114 19.551 0.980 3.300 913 HB1 ALA 114 HB1 ALA 114 17.988 -1.206 2.115 914 HB2 ALA 114 HB2 ALA 114 18.155 -1.256 3.871 915 HB3 ALA 114 HB3 ALA 114 19.592 -1.219 2.849 916 H ASP 115 HN ASP 115 16.291 0.917 1.921 917 HA ASP 115 HA ASP 115 16.988 1.207 -0.771 918 HB2 ASP 115 HB2 ASP 115 14.535 2.021 0.781 919 HB3 ASP 115 HB1 ASP 115 14.667 2.272 -0.957 920 H2 PRO 59 HT1 PRO 59 -27.542 2.771 -5.043 921 H3 PRO 59 HT2 PRO 59 -27.894 3.347 -3.542 922 HA PRO 59 HA PRO 59 -26.591 1.977 -2.763 923 HB2 PRO 59 HB2 PRO 59 -27.891 -0.508 -3.507 924 HB3 PRO 59 HB1 PRO 59 -27.799 0.274 -1.924 925 HG2 PRO 59 HG2 PRO 59 -30.098 0.119 -3.372 926 HG3 PRO 59 HG1 PRO 59 -29.749 1.432 -2.234 927 HD2 PRO 59 HD2 PRO 59 -29.487 1.397 -5.227 928 HD3 PRO 59 HD1 PRO 59 -30.152 2.662 -4.174 929 H GLY 60 HN GLY 60 -24.804 2.289 -4.115 930 HA2 GLY 60 HA2 GLY 60 -24.495 0.431 -6.370 931 HA3 GLY 60 HA1 GLY 60 -23.534 1.876 -6.093 932 H GLU 61 HN GLU 61 -21.542 0.905 -6.186 933 HA GLU 61 HA GLU 61 -20.846 -0.719 -3.857 934 HB2 GLU 61 HB2 GLU 61 -20.652 -1.562 -6.701 935 HB3 GLU 61 HB1 GLU 61 -19.308 -1.982 -5.648 936 HG2 GLU 61 HG2 GLU 61 -22.141 -2.608 -4.902 937 HG3 GLU 61 HG1 GLU 61 -21.191 -3.679 -5.932 938 H GLU 62 HN GLU 62 -19.983 1.415 -3.276 939 HA GLU 62 HA GLU 62 -17.344 1.860 -4.505 940 HB2 GLU 62 HB2 GLU 62 -18.166 4.254 -3.225 941 HB3 GLU 62 HB1 GLU 62 -17.897 3.976 -4.938 942 HG2 GLU 62 HG2 GLU 62 -20.274 3.092 -5.010 943 HG3 GLU 62 HG1 GLU 62 -20.464 3.789 -3.402 944 H GLU 63 HN GLU 63 -16.697 0.275 -2.838 945 HA GLU 63 HA GLU 63 -15.567 -0.191 -0.916 946 HB2 GLU 63 HB2 GLU 63 -15.130 2.531 -1.324 947 HB3 GLU 63 HB1 GLU 63 -15.662 2.428 0.348 948 HG2 GLU 63 HG2 GLU 63 -13.458 2.118 0.693 949 HG3 GLU 63 HG1 GLU 63 -13.893 0.441 0.367 950 H ASP 64 HN ASP 64 -17.651 2.473 0.176 951 HA ASP 64 HA ASP 64 -19.533 0.730 1.436 952 HB2 ASP 64 HB2 ASP 64 -17.684 0.548 3.049 953 HB3 ASP 64 HB1 ASP 64 -17.651 2.301 3.213 954 H ASP 65 HN ASP 65 -18.265 3.937 2.318 955 HA ASP 65 HA ASP 65 -20.061 5.527 0.949 956 HB2 ASP 65 HB2 ASP 65 -21.863 4.426 2.163 957 HB3 ASP 65 HB1 ASP 65 -21.081 4.778 3.700 958 H GLU 66 HN GLU 66 -18.068 6.667 0.932 959 HA GLU 66 HA GLU 66 -16.461 8.117 1.674 960 HB2 GLU 66 HB2 GLU 66 -17.340 10.101 2.740 961 HB3 GLU 66 HB1 GLU 66 -18.483 9.537 1.529 962 HG2 GLU 66 HG2 GLU 66 -19.990 8.770 3.136 963 HG3 GLU 66 HG1 GLU 66 -18.777 8.789 4.415 964 H ARG 67 HN ARG 67 -16.397 5.737 3.130 965 HA ARG 67 HA ARG 67 -15.057 6.622 5.492 966 HB2 ARG 67 HB2 ARG 67 -17.509 4.883 5.749 967 HB3 ARG 67 HB1 ARG 67 -16.358 5.180 7.044 968 HG2 ARG 67 HG2 ARG 67 -16.893 7.588 6.918 969 HG3 ARG 67 HG1 ARG 67 -18.115 7.221 5.700 970 HD2 ARG 67 HD2 ARG 67 -18.977 7.472 8.045 971 HD3 ARG 67 HD1 ARG 67 -19.403 5.962 7.241 972 HE ARG 67 HE ARG 67 -18.179 4.824 8.804 973 HH11 ARG 67 HH11 ARG 67 -17.318 8.203 8.942 974 HH12 ARG 67 HH12 ARG 67 -16.356 8.028 10.371 975 HH21 ARG 67 HH21 ARG 67 -16.914 4.592 10.684 976 HH22 ARG 67 HH22 ARG 67 -16.126 5.978 11.360 977 H GLY 68 HN GLY 68 -16.375 3.892 3.732 978 HA2 GLY 68 HA2 GLY 68 -14.699 1.877 4.685 979 HA3 GLY 68 HA1 GLY 68 -15.453 1.883 3.100 980 H ALA 69 HN ALA 69 -13.821 4.603 2.855 981 HA ALA 69 HA ALA 69 -11.199 3.409 2.356 982 HB1 ALA 69 HB1 ALA 69 -13.048 4.520 0.326 983 HB2 ALA 69 HB2 ALA 69 -11.866 3.218 0.193 984 HB3 ALA 69 HB3 ALA 69 -11.333 4.898 0.157 985 H ASP 70 HN ASP 70 -11.567 4.960 4.500 986 HA ASP 70 HA ASP 70 -9.993 7.303 3.852 987 HB2 ASP 70 HB2 ASP 70 -12.362 8.052 3.623 988 HB3 ASP 70 HB1 ASP 70 -12.618 7.632 5.314 989 H ALA 71 HN ALA 71 -9.462 4.901 5.329 990 HA ALA 71 HA ALA 71 -8.659 6.132 7.851 991 HB1 ALA 71 HB1 ALA 71 -10.874 4.853 8.111 992 HB2 ALA 71 HB2 ALA 71 -9.585 4.535 9.278 993 HB3 ALA 71 HB3 ALA 71 -9.884 3.403 7.952 994 H THR 72 HN THR 72 -6.865 5.818 5.973 995 HA THR 72 HA THR 72 -5.247 3.611 6.955 996 HB THR 72 HB THR 72 -4.567 3.379 4.389 997 HG1 THR 72 HG1 THR 72 -6.532 3.413 3.178 998 HG21 THR 72 HG21 THR 72 -6.358 1.906 6.125 999 HG22 THR 72 HG22 THR 72 -5.107 1.332 5.025 1000 HG23 THR 72 HG23 THR 72 -6.718 1.694 4.414 1001 H TRP 73 HN TRP 73 -5.467 6.708 5.393 1002 HA TRP 73 HA TRP 73 -2.595 6.956 5.109 1003 HB2 TRP 73 HB2 TRP 73 -4.397 9.328 4.881 1004 HB3 TRP 73 HB1 TRP 73 -2.960 8.921 3.953 1005 HD1 TRP 73 HD1 TRP 73 -5.846 9.772 2.731 1006 HE1 TRP 73 HE1 TRP 73 -6.947 8.215 1.006 1007 HE3 TRP 73 HE3 TRP 73 -3.353 5.477 3.828 1008 HZ2 TRP 73 HZ2 TRP 73 -6.769 5.508 0.228 1009 HZ3 TRP 73 HZ3 TRP 73 -3.875 3.439 2.554 1010 HH2 TRP 73 HH2 TRP 73 -5.547 3.452 0.820 1011 H ASP 74 HN ASP 74 -3.000 6.374 7.649 1012 HA ASP 74 HA ASP 74 -1.961 8.655 9.033 1013 HB2 ASP 74 HB2 ASP 74 -4.577 8.814 9.020 1014 HB3 ASP 74 HB1 ASP 74 -4.479 7.554 10.246 1015 H LEU 75 HN LEU 75 -2.219 5.398 8.561 1016 HA LEU 75 HA LEU 75 -0.994 4.801 11.160 1017 HB2 LEU 75 HB2 LEU 75 -1.889 2.431 10.726 1018 HB3 LEU 75 HB1 LEU 75 -3.000 3.652 11.311 1019 HG LEU 75 HG LEU 75 -3.911 2.155 9.523 1020 HD11 LEU 75 HD11 LEU 75 -4.403 4.761 10.007 1021 HD12 LEU 75 HD12 LEU 75 -5.304 3.787 8.844 1022 HD13 LEU 75 HD13 LEU 75 -3.984 4.817 8.298 1023 HD21 LEU 75 HD21 LEU 75 -3.275 2.666 7.190 1024 HD22 LEU 75 HD22 LEU 75 -1.971 1.906 8.112 1025 HD23 LEU 75 HD23 LEU 75 -1.942 3.642 7.799 1026 H ASP 76 HN ASP 76 -0.473 5.045 7.904 1027 HA ASP 76 HA ASP 76 1.199 2.763 7.569 1028 HB2 ASP 76 HB2 ASP 76 1.770 3.972 5.401 1029 HB3 ASP 76 HB1 ASP 76 0.103 3.478 5.614 1030 H LEU 77 HN LEU 77 1.550 6.048 8.530 1031 HA LEU 77 HA LEU 77 4.286 6.436 7.999 1032 HB2 LEU 77 HB2 LEU 77 2.439 7.666 10.028 1033 HB3 LEU 77 HB1 LEU 77 4.074 8.229 9.761 1034 HG LEU 77 HG LEU 77 1.734 9.097 8.501 1035 HD11 LEU 77 HD11 LEU 77 4.254 9.739 7.153 1036 HD12 LEU 77 HD12 LEU 77 4.245 10.009 8.896 1037 HD13 LEU 77 HD13 LEU 77 3.039 10.794 7.876 1038 HD21 LEU 77 HD21 LEU 77 2.259 8.685 6.104 1039 HD22 LEU 77 HD22 LEU 77 1.711 7.262 6.987 1040 HD23 LEU 77 HD23 LEU 77 3.422 7.462 6.619 1041 H LEU 78 HN LEU 78 5.768 7.010 10.004 1042 HA LEU 78 HA LEU 78 7.015 6.287 11.759 1043 HB2 LEU 78 HB2 LEU 78 4.650 4.548 12.462 1044 HB3 LEU 78 HB1 LEU 78 6.002 4.935 13.507 1045 HG LEU 78 HG LEU 78 5.178 7.421 13.035 1046 HD11 LEU 78 HD11 LEU 78 3.318 7.383 11.781 1047 HD12 LEU 78 HD12 LEU 78 2.519 6.971 13.298 1048 HD13 LEU 78 HD13 LEU 78 2.968 5.697 12.164 1049 HD21 LEU 78 HD21 LEU 78 4.331 5.393 15.046 1050 HD22 LEU 78 HD22 LEU 78 3.574 6.985 15.068 1051 HD23 LEU 78 HD23 LEU 78 5.322 6.837 15.247 1052 H LEU 79 HN LEU 79 7.989 5.301 9.680 1053 HA LEU 79 HA LEU 79 8.002 2.368 9.848 1054 HB2 LEU 79 HB2 LEU 79 8.861 4.254 7.659 1055 HB3 LEU 79 HB1 LEU 79 9.176 2.530 7.620 1056 HG LEU 79 HG LEU 79 6.363 3.461 7.984 1057 HD11 LEU 79 HD11 LEU 79 6.620 4.739 6.132 1058 HD12 LEU 79 HD12 LEU 79 6.408 3.181 5.333 1059 HD13 LEU 79 HD13 LEU 79 8.027 3.839 5.568 1060 HD21 LEU 79 HD21 LEU 79 6.273 1.390 6.300 1061 HD22 LEU 79 HD22 LEU 79 6.335 1.196 8.052 1062 HD23 LEU 79 HD23 LEU 79 7.807 1.037 7.094 1063 H THR 80 HN THR 80 10.433 4.781 8.872 1064 HA THR 80 HA THR 80 12.333 3.453 10.652 1065 HB THR 80 HB THR 80 14.092 4.235 8.984 1066 HG1 THR 80 HG1 THR 80 12.932 5.668 7.764 1067 HG21 THR 80 HG21 THR 80 13.376 1.887 9.099 1068 HG22 THR 80 HG22 THR 80 13.801 2.394 7.464 1069 HG23 THR 80 HG23 THR 80 12.105 2.239 7.928 1070 H ASN 81 HN ASN 81 12.090 4.864 12.366 1071 HA ASN 81 HA ASN 81 12.910 7.648 11.848 1072 HB2 ASN 81 HB2 ASN 81 11.238 6.716 14.184 1073 HB3 ASN 81 HB1 ASN 81 11.545 8.374 13.675 1074 HD21 ASN 81 HD21 ASN 81 10.920 8.697 11.255 1075 HD22 ASN 81 HD22 ASN 81 9.342 8.130 10.840 1076 H PHE 82 HN PHE 82 13.402 8.481 14.401 1077 HA PHE 82 HA PHE 82 15.708 6.815 15.157 1078 HB2 PHE 82 HB2 PHE 82 15.263 9.782 15.548 1079 HB3 PHE 82 HB1 PHE 82 16.679 8.891 16.095 1080 HD1 PHE 82 HD1 PHE 82 17.766 7.410 14.116 1081 HD2 PHE 82 HD2 PHE 82 15.501 10.978 13.617 1082 HE1 PHE 82 HE1 PHE 82 18.845 7.785 11.937 1083 HE2 PHE 82 HE2 PHE 82 16.576 11.360 11.436 1084 HZ PHE 82 HZ PHE 82 18.250 9.762 10.594 1085 H SER 83 HN SER 83 13.063 6.283 16.102 1086 HA SER 83 HA SER 83 13.142 7.177 18.892 1087 HB2 SER 83 HB2 SER 83 10.927 5.545 17.672 1088 HB3 SER 83 HB1 SER 83 10.858 6.647 19.047 1089 HG SER 83 HG SER 83 9.973 7.741 17.362 1090 H GLY 84 HN GLY 84 14.852 5.851 19.602 1091 HA2 GLY 84 HA2 GLY 84 14.616 3.750 21.065 1092 HA3 GLY 84 HA1 GLY 84 14.342 2.952 19.523 1093 HA PRO 85 HA PRO 85 18.996 3.550 20.585 1094 HB2 PRO 85 HB2 PRO 85 19.558 1.196 21.813 1095 HB3 PRO 85 HB1 PRO 85 19.083 2.649 22.699 1096 HG2 PRO 85 HG2 PRO 85 17.422 0.290 21.900 1097 HG3 PRO 85 HG1 PRO 85 17.451 1.167 23.441 1098 HD2 PRO 85 HD2 PRO 85 15.540 1.576 21.567 1099 HD3 PRO 85 HD1 PRO 85 16.114 2.867 22.642 Start of MODEL 5 1 H2 PRO 1 HT1 PRO 1 1.636 -17.672 4.010 2 H3 PRO 1 HT2 PRO 1 1.304 -19.260 3.741 3 HA PRO 1 HA PRO 1 -0.638 -18.583 4.137 4 HB2 PRO 1 HB2 PRO 1 -0.748 -18.883 6.879 5 HB3 PRO 1 HB1 PRO 1 -0.723 -20.214 5.715 6 HG2 PRO 1 HG2 PRO 1 1.316 -19.504 7.577 7 HG3 PRO 1 HG1 PRO 1 1.374 -20.770 6.342 8 HD2 PRO 1 HD2 PRO 1 2.435 -17.981 6.249 9 HD3 PRO 1 HD1 PRO 1 3.057 -19.451 5.472 10 H SER 2 HN SER 2 0.978 -16.209 4.036 11 HA SER 2 HA SER 2 -0.780 -14.418 5.464 12 HB2 SER 2 HB2 SER 2 2.186 -14.123 5.939 13 HB3 SER 2 HB1 SER 2 0.867 -13.273 6.743 14 HG SER 2 HG SER 2 1.557 -14.876 8.112 15 H HIS 3 HN HIS 3 2.179 -14.697 3.523 16 HA HIS 3 HA HIS 3 2.111 -12.129 2.405 17 HB2 HIS 3 HB2 HIS 3 3.201 -14.650 1.144 18 HB3 HIS 3 HB1 HIS 3 3.635 -13.000 0.713 19 HD1 HIS 3 HD1 HIS 3 4.053 -15.513 3.491 20 HD2 HIS 3 HD2 HIS 3 5.602 -11.855 2.272 21 HE1 HIS 3 HE1 HIS 3 6.043 -15.100 4.970 22 HE2 HIS 3 HE2 HIS 3 7.015 -12.922 4.158 23 H SER 4 HN SER 4 0.656 -15.142 1.369 24 HA SER 4 HA SER 4 -0.500 -13.873 -0.970 25 HB2 SER 4 HB2 SER 4 -1.054 -16.673 0.016 26 HB3 SER 4 HB1 SER 4 -1.312 -16.025 -1.607 27 HG SER 4 HG SER 4 1.159 -16.524 -0.303 28 H GLY 5 HN GLY 5 -2.480 -13.131 -1.146 29 HA2 GLY 5 HA2 GLY 5 -4.633 -13.953 0.577 30 HA3 GLY 5 HA1 GLY 5 -4.052 -12.324 0.914 31 H ALA 6 HN ALA 6 -6.529 -12.220 0.203 32 HA ALA 6 HA ALA 6 -6.602 -11.887 -2.712 33 HB1 ALA 6 HB1 ALA 6 -8.821 -12.183 -0.703 34 HB2 ALA 6 HB2 ALA 6 -8.353 -13.307 -1.981 35 HB3 ALA 6 HB3 ALA 6 -9.084 -11.755 -2.395 36 H ALA 7 HN ALA 7 -7.066 -9.991 -3.662 37 HA ALA 7 HA ALA 7 -7.774 -7.679 -2.052 38 HB1 ALA 7 HB1 ALA 7 -5.894 -6.417 -2.427 39 HB2 ALA 7 HB2 ALA 7 -5.438 -7.335 -3.863 40 HB3 ALA 7 HB3 ALA 7 -5.184 -8.023 -2.259 41 H ILE 8 HN ILE 8 -8.463 -5.851 -3.312 42 HA ILE 8 HA ILE 8 -9.029 -6.516 -6.115 43 HB ILE 8 HB ILE 8 -11.015 -5.364 -4.158 44 HG12 ILE 8 HG12 ILE 8 -11.512 -7.830 -5.729 45 HG13 ILE 8 HG11 ILE 8 -10.378 -7.946 -4.387 46 HG21 ILE 8 HG21 ILE 8 -10.907 -5.497 -7.111 47 HG22 ILE 8 HG22 ILE 8 -11.711 -4.327 -6.064 48 HG23 ILE 8 HG23 ILE 8 -12.452 -5.900 -6.363 49 HD11 ILE 8 HD11 ILE 8 -12.333 -6.698 -3.118 50 HD12 ILE 8 HD12 ILE 8 -12.293 -8.454 -3.292 51 HD13 ILE 8 HD13 ILE 8 -13.298 -7.483 -4.369 52 H PHE 9 HN PHE 9 -9.062 -4.859 -7.544 53 HA PHE 9 HA PHE 9 -8.767 -2.121 -6.609 54 HB2 PHE 9 HB2 PHE 9 -6.461 -2.924 -6.675 55 HB3 PHE 9 HB1 PHE 9 -6.685 -3.483 -8.330 56 HD1 PHE 9 HD2 PHE 9 -7.090 -1.820 -10.130 57 HD2 PHE 9 HD1 PHE 9 -5.896 -0.691 -6.208 58 HE1 PHE 9 HE2 PHE 9 -6.374 0.379 -10.985 59 HE2 PHE 9 HE1 PHE 9 -5.183 1.510 -7.046 60 HZ PHE 9 HZ PHE 9 -5.420 2.047 -9.441 61 H GLU 10 HN GLU 10 -9.420 -0.592 -8.114 62 HA GLU 10 HA GLU 10 -10.773 0.173 -9.775 63 HB2 GLU 10 HB2 GLU 10 -8.598 -1.334 -11.039 64 HB3 GLU 10 HB1 GLU 10 -10.001 -1.100 -12.070 65 HG2 GLU 10 HG2 GLU 10 -9.894 1.299 -11.687 66 HG3 GLU 10 HG1 GLU 10 -8.490 1.071 -10.644 67 H LYS 11 HN LYS 11 -11.809 -2.042 -8.309 68 HA LYS 11 HA LYS 11 -13.679 -3.330 -8.324 69 HB2 LYS 11 HB2 LYS 11 -14.222 -2.827 -11.214 70 HB3 LYS 11 HB1 LYS 11 -15.342 -2.916 -9.863 71 HG2 LYS 11 HG2 LYS 11 -14.175 -0.705 -9.115 72 HG3 LYS 11 HG1 LYS 11 -13.695 -0.616 -10.811 73 HD2 LYS 11 HD2 LYS 11 -16.525 -0.892 -9.796 74 HD3 LYS 11 HD1 LYS 11 -15.787 0.597 -10.387 75 HE2 LYS 11 HE2 LYS 11 -15.314 -0.780 -12.529 76 HE3 LYS 11 HE1 LYS 11 -16.553 -1.868 -11.904 77 HZ1 LYS 11 HZ1 LYS 11 -17.698 -0.390 -13.267 78 HZ2 LYS 11 HZ2 LYS 11 -16.834 0.958 -12.721 79 HZ3 LYS 11 HZ3 LYS 11 -17.972 0.219 -11.712 80 H VAL 12 HN VAL 12 -10.943 -4.184 -9.495 81 HA VAL 12 HA VAL 12 -11.931 -6.638 -10.803 82 HB VAL 12 HB VAL 12 -9.141 -5.503 -11.037 83 HG11 VAL 12 HG11 VAL 12 -8.625 -7.280 -12.321 84 HG12 VAL 12 HG12 VAL 12 -10.220 -7.332 -13.072 85 HG13 VAL 12 HG13 VAL 12 -9.973 -8.042 -11.477 86 HG21 VAL 12 HG21 VAL 12 -11.014 -4.080 -12.038 87 HG22 VAL 12 HG22 VAL 12 -11.229 -5.396 -13.192 88 HG23 VAL 12 HG23 VAL 12 -9.688 -4.543 -13.105 89 H SER 13 HN SER 13 -11.787 -8.400 -9.562 90 HA SER 13 HA SER 13 -10.142 -8.286 -7.177 91 HB2 SER 13 HB2 SER 13 -11.278 -10.366 -6.524 92 HB3 SER 13 HB1 SER 13 -12.431 -9.098 -6.940 93 HG SER 13 HG SER 13 -12.791 -10.095 -8.903 94 H GLY 14 HN GLY 14 -8.628 -9.773 -6.582 95 HA2 GLY 14 HA2 GLY 14 -7.721 -11.865 -8.322 96 HA3 GLY 14 HA1 GLY 14 -6.673 -10.452 -8.356 97 H ILE 15 HN ILE 15 -5.301 -12.439 -7.516 98 HA ILE 15 HA ILE 15 -5.527 -12.516 -4.580 99 HB ILE 15 HB ILE 15 -3.697 -14.343 -6.095 100 HG12 ILE 15 HG12 ILE 15 -5.855 -15.934 -5.777 101 HG13 ILE 15 HG11 ILE 15 -6.663 -14.402 -6.095 102 HG21 ILE 15 HG21 ILE 15 -5.005 -14.252 -3.422 103 HG22 ILE 15 HG22 ILE 15 -3.338 -14.649 -3.850 104 HG23 ILE 15 HG23 ILE 15 -4.624 -15.826 -4.119 105 HD11 ILE 15 HD11 ILE 15 -6.472 -15.116 -8.223 106 HD12 ILE 15 HD12 ILE 15 -5.054 -16.108 -7.881 107 HD13 ILE 15 HD13 ILE 15 -4.883 -14.364 -8.082 108 H ILE 16 HN ILE 16 -4.025 -11.615 -3.385 109 HA ILE 16 HA ILE 16 -1.764 -10.329 -4.728 110 HB ILE 16 HB ILE 16 -3.269 -8.830 -3.580 111 HG12 ILE 16 HG12 ILE 16 -0.874 -9.006 -1.774 112 HG13 ILE 16 HG11 ILE 16 -0.711 -8.531 -3.463 113 HG21 ILE 16 HG21 ILE 16 -2.756 -10.516 -1.143 114 HG22 ILE 16 HG22 ILE 16 -4.286 -10.302 -1.994 115 HG23 ILE 16 HG23 ILE 16 -3.562 -8.950 -1.123 116 HD11 ILE 16 HD11 ILE 16 -1.916 -7.078 -1.188 117 HD12 ILE 16 HD12 ILE 16 -2.656 -6.865 -2.778 118 HD13 ILE 16 HD13 ILE 16 -0.950 -6.480 -2.538 119 H ALA 17 HN ALA 17 0.278 -11.119 -4.367 120 HA ALA 17 HA ALA 17 0.777 -12.495 -1.813 121 HB1 ALA 17 HB1 ALA 17 1.793 -14.371 -2.830 122 HB2 ALA 17 HB2 ALA 17 1.748 -13.621 -4.425 123 HB3 ALA 17 HB3 ALA 17 0.250 -14.136 -3.651 124 H ILE 18 HN ILE 18 2.785 -12.230 -0.951 125 HA ILE 18 HA ILE 18 4.494 -10.239 -2.238 126 HB ILE 18 HB ILE 18 4.774 -11.442 0.517 127 HG12 ILE 18 HG12 ILE 18 3.728 -8.685 0.024 128 HG13 ILE 18 HG11 ILE 18 2.627 -10.051 -0.140 129 HG21 ILE 18 HG21 ILE 18 5.938 -8.914 -0.640 130 HG22 ILE 18 HG22 ILE 18 6.813 -10.433 -0.442 131 HG23 ILE 18 HG23 ILE 18 6.220 -9.566 0.975 132 HD11 ILE 18 HD11 ILE 18 3.797 -10.597 2.241 133 HD12 ILE 18 HD12 ILE 18 2.276 -9.726 2.041 134 HD13 ILE 18 HD13 ILE 18 3.783 -8.834 2.253 135 H ASN 19 HN ASN 19 6.629 -10.569 -2.735 136 HA ASN 19 HA ASN 19 7.619 -13.345 -2.633 137 HB2 ASN 19 HB2 ASN 19 7.819 -11.336 -4.875 138 HB3 ASN 19 HB1 ASN 19 8.805 -12.793 -4.797 139 HD21 ASN 19 HD21 ASN 19 6.104 -11.513 -6.100 140 HD22 ASN 19 HD22 ASN 19 5.201 -12.955 -6.397 141 H GLU 20 HN GLU 20 9.208 -13.430 -1.237 142 HA GLU 20 HA GLU 20 11.083 -11.177 -1.085 143 HB2 GLU 20 HB2 GLU 20 10.801 -13.394 0.941 144 HB3 GLU 20 HB1 GLU 20 11.621 -11.851 1.141 145 HG2 GLU 20 HG2 GLU 20 8.842 -11.482 0.454 146 HG3 GLU 20 HG1 GLU 20 9.026 -12.484 1.892 147 H ASP 21 HN ASP 21 11.031 -13.260 -3.087 148 HA ASP 21 HA ASP 21 13.472 -14.776 -2.505 149 HB2 ASP 21 HB2 ASP 21 11.482 -15.986 -3.409 150 HB3 ASP 21 HB1 ASP 21 11.610 -15.024 -4.878 151 H VAL 22 HN VAL 22 12.227 -12.162 -4.403 152 HA VAL 22 HA VAL 22 14.684 -12.044 -6.004 153 HB VAL 22 HB VAL 22 13.159 -9.864 -6.770 154 HG11 VAL 22 HG11 VAL 22 12.603 -11.317 -8.761 155 HG12 VAL 22 HG12 VAL 22 13.407 -12.634 -7.907 156 HG13 VAL 22 HG13 VAL 22 14.312 -11.186 -8.346 157 HG21 VAL 22 HG21 VAL 22 11.296 -12.195 -6.326 158 HG22 VAL 22 HG22 VAL 22 10.910 -10.705 -7.187 159 HG23 VAL 22 HG23 VAL 22 11.253 -10.660 -5.457 160 H SER 23 HN SER 23 15.627 -9.794 -6.319 161 HA SER 23 HA SER 23 16.657 -8.819 -3.966 162 HB2 SER 23 HB2 SER 23 16.502 -7.824 -6.733 163 HB3 SER 23 HB1 SER 23 16.758 -6.579 -5.510 164 HG SER 23 HG SER 23 18.315 -8.932 -5.835 165 HA PRO 24 HA PRO 24 13.408 -5.389 -3.555 166 HB2 PRO 24 HB2 PRO 24 11.638 -4.860 -5.486 167 HB3 PRO 24 HB1 PRO 24 13.301 -4.259 -5.583 168 HG2 PRO 24 HG2 PRO 24 12.051 -6.606 -6.955 169 HG3 PRO 24 HG1 PRO 24 13.193 -5.412 -7.598 170 HD2 PRO 24 HD2 PRO 24 13.904 -7.925 -6.716 171 HD3 PRO 24 HD1 PRO 24 15.004 -6.536 -6.782 172 H ALA 25 HN ALA 25 12.657 -7.064 -2.113 173 HA ALA 25 HA ALA 25 10.809 -9.034 -2.601 174 HB1 ALA 25 HB1 ALA 25 11.172 -9.291 -0.429 175 HB2 ALA 25 HB2 ALA 25 10.011 -7.995 -0.144 176 HB3 ALA 25 HB3 ALA 25 11.732 -7.627 -0.265 177 H GLU 26 HN GLU 26 9.273 -8.542 -4.038 178 HA GLU 26 HA GLU 26 7.343 -6.439 -3.319 179 HB2 GLU 26 HB2 GLU 26 6.842 -6.354 -5.770 180 HB3 GLU 26 HB1 GLU 26 8.456 -5.809 -5.311 181 HG2 GLU 26 HG2 GLU 26 9.484 -7.543 -6.350 182 HG3 GLU 26 HG1 GLU 26 8.149 -8.657 -6.063 183 H LEU 27 HN LEU 27 5.123 -6.823 -4.351 184 HA LEU 27 HA LEU 27 4.427 -9.645 -4.111 185 HB2 LEU 27 HB2 LEU 27 2.326 -8.999 -3.061 186 HB3 LEU 27 HB1 LEU 27 3.696 -8.429 -2.129 187 HG LEU 27 HG LEU 27 3.337 -6.195 -3.406 188 HD11 LEU 27 HD11 LEU 27 0.989 -7.774 -4.195 189 HD12 LEU 27 HD12 LEU 27 1.739 -6.382 -4.975 190 HD13 LEU 27 HD13 LEU 27 0.641 -6.144 -3.617 191 HD21 LEU 27 HD21 LEU 27 2.723 -7.011 -0.939 192 HD22 LEU 27 HD22 LEU 27 1.098 -6.675 -1.535 193 HD23 LEU 27 HD23 LEU 27 2.320 -5.404 -1.543 194 H THR 28 HN THR 28 2.824 -10.433 -5.494 195 HA THR 28 HA THR 28 2.188 -8.637 -7.703 196 HB THR 28 HB THR 28 1.818 -10.827 -8.910 197 HG1 THR 28 HG1 THR 28 2.779 -12.616 -8.076 198 HG21 THR 28 HG21 THR 28 4.440 -9.738 -8.130 199 HG22 THR 28 HG22 THR 28 3.618 -9.714 -9.691 200 HG23 THR 28 HG23 THR 28 4.357 -11.205 -9.106 201 H TRP 29 HN TRP 29 0.195 -8.680 -8.638 202 HA TRP 29 HA TRP 29 -1.926 -9.946 -7.026 203 HB2 TRP 29 HB2 TRP 29 -1.813 -7.492 -6.693 204 HB3 TRP 29 HB1 TRP 29 -2.081 -7.272 -8.421 205 HD1 TRP 29 HD1 TRP 29 -3.873 -8.463 -5.255 206 HE1 TRP 29 HE1 TRP 29 -6.403 -8.381 -5.673 207 HE3 TRP 29 HE3 TRP 29 -3.825 -7.299 -10.230 208 HZ2 TRP 29 HZ2 TRP 29 -8.154 -7.884 -7.821 209 HZ3 TRP 29 HZ3 TRP 29 -5.986 -7.043 -11.395 210 HH2 TRP 29 HH2 TRP 29 -8.101 -7.329 -10.213 211 H ARG 30 HN ARG 30 -2.727 -11.574 -8.225 212 HA ARG 30 HA ARG 30 -3.097 -11.113 -11.110 213 HB2 ARG 30 HB2 ARG 30 -3.328 -13.836 -9.910 214 HB3 ARG 30 HB1 ARG 30 -2.778 -13.362 -11.510 215 HG2 ARG 30 HG2 ARG 30 -0.755 -13.874 -10.697 216 HG3 ARG 30 HG1 ARG 30 -0.842 -12.265 -9.980 217 HD2 ARG 30 HD2 ARG 30 -1.316 -13.081 -7.878 218 HD3 ARG 30 HD1 ARG 30 -1.992 -14.585 -8.500 219 HE ARG 30 HE ARG 30 0.689 -14.138 -7.729 220 HH11 ARG 30 HH11 ARG 30 -1.214 -15.778 -10.151 221 HH12 ARG 30 HH12 ARG 30 -0.025 -17.005 -10.434 222 HH21 ARG 30 HH21 ARG 30 2.255 -15.750 -8.100 223 HH22 ARG 30 HH22 ARG 30 1.944 -16.989 -9.270 224 H SER 31 HN SER 31 -5.108 -10.757 -11.801 225 HA SER 31 HA SER 31 -7.352 -10.654 -10.211 226 HB2 SER 31 HB2 SER 31 -8.608 -11.003 -12.473 227 HB3 SER 31 HB1 SER 31 -7.593 -9.578 -12.258 228 HG SER 31 HG SER 31 -6.756 -11.994 -13.491 229 H THR 32 HN THR 32 -9.161 -11.990 -9.896 230 HA THR 32 HA THR 32 -8.590 -14.713 -9.480 231 HB THR 32 HB THR 32 -11.384 -14.471 -9.583 232 HG1 THR 32 HG1 THR 32 -10.311 -12.189 -8.309 233 HG21 THR 32 HG21 THR 32 -10.855 -13.937 -6.992 234 HG22 THR 32 HG22 THR 32 -9.329 -14.658 -7.504 235 HG23 THR 32 HG23 THR 32 -10.838 -15.550 -7.704 236 H ASP 33 HN ASP 33 -9.887 -12.987 -12.176 237 HA ASP 33 HA ASP 33 -10.994 -15.257 -13.497 238 HB2 ASP 33 HB2 ASP 33 -11.801 -12.964 -13.931 239 HB3 ASP 33 HB1 ASP 33 -10.237 -12.562 -14.633 240 H GLY 34 HN GLY 34 -7.894 -13.736 -13.357 241 HA2 GLY 34 HA2 GLY 34 -5.851 -14.661 -13.986 242 HA3 GLY 34 HA1 GLY 34 -6.718 -15.942 -14.819 243 H ASP 35 HN ASP 35 -7.465 -12.588 -15.379 244 HA ASP 35 HA ASP 35 -6.378 -12.861 -18.066 245 HB2 ASP 35 HB2 ASP 35 -8.917 -12.412 -17.543 246 HB3 ASP 35 HB1 ASP 35 -8.366 -10.748 -17.376 247 H LYS 36 HN LYS 36 -6.275 -10.970 -15.186 248 HA LYS 36 HA LYS 36 -4.216 -9.278 -16.418 249 HB2 LYS 36 HB2 LYS 36 -5.035 -7.338 -15.185 250 HB3 LYS 36 HB1 LYS 36 -6.270 -7.962 -16.268 251 HG2 LYS 36 HG2 LYS 36 -6.256 -8.892 -13.450 252 HG3 LYS 36 HG1 LYS 36 -6.826 -7.260 -13.800 253 HD2 LYS 36 HD2 LYS 36 -7.868 -9.789 -15.077 254 HD3 LYS 36 HD1 LYS 36 -8.663 -8.895 -13.780 255 HE2 LYS 36 HE2 LYS 36 -8.513 -6.886 -15.406 256 HE3 LYS 36 HE1 LYS 36 -8.257 -8.116 -16.642 257 HZ1 LYS 36 HZ1 LYS 36 -10.532 -8.369 -14.795 258 HZ2 LYS 36 HZ2 LYS 36 -10.364 -8.952 -16.374 259 HZ3 LYS 36 HZ3 LYS 36 -10.641 -7.305 -16.107 260 H VAL 37 HN VAL 37 -2.681 -8.388 -14.972 261 HA VAL 37 HA VAL 37 -2.576 -9.481 -12.279 262 HB VAL 37 HB VAL 37 -0.001 -9.722 -13.696 263 HG11 VAL 37 HG11 VAL 37 -0.712 -10.370 -11.276 264 HG12 VAL 37 HG12 VAL 37 0.396 -11.404 -12.177 265 HG13 VAL 37 HG13 VAL 37 -1.308 -11.838 -12.050 266 HG21 VAL 37 HG21 VAL 37 -0.522 -11.874 -14.719 267 HG22 VAL 37 HG22 VAL 37 -1.508 -10.592 -15.424 268 HG23 VAL 37 HG23 VAL 37 -2.213 -11.701 -14.247 269 H HIS 38 HN HIS 38 -1.410 -8.223 -10.858 270 HA HIS 38 HA HIS 38 -0.035 -5.880 -11.972 271 HB2 HIS 38 HB2 HIS 38 -2.455 -5.513 -11.016 272 HB3 HIS 38 HB1 HIS 38 -1.642 -5.612 -9.458 273 HD1 HIS 38 HD1 HIS 38 -0.975 -3.408 -8.584 274 HD2 HIS 38 HD2 HIS 38 -1.004 -3.466 -12.739 275 HE1 HIS 38 HE1 HIS 38 -0.350 -1.078 -9.293 276 HE2 HIS 38 HE2 HIS 38 -0.287 -1.161 -11.810 277 H THR 39 HN THR 39 1.996 -6.144 -11.424 278 HA THR 39 HA THR 39 2.718 -7.375 -8.854 279 HB THR 39 HB THR 39 4.573 -6.509 -11.084 280 HG1 THR 39 HG1 THR 39 3.844 -8.092 -12.214 281 HG21 THR 39 HG21 THR 39 6.139 -7.212 -9.691 282 HG22 THR 39 HG22 THR 39 5.507 -8.841 -9.934 283 HG23 THR 39 HG23 THR 39 4.948 -7.872 -8.570 284 H VAL 40 HN VAL 40 2.753 -5.890 -7.235 285 HA VAL 40 HA VAL 40 3.679 -3.174 -7.786 286 HB VAL 40 HB VAL 40 2.614 -4.283 -5.186 287 HG11 VAL 40 HG11 VAL 40 3.992 -1.976 -5.605 288 HG12 VAL 40 HG12 VAL 40 2.813 -2.222 -4.316 289 HG13 VAL 40 HG13 VAL 40 2.327 -1.433 -5.817 290 HG21 VAL 40 HG21 VAL 40 0.463 -3.660 -5.771 291 HG22 VAL 40 HG22 VAL 40 1.080 -4.320 -7.285 292 HG23 VAL 40 HG23 VAL 40 1.013 -2.574 -7.047 293 H VAL 41 HN VAL 41 5.830 -2.875 -7.692 294 HA VAL 41 HA VAL 41 7.516 -4.618 -6.212 295 HB VAL 41 HB VAL 41 8.316 -1.948 -7.344 296 HG11 VAL 41 HG11 VAL 41 9.714 -4.114 -5.976 297 HG12 VAL 41 HG12 VAL 41 10.238 -2.463 -6.315 298 HG13 VAL 41 HG13 VAL 41 10.431 -3.716 -7.539 299 HG21 VAL 41 HG21 VAL 41 7.196 -3.696 -8.921 300 HG22 VAL 41 HG22 VAL 41 8.734 -4.544 -8.765 301 HG23 VAL 41 HG23 VAL 41 8.692 -2.905 -9.415 302 H LEU 42 HN LEU 42 7.225 -4.625 -4.091 303 HA LEU 42 HA LEU 42 6.536 -2.587 -2.381 304 HB2 LEU 42 HB2 LEU 42 8.071 -5.104 -2.129 305 HB3 LEU 42 HB1 LEU 42 8.165 -3.986 -0.787 306 HG LEU 42 HG LEU 42 5.688 -4.059 -0.595 307 HD11 LEU 42 HD11 LEU 42 4.334 -5.265 -1.952 308 HD12 LEU 42 HD12 LEU 42 5.557 -6.496 -2.267 309 HD13 LEU 42 HD13 LEU 42 5.621 -4.950 -3.113 310 HD21 LEU 42 HD21 LEU 42 5.832 -6.751 -0.143 311 HD22 LEU 42 HD22 LEU 42 6.379 -5.500 0.974 312 HD23 LEU 42 HD23 LEU 42 7.532 -6.278 -0.111 313 H SER 43 HN SER 43 9.546 -3.157 -3.982 314 HA SER 43 HA SER 43 11.299 -1.731 -2.329 315 HB2 SER 43 HB2 SER 43 11.448 -3.021 -4.832 316 HB3 SER 43 HB1 SER 43 11.989 -1.365 -5.103 317 HG SER 43 HG SER 43 13.630 -1.655 -3.715 318 H THR 44 HN THR 44 9.527 -0.716 -5.190 319 HA THR 44 HA THR 44 10.189 2.028 -4.966 320 HB THR 44 HB THR 44 7.964 2.133 -6.418 321 HG1 THR 44 HG1 THR 44 7.515 0.204 -7.400 322 HG21 THR 44 HG21 THR 44 9.289 1.308 -8.421 323 HG22 THR 44 HG22 THR 44 10.611 1.043 -7.285 324 HG23 THR 44 HG23 THR 44 9.954 2.664 -7.511 325 H ILE 45 HN ILE 45 7.941 -0.063 -3.413 326 HA ILE 45 HA ILE 45 6.179 2.073 -2.540 327 HB ILE 45 HB ILE 45 6.263 -0.798 -1.608 328 HG12 ILE 45 HG12 ILE 45 5.876 -0.613 -4.043 329 HG13 ILE 45 HG11 ILE 45 4.456 -1.211 -3.193 330 HG21 ILE 45 HG21 ILE 45 3.761 0.752 -1.540 331 HG22 ILE 45 HG22 ILE 45 5.008 1.259 -0.402 332 HG23 ILE 45 HG23 ILE 45 4.417 -0.402 -0.379 333 HD11 ILE 45 HD11 ILE 45 4.701 1.035 -4.916 334 HD12 ILE 45 HD12 ILE 45 4.230 1.595 -3.312 335 HD13 ILE 45 HD13 ILE 45 3.258 0.380 -4.143 336 H ASP 46 HN ASP 46 7.629 3.427 -1.420 337 HA ASP 46 HA ASP 46 9.151 2.418 0.802 338 HB2 ASP 46 HB2 ASP 46 8.802 5.032 -0.553 339 HB3 ASP 46 HB1 ASP 46 9.269 5.085 1.144 340 H LYS 47 HN LYS 47 5.924 2.980 0.462 341 HA LYS 47 HA LYS 47 5.577 3.170 3.334 342 HB2 LYS 47 HB2 LYS 47 5.108 5.415 1.554 343 HB3 LYS 47 HB1 LYS 47 3.645 4.958 2.416 344 HG2 LYS 47 HG2 LYS 47 4.521 6.429 3.906 345 HG3 LYS 47 HG1 LYS 47 5.282 4.945 4.483 346 HD2 LYS 47 HD2 LYS 47 7.339 5.634 3.894 347 HD3 LYS 47 HD1 LYS 47 6.776 6.316 2.367 348 HE2 LYS 47 HE2 LYS 47 6.302 8.365 3.301 349 HE3 LYS 47 HE1 LYS 47 6.077 7.695 4.916 350 HZ1 LYS 47 HZ1 LYS 47 8.268 7.820 5.371 351 HZ2 LYS 47 HZ2 LYS 47 8.239 9.038 4.198 352 HZ3 LYS 47 HZ3 LYS 47 8.750 7.479 3.785 353 H LEU 48 HN LEU 48 3.652 2.325 4.068 354 HA LEU 48 HA LEU 48 1.664 1.434 2.129 355 HB2 LEU 48 HB2 LEU 48 3.058 -0.483 2.167 356 HB3 LEU 48 HB1 LEU 48 3.272 -0.388 3.904 357 HG LEU 48 HG LEU 48 0.522 -0.853 2.855 358 HD11 LEU 48 HD11 LEU 48 1.711 -3.375 3.331 359 HD12 LEU 48 HD12 LEU 48 2.719 -2.522 2.162 360 HD13 LEU 48 HD13 LEU 48 1.003 -2.760 1.838 361 HD21 LEU 48 HD21 LEU 48 0.093 -1.508 4.957 362 HD22 LEU 48 HD22 LEU 48 1.590 -0.662 5.349 363 HD23 LEU 48 HD23 LEU 48 1.604 -2.407 5.092 364 H GLN 49 HN GLN 49 -0.400 1.088 3.030 365 HA GLN 49 HA GLN 49 -0.652 1.591 5.911 366 HB2 GLN 49 HB2 GLN 49 -2.544 2.969 4.048 367 HB3 GLN 49 HB1 GLN 49 -2.136 3.362 5.713 368 HG2 GLN 49 HG2 GLN 49 -0.069 4.311 5.085 369 HG3 GLN 49 HG1 GLN 49 -0.180 3.651 3.453 370 HE21 GLN 49 HE21 GLN 49 -1.856 5.830 5.683 371 HE22 GLN 49 HE22 GLN 49 -2.375 6.951 4.475 372 H ALA 50 HN ALA 50 -2.148 0.416 6.911 373 HA ALA 50 HA ALA 50 -4.026 -1.149 5.259 374 HB1 ALA 50 HB1 ALA 50 -2.149 -2.405 6.451 375 HB2 ALA 50 HB2 ALA 50 -3.794 -2.989 6.703 376 HB3 ALA 50 HB3 ALA 50 -3.003 -2.020 7.945 377 H THR 51 HN THR 51 -6.043 -1.813 6.476 378 HA THR 51 HA THR 51 -7.166 0.534 7.681 379 HB THR 51 HB THR 51 -9.229 -0.837 7.863 380 HG1 THR 51 HG1 THR 51 -7.681 -2.870 6.639 381 HG21 THR 51 HG21 THR 51 -7.797 -0.871 5.226 382 HG22 THR 51 HG22 THR 51 -8.947 0.322 5.820 383 HG23 THR 51 HG23 THR 51 -9.494 -1.308 5.430 384 HA PRO 52 HA PRO 52 -6.639 -0.731 11.911 385 HB2 PRO 52 HB2 PRO 52 -7.731 1.398 13.033 386 HB3 PRO 52 HB1 PRO 52 -6.348 1.586 11.946 387 HG2 PRO 52 HG2 PRO 52 -9.210 2.217 11.482 388 HG3 PRO 52 HG1 PRO 52 -7.766 2.957 10.772 389 HD2 PRO 52 HD2 PRO 52 -9.432 0.874 9.669 390 HD3 PRO 52 HD1 PRO 52 -8.007 1.641 8.941 391 H ALA 53 HN ALA 53 -7.782 -1.108 13.929 392 HA ALA 53 HA ALA 53 -10.195 -2.558 13.604 393 HB1 ALA 53 HB1 ALA 53 -10.001 -3.123 15.837 394 HB2 ALA 53 HB2 ALA 53 -9.275 -1.576 16.273 395 HB3 ALA 53 HB3 ALA 53 -8.326 -2.781 15.402 396 H SER 54 HN SER 54 -9.626 0.743 13.764 397 HA SER 54 HA SER 54 -11.729 1.738 15.317 398 HB2 SER 54 HB2 SER 54 -10.553 2.880 12.794 399 HB3 SER 54 HB1 SER 54 -11.441 3.787 14.021 400 HG SER 54 HG SER 54 -9.746 3.171 15.503 401 H SER 55 HN SER 55 -11.557 0.494 12.117 402 HA SER 55 HA SER 55 -14.475 0.759 11.851 403 HB2 SER 55 HB2 SER 55 -12.309 1.340 9.849 404 HB3 SER 55 HB1 SER 55 -13.934 0.894 9.323 405 HG SER 55 HG SER 55 -13.275 3.063 11.030 406 H GLU 56 HN GLU 56 -15.433 -0.829 10.355 407 HA GLU 56 HA GLU 56 -14.192 -3.431 10.747 408 HB2 GLU 56 HB2 GLU 56 -16.915 -2.670 9.675 409 HB3 GLU 56 HB1 GLU 56 -16.364 -4.318 9.944 410 HG2 GLU 56 HG2 GLU 56 -16.454 -4.120 12.236 411 HG3 GLU 56 HG1 GLU 56 -16.317 -2.363 12.195 412 H LYS 57 HN LYS 57 -13.581 -1.219 8.579 413 HA LYS 57 HA LYS 57 -14.102 -2.485 6.098 414 HB2 LYS 57 HB2 LYS 57 -11.844 -0.548 6.491 415 HB3 LYS 57 HB1 LYS 57 -12.897 -0.749 5.099 416 HG2 LYS 57 HG2 LYS 57 -13.445 0.645 7.685 417 HG3 LYS 57 HG1 LYS 57 -13.549 1.272 6.044 418 HD2 LYS 57 HD2 LYS 57 -15.546 0.058 5.614 419 HD3 LYS 57 HD1 LYS 57 -15.368 -0.891 7.087 420 HE2 LYS 57 HE2 LYS 57 -15.723 1.093 8.440 421 HE3 LYS 57 HE1 LYS 57 -15.829 2.086 6.987 422 HZ1 LYS 57 HZ1 LYS 57 -17.840 1.052 6.370 423 HZ2 LYS 57 HZ2 LYS 57 -18.000 1.419 8.013 424 HZ3 LYS 57 HZ3 LYS 57 -17.674 -0.168 7.530 425 H MET 58 HN MET 58 -11.756 -2.478 4.716 426 HA MET 58 HA MET 58 -9.606 -3.798 5.958 427 HB2 MET 58 HB2 MET 58 -10.016 -6.036 4.739 428 HB3 MET 58 HB1 MET 58 -10.858 -5.744 6.254 429 HG2 MET 58 HG2 MET 58 -12.325 -4.858 3.891 430 HG3 MET 58 HG1 MET 58 -12.004 -6.591 3.932 431 HE1 MET 58 HE1 MET 58 -15.608 -6.781 5.159 432 HE2 MET 58 HE2 MET 58 -14.323 -7.683 4.350 433 HE3 MET 58 HE3 MET 58 -14.808 -6.094 3.745 434 H MET 59 HN MET 59 -8.154 -2.760 4.730 435 HA MET 59 HA MET 59 -7.811 -3.540 2.029 436 HB2 MET 59 HB2 MET 59 -8.104 -1.361 0.960 437 HB3 MET 59 HB1 MET 59 -9.604 -1.912 1.686 438 HG2 MET 59 HG2 MET 59 -8.014 -0.271 3.475 439 HG3 MET 59 HG1 MET 59 -8.452 0.552 1.984 440 HE1 MET 59 HE1 MET 59 -10.357 1.480 5.197 441 HE2 MET 59 HE2 MET 59 -10.743 2.354 3.717 442 HE3 MET 59 HE3 MET 59 -9.075 1.890 4.057 443 H LEU 60 HN LEU 60 -5.815 -3.025 1.192 444 HA LEU 60 HA LEU 60 -3.974 -1.737 3.090 445 HB2 LEU 60 HB2 LEU 60 -3.398 -3.876 1.037 446 HB3 LEU 60 HB1 LEU 60 -2.198 -3.120 2.067 447 HG LEU 60 HG LEU 60 -4.480 -4.874 2.981 448 HD11 LEU 60 HD11 LEU 60 -1.569 -5.306 2.520 449 HD12 LEU 60 HD12 LEU 60 -2.934 -6.371 2.185 450 HD13 LEU 60 HD13 LEU 60 -2.362 -6.163 3.842 451 HD21 LEU 60 HD21 LEU 60 -3.727 -2.908 4.481 452 HD22 LEU 60 HD22 LEU 60 -2.276 -3.874 4.735 453 HD23 LEU 60 HD23 LEU 60 -3.857 -4.519 5.180 454 H ARG 61 HN ARG 61 -2.546 -0.217 2.351 455 HA ARG 61 HA ARG 61 -2.913 0.678 -0.435 456 HB2 ARG 61 HB2 ARG 61 -3.696 2.091 1.669 457 HB3 ARG 61 HB1 ARG 61 -2.004 2.560 1.691 458 HG2 ARG 61 HG2 ARG 61 -2.358 3.110 -0.803 459 HG3 ARG 61 HG1 ARG 61 -4.075 3.083 -0.399 460 HD2 ARG 61 HD2 ARG 61 -3.307 4.651 1.563 461 HD3 ARG 61 HD1 ARG 61 -1.935 4.956 0.498 462 HE ARG 61 HE ARG 61 -4.314 5.240 -0.967 463 HH11 ARG 61 HH11 ARG 61 -2.527 6.830 1.574 464 HH12 ARG 61 HH12 ARG 61 -3.136 8.405 1.188 465 HH21 ARG 61 HH21 ARG 61 -5.116 7.309 -1.476 466 HH22 ARG 61 HH22 ARG 61 -4.607 8.677 -0.543 467 H LEU 62 HN LEU 62 -1.102 1.096 -1.636 468 HA LEU 62 HA LEU 62 1.487 0.794 -0.259 469 HB2 LEU 62 HB2 LEU 62 1.196 -0.002 -3.116 470 HB3 LEU 62 HB1 LEU 62 2.328 -0.578 -1.909 471 HG LEU 62 HG LEU 62 0.899 -2.395 -2.331 472 HD11 LEU 62 HD11 LEU 62 0.835 -1.109 0.206 473 HD12 LEU 62 HD12 LEU 62 0.718 -2.829 -0.165 474 HD13 LEU 62 HD13 LEU 62 -0.742 -1.843 -0.085 475 HD21 LEU 62 HD21 LEU 62 -1.704 -1.395 -1.721 476 HD22 LEU 62 HD22 LEU 62 -1.121 -2.141 -3.209 477 HD23 LEU 62 HD23 LEU 62 -0.985 -0.397 -2.985 478 H ILE 63 HN ILE 63 2.505 2.654 -0.258 479 HA ILE 63 HA ILE 63 1.993 4.632 -2.329 480 HB ILE 63 HB ILE 63 3.859 4.978 -0.001 481 HG12 ILE 63 HG12 ILE 63 0.934 4.658 -0.004 482 HG13 ILE 63 HG11 ILE 63 2.079 4.508 1.321 483 HG21 ILE 63 HG21 ILE 63 3.606 6.606 -2.007 484 HG22 ILE 63 HG22 ILE 63 3.632 7.251 -0.365 485 HG23 ILE 63 HG23 ILE 63 2.099 7.068 -1.217 486 HD11 ILE 63 HD11 ILE 63 0.506 6.277 1.757 487 HD12 ILE 63 HD12 ILE 63 0.927 7.062 0.234 488 HD13 ILE 63 HD13 ILE 63 2.119 6.953 1.530 489 H GLY 64 HN GLY 64 3.106 4.272 -4.154 490 HA2 GLY 64 HA2 GLY 64 5.801 3.210 -4.090 491 HA3 GLY 64 HA1 GLY 64 4.863 3.595 -5.524 492 H LYS 65 HN LYS 65 7.587 4.217 -5.197 493 HA LYS 65 HA LYS 65 9.050 5.919 -5.542 494 HB2 LYS 65 HB2 LYS 65 6.870 6.572 -6.996 495 HB3 LYS 65 HB1 LYS 65 6.949 7.965 -5.925 496 HG2 LYS 65 HG2 LYS 65 8.139 8.479 -7.928 497 HG3 LYS 65 HG1 LYS 65 9.309 8.295 -6.620 498 HD2 LYS 65 HD2 LYS 65 10.221 6.422 -7.518 499 HD3 LYS 65 HD1 LYS 65 8.683 5.862 -8.177 500 HE2 LYS 65 HE2 LYS 65 8.839 7.517 -9.964 501 HE3 LYS 65 HE1 LYS 65 10.361 8.105 -9.297 502 HZ1 LYS 65 HZ1 LYS 65 11.139 6.675 -10.862 503 HZ2 LYS 65 HZ2 LYS 65 9.805 5.639 -10.769 504 HZ3 LYS 65 HZ3 LYS 65 11.001 5.585 -9.575 505 H VAL 66 HN VAL 66 9.825 8.000 -4.679 506 HA VAL 66 HA VAL 66 9.552 8.111 -1.878 507 HB VAL 66 HB VAL 66 10.871 10.223 -2.046 508 HG11 VAL 66 HG11 VAL 66 11.668 7.613 -3.163 509 HG12 VAL 66 HG12 VAL 66 12.362 8.541 -1.833 510 HG13 VAL 66 HG13 VAL 66 12.751 8.963 -3.501 511 HG21 VAL 66 HG21 VAL 66 9.771 10.467 -4.520 512 HG22 VAL 66 HG22 VAL 66 11.378 9.853 -4.913 513 HG23 VAL 66 HG23 VAL 66 11.206 11.334 -3.971 514 H ASP 67 HN ASP 67 9.265 10.487 -0.900 515 HA ASP 67 HA ASP 67 6.502 11.192 -1.493 516 HB2 ASP 67 HB2 ASP 67 8.178 11.197 0.855 517 HB3 ASP 67 HB1 ASP 67 7.454 12.786 0.627 518 H GLU 68 HN GLU 68 6.373 13.805 -0.699 519 HA GLU 68 HA GLU 68 7.789 15.148 -2.860 520 HB2 GLU 68 HB2 GLU 68 6.046 16.821 -2.804 521 HB3 GLU 68 HB1 GLU 68 5.319 15.223 -2.903 522 HG2 GLU 68 HG2 GLU 68 4.770 15.268 -0.566 523 HG3 GLU 68 HG1 GLU 68 5.631 16.792 -0.356 524 H SER 69 HN SER 69 7.448 15.058 0.563 525 HA SER 69 HA SER 69 8.226 17.595 1.334 526 HB2 SER 69 HB2 SER 69 7.503 15.999 2.985 527 HB3 SER 69 HB1 SER 69 8.852 14.927 2.608 528 HG SER 69 HG SER 69 9.748 15.969 4.212 529 H LYS 70 HN LYS 70 10.100 15.126 -0.158 530 HA LYS 70 HA LYS 70 12.634 16.303 0.549 531 HB2 LYS 70 HB2 LYS 70 13.554 14.498 -0.926 532 HB3 LYS 70 HB1 LYS 70 12.586 13.919 0.424 533 HG2 LYS 70 HG2 LYS 70 10.972 14.377 -1.931 534 HG3 LYS 70 HG1 LYS 70 12.289 13.241 -2.243 535 HD2 LYS 70 HD2 LYS 70 10.239 13.041 -0.035 536 HD3 LYS 70 HD1 LYS 70 10.296 12.058 -1.499 537 HE2 LYS 70 HE2 LYS 70 11.419 10.607 -0.200 538 HE3 LYS 70 HE1 LYS 70 12.791 11.664 -0.523 539 HZ1 LYS 70 HZ1 LYS 70 12.856 12.325 1.590 540 HZ2 LYS 70 HZ2 LYS 70 11.852 11.008 1.932 541 HZ3 LYS 70 HZ3 LYS 70 11.180 12.541 1.688 542 H LYS 71 HN LYS 71 10.383 17.394 -1.421 543 HA LYS 71 HA LYS 71 11.393 17.627 -3.974 544 HB2 LYS 71 HB2 LYS 71 9.951 19.472 -4.285 545 HB3 LYS 71 HB1 LYS 71 9.152 18.431 -3.117 546 HG2 LYS 71 HG2 LYS 71 10.767 20.303 -1.706 547 HG3 LYS 71 HG1 LYS 71 9.794 21.174 -2.891 548 HD2 LYS 71 HD2 LYS 71 8.765 19.236 -0.817 549 HD3 LYS 71 HD1 LYS 71 8.621 20.994 -0.760 550 HE2 LYS 71 HE2 LYS 71 7.614 19.815 -3.236 551 HE3 LYS 71 HE1 LYS 71 6.757 19.267 -1.796 552 HZ1 LYS 71 HZ1 LYS 71 6.456 21.626 -1.190 553 HZ2 LYS 71 HZ2 LYS 71 5.696 21.218 -2.645 554 HZ3 LYS 71 HZ3 LYS 71 7.152 22.078 -2.664 555 H ARG 72 HN ARG 72 11.780 20.219 -4.657 556 HA ARG 72 HA ARG 72 13.913 21.364 -3.071 557 HB2 ARG 72 HB2 ARG 72 15.502 21.365 -5.003 558 HB3 ARG 72 HB1 ARG 72 15.203 19.773 -4.320 559 HG2 ARG 72 HG2 ARG 72 13.763 20.811 -6.745 560 HG3 ARG 72 HG1 ARG 72 15.272 19.899 -6.829 561 HD2 ARG 72 HD2 ARG 72 13.942 18.214 -5.301 562 HD3 ARG 72 HD1 ARG 72 12.544 19.004 -6.030 563 HE ARG 72 HE ARG 72 13.025 17.957 -8.013 564 HH11 ARG 72 HH11 ARG 72 15.781 17.688 -5.888 565 HH12 ARG 72 HH12 ARG 72 16.623 16.579 -6.916 566 HH21 ARG 72 HH21 ARG 72 14.132 16.498 -9.366 567 HH22 ARG 72 HH22 ARG 72 15.688 15.903 -8.891 568 H LYS 73 HN LYS 73 14.001 23.530 -3.308 569 HA LYS 73 HA LYS 73 11.982 24.815 -4.854 570 HB2 LYS 73 HB2 LYS 73 14.266 25.850 -3.183 571 HB3 LYS 73 HB1 LYS 73 13.189 26.925 -4.066 572 HG2 LYS 73 HG2 LYS 73 12.523 26.705 -1.735 573 HG3 LYS 73 HG1 LYS 73 11.284 26.071 -2.821 574 HD2 LYS 73 HD2 LYS 73 11.858 23.832 -2.323 575 HD3 LYS 73 HD1 LYS 73 13.361 24.315 -1.534 576 HE2 LYS 73 HE2 LYS 73 12.324 24.874 0.402 577 HE3 LYS 73 HE1 LYS 73 10.867 25.437 -0.415 578 HZ1 LYS 73 HZ1 LYS 73 10.168 23.177 -0.730 579 HZ2 LYS 73 HZ2 LYS 73 10.511 23.414 0.909 580 HZ3 LYS 73 HZ3 LYS 73 11.610 22.582 -0.072 581 H ASP 74 HN ASP 74 12.378 26.519 -6.435 582 HA ASP 74 HA ASP 74 14.534 25.774 -8.236 583 HB2 ASP 74 HB2 ASP 74 11.846 26.248 -8.691 584 HB3 ASP 74 HB1 ASP 74 12.623 27.722 -9.263 585 H ASN 75 HN ASN 75 15.346 27.699 -9.621 586 HA ASN 75 HA ASN 75 16.710 29.466 -7.908 587 HB2 ASN 75 HB2 ASN 75 16.376 29.340 -10.892 588 HB3 ASN 75 HB1 ASN 75 17.285 30.639 -10.127 589 HD21 ASN 75 HD21 ASN 75 17.395 27.511 -11.331 590 HD22 ASN 75 HD22 ASN 75 18.954 27.062 -10.738 591 H GLU 76 HN GLU 76 13.808 29.767 -9.797 592 HA GLU 76 HA GLU 76 13.545 32.587 -9.263 593 HB2 GLU 76 HB2 GLU 76 12.091 30.586 -10.907 594 HB3 GLU 76 HB1 GLU 76 11.184 31.988 -10.356 595 HG2 GLU 76 HG2 GLU 76 13.829 32.408 -11.649 596 HG3 GLU 76 HG1 GLU 76 12.439 31.998 -12.653 597 H GLY 77 HN GLY 77 12.712 29.670 -7.741 598 HA2 GLY 77 HA2 GLY 77 11.938 29.873 -5.427 599 HA3 GLY 77 HA1 GLY 77 10.833 31.121 -5.983 600 H ASN 78 HN ASN 78 11.198 28.421 -8.064 601 HA ASN 78 HA ASN 78 8.463 27.618 -7.515 602 HB2 ASN 78 HB2 ASN 78 10.414 27.195 -9.717 603 HB3 ASN 78 HB1 ASN 78 9.202 25.941 -9.474 604 HD21 ASN 78 HD21 ASN 78 9.676 29.364 -10.088 605 HD22 ASN 78 HD22 ASN 78 8.144 29.631 -10.841 606 H GLU 79 HN GLU 79 8.283 25.020 -7.968 607 HA GLU 79 HA GLU 79 10.266 23.461 -6.614 608 HB2 GLU 79 HB2 GLU 79 8.727 22.733 -4.766 609 HB3 GLU 79 HB1 GLU 79 9.315 24.384 -4.626 610 HG2 GLU 79 HG2 GLU 79 6.782 24.140 -6.062 611 HG3 GLU 79 HG1 GLU 79 6.719 23.608 -4.383 612 H VAL 80 HN VAL 80 9.589 21.161 -6.413 613 HA VAL 80 HA VAL 80 7.464 20.468 -8.333 614 HB VAL 80 HB VAL 80 9.670 20.165 -9.393 615 HG11 VAL 80 HG11 VAL 80 11.052 19.738 -7.477 616 HG12 VAL 80 HG12 VAL 80 11.146 18.344 -8.555 617 HG13 VAL 80 HG13 VAL 80 10.152 18.268 -7.099 618 HG21 VAL 80 HG21 VAL 80 9.291 17.967 -10.242 619 HG22 VAL 80 HG22 VAL 80 7.713 18.670 -9.888 620 HG23 VAL 80 HG23 VAL 80 8.418 17.488 -8.786 621 H VAL 81 HN VAL 81 6.628 18.280 -8.084 622 HA VAL 81 HA VAL 81 7.008 17.132 -5.438 623 HB VAL 81 HB VAL 81 4.302 17.552 -6.705 624 HG11 VAL 81 HG11 VAL 81 5.136 15.685 -4.806 625 HG12 VAL 81 HG12 VAL 81 3.478 16.132 -5.205 626 HG13 VAL 81 HG13 VAL 81 4.317 16.947 -3.886 627 HG21 VAL 81 HG21 VAL 81 4.046 19.030 -4.589 628 HG22 VAL 81 HG22 VAL 81 4.882 19.680 -5.999 629 HG23 VAL 81 HG23 VAL 81 5.809 19.083 -4.623 630 HA PRO 82 HA PRO 82 7.836 13.872 -8.583 631 HB2 PRO 82 HB2 PRO 82 8.362 12.606 -5.916 632 HB3 PRO 82 HB1 PRO 82 9.263 12.443 -7.430 633 HG2 PRO 82 HG2 PRO 82 10.185 14.024 -5.528 634 HG3 PRO 82 HG1 PRO 82 10.236 14.556 -7.221 635 HD2 PRO 82 HD2 PRO 82 8.404 15.394 -5.023 636 HD3 PRO 82 HD1 PRO 82 9.064 16.348 -6.367 637 H LYS 83 HN LYS 83 5.547 13.801 -9.035 638 HA LYS 83 HA LYS 83 3.496 12.803 -7.556 639 HB2 LYS 83 HB2 LYS 83 4.017 12.163 -10.464 640 HB3 LYS 83 HB1 LYS 83 2.462 12.054 -9.651 641 HG2 LYS 83 HG2 LYS 83 2.126 14.113 -10.435 642 HG3 LYS 83 HG1 LYS 83 3.185 14.628 -9.121 643 HD2 LYS 83 HD2 LYS 83 5.038 14.019 -10.954 644 HD3 LYS 83 HD1 LYS 83 3.708 14.450 -12.030 645 HE2 LYS 83 HE2 LYS 83 3.587 16.482 -10.252 646 HE3 LYS 83 HE1 LYS 83 5.316 16.136 -10.228 647 HZ1 LYS 83 HZ1 LYS 83 3.941 16.397 -12.812 648 HZ2 LYS 83 HZ2 LYS 83 5.555 16.716 -12.418 649 HZ3 LYS 83 HZ3 LYS 83 4.341 17.796 -11.948 650 HA PRO 84 HA PRO 84 5.289 8.693 -6.745 651 HB2 PRO 84 HB2 PRO 84 3.332 8.648 -4.565 652 HB3 PRO 84 HB1 PRO 84 5.093 8.536 -4.490 653 HG2 PRO 84 HG2 PRO 84 3.776 10.712 -3.619 654 HG3 PRO 84 HG1 PRO 84 5.370 10.820 -4.391 655 HD2 PRO 84 HD2 PRO 84 2.658 11.319 -5.579 656 HD3 PRO 84 HD1 PRO 84 4.146 12.278 -5.738 657 H GLN 85 HN GLN 85 4.010 6.577 -6.052 658 HA GLN 85 HA GLN 85 1.550 6.446 -7.668 659 HB2 GLN 85 HB2 GLN 85 3.414 5.386 -8.853 660 HB3 GLN 85 HB1 GLN 85 3.733 4.364 -7.458 661 HG2 GLN 85 HG2 GLN 85 1.941 3.014 -7.859 662 HG3 GLN 85 HG1 GLN 85 1.019 4.287 -8.658 663 HE21 GLN 85 HE21 GLN 85 1.995 5.034 -10.769 664 HE22 GLN 85 HE22 GLN 85 2.595 3.804 -11.822 665 H ARG 86 HN ARG 86 0.263 6.670 -5.804 666 HA ARG 86 HA ARG 86 0.429 4.461 -3.867 667 HB2 ARG 86 HB2 ARG 86 -1.378 6.731 -3.301 668 HB3 ARG 86 HB1 ARG 86 -0.292 5.861 -2.228 669 HG2 ARG 86 HG2 ARG 86 1.605 7.100 -3.122 670 HG3 ARG 86 HG1 ARG 86 0.530 7.956 -4.229 671 HD2 ARG 86 HD2 ARG 86 -0.031 8.011 -1.298 672 HD3 ARG 86 HD1 ARG 86 1.237 9.044 -1.956 673 HE ARG 86 HE ARG 86 -1.253 9.246 -3.371 674 HH11 ARG 86 HH11 ARG 86 0.579 10.411 -0.638 675 HH12 ARG 86 HH12 ARG 86 -0.279 11.912 -0.544 676 HH21 ARG 86 HH21 ARG 86 -2.382 11.221 -3.249 677 HH22 ARG 86 HH22 ARG 86 -1.960 12.372 -2.026 678 H HIS 87 HN HIS 87 -1.330 3.169 -3.443 679 HA HIS 87 HA HIS 87 -3.843 3.715 -4.808 680 HB2 HIS 87 HB2 HIS 87 -3.845 1.252 -5.583 681 HB3 HIS 87 HB1 HIS 87 -2.930 2.424 -6.521 682 HD1 HIS 87 HD1 HIS 87 -2.582 -0.858 -5.754 683 HD2 HIS 87 HD2 HIS 87 -0.090 2.383 -5.016 684 HE1 HIS 87 HE1 HIS 87 -0.283 -1.831 -5.462 685 HE2 HIS 87 HE2 HIS 87 1.223 0.157 -5.108 686 H MET 88 HN MET 88 -5.627 2.752 -3.887 687 HA MET 88 HA MET 88 -5.155 1.546 -1.251 688 HB2 MET 88 HB2 MET 88 -6.517 3.623 -1.378 689 HB3 MET 88 HB1 MET 88 -7.689 2.769 -2.366 690 HG2 MET 88 HG2 MET 88 -8.248 1.310 -0.540 691 HG3 MET 88 HG1 MET 88 -6.960 1.989 0.451 692 HE1 MET 88 HE1 MET 88 -8.029 4.091 2.470 693 HE2 MET 88 HE2 MET 88 -8.209 2.346 2.330 694 HE3 MET 88 HE3 MET 88 -9.629 3.364 2.563 695 H PHE 89 HN PHE 89 -5.100 -0.590 -1.357 696 HA PHE 89 HA PHE 89 -6.785 -2.040 -3.251 697 HB2 PHE 89 HB2 PHE 89 -4.201 -2.424 -2.211 698 HB3 PHE 89 HB1 PHE 89 -5.176 -3.704 -1.507 699 HD1 PHE 89 HD2 PHE 89 -6.979 -4.554 -3.494 700 HD2 PHE 89 HD1 PHE 89 -2.981 -3.183 -3.981 701 HE1 PHE 89 HE2 PHE 89 -6.799 -5.831 -5.590 702 HE2 PHE 89 HE1 PHE 89 -2.796 -4.455 -6.077 703 HZ PHE 89 HZ PHE 89 -4.708 -5.778 -6.880 704 H SER 90 HN SER 90 -8.743 -2.750 -2.625 705 HA SER 90 HA SER 90 -9.169 -3.212 0.252 706 HB2 SER 90 HB2 SER 90 -11.051 -2.124 -1.838 707 HB3 SER 90 HB1 SER 90 -11.584 -2.654 -0.243 708 HG SER 90 HG SER 90 -10.325 -0.352 -0.980 709 H PHE 91 HN PHE 91 -10.207 -4.988 0.930 710 HA PHE 91 HA PHE 91 -11.221 -6.857 -1.072 711 HB2 PHE 91 HB2 PHE 91 -9.953 -8.428 0.920 712 HB3 PHE 91 HB1 PHE 91 -9.564 -8.304 -0.792 713 HD1 PHE 91 HD2 PHE 91 -8.208 -6.011 -1.334 714 HD2 PHE 91 HD1 PHE 91 -8.173 -8.122 2.363 715 HE1 PHE 91 HE2 PHE 91 -6.026 -5.034 -0.799 716 HE2 PHE 91 HE1 PHE 91 -5.977 -7.144 2.889 717 HZ PHE 91 HZ PHE 91 -4.904 -5.600 1.308 718 H ASN 92 HN ASN 92 -12.389 -8.742 0.089 719 HA ASN 92 HA ASN 92 -14.084 -7.502 2.129 720 HB2 ASN 92 HB2 ASN 92 -14.548 -9.850 0.290 721 HB3 ASN 92 HB1 ASN 92 -15.680 -9.353 1.544 722 HD21 ASN 92 HD21 ASN 92 -14.736 -8.959 -1.641 723 HD22 ASN 92 HD22 ASN 92 -15.665 -7.551 -2.015 724 H ASN 93 HN ASN 93 -11.450 -8.806 2.737 725 HA ASN 93 HA ASN 93 -12.507 -10.710 4.706 726 HB2 ASN 93 HB2 ASN 93 -10.230 -11.057 2.809 727 HB3 ASN 93 HB1 ASN 93 -10.113 -11.787 4.407 728 HD21 ASN 93 HD21 ASN 93 -10.139 -13.279 2.078 729 HD22 ASN 93 HD22 ASN 93 -11.594 -14.208 2.023 730 H ARG 94 HN ARG 94 -12.465 -9.344 6.426 731 HA ARG 94 HA ARG 94 -10.437 -7.511 7.041 732 HB2 ARG 94 HB2 ARG 94 -12.696 -7.494 8.055 733 HB3 ARG 94 HB1 ARG 94 -12.283 -8.945 8.958 734 HG2 ARG 94 HG2 ARG 94 -10.346 -7.566 9.913 735 HG3 ARG 94 HG1 ARG 94 -11.217 -6.166 9.283 736 HD2 ARG 94 HD2 ARG 94 -12.918 -6.375 10.786 737 HD3 ARG 94 HD1 ARG 94 -12.754 -8.127 10.892 738 HE ARG 94 HE ARG 94 -11.440 -6.160 12.522 739 HH11 ARG 94 HH11 ARG 94 -11.281 -9.422 11.294 740 HH12 ARG 94 HH12 ARG 94 -10.276 -9.992 12.584 741 HH21 ARG 94 HH21 ARG 94 -10.118 -6.907 14.219 742 HH22 ARG 94 HH22 ARG 94 -9.615 -8.564 14.245 743 H THR 95 HN THR 95 -10.604 -10.937 7.429 744 HA THR 95 HA THR 95 -8.491 -11.061 9.396 745 HB THR 95 HB THR 95 -10.531 -12.778 8.573 746 HG1 THR 95 HG1 THR 95 -10.058 -13.201 10.558 747 HG21 THR 95 HG21 THR 95 -9.409 -14.894 8.104 748 HG22 THR 95 HG22 THR 95 -7.876 -14.040 7.933 749 HG23 THR 95 HG23 THR 95 -9.189 -13.729 6.798 750 H VAL 96 HN VAL 96 -8.885 -11.886 5.969 751 HA VAL 96 HA VAL 96 -6.286 -12.783 5.487 752 HB VAL 96 HB VAL 96 -8.487 -12.709 3.973 753 HG11 VAL 96 HG11 VAL 96 -8.302 -10.244 3.657 754 HG12 VAL 96 HG12 VAL 96 -8.345 -11.169 2.156 755 HG13 VAL 96 HG13 VAL 96 -6.816 -10.523 2.751 756 HG21 VAL 96 HG21 VAL 96 -6.192 -13.898 3.715 757 HG22 VAL 96 HG22 VAL 96 -5.870 -12.627 2.535 758 HG23 VAL 96 HG23 VAL 96 -7.241 -13.714 2.310 759 H MET 97 HN MET 97 -7.656 -9.540 5.406 760 HA MET 97 HA MET 97 -5.391 -8.264 4.293 761 HB2 MET 97 HB2 MET 97 -6.470 -6.179 5.215 762 HB3 MET 97 HB1 MET 97 -7.468 -7.141 4.144 763 HG2 MET 97 HG2 MET 97 -9.033 -7.310 5.675 764 HG3 MET 97 HG1 MET 97 -7.897 -8.007 6.817 765 HE1 MET 97 HE1 MET 97 -6.291 -4.319 7.689 766 HE2 MET 97 HE2 MET 97 -5.837 -5.736 6.747 767 HE3 MET 97 HE3 MET 97 -6.198 -5.899 8.464 768 H ASP 98 HN ASP 98 -6.547 -8.348 7.656 769 HA ASP 98 HA ASP 98 -4.548 -6.912 8.863 770 HB2 ASP 98 HB2 ASP 98 -6.509 -8.916 9.725 771 HB3 ASP 98 HB1 ASP 98 -5.094 -8.800 10.767 772 H ASN 99 HN ASN 99 -4.307 -10.091 7.515 773 HA ASN 99 HA ASN 99 -1.943 -10.782 9.034 774 HB2 ASN 99 HB2 ASN 99 -3.598 -12.137 6.946 775 HB3 ASN 99 HB1 ASN 99 -1.961 -12.714 7.246 776 HD21 ASN 99 HD21 ASN 99 -4.011 -14.393 7.683 777 HD22 ASN 99 HD22 ASN 99 -4.246 -14.643 9.376 778 H ILE 100 HN ILE 100 -2.585 -10.388 5.539 779 HA ILE 100 HA ILE 100 0.138 -10.385 4.816 780 HB ILE 100 HB ILE 100 -1.800 -10.861 3.288 781 HG12 ILE 100 HG12 ILE 100 0.383 -8.936 2.497 782 HG13 ILE 100 HG11 ILE 100 0.348 -10.685 2.295 783 HG21 ILE 100 HG21 ILE 100 -2.094 -8.140 2.371 784 HG22 ILE 100 HG22 ILE 100 -2.620 -8.318 4.045 785 HG23 ILE 100 HG23 ILE 100 -3.326 -9.330 2.786 786 HD11 ILE 100 HD11 ILE 100 -1.367 -8.697 0.823 787 HD12 ILE 100 HD12 ILE 100 -1.420 -10.450 0.624 788 HD13 ILE 100 HD13 ILE 100 0.032 -9.555 0.175 789 H LYS 101 HN LYS 101 -1.838 -7.891 6.132 790 HA LYS 101 HA LYS 101 -0.466 -5.662 5.041 791 HB2 LYS 101 HB2 LYS 101 -1.716 -4.347 6.565 792 HB3 LYS 101 HB1 LYS 101 -2.762 -5.665 6.074 793 HG2 LYS 101 HG2 LYS 101 -3.009 -6.376 8.145 794 HG3 LYS 101 HG1 LYS 101 -1.282 -6.317 8.468 795 HD2 LYS 101 HD2 LYS 101 -3.184 -3.979 8.571 796 HD3 LYS 101 HD1 LYS 101 -2.512 -4.829 9.964 797 HE2 LYS 101 HE2 LYS 101 -0.543 -3.838 8.017 798 HE3 LYS 101 HE1 LYS 101 -1.442 -2.587 8.881 799 HZ1 LYS 101 HZ1 LYS 101 0.733 -4.041 9.796 800 HZ2 LYS 101 HZ2 LYS 101 -0.596 -4.592 10.686 801 HZ3 LYS 101 HZ3 LYS 101 -0.213 -2.945 10.672 802 H MET 102 HN MET 102 -0.019 -7.656 7.860 803 HA MET 102 HA MET 102 1.902 -6.001 9.148 804 HB2 MET 102 HB2 MET 102 0.918 -8.790 9.479 805 HB3 MET 102 HB1 MET 102 2.467 -8.384 10.206 806 HG2 MET 102 HG2 MET 102 1.541 -7.058 11.778 807 HG3 MET 102 HG1 MET 102 0.252 -6.504 10.712 808 HE1 MET 102 HE1 MET 102 0.585 -10.426 12.917 809 HE2 MET 102 HE2 MET 102 1.703 -9.733 11.742 810 HE3 MET 102 HE3 MET 102 0.337 -10.704 11.193 811 H THR 103 HN THR 103 2.134 -8.759 6.948 812 HA THR 103 HA THR 103 4.885 -9.175 7.058 813 HB THR 103 HB THR 103 3.256 -9.454 4.538 814 HG1 THR 103 HG1 THR 103 3.338 -11.228 6.748 815 HG21 THR 103 HG21 THR 103 5.840 -10.405 5.403 816 HG22 THR 103 HG22 THR 103 5.098 -10.436 3.803 817 HG23 THR 103 HG23 THR 103 4.766 -11.730 4.954 818 H LEU 104 HN LEU 104 3.006 -6.919 5.087 819 HA LEU 104 HA LEU 104 5.347 -5.940 3.716 820 HB2 LEU 104 HB2 LEU 104 2.440 -5.215 3.707 821 HB3 LEU 104 HB1 LEU 104 3.621 -4.167 2.945 822 HG LEU 104 HG LEU 104 4.218 -6.667 1.911 823 HD11 LEU 104 HD11 LEU 104 2.229 -7.677 2.746 824 HD12 LEU 104 HD12 LEU 104 2.015 -7.420 1.014 825 HD13 LEU 104 HD13 LEU 104 1.238 -6.337 2.169 826 HD21 LEU 104 HD21 LEU 104 3.813 -4.202 0.955 827 HD22 LEU 104 HD22 LEU 104 2.323 -4.970 0.407 828 HD23 LEU 104 HD23 LEU 104 3.884 -5.632 -0.074 829 H GLN 105 HN GLN 105 3.085 -4.675 6.148 830 HA GLN 105 HA GLN 105 4.031 -2.133 6.493 831 HB2 GLN 105 HB2 GLN 105 2.102 -3.214 7.695 832 HB3 GLN 105 HB1 GLN 105 3.273 -3.953 8.779 833 HG2 GLN 105 HG2 GLN 105 4.014 -1.765 9.513 834 HG3 GLN 105 HG1 GLN 105 2.905 -0.992 8.381 835 HE21 GLN 105 HE21 GLN 105 1.023 -0.387 9.165 836 HE22 GLN 105 HE22 GLN 105 0.266 -1.004 10.590 837 H GLN 106 HN GLN 106 5.357 -5.101 7.895 838 HA GLN 106 HA GLN 106 7.374 -3.807 9.416 839 HB2 GLN 106 HB2 GLN 106 8.320 -6.031 9.710 840 HB3 GLN 106 HB1 GLN 106 6.575 -6.080 9.919 841 HG2 GLN 106 HG2 GLN 106 6.302 -6.994 7.696 842 HG3 GLN 106 HG1 GLN 106 8.037 -6.870 7.410 843 HE21 GLN 106 HE21 GLN 106 7.686 -9.194 6.931 844 HE22 GLN 106 HE22 GLN 106 7.803 -10.313 8.242 845 H ILE 107 HN ILE 107 7.295 -5.226 6.177 846 HA ILE 107 HA ILE 107 10.017 -5.124 5.615 847 HB ILE 107 HB ILE 107 7.558 -5.513 4.126 848 HG12 ILE 107 HG12 ILE 107 10.399 -6.407 3.637 849 HG13 ILE 107 HG11 ILE 107 9.239 -7.223 4.683 850 HG21 ILE 107 HG21 ILE 107 8.590 -4.974 1.890 851 HG22 ILE 107 HG22 ILE 107 9.770 -3.998 2.764 852 HG23 ILE 107 HG23 ILE 107 8.055 -3.594 2.846 853 HD11 ILE 107 HD11 ILE 107 8.483 -6.744 1.853 854 HD12 ILE 107 HD12 ILE 107 8.045 -8.066 2.934 855 HD13 ILE 107 HD13 ILE 107 9.653 -8.012 2.213 856 H ILE 108 HN ILE 108 7.519 -2.730 4.690 857 HA ILE 108 HA ILE 108 9.206 -0.857 3.561 858 HB ILE 108 HB ILE 108 6.910 0.045 5.269 859 HG12 ILE 108 HG12 ILE 108 5.983 -1.831 4.089 860 HG13 ILE 108 HG11 ILE 108 5.440 -0.369 3.276 861 HG21 ILE 108 HG21 ILE 108 7.212 1.126 2.587 862 HG22 ILE 108 HG22 ILE 108 8.652 1.347 3.583 863 HG23 ILE 108 HG23 ILE 108 7.092 1.956 4.139 864 HD11 ILE 108 HD11 ILE 108 7.909 -1.436 2.168 865 HD12 ILE 108 HD12 ILE 108 6.419 -0.944 1.365 866 HD13 ILE 108 HD13 ILE 108 6.550 -2.555 2.069 867 H SER 109 HN SER 109 8.713 -1.629 6.887 868 HA SER 109 HA SER 109 9.917 0.745 7.941 869 HB2 SER 109 HB2 SER 109 8.290 -1.059 9.039 870 HB3 SER 109 HB1 SER 109 9.825 -1.770 9.540 871 HG SER 109 HG SER 109 9.811 -0.331 11.060 872 H ARG 110 HN ARG 110 11.037 -2.335 6.807 873 HA ARG 110 HA ARG 110 13.695 -1.885 7.936 874 HB2 ARG 110 HB2 ARG 110 14.133 -4.139 7.619 875 HB3 ARG 110 HB1 ARG 110 12.410 -4.149 7.960 876 HG2 ARG 110 HG2 ARG 110 11.889 -4.419 5.635 877 HG3 ARG 110 HG1 ARG 110 13.584 -4.219 5.188 878 HD2 ARG 110 HD2 ARG 110 14.171 -6.264 6.316 879 HD3 ARG 110 HD1 ARG 110 12.530 -6.435 6.938 880 HE ARG 110 HE ARG 110 12.534 -6.311 4.104 881 HH11 ARG 110 HH11 ARG 110 13.234 -8.449 6.772 882 HH12 ARG 110 HH12 ARG 110 12.916 -9.889 5.864 883 HH21 ARG 110 HH21 ARG 110 12.115 -8.203 2.908 884 HH22 ARG 110 HH22 ARG 110 12.282 -9.750 3.670 885 H TYR 111 HN TYR 111 12.013 -2.165 4.844 886 HA TYR 111 HA TYR 111 14.311 -2.019 3.204 887 HB2 TYR 111 HB2 TYR 111 11.415 -1.954 2.851 888 HB3 TYR 111 HB1 TYR 111 12.250 -0.897 1.718 889 HD1 TYR 111 HD2 TYR 111 13.798 -3.975 3.000 890 HD2 TYR 111 HD1 TYR 111 11.646 -2.207 -0.216 891 HE1 TYR 111 HE2 TYR 111 14.330 -5.914 1.586 892 HE2 TYR 111 HE1 TYR 111 12.171 -4.143 -1.639 893 HH TYR 111 HH TYR 111 13.625 -7.022 -0.367 894 H LYS 112 HN LYS 112 12.258 0.408 4.686 895 HA LYS 112 HA LYS 112 13.073 2.671 3.289 896 HB2 LYS 112 HB2 LYS 112 12.004 2.154 6.031 897 HB3 LYS 112 HB1 LYS 112 12.590 3.765 5.638 898 HG2 LYS 112 HG2 LYS 112 10.707 2.500 3.739 899 HG3 LYS 112 HG1 LYS 112 10.068 3.043 5.294 900 HD2 LYS 112 HD2 LYS 112 9.854 4.822 3.689 901 HD3 LYS 112 HD1 LYS 112 11.079 5.257 4.881 902 HE2 LYS 112 HE2 LYS 112 12.843 4.644 3.347 903 HE3 LYS 112 HE1 LYS 112 11.658 4.086 2.166 904 HZ1 LYS 112 HZ1 LYS 112 10.984 6.244 1.707 905 HZ2 LYS 112 HZ2 LYS 112 12.659 6.405 1.876 906 HZ3 LYS 112 HZ3 LYS 112 11.634 6.874 3.137 907 H ASP 113 HN ASP 113 14.340 1.352 6.324 908 HA ASP 113 HA ASP 113 16.472 3.203 6.522 909 HB2 ASP 113 HB2 ASP 113 15.296 1.352 8.207 910 HB3 ASP 113 HB1 ASP 113 16.910 0.700 7.940 911 H ALA 114 HN ALA 114 16.102 0.802 4.330 912 HA ALA 114 HA ALA 114 18.997 0.297 4.191 913 HB1 ALA 114 HB1 ALA 114 18.619 -1.859 3.684 914 HB2 ALA 114 HB2 ALA 114 17.187 -1.492 2.722 915 HB3 ALA 114 HB3 ALA 114 17.075 -1.556 4.481 916 H ASP 115 HN ASP 115 16.134 1.283 2.444 917 HA ASP 115 HA ASP 115 17.085 1.195 -0.174 918 HB2 ASP 115 HB2 ASP 115 14.759 2.026 1.056 919 HB3 ASP 115 HB1 ASP 115 15.404 3.525 0.395 920 H2 PRO 59 HT1 PRO 59 -28.527 -4.232 1.279 921 H3 PRO 59 HT2 PRO 59 -28.443 -5.456 0.182 922 HA PRO 59 HA PRO 59 -28.829 -4.252 -1.472 923 HB2 PRO 59 HB2 PRO 59 -30.520 -2.130 -0.649 924 HB3 PRO 59 HB1 PRO 59 -30.955 -3.540 -1.624 925 HG2 PRO 59 HG2 PRO 59 -31.250 -3.096 1.298 926 HG3 PRO 59 HG1 PRO 59 -32.259 -4.048 0.195 927 HD2 PRO 59 HD2 PRO 59 -30.614 -5.253 1.914 928 HD3 PRO 59 HD1 PRO 59 -30.821 -5.885 0.269 929 H GLY 60 HN GLY 60 -26.772 -3.447 -1.525 930 HA2 GLY 60 HA2 GLY 60 -26.083 -0.905 -1.579 931 HA3 GLY 60 HA1 GLY 60 -26.095 -1.154 0.160 932 H GLU 61 HN GLU 61 -24.082 -0.907 -2.336 933 HA GLU 61 HA GLU 61 -21.973 -2.325 -0.955 934 HB2 GLU 61 HB2 GLU 61 -23.004 -4.020 -2.490 935 HB3 GLU 61 HB1 GLU 61 -22.552 -2.993 -3.844 936 HG2 GLU 61 HG2 GLU 61 -20.418 -3.650 -3.789 937 HG3 GLU 61 HG1 GLU 61 -20.347 -3.605 -2.028 938 H GLU 62 HN GLU 62 -21.053 -0.292 -0.668 939 HA GLU 62 HA GLU 62 -19.265 0.571 -2.650 940 HB2 GLU 62 HB2 GLU 62 -21.546 1.417 -3.523 941 HB3 GLU 62 HB1 GLU 62 -21.445 2.597 -2.224 942 HG2 GLU 62 HG2 GLU 62 -19.481 3.562 -3.135 943 HG3 GLU 62 HG1 GLU 62 -19.295 2.245 -4.292 944 H GLU 63 HN GLU 63 -17.740 1.961 -1.823 945 HA GLU 63 HA GLU 63 -18.113 2.700 0.999 946 HB2 GLU 63 HB2 GLU 63 -15.521 2.922 0.856 947 HB3 GLU 63 HB1 GLU 63 -16.253 1.331 0.979 948 HG2 GLU 63 HG2 GLU 63 -16.017 1.018 -1.421 949 HG3 GLU 63 HG1 GLU 63 -15.326 2.633 -1.570 950 H ASP 64 HN ASP 64 -19.177 4.316 -1.067 951 HA ASP 64 HA ASP 64 -17.353 6.591 -1.245 952 HB2 ASP 64 HB2 ASP 64 -19.818 5.743 -2.683 953 HB3 ASP 64 HB1 ASP 64 -19.511 7.472 -2.555 954 H ASP 65 HN ASP 65 -18.391 5.890 1.330 955 HA ASP 65 HA ASP 65 -19.367 8.440 2.123 956 HB2 ASP 65 HB2 ASP 65 -21.410 7.058 1.211 957 HB3 ASP 65 HB1 ASP 65 -21.309 6.260 2.778 958 H GLU 66 HN GLU 66 -17.201 7.693 3.092 959 HA GLU 66 HA GLU 66 -15.951 6.911 4.841 960 HB2 GLU 66 HB2 GLU 66 -16.770 7.614 7.016 961 HB3 GLU 66 HB1 GLU 66 -17.122 8.846 5.813 962 HG2 GLU 66 HG2 GLU 66 -19.400 8.373 5.814 963 HG3 GLU 66 HG1 GLU 66 -19.167 6.794 6.564 964 H ARG 67 HN ARG 67 -17.124 4.769 3.594 965 HA ARG 67 HA ARG 67 -17.391 2.933 5.813 966 HB2 ARG 67 HB2 ARG 67 -19.445 3.155 3.610 967 HB3 ARG 67 HB1 ARG 67 -19.338 1.794 4.717 968 HG2 ARG 67 HG2 ARG 67 -19.631 4.574 5.773 969 HG3 ARG 67 HG1 ARG 67 -21.034 3.687 5.181 970 HD2 ARG 67 HD2 ARG 67 -19.529 1.964 6.872 971 HD3 ARG 67 HD1 ARG 67 -19.758 3.499 7.707 972 HE ARG 67 HE ARG 67 -22.173 2.532 6.528 973 HH11 ARG 67 HH11 ARG 67 -20.073 2.216 9.297 974 HH12 ARG 67 HH12 ARG 67 -21.332 1.655 10.345 975 HH21 ARG 67 HH21 ARG 67 -23.831 1.795 7.904 976 HH22 ARG 67 HH22 ARG 67 -23.466 1.415 9.554 977 H GLY 68 HN GLY 68 -15.278 2.344 5.109 978 HA2 GLY 68 HA2 GLY 68 -14.272 0.366 4.149 979 HA3 GLY 68 HA1 GLY 68 -15.337 0.559 2.762 980 H ALA 69 HN ALA 69 -14.564 3.605 3.263 981 HA ALA 69 HA ALA 69 -11.906 3.534 2.036 982 HB1 ALA 69 HB1 ALA 69 -12.518 4.965 0.229 983 HB2 ALA 69 HB2 ALA 69 -14.146 5.178 0.872 984 HB3 ALA 69 HB3 ALA 69 -13.648 3.611 0.234 985 H ASP 70 HN ASP 70 -12.163 4.163 4.594 986 HA ASP 70 HA ASP 70 -11.542 6.992 4.652 987 HB2 ASP 70 HB2 ASP 70 -14.049 6.611 5.150 988 HB3 ASP 70 HB1 ASP 70 -13.492 5.958 6.686 989 H ALA 71 HN ALA 71 -12.304 4.551 7.073 990 HA ALA 71 HA ALA 71 -10.209 5.167 8.825 991 HB1 ALA 71 HB1 ALA 71 -12.322 3.709 9.168 992 HB2 ALA 71 HB2 ALA 71 -10.848 3.290 10.043 993 HB3 ALA 71 HB3 ALA 71 -11.300 2.396 8.586 994 H THR 72 HN THR 72 -8.311 5.386 7.565 995 HA THR 72 HA THR 72 -6.819 2.971 7.308 996 HB THR 72 HB THR 72 -6.766 4.241 4.703 997 HG1 THR 72 HG1 THR 72 -8.873 4.554 4.744 998 HG21 THR 72 HG21 THR 72 -5.773 2.071 5.070 999 HG22 THR 72 HG22 THR 72 -7.090 1.953 3.904 1000 HG23 THR 72 HG23 THR 72 -7.335 1.422 5.567 1001 H TRP 73 HN TRP 73 -6.672 6.005 5.523 1002 HA TRP 73 HA TRP 73 -3.913 6.354 5.983 1003 HB2 TRP 73 HB2 TRP 73 -5.776 8.627 5.338 1004 HB3 TRP 73 HB1 TRP 73 -4.098 8.416 4.856 1005 HD1 TRP 73 HD1 TRP 73 -6.282 9.055 2.714 1006 HE1 TRP 73 HE1 TRP 73 -6.780 7.406 0.806 1007 HE3 TRP 73 HE3 TRP 73 -4.482 4.794 4.844 1008 HZ2 TRP 73 HZ2 TRP 73 -6.445 4.654 0.280 1009 HZ3 TRP 73 HZ3 TRP 73 -4.598 2.695 3.584 1010 HH2 TRP 73 HH2 TRP 73 -5.568 2.621 1.356 1011 H ASP 74 HN ASP 74 -3.921 5.965 8.302 1012 HA ASP 74 HA ASP 74 -3.540 8.296 9.791 1013 HB2 ASP 74 HB2 ASP 74 -6.163 8.050 9.564 1014 HB3 ASP 74 HB1 ASP 74 -5.948 6.880 10.861 1015 H LEU 75 HN LEU 75 -4.230 4.891 9.736 1016 HA LEU 75 HA LEU 75 -2.891 4.431 12.259 1017 HB2 LEU 75 HB2 LEU 75 -3.695 2.303 12.257 1018 HB3 LEU 75 HB1 LEU 75 -4.999 3.338 11.711 1019 HG LEU 75 HG LEU 75 -3.355 2.185 9.564 1020 HD11 LEU 75 HD11 LEU 75 -3.766 0.018 9.949 1021 HD12 LEU 75 HD12 LEU 75 -5.309 0.342 10.742 1022 HD13 LEU 75 HD13 LEU 75 -3.794 0.571 11.625 1023 HD21 LEU 75 HD21 LEU 75 -5.238 2.601 8.431 1024 HD22 LEU 75 HD22 LEU 75 -5.744 3.489 9.869 1025 HD23 LEU 75 HD23 LEU 75 -6.238 1.810 9.646 1026 H ASP 76 HN ASP 76 -1.446 5.323 9.804 1027 HA ASP 76 HA ASP 76 0.705 3.397 10.006 1028 HB2 ASP 76 HB2 ASP 76 -1.098 3.125 7.908 1029 HB3 ASP 76 HB1 ASP 76 0.253 4.001 7.193 1030 H LEU 77 HN LEU 77 2.213 4.322 7.817 1031 HA LEU 77 HA LEU 77 3.682 5.952 7.238 1032 HB2 LEU 77 HB2 LEU 77 1.201 7.472 7.845 1033 HB3 LEU 77 HB1 LEU 77 2.692 8.386 7.707 1034 HG LEU 77 HG LEU 77 2.720 6.742 5.469 1035 HD11 LEU 77 HD11 LEU 77 0.667 6.454 4.619 1036 HD12 LEU 77 HD12 LEU 77 0.086 8.006 5.221 1037 HD13 LEU 77 HD13 LEU 77 0.141 6.609 6.295 1038 HD21 LEU 77 HD21 LEU 77 2.295 9.598 6.072 1039 HD22 LEU 77 HD22 LEU 77 1.811 9.062 4.463 1040 HD23 LEU 77 HD23 LEU 77 3.471 8.822 5.011 1041 H LEU 78 HN LEU 78 4.807 5.024 9.178 1042 HA LEU 78 HA LEU 78 5.981 7.072 10.687 1043 HB2 LEU 78 HB2 LEU 78 5.170 6.152 12.961 1044 HB3 LEU 78 HB1 LEU 78 4.152 7.278 12.084 1045 HG LEU 78 HG LEU 78 2.995 5.147 11.155 1046 HD11 LEU 78 HD11 LEU 78 4.506 3.474 11.904 1047 HD12 LEU 78 HD12 LEU 78 3.029 3.303 12.853 1048 HD13 LEU 78 HD13 LEU 78 4.448 4.074 13.562 1049 HD21 LEU 78 HD21 LEU 78 2.355 6.906 13.077 1050 HD22 LEU 78 HD22 LEU 78 2.399 5.424 14.033 1051 HD23 LEU 78 HD23 LEU 78 1.332 5.539 12.633 1052 H LEU 79 HN LEU 79 7.259 5.328 9.255 1053 HA LEU 79 HA LEU 79 8.132 3.145 11.015 1054 HB2 LEU 79 HB2 LEU 79 8.918 3.454 8.134 1055 HB3 LEU 79 HB1 LEU 79 8.898 2.000 9.114 1056 HG LEU 79 HG LEU 79 6.273 2.587 9.155 1057 HD11 LEU 79 HD11 LEU 79 5.499 3.774 7.408 1058 HD12 LEU 79 HD12 LEU 79 6.755 3.191 6.317 1059 HD13 LEU 79 HD13 LEU 79 7.105 4.500 7.445 1060 HD21 LEU 79 HD21 LEU 79 6.101 1.013 7.175 1061 HD22 LEU 79 HD22 LEU 79 7.030 0.436 8.558 1062 HD23 LEU 79 HD23 LEU 79 7.863 1.040 7.126 1063 H THR 80 HN THR 80 10.645 2.707 9.835 1064 HA THR 80 HA THR 80 12.353 4.194 11.369 1065 HB THR 80 HB THR 80 13.132 2.201 10.297 1066 HG1 THR 80 HG1 THR 80 14.529 4.360 9.110 1067 HG21 THR 80 HG21 THR 80 13.091 3.550 7.623 1068 HG22 THR 80 HG22 THR 80 11.763 2.537 8.190 1069 HG23 THR 80 HG23 THR 80 13.377 1.851 7.999 1070 H ASN 81 HN ASN 81 12.079 6.381 11.423 1071 HA ASN 81 HA ASN 81 13.184 7.874 9.212 1072 HB2 ASN 81 HB2 ASN 81 10.288 8.077 9.987 1073 HB3 ASN 81 HB1 ASN 81 11.135 9.469 9.319 1074 HD21 ASN 81 HD21 ASN 81 9.241 6.913 8.564 1075 HD22 ASN 81 HD22 ASN 81 9.646 6.728 6.894 1076 H PHE 82 HN PHE 82 11.483 8.061 12.323 1077 HA PHE 82 HA PHE 82 13.525 9.952 13.243 1078 HB2 PHE 82 HB2 PHE 82 10.537 10.325 13.467 1079 HB3 PHE 82 HB1 PHE 82 11.693 11.218 14.449 1080 HD1 PHE 82 HD1 PHE 82 13.346 12.720 13.314 1081 HD2 PHE 82 HD2 PHE 82 10.056 10.968 11.261 1082 HE1 PHE 82 HE1 PHE 82 13.582 14.388 11.521 1083 HE2 PHE 82 HE2 PHE 82 10.287 12.632 9.463 1084 HZ PHE 82 HZ PHE 82 12.052 14.345 9.592 1085 H SER 83 HN SER 83 13.116 7.106 13.690 1086 HA SER 83 HA SER 83 13.579 6.999 16.455 1087 HB2 SER 83 HB2 SER 83 10.764 6.557 15.574 1088 HB3 SER 83 HB1 SER 83 11.408 5.498 16.829 1089 HG SER 83 HG SER 83 10.609 7.202 17.923 1090 H GLY 84 HN GLY 84 14.733 5.995 14.070 1091 HA2 GLY 84 HA2 GLY 84 14.139 3.238 13.697 1092 HA3 GLY 84 HA1 GLY 84 15.585 4.068 13.143 1093 HA PRO 85 HA PRO 85 17.912 1.872 16.173 1094 HB2 PRO 85 HB2 PRO 85 19.890 3.637 16.753 1095 HB3 PRO 85 HB1 PRO 85 19.810 2.755 15.224 1096 HG2 PRO 85 HG2 PRO 85 18.966 5.561 15.838 1097 HG3 PRO 85 HG1 PRO 85 19.851 4.942 14.432 1098 HD2 PRO 85 HD2 PRO 85 17.198 5.479 14.362 1099 HD3 PRO 85 HD1 PRO 85 17.934 4.179 13.403 Start of MODEL 6 1 H2 PRO 1 HT1 PRO 1 -1.663 -17.442 5.190 2 H3 PRO 1 HT2 PRO 1 -2.935 -18.150 4.425 3 HA PRO 1 HA PRO 1 -3.164 -16.200 3.698 4 HB2 PRO 1 HB2 PRO 1 -4.769 -15.097 5.657 5 HB3 PRO 1 HB1 PRO 1 -5.292 -16.309 4.481 6 HG2 PRO 1 HG2 PRO 1 -4.999 -16.645 7.296 7 HG3 PRO 1 HG1 PRO 1 -5.414 -17.881 6.099 8 HD2 PRO 1 HD2 PRO 1 -2.763 -17.229 7.310 9 HD3 PRO 1 HD1 PRO 1 -3.400 -18.793 6.764 10 H SER 2 HN SER 2 -0.676 -16.181 5.140 11 HA SER 2 HA SER 2 -0.636 -13.644 6.568 12 HB2 SER 2 HB2 SER 2 1.307 -15.896 6.210 13 HB3 SER 2 HB1 SER 2 1.908 -14.307 6.684 14 HG SER 2 HG SER 2 1.383 -15.666 8.479 15 H HIS 3 HN HIS 3 0.240 -14.997 3.491 16 HA HIS 3 HA HIS 3 1.324 -12.383 2.680 17 HB2 HIS 3 HB2 HIS 3 2.060 -15.066 1.502 18 HB3 HIS 3 HB1 HIS 3 2.774 -13.509 1.101 19 HD1 HIS 3 HD1 HIS 3 2.283 -15.433 4.359 20 HD2 HIS 3 HD2 HIS 3 5.190 -13.312 2.281 21 HE1 HIS 3 HE1 HIS 3 4.332 -15.497 5.815 22 HE2 HIS 3 HE2 HIS 3 6.051 -14.133 4.576 23 H SER 4 HN SER 4 -0.655 -15.120 1.802 24 HA SER 4 HA SER 4 -1.489 -13.808 -0.659 25 HB2 SER 4 HB2 SER 4 -2.755 -15.843 -1.126 26 HB3 SER 4 HB1 SER 4 -1.083 -16.237 -0.717 27 HG SER 4 HG SER 4 -3.369 -16.458 0.947 28 H GLY 5 HN GLY 5 -3.323 -12.766 -0.932 29 HA2 GLY 5 HA2 GLY 5 -5.602 -13.136 0.796 30 HA3 GLY 5 HA1 GLY 5 -4.784 -11.591 1.014 31 H ALA 6 HN ALA 6 -7.214 -11.179 0.257 32 HA ALA 6 HA ALA 6 -7.215 -11.054 -2.676 33 HB1 ALA 6 HB1 ALA 6 -9.473 -10.927 -0.695 34 HB2 ALA 6 HB2 ALA 6 -9.147 -12.176 -1.899 35 HB3 ALA 6 HB3 ALA 6 -9.663 -10.568 -2.412 36 H ALA 7 HN ALA 7 -7.414 -9.188 -3.760 37 HA ALA 7 HA ALA 7 -7.876 -6.692 -2.360 38 HB1 ALA 7 HB1 ALA 7 -5.334 -7.385 -2.391 39 HB2 ALA 7 HB2 ALA 7 -5.828 -5.715 -2.667 40 HB3 ALA 7 HB3 ALA 7 -5.419 -6.751 -4.034 41 H ILE 8 HN ILE 8 -8.308 -4.912 -3.798 42 HA ILE 8 HA ILE 8 -8.795 -5.768 -6.570 43 HB ILE 8 HB ILE 8 -10.663 -4.125 -4.860 44 HG12 ILE 8 HG12 ILE 8 -11.517 -6.606 -6.232 45 HG13 ILE 8 HG11 ILE 8 -10.425 -6.811 -4.866 46 HG21 ILE 8 HG21 ILE 8 -11.049 -3.183 -6.906 47 HG22 ILE 8 HG22 ILE 8 -12.080 -4.605 -7.067 48 HG23 ILE 8 HG23 ILE 8 -10.467 -4.599 -7.782 49 HD11 ILE 8 HD11 ILE 8 -12.133 -5.205 -3.685 50 HD12 ILE 8 HD12 ILE 8 -12.440 -6.938 -3.812 51 HD13 ILE 8 HD13 ILE 8 -13.221 -5.819 -4.930 52 H PHE 9 HN PHE 9 -8.546 -4.272 -8.162 53 HA PHE 9 HA PHE 9 -7.778 -1.550 -7.457 54 HB2 PHE 9 HB2 PHE 9 -5.661 -2.783 -7.493 55 HB3 PHE 9 HB1 PHE 9 -6.027 -3.387 -9.106 56 HD1 PHE 9 HD1 PHE 9 -6.153 -1.793 -11.002 57 HD2 PHE 9 HD2 PHE 9 -4.697 -0.661 -7.171 58 HE1 PHE 9 HE1 PHE 9 -5.070 0.183 -12.002 59 HE2 PHE 9 HE2 PHE 9 -3.613 1.318 -8.155 60 HZ PHE 9 HZ PHE 9 -3.799 1.741 -10.577 61 H GLU 10 HN GLU 10 -8.251 -0.055 -9.035 62 HA GLU 10 HA GLU 10 -9.532 0.799 -10.708 63 HB2 GLU 10 HB2 GLU 10 -7.539 -0.973 -11.896 64 HB3 GLU 10 HB1 GLU 10 -8.922 -0.689 -12.942 65 HG2 GLU 10 HG2 GLU 10 -8.612 1.688 -12.789 66 HG3 GLU 10 HG1 GLU 10 -7.302 1.471 -11.627 67 H LYS 11 HN LYS 11 -10.947 -1.013 -9.170 68 HA LYS 11 HA LYS 11 -12.961 -2.049 -9.144 69 HB2 LYS 11 HB2 LYS 11 -13.265 -1.594 -12.094 70 HB3 LYS 11 HB1 LYS 11 -14.504 -1.618 -10.847 71 HG2 LYS 11 HG2 LYS 11 -12.392 0.513 -10.933 72 HG3 LYS 11 HG1 LYS 11 -13.887 0.635 -11.861 73 HD2 LYS 11 HD2 LYS 11 -13.797 0.178 -8.883 74 HD3 LYS 11 HD1 LYS 11 -13.935 1.773 -9.627 75 HE2 LYS 11 HE2 LYS 11 -15.915 0.466 -10.911 76 HE3 LYS 11 HE1 LYS 11 -15.931 -0.383 -9.365 77 HZ1 LYS 11 HZ1 LYS 11 -17.265 1.863 -9.803 78 HZ2 LYS 11 HZ2 LYS 11 -15.813 2.520 -9.236 79 HZ3 LYS 11 HZ3 LYS 11 -16.677 1.427 -8.277 80 H VAL 12 HN VAL 12 -10.356 -3.393 -10.242 81 HA VAL 12 HA VAL 12 -11.731 -5.775 -11.316 82 HB VAL 12 HB VAL 12 -8.797 -5.214 -11.699 83 HG11 VAL 12 HG11 VAL 12 -9.265 -6.728 -13.704 84 HG12 VAL 12 HG12 VAL 12 -10.802 -7.089 -12.918 85 HG13 VAL 12 HG13 VAL 12 -9.285 -7.473 -12.106 86 HG21 VAL 12 HG21 VAL 12 -11.107 -4.048 -13.120 87 HG22 VAL 12 HG22 VAL 12 -9.811 -4.683 -14.134 88 HG23 VAL 12 HG23 VAL 12 -9.462 -3.439 -12.933 89 H SER 13 HN SER 13 -11.829 -7.399 -9.906 90 HA SER 13 HA SER 13 -10.141 -7.340 -7.566 91 HB2 SER 13 HB2 SER 13 -11.510 -9.168 -6.732 92 HB3 SER 13 HB1 SER 13 -12.538 -7.874 -7.349 93 HG SER 13 HG SER 13 -12.112 -10.442 -8.339 94 H GLY 14 HN GLY 14 -8.947 -9.081 -6.788 95 HA2 GLY 14 HA2 GLY 14 -8.234 -11.330 -8.380 96 HA3 GLY 14 HA1 GLY 14 -7.014 -10.065 -8.478 97 H ILE 15 HN ILE 15 -5.927 -12.150 -7.464 98 HA ILE 15 HA ILE 15 -6.224 -11.987 -4.539 99 HB ILE 15 HB ILE 15 -4.628 -14.145 -5.868 100 HG12 ILE 15 HG12 ILE 15 -7.627 -14.238 -5.462 101 HG13 ILE 15 HG11 ILE 15 -6.828 -14.088 -7.024 102 HG21 ILE 15 HG21 ILE 15 -5.767 -15.354 -3.835 103 HG22 ILE 15 HG22 ILE 15 -5.997 -13.704 -3.257 104 HG23 ILE 15 HG23 ILE 15 -4.370 -14.305 -3.589 105 HD11 ILE 15 HD11 ILE 15 -7.485 -16.434 -5.591 106 HD12 ILE 15 HD12 ILE 15 -5.727 -16.332 -5.692 107 HD13 ILE 15 HD13 ILE 15 -6.699 -16.286 -7.163 108 H ILE 16 HN ILE 16 -4.638 -11.223 -3.352 109 HA ILE 16 HA ILE 16 -2.181 -10.373 -4.701 110 HB ILE 16 HB ILE 16 -3.508 -8.598 -3.714 111 HG12 ILE 16 HG12 ILE 16 -1.116 -8.975 -1.926 112 HG13 ILE 16 HG11 ILE 16 -0.958 -8.578 -3.635 113 HG21 ILE 16 HG21 ILE 16 -3.217 -10.131 -1.144 114 HG22 ILE 16 HG22 ILE 16 -4.706 -9.777 -2.020 115 HG23 ILE 16 HG23 ILE 16 -3.800 -8.471 -1.254 116 HD11 ILE 16 HD11 ILE 16 -2.634 -6.654 -2.986 117 HD12 ILE 16 HD12 ILE 16 -0.893 -6.493 -2.736 118 HD13 ILE 16 HD13 ILE 16 -1.942 -6.921 -1.383 119 H ALA 17 HN ALA 17 -0.321 -11.424 -4.234 120 HA ALA 17 HA ALA 17 -0.088 -12.748 -1.609 121 HB1 ALA 17 HB1 ALA 17 -0.715 -14.335 -3.457 122 HB2 ALA 17 HB2 ALA 17 0.754 -14.740 -2.566 123 HB3 ALA 17 HB3 ALA 17 0.867 -14.001 -4.166 124 H ILE 18 HN ILE 18 1.934 -12.818 -0.678 125 HA ILE 18 HA ILE 18 3.949 -11.058 -1.866 126 HB ILE 18 HB ILE 18 4.284 -12.374 0.802 127 HG12 ILE 18 HG12 ILE 18 2.024 -11.492 0.913 128 HG13 ILE 18 HG11 ILE 18 3.100 -10.466 1.858 129 HG21 ILE 18 HG21 ILE 18 5.153 -9.857 1.087 130 HG22 ILE 18 HG22 ILE 18 5.372 -10.050 -0.652 131 HG23 ILE 18 HG23 ILE 18 6.159 -11.165 0.465 132 HD11 ILE 18 HD11 ILE 18 3.166 -8.854 0.031 133 HD12 ILE 18 HD12 ILE 18 1.517 -9.147 0.583 134 HD13 ILE 18 HD13 ILE 18 2.088 -9.882 -0.915 135 H ASN 19 HN ASN 19 6.030 -11.714 -2.339 136 HA ASN 19 HA ASN 19 6.528 -14.623 -2.305 137 HB2 ASN 19 HB2 ASN 19 6.085 -13.358 -4.573 138 HB3 ASN 19 HB1 ASN 19 7.762 -12.859 -4.378 139 HD21 ASN 19 HD21 ASN 19 5.611 -15.451 -5.077 140 HD22 ASN 19 HD22 ASN 19 6.810 -16.621 -5.497 141 H GLU 20 HN GLU 20 8.016 -15.052 -0.858 142 HA GLU 20 HA GLU 20 10.273 -13.194 -0.564 143 HB2 GLU 20 HB2 GLU 20 8.852 -14.980 1.364 144 HB3 GLU 20 HB1 GLU 20 10.564 -14.668 1.619 145 HG2 GLU 20 HG2 GLU 20 10.122 -12.269 1.682 146 HG3 GLU 20 HG1 GLU 20 8.406 -12.578 1.419 147 H ASP 21 HN ASP 21 9.922 -15.199 -2.605 148 HA ASP 21 HA ASP 21 12.014 -17.147 -1.925 149 HB2 ASP 21 HB2 ASP 21 9.804 -17.103 -3.948 150 HB3 ASP 21 HB1 ASP 21 11.229 -18.095 -4.246 151 H VAL 22 HN VAL 22 11.326 -14.378 -3.876 152 HA VAL 22 HA VAL 22 13.766 -14.784 -5.457 153 HB VAL 22 HB VAL 22 12.701 -12.378 -6.304 154 HG11 VAL 22 HG11 VAL 22 11.699 -14.005 -8.146 155 HG12 VAL 22 HG12 VAL 22 12.718 -15.168 -7.299 156 HG13 VAL 22 HG13 VAL 22 13.431 -13.711 -7.991 157 HG21 VAL 22 HG21 VAL 22 10.423 -14.274 -5.747 158 HG22 VAL 22 HG22 VAL 22 10.323 -12.822 -6.743 159 HG23 VAL 22 HG23 VAL 22 10.667 -12.687 -5.019 160 H SER 23 HN SER 23 15.094 -12.731 -5.839 161 HA SER 23 HA SER 23 16.294 -11.918 -3.500 162 HB2 SER 23 HB2 SER 23 16.329 -10.974 -6.291 163 HB3 SER 23 HB1 SER 23 16.821 -9.778 -5.092 164 HG SER 23 HG SER 23 17.877 -12.405 -5.186 165 HA PRO 24 HA PRO 24 13.758 -7.930 -3.170 166 HB2 PRO 24 HB2 PRO 24 12.132 -7.100 -5.123 167 HB3 PRO 24 HB1 PRO 24 13.879 -6.815 -5.203 168 HG2 PRO 24 HG2 PRO 24 12.235 -8.899 -6.582 169 HG3 PRO 24 HG1 PRO 24 13.591 -7.947 -7.212 170 HD2 PRO 24 HD2 PRO 24 13.800 -10.543 -6.307 171 HD3 PRO 24 HD1 PRO 24 15.145 -9.388 -6.363 172 H ALA 25 HN ALA 25 12.679 -9.413 -1.726 173 HA ALA 25 HA ALA 25 10.512 -11.009 -2.198 174 HB1 ALA 25 HB1 ALA 25 11.448 -9.491 0.143 175 HB2 ALA 25 HB2 ALA 25 11.014 -11.194 -0.012 176 HB3 ALA 25 HB3 ALA 25 9.752 -9.975 0.167 177 H GLU 26 HN GLU 26 9.096 -10.342 -3.679 178 HA GLU 26 HA GLU 26 7.566 -7.897 -3.104 179 HB2 GLU 26 HB2 GLU 26 7.179 -7.806 -5.586 180 HB3 GLU 26 HB1 GLU 26 8.832 -7.494 -5.052 181 HG2 GLU 26 HG2 GLU 26 8.952 -8.877 -6.971 182 HG3 GLU 26 HG1 GLU 26 9.354 -9.883 -5.581 183 H LEU 27 HN LEU 27 5.367 -7.914 -4.249 184 HA LEU 27 HA LEU 27 4.150 -10.551 -3.967 185 HB2 LEU 27 HB2 LEU 27 2.145 -9.442 -3.088 186 HB3 LEU 27 HB1 LEU 27 3.544 -9.157 -2.070 187 HG LEU 27 HG LEU 27 3.625 -6.977 -3.712 188 HD11 LEU 27 HD11 LEU 27 0.720 -7.590 -3.185 189 HD12 LEU 27 HD12 LEU 27 1.505 -7.555 -4.764 190 HD13 LEU 27 HD13 LEU 27 1.359 -6.073 -3.819 191 HD21 LEU 27 HD21 LEU 27 3.124 -5.751 -1.810 192 HD22 LEU 27 HD22 LEU 27 3.688 -7.283 -1.144 193 HD23 LEU 27 HD23 LEU 27 1.960 -6.940 -1.226 194 H THR 28 HN THR 28 2.436 -11.033 -5.408 195 HA THR 28 HA THR 28 2.146 -9.079 -7.576 196 HB THR 28 HB THR 28 3.273 -11.691 -7.728 197 HG1 THR 28 HG1 THR 28 3.965 -10.937 -9.632 198 HG21 THR 28 HG21 THR 28 0.963 -12.433 -8.272 199 HG22 THR 28 HG22 THR 28 2.126 -12.655 -9.579 200 HG23 THR 28 HG23 THR 28 0.989 -11.308 -9.631 201 H TRP 29 HN TRP 29 0.232 -8.688 -8.322 202 HA TRP 29 HA TRP 29 -2.043 -9.928 -6.962 203 HB2 TRP 29 HB2 TRP 29 -1.742 -7.436 -7.040 204 HB3 TRP 29 HB1 TRP 29 -1.984 -7.515 -8.780 205 HD1 TRP 29 HD1 TRP 29 -3.907 -8.209 -5.506 206 HE1 TRP 29 HE1 TRP 29 -6.414 -7.874 -5.976 207 HE3 TRP 29 HE3 TRP 29 -3.676 -7.410 -10.549 208 HZ2 TRP 29 HZ2 TRP 29 -8.070 -7.338 -8.187 209 HZ3 TRP 29 HZ3 TRP 29 -5.781 -6.998 -11.765 210 HH2 TRP 29 HH2 TRP 29 -7.928 -6.965 -10.610 211 H ARG 30 HN ARG 30 -3.622 -11.070 -8.025 212 HA ARG 30 HA ARG 30 -3.394 -11.293 -10.951 213 HB2 ARG 30 HB2 ARG 30 -2.314 -13.228 -9.628 214 HB3 ARG 30 HB1 ARG 30 -3.963 -13.699 -9.238 215 HG2 ARG 30 HG2 ARG 30 -4.486 -14.095 -11.512 216 HG3 ARG 30 HG1 ARG 30 -2.996 -13.321 -12.058 217 HD2 ARG 30 HD2 ARG 30 -1.691 -15.099 -10.989 218 HD3 ARG 30 HD1 ARG 30 -3.185 -15.873 -10.459 219 HE ARG 30 HE ARG 30 -3.469 -15.669 -13.156 220 HH11 ARG 30 HH11 ARG 30 -1.031 -17.035 -11.066 221 HH12 ARG 30 HH12 ARG 30 -0.568 -18.260 -12.199 222 HH21 ARG 30 HH21 ARG 30 -2.862 -17.280 -14.648 223 HH22 ARG 30 HH22 ARG 30 -1.606 -18.399 -14.233 224 H SER 31 HN SER 31 -5.271 -10.786 -11.878 225 HA SER 31 HA SER 31 -7.627 -10.225 -10.574 226 HB2 SER 31 HB2 SER 31 -8.707 -10.703 -12.880 227 HB3 SER 31 HB1 SER 31 -7.485 -9.437 -12.774 228 HG SER 31 HG SER 31 -6.929 -12.115 -13.521 229 H THR 32 HN THR 32 -9.485 -11.312 -10.048 230 HA THR 32 HA THR 32 -9.290 -14.023 -9.373 231 HB THR 32 HB THR 32 -11.954 -13.676 -9.353 232 HG1 THR 32 HG1 THR 32 -12.321 -11.723 -10.047 233 HG21 THR 32 HG21 THR 32 -11.844 -13.009 -7.112 234 HG22 THR 32 HG22 THR 32 -10.291 -12.204 -7.341 235 HG23 THR 32 HG23 THR 32 -10.388 -13.964 -7.387 236 H ASP 33 HN ASP 33 -10.549 -12.413 -12.182 237 HA ASP 33 HA ASP 33 -11.679 -14.804 -13.302 238 HB2 ASP 33 HB2 ASP 33 -12.386 -12.282 -13.646 239 HB3 ASP 33 HB1 ASP 33 -11.198 -12.359 -14.944 240 H GLY 34 HN GLY 34 -8.630 -13.259 -13.276 241 HA2 GLY 34 HA2 GLY 34 -6.623 -14.134 -14.071 242 HA3 GLY 34 HA1 GLY 34 -7.534 -15.325 -14.988 243 H ASP 35 HN ASP 35 -8.451 -12.011 -15.275 244 HA ASP 35 HA ASP 35 -7.766 -12.040 -18.056 245 HB2 ASP 35 HB2 ASP 35 -8.855 -9.772 -18.058 246 HB3 ASP 35 HB1 ASP 35 -9.887 -11.089 -17.508 247 H LYS 36 HN LYS 36 -6.727 -10.363 -15.172 248 HA LYS 36 HA LYS 36 -4.437 -9.315 -16.687 249 HB2 LYS 36 HB2 LYS 36 -4.455 -7.374 -15.102 250 HB3 LYS 36 HB1 LYS 36 -5.800 -7.433 -16.231 251 HG2 LYS 36 HG2 LYS 36 -7.200 -8.406 -14.445 252 HG3 LYS 36 HG1 LYS 36 -5.850 -8.204 -13.326 253 HD2 LYS 36 HD2 LYS 36 -7.283 -6.018 -14.831 254 HD3 LYS 36 HD1 LYS 36 -7.398 -6.351 -13.103 255 HE2 LYS 36 HE2 LYS 36 -5.821 -4.742 -12.967 256 HE3 LYS 36 HE1 LYS 36 -4.734 -6.078 -13.345 257 HZ1 LYS 36 HZ1 LYS 36 -5.559 -3.830 -14.999 258 HZ2 LYS 36 HZ2 LYS 36 -5.397 -5.316 -15.790 259 HZ3 LYS 36 HZ3 LYS 36 -4.084 -4.657 -14.953 260 H VAL 37 HN VAL 37 -2.587 -8.713 -15.273 261 HA VAL 37 HA VAL 37 -2.364 -10.232 -12.799 262 HB VAL 37 HB VAL 37 -0.242 -10.575 -14.909 263 HG11 VAL 37 HG11 VAL 37 -0.785 -12.520 -12.731 264 HG12 VAL 37 HG12 VAL 37 -0.025 -10.986 -12.306 265 HG13 VAL 37 HG13 VAL 37 0.742 -12.055 -13.481 266 HG21 VAL 37 HG21 VAL 37 -2.239 -11.525 -15.865 267 HG22 VAL 37 HG22 VAL 37 -2.602 -12.372 -14.362 268 HG23 VAL 37 HG23 VAL 37 -1.191 -12.832 -15.314 269 H HIS 38 HN HIS 38 -1.255 -9.107 -11.323 270 HA HIS 38 HA HIS 38 0.491 -6.937 -12.267 271 HB2 HIS 38 HB2 HIS 38 -1.858 -6.716 -10.736 272 HB3 HIS 38 HB1 HIS 38 -0.529 -6.440 -9.616 273 HD1 HIS 38 HD1 HIS 38 -0.173 -4.012 -9.387 274 HD2 HIS 38 HD2 HIS 38 -1.117 -5.063 -13.295 275 HE1 HIS 38 HE1 HIS 38 -0.082 -1.870 -10.701 276 HE2 HIS 38 HE2 HIS 38 -0.740 -2.517 -13.045 277 H THR 39 HN THR 39 2.288 -6.440 -11.012 278 HA THR 39 HA THR 39 3.066 -8.316 -8.874 279 HB THR 39 HB THR 39 4.860 -7.610 -11.221 280 HG1 THR 39 HG1 THR 39 4.462 -9.671 -11.982 281 HG21 THR 39 HG21 THR 39 5.697 -9.988 -10.061 282 HG22 THR 39 HG22 THR 39 5.338 -8.919 -8.705 283 HG23 THR 39 HG23 THR 39 6.480 -8.412 -9.949 284 H VAL 40 HN VAL 40 3.325 -6.851 -7.245 285 HA VAL 40 HA VAL 40 4.613 -4.285 -7.846 286 HB VAL 40 HB VAL 40 3.284 -5.115 -5.265 287 HG11 VAL 40 HG11 VAL 40 4.989 -3.024 -5.765 288 HG12 VAL 40 HG12 VAL 40 3.807 -3.096 -4.458 289 HG13 VAL 40 HG13 VAL 40 3.400 -2.286 -5.971 290 HG21 VAL 40 HG21 VAL 40 1.261 -4.538 -6.052 291 HG22 VAL 40 HG22 VAL 40 1.977 -4.800 -7.642 292 HG23 VAL 40 HG23 VAL 40 1.901 -3.173 -6.967 293 H VAL 41 HN VAL 41 6.781 -4.321 -7.665 294 HA VAL 41 HA VAL 41 8.099 -6.237 -6.030 295 HB VAL 41 HB VAL 41 9.389 -3.816 -7.255 296 HG11 VAL 41 HG11 VAL 41 11.194 -5.866 -7.303 297 HG12 VAL 41 HG12 VAL 41 10.330 -6.189 -5.799 298 HG13 VAL 41 HG13 VAL 41 11.110 -4.628 -6.052 299 HG21 VAL 41 HG21 VAL 41 9.686 -4.954 -9.259 300 HG22 VAL 41 HG22 VAL 41 8.031 -5.373 -8.816 301 HG23 VAL 41 HG23 VAL 41 9.338 -6.523 -8.533 302 H LEU 42 HN LEU 42 7.782 -6.085 -3.927 303 HA LEU 42 HA LEU 42 7.375 -3.849 -2.367 304 HB2 LEU 42 HB2 LEU 42 8.762 -6.430 -1.693 305 HB3 LEU 42 HB1 LEU 42 8.243 -5.260 -0.495 306 HG LEU 42 HG LEU 42 6.302 -6.526 -2.418 307 HD11 LEU 42 HD11 LEU 42 5.853 -7.782 -0.038 308 HD12 LEU 42 HD12 LEU 42 7.615 -7.725 -0.094 309 HD13 LEU 42 HD13 LEU 42 6.713 -8.482 -1.409 310 HD21 LEU 42 HD21 LEU 42 4.930 -6.010 -0.176 311 HD22 LEU 42 HD22 LEU 42 5.117 -4.845 -1.486 312 HD23 LEU 42 HD23 LEU 42 6.158 -4.749 -0.066 313 H SER 43 HN SER 43 10.295 -4.965 -3.821 314 HA SER 43 HA SER 43 12.157 -3.756 -2.077 315 HB2 SER 43 HB2 SER 43 13.740 -4.531 -3.514 316 HB3 SER 43 HB1 SER 43 12.388 -5.418 -4.211 317 HG SER 43 HG SER 43 13.606 -3.043 -5.114 318 H THR 44 HN THR 44 10.784 -2.709 -5.137 319 HA THR 44 HA THR 44 11.925 -0.111 -5.052 320 HB THR 44 HB THR 44 10.005 0.271 -6.787 321 HG1 THR 44 HG1 THR 44 8.745 -1.356 -7.039 322 HG21 THR 44 HG21 THR 44 11.767 0.099 -8.113 323 HG22 THR 44 HG22 THR 44 11.406 -1.624 -8.236 324 HG23 THR 44 HG23 THR 44 12.552 -1.047 -7.025 325 H ILE 45 HN ILE 45 9.181 -1.626 -3.623 326 HA ILE 45 HA ILE 45 7.926 0.959 -3.022 327 HB ILE 45 HB ILE 45 6.889 -1.784 -2.318 328 HG12 ILE 45 HG12 ILE 45 7.167 -1.554 -4.761 329 HG13 ILE 45 HG11 ILE 45 5.471 -1.623 -4.298 330 HG21 ILE 45 HG21 ILE 45 4.941 -0.777 -1.668 331 HG22 ILE 45 HG22 ILE 45 5.180 0.618 -2.721 332 HG23 ILE 45 HG23 ILE 45 6.100 0.475 -1.223 333 HD11 ILE 45 HD11 ILE 45 5.287 0.125 -5.680 334 HD12 ILE 45 HD12 ILE 45 6.999 0.530 -5.565 335 HD13 ILE 45 HD13 ILE 45 5.884 1.044 -4.299 336 H ASP 46 HN ASP 46 9.031 1.900 -1.388 337 HA ASP 46 HA ASP 46 9.826 0.319 0.928 338 HB2 ASP 46 HB2 ASP 46 11.371 1.997 -0.113 339 HB3 ASP 46 HB1 ASP 46 10.272 3.264 0.424 340 H LYS 47 HN LYS 47 7.046 1.784 0.007 341 HA LYS 47 HA LYS 47 6.353 2.507 2.781 342 HB2 LYS 47 HB2 LYS 47 5.989 3.963 0.295 343 HB3 LYS 47 HB1 LYS 47 4.468 3.735 1.147 344 HG2 LYS 47 HG2 LYS 47 5.238 5.745 1.983 345 HG3 LYS 47 HG1 LYS 47 5.751 4.586 3.211 346 HD2 LYS 47 HD2 LYS 47 7.735 5.648 2.968 347 HD3 LYS 47 HD1 LYS 47 7.907 4.536 1.608 348 HE2 LYS 47 HE2 LYS 47 6.901 6.301 0.148 349 HE3 LYS 47 HE1 LYS 47 6.976 7.401 1.523 350 HZ1 LYS 47 HZ1 LYS 47 9.208 6.192 0.013 351 HZ2 LYS 47 HZ2 LYS 47 9.440 6.807 1.572 352 HZ3 LYS 47 HZ3 LYS 47 8.910 7.827 0.331 353 H LEU 48 HN LEU 48 4.432 1.808 3.600 354 HA LEU 48 HA LEU 48 2.558 0.310 1.977 355 HB2 LEU 48 HB2 LEU 48 3.934 -1.524 2.420 356 HB3 LEU 48 HB1 LEU 48 4.348 -0.952 4.023 357 HG LEU 48 HG LEU 48 2.827 -3.016 3.803 358 HD11 LEU 48 HD11 LEU 48 3.062 -0.996 5.724 359 HD12 LEU 48 HD12 LEU 48 2.480 -2.643 5.957 360 HD13 LEU 48 HD13 LEU 48 1.338 -1.347 5.602 361 HD21 LEU 48 HD21 LEU 48 1.320 -1.418 2.223 362 HD22 LEU 48 HD22 LEU 48 0.503 -1.217 3.773 363 HD23 LEU 48 HD23 LEU 48 0.705 -2.828 3.085 364 H GLN 49 HN GLN 49 0.614 1.005 2.615 365 HA GLN 49 HA GLN 49 0.258 1.659 5.465 366 HB2 GLN 49 HB2 GLN 49 -1.160 3.155 3.284 367 HB3 GLN 49 HB1 GLN 49 -0.911 3.622 4.960 368 HG2 GLN 49 HG2 GLN 49 0.831 4.820 4.325 369 HG3 GLN 49 HG1 GLN 49 1.645 3.331 3.851 370 HE21 GLN 49 HE21 GLN 49 -0.502 5.877 2.714 371 HE22 GLN 49 HE22 GLN 49 -0.068 5.752 1.046 372 H ALA 50 HN ALA 50 -1.468 0.882 6.454 373 HA ALA 50 HA ALA 50 -3.653 -0.277 4.857 374 HB1 ALA 50 HB1 ALA 50 -3.691 -2.227 6.074 375 HB2 ALA 50 HB2 ALA 50 -2.909 -1.495 7.475 376 HB3 ALA 50 HB3 ALA 50 -1.961 -1.895 6.044 377 H THR 51 HN THR 51 -5.738 -0.353 6.015 378 HA THR 51 HA THR 51 -6.106 2.069 7.501 379 HB THR 51 HB THR 51 -8.521 0.968 7.696 380 HG1 THR 51 HG1 THR 51 -7.519 -0.236 5.356 381 HG21 THR 51 HG21 THR 51 -7.439 1.992 5.079 382 HG22 THR 51 HG22 THR 51 -7.959 3.002 6.427 383 HG23 THR 51 HG23 THR 51 -9.126 1.973 5.598 384 HA PRO 52 HA PRO 52 -5.641 0.029 11.469 385 HB2 PRO 52 HB2 PRO 52 -4.996 2.208 12.850 386 HB3 PRO 52 HB1 PRO 52 -3.871 1.526 11.668 387 HG2 PRO 52 HG2 PRO 52 -5.627 3.920 11.452 388 HG3 PRO 52 HG1 PRO 52 -4.005 3.653 10.794 389 HD2 PRO 52 HD2 PRO 52 -6.439 3.386 9.408 390 HD3 PRO 52 HD1 PRO 52 -4.851 2.826 8.858 391 H ALA 53 HN ALA 53 -6.617 0.347 13.630 392 HA ALA 53 HA ALA 53 -9.273 0.267 13.788 393 HB1 ALA 53 HB1 ALA 53 -9.117 0.502 16.067 394 HB2 ALA 53 HB2 ALA 53 -7.903 1.777 15.960 395 HB3 ALA 53 HB3 ALA 53 -7.455 0.102 15.634 396 H SER 54 HN SER 54 -7.587 3.190 13.080 397 HA SER 54 HA SER 54 -9.393 5.129 13.990 398 HB2 SER 54 HB2 SER 54 -7.734 5.146 11.479 399 HB3 SER 54 HB1 SER 54 -8.394 6.570 12.290 400 HG SER 54 HG SER 54 -6.102 5.953 12.725 401 H SER 55 HN SER 55 -9.373 3.052 11.243 402 HA SER 55 HA SER 55 -12.110 3.864 10.602 403 HB2 SER 55 HB2 SER 55 -9.733 4.140 8.917 404 HB3 SER 55 HB1 SER 55 -11.082 3.334 8.122 405 HG SER 55 HG SER 55 -11.160 5.863 9.412 406 H GLU 56 HN GLU 56 -13.398 2.123 10.538 407 HA GLU 56 HA GLU 56 -12.483 -0.508 10.810 408 HB2 GLU 56 HB2 GLU 56 -14.889 0.610 11.084 409 HB3 GLU 56 HB1 GLU 56 -15.095 -0.022 9.456 410 HG2 GLU 56 HG2 GLU 56 -14.751 -2.249 10.178 411 HG3 GLU 56 HG1 GLU 56 -14.190 -1.718 11.763 412 H LYS 57 HN LYS 57 -12.726 1.536 8.092 413 HA LYS 57 HA LYS 57 -13.110 -0.098 5.934 414 HB2 LYS 57 HB2 LYS 57 -11.171 2.216 6.215 415 HB3 LYS 57 HB1 LYS 57 -11.710 1.531 4.684 416 HG2 LYS 57 HG2 LYS 57 -13.376 2.995 4.721 417 HG3 LYS 57 HG1 LYS 57 -14.059 2.078 6.062 418 HD2 LYS 57 HD2 LYS 57 -13.002 3.480 7.669 419 HD3 LYS 57 HD1 LYS 57 -12.025 4.269 6.429 420 HE2 LYS 57 HE2 LYS 57 -13.599 5.844 6.365 421 HE3 LYS 57 HE1 LYS 57 -14.627 4.653 5.569 422 HZ1 LYS 57 HZ1 LYS 57 -15.951 5.210 7.308 423 HZ2 LYS 57 HZ2 LYS 57 -14.664 5.585 8.339 424 HZ3 LYS 57 HZ3 LYS 57 -15.076 3.969 8.055 425 H MET 58 HN MET 58 -11.710 -1.192 4.491 426 HA MET 58 HA MET 58 -9.153 -2.070 5.664 427 HB2 MET 58 HB2 MET 58 -9.654 -4.284 4.469 428 HB3 MET 58 HB1 MET 58 -10.534 -3.945 5.954 429 HG2 MET 58 HG2 MET 58 -11.738 -3.168 3.349 430 HG3 MET 58 HG1 MET 58 -11.758 -4.863 3.835 431 HE1 MET 58 HE1 MET 58 -14.426 -3.741 3.243 432 HE2 MET 58 HE2 MET 58 -15.399 -4.037 4.685 433 HE3 MET 58 HE3 MET 58 -14.285 -5.278 4.103 434 H MET 59 HN MET 59 -7.482 -1.601 4.397 435 HA MET 59 HA MET 59 -7.494 -2.072 1.596 436 HB2 MET 59 HB2 MET 59 -7.074 0.297 0.920 437 HB3 MET 59 HB1 MET 59 -8.715 -0.007 1.475 438 HG2 MET 59 HG2 MET 59 -7.310 0.728 3.753 439 HG3 MET 59 HG1 MET 59 -6.728 1.809 2.496 440 HE1 MET 59 HE1 MET 59 -8.793 4.527 2.819 441 HE2 MET 59 HE2 MET 59 -7.271 3.745 3.239 442 HE3 MET 59 HE3 MET 59 -8.528 3.948 4.459 443 H LEU 60 HN LEU 60 -5.420 -1.481 0.578 444 HA LEU 60 HA LEU 60 -3.240 -1.035 2.481 445 HB2 LEU 60 HB2 LEU 60 -3.469 -3.329 0.541 446 HB3 LEU 60 HB1 LEU 60 -1.930 -2.812 1.200 447 HG LEU 60 HG LEU 60 -4.266 -3.979 2.711 448 HD11 LEU 60 HD11 LEU 60 -1.456 -4.902 2.150 449 HD12 LEU 60 HD12 LEU 60 -2.967 -5.687 1.692 450 HD13 LEU 60 HD13 LEU 60 -2.482 -5.626 3.388 451 HD21 LEU 60 HD21 LEU 60 -1.694 -2.870 3.826 452 HD22 LEU 60 HD22 LEU 60 -2.955 -3.702 4.736 453 HD23 LEU 60 HD23 LEU 60 -3.288 -2.137 3.999 454 H ARG 61 HN ARG 61 -1.931 0.528 1.775 455 HA ARG 61 HA ARG 61 -1.844 1.058 -1.126 456 HB2 ARG 61 HB2 ARG 61 -2.956 2.897 -0.083 457 HB3 ARG 61 HB1 ARG 61 -1.753 2.985 1.196 458 HG2 ARG 61 HG2 ARG 61 -0.269 4.125 -0.085 459 HG3 ARG 61 HG1 ARG 61 -0.782 3.339 -1.577 460 HD2 ARG 61 HD2 ARG 61 -2.890 4.971 -0.461 461 HD3 ARG 61 HD1 ARG 61 -1.423 5.910 -0.726 462 HE ARG 61 HE ARG 61 -1.954 4.347 -3.003 463 HH11 ARG 61 HH11 ARG 61 -3.201 7.123 -1.294 464 HH12 ARG 61 HH12 ARG 61 -3.871 7.853 -2.714 465 HH21 ARG 61 HH21 ARG 61 -2.835 5.306 -4.872 466 HH22 ARG 61 HH22 ARG 61 -3.664 6.821 -4.745 467 H LEU 62 HN LEU 62 0.117 1.302 -2.083 468 HA LEU 62 HA LEU 62 2.503 1.271 -0.369 469 HB2 LEU 62 HB2 LEU 62 3.152 -0.172 -2.700 470 HB3 LEU 62 HB1 LEU 62 3.061 -0.768 -1.055 471 HG LEU 62 HG LEU 62 0.571 -0.618 -2.709 472 HD11 LEU 62 HD11 LEU 62 2.079 -1.767 -4.167 473 HD12 LEU 62 HD12 LEU 62 1.015 -2.958 -3.419 474 HD13 LEU 62 HD13 LEU 62 2.671 -2.771 -2.843 475 HD21 LEU 62 HD21 LEU 62 1.332 -2.745 -0.752 476 HD22 LEU 62 HD22 LEU 62 -0.269 -2.162 -1.210 477 HD23 LEU 62 HD23 LEU 62 0.768 -1.175 -0.178 478 H ILE 63 HN ILE 63 4.180 2.528 -1.051 479 HA ILE 63 HA ILE 63 3.710 4.062 -3.520 480 HB ILE 63 HB ILE 63 5.539 4.936 -1.302 481 HG12 ILE 63 HG12 ILE 63 3.486 4.800 -0.168 482 HG13 ILE 63 HG11 ILE 63 3.583 6.474 -0.696 483 HG21 ILE 63 HG21 ILE 63 6.040 6.274 -3.071 484 HG22 ILE 63 HG22 ILE 63 4.687 7.187 -2.404 485 HG23 ILE 63 HG23 ILE 63 4.436 6.121 -3.787 486 HD11 ILE 63 HD11 ILE 63 1.619 4.450 -1.306 487 HD12 ILE 63 HD12 ILE 63 2.277 5.189 -2.766 488 HD13 ILE 63 HD13 ILE 63 1.545 6.199 -1.519 489 H GLY 64 HN GLY 64 5.342 4.420 -4.955 490 HA2 GLY 64 HA2 GLY 64 7.424 2.387 -4.963 491 HA3 GLY 64 HA1 GLY 64 7.009 3.459 -6.292 492 H LYS 65 HN LYS 65 8.106 3.947 -2.931 493 HA LYS 65 HA LYS 65 9.760 5.241 -2.054 494 HB2 LYS 65 HB2 LYS 65 10.939 3.593 -3.859 495 HB3 LYS 65 HB1 LYS 65 11.425 5.159 -4.494 496 HG2 LYS 65 HG2 LYS 65 13.121 5.020 -3.059 497 HG3 LYS 65 HG1 LYS 65 11.935 5.432 -1.819 498 HD2 LYS 65 HD2 LYS 65 12.659 3.523 -0.859 499 HD3 LYS 65 HD1 LYS 65 11.551 2.763 -2.003 500 HE2 LYS 65 HE2 LYS 65 13.759 3.001 -3.539 501 HE3 LYS 65 HE1 LYS 65 14.497 2.801 -1.950 502 HZ1 LYS 65 HZ1 LYS 65 14.258 0.636 -2.503 503 HZ2 LYS 65 HZ2 LYS 65 12.940 0.907 -3.527 504 HZ3 LYS 65 HZ3 LYS 65 12.713 0.865 -1.852 505 H VAL 66 HN VAL 66 11.559 7.036 -3.189 506 HA VAL 66 HA VAL 66 11.774 9.157 -3.999 507 HB VAL 66 HB VAL 66 9.116 8.889 -5.386 508 HG11 VAL 66 HG11 VAL 66 9.829 11.054 -5.681 509 HG12 VAL 66 HG12 VAL 66 10.547 10.269 -7.087 510 HG13 VAL 66 HG13 VAL 66 11.535 10.610 -5.667 511 HG21 VAL 66 HG21 VAL 66 11.757 7.675 -6.123 512 HG22 VAL 66 HG22 VAL 66 10.584 8.124 -7.362 513 HG23 VAL 66 HG23 VAL 66 10.154 6.939 -6.129 514 H ASP 67 HN ASP 67 10.847 11.333 -3.759 515 HA ASP 67 HA ASP 67 8.648 11.433 -1.809 516 HB2 ASP 67 HB2 ASP 67 11.410 12.511 -1.577 517 HB3 ASP 67 HB1 ASP 67 10.101 13.510 -0.952 518 H GLU 68 HN GLU 68 7.644 13.591 -1.642 519 HA GLU 68 HA GLU 68 7.946 15.210 -4.045 520 HB2 GLU 68 HB2 GLU 68 5.534 15.358 -4.324 521 HB3 GLU 68 HB1 GLU 68 6.057 13.681 -4.395 522 HG2 GLU 68 HG2 GLU 68 5.159 14.780 -1.784 523 HG3 GLU 68 HG1 GLU 68 3.949 14.401 -3.009 524 H SER 69 HN SER 69 8.284 15.267 -0.879 525 HA SER 69 HA SER 69 6.768 17.623 -0.234 526 HB2 SER 69 HB2 SER 69 7.028 16.052 1.545 527 HB3 SER 69 HB1 SER 69 8.775 15.989 1.316 528 HG SER 69 HG SER 69 7.996 17.334 3.098 529 H LYS 70 HN LYS 70 9.488 17.167 -1.996 530 HA LYS 70 HA LYS 70 11.061 19.330 -0.939 531 HB2 LYS 70 HB2 LYS 70 12.605 18.832 -2.757 532 HB3 LYS 70 HB1 LYS 70 12.154 17.360 -1.907 533 HG2 LYS 70 HG2 LYS 70 10.331 17.784 -4.060 534 HG3 LYS 70 HG1 LYS 70 11.985 17.905 -4.665 535 HD2 LYS 70 HD2 LYS 70 12.362 15.735 -3.272 536 HD3 LYS 70 HD1 LYS 70 10.605 15.593 -3.361 537 HE2 LYS 70 HE2 LYS 70 10.993 14.534 -5.299 538 HE3 LYS 70 HE1 LYS 70 11.244 16.154 -5.949 539 HZ1 LYS 70 HZ1 LYS 70 13.027 14.345 -6.321 540 HZ2 LYS 70 HZ2 LYS 70 13.495 14.697 -4.734 541 HZ3 LYS 70 HZ3 LYS 70 13.519 15.911 -5.911 542 H LYS 71 HN LYS 71 8.260 19.441 -2.475 543 HA LYS 71 HA LYS 71 8.532 20.931 -4.779 544 HB2 LYS 71 HB2 LYS 71 6.279 21.584 -4.506 545 HB3 LYS 71 HB1 LYS 71 6.406 20.002 -3.750 546 HG2 LYS 71 HG2 LYS 71 6.942 21.960 -1.771 547 HG3 LYS 71 HG1 LYS 71 5.479 22.437 -2.634 548 HD2 LYS 71 HD2 LYS 71 4.389 20.412 -2.106 549 HD3 LYS 71 HD1 LYS 71 5.896 19.642 -1.606 550 HE2 LYS 71 HE2 LYS 71 4.583 20.211 0.343 551 HE3 LYS 71 HE1 LYS 71 6.036 21.207 0.291 552 HZ1 LYS 71 HZ1 LYS 71 4.433 22.840 -0.945 553 HZ2 LYS 71 HZ2 LYS 71 4.461 22.772 0.745 554 HZ3 LYS 71 HZ3 LYS 71 3.238 21.979 -0.112 555 H ARG 72 HN ARG 72 7.477 23.342 -4.709 556 HA ARG 72 HA ARG 72 8.719 24.989 -2.677 557 HB2 ARG 72 HB2 ARG 72 9.719 26.390 -4.694 558 HB3 ARG 72 HB1 ARG 72 10.627 25.092 -3.936 559 HG2 ARG 72 HG2 ARG 72 8.940 24.672 -6.386 560 HG3 ARG 72 HG1 ARG 72 10.634 25.157 -6.459 561 HD2 ARG 72 HD2 ARG 72 10.824 23.067 -4.779 562 HD3 ARG 72 HD1 ARG 72 9.425 22.563 -5.727 563 HE ARG 72 HE ARG 72 10.807 22.215 -7.521 564 HH11 ARG 72 HH11 ARG 72 12.511 24.102 -5.131 565 HH12 ARG 72 HH12 ARG 72 14.034 23.991 -5.948 566 HH21 ARG 72 HH21 ARG 72 12.809 22.068 -8.597 567 HH22 ARG 72 HH22 ARG 72 14.203 22.838 -7.916 568 H LYS 73 HN LYS 73 7.136 25.010 -5.860 569 HA LYS 73 HA LYS 73 4.838 26.335 -5.046 570 HB2 LYS 73 HB2 LYS 73 5.364 28.584 -6.224 571 HB3 LYS 73 HB1 LYS 73 5.933 28.337 -4.579 572 HG2 LYS 73 HG2 LYS 73 7.632 29.388 -5.973 573 HG3 LYS 73 HG1 LYS 73 8.154 27.800 -5.406 574 HD2 LYS 73 HD2 LYS 73 7.655 26.814 -7.542 575 HD3 LYS 73 HD1 LYS 73 6.936 28.320 -8.115 576 HE2 LYS 73 HE2 LYS 73 9.052 29.424 -8.092 577 HE3 LYS 73 HE1 LYS 73 9.813 28.067 -7.263 578 HZ1 LYS 73 HZ1 LYS 73 9.957 28.411 -9.875 579 HZ2 LYS 73 HZ2 LYS 73 8.539 27.492 -9.819 580 HZ3 LYS 73 HZ3 LYS 73 9.970 26.877 -9.161 581 H ASP 74 HN ASP 74 3.917 27.652 -7.149 582 HA ASP 74 HA ASP 74 4.711 26.536 -9.651 583 HB2 ASP 74 HB2 ASP 74 3.208 24.805 -8.259 584 HB3 ASP 74 HB1 ASP 74 1.921 25.759 -8.992 585 H ASN 75 HN ASN 75 2.743 26.975 -11.293 586 HA ASN 75 HA ASN 75 2.497 29.748 -11.465 587 HB2 ASN 75 HB2 ASN 75 2.065 27.700 -13.180 588 HB3 ASN 75 HB1 ASN 75 0.406 28.162 -12.816 589 HD21 ASN 75 HD21 ASN 75 0.724 30.889 -12.477 590 HD22 ASN 75 HD22 ASN 75 1.151 31.598 -13.993 591 H GLU 76 HN GLU 76 0.526 27.405 -9.867 592 HA GLU 76 HA GLU 76 -1.646 29.273 -9.471 593 HB2 GLU 76 HB2 GLU 76 -1.252 26.362 -9.053 594 HB3 GLU 76 HB1 GLU 76 -2.399 27.173 -7.994 595 HG2 GLU 76 HG2 GLU 76 -2.530 27.445 -10.976 596 HG3 GLU 76 HG1 GLU 76 -3.300 26.109 -10.121 597 H GLY 77 HN GLY 77 1.197 29.350 -8.215 598 HA2 GLY 77 HA2 GLY 77 2.110 30.031 -6.225 599 HA3 GLY 77 HA1 GLY 77 0.508 30.643 -5.842 600 H ASN 78 HN ASN 78 0.884 27.262 -6.481 601 HA ASN 78 HA ASN 78 0.455 26.731 -3.621 602 HB2 ASN 78 HB2 ASN 78 -1.387 25.988 -5.028 603 HB3 ASN 78 HB1 ASN 78 -0.280 25.068 -6.041 604 HD21 ASN 78 HD21 ASN 78 -0.768 23.014 -5.713 605 HD22 ASN 78 HD22 ASN 78 -0.903 22.243 -4.173 606 H GLU 79 HN GLU 79 1.559 24.542 -6.187 607 HA GLU 79 HA GLU 79 4.262 24.464 -5.655 608 HB2 GLU 79 HB2 GLU 79 4.340 22.326 -4.251 609 HB3 GLU 79 HB1 GLU 79 3.965 23.825 -3.412 610 HG2 GLU 79 HG2 GLU 79 1.494 22.821 -4.188 611 HG3 GLU 79 HG1 GLU 79 2.410 21.409 -3.664 612 H VAL 80 HN VAL 80 5.216 22.179 -6.184 613 HA VAL 80 HA VAL 80 3.714 21.179 -8.503 614 HB VAL 80 HB VAL 80 5.974 22.043 -8.966 615 HG11 VAL 80 HG11 VAL 80 6.961 19.766 -7.256 616 HG12 VAL 80 HG12 VAL 80 6.969 21.463 -6.778 617 HG13 VAL 80 HG13 VAL 80 7.948 20.927 -8.143 618 HG21 VAL 80 HG21 VAL 80 5.476 19.103 -9.359 619 HG22 VAL 80 HG22 VAL 80 6.854 19.934 -10.083 620 HG23 VAL 80 HG23 VAL 80 5.211 20.423 -10.500 621 H VAL 81 HN VAL 81 5.506 20.141 -5.655 622 HA VAL 81 HA VAL 81 5.825 18.062 -4.732 623 HB VAL 81 HB VAL 81 3.885 18.850 -3.630 624 HG11 VAL 81 HG11 VAL 81 1.608 18.458 -4.471 625 HG12 VAL 81 HG12 VAL 81 2.290 17.814 -5.964 626 HG13 VAL 81 HG13 VAL 81 2.557 19.502 -5.530 627 HG21 VAL 81 HG21 VAL 81 3.508 15.982 -4.485 628 HG22 VAL 81 HG22 VAL 81 2.668 16.740 -3.133 629 HG23 VAL 81 HG23 VAL 81 4.423 16.568 -3.096 630 HA PRO 82 HA PRO 82 5.983 15.648 -8.671 631 HB2 PRO 82 HB2 PRO 82 7.775 14.214 -6.745 632 HB3 PRO 82 HB1 PRO 82 8.010 14.534 -8.469 633 HG2 PRO 82 HG2 PRO 82 9.277 16.008 -6.681 634 HG3 PRO 82 HG1 PRO 82 8.546 16.777 -8.105 635 HD2 PRO 82 HD2 PRO 82 7.601 16.735 -5.276 636 HD3 PRO 82 HD1 PRO 82 7.485 18.030 -6.484 637 H LYS 83 HN LYS 83 3.793 14.969 -8.353 638 HA LYS 83 HA LYS 83 2.837 13.193 -6.463 639 HB2 LYS 83 HB2 LYS 83 2.005 13.174 -9.363 640 HB3 LYS 83 HB1 LYS 83 1.035 12.724 -7.967 641 HG2 LYS 83 HG2 LYS 83 0.203 14.788 -8.143 642 HG3 LYS 83 HG1 LYS 83 1.700 15.288 -7.354 643 HD2 LYS 83 HD2 LYS 83 1.843 16.651 -9.158 644 HD3 LYS 83 HD1 LYS 83 2.542 15.211 -9.901 645 HE2 LYS 83 HE2 LYS 83 0.954 15.872 -11.455 646 HE3 LYS 83 HE1 LYS 83 0.105 14.635 -10.529 647 HZ1 LYS 83 HZ1 LYS 83 -0.110 17.503 -9.844 648 HZ2 LYS 83 HZ2 LYS 83 -1.139 16.235 -9.401 649 HZ3 LYS 83 HZ3 LYS 83 -1.121 16.791 -10.999 650 HA PRO 84 HA PRO 84 5.465 9.691 -7.686 651 HB2 PRO 84 HB2 PRO 84 4.439 8.522 -5.193 652 HB3 PRO 84 HB1 PRO 84 6.105 8.859 -5.670 653 HG2 PRO 84 HG2 PRO 84 4.867 10.296 -3.770 654 HG3 PRO 84 HG1 PRO 84 6.031 11.030 -4.889 655 HD2 PRO 84 HD2 PRO 84 3.033 11.092 -4.968 656 HD3 PRO 84 HD1 PRO 84 4.192 12.410 -5.247 657 H GLN 85 HN GLN 85 5.027 7.309 -7.844 658 HA GLN 85 HA GLN 85 2.346 6.911 -8.894 659 HB2 GLN 85 HB2 GLN 85 4.558 6.185 -10.023 660 HB3 GLN 85 HB1 GLN 85 4.532 4.846 -8.884 661 HG2 GLN 85 HG2 GLN 85 2.277 4.244 -9.746 662 HG3 GLN 85 HG1 GLN 85 2.471 5.491 -10.976 663 HE21 GLN 85 HE21 GLN 85 5.064 5.199 -11.710 664 HE22 GLN 85 HE22 GLN 85 5.311 3.646 -12.427 665 H ARG 86 HN ARG 86 1.488 7.078 -6.640 666 HA ARG 86 HA ARG 86 1.964 4.845 -4.877 667 HB2 ARG 86 HB2 ARG 86 -0.186 6.955 -4.667 668 HB3 ARG 86 HB1 ARG 86 0.419 5.922 -3.380 669 HG2 ARG 86 HG2 ARG 86 2.569 7.034 -3.456 670 HG3 ARG 86 HG1 ARG 86 2.029 8.025 -4.812 671 HD2 ARG 86 HD2 ARG 86 0.396 8.050 -2.332 672 HD3 ARG 86 HD1 ARG 86 1.944 8.893 -2.306 673 HE ARG 86 HE ARG 86 0.627 9.706 -4.604 674 HH11 ARG 86 HH11 ARG 86 0.130 9.881 -1.155 675 HH12 ARG 86 HH12 ARG 86 -0.757 11.366 -1.232 676 HH21 ARG 86 HH21 ARG 86 -0.540 11.659 -4.708 677 HH22 ARG 86 HH22 ARG 86 -1.138 12.375 -3.249 678 H HIS 87 HN HIS 87 0.573 3.174 -4.401 679 HA HIS 87 HA HIS 87 -1.752 2.870 -6.189 680 HB2 HIS 87 HB2 HIS 87 -0.290 0.488 -5.110 681 HB3 HIS 87 HB1 HIS 87 -1.273 0.626 -6.562 682 HD1 HIS 87 HD1 HIS 87 -0.077 1.126 -8.718 683 HD2 HIS 87 HD2 HIS 87 2.362 1.581 -5.384 684 HE1 HIS 87 HE1 HIS 87 2.247 1.446 -9.623 685 HE2 HIS 87 HE2 HIS 87 3.717 1.640 -7.586 686 H MET 88 HN MET 88 -3.606 2.877 -5.106 687 HA MET 88 HA MET 88 -3.600 2.099 -2.269 688 HB2 MET 88 HB2 MET 88 -4.642 4.318 -3.447 689 HB3 MET 88 HB1 MET 88 -6.050 3.267 -3.425 690 HG2 MET 88 HG2 MET 88 -4.382 3.863 -1.002 691 HG3 MET 88 HG1 MET 88 -5.804 4.795 -1.458 692 HE1 MET 88 HE1 MET 88 -6.228 3.333 1.643 693 HE2 MET 88 HE2 MET 88 -7.898 3.317 1.065 694 HE3 MET 88 HE3 MET 88 -6.825 4.626 0.596 695 H PHE 89 HN PHE 89 -4.020 0.001 -2.031 696 HA PHE 89 HA PHE 89 -5.888 -1.331 -3.834 697 HB2 PHE 89 HB2 PHE 89 -3.543 -2.120 -2.421 698 HB3 PHE 89 HB1 PHE 89 -4.881 -3.094 -1.828 699 HD1 PHE 89 HD2 PHE 89 -6.519 -3.767 -3.955 700 HD2 PHE 89 HD1 PHE 89 -2.310 -3.150 -4.031 701 HE1 PHE 89 HE2 PHE 89 -6.349 -5.198 -5.949 702 HE2 PHE 89 HE1 PHE 89 -2.133 -4.577 -6.026 703 HZ PHE 89 HZ PHE 89 -4.154 -5.600 -6.984 704 H SER 90 HN SER 90 -7.894 -1.992 -3.242 705 HA SER 90 HA SER 90 -8.623 -1.758 -0.402 706 HB2 SER 90 HB2 SER 90 -9.331 0.182 -2.053 707 HB3 SER 90 HB1 SER 90 -10.609 -0.957 -2.479 708 HG SER 90 HG SER 90 -11.565 -0.442 -0.692 709 H PHE 91 HN PHE 91 -9.757 -3.402 0.388 710 HA PHE 91 HA PHE 91 -11.222 -5.138 -1.460 711 HB2 PHE 91 HB2 PHE 91 -10.268 -6.889 0.500 712 HB3 PHE 91 HB1 PHE 91 -9.769 -6.811 -1.186 713 HD1 PHE 91 HD1 PHE 91 -7.960 -4.792 -1.568 714 HD2 PHE 91 HD2 PHE 91 -8.603 -6.980 2.022 715 HE1 PHE 91 HE1 PHE 91 -5.664 -4.294 -0.851 716 HE2 PHE 91 HE2 PHE 91 -6.311 -6.489 2.731 717 HZ PHE 91 HZ PHE 91 -4.834 -5.142 1.299 718 H ASN 92 HN ASN 92 -12.632 -6.719 -0.158 719 HA ASN 92 HA ASN 92 -14.005 -5.132 1.878 720 HB2 ASN 92 HB2 ASN 92 -15.901 -6.659 1.502 721 HB3 ASN 92 HB1 ASN 92 -15.361 -5.920 -0.002 722 HD21 ASN 92 HD21 ASN 92 -14.618 -7.181 -1.620 723 HD22 ASN 92 HD22 ASN 92 -14.558 -8.906 -1.555 724 H ASN 93 HN ASN 93 -11.533 -6.577 2.449 725 HA ASN 93 HA ASN 93 -12.571 -8.366 4.535 726 HB2 ASN 93 HB2 ASN 93 -10.031 -8.762 2.947 727 HB3 ASN 93 HB1 ASN 93 -10.585 -9.786 4.269 728 HD21 ASN 93 HD21 ASN 93 -12.623 -10.906 3.975 729 HD22 ASN 93 HD22 ASN 93 -13.090 -11.401 2.387 730 H ARG 94 HN ARG 94 -12.168 -7.646 6.484 731 HA ARG 94 HA ARG 94 -10.106 -5.648 6.923 732 HB2 ARG 94 HB2 ARG 94 -11.946 -6.835 8.998 733 HB3 ARG 94 HB1 ARG 94 -11.100 -5.295 9.059 734 HG2 ARG 94 HG2 ARG 94 -12.634 -4.241 7.764 735 HG3 ARG 94 HG1 ARG 94 -13.023 -5.695 6.843 736 HD2 ARG 94 HD2 ARG 94 -14.255 -6.580 8.761 737 HD3 ARG 94 HD1 ARG 94 -13.862 -5.131 9.685 738 HE ARG 94 HE ARG 94 -15.102 -4.206 7.429 739 HH11 ARG 94 HH11 ARG 94 -15.945 -6.434 9.979 740 HH12 ARG 94 HH12 ARG 94 -17.642 -6.103 9.878 741 HH21 ARG 94 HH21 ARG 94 -17.333 -3.769 7.295 742 HH22 ARG 94 HH22 ARG 94 -18.430 -4.590 8.354 743 H THR 95 HN THR 95 -10.721 -9.014 7.540 744 HA THR 95 HA THR 95 -8.634 -9.334 9.481 745 HB THR 95 HB THR 95 -10.812 -10.791 8.903 746 HG1 THR 95 HG1 THR 95 -10.081 -11.977 10.479 747 HG21 THR 95 HG21 THR 95 -8.595 -12.316 7.561 748 HG22 THR 95 HG22 THR 95 -10.019 -11.642 6.769 749 HG23 THR 95 HG23 THR 95 -10.198 -12.937 7.952 750 H VAL 96 HN VAL 96 -9.034 -10.083 6.045 751 HA VAL 96 HA VAL 96 -6.542 -11.267 5.594 752 HB VAL 96 HB VAL 96 -8.071 -9.558 3.626 753 HG11 VAL 96 HG11 VAL 96 -6.216 -9.973 2.421 754 HG12 VAL 96 HG12 VAL 96 -6.948 -11.562 2.196 755 HG13 VAL 96 HG13 VAL 96 -5.726 -11.322 3.445 756 HG21 VAL 96 HG21 VAL 96 -9.132 -11.681 4.912 757 HG22 VAL 96 HG22 VAL 96 -8.357 -12.487 3.549 758 HG23 VAL 96 HG23 VAL 96 -9.549 -11.220 3.262 759 H MET 97 HN MET 97 -7.517 -7.907 4.867 760 HA MET 97 HA MET 97 -5.162 -6.815 4.085 761 HB2 MET 97 HB2 MET 97 -5.927 -4.697 5.273 762 HB3 MET 97 HB1 MET 97 -7.047 -5.407 4.122 763 HG2 MET 97 HG2 MET 97 -8.570 -5.253 5.721 764 HG3 MET 97 HG1 MET 97 -7.750 -6.608 6.490 765 HE1 MET 97 HE1 MET 97 -6.093 -2.580 6.884 766 HE2 MET 97 HE2 MET 97 -7.803 -2.264 7.179 767 HE3 MET 97 HE3 MET 97 -7.299 -3.076 5.695 768 H ASP 98 HN ASP 98 -6.147 -6.974 7.509 769 HA ASP 98 HA ASP 98 -3.781 -5.921 8.561 770 HB2 ASP 98 HB2 ASP 98 -6.045 -7.521 9.653 771 HB3 ASP 98 HB1 ASP 98 -4.590 -7.370 10.633 772 H ASN 99 HN ASN 99 -4.440 -9.073 7.315 773 HA ASN 99 HA ASN 99 -2.249 -10.322 8.736 774 HB2 ASN 99 HB2 ASN 99 -4.361 -11.236 6.847 775 HB3 ASN 99 HB1 ASN 99 -2.888 -12.194 6.957 776 HD21 ASN 99 HD21 ASN 99 -5.889 -11.541 8.316 777 HD22 ASN 99 HD22 ASN 99 -5.711 -12.451 9.774 778 H ILE 100 HN ILE 100 -2.966 -9.838 5.259 779 HA ILE 100 HA ILE 100 -0.445 -10.610 4.363 780 HB ILE 100 HB ILE 100 -2.412 -10.344 2.886 781 HG12 ILE 100 HG12 ILE 100 0.117 -8.877 2.122 782 HG13 ILE 100 HG11 ILE 100 -0.232 -10.585 1.883 783 HG21 ILE 100 HG21 ILE 100 -3.078 -8.206 2.058 784 HG22 ILE 100 HG22 ILE 100 -1.782 -7.405 2.945 785 HG23 ILE 100 HG23 ILE 100 -3.123 -8.145 3.821 786 HD11 ILE 100 HD11 ILE 100 -0.395 -9.162 -0.157 787 HD12 ILE 100 HD12 ILE 100 -1.794 -8.375 0.578 788 HD13 ILE 100 HD13 ILE 100 -1.841 -10.102 0.211 789 H LYS 101 HN LYS 101 -1.632 -7.303 5.057 790 HA LYS 101 HA LYS 101 0.707 -5.951 4.354 791 HB2 LYS 101 HB2 LYS 101 -1.442 -4.841 4.845 792 HB3 LYS 101 HB1 LYS 101 -1.236 -5.219 6.549 793 HG2 LYS 101 HG2 LYS 101 1.010 -3.801 5.295 794 HG3 LYS 101 HG1 LYS 101 -0.495 -2.890 5.409 795 HD2 LYS 101 HD2 LYS 101 0.701 -4.352 7.751 796 HD3 LYS 101 HD1 LYS 101 1.109 -2.679 7.367 797 HE2 LYS 101 HE2 LYS 101 -0.977 -1.898 7.918 798 HE3 LYS 101 HE1 LYS 101 -1.761 -3.439 7.556 799 HZ1 LYS 101 HZ1 LYS 101 -1.824 -3.262 9.866 800 HZ2 LYS 101 HZ2 LYS 101 -0.240 -2.679 9.975 801 HZ3 LYS 101 HZ3 LYS 101 -0.518 -4.300 9.582 802 H MET 102 HN MET 102 -0.254 -7.517 7.341 803 HA MET 102 HA MET 102 1.667 -6.682 9.111 804 HB2 MET 102 HB2 MET 102 -0.204 -8.724 9.049 805 HB3 MET 102 HB1 MET 102 1.322 -9.583 9.210 806 HG2 MET 102 HG2 MET 102 0.975 -7.268 10.988 807 HG3 MET 102 HG1 MET 102 -0.107 -8.628 11.279 808 HE1 MET 102 HE1 MET 102 0.390 -9.125 13.314 809 HE2 MET 102 HE2 MET 102 1.927 -8.642 14.030 810 HE3 MET 102 HE3 MET 102 1.592 -10.347 13.729 811 H THR 103 HN THR 103 1.992 -8.879 6.419 812 HA THR 103 HA THR 103 4.654 -9.733 7.063 813 HB THR 103 HB THR 103 3.100 -9.889 4.470 814 HG1 THR 103 HG1 THR 103 3.551 -11.857 6.460 815 HG21 THR 103 HG21 THR 103 4.633 -11.427 3.642 816 HG22 THR 103 HG22 THR 103 5.402 -11.649 5.213 817 HG23 THR 103 HG23 THR 103 5.637 -10.146 4.321 818 H LEU 104 HN LEU 104 3.226 -7.399 4.804 819 HA LEU 104 HA LEU 104 5.647 -6.556 3.626 820 HB2 LEU 104 HB2 LEU 104 2.962 -5.218 3.912 821 HB3 LEU 104 HB1 LEU 104 4.290 -4.504 3.018 822 HG LEU 104 HG LEU 104 4.291 -6.651 1.626 823 HD11 LEU 104 HD11 LEU 104 3.010 -8.234 2.614 824 HD12 LEU 104 HD12 LEU 104 1.758 -7.473 1.631 825 HD13 LEU 104 HD13 LEU 104 1.917 -7.055 3.336 826 HD21 LEU 104 HD21 LEU 104 2.136 -5.819 0.413 827 HD22 LEU 104 HD22 LEU 104 3.561 -4.783 0.487 828 HD23 LEU 104 HD23 LEU 104 2.213 -4.509 1.590 829 H GLN 105 HN GLN 105 3.640 -5.016 6.136 830 HA GLN 105 HA GLN 105 5.098 -2.799 6.717 831 HB2 GLN 105 HB2 GLN 105 2.951 -3.512 7.799 832 HB3 GLN 105 HB1 GLN 105 3.888 -4.583 8.831 833 HG2 GLN 105 HG2 GLN 105 4.853 -2.836 9.994 834 HG3 GLN 105 HG1 GLN 105 4.539 -1.673 8.707 835 HE21 GLN 105 HE21 GLN 105 2.198 -1.247 8.276 836 HE22 GLN 105 HE22 GLN 105 1.151 -1.130 9.645 837 H GLN 106 HN GLN 106 5.658 -6.021 8.136 838 HA GLN 106 HA GLN 106 7.892 -5.244 9.675 839 HB2 GLN 106 HB2 GLN 106 8.354 -7.656 9.868 840 HB3 GLN 106 HB1 GLN 106 6.665 -7.281 10.175 841 HG2 GLN 106 HG2 GLN 106 6.021 -8.093 8.026 842 HG3 GLN 106 HG1 GLN 106 7.705 -8.279 7.537 843 HE21 GLN 106 HE21 GLN 106 8.999 -9.748 8.999 844 HE22 GLN 106 HE22 GLN 106 8.226 -11.208 9.507 845 H ILE 107 HN ILE 107 7.594 -6.556 6.400 846 HA ILE 107 HA ILE 107 10.286 -7.031 5.908 847 HB ILE 107 HB ILE 107 7.851 -6.872 4.352 848 HG12 ILE 107 HG12 ILE 107 10.475 -8.286 3.895 849 HG13 ILE 107 HG11 ILE 107 9.158 -8.883 4.903 850 HG21 ILE 107 HG21 ILE 107 9.027 -6.495 2.152 851 HG22 ILE 107 HG22 ILE 107 10.351 -5.788 3.077 852 HG23 ILE 107 HG23 ILE 107 8.746 -5.057 3.132 853 HD11 ILE 107 HD11 ILE 107 8.907 -8.330 1.956 854 HD12 ILE 107 HD12 ILE 107 7.723 -9.116 3.001 855 HD13 ILE 107 HD13 ILE 107 9.257 -9.914 2.649 856 H ILE 108 HN ILE 108 8.409 -4.126 4.948 857 HA ILE 108 HA ILE 108 10.611 -2.688 4.015 858 HB ILE 108 HB ILE 108 8.331 -1.294 5.370 859 HG12 ILE 108 HG12 ILE 108 8.260 -2.564 2.623 860 HG13 ILE 108 HG11 ILE 108 7.362 -3.123 4.029 861 HG21 ILE 108 HG21 ILE 108 9.139 0.493 4.326 862 HG22 ILE 108 HG22 ILE 108 9.128 -0.340 2.771 863 HG23 ILE 108 HG23 ILE 108 10.523 -0.488 3.841 864 HD11 ILE 108 HD11 ILE 108 6.321 -0.806 4.064 865 HD12 ILE 108 HD12 ILE 108 5.821 -1.921 2.794 866 HD13 ILE 108 HD13 ILE 108 6.969 -0.632 2.434 867 H SER 109 HN SER 109 9.480 -3.292 7.212 868 HA SER 109 HA SER 109 10.976 -1.211 8.482 869 HB2 SER 109 HB2 SER 109 8.882 -2.682 9.283 870 HB3 SER 109 HB1 SER 109 10.175 -3.639 10.006 871 HG SER 109 HG SER 109 9.228 -1.157 10.695 872 H ARG 110 HN ARG 110 11.602 -4.450 7.418 873 HA ARG 110 HA ARG 110 14.104 -4.565 8.921 874 HB2 ARG 110 HB2 ARG 110 14.140 -6.852 8.551 875 HB3 ARG 110 HB1 ARG 110 12.415 -6.534 8.629 876 HG2 ARG 110 HG2 ARG 110 12.207 -6.673 6.259 877 HG3 ARG 110 HG1 ARG 110 13.957 -6.730 6.053 878 HD2 ARG 110 HD2 ARG 110 13.559 -8.953 5.919 879 HD3 ARG 110 HD1 ARG 110 13.650 -8.830 7.676 880 HE ARG 110 HE ARG 110 11.032 -8.404 7.174 881 HH11 ARG 110 HH11 ARG 110 13.260 -10.906 6.196 882 HH12 ARG 110 HH12 ARG 110 12.039 -12.131 6.103 883 HH21 ARG 110 HH21 ARG 110 9.425 -10.014 7.052 884 HH22 ARG 110 HH22 ARG 110 9.862 -11.624 6.588 885 H TYR 111 HN TYR 111 12.884 -4.563 5.588 886 HA TYR 111 HA TYR 111 15.433 -4.682 4.355 887 HB2 TYR 111 HB2 TYR 111 12.671 -3.966 3.461 888 HB3 TYR 111 HB1 TYR 111 14.027 -3.555 2.419 889 HD1 TYR 111 HD2 TYR 111 14.750 -6.499 4.270 890 HD2 TYR 111 HD1 TYR 111 12.605 -5.089 0.875 891 HE1 TYR 111 HE2 TYR 111 14.725 -8.776 3.347 892 HE2 TYR 111 HE1 TYR 111 12.574 -7.364 -0.056 893 HH TYR 111 HH TYR 111 13.016 -10.023 1.568 894 H LYS 112 HN LYS 112 13.732 -2.161 5.925 895 HA LYS 112 HA LYS 112 14.880 0.054 4.559 896 HB2 LYS 112 HB2 LYS 112 13.263 -0.390 6.990 897 HB3 LYS 112 HB1 LYS 112 14.273 1.047 7.013 898 HG2 LYS 112 HG2 LYS 112 12.326 0.394 4.817 899 HG3 LYS 112 HG1 LYS 112 11.958 1.424 6.201 900 HD2 LYS 112 HD2 LYS 112 14.067 1.899 4.096 901 HD3 LYS 112 HD1 LYS 112 12.568 2.804 4.314 902 HE2 LYS 112 HE2 LYS 112 13.395 3.433 6.598 903 HE3 LYS 112 HE1 LYS 112 14.942 2.704 6.167 904 HZ1 LYS 112 HZ1 LYS 112 13.708 4.819 4.509 905 HZ2 LYS 112 HZ2 LYS 112 15.321 4.310 4.536 906 HZ3 LYS 112 HZ3 LYS 112 14.692 5.193 5.834 907 H ASP 113 HN ASP 113 15.698 -1.704 7.511 908 HA ASP 113 HA ASP 113 17.922 -0.058 8.166 909 HB2 ASP 113 HB2 ASP 113 16.655 -1.317 9.865 910 HB3 ASP 113 HB1 ASP 113 17.230 -2.824 9.158 911 H ALA 114 HN ALA 114 17.578 -2.163 5.679 912 HA ALA 114 HA ALA 114 20.449 -2.811 5.698 913 HB1 ALA 114 HB1 ALA 114 20.068 -4.955 5.157 914 HB2 ALA 114 HB2 ALA 114 18.707 -4.557 4.107 915 HB3 ALA 114 HB3 ALA 114 18.477 -4.648 5.854 916 H ASP 115 HN ASP 115 17.631 -1.960 3.756 917 HA ASP 115 HA ASP 115 18.835 -1.903 1.237 918 HB2 ASP 115 HB2 ASP 115 16.398 -1.740 1.607 919 HB3 ASP 115 HB1 ASP 115 16.616 -0.124 2.271 920 H2 PRO 59 HT1 PRO 59 -29.250 -0.059 1.204 921 H3 PRO 59 HT2 PRO 59 -29.233 0.458 -0.358 922 HA PRO 59 HA PRO 59 -27.197 0.884 -0.389 923 HB2 PRO 59 HB2 PRO 59 -26.415 1.719 2.201 924 HB3 PRO 59 HB1 PRO 59 -26.634 2.728 0.765 925 HG2 PRO 59 HG2 PRO 59 -28.520 2.173 2.994 926 HG3 PRO 59 HG1 PRO 59 -28.335 3.637 2.012 927 HD2 PRO 59 HD2 PRO 59 -30.410 2.006 1.637 928 HD3 PRO 59 HD1 PRO 59 -29.600 2.767 0.254 929 H GLY 60 HN GLY 60 -25.834 -0.787 -0.384 930 HA2 GLY 60 HA2 GLY 60 -26.117 -2.821 1.701 931 HA3 GLY 60 HA1 GLY 60 -25.311 -3.029 0.154 932 H GLU 61 HN GLU 61 -24.829 -0.465 2.547 933 HA GLU 61 HA GLU 61 -22.989 0.220 3.693 934 HB2 GLU 61 HB2 GLU 61 -23.288 -2.355 4.371 935 HB3 GLU 61 HB1 GLU 61 -21.715 -2.463 3.593 936 HG2 GLU 61 HG2 GLU 61 -22.459 -0.713 5.924 937 HG3 GLU 61 HG1 GLU 61 -21.432 -2.146 5.956 938 H GLU 62 HN GLU 62 -22.422 1.388 1.722 939 HA GLU 62 HA GLU 62 -20.027 0.284 0.408 940 HB2 GLU 62 HB2 GLU 62 -21.984 0.683 -1.086 941 HB3 GLU 62 HB1 GLU 62 -21.911 2.389 -0.668 942 HG2 GLU 62 HG2 GLU 62 -19.367 1.960 -1.473 943 HG3 GLU 62 HG1 GLU 62 -20.239 0.815 -2.492 944 H GLU 63 HN GLU 63 -18.156 1.327 0.673 945 HA GLU 63 HA GLU 63 -18.234 3.988 1.933 946 HB2 GLU 63 HB2 GLU 63 -16.318 1.694 2.190 947 HB3 GLU 63 HB1 GLU 63 -15.807 3.329 2.576 948 HG2 GLU 63 HG2 GLU 63 -16.548 2.903 4.624 949 HG3 GLU 63 HG1 GLU 63 -18.161 3.119 3.946 950 H ASP 64 HN ASP 64 -18.450 3.621 -0.889 951 HA ASP 64 HA ASP 64 -15.846 4.232 -2.005 952 HB2 ASP 64 HB2 ASP 64 -18.521 4.316 -3.409 953 HB3 ASP 64 HB1 ASP 64 -16.927 4.186 -4.147 954 H ASP 65 HN ASP 65 -16.206 6.116 -0.201 955 HA ASP 65 HA ASP 65 -16.099 8.521 -1.636 956 HB2 ASP 65 HB2 ASP 65 -18.696 7.809 -1.399 957 HB3 ASP 65 HB1 ASP 65 -18.489 8.704 0.104 958 H GLU 66 HN GLU 66 -14.308 8.946 -0.438 959 HA GLU 66 HA GLU 66 -12.985 9.426 1.359 960 HB2 GLU 66 HB2 GLU 66 -13.773 11.236 2.717 961 HB3 GLU 66 HB1 GLU 66 -14.386 11.472 1.088 962 HG2 GLU 66 HG2 GLU 66 -16.130 10.046 3.014 963 HG3 GLU 66 HG1 GLU 66 -15.897 11.777 3.239 964 H ARG 67 HN ARG 67 -14.178 6.899 1.592 965 HA ARG 67 HA ARG 67 -14.329 6.665 4.487 966 HB2 ARG 67 HB2 ARG 67 -16.142 5.380 2.468 967 HB3 ARG 67 HB1 ARG 67 -15.958 4.742 4.096 968 HG2 ARG 67 HG2 ARG 67 -17.181 6.388 5.026 969 HG3 ARG 67 HG1 ARG 67 -16.573 7.616 3.913 970 HD2 ARG 67 HD2 ARG 67 -18.614 7.507 2.995 971 HD3 ARG 67 HD1 ARG 67 -18.026 6.024 2.244 972 HE ARG 67 HE ARG 67 -19.412 4.816 3.613 973 HH11 ARG 67 HH11 ARG 67 -19.184 8.083 4.821 974 HH12 ARG 67 HH12 ARG 67 -20.442 7.870 5.992 975 HH21 ARG 67 HH21 ARG 67 -21.068 4.536 5.152 976 HH22 ARG 67 HH22 ARG 67 -21.511 5.857 6.180 977 H GLY 68 HN GLY 68 -14.403 4.444 1.764 978 HA2 GLY 68 HA2 GLY 68 -12.507 2.692 3.026 979 HA3 GLY 68 HA1 GLY 68 -13.274 2.440 1.469 980 H ALA 69 HN ALA 69 -11.771 5.490 1.995 981 HA ALA 69 HA ALA 69 -9.187 4.737 0.985 982 HB1 ALA 69 HB1 ALA 69 -9.313 5.443 -1.163 983 HB2 ALA 69 HB2 ALA 69 -10.518 6.680 -0.801 984 HB3 ALA 69 HB3 ALA 69 -11.006 4.993 -0.959 985 H ASP 70 HN ASP 70 -9.960 6.011 3.355 986 HA ASP 70 HA ASP 70 -8.379 8.382 3.203 987 HB2 ASP 70 HB2 ASP 70 -10.577 9.165 2.315 988 HB3 ASP 70 HB1 ASP 70 -11.295 8.771 3.873 989 H ALA 71 HN ALA 71 -7.658 6.474 4.709 990 HA ALA 71 HA ALA 71 -7.610 7.441 7.336 991 HB1 ALA 71 HB1 ALA 71 -8.941 5.937 8.581 992 HB2 ALA 71 HB2 ALA 71 -9.241 4.927 7.161 993 HB3 ALA 71 HB3 ALA 71 -9.975 6.527 7.272 994 H THR 72 HN THR 72 -5.831 6.496 5.348 995 HA THR 72 HA THR 72 -4.586 4.322 6.857 996 HB THR 72 HB THR 72 -4.725 4.430 3.858 997 HG1 THR 72 HG1 THR 72 -6.680 3.857 5.141 998 HG21 THR 72 HG21 THR 72 -4.132 1.894 4.441 999 HG22 THR 72 HG22 THR 72 -3.285 2.716 5.748 1000 HG23 THR 72 HG23 THR 72 -2.918 3.118 4.075 1001 H TRP 73 HN TRP 73 -4.252 7.387 5.526 1002 HA TRP 73 HA TRP 73 -1.372 7.136 5.107 1003 HB2 TRP 73 HB2 TRP 73 -2.736 9.783 4.929 1004 HB3 TRP 73 HB1 TRP 73 -1.442 9.119 3.938 1005 HD1 TRP 73 HD1 TRP 73 -4.332 10.451 2.968 1006 HE1 TRP 73 HE1 TRP 73 -5.720 9.107 1.267 1007 HE3 TRP 73 HE3 TRP 73 -2.243 5.877 3.686 1008 HZ2 TRP 73 HZ2 TRP 73 -5.892 6.426 0.363 1009 HZ3 TRP 73 HZ3 TRP 73 -3.072 3.965 2.383 1010 HH2 TRP 73 HH2 TRP 73 -4.843 4.242 0.772 1011 H ASP 74 HN ASP 74 -2.134 6.616 7.673 1012 HA ASP 74 HA ASP 74 -0.708 8.659 9.123 1013 HB2 ASP 74 HB2 ASP 74 -3.226 9.266 9.040 1014 HB3 ASP 74 HB1 ASP 74 -3.445 7.913 10.144 1015 H LEU 75 HN LEU 75 -0.576 5.706 8.441 1016 HA LEU 75 HA LEU 75 0.129 4.829 11.122 1017 HB2 LEU 75 HB2 LEU 75 -0.998 2.603 10.713 1018 HB3 LEU 75 HB1 LEU 75 -2.042 3.954 11.106 1019 HG LEU 75 HG LEU 75 -2.959 2.487 9.335 1020 HD11 LEU 75 HD11 LEU 75 -2.386 5.045 7.976 1021 HD12 LEU 75 HD12 LEU 75 -3.200 5.106 9.536 1022 HD13 LEU 75 HD13 LEU 75 -3.915 4.207 8.199 1023 HD21 LEU 75 HD21 LEU 75 -1.978 2.671 7.059 1024 HD22 LEU 75 HD22 LEU 75 -0.961 1.787 8.201 1025 HD23 LEU 75 HD23 LEU 75 -0.572 3.455 7.774 1026 H ASP 76 HN ASP 76 1.229 5.314 8.203 1027 HA ASP 76 HA ASP 76 2.633 2.759 7.979 1028 HB2 ASP 76 HB2 ASP 76 1.542 3.310 5.935 1029 HB3 ASP 76 HB1 ASP 76 2.157 4.959 5.977 1030 H LEU 77 HN LEU 77 3.130 6.213 8.098 1031 HA LEU 77 HA LEU 77 5.904 6.233 7.835 1032 HB2 LEU 77 HB2 LEU 77 4.447 8.259 9.475 1033 HB3 LEU 77 HB1 LEU 77 5.833 8.483 8.423 1034 HG LEU 77 HG LEU 77 4.140 9.456 7.199 1035 HD11 LEU 77 HD11 LEU 77 4.216 8.308 5.280 1036 HD12 LEU 77 HD12 LEU 77 3.469 6.880 5.997 1037 HD13 LEU 77 HD13 LEU 77 5.200 7.159 6.188 1038 HD21 LEU 77 HD21 LEU 77 2.020 9.225 7.779 1039 HD22 LEU 77 HD22 LEU 77 2.478 7.891 8.839 1040 HD23 LEU 77 HD23 LEU 77 2.020 7.570 7.169 1041 H LEU 78 HN LEU 78 6.440 4.367 9.197 1042 HA LEU 78 HA LEU 78 7.711 5.050 11.551 1043 HB2 LEU 78 HB2 LEU 78 6.265 3.876 13.222 1044 HB3 LEU 78 HB1 LEU 78 5.639 5.404 12.636 1045 HG LEU 78 HG LEU 78 4.516 3.531 10.921 1046 HD11 LEU 78 HD11 LEU 78 5.357 2.099 13.139 1047 HD12 LEU 78 HD12 LEU 78 4.149 1.599 11.956 1048 HD13 LEU 78 HD13 LEU 78 3.647 2.406 13.442 1049 HD21 LEU 78 HD21 LEU 78 3.660 5.316 13.087 1050 HD22 LEU 78 HD22 LEU 78 2.547 3.996 12.728 1051 HD23 LEU 78 HD23 LEU 78 3.022 5.119 11.455 1052 H LEU 79 HN LEU 79 9.032 3.709 10.045 1053 HA LEU 79 HA LEU 79 8.580 0.834 10.493 1054 HB2 LEU 79 HB2 LEU 79 9.926 2.301 8.235 1055 HB3 LEU 79 HB1 LEU 79 10.142 0.580 8.492 1056 HG LEU 79 HG LEU 79 7.364 1.646 8.278 1057 HD11 LEU 79 HD11 LEU 79 8.115 2.689 6.367 1058 HD12 LEU 79 HD12 LEU 79 7.665 1.098 5.752 1059 HD13 LEU 79 HD13 LEU 79 9.359 1.476 6.065 1060 HD21 LEU 79 HD21 LEU 79 8.655 -0.897 7.302 1061 HD22 LEU 79 HD22 LEU 79 6.931 -0.532 7.345 1062 HD23 LEU 79 HD23 LEU 79 7.831 -0.716 8.851 1063 H THR 80 HN THR 80 11.537 2.449 9.415 1064 HA THR 80 HA THR 80 12.921 1.248 11.680 1065 HB THR 80 HB THR 80 14.984 1.595 10.321 1066 HG1 THR 80 HG1 THR 80 14.895 2.659 8.520 1067 HG21 THR 80 HG21 THR 80 14.593 -0.118 8.661 1068 HG22 THR 80 HG22 THR 80 12.849 0.064 8.856 1069 HG23 THR 80 HG23 THR 80 13.825 -0.555 10.187 1070 H ASN 81 HN ASN 81 14.508 2.447 12.839 1071 HA ASN 81 HA ASN 81 14.358 5.363 12.522 1072 HB2 ASN 81 HB2 ASN 81 14.289 4.006 15.218 1073 HB3 ASN 81 HB1 ASN 81 14.054 5.715 14.867 1074 HD21 ASN 81 HD21 ASN 81 12.607 2.612 15.035 1075 HD22 ASN 81 HD22 ASN 81 10.991 3.101 14.670 1076 H PHE 82 HN PHE 82 15.988 6.136 14.565 1077 HA PHE 82 HA PHE 82 18.566 5.116 13.653 1078 HB2 PHE 82 HB2 PHE 82 17.733 7.658 14.021 1079 HB3 PHE 82 HB1 PHE 82 18.461 7.351 15.594 1080 HD1 PHE 82 HD2 PHE 82 19.094 7.559 11.980 1081 HD2 PHE 82 HD1 PHE 82 20.821 7.152 15.849 1082 HE1 PHE 82 HE2 PHE 82 21.319 8.007 11.030 1083 HE2 PHE 82 HE1 PHE 82 23.049 7.600 14.906 1084 HZ PHE 82 HZ PHE 82 23.300 8.028 12.493 1085 H SER 83 HN SER 83 16.538 5.212 16.480 1086 HA SER 83 HA SER 83 18.667 3.975 18.084 1087 HB2 SER 83 HB2 SER 83 17.388 6.050 18.908 1088 HB3 SER 83 HB1 SER 83 16.026 4.956 19.155 1089 HG SER 83 HG SER 83 17.029 4.814 21.044 1090 H GLY 84 HN GLY 84 17.385 2.544 19.917 1091 HA2 GLY 84 HA2 GLY 84 15.464 0.787 18.584 1092 HA3 GLY 84 HA1 GLY 84 16.992 0.076 19.080 1093 HA PRO 85 HA PRO 85 14.222 1.528 22.969 1094 HB2 PRO 85 HB2 PRO 85 11.793 0.286 21.768 1095 HB3 PRO 85 HB1 PRO 85 11.930 1.690 22.833 1096 HG2 PRO 85 HG2 PRO 85 11.461 2.004 20.232 1097 HG3 PRO 85 HG1 PRO 85 12.542 3.109 21.102 1098 HD2 PRO 85 HD2 PRO 85 13.209 0.890 19.222 1099 HD3 PRO 85 HD1 PRO 85 14.013 2.456 19.453 Start of MODEL 7 1 H2 PRO 1 HT1 PRO 1 -2.818 -17.317 3.399 2 H3 PRO 1 HT2 PRO 1 -2.717 -18.943 3.178 3 HA PRO 1 HA PRO 1 -1.186 -18.714 4.586 4 HB2 PRO 1 HB2 PRO 1 0.972 -18.199 2.938 5 HB3 PRO 1 HB1 PRO 1 0.163 -19.763 3.094 6 HG2 PRO 1 HG2 PRO 1 0.183 -18.049 0.819 7 HG3 PRO 1 HG1 PRO 1 -0.718 -19.559 1.024 8 HD2 PRO 1 HD2 PRO 1 -1.631 -16.739 1.398 9 HD3 PRO 1 HD1 PRO 1 -2.544 -18.156 0.842 10 H SER 2 HN SER 2 -2.455 -16.138 4.418 11 HA SER 2 HA SER 2 -2.162 -14.048 5.273 12 HB2 SER 2 HB2 SER 2 -0.324 -15.462 6.624 13 HB3 SER 2 HB1 SER 2 0.754 -14.382 5.740 14 HG SER 2 HG SER 2 -0.022 -13.613 7.838 15 H HIS 3 HN HIS 3 0.954 -14.801 3.700 16 HA HIS 3 HA HIS 3 1.318 -12.277 2.569 17 HB2 HIS 3 HB2 HIS 3 2.332 -14.854 1.365 18 HB3 HIS 3 HB1 HIS 3 3.050 -13.254 1.229 19 HD1 HIS 3 HD1 HIS 3 2.483 -15.979 3.800 20 HD2 HIS 3 HD2 HIS 3 4.898 -12.661 3.150 21 HE1 HIS 3 HE1 HIS 3 4.204 -16.031 5.631 22 HE2 HIS 3 HE2 HIS 3 5.704 -14.061 5.169 23 H SER 4 HN SER 4 -0.316 -15.113 1.336 24 HA SER 4 HA SER 4 -1.006 -13.637 -1.093 25 HB2 SER 4 HB2 SER 4 -1.716 -16.515 -0.580 26 HB3 SER 4 HB1 SER 4 -1.578 -15.671 -2.126 27 HG SER 4 HG SER 4 0.526 -16.373 -0.350 28 H GLY 5 HN GLY 5 -2.944 -12.894 -1.488 29 HA2 GLY 5 HA2 GLY 5 -5.311 -13.907 -0.187 30 HA3 GLY 5 HA1 GLY 5 -4.837 -12.291 0.333 31 H ALA 6 HN ALA 6 -7.181 -12.186 -0.747 32 HA ALA 6 HA ALA 6 -6.801 -11.660 -3.610 33 HB1 ALA 6 HB1 ALA 6 -9.308 -12.144 -2.018 34 HB2 ALA 6 HB2 ALA 6 -8.595 -13.175 -3.260 35 HB3 ALA 6 HB3 ALA 6 -9.299 -11.619 -3.703 36 H ALA 7 HN ALA 7 -7.157 -9.714 -4.488 37 HA ALA 7 HA ALA 7 -8.214 -7.532 -2.879 38 HB1 ALA 7 HB1 ALA 7 -6.338 -6.215 -2.828 39 HB2 ALA 7 HB2 ALA 7 -5.616 -7.003 -4.231 40 HB3 ALA 7 HB3 ALA 7 -5.609 -7.812 -2.664 41 H ILE 8 HN ILE 8 -8.589 -5.564 -4.199 42 HA ILE 8 HA ILE 8 -8.748 -6.197 -7.067 43 HB ILE 8 HB ILE 8 -10.926 -4.923 -5.413 44 HG12 ILE 8 HG12 ILE 8 -11.398 -7.287 -7.132 45 HG13 ILE 8 HG11 ILE 8 -10.418 -7.559 -5.692 46 HG21 ILE 8 HG21 ILE 8 -10.404 -5.020 -8.330 47 HG22 ILE 8 HG22 ILE 8 -11.209 -3.779 -7.367 48 HG23 ILE 8 HG23 ILE 8 -12.069 -5.259 -7.796 49 HD11 ILE 8 HD11 ILE 8 -12.396 -6.228 -4.549 50 HD12 ILE 8 HD12 ILE 8 -12.473 -7.968 -4.830 51 HD13 ILE 8 HD13 ILE 8 -13.283 -6.860 -5.937 52 H PHE 9 HN PHE 9 -8.481 -4.547 -8.487 53 HA PHE 9 HA PHE 9 -8.100 -1.834 -7.502 54 HB2 PHE 9 HB2 PHE 9 -5.872 -2.996 -7.380 55 HB3 PHE 9 HB1 PHE 9 -5.954 -3.214 -9.125 56 HD1 PHE 9 HD2 PHE 9 -6.413 -1.012 -10.475 57 HD2 PHE 9 HD1 PHE 9 -4.770 -1.155 -6.557 58 HE1 PHE 9 HE2 PHE 9 -5.425 1.220 -10.814 59 HE2 PHE 9 HE1 PHE 9 -3.782 1.076 -6.880 60 HZ PHE 9 HZ PHE 9 -4.108 2.266 -9.013 61 H GLU 10 HN GLU 10 -8.462 -0.261 -9.060 62 HA GLU 10 HA GLU 10 -9.534 0.611 -10.869 63 HB2 GLU 10 HB2 GLU 10 -7.419 -1.149 -11.912 64 HB3 GLU 10 HB1 GLU 10 -8.679 -0.756 -13.071 65 HG2 GLU 10 HG2 GLU 10 -8.262 1.541 -12.922 66 HG3 GLU 10 HG1 GLU 10 -7.296 1.353 -11.459 67 H LYS 11 HN LYS 11 -10.983 -1.380 -9.502 68 HA LYS 11 HA LYS 11 -12.916 -2.555 -9.701 69 HB2 LYS 11 HB2 LYS 11 -13.219 -2.022 -12.604 70 HB3 LYS 11 HB1 LYS 11 -14.398 -1.891 -11.308 71 HG2 LYS 11 HG2 LYS 11 -13.011 0.171 -10.580 72 HG3 LYS 11 HG1 LYS 11 -12.364 0.103 -12.222 73 HD2 LYS 11 HD2 LYS 11 -14.303 0.797 -13.150 74 HD3 LYS 11 HD1 LYS 11 -15.295 -0.109 -12.005 75 HE2 LYS 11 HE2 LYS 11 -14.713 1.608 -10.278 76 HE3 LYS 11 HE1 LYS 11 -13.941 2.545 -11.556 77 HZ1 LYS 11 HZ1 LYS 11 -16.238 2.271 -12.702 78 HZ2 LYS 11 HZ2 LYS 11 -16.032 3.449 -11.506 79 HZ3 LYS 11 HZ3 LYS 11 -16.794 1.987 -11.129 80 H VAL 12 HN VAL 12 -10.163 -3.601 -10.680 81 HA VAL 12 HA VAL 12 -11.239 -5.957 -12.096 82 HB VAL 12 HB VAL 12 -8.348 -5.124 -12.188 83 HG11 VAL 12 HG11 VAL 12 -8.230 -6.580 -14.085 84 HG12 VAL 12 HG12 VAL 12 -9.980 -6.791 -14.096 85 HG13 VAL 12 HG13 VAL 12 -9.020 -7.457 -12.775 86 HG21 VAL 12 HG21 VAL 12 -9.081 -3.289 -13.289 87 HG22 VAL 12 HG22 VAL 12 -10.646 -4.008 -13.668 88 HG23 VAL 12 HG23 VAL 12 -9.228 -4.424 -14.631 89 H SER 13 HN SER 13 -11.211 -7.780 -10.953 90 HA SER 13 HA SER 13 -9.820 -7.831 -8.430 91 HB2 SER 13 HB2 SER 13 -10.949 -10.006 -8.095 92 HB3 SER 13 HB1 SER 13 -12.080 -8.720 -8.516 93 HG SER 13 HG SER 13 -11.877 -11.004 -9.700 94 H GLY 14 HN GLY 14 -8.481 -9.507 -7.718 95 HA2 GLY 14 HA2 GLY 14 -7.242 -11.390 -9.446 96 HA3 GLY 14 HA1 GLY 14 -6.234 -9.958 -9.259 97 H ILE 15 HN ILE 15 -4.943 -11.980 -8.339 98 HA ILE 15 HA ILE 15 -5.574 -12.207 -5.471 99 HB ILE 15 HB ILE 15 -3.566 -13.951 -6.869 100 HG12 ILE 15 HG12 ILE 15 -5.707 -15.578 -6.767 101 HG13 ILE 15 HG11 ILE 15 -6.531 -14.048 -7.051 102 HG21 ILE 15 HG21 ILE 15 -3.359 -14.314 -4.608 103 HG22 ILE 15 HG22 ILE 15 -4.589 -15.512 -5.013 104 HG23 ILE 15 HG23 ILE 15 -5.064 -13.975 -4.292 105 HD11 ILE 15 HD11 ILE 15 -5.839 -15.514 -9.057 106 HD12 ILE 15 HD12 ILE 15 -4.228 -14.856 -8.770 107 HD13 ILE 15 HD13 ILE 15 -5.572 -13.772 -9.131 108 H ILE 16 HN ILE 16 -4.198 -11.494 -3.992 109 HA ILE 16 HA ILE 16 -1.817 -10.072 -4.937 110 HB ILE 16 HB ILE 16 -3.495 -8.720 -3.796 111 HG12 ILE 16 HG12 ILE 16 -1.248 -8.954 -1.828 112 HG13 ILE 16 HG11 ILE 16 -0.929 -8.423 -3.477 113 HG21 ILE 16 HG21 ILE 16 -3.747 -9.114 -1.276 114 HG22 ILE 16 HG22 ILE 16 -3.170 -10.744 -1.618 115 HG23 ILE 16 HG23 ILE 16 -4.647 -10.152 -2.383 116 HD11 ILE 16 HD11 ILE 16 -2.351 -7.052 -1.281 117 HD12 ILE 16 HD12 ILE 16 -2.956 -6.800 -2.922 118 HD13 ILE 16 HD13 ILE 16 -1.281 -6.404 -2.526 119 H ALA 17 HN ALA 17 0.207 -10.646 -4.208 120 HA ALA 17 HA ALA 17 0.426 -12.458 -1.915 121 HB1 ALA 17 HB1 ALA 17 1.784 -13.113 -4.513 122 HB2 ALA 17 HB2 ALA 17 0.217 -13.784 -4.053 123 HB3 ALA 17 HB3 ALA 17 1.643 -14.120 -3.070 124 H ILE 18 HN ILE 18 2.246 -12.202 -0.722 125 HA ILE 18 HA ILE 18 4.086 -10.072 -1.521 126 HB ILE 18 HB ILE 18 4.249 -11.516 1.101 127 HG12 ILE 18 HG12 ILE 18 1.923 -10.994 1.032 128 HG13 ILE 18 HG11 ILE 18 2.687 -9.745 2.010 129 HG21 ILE 18 HG21 ILE 18 6.012 -10.010 0.786 130 HG22 ILE 18 HG22 ILE 18 4.865 -9.145 1.808 131 HG23 ILE 18 HG23 ILE 18 4.956 -8.783 0.085 132 HD11 ILE 18 HD11 ILE 18 1.775 -9.509 -0.845 133 HD12 ILE 18 HD12 ILE 18 2.683 -8.268 0.019 134 HD13 ILE 18 HD13 ILE 18 1.074 -8.729 0.573 135 H ASN 19 HN ASN 19 5.643 -10.817 -2.841 136 HA ASN 19 HA ASN 19 6.811 -13.437 -2.548 137 HB2 ASN 19 HB2 ASN 19 6.458 -12.211 -4.746 138 HB3 ASN 19 HB1 ASN 19 7.815 -11.188 -4.287 139 HD21 ASN 19 HD21 ASN 19 7.290 -13.314 -6.408 140 HD22 ASN 19 HD22 ASN 19 8.683 -14.331 -6.317 141 H GLU 20 HN GLU 20 8.176 -13.854 -0.982 142 HA GLU 20 HA GLU 20 10.169 -11.810 -0.276 143 HB2 GLU 20 HB2 GLU 20 10.351 -13.183 1.893 144 HB3 GLU 20 HB1 GLU 20 8.929 -12.170 1.687 145 HG2 GLU 20 HG2 GLU 20 7.525 -13.922 1.592 146 HG3 GLU 20 HG1 GLU 20 8.672 -14.932 0.711 147 H ASP 21 HN ASP 21 10.256 -13.711 -2.437 148 HA ASP 21 HA ASP 21 12.437 -15.491 -1.586 149 HB2 ASP 21 HB2 ASP 21 10.768 -15.563 -4.110 150 HB3 ASP 21 HB1 ASP 21 12.021 -16.722 -3.675 151 H VAL 22 HN VAL 22 11.727 -12.675 -3.422 152 HA VAL 22 HA VAL 22 14.296 -12.831 -4.835 153 HB VAL 22 HB VAL 22 13.134 -10.441 -5.609 154 HG11 VAL 22 HG11 VAL 22 12.476 -12.828 -7.220 155 HG12 VAL 22 HG12 VAL 22 14.177 -12.583 -6.822 156 HG13 VAL 22 HG13 VAL 22 13.283 -11.329 -7.682 157 HG21 VAL 22 HG21 VAL 22 11.040 -11.082 -4.471 158 HG22 VAL 22 HG22 VAL 22 10.953 -12.521 -5.487 159 HG23 VAL 22 HG23 VAL 22 10.843 -10.918 -6.215 160 H SER 23 HN SER 23 15.503 -10.671 -4.990 161 HA SER 23 HA SER 23 16.466 -9.945 -2.512 162 HB2 SER 23 HB2 SER 23 16.827 -7.653 -4.074 163 HB3 SER 23 HB1 SER 23 17.950 -9.000 -3.900 164 HG SER 23 HG SER 23 17.251 -9.851 -5.767 165 HA PRO 24 HA PRO 24 13.652 -6.151 -2.176 166 HB2 PRO 24 HB2 PRO 24 12.095 -5.337 -4.193 167 HB3 PRO 24 HB1 PRO 24 13.818 -4.925 -4.140 168 HG2 PRO 24 HG2 PRO 24 12.427 -7.049 -5.722 169 HG3 PRO 24 HG1 PRO 24 13.744 -5.969 -6.214 170 HD2 PRO 24 HD2 PRO 24 14.096 -8.585 -5.421 171 HD3 PRO 24 HD1 PRO 24 15.347 -7.331 -5.325 172 H ALA 25 HN ALA 25 12.611 -7.761 -0.873 173 HA ALA 25 HA ALA 25 10.602 -9.497 -1.559 174 HB1 ALA 25 HB1 ALA 25 9.682 -8.567 0.840 175 HB2 ALA 25 HB2 ALA 25 11.396 -8.151 0.902 176 HB3 ALA 25 HB3 ALA 25 10.901 -9.822 0.625 177 H GLU 26 HN GLU 26 9.279 -8.789 -3.102 178 HA GLU 26 HA GLU 26 7.516 -6.525 -2.473 179 HB2 GLU 26 HB2 GLU 26 7.236 -6.345 -4.964 180 HB3 GLU 26 HB1 GLU 26 8.839 -5.946 -4.343 181 HG2 GLU 26 HG2 GLU 26 9.128 -7.226 -6.319 182 HG3 GLU 26 HG1 GLU 26 9.556 -8.260 -4.957 183 H LEU 27 HN LEU 27 5.377 -6.662 -3.739 184 HA LEU 27 HA LEU 27 4.391 -9.401 -3.706 185 HB2 LEU 27 HB2 LEU 27 2.422 -8.783 -2.555 186 HB3 LEU 27 HB1 LEU 27 3.744 -8.067 -1.657 187 HG LEU 27 HG LEU 27 2.160 -6.496 -3.679 188 HD11 LEU 27 HD11 LEU 27 0.820 -5.641 -1.833 189 HD12 LEU 27 HD12 LEU 27 1.614 -6.763 -0.728 190 HD13 LEU 27 HD13 LEU 27 0.597 -7.380 -2.030 191 HD21 LEU 27 HD21 LEU 27 2.944 -4.684 -1.970 192 HD22 LEU 27 HD22 LEU 27 4.055 -5.283 -3.202 193 HD23 LEU 27 HD23 LEU 27 4.159 -5.892 -1.551 194 H THR 28 HN THR 28 3.173 -9.965 -5.441 195 HA THR 28 HA THR 28 2.482 -7.764 -7.254 196 HB THR 28 HB THR 28 3.319 -10.563 -7.922 197 HG1 THR 28 HG1 THR 28 4.920 -8.902 -7.480 198 HG21 THR 28 HG21 THR 28 3.044 -10.082 -10.240 199 HG22 THR 28 HG22 THR 28 2.492 -8.448 -9.873 200 HG23 THR 28 HG23 THR 28 1.500 -9.835 -9.424 201 H TRP 29 HN TRP 29 0.611 -7.813 -8.372 202 HA TRP 29 HA TRP 29 -1.471 -9.543 -7.208 203 HB2 TRP 29 HB2 TRP 29 -1.638 -7.210 -6.521 204 HB3 TRP 29 HB1 TRP 29 -1.636 -6.698 -8.204 205 HD1 TRP 29 HD1 TRP 29 -3.872 -8.242 -5.546 206 HE1 TRP 29 HE1 TRP 29 -6.301 -8.133 -6.356 207 HE3 TRP 29 HE3 TRP 29 -3.039 -6.687 -10.347 208 HZ2 TRP 29 HZ2 TRP 29 -7.696 -7.469 -8.714 209 HZ3 TRP 29 HZ3 TRP 29 -4.998 -6.347 -11.812 210 HH2 TRP 29 HH2 TRP 29 -7.267 -6.730 -11.016 211 H ARG 30 HN ARG 30 -2.020 -11.061 -8.666 212 HA ARG 30 HA ARG 30 -2.126 -10.323 -11.505 213 HB2 ARG 30 HB2 ARG 30 -0.793 -12.338 -10.724 214 HB3 ARG 30 HB1 ARG 30 -2.332 -13.100 -10.346 215 HG2 ARG 30 HG2 ARG 30 -2.953 -12.630 -12.782 216 HG3 ARG 30 HG1 ARG 30 -1.231 -12.330 -13.023 217 HD2 ARG 30 HD2 ARG 30 -1.906 -14.806 -11.577 218 HD3 ARG 30 HD1 ARG 30 -2.398 -14.755 -13.269 219 HE ARG 30 HE ARG 30 0.212 -13.902 -13.243 220 HH11 ARG 30 HH11 ARG 30 -1.494 -16.776 -12.239 221 HH12 ARG 30 HH12 ARG 30 -0.147 -17.826 -12.524 222 HH21 ARG 30 HH21 ARG 30 1.984 -15.282 -13.619 223 HH22 ARG 30 HH22 ARG 30 1.828 -16.979 -13.307 224 H SER 31 HN SER 31 -4.030 -9.966 -12.454 225 HA SER 31 HA SER 31 -6.462 -9.862 -11.209 226 HB2 SER 31 HB2 SER 31 -5.543 -9.460 -13.801 227 HB3 SER 31 HB1 SER 31 -6.781 -10.701 -13.980 228 HG SER 31 HG SER 31 -8.020 -8.977 -13.969 229 H THR 32 HN THR 32 -8.426 -11.180 -11.523 230 HA THR 32 HA THR 32 -7.979 -13.858 -10.725 231 HB THR 32 HB THR 32 -10.608 -13.844 -11.413 232 HG1 THR 32 HG1 THR 32 -10.354 -11.664 -12.199 233 HG21 THR 32 HG21 THR 32 -9.347 -13.984 -9.093 234 HG22 THR 32 HG22 THR 32 -11.081 -13.680 -9.206 235 HG23 THR 32 HG23 THR 32 -9.965 -12.339 -8.949 236 H ASP 33 HN ASP 33 -8.666 -12.342 -13.768 237 HA ASP 33 HA ASP 33 -9.088 -14.867 -15.104 238 HB2 ASP 33 HB2 ASP 33 -10.424 -12.836 -15.690 239 HB3 ASP 33 HB1 ASP 33 -8.949 -12.107 -16.317 240 H GLY 34 HN GLY 34 -6.549 -12.633 -14.505 241 HA2 GLY 34 HA2 GLY 34 -4.267 -13.116 -14.809 242 HA3 GLY 34 HA1 GLY 34 -4.707 -14.342 -15.988 243 H ASP 35 HN ASP 35 -6.408 -11.506 -16.568 244 HA ASP 35 HA ASP 35 -4.934 -11.006 -18.959 245 HB2 ASP 35 HB2 ASP 35 -7.397 -10.805 -18.853 246 HB3 ASP 35 HB1 ASP 35 -7.220 -9.436 -17.759 247 H LYS 36 HN LYS 36 -4.801 -9.813 -15.758 248 HA LYS 36 HA LYS 36 -2.785 -7.881 -16.560 249 HB2 LYS 36 HB2 LYS 36 -3.727 -6.049 -15.403 250 HB3 LYS 36 HB1 LYS 36 -4.998 -6.704 -16.422 251 HG2 LYS 36 HG2 LYS 36 -6.069 -7.723 -14.558 252 HG3 LYS 36 HG1 LYS 36 -4.709 -7.339 -13.499 253 HD2 LYS 36 HD2 LYS 36 -6.438 -5.304 -14.893 254 HD3 LYS 36 HD1 LYS 36 -6.633 -5.805 -13.212 255 HE2 LYS 36 HE2 LYS 36 -5.293 -4.044 -12.795 256 HE3 LYS 36 HE1 LYS 36 -4.008 -5.166 -13.240 257 HZ1 LYS 36 HZ1 LYS 36 -5.109 -2.910 -14.737 258 HZ2 LYS 36 HZ2 LYS 36 -4.593 -4.253 -15.625 259 HZ3 LYS 36 HZ3 LYS 36 -3.509 -3.445 -14.609 260 H VAL 37 HN VAL 37 -1.259 -7.427 -14.985 261 HA VAL 37 HA VAL 37 -1.542 -8.664 -12.369 262 HB VAL 37 HB VAL 37 -0.533 -10.484 -13.480 263 HG11 VAL 37 HG11 VAL 37 0.067 -9.425 -15.551 264 HG12 VAL 37 HG12 VAL 37 1.483 -10.248 -14.895 265 HG13 VAL 37 HG13 VAL 37 1.338 -8.496 -14.755 266 HG21 VAL 37 HG21 VAL 37 1.266 -10.837 -12.143 267 HG22 VAL 37 HG22 VAL 37 0.672 -9.364 -11.376 268 HG23 VAL 37 HG23 VAL 37 2.001 -9.282 -12.532 269 H HIS 38 HN HIS 38 -0.974 -7.156 -10.928 270 HA HIS 38 HA HIS 38 0.998 -5.135 -11.747 271 HB2 HIS 38 HB2 HIS 38 -1.327 -4.387 -11.094 272 HB3 HIS 38 HB1 HIS 38 -0.961 -4.927 -9.458 273 HD1 HIS 38 HD1 HIS 38 -1.432 -2.288 -8.976 274 HD2 HIS 38 HD2 HIS 38 2.077 -3.238 -10.989 275 HE1 HIS 38 HE1 HIS 38 0.039 -0.261 -8.755 276 HE2 HIS 38 HE2 HIS 38 2.123 -0.827 -10.054 277 H THR 39 HN THR 39 2.930 -5.620 -11.074 278 HA THR 39 HA THR 39 3.409 -7.014 -8.525 279 HB THR 39 HB THR 39 5.225 -6.213 -10.827 280 HG1 THR 39 HG1 THR 39 3.899 -7.981 -11.272 281 HG21 THR 39 HG21 THR 39 6.489 -8.163 -9.273 282 HG22 THR 39 HG22 THR 39 5.965 -6.905 -8.154 283 HG23 THR 39 HG23 THR 39 6.987 -6.491 -9.530 284 H VAL 40 HN VAL 40 3.391 -5.614 -6.822 285 HA VAL 40 HA VAL 40 4.511 -2.931 -7.154 286 HB VAL 40 HB VAL 40 3.129 -4.088 -4.729 287 HG11 VAL 40 HG11 VAL 40 3.106 -1.194 -5.218 288 HG12 VAL 40 HG12 VAL 40 4.698 -1.873 -4.873 289 HG13 VAL 40 HG13 VAL 40 3.377 -2.093 -3.725 290 HG21 VAL 40 HG21 VAL 40 1.932 -3.665 -7.138 291 HG22 VAL 40 HG22 VAL 40 1.699 -2.105 -6.349 292 HG23 VAL 40 HG23 VAL 40 1.112 -3.579 -5.579 293 H VAL 41 HN VAL 41 6.659 -2.773 -6.844 294 HA VAL 41 HA VAL 41 8.067 -4.686 -5.275 295 HB VAL 41 HB VAL 41 9.208 -2.083 -6.245 296 HG11 VAL 41 HG11 VAL 41 11.113 -4.113 -6.349 297 HG12 VAL 41 HG12 VAL 41 10.249 -4.405 -4.837 298 HG13 VAL 41 HG13 VAL 41 11.000 -2.838 -5.138 299 HG21 VAL 41 HG21 VAL 41 9.694 -3.027 -8.316 300 HG22 VAL 41 HG22 VAL 41 8.052 -3.589 -8.004 301 HG23 VAL 41 HG23 VAL 41 9.420 -4.671 -7.742 302 H LEU 42 HN LEU 42 7.620 -4.700 -3.181 303 HA LEU 42 HA LEU 42 6.963 -2.608 -1.512 304 HB2 LEU 42 HB2 LEU 42 8.469 -5.149 -0.976 305 HB3 LEU 42 HB1 LEU 42 7.940 -4.075 0.306 306 HG LEU 42 HG LEU 42 5.988 -5.220 -1.672 307 HD11 LEU 42 HD11 LEU 42 6.577 -7.248 -0.875 308 HD12 LEU 42 HD12 LEU 42 5.575 -6.757 0.490 309 HD13 LEU 42 HD13 LEU 42 7.327 -6.581 0.576 310 HD21 LEU 42 HD21 LEU 42 5.181 -4.757 1.091 311 HD22 LEU 42 HD22 LEU 42 4.418 -4.249 -0.416 312 HD23 LEU 42 HD23 LEU 42 5.737 -3.300 0.267 313 H SER 43 HN SER 43 10.011 -3.377 -2.905 314 HA SER 43 HA SER 43 11.742 -2.184 -1.039 315 HB2 SER 43 HB2 SER 43 12.240 -3.618 -3.204 316 HB3 SER 43 HB1 SER 43 12.338 -2.031 -3.966 317 HG SER 43 HG SER 43 14.320 -3.054 -2.952 318 H THR 44 HN THR 44 10.109 -0.954 -3.880 319 HA THR 44 HA THR 44 11.029 1.729 -3.535 320 HB THR 44 HB THR 44 8.999 2.063 -5.199 321 HG1 THR 44 HG1 THR 44 8.433 0.224 -6.259 322 HG21 THR 44 HG21 THR 44 10.385 1.419 -7.094 323 HG22 THR 44 HG22 THR 44 11.472 0.560 -6.003 324 HG23 THR 44 HG23 THR 44 11.310 2.312 -5.887 325 H ILE 45 HN ILE 45 8.508 -0.231 -2.248 326 HA ILE 45 HA ILE 45 6.761 1.965 -1.548 327 HB ILE 45 HB ILE 45 6.728 -0.833 -0.413 328 HG12 ILE 45 HG12 ILE 45 6.600 -0.820 -2.901 329 HG13 ILE 45 HG11 ILE 45 5.125 -1.405 -2.140 330 HG21 ILE 45 HG21 ILE 45 4.531 1.219 -0.645 331 HG22 ILE 45 HG22 ILE 45 5.452 0.885 0.821 332 HG23 ILE 45 HG23 ILE 45 4.423 -0.366 0.123 333 HD11 ILE 45 HD11 ILE 45 4.031 0.029 -3.422 334 HD12 ILE 45 HD12 ILE 45 5.524 0.821 -3.925 335 HD13 ILE 45 HD13 ILE 45 4.718 1.320 -2.438 336 H ASP 46 HN ASP 46 6.872 3.214 0.206 337 HA ASP 46 HA ASP 46 8.699 2.398 2.369 338 HB2 ASP 46 HB2 ASP 46 8.300 4.978 0.969 339 HB3 ASP 46 HB1 ASP 46 8.548 5.070 2.710 340 H LYS 47 HN LYS 47 5.494 2.696 1.676 341 HA LYS 47 HA LYS 47 4.840 2.972 4.507 342 HB2 LYS 47 HB2 LYS 47 4.218 4.949 2.478 343 HB3 LYS 47 HB1 LYS 47 2.760 4.327 3.239 344 HG2 LYS 47 HG2 LYS 47 3.206 6.017 4.674 345 HG3 LYS 47 HG1 LYS 47 4.180 4.758 5.436 346 HD2 LYS 47 HD2 LYS 47 5.685 6.501 5.339 347 HD3 LYS 47 HD1 LYS 47 6.050 5.644 3.841 348 HE2 LYS 47 HE2 LYS 47 5.272 7.316 2.543 349 HE3 LYS 47 HE1 LYS 47 3.946 7.690 3.642 350 HZ1 LYS 47 HZ1 LYS 47 5.232 9.532 3.906 351 HZ2 LYS 47 HZ2 LYS 47 6.686 8.719 3.618 352 HZ3 LYS 47 HZ3 LYS 47 5.913 8.563 5.114 353 H LEU 48 HN LEU 48 3.028 1.877 5.154 354 HA LEU 48 HA LEU 48 1.266 0.631 3.234 355 HB2 LEU 48 HB2 LEU 48 3.159 -0.933 3.282 356 HB3 LEU 48 HB1 LEU 48 3.012 -1.060 5.025 357 HG LEU 48 HG LEU 48 0.476 -1.690 3.892 358 HD11 LEU 48 HD11 LEU 48 2.824 -2.901 2.495 359 HD12 LEU 48 HD12 LEU 48 1.303 -2.312 1.826 360 HD13 LEU 48 HD13 LEU 48 1.343 -3.830 2.722 361 HD21 LEU 48 HD21 LEU 48 1.059 -3.944 4.906 362 HD22 LEU 48 HD22 LEU 48 1.084 -2.555 5.992 363 HD23 LEU 48 HD23 LEU 48 2.597 -3.218 5.373 364 H GLN 49 HN GLN 49 -0.729 0.400 4.080 365 HA GLN 49 HA GLN 49 -1.063 0.174 6.971 366 HB2 GLN 49 HB2 GLN 49 -2.737 2.248 5.643 367 HB3 GLN 49 HB1 GLN 49 -2.205 2.133 7.310 368 HG2 GLN 49 HG2 GLN 49 -1.005 3.934 6.574 369 HG3 GLN 49 HG1 GLN 49 0.145 2.626 6.313 370 HE21 GLN 49 HE21 GLN 49 -2.135 4.781 4.773 371 HE22 GLN 49 HE22 GLN 49 -1.491 4.636 3.177 372 H ALA 50 HN ALA 50 -2.812 -1.025 7.516 373 HA ALA 50 HA ALA 50 -4.735 -1.678 5.374 374 HB1 ALA 50 HB1 ALA 50 -4.976 -3.703 7.219 375 HB2 ALA 50 HB2 ALA 50 -3.236 -3.417 7.144 376 HB3 ALA 50 HB3 ALA 50 -4.136 -3.793 5.676 377 H THR 51 HN THR 51 -6.883 -1.593 5.852 378 HA THR 51 HA THR 51 -7.538 -0.001 8.143 379 HB THR 51 HB THR 51 -9.905 -0.239 7.237 380 HG1 THR 51 HG1 THR 51 -9.722 -2.047 5.979 381 HG21 THR 51 HG21 THR 51 -9.589 1.534 5.875 382 HG22 THR 51 HG22 THR 51 -8.196 0.808 5.072 383 HG23 THR 51 HG23 THR 51 -8.017 1.524 6.672 384 HA PRO 52 HA PRO 52 -8.622 -3.460 10.741 385 HB2 PRO 52 HB2 PRO 52 -8.658 -2.103 13.033 386 HB3 PRO 52 HB1 PRO 52 -7.133 -2.418 12.195 387 HG2 PRO 52 HG2 PRO 52 -8.752 0.083 12.316 388 HG3 PRO 52 HG1 PRO 52 -6.992 -0.117 12.318 389 HD2 PRO 52 HD2 PRO 52 -8.559 0.536 10.101 390 HD3 PRO 52 HD1 PRO 52 -6.896 -0.071 10.049 391 H ALA 53 HN ALA 53 -10.397 -3.890 12.307 392 HA ALA 53 HA ALA 53 -12.900 -3.339 11.286 393 HB1 ALA 53 HB1 ALA 53 -13.625 -3.967 13.734 394 HB2 ALA 53 HB2 ALA 53 -11.918 -4.382 13.887 395 HB3 ALA 53 HB3 ALA 53 -12.907 -5.161 12.653 396 H SER 54 HN SER 54 -11.092 -0.896 12.353 397 HA SER 54 HA SER 54 -12.623 0.515 14.220 398 HB2 SER 54 HB2 SER 54 -10.881 1.518 11.980 399 HB3 SER 54 HB1 SER 54 -11.447 2.505 13.330 400 HG SER 54 HG SER 54 -9.801 1.783 14.404 401 H SER 55 HN SER 55 -12.840 0.113 10.815 402 HA SER 55 HA SER 55 -15.376 1.596 10.781 403 HB2 SER 55 HB2 SER 55 -13.073 2.483 9.583 404 HB3 SER 55 HB1 SER 55 -13.870 1.630 8.263 405 HG SER 55 HG SER 55 -15.301 3.166 8.163 406 H GLU 56 HN GLU 56 -16.801 0.932 8.958 407 HA GLU 56 HA GLU 56 -16.960 -1.903 8.783 408 HB2 GLU 56 HB2 GLU 56 -18.822 -1.439 7.169 409 HB3 GLU 56 HB1 GLU 56 -18.997 -0.639 8.725 410 HG2 GLU 56 HG2 GLU 56 -17.629 1.197 7.164 411 HG3 GLU 56 HG1 GLU 56 -18.816 0.488 6.071 412 H LYS 57 HN LYS 57 -15.125 0.354 7.140 413 HA LYS 57 HA LYS 57 -15.051 -0.411 4.513 414 HB2 LYS 57 HB2 LYS 57 -13.097 0.802 4.352 415 HB3 LYS 57 HB1 LYS 57 -13.794 1.456 5.826 416 HG2 LYS 57 HG2 LYS 57 -11.546 -0.526 5.579 417 HG3 LYS 57 HG1 LYS 57 -11.473 1.119 6.204 418 HD2 LYS 57 HD2 LYS 57 -11.884 0.357 8.250 419 HD3 LYS 57 HD1 LYS 57 -13.422 -0.302 7.704 420 HE2 LYS 57 HE2 LYS 57 -11.509 -2.090 6.760 421 HE3 LYS 57 HE1 LYS 57 -10.964 -1.664 8.380 422 HZ1 LYS 57 HZ1 LYS 57 -13.649 -2.708 7.660 423 HZ2 LYS 57 HZ2 LYS 57 -13.164 -2.260 9.217 424 HZ3 LYS 57 HZ3 LYS 57 -12.422 -3.569 8.445 425 H MET 58 HN MET 58 -12.645 -1.214 3.736 426 HA MET 58 HA MET 58 -11.524 -3.477 4.931 427 HB2 MET 58 HB2 MET 58 -12.487 -5.255 3.503 428 HB3 MET 58 HB1 MET 58 -13.687 -4.534 4.569 429 HG2 MET 58 HG2 MET 58 -13.840 -3.015 2.262 430 HG3 MET 58 HG1 MET 58 -13.610 -4.659 1.680 431 HE1 MET 58 HE1 MET 58 -15.735 -5.748 4.781 432 HE2 MET 58 HE2 MET 58 -14.590 -6.379 3.595 433 HE3 MET 58 HE3 MET 58 -16.321 -6.633 3.374 434 H MET 59 HN MET 59 -9.811 -2.060 4.061 435 HA MET 59 HA MET 59 -8.996 -2.968 1.449 436 HB2 MET 59 HB2 MET 59 -8.491 -0.217 1.237 437 HB3 MET 59 HB1 MET 59 -9.604 -1.171 0.278 438 HG2 MET 59 HG2 MET 59 -10.612 0.861 1.219 439 HG3 MET 59 HG1 MET 59 -11.426 -0.618 1.733 440 HE1 MET 59 HE1 MET 59 -11.161 2.586 4.124 441 HE2 MET 59 HE2 MET 59 -10.714 2.515 2.422 442 HE3 MET 59 HE3 MET 59 -9.466 2.678 3.657 443 H LEU 60 HN LEU 60 -6.836 -2.422 0.873 444 HA LEU 60 HA LEU 60 -5.120 -1.852 3.201 445 HB2 LEU 60 HB2 LEU 60 -5.124 -4.041 1.349 446 HB3 LEU 60 HB1 LEU 60 -3.644 -3.130 1.121 447 HG LEU 60 HG LEU 60 -4.549 -4.146 3.813 448 HD11 LEU 60 HD11 LEU 60 -2.650 -5.837 3.404 449 HD12 LEU 60 HD12 LEU 60 -2.896 -5.482 1.692 450 HD13 LEU 60 HD13 LEU 60 -4.218 -6.140 2.656 451 HD21 LEU 60 HD21 LEU 60 -1.719 -3.620 3.130 452 HD22 LEU 60 HD22 LEU 60 -2.587 -3.375 4.644 453 HD23 LEU 60 HD23 LEU 60 -2.773 -2.220 3.325 454 H ARG 61 HN ARG 61 -3.787 -0.114 3.031 455 HA ARG 61 HA ARG 61 -3.555 1.156 0.374 456 HB2 ARG 61 HB2 ARG 61 -4.911 2.523 1.815 457 HB3 ARG 61 HB1 ARG 61 -3.733 2.412 3.115 458 HG2 ARG 61 HG2 ARG 61 -3.486 4.558 2.173 459 HG3 ARG 61 HG1 ARG 61 -2.115 3.610 1.596 460 HD2 ARG 61 HD2 ARG 61 -2.677 4.171 -0.477 461 HD3 ARG 61 HD1 ARG 61 -4.149 3.220 -0.286 462 HE ARG 61 HE ARG 61 -4.762 5.621 0.837 463 HH11 ARG 61 HH11 ARG 61 -3.541 4.632 -2.279 464 HH12 ARG 61 HH12 ARG 61 -4.275 5.952 -3.125 465 HH21 ARG 61 HH21 ARG 61 -5.728 7.359 -0.274 466 HH22 ARG 61 HH22 ARG 61 -5.516 7.501 -1.987 467 H LEU 62 HN LEU 62 -1.571 1.353 -0.423 468 HA LEU 62 HA LEU 62 0.713 1.432 1.424 469 HB2 LEU 62 HB2 LEU 62 1.792 0.144 -0.709 470 HB3 LEU 62 HB1 LEU 62 1.219 -0.647 0.746 471 HG LEU 62 HG LEU 62 -0.673 -0.218 -1.530 472 HD11 LEU 62 HD11 LEU 62 -0.000 -2.497 -2.342 473 HD12 LEU 62 HD12 LEU 62 1.447 -2.344 -1.346 474 HD13 LEU 62 HD13 LEU 62 1.160 -1.209 -2.665 475 HD21 LEU 62 HD21 LEU 62 -1.016 -1.230 0.945 476 HD22 LEU 62 HD22 LEU 62 -0.602 -2.698 0.058 477 HD23 LEU 62 HD23 LEU 62 -1.973 -1.714 -0.456 478 H ILE 63 HN ILE 63 2.132 3.011 1.006 479 HA ILE 63 HA ILE 63 1.779 4.525 -1.483 480 HB ILE 63 HB ILE 63 2.707 5.308 1.253 481 HG12 ILE 63 HG12 ILE 63 1.113 7.269 -0.002 482 HG13 ILE 63 HG11 ILE 63 0.393 5.712 -0.404 483 HG21 ILE 63 HG21 ILE 63 3.279 6.812 -1.293 484 HG22 ILE 63 HG22 ILE 63 4.448 6.206 -0.118 485 HG23 ILE 63 HG23 ILE 63 3.357 7.521 0.321 486 HD11 ILE 63 HD11 ILE 63 0.247 5.144 1.928 487 HD12 ILE 63 HD12 ILE 63 -0.542 6.694 1.629 488 HD13 ILE 63 HD13 ILE 63 1.060 6.645 2.369 489 H GLY 64 HN GLY 64 3.419 4.790 -2.906 490 HA2 GLY 64 HA2 GLY 64 5.646 3.040 -2.799 491 HA3 GLY 64 HA1 GLY 64 5.392 4.313 -3.982 492 H LYS 65 HN LYS 65 7.489 5.046 -4.012 493 HA LYS 65 HA LYS 65 8.516 6.163 -1.488 494 HB2 LYS 65 HB2 LYS 65 9.766 4.631 -3.614 495 HB3 LYS 65 HB1 LYS 65 10.615 6.144 -3.328 496 HG2 LYS 65 HG2 LYS 65 9.941 4.789 -0.855 497 HG3 LYS 65 HG1 LYS 65 10.926 3.788 -1.924 498 HD2 LYS 65 HD2 LYS 65 12.436 5.829 -2.169 499 HD3 LYS 65 HD1 LYS 65 11.559 6.500 -0.792 500 HE2 LYS 65 HE2 LYS 65 12.552 5.111 0.678 501 HE3 LYS 65 HE1 LYS 65 12.518 3.745 -0.436 502 HZ1 LYS 65 HZ1 LYS 65 14.350 5.924 -1.068 503 HZ2 LYS 65 HZ2 LYS 65 14.543 4.256 -1.270 504 HZ3 LYS 65 HZ3 LYS 65 14.751 4.952 0.257 505 H VAL 66 HN VAL 66 10.253 7.984 -2.143 506 HA VAL 66 HA VAL 66 8.752 9.916 -3.783 507 HB VAL 66 HB VAL 66 9.939 11.676 -2.503 508 HG11 VAL 66 HG11 VAL 66 7.815 11.350 -1.678 509 HG12 VAL 66 HG12 VAL 66 8.793 11.050 -0.240 510 HG13 VAL 66 HG13 VAL 66 8.151 9.695 -1.169 511 HG21 VAL 66 HG21 VAL 66 10.757 9.657 -0.472 512 HG22 VAL 66 HG22 VAL 66 11.415 11.261 -0.798 513 HG23 VAL 66 HG23 VAL 66 11.792 9.917 -1.877 514 H ASP 67 HN ASP 67 9.983 11.455 -5.039 515 HA ASP 67 HA ASP 67 12.692 10.548 -5.736 516 HB2 ASP 67 HB2 ASP 67 10.315 10.824 -7.485 517 HB3 ASP 67 HB1 ASP 67 11.835 11.429 -8.137 518 H GLU 68 HN GLU 68 13.144 12.375 -4.225 519 HA GLU 68 HA GLU 68 12.648 15.024 -5.264 520 HB2 GLU 68 HB2 GLU 68 13.740 15.803 -3.201 521 HB3 GLU 68 HB1 GLU 68 12.425 14.683 -2.872 522 HG2 GLU 68 HG2 GLU 68 13.785 13.140 -1.976 523 HG3 GLU 68 HG1 GLU 68 15.077 13.452 -3.135 524 H SER 69 HN SER 69 14.504 13.029 -6.592 525 HA SER 69 HA SER 69 17.048 14.402 -6.380 526 HB2 SER 69 HB2 SER 69 16.210 11.837 -7.721 527 HB3 SER 69 HB1 SER 69 17.804 12.551 -7.963 528 HG SER 69 HG SER 69 16.691 11.398 -5.666 529 H LYS 70 HN LYS 70 14.275 14.322 -8.358 530 HA LYS 70 HA LYS 70 15.640 15.942 -10.364 531 HB2 LYS 70 HB2 LYS 70 14.259 14.939 -12.113 532 HB3 LYS 70 HB1 LYS 70 15.221 13.715 -11.293 533 HG2 LYS 70 HG2 LYS 70 12.628 14.076 -10.050 534 HG3 LYS 70 HG1 LYS 70 12.499 13.635 -11.756 535 HD2 LYS 70 HD2 LYS 70 14.279 11.834 -11.143 536 HD3 LYS 70 HD1 LYS 70 13.731 12.118 -9.490 537 HE2 LYS 70 HE2 LYS 70 11.466 11.548 -10.100 538 HE3 LYS 70 HE1 LYS 70 11.926 11.394 -11.795 539 HZ1 LYS 70 HZ1 LYS 70 12.978 9.415 -11.426 540 HZ2 LYS 70 HZ2 LYS 70 11.743 9.303 -10.276 541 HZ3 LYS 70 HZ3 LYS 70 13.304 9.743 -9.798 542 H LYS 71 HN LYS 71 13.572 16.146 -7.950 543 HA LYS 71 HA LYS 71 11.157 17.121 -8.783 544 HB2 LYS 71 HB2 LYS 71 11.002 18.290 -6.710 545 HB3 LYS 71 HB1 LYS 71 11.927 16.825 -6.413 546 HG2 LYS 71 HG2 LYS 71 13.656 19.035 -7.104 547 HG3 LYS 71 HG1 LYS 71 12.629 19.419 -5.722 548 HD2 LYS 71 HD2 LYS 71 13.411 16.916 -5.074 549 HD3 LYS 71 HD1 LYS 71 14.823 17.470 -5.976 550 HE2 LYS 71 HE2 LYS 71 15.420 18.250 -3.932 551 HE3 LYS 71 HE1 LYS 71 14.441 19.622 -4.449 552 HZ1 LYS 71 HZ1 LYS 71 13.912 17.635 -2.400 553 HZ2 LYS 71 HZ2 LYS 71 12.581 18.077 -3.345 554 HZ3 LYS 71 HZ3 LYS 71 13.436 19.256 -2.486 555 H ARG 72 HN ARG 72 10.490 19.540 -8.520 556 HA ARG 72 HA ARG 72 12.237 21.101 -10.300 557 HB2 ARG 72 HB2 ARG 72 10.029 22.455 -10.599 558 HB3 ARG 72 HB1 ARG 72 10.229 20.925 -11.439 559 HG2 ARG 72 HG2 ARG 72 8.011 21.088 -10.496 560 HG3 ARG 72 HG1 ARG 72 8.920 19.805 -9.695 561 HD2 ARG 72 HD2 ARG 72 8.957 20.888 -7.710 562 HD3 ARG 72 HD1 ARG 72 9.096 22.477 -8.461 563 HE ARG 72 HE ARG 72 6.676 21.127 -7.689 564 HH11 ARG 72 HH11 ARG 72 8.059 23.564 -9.770 565 HH12 ARG 72 HH12 ARG 72 6.569 24.425 -9.961 566 HH21 ARG 72 HH21 ARG 72 4.716 22.258 -7.939 567 HH22 ARG 72 HH22 ARG 72 4.671 23.684 -8.921 568 H LYS 73 HN LYS 73 12.693 23.258 -9.841 569 HA LYS 73 HA LYS 73 12.743 23.899 -7.038 570 HB2 LYS 73 HB2 LYS 73 13.690 25.410 -9.476 571 HB3 LYS 73 HB1 LYS 73 13.905 25.982 -7.827 572 HG2 LYS 73 HG2 LYS 73 15.937 24.962 -8.511 573 HG3 LYS 73 HG1 LYS 73 15.168 23.883 -7.346 574 HD2 LYS 73 HD2 LYS 73 14.643 22.312 -8.945 575 HD3 LYS 73 HD1 LYS 73 14.635 23.494 -10.255 576 HE2 LYS 73 HE2 LYS 73 17.222 23.109 -8.903 577 HE3 LYS 73 HE1 LYS 73 16.630 21.722 -9.817 578 HZ1 LYS 73 HZ1 LYS 73 16.466 24.295 -11.157 579 HZ2 LYS 73 HZ2 LYS 73 16.906 22.781 -11.769 580 HZ3 LYS 73 HZ3 LYS 73 18.029 23.700 -10.900 581 H ASP 74 HN ASP 74 11.984 25.951 -6.169 582 HA ASP 74 HA ASP 74 9.374 26.625 -7.244 583 HB2 ASP 74 HB2 ASP 74 10.075 26.050 -4.713 584 HB3 ASP 74 HB1 ASP 74 10.274 27.799 -4.677 585 H ASN 75 HN ASN 75 8.852 29.095 -6.451 586 HA ASN 75 HA ASN 75 10.230 30.716 -8.294 587 HB2 ASN 75 HB2 ASN 75 8.239 31.282 -6.120 588 HB3 ASN 75 HB1 ASN 75 8.977 32.595 -7.032 589 HD21 ASN 75 HD21 ASN 75 7.147 29.601 -7.387 590 HD22 ASN 75 HD22 ASN 75 6.315 30.070 -8.827 591 H GLU 76 HN GLU 76 10.542 30.231 -4.865 592 HA GLU 76 HA GLU 76 12.600 32.270 -4.686 593 HB2 GLU 76 HB2 GLU 76 10.991 30.764 -2.660 594 HB3 GLU 76 HB1 GLU 76 12.489 31.553 -2.185 595 HG2 GLU 76 HG2 GLU 76 11.212 33.335 -1.804 596 HG3 GLU 76 HG1 GLU 76 11.219 33.538 -3.556 597 H GLY 77 HN GLY 77 12.231 28.890 -4.967 598 HA2 GLY 77 HA2 GLY 77 14.151 27.568 -5.584 599 HA3 GLY 77 HA1 GLY 77 15.123 28.560 -4.508 600 H ASN 78 HN ASN 78 12.010 27.512 -3.425 601 HA ASN 78 HA ASN 78 13.188 26.083 -1.236 602 HB2 ASN 78 HB2 ASN 78 10.889 27.445 -1.472 603 HB3 ASN 78 HB1 ASN 78 10.280 25.824 -1.790 604 HD21 ASN 78 HD21 ASN 78 10.500 24.228 -0.177 605 HD22 ASN 78 HD22 ASN 78 10.700 24.661 1.483 606 H GLU 79 HN GLU 79 11.846 25.247 -4.325 607 HA GLU 79 HA GLU 79 11.697 23.284 -5.458 608 HB2 GLU 79 HB2 GLU 79 13.356 21.980 -3.314 609 HB3 GLU 79 HB1 GLU 79 13.274 21.587 -5.026 610 HG2 GLU 79 HG2 GLU 79 15.012 22.886 -5.422 611 HG3 GLU 79 HG1 GLU 79 14.135 24.277 -4.788 612 H VAL 80 HN VAL 80 11.442 20.670 -4.748 613 HA VAL 80 HA VAL 80 9.724 20.265 -2.514 614 HB VAL 80 HB VAL 80 8.353 21.504 -4.419 615 HG11 VAL 80 HG11 VAL 80 7.633 18.723 -5.196 616 HG12 VAL 80 HG12 VAL 80 9.033 19.479 -5.957 617 HG13 VAL 80 HG13 VAL 80 7.443 20.233 -6.088 618 HG21 VAL 80 HG21 VAL 80 6.876 21.148 -2.800 619 HG22 VAL 80 HG22 VAL 80 7.696 19.672 -2.292 620 HG23 VAL 80 HG23 VAL 80 6.490 19.612 -3.577 621 H VAL 81 HN VAL 81 8.304 18.063 -3.296 622 HA VAL 81 HA VAL 81 10.204 16.252 -4.538 623 HB VAL 81 HB VAL 81 8.801 15.638 -1.941 624 HG11 VAL 81 HG11 VAL 81 10.581 14.075 -3.766 625 HG12 VAL 81 HG12 VAL 81 9.085 13.586 -2.969 626 HG13 VAL 81 HG13 VAL 81 10.574 13.734 -2.035 627 HG21 VAL 81 HG21 VAL 81 10.466 17.184 -1.367 628 HG22 VAL 81 HG22 VAL 81 11.610 16.518 -2.532 629 HG23 VAL 81 HG23 VAL 81 11.206 15.610 -1.074 630 HA PRO 82 HA PRO 82 6.583 15.075 -6.855 631 HB2 PRO 82 HB2 PRO 82 8.040 12.470 -6.965 632 HB3 PRO 82 HB1 PRO 82 7.317 13.410 -8.277 633 HG2 PRO 82 HG2 PRO 82 9.942 13.411 -7.940 634 HG3 PRO 82 HG1 PRO 82 9.094 14.916 -8.345 635 HD2 PRO 82 HD2 PRO 82 10.177 13.998 -5.714 636 HD3 PRO 82 HD1 PRO 82 10.170 15.626 -6.423 637 H LYS 83 HN LYS 83 4.880 14.882 -5.482 638 HA LYS 83 HA LYS 83 4.620 13.320 -3.237 639 HB2 LYS 83 HB2 LYS 83 2.147 13.409 -3.676 640 HB3 LYS 83 HB1 LYS 83 2.962 14.966 -3.717 641 HG2 LYS 83 HG2 LYS 83 2.823 13.668 -6.323 642 HG3 LYS 83 HG1 LYS 83 1.242 14.006 -5.616 643 HD2 LYS 83 HD2 LYS 83 2.264 16.353 -5.134 644 HD3 LYS 83 HD1 LYS 83 3.421 15.903 -6.388 645 HE2 LYS 83 HE2 LYS 83 1.893 16.067 -8.040 646 HE3 LYS 83 HE1 LYS 83 0.592 15.421 -7.041 647 HZ1 LYS 83 HZ1 LYS 83 0.325 17.792 -7.695 648 HZ2 LYS 83 HZ2 LYS 83 1.674 18.167 -6.746 649 HZ3 LYS 83 HZ3 LYS 83 0.283 17.529 -6.024 650 HA PRO 84 HA PRO 84 5.139 9.214 -5.101 651 HB2 PRO 84 HB2 PRO 84 4.178 8.563 -2.347 652 HB3 PRO 84 HB1 PRO 84 5.514 7.861 -3.268 653 HG2 PRO 84 HG2 PRO 84 5.987 9.610 -1.320 654 HG3 PRO 84 HG1 PRO 84 6.935 9.638 -2.818 655 HD2 PRO 84 HD2 PRO 84 4.777 11.475 -1.905 656 HD3 PRO 84 HD1 PRO 84 6.207 11.816 -2.899 657 H GLN 85 HN GLN 85 3.721 7.740 -5.937 658 HA GLN 85 HA GLN 85 0.942 8.459 -5.949 659 HB2 GLN 85 HB2 GLN 85 2.529 7.316 -7.792 660 HB3 GLN 85 HB1 GLN 85 1.810 5.867 -7.103 661 HG2 GLN 85 HG2 GLN 85 0.361 6.333 -8.813 662 HG3 GLN 85 HG1 GLN 85 -0.430 7.135 -7.457 663 HE21 GLN 85 HE21 GLN 85 -0.923 7.788 -10.116 664 HE22 GLN 85 HE22 GLN 85 -0.353 9.393 -10.409 665 H ARG 86 HN ARG 86 -0.426 7.890 -4.404 666 HA ARG 86 HA ARG 86 0.151 5.691 -2.625 667 HB2 ARG 86 HB2 ARG 86 -2.385 7.318 -2.686 668 HB3 ARG 86 HB1 ARG 86 -1.686 6.448 -1.327 669 HG2 ARG 86 HG2 ARG 86 0.302 8.091 -1.634 670 HG3 ARG 86 HG1 ARG 86 -0.879 9.063 -2.516 671 HD2 ARG 86 HD2 ARG 86 -2.385 8.818 -0.495 672 HD3 ARG 86 HD1 ARG 86 -0.986 8.162 0.353 673 HE ARG 86 HE ARG 86 -0.330 10.638 -0.838 674 HH11 ARG 86 HH11 ARG 86 -2.144 9.288 1.820 675 HH12 ARG 86 HH12 ARG 86 -1.984 10.700 2.810 676 HH21 ARG 86 HH21 ARG 86 -0.118 12.496 0.463 677 HH22 ARG 86 HH22 ARG 86 -0.834 12.521 2.040 678 H HIS 87 HN HIS 87 -0.598 3.679 -2.783 679 HA HIS 87 HA HIS 87 -2.619 3.118 -4.841 680 HB2 HIS 87 HB2 HIS 87 -0.829 1.088 -3.511 681 HB3 HIS 87 HB1 HIS 87 -1.723 0.925 -5.018 682 HD1 HIS 87 HD1 HIS 87 -0.768 2.280 -7.090 683 HD2 HIS 87 HD2 HIS 87 1.700 2.137 -3.750 684 HE1 HIS 87 HE1 HIS 87 1.507 2.976 -7.904 685 HE2 HIS 87 HE2 HIS 87 3.003 2.794 -5.885 686 H MET 88 HN MET 88 -4.616 2.874 -4.095 687 HA MET 88 HA MET 88 -5.003 1.840 -1.373 688 HB2 MET 88 HB2 MET 88 -6.126 4.007 -2.624 689 HB3 MET 88 HB1 MET 88 -7.373 2.785 -2.824 690 HG2 MET 88 HG2 MET 88 -6.122 3.421 -0.171 691 HG3 MET 88 HG1 MET 88 -7.547 4.253 -0.788 692 HE1 MET 88 HE1 MET 88 -7.207 2.840 1.914 693 HE2 MET 88 HE2 MET 88 -8.419 1.589 2.151 694 HE3 MET 88 HE3 MET 88 -8.919 3.220 1.698 695 H PHE 89 HN PHE 89 -5.172 -0.298 -1.362 696 HA PHE 89 HA PHE 89 -6.561 -1.678 -3.535 697 HB2 PHE 89 HB2 PHE 89 -4.329 -2.295 -1.888 698 HB3 PHE 89 HB1 PHE 89 -5.590 -3.463 -1.516 699 HD1 PHE 89 HD1 PHE 89 -6.909 -3.972 -3.986 700 HD2 PHE 89 HD2 PHE 89 -2.777 -3.257 -3.266 701 HE1 PHE 89 HE1 PHE 89 -6.341 -5.225 -6.024 702 HE2 PHE 89 HE2 PHE 89 -2.201 -4.509 -5.303 703 HZ PHE 89 HZ PHE 89 -3.988 -5.489 -6.681 704 H SER 90 HN SER 90 -8.457 -2.863 -3.205 705 HA SER 90 HA SER 90 -9.537 -2.912 -0.485 706 HB2 SER 90 HB2 SER 90 -10.307 -0.846 -1.833 707 HB3 SER 90 HB1 SER 90 -11.287 -1.992 -2.748 708 HG SER 90 HG SER 90 -12.658 -1.718 -1.179 709 H PHE 91 HN PHE 91 -10.395 -4.789 0.006 710 HA PHE 91 HA PHE 91 -11.617 -6.400 -2.107 711 HB2 PHE 91 HB2 PHE 91 -10.557 -8.320 -0.405 712 HB3 PHE 91 HB1 PHE 91 -9.976 -7.915 -2.014 713 HD1 PHE 91 HD2 PHE 91 -8.457 -5.517 -1.749 714 HD2 PHE 91 HD1 PHE 91 -8.862 -8.723 1.015 715 HE1 PHE 91 HE2 PHE 91 -6.265 -4.965 -0.789 716 HE2 PHE 91 HE1 PHE 91 -6.665 -8.187 1.958 717 HZ PHE 91 HZ PHE 91 -5.362 -6.304 1.061 718 H ASN 92 HN ASN 92 -13.349 -7.663 -1.462 719 HA ASN 92 HA ASN 92 -14.994 -6.666 0.516 720 HB2 ASN 92 HB2 ASN 92 -16.319 -8.746 0.233 721 HB3 ASN 92 HB1 ASN 92 -15.872 -7.996 -1.296 722 HD21 ASN 92 HD21 ASN 92 -14.877 -9.195 -2.767 723 HD22 ASN 92 HD22 ASN 92 -14.220 -10.770 -2.499 724 H ASN 93 HN ASN 93 -12.280 -8.687 0.948 725 HA ASN 93 HA ASN 93 -13.263 -9.836 3.420 726 HB2 ASN 93 HB2 ASN 93 -10.548 -10.044 2.110 727 HB3 ASN 93 HB1 ASN 93 -11.069 -10.953 3.526 728 HD21 ASN 93 HD21 ASN 93 -12.547 -12.617 3.289 729 HD22 ASN 93 HD22 ASN 93 -12.924 -13.305 1.749 730 H ARG 94 HN ARG 94 -12.830 -9.201 5.416 731 HA ARG 94 HA ARG 94 -11.192 -6.785 5.759 732 HB2 ARG 94 HB2 ARG 94 -13.098 -7.920 7.797 733 HB3 ARG 94 HB1 ARG 94 -12.463 -6.284 7.692 734 HG2 ARG 94 HG2 ARG 94 -13.744 -6.321 5.382 735 HG3 ARG 94 HG1 ARG 94 -14.692 -7.558 6.209 736 HD2 ARG 94 HD2 ARG 94 -14.213 -5.248 7.896 737 HD3 ARG 94 HD1 ARG 94 -15.025 -4.809 6.394 738 HE ARG 94 HE ARG 94 -16.900 -5.919 7.111 739 HH11 ARG 94 HH11 ARG 94 -14.207 -6.781 9.158 740 HH12 ARG 94 HH12 ARG 94 -15.192 -7.611 10.315 741 HH21 ARG 94 HH21 ARG 94 -18.195 -7.010 8.632 742 HH22 ARG 94 HH22 ARG 94 -17.456 -7.742 10.017 743 H THR 95 HN THR 95 -11.658 -10.083 6.818 744 HA THR 95 HA THR 95 -9.695 -9.972 8.906 745 HB THR 95 HB THR 95 -11.743 -11.642 8.418 746 HG1 THR 95 HG1 THR 95 -9.364 -12.438 9.732 747 HG21 THR 95 HG21 THR 95 -9.348 -13.206 7.489 748 HG22 THR 95 HG22 THR 95 -10.727 -12.739 6.493 749 HG23 THR 95 HG23 THR 95 -10.950 -13.855 7.840 750 H VAL 96 HN VAL 96 -9.822 -11.209 5.599 751 HA VAL 96 HA VAL 96 -7.261 -12.310 5.454 752 HB VAL 96 HB VAL 96 -8.719 -10.932 3.194 753 HG11 VAL 96 HG11 VAL 96 -6.713 -11.400 2.242 754 HG12 VAL 96 HG12 VAL 96 -7.463 -12.983 2.039 755 HG13 VAL 96 HG13 VAL 96 -6.351 -12.699 3.378 756 HG21 VAL 96 HG21 VAL 96 -8.920 -13.846 3.408 757 HG22 VAL 96 HG22 VAL 96 -10.152 -12.648 3.013 758 HG23 VAL 96 HG23 VAL 96 -9.740 -12.966 4.698 759 H MET 97 HN MET 97 -8.315 -9.105 4.263 760 HA MET 97 HA MET 97 -5.910 -8.039 3.534 761 HB2 MET 97 HB2 MET 97 -6.863 -5.812 4.294 762 HB3 MET 97 HB1 MET 97 -7.836 -6.731 3.161 763 HG2 MET 97 HG2 MET 97 -9.514 -6.354 4.560 764 HG3 MET 97 HG1 MET 97 -8.784 -7.604 5.565 765 HE1 MET 97 HE1 MET 97 -6.918 -4.050 5.170 766 HE2 MET 97 HE2 MET 97 -8.085 -3.094 6.079 767 HE3 MET 97 HE3 MET 97 -8.583 -3.919 4.603 768 H ASP 98 HN ASP 98 -7.279 -7.796 6.806 769 HA ASP 98 HA ASP 98 -5.177 -6.439 7.994 770 HB2 ASP 98 HB2 ASP 98 -7.327 -8.241 9.018 771 HB3 ASP 98 HB1 ASP 98 -6.033 -7.764 10.113 772 H ASN 99 HN ASN 99 -5.316 -9.738 6.993 773 HA ASN 99 HA ASN 99 -3.151 -10.573 8.729 774 HB2 ASN 99 HB2 ASN 99 -4.977 -11.895 6.804 775 HB3 ASN 99 HB1 ASN 99 -3.386 -12.624 6.997 776 HD21 ASN 99 HD21 ASN 99 -6.266 -13.264 7.849 777 HD22 ASN 99 HD22 ASN 99 -6.095 -13.720 9.507 778 H ILE 100 HN ILE 100 -3.615 -10.236 5.210 779 HA ILE 100 HA ILE 100 -0.902 -10.742 4.577 780 HB ILE 100 HB ILE 100 -2.731 -11.006 2.946 781 HG12 ILE 100 HG12 ILE 100 -0.360 -9.272 2.351 782 HG13 ILE 100 HG11 ILE 100 -0.674 -10.935 1.870 783 HG21 ILE 100 HG21 ILE 100 -3.637 -8.624 3.791 784 HG22 ILE 100 HG22 ILE 100 -4.085 -9.349 2.248 785 HG23 ILE 100 HG23 ILE 100 -2.810 -8.132 2.313 786 HD11 ILE 100 HD11 ILE 100 -2.322 -10.160 0.251 787 HD12 ILE 100 HD12 ILE 100 -0.742 -9.425 -0.029 788 HD13 ILE 100 HD13 ILE 100 -2.025 -8.488 0.746 789 H LYS 101 HN LYS 101 -2.624 -7.848 5.516 790 HA LYS 101 HA LYS 101 -0.799 -5.942 4.514 791 HB2 LYS 101 HB2 LYS 101 -1.833 -4.418 6.146 792 HB3 LYS 101 HB1 LYS 101 -3.040 -5.336 5.256 793 HG2 LYS 101 HG2 LYS 101 -3.907 -5.645 7.281 794 HG3 LYS 101 HG1 LYS 101 -2.719 -6.941 7.371 795 HD2 LYS 101 HD2 LYS 101 -1.484 -5.864 8.921 796 HD3 LYS 101 HD1 LYS 101 -1.732 -4.288 8.164 797 HE2 LYS 101 HE2 LYS 101 -3.539 -3.821 9.427 798 HE3 LYS 101 HE1 LYS 101 -4.120 -5.488 9.376 799 HZ1 LYS 101 HZ1 LYS 101 -1.836 -4.592 11.047 800 HZ2 LYS 101 HZ2 LYS 101 -2.612 -6.094 11.095 801 HZ3 LYS 101 HZ3 LYS 101 -3.426 -4.706 11.615 802 H MET 102 HN MET 102 -1.018 -7.672 7.566 803 HA MET 102 HA MET 102 1.007 -6.368 8.974 804 HB2 MET 102 HB2 MET 102 -0.362 -8.982 9.154 805 HB3 MET 102 HB1 MET 102 1.217 -8.901 9.924 806 HG2 MET 102 HG2 MET 102 0.495 -7.558 11.573 807 HG3 MET 102 HG1 MET 102 -0.593 -6.662 10.515 808 HE1 MET 102 HE1 MET 102 -1.463 -10.826 10.726 809 HE2 MET 102 HE2 MET 102 -1.160 -10.676 12.457 810 HE3 MET 102 HE3 MET 102 0.080 -10.192 11.300 811 H THR 103 HN THR 103 1.143 -9.002 6.647 812 HA THR 103 HA THR 103 3.773 -9.823 6.955 813 HB THR 103 HB THR 103 2.138 -9.606 4.421 814 HG1 THR 103 HG1 THR 103 1.105 -11.028 5.652 815 HG21 THR 103 HG21 THR 103 4.591 -9.905 4.012 816 HG22 THR 103 HG22 THR 103 3.556 -11.195 3.401 817 HG23 THR 103 HG23 THR 103 4.474 -11.431 4.888 818 H LEU 104 HN LEU 104 2.495 -7.196 4.935 819 HA LEU 104 HA LEU 104 5.094 -6.403 4.019 820 HB2 LEU 104 HB2 LEU 104 2.444 -4.964 3.892 821 HB3 LEU 104 HB1 LEU 104 3.902 -4.466 3.056 822 HG LEU 104 HG LEU 104 3.781 -6.838 1.975 823 HD11 LEU 104 HD11 LEU 104 1.099 -7.104 1.701 824 HD12 LEU 104 HD12 LEU 104 1.219 -6.612 3.390 825 HD13 LEU 104 HD13 LEU 104 2.086 -8.039 2.824 826 HD21 LEU 104 HD21 LEU 104 1.601 -5.226 0.872 827 HD22 LEU 104 HD22 LEU 104 3.108 -5.761 0.130 828 HD23 LEU 104 HD23 LEU 104 3.092 -4.330 1.159 829 H GLN 105 HN GLN 105 2.882 -5.402 6.555 830 HA GLN 105 HA GLN 105 4.032 -2.971 7.276 831 HB2 GLN 105 HB2 GLN 105 1.895 -4.211 8.152 832 HB3 GLN 105 HB1 GLN 105 2.993 -4.847 9.369 833 HG2 GLN 105 HG2 GLN 105 2.164 -2.997 10.429 834 HG3 GLN 105 HG1 GLN 105 3.632 -2.346 9.701 835 HE21 GLN 105 HE21 GLN 105 0.668 -1.484 10.375 836 HE22 GLN 105 HE22 GLN 105 0.272 -0.494 9.016 837 H GLN 106 HN GLN 106 4.774 -6.242 8.456 838 HA GLN 106 HA GLN 106 6.784 -5.497 10.266 839 HB2 GLN 106 HB2 GLN 106 7.543 -7.858 10.071 840 HB3 GLN 106 HB1 GLN 106 5.817 -7.703 10.363 841 HG2 GLN 106 HG2 GLN 106 5.297 -8.238 8.116 842 HG3 GLN 106 HG1 GLN 106 6.983 -8.090 7.622 843 HE21 GLN 106 HE21 GLN 106 6.850 -10.199 6.750 844 HE22 GLN 106 HE22 GLN 106 6.935 -11.590 7.770 845 H ILE 107 HN ILE 107 6.882 -6.226 6.816 846 HA ILE 107 HA ILE 107 9.614 -6.391 6.438 847 HB ILE 107 HB ILE 107 7.269 -6.008 4.783 848 HG12 ILE 107 HG12 ILE 107 9.964 -7.101 4.016 849 HG13 ILE 107 HG11 ILE 107 8.844 -7.984 5.052 850 HG21 ILE 107 HG21 ILE 107 8.173 -3.903 4.125 851 HG22 ILE 107 HG22 ILE 107 8.486 -5.053 2.825 852 HG23 ILE 107 HG23 ILE 107 9.784 -4.592 3.927 853 HD11 ILE 107 HD11 ILE 107 8.254 -7.061 2.249 854 HD12 ILE 107 HD12 ILE 107 7.186 -8.007 3.286 855 HD13 ILE 107 HD13 ILE 107 8.705 -8.699 2.718 856 H ILE 108 HN ILE 108 7.547 -3.481 6.253 857 HA ILE 108 HA ILE 108 9.477 -1.620 5.604 858 HB ILE 108 HB ILE 108 7.325 -1.074 7.630 859 HG12 ILE 108 HG12 ILE 108 7.091 -1.249 4.622 860 HG13 ILE 108 HG11 ILE 108 6.321 -2.307 5.799 861 HG21 ILE 108 HG21 ILE 108 7.406 1.157 6.830 862 HG22 ILE 108 HG22 ILE 108 8.420 0.700 5.461 863 HG23 ILE 108 HG23 ILE 108 9.076 0.650 7.101 864 HD11 ILE 108 HD11 ILE 108 4.654 -0.894 6.154 865 HD12 ILE 108 HD12 ILE 108 5.163 -0.154 4.635 866 HD13 ILE 108 HD13 ILE 108 5.712 0.515 6.173 867 H SER 109 HN SER 109 8.844 -3.189 8.615 868 HA SER 109 HA SER 109 10.416 -1.477 10.249 869 HB2 SER 109 HB2 SER 109 8.551 -3.343 10.763 870 HB3 SER 109 HB1 SER 109 10.001 -4.310 11.045 871 HG SER 109 HG SER 109 8.909 -2.357 12.577 872 H ARG 110 HN ARG 110 11.116 -4.115 8.130 873 HA ARG 110 HA ARG 110 13.812 -4.399 9.239 874 HB2 ARG 110 HB2 ARG 110 13.915 -6.486 8.304 875 HB3 ARG 110 HB1 ARG 110 12.171 -6.355 8.465 876 HG2 ARG 110 HG2 ARG 110 12.411 -7.162 6.325 877 HG3 ARG 110 HG1 ARG 110 12.269 -5.427 6.044 878 HD2 ARG 110 HD2 ARG 110 14.428 -5.221 5.378 879 HD3 ARG 110 HD1 ARG 110 14.998 -6.476 6.478 880 HE ARG 110 HE ARG 110 14.367 -6.803 3.752 881 HH11 ARG 110 HH11 ARG 110 13.994 -8.413 6.826 882 HH12 ARG 110 HH12 ARG 110 13.947 -9.998 6.131 883 HH21 ARG 110 HH21 ARG 110 14.306 -8.888 2.837 884 HH22 ARG 110 HH22 ARG 110 14.125 -10.268 3.867 885 H TYR 111 HN TYR 111 12.052 -3.506 6.321 886 HA TYR 111 HA TYR 111 14.295 -2.959 4.693 887 HB2 TYR 111 HB2 TYR 111 11.461 -2.796 4.484 888 HB3 TYR 111 HB1 TYR 111 12.117 -1.231 4.018 889 HD1 TYR 111 HD2 TYR 111 13.733 -1.089 2.132 890 HD2 TYR 111 HD1 TYR 111 11.702 -4.702 3.087 891 HE1 TYR 111 HE2 TYR 111 14.281 -1.976 -0.094 892 HE2 TYR 111 HE1 TYR 111 12.241 -5.600 0.861 893 HH TYR 111 HH TYR 111 12.788 -4.494 -1.485 894 H LYS 112 HN LYS 112 12.614 -1.138 7.152 895 HA LYS 112 HA LYS 112 13.492 1.437 6.554 896 HB2 LYS 112 HB2 LYS 112 13.133 1.793 9.043 897 HB3 LYS 112 HB1 LYS 112 11.761 1.187 8.132 898 HG2 LYS 112 HG2 LYS 112 11.558 -0.352 9.672 899 HG3 LYS 112 HG1 LYS 112 13.017 -1.092 9.017 900 HD2 LYS 112 HD2 LYS 112 13.418 -0.850 11.332 901 HD3 LYS 112 HD1 LYS 112 14.312 0.462 10.562 902 HE2 LYS 112 HE2 LYS 112 13.276 1.588 12.273 903 HE3 LYS 112 HE1 LYS 112 12.104 1.803 10.974 904 HZ1 LYS 112 HZ1 LYS 112 10.926 1.157 12.910 905 HZ2 LYS 112 HZ2 LYS 112 11.971 -0.138 13.212 906 HZ3 LYS 112 HZ3 LYS 112 10.932 -0.185 11.878 907 H ASP 113 HN ASP 113 14.778 -0.795 8.970 908 HA ASP 113 HA ASP 113 17.102 0.709 9.502 909 HB2 ASP 113 HB2 ASP 113 16.148 -2.028 10.211 910 HB3 ASP 113 HB1 ASP 113 17.833 -1.607 10.509 911 H ALA 114 HN ALA 114 16.395 -0.916 6.748 912 HA ALA 114 HA ALA 114 19.213 -1.615 6.275 913 HB1 ALA 114 HB1 ALA 114 17.105 -3.279 6.137 914 HB2 ALA 114 HB2 ALA 114 18.584 -3.481 5.194 915 HB3 ALA 114 HB3 ALA 114 17.171 -2.711 4.468 916 H ASP 115 HN ASP 115 16.413 0.106 5.090 917 HA ASP 115 HA ASP 115 17.280 0.720 2.505 918 HB2 ASP 115 HB2 ASP 115 15.292 1.806 4.404 919 HB3 ASP 115 HB1 ASP 115 15.841 2.928 3.162 920 H2 PRO 59 HT1 PRO 59 -24.967 -4.620 9.046 921 H3 PRO 59 HT2 PRO 59 -25.619 -5.043 10.496 922 HA PRO 59 HA PRO 59 -27.467 -5.591 9.714 923 HB2 PRO 59 HB2 PRO 59 -28.016 -3.955 7.471 924 HB3 PRO 59 HB1 PRO 59 -28.737 -3.848 9.082 925 HG2 PRO 59 HG2 PRO 59 -26.459 -2.332 7.922 926 HG3 PRO 59 HG1 PRO 59 -27.667 -1.815 9.112 927 HD2 PRO 59 HD2 PRO 59 -25.170 -2.366 9.867 928 HD3 PRO 59 HD1 PRO 59 -26.545 -2.844 10.881 929 H GLY 60 HN GLY 60 -25.579 -4.320 6.955 930 HA2 GLY 60 HA2 GLY 60 -25.359 -7.067 5.936 931 HA3 GLY 60 HA1 GLY 60 -26.038 -5.830 4.889 932 H GLU 61 HN GLU 61 -24.701 -4.336 3.922 933 HA GLU 61 HA GLU 61 -21.849 -4.414 4.558 934 HB2 GLU 61 HB2 GLU 61 -23.099 -5.307 2.008 935 HB3 GLU 61 HB1 GLU 61 -21.599 -4.396 1.903 936 HG2 GLU 61 HG2 GLU 61 -21.626 -6.608 3.845 937 HG3 GLU 61 HG1 GLU 61 -21.720 -7.065 2.145 938 H GLU 62 HN GLU 62 -20.661 -2.602 3.752 939 HA GLU 62 HA GLU 62 -22.365 -0.252 3.365 940 HB2 GLU 62 HB2 GLU 62 -20.243 -0.678 5.053 941 HB3 GLU 62 HB1 GLU 62 -19.484 0.189 3.724 942 HG2 GLU 62 HG2 GLU 62 -20.115 1.866 5.192 943 HG3 GLU 62 HG1 GLU 62 -21.397 1.870 3.981 944 H GLU 63 HN GLU 63 -20.564 1.490 2.213 945 HA GLU 63 HA GLU 63 -19.940 0.252 -0.383 946 HB2 GLU 63 HB2 GLU 63 -22.007 2.062 0.075 947 HB3 GLU 63 HB1 GLU 63 -20.719 3.046 -0.605 948 HG2 GLU 63 HG2 GLU 63 -20.877 2.094 -2.637 949 HG3 GLU 63 HG1 GLU 63 -21.249 0.500 -1.983 950 H ASP 64 HN ASP 64 -18.739 2.143 -1.735 951 HA ASP 64 HA ASP 64 -16.404 2.797 -0.096 952 HB2 ASP 64 HB2 ASP 64 -16.753 2.781 -3.103 953 HB3 ASP 64 HB1 ASP 64 -15.248 3.127 -2.258 954 H ASP 65 HN ASP 65 -17.738 4.556 0.882 955 HA ASP 65 HA ASP 65 -17.155 7.031 -0.460 956 HB2 ASP 65 HB2 ASP 65 -19.606 6.066 -0.991 957 HB3 ASP 65 HB1 ASP 65 -19.951 6.898 0.523 958 H GLU 66 HN GLU 66 -15.734 7.286 1.291 959 HA GLU 66 HA GLU 66 -15.059 7.800 3.410 960 HB2 GLU 66 HB2 GLU 66 -16.126 9.734 4.343 961 HB3 GLU 66 HB1 GLU 66 -16.129 9.897 2.594 962 HG2 GLU 66 HG2 GLU 66 -18.524 8.695 3.862 963 HG3 GLU 66 HG1 GLU 66 -18.255 10.422 4.080 964 H ARG 67 HN ARG 67 -16.565 5.374 3.292 965 HA ARG 67 HA ARG 67 -17.388 5.247 6.057 966 HB2 ARG 67 HB2 ARG 67 -19.149 4.444 3.756 967 HB3 ARG 67 HB1 ARG 67 -19.402 3.858 5.394 968 HG2 ARG 67 HG2 ARG 67 -20.091 5.906 6.170 969 HG3 ARG 67 HG1 ARG 67 -19.225 6.792 4.914 970 HD2 ARG 67 HD2 ARG 67 -20.829 6.066 3.252 971 HD3 ARG 67 HD1 ARG 67 -21.661 5.077 4.451 972 HE ARG 67 HE ARG 67 -21.766 7.551 5.527 973 HH11 ARG 67 HH11 ARG 67 -22.612 6.293 2.384 974 HH12 ARG 67 HH12 ARG 67 -23.867 7.456 2.118 975 HH21 ARG 67 HH21 ARG 67 -23.417 9.081 5.180 976 HH22 ARG 67 HH22 ARG 67 -24.324 9.039 3.705 977 H GLY 68 HN GLY 68 -17.751 3.041 3.348 978 HA2 GLY 68 HA2 GLY 68 -16.347 0.989 4.837 979 HA3 GLY 68 HA1 GLY 68 -17.260 0.743 3.360 980 H ALA 69 HN ALA 69 -14.962 3.328 3.583 981 HA ALA 69 HA ALA 69 -12.714 1.908 2.585 982 HB1 ALA 69 HB1 ALA 69 -12.750 3.166 0.341 983 HB2 ALA 69 HB2 ALA 69 -14.480 3.343 0.633 984 HB3 ALA 69 HB3 ALA 69 -13.767 1.735 0.511 985 H ASP 70 HN ASP 70 -12.954 3.596 4.710 986 HA ASP 70 HA ASP 70 -11.061 5.647 4.020 987 HB2 ASP 70 HB2 ASP 70 -13.305 6.622 3.465 988 HB3 ASP 70 HB1 ASP 70 -13.700 6.529 5.176 989 H ALA 71 HN ALA 71 -10.569 3.586 5.647 990 HA ALA 71 HA ALA 71 -10.562 4.807 8.332 991 HB1 ALA 71 HB1 ALA 71 -11.964 2.592 7.866 992 HB2 ALA 71 HB2 ALA 71 -11.101 2.846 9.387 993 HB3 ALA 71 HB3 ALA 71 -10.387 1.845 8.119 994 H THR 72 HN THR 72 -8.706 3.865 5.719 995 HA THR 72 HA THR 72 -6.396 2.984 7.221 996 HB THR 72 HB THR 72 -5.708 3.685 4.540 997 HG1 THR 72 HG1 THR 72 -7.316 1.949 3.752 998 HG21 THR 72 HG21 THR 72 -5.102 1.433 4.307 999 HG22 THR 72 HG22 THR 72 -6.225 0.915 5.565 1000 HG23 THR 72 HG23 THR 72 -4.784 1.837 5.994 1001 H TRP 73 HN TRP 73 -7.788 5.925 6.602 1002 HA TRP 73 HA TRP 73 -5.346 7.434 6.249 1003 HB2 TRP 73 HB2 TRP 73 -7.977 8.665 6.997 1004 HB3 TRP 73 HB1 TRP 73 -6.707 9.308 5.961 1005 HD1 TRP 73 HD1 TRP 73 -9.857 9.022 5.167 1006 HE1 TRP 73 HE1 TRP 73 -10.455 7.761 3.005 1007 HE3 TRP 73 HE3 TRP 73 -5.577 6.340 4.604 1008 HZ2 TRP 73 HZ2 TRP 73 -9.253 5.860 1.288 1009 HZ3 TRP 73 HZ3 TRP 73 -5.360 4.824 2.677 1010 HH2 TRP 73 HH2 TRP 73 -7.160 4.599 1.064 1011 H ASP 74 HN ASP 74 -5.375 5.785 8.519 1012 HA ASP 74 HA ASP 74 -4.418 7.463 10.518 1013 HB2 ASP 74 HB2 ASP 74 -7.096 7.721 10.520 1014 HB3 ASP 74 HB1 ASP 74 -6.963 6.281 11.522 1015 H LEU 75 HN LEU 75 -3.702 5.084 9.193 1016 HA LEU 75 HA LEU 75 -3.933 3.020 11.263 1017 HB2 LEU 75 HB2 LEU 75 -3.799 2.992 8.346 1018 HB3 LEU 75 HB1 LEU 75 -2.739 1.822 9.105 1019 HG LEU 75 HG LEU 75 -4.805 0.768 8.567 1020 HD11 LEU 75 HD11 LEU 75 -3.813 0.995 11.246 1021 HD12 LEU 75 HD12 LEU 75 -4.470 -0.414 10.411 1022 HD13 LEU 75 HD13 LEU 75 -5.550 0.692 11.263 1023 HD21 LEU 75 HD21 LEU 75 -6.597 2.121 10.367 1024 HD22 LEU 75 HD22 LEU 75 -6.787 1.757 8.650 1025 HD23 LEU 75 HD23 LEU 75 -5.962 3.232 9.153 1026 H ASP 76 HN ASP 76 -1.439 3.165 8.827 1027 HA ASP 76 HA ASP 76 0.576 2.921 10.892 1028 HB2 ASP 76 HB2 ASP 76 0.416 1.482 8.766 1029 HB3 ASP 76 HB1 ASP 76 1.098 2.871 7.930 1030 H LEU 77 HN LEU 77 2.222 4.208 8.353 1031 HA LEU 77 HA LEU 77 3.189 6.196 7.901 1032 HB2 LEU 77 HB2 LEU 77 0.527 7.063 8.939 1033 HB3 LEU 77 HB1 LEU 77 1.774 8.270 8.678 1034 HG LEU 77 HG LEU 77 1.878 6.942 6.319 1035 HD11 LEU 77 HD11 LEU 77 0.129 5.543 6.234 1036 HD12 LEU 77 HD12 LEU 77 -0.789 7.005 5.875 1037 HD13 LEU 77 HD13 LEU 77 -0.738 6.378 7.523 1038 HD21 LEU 77 HD21 LEU 77 0.025 9.220 7.007 1039 HD22 LEU 77 HD22 LEU 77 0.611 8.810 5.395 1040 HD23 LEU 77 HD23 LEU 77 1.743 9.360 6.630 1041 H LEU 78 HN LEU 78 4.033 4.853 10.151 1042 HA LEU 78 HA LEU 78 5.046 7.076 11.746 1043 HB2 LEU 78 HB2 LEU 78 3.965 4.580 13.049 1044 HB3 LEU 78 HB1 LEU 78 4.628 5.988 13.851 1045 HG LEU 78 HG LEU 78 2.506 6.978 12.323 1046 HD11 LEU 78 HD11 LEU 78 1.538 4.584 13.858 1047 HD12 LEU 78 HD12 LEU 78 1.847 4.536 12.122 1048 HD13 LEU 78 HD13 LEU 78 0.629 5.633 12.771 1049 HD21 LEU 78 HD21 LEU 78 1.442 6.944 14.740 1050 HD22 LEU 78 HD22 LEU 78 2.801 7.997 14.344 1051 HD23 LEU 78 HD23 LEU 78 3.081 6.476 15.193 1052 H LEU 79 HN LEU 79 6.090 5.229 9.679 1053 HA LEU 79 HA LEU 79 8.214 3.937 11.262 1054 HB2 LEU 79 HB2 LEU 79 7.761 3.094 8.456 1055 HB3 LEU 79 HB1 LEU 79 8.261 2.149 9.844 1056 HG LEU 79 HG LEU 79 5.694 2.726 10.529 1057 HD11 LEU 79 HD11 LEU 79 5.934 3.040 7.620 1058 HD12 LEU 79 HD12 LEU 79 4.694 3.623 8.730 1059 HD13 LEU 79 HD13 LEU 79 4.647 1.958 8.152 1060 HD21 LEU 79 HD21 LEU 79 6.098 0.387 8.750 1061 HD22 LEU 79 HD22 LEU 79 5.364 0.482 10.351 1062 HD23 LEU 79 HD23 LEU 79 7.119 0.512 10.182 1063 H THR 80 HN THR 80 9.926 3.401 9.078 1064 HA THR 80 HA THR 80 11.554 5.603 8.999 1065 HB THR 80 HB THR 80 12.385 3.474 8.288 1066 HG1 THR 80 HG1 THR 80 13.561 4.155 6.611 1067 HG21 THR 80 HG21 THR 80 10.192 2.753 7.210 1068 HG22 THR 80 HG22 THR 80 11.693 2.242 6.438 1069 HG23 THR 80 HG23 THR 80 10.772 3.589 5.770 1070 H ASN 81 HN ASN 81 11.682 7.461 7.885 1071 HA ASN 81 HA ASN 81 10.087 7.841 5.477 1072 HB2 ASN 81 HB2 ASN 81 9.053 9.900 6.312 1073 HB3 ASN 81 HB1 ASN 81 8.589 8.522 7.305 1074 HD21 ASN 81 HD21 ASN 81 10.029 8.166 9.241 1075 HD22 ASN 81 HD22 ASN 81 10.495 9.574 10.127 1076 H PHE 82 HN PHE 82 10.416 10.457 4.995 1077 HA PHE 82 HA PHE 82 13.044 10.670 4.095 1078 HB2 PHE 82 HB2 PHE 82 12.515 13.002 3.581 1079 HB3 PHE 82 HB1 PHE 82 11.171 11.952 3.143 1080 HD1 PHE 82 HD1 PHE 82 12.382 14.191 5.850 1081 HD2 PHE 82 HD2 PHE 82 9.035 12.407 3.920 1082 HE1 PHE 82 HE1 PHE 82 10.866 15.577 7.205 1083 HE2 PHE 82 HE2 PHE 82 7.513 13.790 5.272 1084 HZ PHE 82 HZ PHE 82 8.429 15.378 6.916 1085 H SER 83 HN SER 83 11.594 11.628 7.123 1086 HA SER 83 HA SER 83 14.142 12.828 7.970 1087 HB2 SER 83 HB2 SER 83 11.302 13.331 8.681 1088 HB3 SER 83 HB1 SER 83 12.483 13.487 9.981 1089 HG SER 83 HG SER 83 12.354 15.462 9.004 1090 H GLY 84 HN GLY 84 14.622 12.491 10.363 1091 HA2 GLY 84 HA2 GLY 84 13.845 10.708 12.128 1092 HA3 GLY 84 HA1 GLY 84 14.438 9.616 10.886 1093 HA PRO 85 HA PRO 85 17.989 10.541 13.715 1094 HB2 PRO 85 HB2 PRO 85 18.951 8.004 13.758 1095 HB3 PRO 85 HB1 PRO 85 17.679 8.566 14.850 1096 HG2 PRO 85 HG2 PRO 85 17.439 6.997 12.311 1097 HG3 PRO 85 HG1 PRO 85 16.595 6.766 13.854 1098 HD2 PRO 85 HD2 PRO 85 15.447 8.004 11.738 1099 HD3 PRO 85 HD1 PRO 85 15.073 8.442 13.417 Start of MODEL 8 1 H2 PRO 1 HT1 PRO 1 2.282 -14.116 8.032 2 H3 PRO 1 HT2 PRO 1 3.618 -14.463 8.924 3 HA PRO 1 HA PRO 1 4.278 -15.163 7.064 4 HB2 PRO 1 HB2 PRO 1 3.380 -17.773 7.139 5 HB3 PRO 1 HB1 PRO 1 4.703 -17.127 8.120 6 HG2 PRO 1 HG2 PRO 1 2.148 -18.012 9.025 7 HG3 PRO 1 HG1 PRO 1 3.437 -17.270 9.985 8 HD2 PRO 1 HD2 PRO 1 1.016 -16.015 8.767 9 HD3 PRO 1 HD1 PRO 1 1.875 -15.592 10.262 10 H SER 2 HN SER 2 1.767 -13.869 6.531 11 HA SER 2 HA SER 2 0.731 -15.536 4.335 12 HB2 SER 2 HB2 SER 2 -0.616 -13.625 6.199 13 HB3 SER 2 HB1 SER 2 -1.253 -13.802 4.564 14 HG SER 2 HG SER 2 -1.362 -15.529 6.689 15 H HIS 3 HN HIS 3 1.155 -14.860 2.346 16 HA HIS 3 HA HIS 3 1.852 -12.027 1.940 17 HB2 HIS 3 HB2 HIS 3 2.795 -14.276 0.177 18 HB3 HIS 3 HB1 HIS 3 3.435 -12.642 0.293 19 HD1 HIS 3 HD1 HIS 3 3.519 -12.815 3.537 20 HD2 HIS 3 HD2 HIS 3 5.279 -15.402 0.803 21 HE1 HIS 3 HE1 HIS 3 5.406 -13.922 4.777 22 HE2 HIS 3 HE2 HIS 3 6.401 -15.546 3.128 23 H SER 4 HN SER 4 0.315 -14.846 0.536 24 HA SER 4 HA SER 4 -0.812 -13.275 -1.615 25 HB2 SER 4 HB2 SER 4 -1.832 -15.340 -2.386 26 HB3 SER 4 HB1 SER 4 -0.126 -15.615 -2.025 27 HG SER 4 HG SER 4 -2.406 -16.477 -0.632 28 H GLY 5 HN GLY 5 -2.742 -12.424 -1.698 29 HA2 GLY 5 HA2 GLY 5 -4.940 -13.304 -0.065 30 HA3 GLY 5 HA1 GLY 5 -4.275 -11.752 0.437 31 H ALA 6 HN ALA 6 -6.741 -11.438 -0.268 32 HA ALA 6 HA ALA 6 -6.762 -10.820 -3.135 33 HB1 ALA 6 HB1 ALA 6 -8.604 -12.189 -2.564 34 HB2 ALA 6 HB2 ALA 6 -9.238 -10.561 -2.811 35 HB3 ALA 6 HB3 ALA 6 -9.013 -11.181 -1.174 36 H ALA 7 HN ALA 7 -7.098 -8.826 -3.907 37 HA ALA 7 HA ALA 7 -7.652 -6.634 -2.079 38 HB1 ALA 7 HB1 ALA 7 -5.087 -7.139 -2.421 39 HB2 ALA 7 HB2 ALA 7 -5.693 -5.485 -2.353 40 HB3 ALA 7 HB3 ALA 7 -5.348 -6.234 -3.911 41 H ILE 8 HN ILE 8 -8.226 -4.637 -3.181 42 HA ILE 8 HA ILE 8 -8.857 -5.019 -6.020 43 HB ILE 8 HB ILE 8 -10.780 -3.981 -3.937 44 HG12 ILE 8 HG12 ILE 8 -11.381 -6.216 -5.808 45 HG13 ILE 8 HG11 ILE 8 -10.300 -6.546 -4.456 46 HG21 ILE 8 HG21 ILE 8 -10.729 -3.836 -6.910 47 HG22 ILE 8 HG22 ILE 8 -11.330 -2.663 -5.737 48 HG23 ILE 8 HG23 ILE 8 -12.281 -4.099 -6.115 49 HD11 ILE 8 HD11 ILE 8 -12.239 -5.337 -3.115 50 HD12 ILE 8 HD12 ILE 8 -12.268 -7.064 -3.472 51 HD13 ILE 8 HD13 ILE 8 -13.192 -5.941 -4.471 52 H PHE 9 HN PHE 9 -8.774 -3.238 -7.289 53 HA PHE 9 HA PHE 9 -8.321 -0.624 -6.086 54 HB2 PHE 9 HB2 PHE 9 -6.072 -1.547 -6.279 55 HB3 PHE 9 HB1 PHE 9 -6.353 -1.937 -7.972 56 HD1 PHE 9 HD1 PHE 9 -6.639 -0.108 -9.616 57 HD2 PHE 9 HD2 PHE 9 -5.399 0.611 -5.611 58 HE1 PHE 9 HE1 PHE 9 -5.795 2.112 -10.278 59 HE2 PHE 9 HE2 PHE 9 -4.556 2.830 -6.259 60 HZ PHE 9 HZ PHE 9 -4.754 3.583 -8.598 61 H GLU 10 HN GLU 10 -8.918 1.083 -7.397 62 HA GLU 10 HA GLU 10 -10.246 2.098 -8.939 63 HB2 GLU 10 HB2 GLU 10 -8.157 0.642 -10.392 64 HB3 GLU 10 HB1 GLU 10 -9.554 1.058 -11.375 65 HG2 GLU 10 HG2 GLU 10 -9.326 3.391 -10.729 66 HG3 GLU 10 HG1 GLU 10 -7.932 2.981 -9.729 67 H LYS 11 HN LYS 11 -11.393 -0.211 -7.725 68 HA LYS 11 HA LYS 11 -13.330 -1.388 -7.870 69 HB2 LYS 11 HB2 LYS 11 -13.849 -0.527 -10.679 70 HB3 LYS 11 HB1 LYS 11 -14.972 -0.719 -9.341 71 HG2 LYS 11 HG2 LYS 11 -13.696 1.327 -8.345 72 HG3 LYS 11 HG1 LYS 11 -13.211 1.591 -10.021 73 HD2 LYS 11 HD2 LYS 11 -15.300 2.181 -10.670 74 HD3 LYS 11 HD1 LYS 11 -16.078 1.046 -9.565 75 HE2 LYS 11 HE2 LYS 11 -15.311 2.623 -7.702 76 HE3 LYS 11 HE1 LYS 11 -15.001 3.789 -8.987 77 HZ1 LYS 11 HZ1 LYS 11 -17.331 3.572 -9.661 78 HZ2 LYS 11 HZ2 LYS 11 -17.187 4.124 -8.069 79 HZ3 LYS 11 HZ3 LYS 11 -17.611 2.514 -8.370 80 H VAL 12 HN VAL 12 -10.644 -2.241 -9.175 81 HA VAL 12 HA VAL 12 -11.774 -4.474 -10.738 82 HB VAL 12 HB VAL 12 -8.889 -3.629 -10.872 83 HG11 VAL 12 HG11 VAL 12 -9.150 -5.746 -11.804 84 HG12 VAL 12 HG12 VAL 12 -9.245 -4.674 -13.202 85 HG13 VAL 12 HG13 VAL 12 -10.719 -5.350 -12.506 86 HG21 VAL 12 HG21 VAL 12 -9.864 -2.638 -13.171 87 HG22 VAL 12 HG22 VAL 12 -9.654 -1.671 -11.712 88 HG23 VAL 12 HG23 VAL 12 -11.239 -2.334 -12.109 89 H SER 13 HN SER 13 -11.717 -6.378 -9.722 90 HA SER 13 HA SER 13 -10.099 -6.620 -7.335 91 HB2 SER 13 HB2 SER 13 -11.322 -8.748 -6.980 92 HB3 SER 13 HB1 SER 13 -12.402 -7.369 -7.188 93 HG SER 13 HG SER 13 -13.242 -8.837 -8.531 94 H GLY 14 HN GLY 14 -8.688 -8.240 -6.873 95 HA2 GLY 14 HA2 GLY 14 -7.785 -10.156 -8.796 96 HA3 GLY 14 HA1 GLY 14 -6.699 -8.776 -8.668 97 H ILE 15 HN ILE 15 -5.397 -10.871 -7.990 98 HA ILE 15 HA ILE 15 -5.714 -11.227 -5.084 99 HB ILE 15 HB ILE 15 -3.891 -12.945 -6.731 100 HG12 ILE 15 HG12 ILE 15 -6.847 -13.475 -6.349 101 HG13 ILE 15 HG11 ILE 15 -6.124 -12.920 -7.856 102 HG21 ILE 15 HG21 ILE 15 -3.602 -13.409 -4.484 103 HG22 ILE 15 HG22 ILE 15 -4.817 -14.602 -4.944 104 HG23 ILE 15 HG23 ILE 15 -5.304 -13.130 -4.102 105 HD11 ILE 15 HD11 ILE 15 -4.966 -14.944 -8.159 106 HD12 ILE 15 HD12 ILE 15 -6.602 -15.388 -7.670 107 HD13 ILE 15 HD13 ILE 15 -5.282 -15.461 -6.502 108 H ILE 16 HN ILE 16 -4.187 -10.574 -3.743 109 HA ILE 16 HA ILE 16 -1.870 -9.187 -4.879 110 HB ILE 16 HB ILE 16 -3.376 -7.819 -3.551 111 HG12 ILE 16 HG12 ILE 16 -1.013 -8.182 -1.754 112 HG13 ILE 16 HG11 ILE 16 -0.760 -7.672 -3.420 113 HG21 ILE 16 HG21 ILE 16 -4.393 -9.455 -2.141 114 HG22 ILE 16 HG22 ILE 16 -3.623 -8.239 -1.117 115 HG23 ILE 16 HG23 ILE 16 -2.851 -9.806 -1.355 116 HD11 ILE 16 HD11 ILE 16 -1.882 -6.204 -1.140 117 HD12 ILE 16 HD12 ILE 16 -2.709 -5.967 -2.682 118 HD13 ILE 16 HD13 ILE 16 -0.984 -5.622 -2.543 119 H ALA 17 HN ALA 17 0.141 -9.982 -4.540 120 HA ALA 17 HA ALA 17 0.592 -11.783 -2.259 121 HB1 ALA 17 HB1 ALA 17 1.547 -13.488 -3.569 122 HB2 ALA 17 HB2 ALA 17 1.586 -12.463 -5.006 123 HB3 ALA 17 HB3 ALA 17 0.042 -13.050 -4.381 124 H ILE 18 HN ILE 18 2.634 -11.792 -1.401 125 HA ILE 18 HA ILE 18 4.489 -9.757 -2.441 126 HB ILE 18 HB ILE 18 4.541 -11.106 0.259 127 HG12 ILE 18 HG12 ILE 18 3.948 -8.326 0.427 128 HG13 ILE 18 HG11 ILE 18 2.826 -9.047 -0.725 129 HG21 ILE 18 HG21 ILE 18 6.062 -8.760 -0.860 130 HG22 ILE 18 HG22 ILE 18 6.718 -10.328 -0.390 131 HG23 ILE 18 HG23 ILE 18 6.067 -9.241 0.837 132 HD11 ILE 18 HD11 ILE 18 2.287 -8.963 1.831 133 HD12 ILE 18 HD12 ILE 18 3.282 -10.418 1.863 134 HD13 ILE 18 HD13 ILE 18 1.840 -10.358 0.851 135 H ASN 19 HN ASN 19 6.608 -10.229 -2.858 136 HA ASN 19 HA ASN 19 7.357 -13.081 -2.900 137 HB2 ASN 19 HB2 ASN 19 6.837 -11.722 -5.139 138 HB3 ASN 19 HB1 ASN 19 8.515 -11.233 -4.920 139 HD21 ASN 19 HD21 ASN 19 9.072 -12.348 -6.816 140 HD22 ASN 19 HD22 ASN 19 9.222 -14.069 -6.836 141 H GLU 20 HN GLU 20 8.865 -13.406 -1.448 142 HA GLU 20 HA GLU 20 10.923 -11.349 -1.063 143 HB2 GLU 20 HB2 GLU 20 9.398 -12.389 0.867 144 HB3 GLU 20 HB1 GLU 20 10.650 -13.623 0.840 145 HG2 GLU 20 HG2 GLU 20 12.339 -11.832 1.159 146 HG3 GLU 20 HG1 GLU 20 11.017 -10.681 1.342 147 H ASP 21 HN ASP 21 10.786 -13.275 -3.207 148 HA ASP 21 HA ASP 21 13.056 -15.040 -2.624 149 HB2 ASP 21 HB2 ASP 21 10.773 -15.698 -3.838 150 HB3 ASP 21 HB1 ASP 21 11.652 -15.122 -5.252 151 H VAL 22 HN VAL 22 12.113 -12.233 -4.421 152 HA VAL 22 HA VAL 22 14.620 -12.254 -5.944 153 HB VAL 22 HB VAL 22 13.341 -9.895 -6.611 154 HG11 VAL 22 HG11 VAL 22 14.376 -11.209 -8.256 155 HG12 VAL 22 HG12 VAL 22 12.666 -11.198 -8.685 156 HG13 VAL 22 HG13 VAL 22 13.367 -12.609 -7.893 157 HG21 VAL 22 HG21 VAL 22 11.028 -10.483 -7.124 158 HG22 VAL 22 HG22 VAL 22 11.330 -10.549 -5.388 159 HG23 VAL 22 HG23 VAL 22 11.240 -12.041 -6.325 160 H SER 23 HN SER 23 15.755 -10.059 -6.109 161 HA SER 23 HA SER 23 16.816 -9.349 -3.671 162 HB2 SER 23 HB2 SER 23 17.028 -7.012 -5.184 163 HB3 SER 23 HB1 SER 23 18.193 -8.334 -5.119 164 HG SER 23 HG SER 23 17.684 -8.121 -7.238 165 HA PRO 24 HA PRO 24 13.905 -5.657 -3.084 166 HB2 PRO 24 HB2 PRO 24 12.232 -4.833 -5.000 167 HB3 PRO 24 HB1 PRO 24 13.942 -4.369 -5.013 168 HG2 PRO 24 HG2 PRO 24 12.542 -6.488 -6.596 169 HG3 PRO 24 HG1 PRO 24 13.799 -5.352 -7.116 170 HD2 PRO 24 HD2 PRO 24 14.272 -7.976 -6.427 171 HD3 PRO 24 HD1 PRO 24 15.485 -6.684 -6.343 172 H ALA 25 HN ALA 25 12.975 -7.389 -1.802 173 HA ALA 25 HA ALA 25 10.948 -9.106 -2.479 174 HB1 ALA 25 HB1 ALA 25 12.115 -8.369 -0.112 175 HB2 ALA 25 HB2 ALA 25 10.800 -9.529 -0.296 176 HB3 ALA 25 HB3 ALA 25 10.443 -7.849 0.099 177 H GLU 26 HN GLU 26 9.484 -8.378 -3.881 178 HA GLU 26 HA GLU 26 7.802 -6.110 -3.060 179 HB2 GLU 26 HB2 GLU 26 7.345 -5.873 -5.535 180 HB3 GLU 26 HB1 GLU 26 8.970 -5.458 -4.988 181 HG2 GLU 26 HG2 GLU 26 9.924 -7.112 -6.164 182 HG3 GLU 26 HG1 GLU 26 8.619 -8.249 -5.829 183 H LEU 27 HN LEU 27 5.581 -6.159 -4.170 184 HA LEU 27 HA LEU 27 4.528 -8.873 -4.217 185 HB2 LEU 27 HB2 LEU 27 2.569 -8.138 -2.958 186 HB3 LEU 27 HB1 LEU 27 4.035 -7.902 -2.026 187 HG LEU 27 HG LEU 27 3.878 -5.463 -3.060 188 HD11 LEU 27 HD11 LEU 27 0.994 -5.719 -2.660 189 HD12 LEU 27 HD12 LEU 27 1.591 -6.518 -4.114 190 HD13 LEU 27 HD13 LEU 27 1.899 -4.800 -3.863 191 HD21 LEU 27 HD21 LEU 27 1.987 -6.061 -0.831 192 HD22 LEU 27 HD22 LEU 27 3.159 -4.754 -0.992 193 HD23 LEU 27 HD23 LEU 27 3.707 -6.390 -0.627 194 H THR 28 HN THR 28 2.982 -9.245 -5.780 195 HA THR 28 HA THR 28 2.257 -6.878 -7.365 196 HB THR 28 HB THR 28 2.942 -9.628 -8.341 197 HG1 THR 28 HG1 THR 28 4.727 -8.750 -8.969 198 HG21 THR 28 HG21 THR 28 1.840 -7.335 -9.925 199 HG22 THR 28 HG22 THR 28 1.069 -8.899 -9.660 200 HG23 THR 28 HG23 THR 28 2.551 -8.796 -10.610 201 H TRP 29 HN TRP 29 0.301 -6.778 -8.293 202 HA TRP 29 HA TRP 29 -1.755 -8.496 -7.076 203 HB2 TRP 29 HB2 TRP 29 -1.779 -6.109 -6.433 204 HB3 TRP 29 HB1 TRP 29 -1.953 -5.667 -8.127 205 HD1 TRP 29 HD1 TRP 29 -3.904 -7.287 -5.252 206 HE1 TRP 29 HE1 TRP 29 -6.410 -7.106 -5.783 207 HE3 TRP 29 HE3 TRP 29 -3.582 -5.440 -10.006 208 HZ2 TRP 29 HZ2 TRP 29 -8.040 -6.286 -7.922 209 HZ3 TRP 29 HZ3 TRP 29 -5.687 -4.993 -11.224 210 HH2 TRP 29 HH2 TRP 29 -7.858 -5.407 -10.206 211 H ARG 30 HN ARG 30 -3.091 -9.639 -8.388 212 HA ARG 30 HA ARG 30 -3.070 -8.981 -11.264 213 HB2 ARG 30 HB2 ARG 30 -1.685 -11.042 -10.506 214 HB3 ARG 30 HB1 ARG 30 -3.248 -11.819 -10.300 215 HG2 ARG 30 HG2 ARG 30 -2.908 -10.473 -12.876 216 HG3 ARG 30 HG1 ARG 30 -1.793 -11.811 -12.595 217 HD2 ARG 30 HD2 ARG 30 -4.585 -12.343 -11.853 218 HD3 ARG 30 HD1 ARG 30 -4.312 -12.077 -13.574 219 HE ARG 30 HE ARG 30 -3.648 -14.394 -12.117 220 HH11 ARG 30 HH11 ARG 30 -2.373 -12.306 -14.605 221 HH12 ARG 30 HH12 ARG 30 -1.432 -13.557 -15.347 222 HH21 ARG 30 HH21 ARG 30 -2.411 -16.040 -13.091 223 HH22 ARG 30 HH22 ARG 30 -1.454 -15.676 -14.488 224 H SER 31 HN SER 31 -5.051 -8.568 -12.029 225 HA SER 31 HA SER 31 -7.375 -8.813 -10.504 226 HB2 SER 31 HB2 SER 31 -8.573 -8.492 -12.722 227 HB3 SER 31 HB1 SER 31 -7.393 -7.254 -12.295 228 HG SER 31 HG SER 31 -5.956 -8.149 -13.726 229 H THR 32 HN THR 32 -9.207 -10.186 -10.726 230 HA THR 32 HA THR 32 -8.547 -12.931 -10.929 231 HB THR 32 HB THR 32 -11.344 -12.717 -11.074 232 HG1 THR 32 HG1 THR 32 -10.351 -10.807 -9.242 233 HG21 THR 32 HG21 THR 32 -11.323 -13.807 -9.118 234 HG22 THR 32 HG22 THR 32 -10.167 -12.694 -8.385 235 HG23 THR 32 HG23 THR 32 -9.602 -13.972 -9.461 236 H ASP 33 HN ASP 33 -9.750 -10.614 -13.182 237 HA ASP 33 HA ASP 33 -10.843 -12.458 -15.044 238 HB2 ASP 33 HB2 ASP 33 -11.171 -9.848 -14.787 239 HB3 ASP 33 HB1 ASP 33 -9.825 -9.794 -15.921 240 H GLY 34 HN GLY 34 -7.687 -11.154 -14.458 241 HA2 GLY 34 HA2 GLY 34 -5.656 -12.043 -15.183 242 HA3 GLY 34 HA1 GLY 34 -6.536 -13.070 -16.305 243 H ASP 35 HN ASP 35 -7.102 -9.638 -16.159 244 HA ASP 35 HA ASP 35 -5.740 -9.351 -18.724 245 HB2 ASP 35 HB2 ASP 35 -8.400 -8.384 -17.796 246 HB3 ASP 35 HB1 ASP 35 -7.506 -7.395 -18.947 247 H LYS 36 HN LYS 36 -5.578 -8.465 -15.551 248 HA LYS 36 HA LYS 36 -3.799 -6.280 -16.164 249 HB2 LYS 36 HB2 LYS 36 -4.885 -4.576 -15.037 250 HB3 LYS 36 HB1 LYS 36 -6.182 -5.370 -15.910 251 HG2 LYS 36 HG2 LYS 36 -7.063 -6.318 -13.978 252 HG3 LYS 36 HG1 LYS 36 -5.581 -6.053 -13.057 253 HD2 LYS 36 HD2 LYS 36 -7.415 -3.900 -14.094 254 HD3 LYS 36 HD1 LYS 36 -7.344 -4.470 -12.426 255 HE2 LYS 36 HE2 LYS 36 -5.905 -2.765 -12.153 256 HE3 LYS 36 HE1 LYS 36 -4.742 -3.876 -12.876 257 HZ1 LYS 36 HZ1 LYS 36 -5.971 -1.492 -13.993 258 HZ2 LYS 36 HZ2 LYS 36 -5.793 -2.793 -15.058 259 HZ3 LYS 36 HZ3 LYS 36 -4.439 -2.154 -14.272 260 H VAL 37 HN VAL 37 -2.191 -6.059 -14.720 261 HA VAL 37 HA VAL 37 -2.403 -7.307 -12.102 262 HB VAL 37 HB VAL 37 -1.548 -9.119 -13.459 263 HG11 VAL 37 HG11 VAL 37 -0.679 -7.762 -15.305 264 HG12 VAL 37 HG12 VAL 37 0.502 -8.944 -14.741 265 HG13 VAL 37 HG13 VAL 37 0.665 -7.248 -14.285 266 HG21 VAL 37 HG21 VAL 37 -0.610 -9.195 -11.322 267 HG22 VAL 37 HG22 VAL 37 0.432 -7.806 -11.626 268 HG23 VAL 37 HG23 VAL 37 0.777 -9.352 -12.400 269 H HIS 38 HN HIS 38 -1.554 -5.961 -10.618 270 HA HIS 38 HA HIS 38 0.372 -3.945 -11.556 271 HB2 HIS 38 HB2 HIS 38 -1.917 -3.298 -10.516 272 HB3 HIS 38 HB1 HIS 38 -1.163 -3.728 -8.984 273 HD1 HIS 38 HD1 HIS 38 -0.441 -1.666 -7.844 274 HD2 HIS 38 HD2 HIS 38 0.163 -1.442 -11.949 275 HE1 HIS 38 HE1 HIS 38 0.641 0.568 -8.243 276 HE2 HIS 38 HE2 HIS 38 1.076 0.645 -10.723 277 H THR 39 HN THR 39 2.351 -4.521 -11.134 278 HA THR 39 HA THR 39 3.075 -6.058 -8.721 279 HB THR 39 HB THR 39 4.639 -5.187 -11.182 280 HG1 THR 39 HG1 THR 39 3.515 -6.885 -11.811 281 HG21 THR 39 HG21 THR 39 6.515 -5.532 -10.069 282 HG22 THR 39 HG22 THR 39 6.044 -7.226 -9.931 283 HG23 THR 39 HG23 THR 39 5.642 -6.090 -8.642 284 H VAL 40 HN VAL 40 3.302 -4.738 -6.968 285 HA VAL 40 HA VAL 40 4.523 -2.096 -7.327 286 HB VAL 40 HB VAL 40 3.257 -3.231 -4.829 287 HG11 VAL 40 HG11 VAL 40 3.349 -0.333 -5.238 288 HG12 VAL 40 HG12 VAL 40 4.933 -1.092 -5.075 289 HG13 VAL 40 HG13 VAL 40 3.725 -1.291 -3.805 290 HG21 VAL 40 HG21 VAL 40 1.630 -3.089 -6.662 291 HG22 VAL 40 HG22 VAL 40 2.047 -1.391 -6.892 292 HG23 VAL 40 HG23 VAL 40 1.287 -1.917 -5.390 293 H VAL 41 HN VAL 41 6.693 -2.087 -7.184 294 HA VAL 41 HA VAL 41 8.104 -4.128 -5.807 295 HB VAL 41 HB VAL 41 9.288 -1.513 -6.700 296 HG11 VAL 41 HG11 VAL 41 10.959 -3.849 -6.946 297 HG12 VAL 41 HG12 VAL 41 10.356 -3.702 -5.294 298 HG13 VAL 41 HG13 VAL 41 11.240 -2.366 -6.035 299 HG21 VAL 41 HG21 VAL 41 9.382 -3.994 -8.359 300 HG22 VAL 41 HG22 VAL 41 9.554 -2.309 -8.849 301 HG23 VAL 41 HG23 VAL 41 7.963 -2.950 -8.439 302 H LEU 42 HN LEU 42 7.720 -4.239 -3.699 303 HA LEU 42 HA LEU 42 7.237 -2.278 -1.857 304 HB2 LEU 42 HB2 LEU 42 8.813 -4.818 -1.546 305 HB3 LEU 42 HB1 LEU 42 8.243 -3.856 -0.194 306 HG LEU 42 HG LEU 42 6.360 -4.999 -2.249 307 HD11 LEU 42 HD11 LEU 42 7.772 -6.371 -0.083 308 HD12 LEU 42 HD12 LEU 42 6.919 -7.028 -1.482 309 HD13 LEU 42 HD13 LEU 42 6.019 -6.559 -0.041 310 HD21 LEU 42 HD21 LEU 42 4.955 -4.846 0.004 311 HD22 LEU 42 HD22 LEU 42 5.107 -3.489 -1.112 312 HD23 LEU 42 HD23 LEU 42 6.121 -3.563 0.329 313 H SER 43 HN SER 43 10.232 -3.020 -3.419 314 HA SER 43 HA SER 43 12.027 -1.907 -1.566 315 HB2 SER 43 HB2 SER 43 13.632 -2.318 -3.131 316 HB3 SER 43 HB1 SER 43 12.340 -3.229 -3.907 317 HG SER 43 HG SER 43 13.548 -0.886 -4.673 318 H THR 44 HN THR 44 10.519 -0.545 -4.433 319 HA THR 44 HA THR 44 11.457 2.090 -4.032 320 HB THR 44 HB THR 44 9.280 2.507 -5.517 321 HG1 THR 44 HG1 THR 44 8.461 0.761 -6.380 322 HG21 THR 44 HG21 THR 44 10.541 1.905 -7.539 323 HG22 THR 44 HG22 THR 44 11.744 1.113 -6.520 324 HG23 THR 44 HG23 THR 44 11.489 2.854 -6.394 325 H ILE 45 HN ILE 45 8.985 0.189 -2.597 326 HA ILE 45 HA ILE 45 7.322 2.381 -1.745 327 HB ILE 45 HB ILE 45 7.436 -0.434 -0.649 328 HG12 ILE 45 HG12 ILE 45 6.961 -0.348 -3.084 329 HG13 ILE 45 HG11 ILE 45 5.592 -0.937 -2.149 330 HG21 ILE 45 HG21 ILE 45 6.339 1.097 0.869 331 HG22 ILE 45 HG22 ILE 45 5.143 0.043 0.117 332 HG23 ILE 45 HG23 ILE 45 5.323 1.707 -0.437 333 HD11 ILE 45 HD11 ILE 45 4.291 0.662 -2.949 334 HD12 ILE 45 HD12 ILE 45 5.609 1.115 -4.030 335 HD13 ILE 45 HD13 ILE 45 5.438 1.912 -2.466 336 H ASP 46 HN ASP 46 7.417 3.536 0.109 337 HA ASP 46 HA ASP 46 9.522 2.817 2.043 338 HB2 ASP 46 HB2 ASP 46 9.872 4.877 0.498 339 HB3 ASP 46 HB1 ASP 46 8.691 5.656 1.548 340 H LYS 47 HN LYS 47 6.280 2.962 1.698 341 HA LYS 47 HA LYS 47 5.843 3.043 4.530 342 HB2 LYS 47 HB2 LYS 47 5.423 5.441 2.956 343 HB3 LYS 47 HB1 LYS 47 3.932 4.912 3.722 344 HG2 LYS 47 HG2 LYS 47 4.618 5.945 5.557 345 HG3 LYS 47 HG1 LYS 47 5.849 4.691 5.718 346 HD2 LYS 47 HD2 LYS 47 7.516 6.036 4.942 347 HD3 LYS 47 HD1 LYS 47 6.436 6.942 3.879 348 HE2 LYS 47 HE2 LYS 47 5.485 8.068 5.857 349 HE3 LYS 47 HE1 LYS 47 6.632 7.202 6.878 350 HZ1 LYS 47 HZ1 LYS 47 7.712 8.740 4.642 351 HZ2 LYS 47 HZ2 LYS 47 8.358 8.475 6.182 352 HZ3 LYS 47 HZ3 LYS 47 7.122 9.610 5.968 353 H LEU 48 HN LEU 48 3.779 2.317 5.150 354 HA LEU 48 HA LEU 48 1.839 1.593 3.134 355 HB2 LEU 48 HB2 LEU 48 1.941 -0.721 3.327 356 HB3 LEU 48 HB1 LEU 48 3.629 -0.254 3.262 357 HG LEU 48 HG LEU 48 2.239 -0.723 5.889 358 HD11 LEU 48 HD11 LEU 48 2.696 -2.983 5.855 359 HD12 LEU 48 HD12 LEU 48 3.849 -2.838 4.529 360 HD13 LEU 48 HD13 LEU 48 2.120 -2.688 4.215 361 HD21 LEU 48 HD21 LEU 48 4.712 0.290 5.264 362 HD22 LEU 48 HD22 LEU 48 5.052 -1.414 5.570 363 HD23 LEU 48 HD23 LEU 48 4.256 -0.438 6.804 364 H GLN 49 HN GLN 49 -0.174 0.778 4.100 365 HA GLN 49 HA GLN 49 -0.387 1.054 6.989 366 HB2 GLN 49 HB2 GLN 49 -2.313 2.618 5.301 367 HB3 GLN 49 HB1 GLN 49 -1.979 2.767 7.021 368 HG2 GLN 49 HG2 GLN 49 0.396 3.470 6.200 369 HG3 GLN 49 HG1 GLN 49 -0.450 3.822 4.694 370 HE21 GLN 49 HE21 GLN 49 -0.476 4.474 8.160 371 HE22 GLN 49 HE22 GLN 49 -1.145 6.061 8.041 372 H ALA 50 HN ALA 50 -2.472 0.393 7.832 373 HA ALA 50 HA ALA 50 -4.177 -1.173 6.068 374 HB1 ALA 50 HB1 ALA 50 -2.278 -2.633 6.967 375 HB2 ALA 50 HB2 ALA 50 -3.927 -3.223 7.163 376 HB3 ALA 50 HB3 ALA 50 -3.082 -2.493 8.528 377 H THR 51 HN THR 51 -6.125 -1.987 7.256 378 HA THR 51 HA THR 51 -7.012 0.113 9.047 379 HB THR 51 HB THR 51 -9.249 -0.875 8.715 380 HG1 THR 51 HG1 THR 51 -9.079 -2.947 8.277 381 HG21 THR 51 HG21 THR 51 -7.697 -0.417 6.180 382 HG22 THR 51 HG22 THR 51 -8.509 0.809 7.149 383 HG23 THR 51 HG23 THR 51 -9.452 -0.432 6.326 384 HA PRO 52 HA PRO 52 -6.551 -2.649 12.549 385 HB2 PRO 52 HB2 PRO 52 -6.355 -0.771 14.396 386 HB3 PRO 52 HB1 PRO 52 -5.089 -0.928 13.171 387 HG2 PRO 52 HG2 PRO 52 -7.303 1.063 13.364 388 HG3 PRO 52 HG1 PRO 52 -5.637 1.289 12.814 389 HD2 PRO 52 HD2 PRO 52 -7.897 0.871 11.184 390 HD3 PRO 52 HD1 PRO 52 -6.202 0.804 10.672 391 H ALA 53 HN ALA 53 -7.730 -2.992 14.598 392 HA ALA 53 HA ALA 53 -10.467 -3.194 14.307 393 HB1 ALA 53 HB1 ALA 53 -8.828 -3.062 16.829 394 HB2 ALA 53 HB2 ALA 53 -9.315 -4.505 15.939 395 HB3 ALA 53 HB3 ALA 53 -10.527 -3.532 16.772 396 H SER 54 HN SER 54 -8.832 -0.299 14.622 397 HA SER 54 HA SER 54 -10.390 1.217 16.375 398 HB2 SER 54 HB2 SER 54 -9.038 2.054 13.823 399 HB3 SER 54 HB1 SER 54 -9.554 3.148 15.110 400 HG SER 54 HG SER 54 -7.605 1.091 15.336 401 H SER 55 HN SER 55 -10.853 0.219 13.115 402 HA SER 55 HA SER 55 -13.570 1.307 13.162 403 HB2 SER 55 HB2 SER 55 -11.584 2.489 11.765 404 HB3 SER 55 HB1 SER 55 -12.193 1.362 10.560 405 HG SER 55 HG SER 55 -14.344 2.270 11.210 406 H GLU 56 HN GLU 56 -14.812 0.378 11.162 407 HA GLU 56 HA GLU 56 -14.395 -2.513 11.231 408 HB2 GLU 56 HB2 GLU 56 -16.781 -1.055 10.106 409 HB3 GLU 56 HB1 GLU 56 -16.677 -2.742 10.592 410 HG2 GLU 56 HG2 GLU 56 -16.702 -2.214 12.862 411 HG3 GLU 56 HG1 GLU 56 -16.282 -0.528 12.567 412 H LYS 57 HN LYS 57 -12.786 -0.710 9.522 413 HA LYS 57 HA LYS 57 -13.646 -1.563 6.874 414 HB2 LYS 57 HB2 LYS 57 -11.366 0.007 6.533 415 HB3 LYS 57 HB1 LYS 57 -13.029 0.486 6.248 416 HG2 LYS 57 HG2 LYS 57 -11.724 0.744 8.934 417 HG3 LYS 57 HG1 LYS 57 -11.620 2.000 7.702 418 HD2 LYS 57 HD2 LYS 57 -14.322 1.345 7.810 419 HD3 LYS 57 HD1 LYS 57 -13.803 1.349 9.493 420 HE2 LYS 57 HE2 LYS 57 -12.713 3.594 8.984 421 HE3 LYS 57 HE1 LYS 57 -13.634 3.577 7.481 422 HZ1 LYS 57 HZ1 LYS 57 -15.139 4.627 8.761 423 HZ2 LYS 57 HZ2 LYS 57 -14.545 3.988 10.210 424 HZ3 LYS 57 HZ3 LYS 57 -15.560 3.056 9.229 425 H MET 58 HN MET 58 -12.198 -2.559 5.421 426 HA MET 58 HA MET 58 -9.830 -3.806 6.636 427 HB2 MET 58 HB2 MET 58 -10.475 -5.847 5.170 428 HB3 MET 58 HB1 MET 58 -11.294 -5.614 6.709 429 HG2 MET 58 HG2 MET 58 -12.585 -4.341 4.402 430 HG3 MET 58 HG1 MET 58 -12.541 -6.103 4.367 431 HE1 MET 58 HE1 MET 58 -16.026 -6.232 5.709 432 HE2 MET 58 HE2 MET 58 -14.732 -7.153 4.939 433 HE3 MET 58 HE3 MET 58 -15.264 -5.620 4.240 434 H MET 59 HN MET 59 -8.551 -2.276 5.520 435 HA MET 59 HA MET 59 -8.101 -2.974 2.738 436 HB2 MET 59 HB2 MET 59 -8.326 -0.757 1.878 437 HB3 MET 59 HB1 MET 59 -9.791 -1.111 2.775 438 HG2 MET 59 HG2 MET 59 -7.834 0.129 4.472 439 HG3 MET 59 HG1 MET 59 -8.115 1.097 3.032 440 HE1 MET 59 HE1 MET 59 -9.751 3.219 5.122 441 HE2 MET 59 HE2 MET 59 -8.347 2.221 5.487 442 HE3 MET 59 HE3 MET 59 -9.798 2.099 6.481 443 H LEU 60 HN LEU 60 -6.080 -2.272 1.903 444 HA LEU 60 HA LEU 60 -4.128 -1.548 3.991 445 HB2 LEU 60 HB2 LEU 60 -3.741 -3.186 1.479 446 HB3 LEU 60 HB1 LEU 60 -2.441 -2.678 2.536 447 HG LEU 60 HG LEU 60 -4.654 -4.627 3.170 448 HD11 LEU 60 HD11 LEU 60 -2.344 -5.857 3.793 449 HD12 LEU 60 HD12 LEU 60 -1.791 -4.817 2.480 450 HD13 LEU 60 HD13 LEU 60 -3.104 -5.962 2.203 451 HD21 LEU 60 HD21 LEU 60 -3.454 -4.843 5.379 452 HD22 LEU 60 HD22 LEU 60 -4.392 -3.366 5.156 453 HD23 LEU 60 HD23 LEU 60 -2.637 -3.330 4.986 454 H ARG 61 HN ARG 61 -2.201 -0.334 3.124 455 HA ARG 61 HA ARG 61 -2.748 1.213 0.713 456 HB2 ARG 61 HB2 ARG 61 -3.774 2.392 2.707 457 HB3 ARG 61 HB1 ARG 61 -2.138 2.615 3.313 458 HG2 ARG 61 HG2 ARG 61 -1.841 3.599 0.833 459 HG3 ARG 61 HG1 ARG 61 -3.545 3.965 1.105 460 HD2 ARG 61 HD2 ARG 61 -2.225 4.666 3.475 461 HD3 ARG 61 HD1 ARG 61 -1.204 5.258 2.166 462 HE ARG 61 HE ARG 61 -3.652 6.368 3.009 463 HH11 ARG 61 HH11 ARG 61 -1.879 5.630 0.095 464 HH12 ARG 61 HH12 ARG 61 -2.619 6.896 -0.825 465 HH21 ARG 61 HH21 ARG 61 -4.627 8.034 1.800 466 HH22 ARG 61 HH22 ARG 61 -4.179 8.261 0.142 467 H LEU 62 HN LEU 62 -0.936 2.148 -0.230 468 HA LEU 62 HA LEU 62 1.647 1.582 1.055 469 HB2 LEU 62 HB2 LEU 62 1.412 1.289 -1.898 470 HB3 LEU 62 HB1 LEU 62 2.527 0.520 -0.786 471 HG LEU 62 HG LEU 62 -0.394 -0.192 -0.832 472 HD11 LEU 62 HD11 LEU 62 0.223 -2.099 -2.263 473 HD12 LEU 62 HD12 LEU 62 1.831 -1.402 -2.464 474 HD13 LEU 62 HD13 LEU 62 0.416 -0.546 -3.077 475 HD21 LEU 62 HD21 LEU 62 0.859 -0.872 1.136 476 HD22 LEU 62 HD22 LEU 62 2.077 -1.638 0.115 477 HD23 LEU 62 HD23 LEU 62 0.435 -2.278 0.158 478 H ILE 63 HN ILE 63 3.309 3.023 0.600 479 HA ILE 63 HA ILE 63 2.598 5.361 -1.031 480 HB ILE 63 HB ILE 63 3.604 5.325 1.788 481 HG12 ILE 63 HG12 ILE 63 1.885 7.491 1.238 482 HG13 ILE 63 HG11 ILE 63 1.208 6.097 0.400 483 HG21 ILE 63 HG21 ILE 63 4.130 7.743 1.554 484 HG22 ILE 63 HG22 ILE 63 4.007 7.553 -0.196 485 HG23 ILE 63 HG23 ILE 63 5.249 6.678 0.701 486 HD11 ILE 63 HD11 ILE 63 0.345 6.401 2.684 487 HD12 ILE 63 HD12 ILE 63 1.977 6.136 3.298 488 HD13 ILE 63 HD13 ILE 63 1.139 4.847 2.432 489 H GLY 64 HN GLY 64 3.951 5.155 -2.723 490 HA2 GLY 64 HA2 GLY 64 6.470 3.924 -2.684 491 HA3 GLY 64 HA1 GLY 64 5.901 5.028 -3.926 492 H LYS 65 HN LYS 65 8.259 5.564 -3.901 493 HA LYS 65 HA LYS 65 9.108 7.230 -1.668 494 HB2 LYS 65 HB2 LYS 65 10.500 5.510 -3.211 495 HB3 LYS 65 HB1 LYS 65 10.801 7.004 -4.088 496 HG2 LYS 65 HG2 LYS 65 12.486 7.310 -2.669 497 HG3 LYS 65 HG1 LYS 65 11.250 7.740 -1.485 498 HD2 LYS 65 HD2 LYS 65 11.146 5.174 -1.061 499 HD3 LYS 65 HD1 LYS 65 12.736 5.167 -1.826 500 HE2 LYS 65 HE2 LYS 65 11.878 6.579 0.685 501 HE3 LYS 65 HE1 LYS 65 13.131 5.354 0.494 502 HZ1 LYS 65 HZ1 LYS 65 13.202 8.159 -0.468 503 HZ2 LYS 65 HZ2 LYS 65 14.346 6.993 -0.906 504 HZ3 LYS 65 HZ3 LYS 65 14.187 7.452 0.714 505 H VAL 66 HN VAL 66 10.608 9.163 -2.729 506 HA VAL 66 HA VAL 66 8.677 10.772 -4.266 507 HB VAL 66 HB VAL 66 10.058 12.733 -3.312 508 HG11 VAL 66 HG11 VAL 66 8.498 11.267 -1.221 509 HG12 VAL 66 HG12 VAL 66 7.706 11.874 -2.675 510 HG13 VAL 66 HG13 VAL 66 8.530 12.992 -1.588 511 HG21 VAL 66 HG21 VAL 66 11.829 11.112 -2.438 512 HG22 VAL 66 HG22 VAL 66 10.690 10.758 -1.139 513 HG23 VAL 66 HG23 VAL 66 11.302 12.398 -1.352 514 H ASP 67 HN ASP 67 9.252 11.560 -6.189 515 HA ASP 67 HA ASP 67 12.101 11.547 -6.922 516 HB2 ASP 67 HB2 ASP 67 9.760 10.404 -8.410 517 HB3 ASP 67 HB1 ASP 67 11.174 10.977 -9.290 518 H GLU 68 HN GLU 68 12.343 13.749 -6.688 519 HA GLU 68 HA GLU 68 10.509 15.642 -7.745 520 HB2 GLU 68 HB2 GLU 68 12.166 17.310 -7.145 521 HB3 GLU 68 HB1 GLU 68 11.998 16.136 -5.846 522 HG2 GLU 68 HG2 GLU 68 14.032 15.015 -6.584 523 HG3 GLU 68 HG1 GLU 68 14.197 16.175 -7.901 524 H SER 69 HN SER 69 13.106 13.848 -9.098 525 HA SER 69 HA SER 69 14.089 15.474 -11.084 526 HB2 SER 69 HB2 SER 69 13.564 12.504 -11.094 527 HB3 SER 69 HB1 SER 69 14.414 13.327 -12.402 528 HG SER 69 HG SER 69 16.015 13.913 -10.968 529 H LYS 70 HN LYS 70 10.966 14.018 -10.890 530 HA LYS 70 HA LYS 70 10.354 14.678 -13.654 531 HB2 LYS 70 HB2 LYS 70 8.274 13.423 -13.270 532 HB3 LYS 70 HB1 LYS 70 9.700 12.463 -12.889 533 HG2 LYS 70 HG2 LYS 70 8.928 13.836 -10.537 534 HG3 LYS 70 HG1 LYS 70 7.484 13.088 -11.231 535 HD2 LYS 70 HD2 LYS 70 10.076 11.615 -10.792 536 HD3 LYS 70 HD1 LYS 70 8.762 11.646 -9.614 537 HE2 LYS 70 HE2 LYS 70 7.267 10.774 -11.459 538 HE3 LYS 70 HE1 LYS 70 8.735 10.498 -12.396 539 HZ1 LYS 70 HZ1 LYS 70 9.509 9.167 -10.395 540 HZ2 LYS 70 HZ2 LYS 70 8.294 8.476 -11.349 541 HZ3 LYS 70 HZ3 LYS 70 7.900 9.203 -9.873 542 H LYS 71 HN LYS 71 10.532 16.494 -11.099 543 HA LYS 71 HA LYS 71 8.073 17.541 -10.449 544 HB2 LYS 71 HB2 LYS 71 9.189 19.407 -9.588 545 HB3 LYS 71 HB1 LYS 71 10.384 18.124 -9.503 546 HG2 LYS 71 HG2 LYS 71 10.599 19.473 -12.020 547 HG3 LYS 71 HG1 LYS 71 10.626 20.649 -10.707 548 HD2 LYS 71 HD2 LYS 71 12.392 18.213 -10.933 549 HD3 LYS 71 HD1 LYS 71 12.879 19.872 -11.281 550 HE2 LYS 71 HE2 LYS 71 12.917 20.473 -9.074 551 HE3 LYS 71 HE1 LYS 71 11.696 19.287 -8.617 552 HZ1 LYS 71 HZ1 LYS 71 13.481 17.572 -9.131 553 HZ2 LYS 71 HZ2 LYS 71 13.674 18.484 -7.720 554 HZ3 LYS 71 HZ3 LYS 71 14.580 18.859 -9.098 555 H ARG 72 HN ARG 72 8.009 20.207 -11.027 556 HA ARG 72 HA ARG 72 8.101 20.735 -13.832 557 HB2 ARG 72 HB2 ARG 72 5.635 21.074 -14.076 558 HB3 ARG 72 HB1 ARG 72 6.109 19.391 -13.897 559 HG2 ARG 72 HG2 ARG 72 5.237 21.010 -11.535 560 HG3 ARG 72 HG1 ARG 72 4.066 20.228 -12.599 561 HD2 ARG 72 HD2 ARG 72 6.254 18.908 -11.000 562 HD3 ARG 72 HD1 ARG 72 4.515 18.766 -10.752 563 HE ARG 72 HE ARG 72 6.107 17.286 -12.593 564 HH11 ARG 72 HH11 ARG 72 2.929 18.648 -12.116 565 HH12 ARG 72 HH12 ARG 72 2.147 17.507 -13.159 566 HH21 ARG 72 HH21 ARG 72 5.080 15.786 -13.965 567 HH22 ARG 72 HH22 ARG 72 3.368 15.882 -14.208 568 H LYS 73 HN LYS 73 8.178 22.898 -14.167 569 HA LYS 73 HA LYS 73 8.533 24.647 -12.030 570 HB2 LYS 73 HB2 LYS 73 7.638 25.578 -14.752 571 HB3 LYS 73 HB1 LYS 73 8.709 26.389 -13.619 572 HG2 LYS 73 HG2 LYS 73 9.312 23.965 -15.293 573 HG3 LYS 73 HG1 LYS 73 10.024 25.573 -15.423 574 HD2 LYS 73 HD2 LYS 73 10.612 25.015 -12.859 575 HD3 LYS 73 HD1 LYS 73 10.607 23.383 -13.529 576 HE2 LYS 73 HE2 LYS 73 12.044 24.594 -15.418 577 HE3 LYS 73 HE1 LYS 73 12.430 25.658 -14.066 578 HZ1 LYS 73 HZ1 LYS 73 12.626 22.754 -13.687 579 HZ2 LYS 73 HZ2 LYS 73 13.501 23.996 -12.943 580 HZ3 LYS 73 HZ3 LYS 73 13.856 23.549 -14.535 581 H ASP 74 HN ASP 74 7.093 26.941 -12.515 582 HA ASP 74 HA ASP 74 4.293 26.494 -12.609 583 HB2 ASP 74 HB2 ASP 74 5.617 26.241 -10.036 584 HB3 ASP 74 HB1 ASP 74 4.416 27.529 -10.021 585 H ASN 75 HN ASN 75 6.429 28.696 -10.786 586 HA ASN 75 HA ASN 75 5.486 30.879 -12.462 587 HB2 ASN 75 HB2 ASN 75 5.226 30.585 -9.549 588 HB3 ASN 75 HB1 ASN 75 5.804 32.156 -10.095 589 HD21 ASN 75 HD21 ASN 75 4.501 33.226 -11.773 590 HD22 ASN 75 HD22 ASN 75 2.785 33.038 -11.717 591 H GLU 76 HN GLU 76 7.558 30.995 -9.645 592 HA GLU 76 HA GLU 76 9.641 32.201 -11.251 593 HB2 GLU 76 HB2 GLU 76 9.020 32.104 -8.337 594 HB3 GLU 76 HB1 GLU 76 10.678 32.414 -8.834 595 HG2 GLU 76 HG2 GLU 76 8.704 34.037 -10.244 596 HG3 GLU 76 HG1 GLU 76 8.739 34.302 -8.501 597 H GLY 77 HN GLY 77 9.331 29.499 -11.782 598 HA2 GLY 77 HA2 GLY 77 10.513 27.538 -11.935 599 HA3 GLY 77 HA1 GLY 77 11.926 28.527 -11.599 600 H ASN 78 HN ASN 78 9.206 28.029 -9.416 601 HA ASN 78 HA ASN 78 11.002 27.187 -7.329 602 HB2 ASN 78 HB2 ASN 78 7.993 27.484 -7.400 603 HB3 ASN 78 HB1 ASN 78 8.910 27.058 -5.959 604 HD21 ASN 78 HD21 ASN 78 7.428 29.178 -5.675 605 HD22 ASN 78 HD22 ASN 78 8.345 30.641 -5.746 606 H GLU 79 HN GLU 79 8.468 25.706 -9.293 607 HA GLU 79 HA GLU 79 7.778 23.546 -9.543 608 HB2 GLU 79 HB2 GLU 79 10.496 22.492 -8.995 609 HB3 GLU 79 HB1 GLU 79 9.412 22.171 -10.340 610 HG2 GLU 79 HG2 GLU 79 10.829 23.395 -11.534 611 HG3 GLU 79 HG1 GLU 79 10.066 24.784 -10.763 612 H VAL 80 HN VAL 80 8.649 21.127 -8.474 613 HA VAL 80 HA VAL 80 9.062 21.090 -5.708 614 HB VAL 80 HB VAL 80 6.882 22.150 -5.512 615 HG11 VAL 80 HG11 VAL 80 5.676 21.630 -7.419 616 HG12 VAL 80 HG12 VAL 80 4.879 20.642 -6.194 617 HG13 VAL 80 HG13 VAL 80 6.039 19.908 -7.302 618 HG21 VAL 80 HG21 VAL 80 5.836 20.584 -3.994 619 HG22 VAL 80 HG22 VAL 80 7.589 20.490 -3.823 620 HG23 VAL 80 HG23 VAL 80 6.721 19.243 -4.721 621 H VAL 81 HN VAL 81 8.942 18.989 -4.799 622 HA VAL 81 HA VAL 81 9.371 16.907 -6.707 623 HB VAL 81 HB VAL 81 10.704 17.024 -4.651 624 HG11 VAL 81 HG11 VAL 81 9.866 17.067 -2.562 625 HG12 VAL 81 HG12 VAL 81 8.566 15.938 -2.946 626 HG13 VAL 81 HG13 VAL 81 8.409 17.643 -3.372 627 HG21 VAL 81 HG21 VAL 81 9.234 14.496 -4.244 628 HG22 VAL 81 HG22 VAL 81 10.953 14.780 -4.514 629 HG23 VAL 81 HG23 VAL 81 9.831 14.800 -5.875 630 HA PRO 82 HA PRO 82 4.971 15.904 -6.980 631 HB2 PRO 82 HB2 PRO 82 6.202 13.483 -8.222 632 HB3 PRO 82 HB1 PRO 82 4.863 14.484 -8.797 633 HG2 PRO 82 HG2 PRO 82 7.251 14.713 -9.911 634 HG3 PRO 82 HG1 PRO 82 6.285 16.162 -9.571 635 HD2 PRO 82 HD2 PRO 82 8.636 15.059 -8.088 636 HD3 PRO 82 HD1 PRO 82 8.218 16.749 -8.439 637 H LYS 83 HN LYS 83 4.015 15.221 -5.176 638 HA LYS 83 HA LYS 83 5.006 13.660 -3.172 639 HB2 LYS 83 HB2 LYS 83 2.144 13.877 -4.112 640 HB3 LYS 83 HB1 LYS 83 2.623 13.148 -2.585 641 HG2 LYS 83 HG2 LYS 83 2.382 15.168 -1.697 642 HG3 LYS 83 HG1 LYS 83 3.872 15.605 -2.536 643 HD2 LYS 83 HD2 LYS 83 2.324 17.262 -3.150 644 HD3 LYS 83 HD1 LYS 83 2.384 16.166 -4.532 645 HE2 LYS 83 HE2 LYS 83 0.379 14.997 -3.491 646 HE3 LYS 83 HE1 LYS 83 0.255 16.393 -2.421 647 HZ1 LYS 83 HZ1 LYS 83 0.302 17.707 -4.633 648 HZ2 LYS 83 HZ2 LYS 83 -1.136 16.967 -4.139 649 HZ3 LYS 83 HZ3 LYS 83 -0.176 16.240 -5.327 650 HA PRO 84 HA PRO 84 5.460 9.494 -4.546 651 HB2 PRO 84 HB2 PRO 84 4.233 8.720 -1.949 652 HB3 PRO 84 HB1 PRO 84 5.778 8.233 -2.654 653 HG2 PRO 84 HG2 PRO 84 5.689 9.982 -0.647 654 HG3 PRO 84 HG1 PRO 84 6.852 10.171 -1.974 655 HD2 PRO 84 HD2 PRO 84 4.302 11.642 -1.460 656 HD3 PRO 84 HD1 PRO 84 5.841 12.242 -2.109 657 H GLN 85 HN GLN 85 4.265 7.776 -5.367 658 HA GLN 85 HA GLN 85 1.508 8.325 -5.899 659 HB2 GLN 85 HB2 GLN 85 3.306 7.105 -7.369 660 HB3 GLN 85 HB1 GLN 85 2.781 5.678 -6.485 661 HG2 GLN 85 HG2 GLN 85 1.325 5.506 -8.183 662 HG3 GLN 85 HG1 GLN 85 0.395 6.653 -7.220 663 HE21 GLN 85 HE21 GLN 85 -0.151 8.523 -8.117 664 HE22 GLN 85 HE22 GLN 85 0.472 9.144 -9.604 665 H ARG 86 HN ARG 86 0.746 8.340 -3.678 666 HA ARG 86 HA ARG 86 0.718 5.854 -2.211 667 HB2 ARG 86 HB2 ARG 86 -0.946 8.275 -1.563 668 HB3 ARG 86 HB1 ARG 86 -0.321 7.052 -0.467 669 HG2 ARG 86 HG2 ARG 86 1.944 7.884 -0.814 670 HG3 ARG 86 HG1 ARG 86 1.329 9.100 -1.934 671 HD2 ARG 86 HD2 ARG 86 0.298 10.315 -0.255 672 HD3 ARG 86 HD1 ARG 86 0.232 8.935 0.841 673 HE ARG 86 HE ARG 86 2.888 9.387 0.560 674 HH11 ARG 86 HH11 ARG 86 0.189 11.422 1.427 675 HH12 ARG 86 HH12 ARG 86 1.136 12.462 2.436 676 HH21 ARG 86 HH21 ARG 86 4.136 10.753 1.886 677 HH22 ARG 86 HH22 ARG 86 3.377 12.083 2.697 678 H HIS 87 HN HIS 87 -0.686 4.272 -2.548 679 HA HIS 87 HA HIS 87 -3.327 4.956 -3.669 680 HB2 HIS 87 HB2 HIS 87 -3.080 2.367 -4.379 681 HB3 HIS 87 HB1 HIS 87 -2.577 3.701 -5.410 682 HD1 HIS 87 HD1 HIS 87 -0.188 3.714 -6.122 683 HD2 HIS 87 HD2 HIS 87 -0.852 1.190 -2.890 684 HE1 HIS 87 HE1 HIS 87 1.984 2.500 -5.761 685 HE2 HIS 87 HE2 HIS 87 1.531 0.914 -3.856 686 H MET 88 HN MET 88 -5.114 3.666 -2.990 687 HA MET 88 HA MET 88 -4.672 2.384 -0.373 688 HB2 MET 88 HB2 MET 88 -6.009 4.463 -0.262 689 HB3 MET 88 HB1 MET 88 -7.176 3.758 -1.371 690 HG2 MET 88 HG2 MET 88 -7.780 2.081 0.237 691 HG3 MET 88 HG1 MET 88 -6.502 2.608 1.329 692 HE1 MET 88 HE1 MET 88 -9.284 2.962 3.221 693 HE2 MET 88 HE2 MET 88 -8.393 4.387 3.732 694 HE3 MET 88 HE3 MET 88 -7.524 2.924 3.266 695 H PHE 89 HN PHE 89 -4.859 0.273 -0.429 696 HA PHE 89 HA PHE 89 -6.426 -1.018 -2.528 697 HB2 PHE 89 HB2 PHE 89 -4.018 -1.630 -1.135 698 HB3 PHE 89 HB1 PHE 89 -5.180 -2.894 -0.762 699 HD1 PHE 89 HD1 PHE 89 -6.682 -3.255 -3.168 700 HD2 PHE 89 HD2 PHE 89 -2.539 -2.404 -2.705 701 HE1 PHE 89 HE1 PHE 89 -6.230 -4.287 -5.354 702 HE2 PHE 89 HE2 PHE 89 -2.079 -3.436 -4.890 703 HZ PHE 89 HZ PHE 89 -3.927 -4.374 -6.216 704 H SER 90 HN SER 90 -8.463 -1.666 -2.133 705 HA SER 90 HA SER 90 -9.258 -2.027 0.683 706 HB2 SER 90 HB2 SER 90 -10.219 -0.066 -0.666 707 HB3 SER 90 HB1 SER 90 -11.146 -1.290 -1.535 708 HG SER 90 HG SER 90 -12.347 -1.628 0.189 709 H PHE 91 HN PHE 91 -10.394 -3.762 1.297 710 HA PHE 91 HA PHE 91 -11.501 -5.579 -0.672 711 HB2 PHE 91 HB2 PHE 91 -10.144 -7.280 1.142 712 HB3 PHE 91 HB1 PHE 91 -9.884 -7.100 -0.590 713 HD1 PHE 91 HD1 PHE 91 -8.371 -5.105 -1.287 714 HD2 PHE 91 HD2 PHE 91 -8.378 -6.851 2.591 715 HE1 PHE 91 HE1 PHE 91 -6.113 -4.244 -0.904 716 HE2 PHE 91 HE2 PHE 91 -6.108 -5.982 2.978 717 HZ PHE 91 HZ PHE 91 -4.973 -4.677 1.232 718 H ASN 92 HN ASN 92 -12.621 -7.470 0.515 719 HA ASN 92 HA ASN 92 -14.031 -6.295 2.805 720 HB2 ASN 92 HB2 ASN 92 -14.854 -8.401 0.806 721 HB3 ASN 92 HB1 ASN 92 -15.799 -8.010 2.240 722 HD21 ASN 92 HD21 ASN 92 -14.483 -6.703 -0.743 723 HD22 ASN 92 HD22 ASN 92 -15.651 -5.444 -0.925 724 H ASN 93 HN ASN 93 -11.462 -7.711 3.069 725 HA ASN 93 HA ASN 93 -12.395 -9.813 4.895 726 HB2 ASN 93 HB2 ASN 93 -10.272 -9.976 2.799 727 HB3 ASN 93 HB1 ASN 93 -10.078 -10.902 4.284 728 HD21 ASN 93 HD21 ASN 93 -10.765 -11.456 1.326 729 HD22 ASN 93 HD22 ASN 93 -12.074 -12.578 1.437 730 H ARG 94 HN ARG 94 -12.137 -8.774 6.790 731 HA ARG 94 HA ARG 94 -10.046 -6.994 7.412 732 HB2 ARG 94 HB2 ARG 94 -11.685 -8.650 9.338 733 HB3 ARG 94 HB1 ARG 94 -10.799 -7.179 9.714 734 HG2 ARG 94 HG2 ARG 94 -12.289 -5.852 8.428 735 HG3 ARG 94 HG1 ARG 94 -13.060 -7.280 7.736 736 HD2 ARG 94 HD2 ARG 94 -13.056 -6.777 10.694 737 HD3 ARG 94 HD1 ARG 94 -14.267 -6.047 9.640 738 HE ARG 94 HE ARG 94 -14.321 -8.705 9.015 739 HH11 ARG 94 HH11 ARG 94 -14.711 -6.857 11.949 740 HH12 ARG 94 HH12 ARG 94 -15.789 -8.001 12.675 741 HH21 ARG 94 HH21 ARG 94 -15.739 -10.211 9.968 742 HH22 ARG 94 HH22 ARG 94 -16.372 -9.906 11.551 743 H THR 95 HN THR 95 -10.269 -10.465 7.501 744 HA THR 95 HA THR 95 -8.006 -10.858 9.190 745 HB THR 95 HB THR 95 -8.848 -13.048 7.488 746 HG1 THR 95 HG1 THR 95 -10.917 -13.209 8.301 747 HG21 THR 95 HG21 THR 95 -9.121 -14.227 9.552 748 HG22 THR 95 HG22 THR 95 -9.007 -12.716 10.454 749 HG23 THR 95 HG23 THR 95 -7.601 -13.333 9.587 750 H VAL 96 HN VAL 96 -8.685 -10.933 5.724 751 HA VAL 96 HA VAL 96 -6.142 -11.924 4.949 752 HB VAL 96 HB VAL 96 -8.441 -11.702 3.615 753 HG11 VAL 96 HG11 VAL 96 -8.408 -9.979 1.945 754 HG12 VAL 96 HG12 VAL 96 -6.866 -9.368 2.543 755 HG13 VAL 96 HG13 VAL 96 -8.315 -9.226 3.536 756 HG21 VAL 96 HG21 VAL 96 -6.081 -12.760 3.073 757 HG22 VAL 96 HG22 VAL 96 -6.016 -11.424 1.923 758 HG23 VAL 96 HG23 VAL 96 -7.330 -12.598 1.837 759 H MET 97 HN MET 97 -7.489 -8.670 5.250 760 HA MET 97 HA MET 97 -5.362 -7.264 4.102 761 HB2 MET 97 HB2 MET 97 -6.200 -5.369 5.636 762 HB3 MET 97 HB1 MET 97 -7.292 -6.003 4.421 763 HG2 MET 97 HG2 MET 97 -8.781 -6.560 5.942 764 HG3 MET 97 HG1 MET 97 -7.591 -7.478 6.854 765 HE1 MET 97 HE1 MET 97 -5.960 -4.304 8.761 766 HE2 MET 97 HE2 MET 97 -6.020 -3.945 7.035 767 HE3 MET 97 HE3 MET 97 -5.509 -5.537 7.586 768 H ASP 98 HN ASP 98 -5.961 -7.927 7.548 769 HA ASP 98 HA ASP 98 -3.506 -6.786 8.404 770 HB2 ASP 98 HB2 ASP 98 -5.485 -6.965 9.863 771 HB3 ASP 98 HB1 ASP 98 -5.324 -8.719 9.855 772 H ASN 99 HN ASN 99 -4.345 -9.901 7.178 773 HA ASN 99 HA ASN 99 -2.161 -11.305 8.394 774 HB2 ASN 99 HB2 ASN 99 -4.285 -11.946 6.416 775 HB3 ASN 99 HB1 ASN 99 -2.835 -12.945 6.395 776 HD21 ASN 99 HD21 ASN 99 -4.489 -11.404 9.110 777 HD22 ASN 99 HD22 ASN 99 -4.835 -12.869 9.958 778 H ILE 100 HN ILE 100 -2.692 -9.713 5.292 779 HA ILE 100 HA ILE 100 -0.147 -10.658 4.278 780 HB ILE 100 HB ILE 100 -2.093 -10.434 2.772 781 HG12 ILE 100 HG12 ILE 100 0.355 -8.770 2.172 782 HG13 ILE 100 HG11 ILE 100 0.083 -10.463 1.767 783 HG21 ILE 100 HG21 ILE 100 -1.883 -7.592 2.335 784 HG22 ILE 100 HG22 ILE 100 -2.396 -7.952 3.983 785 HG23 ILE 100 HG23 ILE 100 -3.311 -8.587 2.616 786 HD11 ILE 100 HD11 ILE 100 -1.551 -9.878 0.134 787 HD12 ILE 100 HD12 ILE 100 -0.116 -8.891 -0.145 788 HD13 ILE 100 HD13 ILE 100 -1.531 -8.187 0.643 789 H LYS 101 HN LYS 101 -1.462 -7.725 5.691 790 HA LYS 101 HA LYS 101 0.765 -6.079 4.949 791 HB2 LYS 101 HB2 LYS 101 -1.515 -5.189 5.487 792 HB3 LYS 101 HB1 LYS 101 -1.225 -5.601 7.172 793 HG2 LYS 101 HG2 LYS 101 0.808 -3.923 5.828 794 HG3 LYS 101 HG1 LYS 101 -0.751 -3.179 6.174 795 HD2 LYS 101 HD2 LYS 101 0.859 -4.656 8.247 796 HD3 LYS 101 HD1 LYS 101 1.029 -2.925 7.957 797 HE2 LYS 101 HE2 LYS 101 -1.091 -2.448 8.764 798 HE3 LYS 101 HE1 LYS 101 -1.675 -4.088 8.470 799 HZ1 LYS 101 HZ1 LYS 101 0.112 -4.664 10.266 800 HZ2 LYS 101 HZ2 LYS 101 -1.422 -4.117 10.722 801 HZ3 LYS 101 HZ3 LYS 101 -0.111 -3.049 10.720 802 H MET 102 HN MET 102 -0.193 -7.870 7.829 803 HA MET 102 HA MET 102 1.689 -7.020 9.646 804 HB2 MET 102 HB2 MET 102 0.149 -9.500 9.237 805 HB3 MET 102 HB1 MET 102 1.599 -9.683 10.215 806 HG2 MET 102 HG2 MET 102 0.524 -7.469 11.326 807 HG3 MET 102 HG1 MET 102 -0.931 -8.321 10.813 808 HE1 MET 102 HE1 MET 102 -1.075 -11.476 12.804 809 HE2 MET 102 HE2 MET 102 -1.387 -10.706 11.248 810 HE3 MET 102 HE3 MET 102 -2.077 -10.026 12.721 811 H THR 103 HN THR 103 2.110 -9.121 6.897 812 HA THR 103 HA THR 103 4.831 -9.817 7.649 813 HB THR 103 HB THR 103 3.190 -10.506 5.206 814 HG1 THR 103 HG1 THR 103 2.393 -11.943 6.481 815 HG21 THR 103 HG21 THR 103 4.896 -11.606 4.302 816 HG22 THR 103 HG22 THR 103 5.404 -12.269 5.856 817 HG23 THR 103 HG23 THR 103 5.926 -10.656 5.372 818 H LEU 104 HN LEU 104 3.273 -8.254 4.839 819 HA LEU 104 HA LEU 104 5.664 -7.373 3.665 820 HB2 LEU 104 HB2 LEU 104 4.356 -6.495 2.051 821 HB3 LEU 104 HB1 LEU 104 3.138 -7.485 2.827 822 HG LEU 104 HG LEU 104 2.824 -5.183 4.216 823 HD11 LEU 104 HD11 LEU 104 2.858 -3.345 2.546 824 HD12 LEU 104 HD12 LEU 104 3.731 -4.413 1.449 825 HD13 LEU 104 HD13 LEU 104 4.461 -3.937 2.982 826 HD21 LEU 104 HD21 LEU 104 1.481 -5.400 1.563 827 HD22 LEU 104 HD22 LEU 104 0.800 -5.016 3.144 828 HD23 LEU 104 HD23 LEU 104 1.243 -6.678 2.755 829 H GLN 105 HN GLN 105 3.860 -6.112 6.319 830 HA GLN 105 HA GLN 105 4.813 -3.427 6.174 831 HB2 GLN 105 HB2 GLN 105 2.757 -4.141 7.410 832 HB3 GLN 105 HB1 GLN 105 3.795 -4.910 8.602 833 HG2 GLN 105 HG2 GLN 105 4.851 -2.440 8.592 834 HG3 GLN 105 HG1 GLN 105 3.180 -2.065 8.174 835 HE21 GLN 105 HE21 GLN 105 2.062 -1.500 9.885 836 HE22 GLN 105 HE22 GLN 105 2.191 -2.186 11.466 837 H GLN 106 HN GLN 106 5.671 -6.155 8.311 838 HA GLN 106 HA GLN 106 7.706 -4.996 9.736 839 HB2 GLN 106 HB2 GLN 106 8.626 -7.241 10.049 840 HB3 GLN 106 HB1 GLN 106 6.873 -7.254 10.182 841 HG2 GLN 106 HG2 GLN 106 6.606 -8.546 8.361 842 HG3 GLN 106 HG1 GLN 106 7.959 -7.811 7.504 843 HE21 GLN 106 HE21 GLN 106 8.072 -10.251 7.038 844 HE22 GLN 106 HE22 GLN 106 9.125 -11.155 8.067 845 H ILE 107 HN ILE 107 7.740 -6.041 6.407 846 HA ILE 107 HA ILE 107 10.526 -6.099 6.043 847 HB ILE 107 HB ILE 107 8.142 -6.244 4.366 848 HG12 ILE 107 HG12 ILE 107 10.857 -7.367 3.791 849 HG13 ILE 107 HG11 ILE 107 9.885 -7.991 5.122 850 HG21 ILE 107 HG21 ILE 107 8.893 -4.369 3.181 851 HG22 ILE 107 HG22 ILE 107 9.482 -5.751 2.260 852 HG23 ILE 107 HG23 ILE 107 10.583 -4.855 3.306 853 HD11 ILE 107 HD11 ILE 107 9.759 -9.166 2.838 854 HD12 ILE 107 HD12 ILE 107 8.741 -7.805 2.367 855 HD13 ILE 107 HD13 ILE 107 8.260 -8.843 3.709 856 H ILE 108 HN ILE 108 8.196 -3.583 4.974 857 HA ILE 108 HA ILE 108 10.093 -1.712 4.217 858 HB ILE 108 HB ILE 108 7.560 -0.838 5.563 859 HG12 ILE 108 HG12 ILE 108 7.816 -1.969 2.766 860 HG13 ILE 108 HG11 ILE 108 6.972 -2.730 4.111 861 HG21 ILE 108 HG21 ILE 108 8.013 1.122 4.612 862 HG22 ILE 108 HG22 ILE 108 8.269 0.374 3.035 863 HG23 ILE 108 HG23 ILE 108 9.597 0.464 4.195 864 HD11 ILE 108 HD11 ILE 108 5.961 -0.100 3.765 865 HD12 ILE 108 HD12 ILE 108 5.135 -1.649 3.597 866 HD13 ILE 108 HD13 ILE 108 5.957 -0.934 2.212 867 H SER 109 HN SER 109 9.037 -2.654 7.353 868 HA SER 109 HA SER 109 10.070 -0.400 8.769 869 HB2 SER 109 HB2 SER 109 8.323 -2.335 9.421 870 HB3 SER 109 HB1 SER 109 9.780 -3.016 10.146 871 HG SER 109 HG SER 109 8.759 -1.694 11.647 872 H ARG 110 HN ARG 110 11.356 -3.376 7.551 873 HA ARG 110 HA ARG 110 13.835 -3.021 9.064 874 HB2 ARG 110 HB2 ARG 110 14.286 -5.259 8.746 875 HB3 ARG 110 HB1 ARG 110 12.530 -5.278 8.774 876 HG2 ARG 110 HG2 ARG 110 12.456 -5.391 6.360 877 HG3 ARG 110 HG1 ARG 110 14.214 -5.263 6.276 878 HD2 ARG 110 HD2 ARG 110 13.954 -7.366 7.947 879 HD3 ARG 110 HD1 ARG 110 12.505 -7.564 6.962 880 HE ARG 110 HE ARG 110 14.684 -7.113 5.262 881 HH11 ARG 110 HH11 ARG 110 13.484 -9.550 7.453 882 HH12 ARG 110 HH12 ARG 110 14.231 -10.861 6.603 883 HH21 ARG 110 HH21 ARG 110 15.667 -8.836 4.142 884 HH22 ARG 110 HH22 ARG 110 15.470 -10.456 4.724 885 H TYR 111 HN TYR 111 12.610 -3.279 5.737 886 HA TYR 111 HA TYR 111 15.044 -3.083 4.392 887 HB2 TYR 111 HB2 TYR 111 12.205 -2.638 3.737 888 HB3 TYR 111 HB1 TYR 111 13.339 -1.760 2.719 889 HD1 TYR 111 HD2 TYR 111 14.392 -4.954 4.120 890 HD2 TYR 111 HD1 TYR 111 12.548 -3.063 0.783 891 HE1 TYR 111 HE2 TYR 111 14.752 -6.982 2.778 892 HE2 TYR 111 HE1 TYR 111 12.902 -5.087 -0.566 893 HH TYR 111 HH TYR 111 13.891 -8.068 0.813 894 H LYS 112 HN LYS 112 13.125 -0.639 5.967 895 HA LYS 112 HA LYS 112 14.268 1.638 4.760 896 HB2 LYS 112 HB2 LYS 112 12.825 1.133 7.344 897 HB3 LYS 112 HB1 LYS 112 13.491 2.721 6.983 898 HG2 LYS 112 HG2 LYS 112 11.856 1.533 4.852 899 HG3 LYS 112 HG1 LYS 112 10.995 1.928 6.342 900 HD2 LYS 112 HD2 LYS 112 10.945 3.806 4.800 901 HD3 LYS 112 HD1 LYS 112 11.882 4.205 6.240 902 HE2 LYS 112 HE2 LYS 112 13.943 3.587 4.946 903 HE3 LYS 112 HE1 LYS 112 12.925 3.479 3.510 904 HZ1 LYS 112 HZ1 LYS 112 12.619 5.936 4.989 905 HZ2 LYS 112 HZ2 LYS 112 12.826 5.691 3.329 906 HZ3 LYS 112 HZ3 LYS 112 14.171 5.712 4.353 907 H ASP 113 HN ASP 113 14.897 0.217 7.966 908 HA ASP 113 HA ASP 113 17.197 1.813 8.421 909 HB2 ASP 113 HB2 ASP 113 15.798 0.923 10.250 910 HB3 ASP 113 HB1 ASP 113 16.332 -0.704 9.840 911 H ALA 114 HN ALA 114 16.841 -0.654 6.314 912 HA ALA 114 HA ALA 114 19.617 -1.558 6.670 913 HB1 ALA 114 HB1 ALA 114 17.424 -3.103 6.682 914 HB2 ALA 114 HB2 ALA 114 19.012 -3.661 6.152 915 HB3 ALA 114 HB3 ALA 114 17.817 -3.138 4.963 916 H ASP 115 HN ASP 115 17.257 -0.256 4.451 917 HA ASP 115 HA ASP 115 18.606 -0.600 2.032 918 HB2 ASP 115 HB2 ASP 115 16.473 1.188 3.044 919 HB3 ASP 115 HB1 ASP 115 17.329 1.748 1.610 920 H2 PRO 59 HT1 PRO 59 -23.782 -6.020 -4.577 921 H3 PRO 59 HT2 PRO 59 -24.538 -7.169 -5.480 922 HA PRO 59 HA PRO 59 -25.345 -5.828 -6.849 923 HB2 PRO 59 HB2 PRO 59 -25.888 -3.394 -5.509 924 HB3 PRO 59 HB1 PRO 59 -27.053 -4.615 -6.036 925 HG2 PRO 59 HG2 PRO 59 -25.794 -4.226 -3.373 926 HG3 PRO 59 HG1 PRO 59 -27.405 -4.843 -3.778 927 HD2 PRO 59 HD2 PRO 59 -25.488 -6.499 -2.948 928 HD3 PRO 59 HD1 PRO 59 -26.604 -6.986 -4.238 929 H GLY 60 HN GLY 60 -23.565 -3.977 -4.365 930 HA2 GLY 60 HA2 GLY 60 -21.367 -3.511 -6.148 931 HA3 GLY 60 HA1 GLY 60 -22.360 -2.079 -5.927 932 H GLU 61 HN GLU 61 -19.827 -3.937 -4.688 933 HA GLU 61 HA GLU 61 -20.029 -2.830 -1.998 934 HB2 GLU 61 HB2 GLU 61 -19.161 -5.241 -2.839 935 HB3 GLU 61 HB1 GLU 61 -17.631 -4.375 -2.800 936 HG2 GLU 61 HG2 GLU 61 -17.562 -4.346 -0.567 937 HG3 GLU 61 HG1 GLU 61 -19.282 -3.991 -0.418 938 H GLU 62 HN GLU 62 -18.733 -1.260 -1.185 939 HA GLU 62 HA GLU 62 -16.276 -0.428 -2.242 940 HB2 GLU 62 HB2 GLU 62 -17.617 0.337 -4.147 941 HB3 GLU 62 HB1 GLU 62 -18.625 1.289 -3.066 942 HG2 GLU 62 HG2 GLU 62 -17.238 2.922 -3.789 943 HG3 GLU 62 HG1 GLU 62 -16.289 2.349 -2.419 944 H GLU 63 HN GLU 63 -19.157 1.289 -1.022 945 HA GLU 63 HA GLU 63 -19.499 2.565 0.828 946 HB2 GLU 63 HB2 GLU 63 -17.578 0.492 1.773 947 HB3 GLU 63 HB1 GLU 63 -17.889 1.867 2.823 948 HG2 GLU 63 HG2 GLU 63 -19.978 1.198 3.315 949 HG3 GLU 63 HG1 GLU 63 -20.270 0.552 1.701 950 H ASP 64 HN ASP 64 -17.514 3.390 -1.187 951 HA ASP 64 HA ASP 64 -15.338 4.652 0.150 952 HB2 ASP 64 HB2 ASP 64 -15.278 4.059 -2.251 953 HB3 ASP 64 HB1 ASP 64 -16.523 5.263 -2.567 954 H ASP 65 HN ASP 65 -17.018 5.478 1.828 955 HA ASP 65 HA ASP 65 -17.268 8.297 1.393 956 HB2 ASP 65 HB2 ASP 65 -19.412 6.983 0.504 957 HB3 ASP 65 HB1 ASP 65 -19.846 7.053 2.209 958 H GLU 66 HN GLU 66 -15.668 7.847 3.142 959 HA GLU 66 HA GLU 66 -15.027 7.685 5.329 960 HB2 GLU 66 HB2 GLU 66 -16.198 9.191 6.814 961 HB3 GLU 66 HB1 GLU 66 -16.089 9.913 5.215 962 HG2 GLU 66 HG2 GLU 66 -18.350 9.636 4.794 963 HG3 GLU 66 HG1 GLU 66 -18.527 8.388 6.026 964 H ARG 67 HN ARG 67 -16.296 5.337 4.533 965 HA ARG 67 HA ARG 67 -17.614 4.551 7.009 966 HB2 ARG 67 HB2 ARG 67 -18.354 3.870 4.191 967 HB3 ARG 67 HB1 ARG 67 -18.784 2.790 5.510 968 HG2 ARG 67 HG2 ARG 67 -19.622 5.665 5.203 969 HG3 ARG 67 HG1 ARG 67 -20.638 4.238 4.989 970 HD2 ARG 67 HD2 ARG 67 -19.948 3.687 7.424 971 HD3 ARG 67 HD1 ARG 67 -19.499 5.390 7.507 972 HE ARG 67 HE ARG 67 -22.156 4.946 6.507 973 HH11 ARG 67 HH11 ARG 67 -20.211 5.337 9.378 974 HH12 ARG 67 HH12 ARG 67 -21.536 5.880 10.352 975 HH21 ARG 67 HH21 ARG 67 -23.899 5.659 7.786 976 HH22 ARG 67 HH22 ARG 67 -23.630 6.062 9.449 977 H GLY 68 HN GLY 68 -16.216 3.047 4.149 978 HA2 GLY 68 HA2 GLY 68 -14.743 1.241 5.923 979 HA3 GLY 68 HA1 GLY 68 -15.315 0.773 4.331 980 H ALA 69 HN ALA 69 -13.936 3.898 4.977 981 HA ALA 69 HA ALA 69 -11.303 3.175 4.033 982 HB1 ALA 69 HB1 ALA 69 -11.322 4.162 1.981 983 HB2 ALA 69 HB2 ALA 69 -12.574 5.321 2.429 984 HB3 ALA 69 HB3 ALA 69 -13.009 3.653 2.053 985 H ASP 70 HN ASP 70 -11.917 4.099 6.485 986 HA ASP 70 HA ASP 70 -10.600 6.682 6.508 987 HB2 ASP 70 HB2 ASP 70 -13.213 6.898 6.402 988 HB3 ASP 70 HB1 ASP 70 -13.119 6.484 8.111 989 H ALA 71 HN ALA 71 -9.536 4.307 7.337 990 HA ALA 71 HA ALA 71 -8.945 4.878 10.084 991 HB1 ALA 71 HB1 ALA 71 -9.772 2.960 11.150 992 HB2 ALA 71 HB2 ALA 71 -10.082 2.140 9.614 993 HB3 ALA 71 HB3 ALA 71 -11.101 3.489 10.111 994 H THR 72 HN THR 72 -7.240 4.978 8.025 995 HA THR 72 HA THR 72 -5.498 2.692 8.545 996 HB THR 72 HB THR 72 -4.867 3.113 5.976 997 HG1 THR 72 HG1 THR 72 -6.727 4.583 5.863 998 HG21 THR 72 HG21 THR 72 -6.545 1.165 7.353 999 HG22 THR 72 HG22 THR 72 -5.202 0.935 6.233 1000 HG23 THR 72 HG23 THR 72 -6.813 1.282 5.615 1001 H TRP 73 HN TRP 73 -5.852 6.067 7.909 1002 HA TRP 73 HA TRP 73 -2.975 6.428 7.624 1003 HB2 TRP 73 HB2 TRP 73 -4.753 8.796 7.829 1004 HB3 TRP 73 HB1 TRP 73 -3.364 8.518 6.790 1005 HD1 TRP 73 HD1 TRP 73 -6.390 9.585 5.989 1006 HE1 TRP 73 HE1 TRP 73 -7.544 8.439 3.998 1007 HE3 TRP 73 HE3 TRP 73 -3.705 5.271 5.888 1008 HZ2 TRP 73 HZ2 TRP 73 -7.327 6.018 2.579 1009 HZ3 TRP 73 HZ3 TRP 73 -4.226 3.580 4.192 1010 HH2 TRP 73 HH2 TRP 73 -6.012 3.928 2.583 1011 H ASP 74 HN ASP 74 -4.079 5.488 10.198 1012 HA ASP 74 HA ASP 74 -2.765 7.490 11.840 1013 HB2 ASP 74 HB2 ASP 74 -5.328 7.940 11.673 1014 HB3 ASP 74 HB1 ASP 74 -5.462 6.576 12.780 1015 H LEU 75 HN LEU 75 -2.803 4.426 11.045 1016 HA LEU 75 HA LEU 75 -2.223 3.535 13.784 1017 HB2 LEU 75 HB2 LEU 75 -2.836 1.216 13.013 1018 HB3 LEU 75 HB1 LEU 75 -4.159 2.340 13.238 1019 HG LEU 75 HG LEU 75 -4.375 0.878 11.229 1020 HD11 LEU 75 HD11 LEU 75 -4.188 3.513 10.001 1021 HD12 LEU 75 HD12 LEU 75 -5.036 3.515 11.543 1022 HD13 LEU 75 HD13 LEU 75 -5.592 2.475 10.233 1023 HD21 LEU 75 HD21 LEU 75 -1.781 1.262 10.798 1024 HD22 LEU 75 HD22 LEU 75 -2.419 2.539 9.763 1025 HD23 LEU 75 HD23 LEU 75 -2.909 0.868 9.507 1026 H ASP 76 HN ASP 76 -1.164 3.818 10.548 1027 HA ASP 76 HA ASP 76 1.116 2.080 11.091 1028 HB2 ASP 76 HB2 ASP 76 -0.501 2.278 8.853 1029 HB3 ASP 76 HB1 ASP 76 0.962 3.138 8.382 1030 H LEU 77 HN LEU 77 2.741 3.379 9.001 1031 HA LEU 77 HA LEU 77 4.300 5.003 8.782 1032 HB2 LEU 77 HB2 LEU 77 1.981 6.461 9.915 1033 HB3 LEU 77 HB1 LEU 77 3.537 7.263 10.024 1034 HG LEU 77 HG LEU 77 3.405 6.341 7.393 1035 HD11 LEU 77 HD11 LEU 77 1.152 7.801 6.975 1036 HD12 LEU 77 HD12 LEU 77 0.732 6.919 8.443 1037 HD13 LEU 77 HD13 LEU 77 1.224 6.039 6.995 1038 HD21 LEU 77 HD21 LEU 77 3.305 8.924 8.822 1039 HD22 LEU 77 HD22 LEU 77 2.809 8.936 7.129 1040 HD23 LEU 77 HD23 LEU 77 4.415 8.358 7.573 1041 H LEU 78 HN LEU 78 5.663 3.711 10.112 1042 HA LEU 78 HA LEU 78 6.927 5.106 12.174 1043 HB2 LEU 78 HB2 LEU 78 6.373 3.478 14.048 1044 HB3 LEU 78 HB1 LEU 78 5.155 4.674 13.646 1045 HG LEU 78 HG LEU 78 4.155 2.783 12.155 1046 HD11 LEU 78 HD11 LEU 78 5.949 1.264 14.030 1047 HD12 LEU 78 HD12 LEU 78 5.870 1.160 12.272 1048 HD13 LEU 78 HD13 LEU 78 4.539 0.546 13.252 1049 HD21 LEU 78 HD21 LEU 78 2.594 2.514 13.763 1050 HD22 LEU 78 HD22 LEU 78 3.503 3.803 14.551 1051 HD23 LEU 78 HD23 LEU 78 3.782 2.122 15.006 1052 H LEU 79 HN LEU 79 7.773 3.833 9.903 1053 HA LEU 79 HA LEU 79 8.717 1.196 10.343 1054 HB2 LEU 79 HB2 LEU 79 9.838 3.237 8.429 1055 HB3 LEU 79 HB1 LEU 79 9.980 1.493 8.319 1056 HG LEU 79 HG LEU 79 7.297 2.839 8.222 1057 HD11 LEU 79 HD11 LEU 79 7.432 2.868 5.806 1058 HD12 LEU 79 HD12 LEU 79 9.083 2.250 5.867 1059 HD13 LEU 79 HD13 LEU 79 8.719 3.858 6.494 1060 HD21 LEU 79 HD21 LEU 79 8.411 0.144 7.629 1061 HD22 LEU 79 HD22 LEU 79 7.028 0.714 6.694 1062 HD23 LEU 79 HD23 LEU 79 6.916 0.595 8.450 1063 H THR 80 HN THR 80 10.644 0.438 11.065 1064 HA THR 80 HA THR 80 12.543 0.381 12.318 1065 HB THR 80 HB THR 80 14.355 1.710 11.555 1066 HG1 THR 80 HG1 THR 80 14.153 3.708 10.865 1067 HG21 THR 80 HG21 THR 80 12.382 1.128 9.393 1068 HG22 THR 80 HG22 THR 80 13.917 0.338 9.755 1069 HG23 THR 80 HG23 THR 80 13.901 1.942 9.023 1070 H ASN 81 HN ASN 81 10.750 1.056 13.991 1071 HA ASN 81 HA ASN 81 11.942 3.195 15.586 1072 HB2 ASN 81 HB2 ASN 81 9.176 3.172 14.497 1073 HB3 ASN 81 HB1 ASN 81 9.375 3.712 16.161 1074 HD21 ASN 81 HD21 ASN 81 9.448 4.614 12.953 1075 HD22 ASN 81 HD22 ASN 81 10.231 6.145 13.125 1076 H PHE 82 HN PHE 82 9.254 0.847 15.580 1077 HA PHE 82 HA PHE 82 10.295 -0.279 18.068 1078 HB2 PHE 82 HB2 PHE 82 8.298 1.534 18.245 1079 HB3 PHE 82 HB1 PHE 82 7.354 0.068 18.000 1080 HD1 PHE 82 HD1 PHE 82 8.322 -1.988 19.489 1081 HD2 PHE 82 HD2 PHE 82 8.618 2.154 20.419 1082 HE1 PHE 82 HE1 PHE 82 8.567 -2.545 21.873 1083 HE2 PHE 82 HE2 PHE 82 8.863 1.604 22.805 1084 HZ PHE 82 HZ PHE 82 8.838 -0.748 23.534 1085 H SER 83 HN SER 83 7.772 -0.504 15.574 1086 HA SER 83 HA SER 83 6.892 -2.275 14.451 1087 HB2 SER 83 HB2 SER 83 9.495 -2.645 14.224 1088 HB3 SER 83 HB1 SER 83 9.175 -4.029 15.268 1089 HG SER 83 HG SER 83 8.890 -4.812 13.262 1090 H GLY 84 HN GLY 84 6.191 -1.893 17.210 1091 HA2 GLY 84 HA2 GLY 84 4.420 -3.596 17.950 1092 HA3 GLY 84 HA1 GLY 84 5.802 -4.665 18.131 1093 HA PRO 85 HA PRO 85 6.094 -1.215 21.545 1094 HB2 PRO 85 HB2 PRO 85 3.728 -0.066 22.213 1095 HB3 PRO 85 HB1 PRO 85 4.812 0.612 20.992 1096 HG2 PRO 85 HG2 PRO 85 2.357 -1.063 20.627 1097 HG3 PRO 85 HG1 PRO 85 2.870 0.380 19.732 1098 HD2 PRO 85 HD2 PRO 85 3.215 -2.128 18.772 1099 HD3 PRO 85 HD1 PRO 85 4.345 -0.806 18.416 Start of MODEL 9 1 H2 PRO 1 HT1 PRO 1 0.909 -14.277 8.520 2 H3 PRO 1 HT2 PRO 1 2.209 -14.526 9.495 3 HA PRO 1 HA PRO 1 2.728 -15.810 7.924 4 HB2 PRO 1 HB2 PRO 1 1.505 -18.148 8.733 5 HB3 PRO 1 HB1 PRO 1 2.920 -17.425 9.509 6 HG2 PRO 1 HG2 PRO 1 0.291 -17.673 10.586 7 HG3 PRO 1 HG1 PRO 1 1.686 -16.864 11.316 8 HD2 PRO 1 HD2 PRO 1 -0.576 -15.702 9.751 9 HD3 PRO 1 HD1 PRO 1 0.366 -14.985 11.074 10 H SER 2 HN SER 2 0.395 -14.407 7.004 11 HA SER 2 HA SER 2 -1.107 -16.454 5.543 12 HB2 SER 2 HB2 SER 2 -1.651 -13.643 6.350 13 HB3 SER 2 HB1 SER 2 -2.358 -14.193 4.831 14 HG SER 2 HG SER 2 -2.604 -15.660 7.237 15 H HIS 3 HN HIS 3 -0.086 -13.161 4.670 16 HA HIS 3 HA HIS 3 1.108 -12.363 2.903 17 HB2 HIS 3 HB2 HIS 3 1.647 -15.173 1.975 18 HB3 HIS 3 HB1 HIS 3 2.599 -13.724 1.670 19 HD1 HIS 3 HD1 HIS 3 2.033 -16.405 4.186 20 HD2 HIS 3 HD2 HIS 3 4.292 -12.941 3.789 21 HE1 HIS 3 HE1 HIS 3 3.724 -16.490 6.045 22 HE2 HIS 3 HE2 HIS 3 5.139 -14.429 5.728 23 H SER 4 HN SER 4 -0.570 -15.299 1.876 24 HA SER 4 HA SER 4 -1.451 -14.003 -0.546 25 HB2 SER 4 HB2 SER 4 -2.520 -16.111 -1.111 26 HB3 SER 4 HB1 SER 4 -0.870 -16.411 -0.555 27 HG SER 4 HG SER 4 -1.870 -16.815 1.560 28 H GLY 5 HN GLY 5 -3.334 -13.093 -0.920 29 HA2 GLY 5 HA2 GLY 5 -5.681 -13.625 0.664 30 HA3 GLY 5 HA1 GLY 5 -4.976 -12.039 0.959 31 H ALA 6 HN ALA 6 -7.374 -11.753 0.058 32 HA ALA 6 HA ALA 6 -7.175 -11.537 -2.866 33 HB1 ALA 6 HB1 ALA 6 -9.586 -11.689 -1.076 34 HB2 ALA 6 HB2 ALA 6 -9.046 -12.865 -2.275 35 HB3 ALA 6 HB3 ALA 6 -9.666 -11.297 -2.794 36 H ALA 7 HN ALA 7 -7.455 -9.657 -3.896 37 HA ALA 7 HA ALA 7 -8.237 -7.269 -2.440 38 HB1 ALA 7 HB1 ALA 7 -5.726 -7.571 -2.213 39 HB2 ALA 7 HB2 ALA 7 -6.277 -6.027 -2.863 40 HB3 ALA 7 HB3 ALA 7 -5.638 -7.262 -3.947 41 H ILE 8 HN ILE 8 -8.573 -5.401 -3.915 42 HA ILE 8 HA ILE 8 -8.988 -6.283 -6.688 43 HB ILE 8 HB ILE 8 -10.976 -4.718 -5.046 44 HG12 ILE 8 HG12 ILE 8 -11.687 -7.259 -6.385 45 HG13 ILE 8 HG11 ILE 8 -10.610 -7.393 -4.997 46 HG21 ILE 8 HG21 ILE 8 -11.371 -3.837 -7.108 47 HG22 ILE 8 HG22 ILE 8 -12.296 -5.329 -7.288 48 HG23 ILE 8 HG23 ILE 8 -10.662 -5.219 -7.944 49 HD11 ILE 8 HD11 ILE 8 -12.624 -7.580 -3.962 50 HD12 ILE 8 HD12 ILE 8 -13.445 -6.539 -5.125 51 HD13 ILE 8 HD13 ILE 8 -12.410 -5.831 -3.884 52 H PHE 9 HN PHE 9 -8.757 -4.795 -8.270 53 HA PHE 9 HA PHE 9 -8.138 -2.033 -7.558 54 HB2 PHE 9 HB2 PHE 9 -5.996 -3.411 -7.691 55 HB3 PHE 9 HB1 PHE 9 -6.329 -3.580 -9.413 56 HD1 PHE 9 HD1 PHE 9 -6.849 -1.305 -10.636 57 HD2 PHE 9 HD2 PHE 9 -4.648 -1.676 -7.016 58 HE1 PHE 9 HE1 PHE 9 -5.779 0.871 -11.070 59 HE2 PHE 9 HE2 PHE 9 -3.576 0.500 -7.437 60 HZ PHE 9 HZ PHE 9 -4.141 1.776 -9.468 61 H GLU 10 HN GLU 10 -8.596 -0.562 -9.175 62 HA GLU 10 HA GLU 10 -9.972 0.262 -10.804 63 HB2 GLU 10 HB2 GLU 10 -9.255 -0.372 -13.058 64 HB3 GLU 10 HB1 GLU 10 -7.875 -0.105 -11.997 65 HG2 GLU 10 HG2 GLU 10 -7.665 -2.499 -11.665 66 HG3 GLU 10 HG1 GLU 10 -9.039 -2.769 -12.736 67 H LYS 11 HN LYS 11 -11.337 -1.638 -9.341 68 HA LYS 11 HA LYS 11 -13.276 -2.813 -9.380 69 HB2 LYS 11 HB2 LYS 11 -13.773 -2.632 -12.272 70 HB3 LYS 11 HB1 LYS 11 -14.810 -2.203 -10.920 71 HG2 LYS 11 HG2 LYS 11 -13.158 -0.178 -10.700 72 HG3 LYS 11 HG1 LYS 11 -12.823 -0.548 -12.393 73 HD2 LYS 11 HD2 LYS 11 -15.523 -0.619 -12.404 74 HD3 LYS 11 HD1 LYS 11 -15.245 0.575 -11.135 75 HE2 LYS 11 HE2 LYS 11 -13.712 1.762 -12.735 76 HE3 LYS 11 HE1 LYS 11 -14.279 0.658 -13.987 77 HZ1 LYS 11 HZ1 LYS 11 -15.710 2.831 -12.637 78 HZ2 LYS 11 HZ2 LYS 11 -16.600 1.491 -13.159 79 HZ3 LYS 11 HZ3 LYS 11 -15.705 2.396 -14.272 80 H VAL 12 HN VAL 12 -10.562 -3.984 -10.362 81 HA VAL 12 HA VAL 12 -11.742 -6.443 -11.498 82 HB VAL 12 HB VAL 12 -8.859 -5.616 -11.820 83 HG11 VAL 12 HG11 VAL 12 -9.121 -7.950 -12.105 84 HG12 VAL 12 HG12 VAL 12 -9.038 -7.267 -13.729 85 HG13 VAL 12 HG13 VAL 12 -10.595 -7.743 -13.051 86 HG21 VAL 12 HG21 VAL 12 -9.310 -4.693 -13.923 87 HG22 VAL 12 HG22 VAL 12 -10.576 -4.038 -12.885 88 HG23 VAL 12 HG23 VAL 12 -10.935 -5.377 -13.975 89 H SER 13 HN SER 13 -11.750 -8.097 -10.128 90 HA SER 13 HA SER 13 -10.179 -7.953 -7.716 91 HB2 SER 13 HB2 SER 13 -11.371 -10.030 -7.079 92 HB3 SER 13 HB1 SER 13 -12.467 -8.723 -7.528 93 HG SER 13 HG SER 13 -13.143 -10.598 -8.542 94 H GLY 14 HN GLY 14 -8.869 -9.628 -6.925 95 HA2 GLY 14 HA2 GLY 14 -7.859 -11.721 -8.571 96 HA3 GLY 14 HA1 GLY 14 -6.760 -10.347 -8.540 97 H ILE 15 HN ILE 15 -5.547 -12.382 -7.557 98 HA ILE 15 HA ILE 15 -6.015 -12.375 -4.650 99 HB ILE 15 HB ILE 15 -4.174 -14.338 -5.966 100 HG12 ILE 15 HG12 ILE 15 -7.179 -14.654 -5.759 101 HG13 ILE 15 HG11 ILE 15 -6.277 -14.442 -7.256 102 HG21 ILE 15 HG21 ILE 15 -5.348 -15.713 -4.042 103 HG22 ILE 15 HG22 ILE 15 -5.687 -14.101 -3.413 104 HG23 ILE 15 HG23 ILE 15 -4.019 -14.606 -3.694 105 HD11 ILE 15 HD11 ILE 15 -6.808 -16.750 -7.013 106 HD12 ILE 15 HD12 ILE 15 -6.157 -16.782 -5.374 107 HD13 ILE 15 HD13 ILE 15 -5.075 -16.558 -6.748 108 H ILE 16 HN ILE 16 -4.554 -11.559 -3.335 109 HA ILE 16 HA ILE 16 -2.106 -10.456 -4.507 110 HB ILE 16 HB ILE 16 -3.601 -8.830 -3.497 111 HG12 ILE 16 HG12 ILE 16 -1.339 -9.087 -1.543 112 HG13 ILE 16 HG11 ILE 16 -1.022 -8.736 -3.240 113 HG21 ILE 16 HG21 ILE 16 -4.787 -10.200 -1.931 114 HG22 ILE 16 HG22 ILE 16 -4.035 -8.861 -1.062 115 HG23 ILE 16 HG23 ILE 16 -3.319 -10.470 -0.990 116 HD11 ILE 16 HD11 ILE 16 -2.212 -7.044 -1.141 117 HD12 ILE 16 HD12 ILE 16 -2.894 -6.895 -2.764 118 HD13 ILE 16 HD13 ILE 16 -1.171 -6.614 -2.499 119 H ALA 17 HN ALA 17 -0.183 -11.394 -3.966 120 HA ALA 17 HA ALA 17 0.006 -12.804 -1.391 121 HB1 ALA 17 HB1 ALA 17 1.002 -13.993 -3.965 122 HB2 ALA 17 HB2 ALA 17 -0.552 -14.398 -3.233 123 HB3 ALA 17 HB3 ALA 17 0.947 -14.754 -2.374 124 H ILE 18 HN ILE 18 1.942 -12.731 -0.383 125 HA ILE 18 HA ILE 18 3.992 -10.995 -1.541 126 HB ILE 18 HB ILE 18 3.680 -12.100 1.255 127 HG12 ILE 18 HG12 ILE 18 3.713 -9.260 1.151 128 HG13 ILE 18 HG11 ILE 18 2.579 -9.821 -0.077 129 HG21 ILE 18 HG21 ILE 18 5.528 -10.559 1.848 130 HG22 ILE 18 HG22 ILE 18 5.781 -10.255 0.129 131 HG23 ILE 18 HG23 ILE 18 6.029 -11.873 0.784 132 HD11 ILE 18 HD11 ILE 18 1.658 -9.371 2.235 133 HD12 ILE 18 HD12 ILE 18 2.507 -10.831 2.739 134 HD13 ILE 18 HD13 ILE 18 1.254 -10.922 1.502 135 H ASN 19 HN ASN 19 6.094 -11.619 -1.841 136 HA ASN 19 HA ASN 19 6.656 -14.513 -1.700 137 HB2 ASN 19 HB2 ASN 19 6.439 -13.187 -4.004 138 HB3 ASN 19 HB1 ASN 19 8.116 -12.793 -3.639 139 HD21 ASN 19 HD21 ASN 19 6.120 -15.698 -3.218 140 HD22 ASN 19 HD22 ASN 19 7.194 -16.762 -4.054 141 H GLU 20 HN GLU 20 7.989 -14.894 -0.098 142 HA GLU 20 HA GLU 20 10.145 -12.974 0.431 143 HB2 GLU 20 HB2 GLU 20 8.344 -13.897 2.217 144 HB3 GLU 20 HB1 GLU 20 9.586 -15.130 2.387 145 HG2 GLU 20 HG2 GLU 20 11.240 -13.366 2.843 146 HG3 GLU 20 HG1 GLU 20 9.953 -12.164 2.743 147 H ASP 21 HN ASP 21 10.064 -14.983 -1.646 148 HA ASP 21 HA ASP 21 12.117 -16.888 -0.786 149 HB2 ASP 21 HB2 ASP 21 9.925 -17.329 -2.298 150 HB3 ASP 21 HB1 ASP 21 11.088 -16.959 -3.567 151 H VAL 22 HN VAL 22 11.628 -14.029 -2.658 152 HA VAL 22 HA VAL 22 14.312 -14.274 -3.843 153 HB VAL 22 HB VAL 22 13.237 -11.907 -4.813 154 HG11 VAL 22 HG11 VAL 22 12.742 -13.502 -6.857 155 HG12 VAL 22 HG12 VAL 22 13.633 -14.656 -5.864 156 HG13 VAL 22 HG13 VAL 22 14.391 -13.138 -6.346 157 HG21 VAL 22 HG21 VAL 22 11.038 -12.436 -3.923 158 HG22 VAL 22 HG22 VAL 22 11.063 -13.997 -4.744 159 HG23 VAL 22 HG23 VAL 22 11.024 -12.507 -5.686 160 H SER 23 HN SER 23 15.618 -12.212 -3.903 161 HA SER 23 HA SER 23 16.287 -11.360 -1.379 162 HB2 SER 23 HB2 SER 23 16.835 -10.396 -4.106 163 HB3 SER 23 HB1 SER 23 17.013 -9.180 -2.842 164 HG SER 23 HG SER 23 18.589 -11.323 -3.428 165 HA PRO 24 HA PRO 24 13.542 -7.496 -1.580 166 HB2 PRO 24 HB2 PRO 24 12.285 -6.757 -3.818 167 HB3 PRO 24 HB1 PRO 24 14.002 -6.399 -3.578 168 HG2 PRO 24 HG2 PRO 24 12.728 -8.572 -5.193 169 HG3 PRO 24 HG1 PRO 24 14.129 -7.560 -5.588 170 HD2 PRO 24 HD2 PRO 24 14.297 -10.130 -4.608 171 HD3 PRO 24 HD1 PRO 24 15.571 -8.907 -4.439 172 H ALA 25 HN ALA 25 12.293 -9.023 -0.338 173 HA ALA 25 HA ALA 25 10.349 -10.745 -1.198 174 HB1 ALA 25 HB1 ALA 25 11.132 -9.946 1.239 175 HB2 ALA 25 HB2 ALA 25 9.668 -10.883 0.942 176 HB3 ALA 25 HB3 ALA 25 9.569 -9.134 1.140 177 H GLU 26 HN GLU 26 9.151 -10.164 -2.887 178 HA GLU 26 HA GLU 26 7.492 -7.752 -2.629 179 HB2 GLU 26 HB2 GLU 26 7.372 -7.969 -5.189 180 HB3 GLU 26 HB1 GLU 26 8.862 -7.369 -4.453 181 HG2 GLU 26 HG2 GLU 26 10.058 -9.131 -5.154 182 HG3 GLU 26 HG1 GLU 26 8.756 -10.278 -4.840 183 H LEU 27 HN LEU 27 5.414 -7.873 -3.989 184 HA LEU 27 HA LEU 27 4.217 -10.521 -3.737 185 HB2 LEU 27 HB2 LEU 27 2.175 -9.520 -2.884 186 HB3 LEU 27 HB1 LEU 27 3.529 -9.117 -1.845 187 HG LEU 27 HG LEU 27 3.592 -6.929 -3.322 188 HD11 LEU 27 HD11 LEU 27 0.976 -6.429 -3.569 189 HD12 LEU 27 HD12 LEU 27 0.972 -8.157 -3.924 190 HD13 LEU 27 HD13 LEU 27 1.964 -7.062 -4.887 191 HD21 LEU 27 HD21 LEU 27 2.852 -7.498 -0.798 192 HD22 LEU 27 HD22 LEU 27 1.328 -6.880 -1.435 193 HD23 LEU 27 HD23 LEU 27 2.780 -5.881 -1.497 194 H THR 28 HN THR 28 2.415 -10.928 -5.159 195 HA THR 28 HA THR 28 2.183 -8.989 -7.337 196 HB THR 28 HB THR 28 3.371 -11.582 -7.507 197 HG1 THR 28 HG1 THR 28 4.248 -10.698 -9.202 198 HG21 THR 28 HG21 THR 28 1.158 -11.187 -9.491 199 HG22 THR 28 HG22 THR 28 1.087 -12.335 -8.153 200 HG23 THR 28 HG23 THR 28 2.306 -12.523 -9.413 201 H TRP 29 HN TRP 29 0.264 -8.752 -8.253 202 HA TRP 29 HA TRP 29 -1.977 -10.133 -6.936 203 HB2 TRP 29 HB2 TRP 29 -1.811 -7.678 -6.654 204 HB3 TRP 29 HB1 TRP 29 -1.948 -7.492 -8.398 205 HD1 TRP 29 HD1 TRP 29 -4.005 -8.466 -5.325 206 HE1 TRP 29 HE1 TRP 29 -6.495 -8.243 -5.911 207 HE3 TRP 29 HE3 TRP 29 -3.579 -7.557 -10.351 208 HZ2 TRP 29 HZ2 TRP 29 -8.074 -7.742 -8.187 209 HZ3 TRP 29 HZ3 TRP 29 -5.646 -7.220 -11.646 210 HH2 TRP 29 HH2 TRP 29 -7.839 -7.316 -10.593 211 H ARG 30 HN ARG 30 -2.725 -11.770 -8.151 212 HA ARG 30 HA ARG 30 -2.892 -11.384 -11.064 213 HB2 ARG 30 HB2 ARG 30 -3.003 -13.969 -9.500 214 HB3 ARG 30 HB1 ARG 30 -2.983 -13.813 -11.251 215 HG2 ARG 30 HG2 ARG 30 -0.741 -12.795 -11.102 216 HG3 ARG 30 HG1 ARG 30 -0.765 -13.065 -9.358 217 HD2 ARG 30 HD2 ARG 30 0.454 -14.797 -10.741 218 HD3 ARG 30 HD1 ARG 30 -0.760 -15.410 -9.621 219 HE ARG 30 HE ARG 30 -0.877 -15.438 -12.522 220 HH11 ARG 30 HH11 ARG 30 -2.588 -15.907 -9.512 221 HH12 ARG 30 HH12 ARG 30 -3.833 -16.871 -10.229 222 HH21 ARG 30 HH21 ARG 30 -2.517 -16.704 -13.461 223 HH22 ARG 30 HH22 ARG 30 -3.794 -17.324 -12.468 224 H SER 31 HN SER 31 -4.839 -10.948 -11.871 225 HA SER 31 HA SER 31 -7.187 -10.727 -10.473 226 HB2 SER 31 HB2 SER 31 -8.342 -10.930 -12.700 227 HB3 SER 31 HB1 SER 31 -7.005 -9.781 -12.674 228 HG SER 31 HG SER 31 -5.698 -11.455 -13.591 229 H THR 32 HN THR 32 -9.027 -11.998 -10.165 230 HA THR 32 HA THR 32 -8.554 -14.738 -9.669 231 HB THR 32 HB THR 32 -11.239 -14.611 -9.565 232 HG1 THR 32 HG1 THR 32 -11.527 -12.567 -10.285 233 HG21 THR 32 HG21 THR 32 -9.119 -14.054 -7.658 234 HG22 THR 32 HG22 THR 32 -10.593 -15.007 -7.478 235 HG23 THR 32 HG23 THR 32 -10.642 -13.257 -7.262 236 H ASP 33 HN ASP 33 -10.015 -13.003 -12.301 237 HA ASP 33 HA ASP 33 -11.010 -15.358 -13.597 238 HB2 ASP 33 HB2 ASP 33 -10.810 -12.478 -14.468 239 HB3 ASP 33 HB1 ASP 33 -11.465 -13.748 -15.498 240 H GLY 34 HN GLY 34 -8.047 -13.656 -13.488 241 HA2 GLY 34 HA2 GLY 34 -6.008 -14.359 -14.369 242 HA3 GLY 34 HA1 GLY 34 -6.869 -15.527 -15.361 243 H ASP 35 HN ASP 35 -7.977 -12.263 -15.397 244 HA ASP 35 HA ASP 35 -7.331 -12.048 -18.177 245 HB2 ASP 35 HB2 ASP 35 -9.447 -11.186 -16.797 246 HB3 ASP 35 HB1 ASP 35 -8.460 -9.730 -16.710 247 H LYS 36 HN LYS 36 -6.372 -10.482 -15.198 248 HA LYS 36 HA LYS 36 -4.138 -9.243 -16.651 249 HB2 LYS 36 HB2 LYS 36 -4.259 -7.391 -14.962 250 HB3 LYS 36 HB1 LYS 36 -5.594 -7.460 -16.102 251 HG2 LYS 36 HG2 LYS 36 -6.937 -8.618 -14.369 252 HG3 LYS 36 HG1 LYS 36 -5.609 -8.362 -13.235 253 HD2 LYS 36 HD2 LYS 36 -7.190 -6.228 -14.667 254 HD3 LYS 36 HD1 LYS 36 -7.286 -6.634 -12.953 255 HE2 LYS 36 HE2 LYS 36 -4.580 -6.153 -13.443 256 HE3 LYS 36 HE1 LYS 36 -5.440 -4.897 -14.333 257 HZ1 LYS 36 HZ1 LYS 36 -6.010 -3.878 -12.454 258 HZ2 LYS 36 HZ2 LYS 36 -4.859 -4.847 -11.682 259 HZ3 LYS 36 HZ3 LYS 36 -6.485 -5.313 -11.694 260 H VAL 37 HN VAL 37 -2.340 -8.586 -15.162 261 HA VAL 37 HA VAL 37 -2.027 -10.252 -12.799 262 HB VAL 37 HB VAL 37 0.203 -10.294 -14.803 263 HG11 VAL 37 HG11 VAL 37 -0.375 -12.598 -13.074 264 HG12 VAL 37 HG12 VAL 37 0.056 -11.112 -12.230 265 HG13 VAL 37 HG13 VAL 37 1.155 -11.795 -13.428 266 HG21 VAL 37 HG21 VAL 37 -1.807 -11.136 -15.971 267 HG22 VAL 37 HG22 VAL 37 -2.022 -12.330 -14.691 268 HG23 VAL 37 HG23 VAL 37 -0.591 -12.389 -15.720 269 H HIS 38 HN HIS 38 -1.031 -9.140 -11.242 270 HA HIS 38 HA HIS 38 0.593 -6.813 -12.022 271 HB2 HIS 38 HB2 HIS 38 -1.742 -6.975 -10.284 272 HB3 HIS 38 HB1 HIS 38 -0.364 -6.225 -9.488 273 HD1 HIS 38 HD1 HIS 38 -1.570 -3.926 -9.515 274 HD2 HIS 38 HD2 HIS 38 -0.844 -5.526 -13.280 275 HE1 HIS 38 HE1 HIS 38 -1.959 -2.041 -11.133 276 HE2 HIS 38 HE2 HIS 38 -1.597 -3.055 -13.410 277 H THR 39 HN THR 39 2.316 -6.264 -10.668 278 HA THR 39 HA THR 39 3.103 -8.190 -8.587 279 HB THR 39 HB THR 39 4.951 -7.302 -10.818 280 HG1 THR 39 HG1 THR 39 3.346 -9.588 -10.562 281 HG21 THR 39 HG21 THR 39 6.513 -7.990 -9.390 282 HG22 THR 39 HG22 THR 39 5.962 -9.614 -9.803 283 HG23 THR 39 HG23 THR 39 5.343 -8.814 -8.358 284 H VAL 40 HN VAL 40 3.199 -6.822 -6.888 285 HA VAL 40 HA VAL 40 4.448 -4.188 -7.259 286 HB VAL 40 HB VAL 40 2.903 -5.137 -4.846 287 HG11 VAL 40 HG11 VAL 40 3.026 -2.287 -5.528 288 HG12 VAL 40 HG12 VAL 40 4.575 -3.009 -5.091 289 HG13 VAL 40 HG13 VAL 40 3.215 -3.093 -3.971 290 HG21 VAL 40 HG21 VAL 40 1.146 -3.515 -5.905 291 HG22 VAL 40 HG22 VAL 40 1.236 -5.195 -6.435 292 HG23 VAL 40 HG23 VAL 40 1.972 -3.922 -7.409 293 H VAL 41 HN VAL 41 6.576 -4.205 -6.854 294 HA VAL 41 HA VAL 41 7.688 -6.167 -5.086 295 HB VAL 41 HB VAL 41 9.217 -3.897 -6.318 296 HG11 VAL 41 HG11 VAL 41 11.066 -4.921 -5.566 297 HG12 VAL 41 HG12 VAL 41 10.483 -6.516 -6.038 298 HG13 VAL 41 HG13 VAL 41 9.984 -5.817 -4.499 299 HG21 VAL 41 HG21 VAL 41 9.597 -5.182 -8.265 300 HG22 VAL 41 HG22 VAL 41 7.856 -5.232 -7.989 301 HG23 VAL 41 HG23 VAL 41 8.859 -6.616 -7.553 302 H LEU 42 HN LEU 42 7.482 -5.938 -3.005 303 HA LEU 42 HA LEU 42 6.976 -3.687 -1.520 304 HB2 LEU 42 HB2 LEU 42 8.347 -6.265 -0.930 305 HB3 LEU 42 HB1 LEU 42 8.342 -5.016 0.294 306 HG LEU 42 HG LEU 42 5.763 -5.014 -0.054 307 HD11 LEU 42 HD11 LEU 42 5.868 -6.483 -2.064 308 HD12 LEU 42 HD12 LEU 42 4.802 -7.078 -0.792 309 HD13 LEU 42 HD13 LEU 42 6.394 -7.800 -1.015 310 HD21 LEU 42 HD21 LEU 42 6.268 -5.698 2.036 311 HD22 LEU 42 HD22 LEU 42 7.509 -6.824 1.484 312 HD23 LEU 42 HD23 LEU 42 5.806 -7.276 1.396 313 H SER 43 HN SER 43 9.948 -4.743 -2.947 314 HA SER 43 HA SER 43 11.792 -3.301 -1.402 315 HB2 SER 43 HB2 SER 43 11.864 -4.874 -3.758 316 HB3 SER 43 HB1 SER 43 12.640 -3.338 -4.139 317 HG SER 43 HG SER 43 14.291 -4.017 -3.054 318 H THR 44 HN THR 44 10.240 -2.476 -4.445 319 HA THR 44 HA THR 44 11.172 0.214 -4.450 320 HB THR 44 HB THR 44 9.170 0.328 -6.188 321 HG1 THR 44 HG1 THR 44 8.210 -1.597 -5.860 322 HG21 THR 44 HG21 THR 44 11.636 -1.295 -6.742 323 HG22 THR 44 HG22 THR 44 11.521 0.463 -6.824 324 HG23 THR 44 HG23 THR 44 10.594 -0.536 -7.945 325 H ILE 45 HN ILE 45 8.629 -1.470 -2.890 326 HA ILE 45 HA ILE 45 7.042 0.962 -2.495 327 HB ILE 45 HB ILE 45 6.500 -1.823 -1.463 328 HG12 ILE 45 HG12 ILE 45 6.537 -1.693 -3.944 329 HG13 ILE 45 HG11 ILE 45 4.939 -2.059 -3.304 330 HG21 ILE 45 HG21 ILE 45 5.446 0.183 -0.300 331 HG22 ILE 45 HG22 ILE 45 4.354 -1.079 -0.871 332 HG23 ILE 45 HG23 ILE 45 4.527 0.417 -1.788 333 HD11 ILE 45 HD11 ILE 45 5.864 0.224 -4.862 334 HD12 ILE 45 HD12 ILE 45 4.872 0.660 -3.471 335 HD13 ILE 45 HD13 ILE 45 4.246 -0.455 -4.685 336 H ASP 46 HN ASP 46 7.914 2.279 -1.017 337 HA ASP 46 HA ASP 46 9.122 1.169 1.397 338 HB2 ASP 46 HB2 ASP 46 9.940 3.200 -0.164 339 HB3 ASP 46 HB1 ASP 46 8.974 4.102 1.000 340 H LYS 47 HN LYS 47 6.077 1.919 0.501 341 HA LYS 47 HA LYS 47 5.339 2.654 3.248 342 HB2 LYS 47 HB2 LYS 47 4.879 4.179 0.829 343 HB3 LYS 47 HB1 LYS 47 3.365 3.779 1.631 344 HG2 LYS 47 HG2 LYS 47 3.815 5.702 2.723 345 HG3 LYS 47 HG1 LYS 47 4.743 4.611 3.753 346 HD2 LYS 47 HD2 LYS 47 6.758 5.120 2.412 347 HD3 LYS 47 HD1 LYS 47 5.811 6.276 1.473 348 HE2 LYS 47 HE2 LYS 47 6.779 7.665 3.024 349 HE3 LYS 47 HE1 LYS 47 5.258 7.275 3.828 350 HZ1 LYS 47 HZ1 LYS 47 6.633 6.793 5.524 351 HZ2 LYS 47 HZ2 LYS 47 7.973 6.518 4.529 352 HZ3 LYS 47 HZ3 LYS 47 6.805 5.310 4.726 353 H LEU 48 HN LEU 48 3.475 1.782 4.033 354 HA LEU 48 HA LEU 48 1.699 0.224 2.373 355 HB2 LEU 48 HB2 LEU 48 3.138 -1.561 2.636 356 HB3 LEU 48 HB1 LEU 48 3.703 -1.017 4.202 357 HG LEU 48 HG LEU 48 2.323 -3.159 4.124 358 HD11 LEU 48 HD11 LEU 48 1.846 -2.851 6.295 359 HD12 LEU 48 HD12 LEU 48 0.945 -1.365 5.998 360 HD13 LEU 48 HD13 LEU 48 2.707 -1.329 6.068 361 HD21 LEU 48 HD21 LEU 48 0.226 -3.153 3.387 362 HD22 LEU 48 HD22 LEU 48 0.522 -1.528 2.771 363 HD23 LEU 48 HD23 LEU 48 -0.186 -1.748 4.371 364 H GLN 49 HN GLN 49 -0.332 0.313 3.212 365 HA GLN 49 HA GLN 49 -0.628 0.859 6.076 366 HB2 GLN 49 HB2 GLN 49 -2.190 2.482 4.095 367 HB3 GLN 49 HB1 GLN 49 -1.904 2.791 5.795 368 HG2 GLN 49 HG2 GLN 49 -0.421 4.279 5.052 369 HG3 GLN 49 HG1 GLN 49 0.622 2.878 4.833 370 HE21 GLN 49 HE21 GLN 49 -1.037 5.426 3.324 371 HE22 GLN 49 HE22 GLN 49 -0.647 5.029 1.688 372 H ALA 50 HN ALA 50 -2.538 0.219 6.996 373 HA ALA 50 HA ALA 50 -4.537 -1.084 5.270 374 HB1 ALA 50 HB1 ALA 50 -3.071 -2.768 6.427 375 HB2 ALA 50 HB2 ALA 50 -4.791 -2.906 6.779 376 HB3 ALA 50 HB3 ALA 50 -3.708 -2.165 7.956 377 H THR 51 HN THR 51 -6.665 -0.778 5.898 378 HA THR 51 HA THR 51 -7.123 1.480 7.612 379 HB THR 51 HB THR 51 -9.593 0.757 7.022 380 HG1 THR 51 HG1 THR 51 -9.433 -1.114 6.031 381 HG21 THR 51 HG21 THR 51 -8.246 2.712 6.103 382 HG22 THR 51 HG22 THR 51 -9.546 2.074 5.103 383 HG23 THR 51 HG23 THR 51 -7.872 1.659 4.738 384 HA PRO 52 HA PRO 52 -8.187 -1.220 11.118 385 HB2 PRO 52 HB2 PRO 52 -6.368 -0.279 12.801 386 HB3 PRO 52 HB1 PRO 52 -5.859 -1.238 11.404 387 HG2 PRO 52 HG2 PRO 52 -5.529 1.648 11.901 388 HG3 PRO 52 HG1 PRO 52 -4.656 0.597 10.775 389 HD2 PRO 52 HD2 PRO 52 -6.997 2.309 10.282 390 HD3 PRO 52 HD1 PRO 52 -5.908 1.543 9.110 391 H ALA 53 HN ALA 53 -8.992 -0.767 13.283 392 HA ALA 53 HA ALA 53 -10.691 0.306 14.463 393 HB1 ALA 53 HB1 ALA 53 -8.114 1.749 14.842 394 HB2 ALA 53 HB2 ALA 53 -8.904 0.574 15.893 395 HB3 ALA 53 HB3 ALA 53 -9.551 2.209 15.756 396 H SER 54 HN SER 54 -8.913 3.123 13.322 397 HA SER 54 HA SER 54 -11.100 4.871 13.264 398 HB2 SER 54 HB2 SER 54 -8.604 4.955 11.581 399 HB3 SER 54 HB1 SER 54 -9.651 6.331 11.945 400 HG SER 54 HG SER 54 -8.833 6.453 13.914 401 H SER 55 HN SER 55 -9.847 2.664 10.937 402 HA SER 55 HA SER 55 -11.991 3.439 9.080 403 HB2 SER 55 HB2 SER 55 -9.697 3.819 8.197 404 HB3 SER 55 HB1 SER 55 -9.369 2.100 8.390 405 HG SER 55 HG SER 55 -11.657 2.779 6.964 406 H GLU 56 HN GLU 56 -13.577 2.049 9.779 407 HA GLU 56 HA GLU 56 -13.201 -0.643 10.488 408 HB2 GLU 56 HB2 GLU 56 -15.256 0.618 11.005 409 HB3 GLU 56 HB1 GLU 56 -15.653 0.672 9.293 410 HG2 GLU 56 HG2 GLU 56 -15.696 -1.834 9.325 411 HG3 GLU 56 HG1 GLU 56 -15.555 -1.742 11.080 412 H LYS 57 HN LYS 57 -13.086 0.954 7.499 413 HA LYS 57 HA LYS 57 -13.961 -0.909 5.660 414 HB2 LYS 57 HB2 LYS 57 -12.019 1.335 5.664 415 HB3 LYS 57 HB1 LYS 57 -11.884 0.186 4.339 416 HG2 LYS 57 HG2 LYS 57 -13.343 1.633 3.403 417 HG3 LYS 57 HG1 LYS 57 -14.501 0.587 4.227 418 HD2 LYS 57 HD2 LYS 57 -15.209 2.711 4.838 419 HD3 LYS 57 HD1 LYS 57 -14.205 2.229 6.208 420 HE2 LYS 57 HE2 LYS 57 -12.311 3.457 5.204 421 HE3 LYS 57 HE1 LYS 57 -13.376 3.992 3.905 422 HZ1 LYS 57 HZ1 LYS 57 -13.317 5.733 5.456 423 HZ2 LYS 57 HZ2 LYS 57 -13.510 4.696 6.777 424 HZ3 LYS 57 HZ3 LYS 57 -14.803 4.968 5.721 425 H MET 58 HN MET 58 -12.067 -1.721 4.009 426 HA MET 58 HA MET 58 -10.012 -3.178 5.470 427 HB2 MET 58 HB2 MET 58 -10.731 -5.295 4.237 428 HB3 MET 58 HB1 MET 58 -11.731 -4.793 5.593 429 HG2 MET 58 HG2 MET 58 -12.509 -3.779 2.939 430 HG3 MET 58 HG1 MET 58 -12.716 -5.508 3.220 431 HE1 MET 58 HE1 MET 58 -16.319 -5.004 4.009 432 HE2 MET 58 HE2 MET 58 -15.045 -6.094 3.451 433 HE3 MET 58 HE3 MET 58 -15.365 -4.584 2.585 434 H MET 59 HN MET 59 -8.940 -1.437 4.157 435 HA MET 59 HA MET 59 -8.356 -2.463 1.465 436 HB2 MET 59 HB2 MET 59 -8.130 -0.107 0.711 437 HB3 MET 59 HB1 MET 59 -9.766 -0.520 1.208 438 HG2 MET 59 HG2 MET 59 -8.464 0.440 3.497 439 HG3 MET 59 HG1 MET 59 -8.032 1.529 2.187 440 HE1 MET 59 HE1 MET 59 -8.979 3.544 2.421 441 HE2 MET 59 HE2 MET 59 -9.680 3.451 4.030 442 HE3 MET 59 HE3 MET 59 -10.665 3.970 2.673 443 H LEU 60 HN LEU 60 -6.257 -2.379 0.785 444 HA LEU 60 HA LEU 60 -4.271 -1.488 2.773 445 HB2 LEU 60 HB2 LEU 60 -4.184 -3.748 0.776 446 HB3 LEU 60 HB1 LEU 60 -2.743 -3.136 1.562 447 HG LEU 60 HG LEU 60 -5.051 -4.619 2.791 448 HD11 LEU 60 HD11 LEU 60 -2.100 -5.050 2.505 449 HD12 LEU 60 HD12 LEU 60 -3.429 -6.124 2.067 450 HD13 LEU 60 HD13 LEU 60 -3.021 -5.871 3.766 451 HD21 LEU 60 HD21 LEU 60 -4.689 -2.757 4.266 452 HD22 LEU 60 HD22 LEU 60 -2.943 -3.002 4.216 453 HD23 LEU 60 HD23 LEU 60 -3.980 -4.201 4.990 454 H ARG 61 HN ARG 61 -2.783 -0.007 2.139 455 HA ARG 61 HA ARG 61 -2.778 0.743 -0.715 456 HB2 ARG 61 HB2 ARG 61 -3.831 2.445 0.711 457 HB3 ARG 61 HB1 ARG 61 -2.369 2.536 1.684 458 HG2 ARG 61 HG2 ARG 61 -1.338 3.874 0.223 459 HG3 ARG 61 HG1 ARG 61 -1.905 2.950 -1.169 460 HD2 ARG 61 HD2 ARG 61 -4.217 4.072 -0.425 461 HD3 ARG 61 HD1 ARG 61 -3.103 5.300 0.175 462 HE ARG 61 HE ARG 61 -2.581 4.500 -2.534 463 HH11 ARG 61 HH11 ARG 61 -4.448 6.629 -0.494 464 HH12 ARG 61 HH12 ARG 61 -4.705 7.802 -1.742 465 HH21 ARG 61 HH21 ARG 61 -2.918 6.042 -4.175 466 HH22 ARG 61 HH22 ARG 61 -3.837 7.469 -3.832 467 H LEU 62 HN LEU 62 -0.870 1.034 -1.734 468 HA LEU 62 HA LEU 62 1.598 0.806 -0.156 469 HB2 LEU 62 HB2 LEU 62 1.297 -0.534 -2.827 470 HB3 LEU 62 HB1 LEU 62 2.535 -0.788 -1.613 471 HG LEU 62 HG LEU 62 1.177 -2.714 -1.564 472 HD11 LEU 62 HD11 LEU 62 1.044 -2.788 0.650 473 HD12 LEU 62 HD12 LEU 62 -0.267 -1.608 0.678 474 HD13 LEU 62 HD13 LEU 62 1.411 -1.063 0.660 475 HD21 LEU 62 HD21 LEU 62 -0.993 -2.785 -2.083 476 HD22 LEU 62 HD22 LEU 62 -0.809 -1.097 -2.560 477 HD23 LEU 62 HD23 LEU 62 -1.398 -1.499 -0.947 478 H ILE 63 HN ILE 63 3.341 1.982 -0.912 479 HA ILE 63 HA ILE 63 2.897 3.587 -3.334 480 HB ILE 63 HB ILE 63 3.678 4.555 -0.608 481 HG12 ILE 63 HG12 ILE 63 2.075 6.387 -2.020 482 HG13 ILE 63 HG11 ILE 63 1.417 4.790 -2.371 483 HG21 ILE 63 HG21 ILE 63 4.290 5.921 -3.220 484 HG22 ILE 63 HG22 ILE 63 5.438 5.418 -1.979 485 HG23 ILE 63 HG23 ILE 63 4.297 6.723 -1.650 486 HD11 ILE 63 HD11 ILE 63 1.951 5.874 0.374 487 HD12 ILE 63 HD12 ILE 63 1.193 4.332 -0.025 488 HD13 ILE 63 HD13 ILE 63 0.379 5.845 -0.424 489 H GLY 64 HN GLY 64 4.569 3.608 -4.712 490 HA2 GLY 64 HA2 GLY 64 6.875 2.014 -4.192 491 HA3 GLY 64 HA1 GLY 64 6.593 2.993 -5.623 492 H LYS 65 HN LYS 65 8.990 3.276 -5.291 493 HA LYS 65 HA LYS 65 9.765 5.073 -3.160 494 HB2 LYS 65 HB2 LYS 65 11.122 3.166 -4.537 495 HB3 LYS 65 HB1 LYS 65 11.635 4.610 -5.399 496 HG2 LYS 65 HG2 LYS 65 13.229 4.660 -3.820 497 HG3 LYS 65 HG1 LYS 65 11.968 5.438 -2.861 498 HD2 LYS 65 HD2 LYS 65 11.508 3.495 -1.664 499 HD3 LYS 65 HD1 LYS 65 12.245 2.455 -2.884 500 HE2 LYS 65 HE2 LYS 65 13.977 2.405 -1.451 501 HE3 LYS 65 HE1 LYS 65 14.367 3.972 -2.159 502 HZ1 LYS 65 HZ1 LYS 65 13.650 5.085 -0.325 503 HZ2 LYS 65 HZ2 LYS 65 14.161 3.655 0.421 504 HZ3 LYS 65 HZ3 LYS 65 12.517 3.905 0.110 505 H VAL 66 HN VAL 66 10.927 7.101 -3.640 506 HA VAL 66 HA VAL 66 10.236 8.389 -6.160 507 HB VAL 66 HB VAL 66 9.394 10.418 -4.880 508 HG11 VAL 66 HG11 VAL 66 8.075 8.346 -6.016 509 HG12 VAL 66 HG12 VAL 66 7.290 9.783 -5.362 510 HG13 VAL 66 HG13 VAL 66 7.398 8.316 -4.388 511 HG21 VAL 66 HG21 VAL 66 10.219 9.210 -2.669 512 HG22 VAL 66 HG22 VAL 66 8.573 8.578 -2.698 513 HG23 VAL 66 HG23 VAL 66 8.848 10.320 -2.667 514 H ASP 67 HN ASP 67 11.036 10.833 -5.944 515 HA ASP 67 HA ASP 67 13.774 10.668 -4.876 516 HB2 ASP 67 HB2 ASP 67 12.612 11.861 -7.334 517 HB3 ASP 67 HB1 ASP 67 13.936 12.741 -6.577 518 H GLU 68 HN GLU 68 10.959 12.775 -5.197 519 HA GLU 68 HA GLU 68 10.400 14.762 -4.216 520 HB2 GLU 68 HB2 GLU 68 10.714 14.707 -1.689 521 HB3 GLU 68 HB1 GLU 68 9.778 13.401 -2.400 522 HG2 GLU 68 HG2 GLU 68 11.684 11.916 -2.252 523 HG3 GLU 68 HG1 GLU 68 12.678 13.226 -1.614 524 H SER 69 HN SER 69 13.012 14.727 -5.430 525 HA SER 69 HA SER 69 14.390 16.687 -3.764 526 HB2 SER 69 HB2 SER 69 15.479 14.376 -4.592 527 HB3 SER 69 HB1 SER 69 15.878 15.396 -5.974 528 HG SER 69 HG SER 69 16.499 15.945 -3.258 529 H LYS 70 HN LYS 70 13.321 15.884 -6.977 530 HA LYS 70 HA LYS 70 14.171 18.423 -8.054 531 HB2 LYS 70 HB2 LYS 70 13.239 17.572 -10.180 532 HB3 LYS 70 HB1 LYS 70 14.420 16.479 -9.470 533 HG2 LYS 70 HG2 LYS 70 11.687 15.913 -8.635 534 HG3 LYS 70 HG1 LYS 70 11.930 15.787 -10.379 535 HD2 LYS 70 HD2 LYS 70 13.762 14.472 -8.387 536 HD3 LYS 70 HD1 LYS 70 12.320 13.677 -9.019 537 HE2 LYS 70 HE2 LYS 70 13.719 12.934 -10.614 538 HE3 LYS 70 HE1 LYS 70 13.474 14.534 -11.313 539 HZ1 LYS 70 HZ1 LYS 70 15.547 15.180 -10.781 540 HZ2 LYS 70 HZ2 LYS 70 15.868 13.520 -10.778 541 HZ3 LYS 70 HZ3 LYS 70 15.577 14.327 -9.320 542 H LYS 71 HN LYS 71 11.736 17.667 -6.106 543 HA LYS 71 HA LYS 71 9.378 18.492 -7.318 544 HB2 LYS 71 HB2 LYS 71 8.510 18.833 -5.111 545 HB3 LYS 71 HB1 LYS 71 9.593 17.450 -5.055 546 HG2 LYS 71 HG2 LYS 71 11.014 19.889 -4.468 547 HG3 LYS 71 HG1 LYS 71 9.623 19.688 -3.401 548 HD2 LYS 71 HD2 LYS 71 10.622 17.188 -3.348 549 HD3 LYS 71 HD1 LYS 71 12.107 18.106 -3.608 550 HE2 LYS 71 HE2 LYS 71 11.068 19.595 -1.671 551 HE3 LYS 71 HE1 LYS 71 10.267 18.075 -1.277 552 HZ1 LYS 71 HZ1 LYS 71 12.467 18.493 -0.164 553 HZ2 LYS 71 HZ2 LYS 71 13.195 18.273 -1.675 554 HZ3 LYS 71 HZ3 LYS 71 12.324 17.009 -0.965 555 H ARG 72 HN ARG 72 8.338 20.614 -5.945 556 HA ARG 72 HA ARG 72 10.079 22.890 -6.590 557 HB2 ARG 72 HB2 ARG 72 8.228 24.064 -7.647 558 HB3 ARG 72 HB1 ARG 72 8.529 22.541 -8.472 559 HG2 ARG 72 HG2 ARG 72 6.399 22.877 -6.379 560 HG3 ARG 72 HG1 ARG 72 6.116 23.133 -8.102 561 HD2 ARG 72 HD2 ARG 72 7.349 20.704 -8.100 562 HD3 ARG 72 HD1 ARG 72 6.443 20.642 -6.589 563 HE ARG 72 HE ARG 72 4.891 21.540 -8.836 564 HH11 ARG 72 HH11 ARG 72 6.015 18.752 -7.063 565 HH12 ARG 72 HH12 ARG 72 4.722 17.733 -7.600 566 HH21 ARG 72 HH21 ARG 72 3.189 20.201 -9.544 567 HH22 ARG 72 HH22 ARG 72 3.118 18.555 -9.009 568 H LYS 73 HN LYS 73 10.026 24.528 -5.145 569 HA LYS 73 HA LYS 73 8.557 24.098 -2.698 570 HB2 LYS 73 HB2 LYS 73 10.471 26.287 -3.521 571 HB3 LYS 73 HB1 LYS 73 9.771 26.128 -1.916 572 HG2 LYS 73 HG2 LYS 73 11.932 25.206 -1.788 573 HG3 LYS 73 HG1 LYS 73 10.820 23.836 -1.817 574 HD2 LYS 73 HD2 LYS 73 11.410 23.232 -3.966 575 HD3 LYS 73 HD1 LYS 73 11.969 24.854 -4.379 576 HE2 LYS 73 HE2 LYS 73 13.784 24.407 -2.577 577 HE3 LYS 73 HE1 LYS 73 13.355 22.713 -2.813 578 HZ1 LYS 73 HZ1 LYS 73 14.025 24.448 -5.106 579 HZ2 LYS 73 HZ2 LYS 73 14.065 22.760 -5.010 580 HZ3 LYS 73 HZ3 LYS 73 15.238 23.680 -4.211 581 H ASP 74 HN ASP 74 7.264 25.779 -1.684 582 HA ASP 74 HA ASP 74 5.599 27.134 -3.642 583 HB2 ASP 74 HB2 ASP 74 5.023 26.739 -0.708 584 HB3 ASP 74 HB1 ASP 74 3.883 27.202 -1.967 585 H ASN 75 HN ASN 75 4.639 29.270 -2.886 586 HA ASN 75 HA ASN 75 6.700 31.140 -2.553 587 HB2 ASN 75 HB2 ASN 75 3.709 31.402 -2.242 588 HB3 ASN 75 HB1 ASN 75 4.812 32.773 -2.162 589 HD21 ASN 75 HD21 ASN 75 2.684 32.285 -4.045 590 HD22 ASN 75 HD22 ASN 75 3.409 32.248 -5.613 591 H GLU 76 HN GLU 76 4.819 29.390 -0.261 592 HA GLU 76 HA GLU 76 5.492 31.141 1.930 593 HB2 GLU 76 HB2 GLU 76 3.729 28.786 1.555 594 HB3 GLU 76 HB1 GLU 76 4.370 29.052 3.170 595 HG2 GLU 76 HG2 GLU 76 2.976 31.216 1.632 596 HG3 GLU 76 HG1 GLU 76 2.102 30.056 2.631 597 H GLY 77 HN GLY 77 7.357 29.169 0.282 598 HA2 GLY 77 HA2 GLY 77 9.427 28.291 0.822 599 HA3 GLY 77 HA1 GLY 77 9.104 28.660 2.509 600 H ASN 78 HN ASN 78 6.818 26.802 0.669 601 HA ASN 78 HA ASN 78 7.368 24.500 2.381 602 HB2 ASN 78 HB2 ASN 78 5.022 25.477 0.838 603 HB3 ASN 78 HB1 ASN 78 5.185 23.733 1.023 604 HD21 ASN 78 HD21 ASN 78 4.953 26.772 2.763 605 HD22 ASN 78 HD22 ASN 78 4.327 26.101 4.226 606 H GLU 79 HN GLU 79 6.616 22.358 1.014 607 HA GLU 79 HA GLU 79 7.726 22.276 -1.636 608 HB2 GLU 79 HB2 GLU 79 9.420 20.480 -0.948 609 HB3 GLU 79 HB1 GLU 79 9.830 22.156 -0.607 610 HG2 GLU 79 HG2 GLU 79 8.460 21.199 1.651 611 HG3 GLU 79 HG1 GLU 79 9.605 19.941 1.186 612 H VAL 80 HN VAL 80 8.032 19.750 -2.191 613 HA VAL 80 HA VAL 80 6.279 17.937 -0.896 614 HB VAL 80 HB VAL 80 4.778 19.677 -2.192 615 HG11 VAL 80 HG11 VAL 80 4.460 19.414 -4.429 616 HG12 VAL 80 HG12 VAL 80 4.935 17.715 -4.413 617 HG13 VAL 80 HG13 VAL 80 6.166 18.975 -4.334 618 HG21 VAL 80 HG21 VAL 80 4.507 16.877 -1.526 619 HG22 VAL 80 HG22 VAL 80 3.466 17.329 -2.876 620 HG23 VAL 80 HG23 VAL 80 3.352 18.198 -1.346 621 H VAL 81 HN VAL 81 5.595 16.315 -3.096 622 HA VAL 81 HA VAL 81 8.221 15.632 -4.174 623 HB VAL 81 HB VAL 81 6.037 13.643 -3.594 624 HG11 VAL 81 HG11 VAL 81 8.953 13.400 -4.299 625 HG12 VAL 81 HG12 VAL 81 7.563 12.821 -5.217 626 HG13 VAL 81 HG13 VAL 81 7.989 12.057 -3.685 627 HG21 VAL 81 HG21 VAL 81 7.889 13.084 -1.728 628 HG22 VAL 81 HG22 VAL 81 6.493 14.119 -1.430 629 HG23 VAL 81 HG23 VAL 81 8.059 14.837 -1.805 630 HA PRO 82 HA PRO 82 6.499 16.086 -8.228 631 HB2 PRO 82 HB2 PRO 82 8.245 13.815 -9.002 632 HB3 PRO 82 HB1 PRO 82 8.179 15.457 -9.651 633 HG2 PRO 82 HG2 PRO 82 10.197 14.698 -8.095 634 HG3 PRO 82 HG1 PRO 82 9.498 16.322 -7.946 635 HD2 PRO 82 HD2 PRO 82 9.068 13.909 -6.224 636 HD3 PRO 82 HD1 PRO 82 9.299 15.604 -5.747 637 H LYS 83 HN LYS 83 4.475 15.115 -7.272 638 HA LYS 83 HA LYS 83 2.816 13.532 -7.153 639 HB2 LYS 83 HB2 LYS 83 3.712 13.691 -10.001 640 HB3 LYS 83 HB1 LYS 83 2.412 12.592 -9.557 641 HG2 LYS 83 HG2 LYS 83 1.106 14.364 -9.975 642 HG3 LYS 83 HG1 LYS 83 1.580 14.859 -8.348 643 HD2 LYS 83 HD2 LYS 83 1.883 16.729 -9.815 644 HD3 LYS 83 HD1 LYS 83 3.477 16.122 -9.361 645 HE2 LYS 83 HE2 LYS 83 3.031 14.682 -11.597 646 HE3 LYS 83 HE1 LYS 83 2.127 16.146 -11.983 647 HZ1 LYS 83 HZ1 LYS 83 4.187 17.402 -11.374 648 HZ2 LYS 83 HZ2 LYS 83 4.319 16.453 -12.768 649 HZ3 LYS 83 HZ3 LYS 83 5.007 15.923 -11.316 650 HA PRO 84 HA PRO 84 5.624 9.859 -6.593 651 HB2 PRO 84 HB2 PRO 84 3.834 9.517 -4.263 652 HB3 PRO 84 HB1 PRO 84 5.597 9.478 -4.341 653 HG2 PRO 84 HG2 PRO 84 4.306 11.549 -3.249 654 HG3 PRO 84 HG1 PRO 84 5.788 11.778 -4.196 655 HD2 PRO 84 HD2 PRO 84 2.939 12.239 -4.991 656 HD3 PRO 84 HD1 PRO 84 4.383 13.206 -5.359 657 H GLN 85 HN GLN 85 5.163 7.742 -7.077 658 HA GLN 85 HA GLN 85 2.574 7.214 -8.221 659 HB2 GLN 85 HB2 GLN 85 5.118 5.619 -7.990 660 HB3 GLN 85 HB1 GLN 85 3.641 4.913 -8.631 661 HG2 GLN 85 HG2 GLN 85 4.501 7.481 -9.807 662 HG3 GLN 85 HG1 GLN 85 5.495 6.068 -10.159 663 HE21 GLN 85 HE21 GLN 85 3.299 7.851 -11.529 664 HE22 GLN 85 HE22 GLN 85 2.363 6.677 -12.383 665 H ARG 86 HN ARG 86 0.932 6.779 -6.890 666 HA ARG 86 HA ARG 86 1.381 4.800 -4.753 667 HB2 ARG 86 HB2 ARG 86 -0.720 6.919 -4.488 668 HB3 ARG 86 HB1 ARG 86 0.091 5.996 -3.231 669 HG2 ARG 86 HG2 ARG 86 2.192 7.265 -3.831 670 HG3 ARG 86 HG1 ARG 86 1.165 8.314 -4.810 671 HD2 ARG 86 HD2 ARG 86 0.154 9.253 -2.993 672 HD3 ARG 86 HD1 ARG 86 0.343 7.806 -2.004 673 HE ARG 86 HE ARG 86 2.875 8.914 -2.512 674 HH11 ARG 86 HH11 ARG 86 -0.034 9.587 -0.705 675 HH12 ARG 86 HH12 ARG 86 0.788 10.492 0.522 676 HH21 ARG 86 HH21 ARG 86 3.958 10.103 -0.899 677 HH22 ARG 86 HH22 ARG 86 3.054 10.785 0.411 678 H HIS 87 HN HIS 87 -0.442 3.484 -4.197 679 HA HIS 87 HA HIS 87 -2.679 3.478 -6.071 680 HB2 HIS 87 HB2 HIS 87 -2.241 0.814 -5.988 681 HB3 HIS 87 HB1 HIS 87 -1.640 1.854 -7.273 682 HD1 HIS 87 HD1 HIS 87 0.858 2.030 -7.543 683 HD2 HIS 87 HD2 HIS 87 -0.249 0.090 -4.041 684 HE1 HIS 87 HE1 HIS 87 2.988 1.088 -6.596 685 HE2 HIS 87 HE2 HIS 87 2.279 -0.160 -4.525 686 H MET 88 HN MET 88 -4.567 2.864 -5.158 687 HA MET 88 HA MET 88 -4.450 2.065 -2.332 688 HB2 MET 88 HB2 MET 88 -5.650 4.040 -2.365 689 HB3 MET 88 HB1 MET 88 -6.369 3.705 -3.932 690 HG2 MET 88 HG2 MET 88 -7.998 3.664 -2.093 691 HG3 MET 88 HG1 MET 88 -7.898 2.130 -2.954 692 HE1 MET 88 HE1 MET 88 -8.917 2.470 0.676 693 HE2 MET 88 HE2 MET 88 -8.227 3.921 -0.047 694 HE3 MET 88 HE3 MET 88 -7.412 3.139 1.312 695 H PHE 89 HN PHE 89 -4.706 -0.029 -2.023 696 HA PHE 89 HA PHE 89 -6.320 -1.599 -3.882 697 HB2 PHE 89 HB2 PHE 89 -3.963 -2.104 -2.395 698 HB3 PHE 89 HB1 PHE 89 -5.208 -3.163 -1.742 699 HD1 PHE 89 HD2 PHE 89 -6.809 -3.850 -4.028 700 HD2 PHE 89 HD1 PHE 89 -2.588 -3.382 -3.736 701 HE1 PHE 89 HE2 PHE 89 -6.512 -5.368 -5.939 702 HE2 PHE 89 HE1 PHE 89 -2.287 -4.896 -5.652 703 HZ PHE 89 HZ PHE 89 -4.255 -5.884 -6.752 704 H SER 90 HN SER 90 -8.273 -2.482 -3.353 705 HA SER 90 HA SER 90 -9.135 -2.305 -0.553 706 HB2 SER 90 HB2 SER 90 -9.888 -0.344 -2.124 707 HB3 SER 90 HB1 SER 90 -11.052 -1.531 -2.715 708 HG SER 90 HG SER 90 -11.013 -0.149 -0.364 709 H PHE 91 HN PHE 91 -10.071 -4.090 0.140 710 HA PHE 91 HA PHE 91 -11.414 -5.829 -1.804 711 HB2 PHE 91 HB2 PHE 91 -10.479 -7.538 0.221 712 HB3 PHE 91 HB1 PHE 91 -9.950 -7.472 -1.454 713 HD1 PHE 91 HD2 PHE 91 -8.263 -5.235 -1.733 714 HD2 PHE 91 HD1 PHE 91 -8.764 -7.733 1.674 715 HE1 PHE 91 HE2 PHE 91 -5.997 -4.660 -0.980 716 HE2 PHE 91 HE1 PHE 91 -6.497 -7.170 2.422 717 HZ PHE 91 HZ PHE 91 -5.106 -5.629 1.098 718 H ASN 92 HN ASN 92 -12.823 -7.490 -0.585 719 HA ASN 92 HA ASN 92 -14.419 -5.957 1.315 720 HB2 ASN 92 HB2 ASN 92 -14.946 -8.207 -0.557 721 HB3 ASN 92 HB1 ASN 92 -15.925 -8.129 0.904 722 HD21 ASN 92 HD21 ASN 92 -15.483 -6.969 -2.225 723 HD22 ASN 92 HD22 ASN 92 -16.664 -5.709 -2.194 724 H ASN 93 HN ASN 93 -11.881 -7.253 2.090 725 HA ASN 93 HA ASN 93 -12.977 -8.902 4.252 726 HB2 ASN 93 HB2 ASN 93 -11.122 -9.729 2.199 727 HB3 ASN 93 HB1 ASN 93 -10.395 -9.888 3.794 728 HD21 ASN 93 HD21 ASN 93 -12.251 -11.389 1.517 729 HD22 ASN 93 HD22 ASN 93 -12.992 -12.595 2.508 730 H ARG 94 HN ARG 94 -12.672 -7.867 6.076 731 HA ARG 94 HA ARG 94 -10.504 -5.988 6.415 732 HB2 ARG 94 HB2 ARG 94 -12.867 -5.693 7.318 733 HB3 ARG 94 HB1 ARG 94 -12.455 -6.903 8.525 734 HG2 ARG 94 HG2 ARG 94 -10.839 -5.520 9.519 735 HG3 ARG 94 HG1 ARG 94 -10.820 -4.417 8.142 736 HD2 ARG 94 HD2 ARG 94 -12.177 -3.175 9.439 737 HD3 ARG 94 HD1 ARG 94 -13.422 -4.275 8.849 738 HE ARG 94 HE ARG 94 -13.574 -5.182 10.948 739 HH11 ARG 94 HH11 ARG 94 -10.671 -3.256 10.749 740 HH12 ARG 94 HH12 ARG 94 -10.336 -3.359 12.445 741 HH21 ARG 94 HH21 ARG 94 -13.136 -5.319 13.179 742 HH22 ARG 94 HH22 ARG 94 -11.735 -4.531 13.825 743 H THR 95 HN THR 95 -11.288 -9.247 7.355 744 HA THR 95 HA THR 95 -9.302 -9.487 9.388 745 HB THR 95 HB THR 95 -11.448 -10.964 8.729 746 HG1 THR 95 HG1 THR 95 -9.097 -11.744 10.077 747 HG21 THR 95 HG21 THR 95 -9.150 -12.581 7.658 748 HG22 THR 95 HG22 THR 95 -10.478 -11.920 6.704 749 HG23 THR 95 HG23 THR 95 -10.798 -13.150 7.926 750 H VAL 96 HN VAL 96 -9.485 -10.351 5.972 751 HA VAL 96 HA VAL 96 -6.960 -11.569 5.754 752 HB VAL 96 HB VAL 96 -8.406 -10.051 3.578 753 HG11 VAL 96 HG11 VAL 96 -6.966 -10.941 2.097 754 HG12 VAL 96 HG12 VAL 96 -6.868 -12.477 2.958 755 HG13 VAL 96 HG13 VAL 96 -5.909 -11.100 3.500 756 HG21 VAL 96 HG21 VAL 96 -9.927 -11.649 4.575 757 HG22 VAL 96 HG22 VAL 96 -8.715 -12.923 4.447 758 HG23 VAL 96 HG23 VAL 96 -9.414 -12.221 2.988 759 H MET 97 HN MET 97 -7.948 -8.284 4.733 760 HA MET 97 HA MET 97 -5.519 -7.271 3.996 761 HB2 MET 97 HB2 MET 97 -6.392 -5.035 4.850 762 HB3 MET 97 HB1 MET 97 -7.392 -5.886 3.684 763 HG2 MET 97 HG2 MET 97 -9.067 -5.566 5.090 764 HG3 MET 97 HG1 MET 97 -8.329 -6.811 6.093 765 HE1 MET 97 HE1 MET 97 -6.500 -3.108 5.838 766 HE2 MET 97 HE2 MET 97 -7.902 -2.291 6.527 767 HE3 MET 97 HE3 MET 97 -8.069 -3.230 5.044 768 H ASP 98 HN ASP 98 -6.825 -7.019 7.308 769 HA ASP 98 HA ASP 98 -4.614 -5.810 8.471 770 HB2 ASP 98 HB2 ASP 98 -7.050 -6.524 9.372 771 HB3 ASP 98 HB1 ASP 98 -6.075 -7.778 10.134 772 H ASN 99 HN ASN 99 -5.010 -9.077 7.439 773 HA ASN 99 HA ASN 99 -2.858 -10.075 9.106 774 HB2 ASN 99 HB2 ASN 99 -4.807 -11.273 7.198 775 HB3 ASN 99 HB1 ASN 99 -3.296 -12.133 7.476 776 HD21 ASN 99 HD21 ASN 99 -5.906 -13.030 8.155 777 HD22 ASN 99 HD22 ASN 99 -5.960 -13.215 9.871 778 H ILE 100 HN ILE 100 -3.422 -9.875 5.581 779 HA ILE 100 HA ILE 100 -0.822 -10.591 4.853 780 HB ILE 100 HB ILE 100 -2.726 -10.584 3.284 781 HG12 ILE 100 HG12 ILE 100 -0.259 -9.019 2.525 782 HG13 ILE 100 HG11 ILE 100 -0.532 -10.749 2.348 783 HG21 ILE 100 HG21 ILE 100 -3.885 -8.764 2.697 784 HG22 ILE 100 HG22 ILE 100 -2.437 -7.767 2.566 785 HG23 ILE 100 HG23 ILE 100 -3.182 -8.037 4.142 786 HD11 ILE 100 HD11 ILE 100 -2.052 -8.615 0.866 787 HD12 ILE 100 HD12 ILE 100 -2.157 -10.361 0.620 788 HD13 ILE 100 HD13 ILE 100 -0.667 -9.503 0.226 789 H LYS 101 HN LYS 101 -2.175 -7.421 5.646 790 HA LYS 101 HA LYS 101 0.022 -5.893 4.736 791 HB2 LYS 101 HB2 LYS 101 -2.177 -4.902 5.277 792 HB3 LYS 101 HB1 LYS 101 -1.901 -5.247 6.980 793 HG2 LYS 101 HG2 LYS 101 0.178 -3.681 5.587 794 HG3 LYS 101 HG1 LYS 101 -1.366 -2.880 5.865 795 HD2 LYS 101 HD2 LYS 101 0.136 -4.302 8.052 796 HD3 LYS 101 HD1 LYS 101 0.415 -2.605 7.664 797 HE2 LYS 101 HE2 LYS 101 -1.747 -1.981 8.310 798 HE3 LYS 101 HE1 LYS 101 -2.339 -3.642 8.235 799 HZ1 LYS 101 HZ1 LYS 101 -1.689 -2.434 10.499 800 HZ2 LYS 101 HZ2 LYS 101 -0.192 -3.127 10.127 801 HZ3 LYS 101 HZ3 LYS 101 -1.561 -4.107 10.283 802 H MET 102 HN MET 102 -0.781 -7.310 7.865 803 HA MET 102 HA MET 102 1.197 -6.319 9.476 804 HB2 MET 102 HB2 MET 102 -0.674 -8.231 9.787 805 HB3 MET 102 HB1 MET 102 0.758 -9.245 9.681 806 HG2 MET 102 HG2 MET 102 1.747 -8.191 11.564 807 HG3 MET 102 HG1 MET 102 0.512 -6.933 11.582 808 HE1 MET 102 HE1 MET 102 -2.164 -8.218 13.766 809 HE2 MET 102 HE2 MET 102 -2.138 -7.512 12.150 810 HE3 MET 102 HE3 MET 102 -1.049 -6.902 13.396 811 H THR 103 HN THR 103 1.476 -8.716 6.952 812 HA THR 103 HA THR 103 4.147 -9.517 7.593 813 HB THR 103 HB THR 103 2.528 -9.819 5.057 814 HG1 THR 103 HG1 THR 103 1.600 -11.021 6.630 815 HG21 THR 103 HG21 THR 103 4.539 -11.832 5.452 816 HG22 THR 103 HG22 THR 103 5.267 -10.230 5.331 817 HG23 THR 103 HG23 THR 103 4.217 -10.821 4.043 818 H LEU 104 HN LEU 104 2.684 -7.163 5.413 819 HA LEU 104 HA LEU 104 5.177 -6.427 4.193 820 HB2 LEU 104 HB2 LEU 104 2.376 -5.380 4.089 821 HB3 LEU 104 HB1 LEU 104 3.690 -4.415 3.444 822 HG LEU 104 HG LEU 104 4.077 -6.927 2.311 823 HD11 LEU 104 HD11 LEU 104 1.153 -6.209 2.196 824 HD12 LEU 104 HD12 LEU 104 1.835 -7.571 3.085 825 HD13 LEU 104 HD13 LEU 104 1.951 -7.520 1.326 826 HD21 LEU 104 HD21 LEU 104 2.567 -4.687 0.997 827 HD22 LEU 104 HD22 LEU 104 3.704 -5.823 0.272 828 HD23 LEU 104 HD23 LEU 104 4.287 -4.569 1.366 829 H GLN 105 HN GLN 105 2.932 -4.782 6.418 830 HA GLN 105 HA GLN 105 4.207 -2.442 6.899 831 HB2 GLN 105 HB2 GLN 105 2.122 -3.712 8.055 832 HB3 GLN 105 HB1 GLN 105 3.303 -3.824 9.353 833 HG2 GLN 105 HG2 GLN 105 3.596 -1.250 8.800 834 HG3 GLN 105 HG1 GLN 105 1.945 -1.450 8.217 835 HE21 GLN 105 HE21 GLN 105 0.565 -0.780 9.685 836 HE22 GLN 105 HE22 GLN 105 0.666 -1.059 11.387 837 H GLN 106 HN GLN 106 4.981 -5.541 8.443 838 HA GLN 106 HA GLN 106 7.025 -4.552 10.111 839 HB2 GLN 106 HB2 GLN 106 6.428 -7.300 9.029 840 HB3 GLN 106 HB1 GLN 106 7.784 -6.993 10.106 841 HG2 GLN 106 HG2 GLN 106 6.122 -6.027 11.732 842 HG3 GLN 106 HG1 GLN 106 4.856 -6.667 10.686 843 HE21 GLN 106 HE21 GLN 106 4.429 -7.740 12.843 844 HE22 GLN 106 HE22 GLN 106 5.163 -9.283 13.095 845 H ILE 107 HN ILE 107 7.164 -6.122 6.917 846 HA ILE 107 HA ILE 107 9.922 -6.119 6.630 847 HB ILE 107 HB ILE 107 7.620 -6.566 4.934 848 HG12 ILE 107 HG12 ILE 107 10.473 -7.515 4.725 849 HG13 ILE 107 HG11 ILE 107 9.261 -8.215 5.796 850 HG21 ILE 107 HG21 ILE 107 8.253 -4.763 3.560 851 HG22 ILE 107 HG22 ILE 107 8.894 -6.206 2.777 852 HG23 ILE 107 HG23 ILE 107 9.968 -5.154 3.698 853 HD11 ILE 107 HD11 ILE 107 7.908 -8.847 3.873 854 HD12 ILE 107 HD12 ILE 107 9.530 -9.532 3.764 855 HD13 ILE 107 HD13 ILE 107 9.099 -8.126 2.791 856 H ILE 108 HN ILE 108 7.646 -3.739 5.201 857 HA ILE 108 HA ILE 108 9.648 -2.000 4.306 858 HB ILE 108 HB ILE 108 6.995 -0.949 5.213 859 HG12 ILE 108 HG12 ILE 108 7.531 -2.631 2.757 860 HG13 ILE 108 HG11 ILE 108 6.484 -3.052 4.108 861 HG21 ILE 108 HG21 ILE 108 7.653 -0.058 2.654 862 HG22 ILE 108 HG22 ILE 108 9.178 -0.075 3.542 863 HG23 ILE 108 HG23 ILE 108 7.804 0.838 4.166 864 HD11 ILE 108 HD11 ILE 108 4.874 -2.299 2.788 865 HD12 ILE 108 HD12 ILE 108 5.979 -1.352 1.793 866 HD13 ILE 108 HD13 ILE 108 5.404 -0.709 3.331 867 H SER 109 HN SER 109 8.231 -2.470 7.409 868 HA SER 109 HA SER 109 9.082 -0.028 8.591 869 HB2 SER 109 HB2 SER 109 7.293 -1.234 9.638 870 HB3 SER 109 HB1 SER 109 8.269 -2.696 9.756 871 HG SER 109 HG SER 109 8.047 -1.318 11.711 872 H ARG 110 HN ARG 110 10.600 -3.033 7.834 873 HA ARG 110 HA ARG 110 12.920 -2.374 9.499 874 HB2 ARG 110 HB2 ARG 110 13.409 -4.595 9.619 875 HB3 ARG 110 HB1 ARG 110 11.691 -4.746 9.290 876 HG2 ARG 110 HG2 ARG 110 12.160 -5.116 6.930 877 HG3 ARG 110 HG1 ARG 110 13.887 -4.921 7.234 878 HD2 ARG 110 HD2 ARG 110 13.351 -6.824 9.031 879 HD3 ARG 110 HD1 ARG 110 12.084 -7.186 7.860 880 HE ARG 110 HE ARG 110 14.683 -6.867 6.678 881 HH11 ARG 110 HH11 ARG 110 12.511 -9.112 8.235 882 HH12 ARG 110 HH12 ARG 110 13.247 -10.510 7.525 883 HH21 ARG 110 HH21 ARG 110 15.652 -8.704 5.744 884 HH22 ARG 110 HH22 ARG 110 15.030 -10.278 6.111 885 H TYR 111 HN TYR 111 12.037 -3.255 6.163 886 HA TYR 111 HA TYR 111 14.575 -2.957 5.027 887 HB2 TYR 111 HB2 TYR 111 11.784 -2.762 3.936 888 HB3 TYR 111 HB1 TYR 111 13.162 -2.391 2.908 889 HD1 TYR 111 HD2 TYR 111 14.079 -4.878 5.253 890 HD2 TYR 111 HD1 TYR 111 11.955 -4.317 1.607 891 HE1 TYR 111 HE2 TYR 111 14.334 -7.268 4.740 892 HE2 TYR 111 HE1 TYR 111 12.203 -6.705 1.087 893 HH TYR 111 HH TYR 111 13.693 -8.573 1.678 894 H LYS 112 HN LYS 112 12.188 -0.601 5.948 895 HA LYS 112 HA LYS 112 13.027 1.593 4.440 896 HB2 LYS 112 HB2 LYS 112 11.528 1.188 6.965 897 HB3 LYS 112 HB1 LYS 112 12.193 2.792 6.698 898 HG2 LYS 112 HG2 LYS 112 10.738 1.611 4.426 899 HG3 LYS 112 HG1 LYS 112 9.770 2.010 5.848 900 HD2 LYS 112 HD2 LYS 112 11.607 3.889 4.364 901 HD3 LYS 112 HD1 LYS 112 9.844 3.881 4.279 902 HE2 LYS 112 HE2 LYS 112 10.681 3.997 7.018 903 HE3 LYS 112 HE1 LYS 112 11.489 5.266 6.098 904 HZ1 LYS 112 HZ1 LYS 112 9.061 5.536 7.125 905 HZ2 LYS 112 HZ2 LYS 112 8.643 4.936 5.600 906 HZ3 LYS 112 HZ3 LYS 112 9.564 6.349 5.729 907 H ASP 113 HN ASP 113 13.963 0.641 7.732 908 HA ASP 113 HA ASP 113 15.934 2.668 7.982 909 HB2 ASP 113 HB2 ASP 113 15.044 0.347 9.605 910 HB3 ASP 113 HB1 ASP 113 16.637 1.018 9.943 911 H ALA 114 HN ALA 114 15.988 0.034 6.064 912 HA ALA 114 HA ALA 114 18.889 -0.333 6.386 913 HB1 ALA 114 HB1 ALA 114 16.995 -2.239 6.574 914 HB2 ALA 114 HB2 ALA 114 18.659 -2.543 6.070 915 HB3 ALA 114 HB3 ALA 114 17.392 -2.344 4.859 916 H ASP 115 HN ASP 115 16.281 0.333 4.156 917 HA ASP 115 HA ASP 115 17.637 0.055 1.729 918 HB2 ASP 115 HB2 ASP 115 15.114 1.010 2.594 919 HB3 ASP 115 HB1 ASP 115 15.818 2.274 1.590 920 H2 PRO 59 HT1 PRO 59 -28.637 -3.278 5.086 921 H3 PRO 59 HT2 PRO 59 -28.596 -4.852 4.610 922 HA PRO 59 HA PRO 59 -29.004 -4.451 2.611 923 HB2 PRO 59 HB2 PRO 59 -30.676 -2.171 2.474 924 HB3 PRO 59 HB1 PRO 59 -31.137 -3.859 2.219 925 HG2 PRO 59 HG2 PRO 59 -31.349 -2.188 4.667 926 HG3 PRO 59 HG1 PRO 59 -32.398 -3.502 4.105 927 HD2 PRO 59 HD2 PRO 59 -30.716 -3.884 6.138 928 HD3 PRO 59 HD1 PRO 59 -30.973 -5.157 4.929 929 H GLY 60 HN GLY 60 -27.963 -3.163 1.084 930 HA2 GLY 60 HA2 GLY 60 -26.540 -1.541 0.297 931 HA3 GLY 60 HA1 GLY 60 -27.234 -0.462 1.499 932 H GLU 61 HN GLU 61 -25.158 -3.366 1.520 933 HA GLU 61 HA GLU 61 -23.533 -2.107 3.605 934 HB2 GLU 61 HB2 GLU 61 -24.506 -4.613 3.499 935 HB3 GLU 61 HB1 GLU 61 -22.956 -4.876 2.711 936 HG2 GLU 61 HG2 GLU 61 -23.427 -3.766 5.466 937 HG3 GLU 61 HG1 GLU 61 -22.735 -5.333 5.048 938 H GLU 62 HN GLU 62 -23.336 -1.129 0.935 939 HA GLU 62 HA GLU 62 -20.551 -1.876 0.333 940 HB2 GLU 62 HB2 GLU 62 -22.033 -2.753 -1.406 941 HB3 GLU 62 HB1 GLU 62 -22.717 -1.152 -1.649 942 HG2 GLU 62 HG2 GLU 62 -20.842 -0.361 -2.718 943 HG3 GLU 62 HG1 GLU 62 -19.782 -1.554 -1.969 944 H GLU 63 HN GLU 63 -19.140 -0.245 0.332 945 HA GLU 63 HA GLU 63 -20.184 2.501 0.124 946 HB2 GLU 63 HB2 GLU 63 -18.128 3.019 1.664 947 HB3 GLU 63 HB1 GLU 63 -19.640 2.463 2.363 948 HG2 GLU 63 HG2 GLU 63 -17.653 0.399 1.623 949 HG3 GLU 63 HG1 GLU 63 -17.282 1.425 3.009 950 H ASP 64 HN ASP 64 -19.500 1.608 -2.181 951 HA ASP 64 HA ASP 64 -16.654 2.022 -2.665 952 HB2 ASP 64 HB2 ASP 64 -17.145 1.278 -4.956 953 HB3 ASP 64 HB1 ASP 64 -17.742 0.121 -3.769 954 H ASP 65 HN ASP 65 -17.539 4.334 -1.789 955 HA ASP 65 HA ASP 65 -17.092 6.121 -3.917 956 HB2 ASP 65 HB2 ASP 65 -19.661 5.281 -4.008 957 HB3 ASP 65 HB1 ASP 65 -19.826 6.647 -2.909 958 H GLU 66 HN GLU 66 -15.620 7.039 -2.549 959 HA GLU 66 HA GLU 66 -14.771 8.203 -0.778 960 HB2 GLU 66 HB2 GLU 66 -15.825 10.324 -0.403 961 HB3 GLU 66 HB1 GLU 66 -15.995 9.921 -2.104 962 HG2 GLU 66 HG2 GLU 66 -18.211 9.171 -0.282 963 HG3 GLU 66 HG1 GLU 66 -17.995 10.877 -0.664 964 H ARG 67 HN ARG 67 -16.062 5.855 0.076 965 HA ARG 67 HA ARG 67 -16.760 6.653 2.768 966 HB2 ARG 67 HB2 ARG 67 -18.473 4.931 1.001 967 HB3 ARG 67 HB1 ARG 67 -18.594 4.878 2.754 968 HG2 ARG 67 HG2 ARG 67 -19.655 6.863 2.877 969 HG3 ARG 67 HG1 ARG 67 -18.752 7.554 1.528 970 HD2 ARG 67 HD2 ARG 67 -20.095 6.183 -0.026 971 HD3 ARG 67 HD1 ARG 67 -21.034 5.591 1.344 972 HE ARG 67 HE ARG 67 -21.273 8.275 1.552 973 HH11 ARG 67 HH11 ARG 67 -21.793 6.036 -1.074 974 HH12 ARG 67 HH12 ARG 67 -23.032 6.995 -1.812 975 HH21 ARG 67 HH21 ARG 67 -22.902 9.537 0.583 976 HH22 ARG 67 HH22 ARG 67 -23.661 8.983 -0.872 977 H GLY 68 HN GLY 68 -16.346 3.872 0.659 978 HA2 GLY 68 HA2 GLY 68 -15.076 2.415 2.827 979 HA3 GLY 68 HA1 GLY 68 -15.621 1.714 1.316 980 H ALA 69 HN ALA 69 -13.802 4.672 1.282 981 HA ALA 69 HA ALA 69 -11.251 3.382 0.922 982 HB1 ALA 69 HB1 ALA 69 -10.899 3.852 -1.357 983 HB2 ALA 69 HB2 ALA 69 -12.356 4.842 -1.458 984 HB3 ALA 69 HB3 ALA 69 -12.489 3.093 -1.268 985 H ASP 70 HN ASP 70 -12.037 5.313 2.773 986 HA ASP 70 HA ASP 70 -10.164 7.412 2.117 987 HB2 ASP 70 HB2 ASP 70 -12.289 8.218 1.145 988 HB3 ASP 70 HB1 ASP 70 -13.031 8.129 2.739 989 H ALA 71 HN ALA 71 -9.712 5.616 4.019 990 HA ALA 71 HA ALA 71 -9.726 7.224 6.432 991 HB1 ALA 71 HB1 ALA 71 -11.807 6.095 6.757 992 HB2 ALA 71 HB2 ALA 71 -10.622 5.369 7.843 993 HB3 ALA 71 HB3 ALA 71 -11.086 4.540 6.353 994 H THR 72 HN THR 72 -7.916 5.749 4.386 995 HA THR 72 HA THR 72 -6.262 4.351 6.365 996 HB THR 72 HB THR 72 -5.361 4.140 3.604 997 HG1 THR 72 HG1 THR 72 -7.134 2.644 3.127 998 HG21 THR 72 HG21 THR 72 -5.409 1.737 4.080 999 HG22 THR 72 HG22 THR 72 -6.141 2.081 5.646 1000 HG23 THR 72 HG23 THR 72 -4.512 2.653 5.290 1001 H TRP 73 HN TRP 73 -6.603 7.250 4.769 1002 HA TRP 73 HA TRP 73 -3.816 7.879 4.405 1003 HB2 TRP 73 HB2 TRP 73 -5.974 9.963 4.540 1004 HB3 TRP 73 HB1 TRP 73 -4.549 9.901 3.503 1005 HD1 TRP 73 HD1 TRP 73 -7.651 10.280 2.489 1006 HE1 TRP 73 HE1 TRP 73 -8.538 8.653 0.699 1007 HE3 TRP 73 HE3 TRP 73 -4.298 6.520 3.112 1008 HZ2 TRP 73 HZ2 TRP 73 -7.873 6.076 -0.305 1009 HZ3 TRP 73 HZ3 TRP 73 -4.463 4.516 1.714 1010 HH2 TRP 73 HH2 TRP 73 -6.215 4.300 0.049 1011 H ASP 74 HN ASP 74 -4.023 6.914 6.811 1012 HA ASP 74 HA ASP 74 -3.020 8.900 8.537 1013 HB2 ASP 74 HB2 ASP 74 -5.596 9.273 8.540 1014 HB3 ASP 74 HB1 ASP 74 -5.676 7.760 9.434 1015 H LEU 75 HN LEU 75 -2.336 6.354 7.460 1016 HA LEU 75 HA LEU 75 -2.433 4.552 9.770 1017 HB2 LEU 75 HB2 LEU 75 -2.454 4.210 6.868 1018 HB3 LEU 75 HB1 LEU 75 -1.362 3.116 7.689 1019 HG LEU 75 HG LEU 75 -3.359 1.940 7.444 1020 HD11 LEU 75 HD11 LEU 75 -4.190 2.571 10.096 1021 HD12 LEU 75 HD12 LEU 75 -2.430 2.629 10.007 1022 HD13 LEU 75 HD13 LEU 75 -3.289 1.171 9.510 1023 HD21 LEU 75 HD21 LEU 75 -5.221 3.699 8.813 1024 HD22 LEU 75 HD22 LEU 75 -5.387 2.840 7.281 1025 HD23 LEU 75 HD23 LEU 75 -4.577 4.404 7.330 1026 H ASP 76 HN ASP 76 -0.111 4.385 7.181 1027 HA ASP 76 HA ASP 76 2.066 4.018 8.926 1028 HB2 ASP 76 HB2 ASP 76 1.624 3.390 6.358 1029 HB3 ASP 76 HB1 ASP 76 2.592 4.841 6.121 1030 H LEU 77 HN LEU 77 3.961 5.673 7.271 1031 HA LEU 77 HA LEU 77 4.990 7.688 7.353 1032 HB2 LEU 77 HB2 LEU 77 2.117 8.478 7.618 1033 HB3 LEU 77 HB1 LEU 77 3.373 9.688 7.820 1034 HG LEU 77 HG LEU 77 4.194 8.583 5.508 1035 HD11 LEU 77 HD11 LEU 77 2.629 7.121 4.829 1036 HD12 LEU 77 HD12 LEU 77 1.793 8.577 4.284 1037 HD13 LEU 77 HD13 LEU 77 1.367 7.842 5.830 1038 HD21 LEU 77 HD21 LEU 77 3.166 10.479 4.392 1039 HD22 LEU 77 HD22 LEU 77 3.821 10.956 5.958 1040 HD23 LEU 77 HD23 LEU 77 2.084 10.719 5.764 1041 H LEU 78 HN LEU 78 5.424 6.251 9.512 1042 HA LEU 78 HA LEU 78 6.194 8.049 11.472 1043 HB2 LEU 78 HB2 LEU 78 4.621 7.364 13.317 1044 HB3 LEU 78 HB1 LEU 78 3.950 8.428 12.097 1045 HG LEU 78 HG LEU 78 3.100 6.206 11.012 1046 HD11 LEU 78 HD11 LEU 78 3.705 5.399 13.841 1047 HD12 LEU 78 HD12 LEU 78 4.166 4.587 12.345 1048 HD13 LEU 78 HD13 LEU 78 2.481 4.589 12.864 1049 HD21 LEU 78 HD21 LEU 78 1.060 6.768 11.796 1050 HD22 LEU 78 HD22 LEU 78 1.930 8.162 12.435 1051 HD23 LEU 78 HD23 LEU 78 1.589 6.781 13.478 1052 H LEU 79 HN LEU 79 7.268 5.818 10.138 1053 HA LEU 79 HA LEU 79 7.758 4.007 12.409 1054 HB2 LEU 79 HB2 LEU 79 7.621 3.290 9.480 1055 HB3 LEU 79 HB1 LEU 79 8.126 2.196 10.754 1056 HG LEU 79 HG LEU 79 5.413 3.482 10.809 1057 HD11 LEU 79 HD11 LEU 79 5.780 0.743 9.706 1058 HD12 LEU 79 HD12 LEU 79 6.035 2.129 8.645 1059 HD13 LEU 79 HD13 LEU 79 4.478 1.904 9.442 1060 HD21 LEU 79 HD21 LEU 79 5.132 1.057 11.900 1061 HD22 LEU 79 HD22 LEU 79 5.623 2.476 12.825 1062 HD23 LEU 79 HD23 LEU 79 6.838 1.332 12.253 1063 H THR 80 HN THR 80 9.847 2.625 11.793 1064 HA THR 80 HA THR 80 12.123 2.698 11.805 1065 HB THR 80 HB THR 80 13.119 3.843 9.756 1066 HG1 THR 80 HG1 THR 80 11.874 5.062 8.616 1067 HG21 THR 80 HG21 THR 80 11.909 1.429 9.954 1068 HG22 THR 80 HG22 THR 80 12.756 2.014 8.523 1069 HG23 THR 80 HG23 THR 80 11.002 2.166 8.634 1070 H ASN 81 HN ASN 81 14.083 4.391 11.397 1071 HA ASN 81 HA ASN 81 13.572 6.497 13.345 1072 HB2 ASN 81 HB2 ASN 81 16.092 5.298 12.205 1073 HB3 ASN 81 HB1 ASN 81 16.116 6.750 13.201 1074 HD21 ASN 81 HD21 ASN 81 14.545 6.387 15.211 1075 HD22 ASN 81 HD22 ASN 81 14.917 4.963 16.115 1076 H PHE 82 HN PHE 82 15.749 6.480 10.537 1077 HA PHE 82 HA PHE 82 14.352 8.594 9.206 1078 HB2 PHE 82 HB2 PHE 82 15.883 9.510 11.241 1079 HB3 PHE 82 HB1 PHE 82 17.072 9.498 9.944 1080 HD1 PHE 82 HD2 PHE 82 13.666 10.717 10.788 1081 HD2 PHE 82 HD1 PHE 82 17.168 11.251 8.430 1082 HE1 PHE 82 HE2 PHE 82 12.779 12.858 9.963 1083 HE2 PHE 82 HE1 PHE 82 16.288 13.394 7.601 1084 HZ PHE 82 HZ PHE 82 14.090 14.200 8.367 1085 H SER 83 HN SER 83 17.479 6.964 9.609 1086 HA SER 83 HA SER 83 18.932 6.058 8.113 1087 HB2 SER 83 HB2 SER 83 16.534 5.140 7.347 1088 HB3 SER 83 HB1 SER 83 16.938 6.068 5.903 1089 HG SER 83 HG SER 83 17.677 3.703 6.252 1090 H GLY 84 HN GLY 84 20.049 8.122 8.136 1091 HA2 GLY 84 HA2 GLY 84 19.880 9.467 5.511 1092 HA3 GLY 84 HA1 GLY 84 20.101 10.374 6.999 1093 HA PRO 85 HA PRO 85 24.145 7.657 5.955 1094 HB2 PRO 85 HB2 PRO 85 23.918 8.215 3.035 1095 HB3 PRO 85 HB1 PRO 85 24.572 6.797 3.862 1096 HG2 PRO 85 HG2 PRO 85 22.178 6.704 2.705 1097 HG3 PRO 85 HG1 PRO 85 22.472 5.892 4.254 1098 HD2 PRO 85 HD2 PRO 85 21.023 8.440 3.692 1099 HD3 PRO 85 HD1 PRO 85 20.688 7.194 4.911 Start of MODEL 10 1 H2 PRO 1 HT1 PRO 1 3.236 -15.534 6.860 2 H3 PRO 1 HT2 PRO 1 4.736 -15.775 7.491 3 HA PRO 1 HA PRO 1 5.284 -15.177 5.559 4 HB2 PRO 1 HB2 PRO 1 5.301 -17.605 4.246 5 HB3 PRO 1 HB1 PRO 1 6.479 -17.106 5.468 6 HG2 PRO 1 HG2 PRO 1 4.515 -19.163 5.689 7 HG3 PRO 1 HG1 PRO 1 5.632 -18.595 6.940 8 HD2 PRO 1 HD2 PRO 1 2.778 -17.854 6.466 9 HD3 PRO 1 HD1 PRO 1 3.680 -17.951 7.992 10 H SER 2 HN SER 2 2.440 -14.782 5.685 11 HA SER 2 HA SER 2 1.362 -15.724 3.166 12 HB2 SER 2 HB2 SER 2 0.180 -15.149 5.547 13 HB3 SER 2 HB1 SER 2 -0.123 -13.654 4.662 14 HG SER 2 HG SER 2 -1.528 -15.789 4.486 15 H HIS 3 HN HIS 3 1.974 -14.746 1.358 16 HA HIS 3 HA HIS 3 2.294 -11.818 1.381 17 HB2 HIS 3 HB2 HIS 3 3.690 -13.902 -0.302 18 HB3 HIS 3 HB1 HIS 3 3.802 -12.172 -0.601 19 HD1 HIS 3 HD1 HIS 3 4.139 -14.151 2.636 20 HD2 HIS 3 HD2 HIS 3 6.249 -11.450 0.287 21 HE1 HIS 3 HE1 HIS 3 6.251 -13.660 3.909 22 HE2 HIS 3 HE2 HIS 3 7.471 -11.957 2.510 23 H SER 4 HN SER 4 0.960 -14.569 -0.291 24 HA SER 4 HA SER 4 -0.206 -12.880 -2.347 25 HB2 SER 4 HB2 SER 4 -0.701 -15.832 -1.954 26 HB3 SER 4 HB1 SER 4 -0.944 -14.876 -3.419 27 HG SER 4 HG SER 4 1.023 -16.165 -3.358 28 H GLY 5 HN GLY 5 -2.219 -12.181 -2.398 29 HA2 GLY 5 HA2 GLY 5 -4.331 -13.386 -0.849 30 HA3 GLY 5 HA1 GLY 5 -3.818 -11.811 -0.251 31 H ALA 6 HN ALA 6 -6.302 -11.705 -0.923 32 HA ALA 6 HA ALA 6 -6.414 -10.855 -3.735 33 HB1 ALA 6 HB1 ALA 6 -8.053 -12.512 -3.331 34 HB2 ALA 6 HB2 ALA 6 -8.907 -10.970 -3.409 35 HB3 ALA 6 HB3 ALA 6 -8.588 -11.723 -1.846 36 H ALA 7 HN ALA 7 -7.069 -8.844 -4.305 37 HA ALA 7 HA ALA 7 -7.996 -6.965 -2.311 38 HB1 ALA 7 HB1 ALA 7 -6.204 -5.531 -2.267 39 HB2 ALA 7 HB2 ALA 7 -5.579 -6.096 -3.816 40 HB3 ALA 7 HB3 ALA 7 -5.380 -7.087 -2.371 41 H ILE 8 HN ILE 8 -8.740 -4.947 -3.231 42 HA ILE 8 HA ILE 8 -9.108 -5.095 -6.146 43 HB ILE 8 HB ILE 8 -11.224 -4.356 -4.125 44 HG12 ILE 8 HG12 ILE 8 -11.560 -6.503 -6.152 45 HG13 ILE 8 HG11 ILE 8 -10.502 -6.842 -4.785 46 HG21 ILE 8 HG21 ILE 8 -11.870 -3.003 -5.833 47 HG22 ILE 8 HG22 ILE 8 -12.530 -4.509 -6.471 48 HG23 ILE 8 HG23 ILE 8 -10.965 -3.922 -7.035 49 HD11 ILE 8 HD11 ILE 8 -12.476 -7.595 -3.952 50 HD12 ILE 8 HD12 ILE 8 -13.434 -6.425 -4.859 51 HD13 ILE 8 HD13 ILE 8 -12.554 -5.916 -3.418 52 H PHE 9 HN PHE 9 -9.125 -3.207 -7.261 53 HA PHE 9 HA PHE 9 -8.916 -0.681 -5.824 54 HB2 PHE 9 HB2 PHE 9 -6.598 -1.407 -5.995 55 HB3 PHE 9 HB1 PHE 9 -6.788 -1.691 -7.723 56 HD1 PHE 9 HD1 PHE 9 -7.156 0.230 -9.242 57 HD2 PHE 9 HD2 PHE 9 -6.113 0.739 -5.151 58 HE1 PHE 9 HE1 PHE 9 -6.461 2.548 -9.711 59 HE2 PHE 9 HE2 PHE 9 -5.420 3.055 -5.605 60 HZ PHE 9 HZ PHE 9 -5.593 3.963 -7.890 61 H GLU 10 HN GLU 10 -9.592 1.087 -7.013 62 HA GLU 10 HA GLU 10 -10.937 2.133 -8.520 63 HB2 GLU 10 HB2 GLU 10 -8.703 0.947 -10.009 64 HB3 GLU 10 HB1 GLU 10 -10.091 1.364 -11.003 65 HG2 GLU 10 HG2 GLU 10 -10.037 3.639 -10.122 66 HG3 GLU 10 HG1 GLU 10 -8.629 3.220 -9.146 67 H LYS 11 HN LYS 11 -11.984 -0.308 -7.537 68 HA LYS 11 HA LYS 11 -13.815 -1.611 -7.859 69 HB2 LYS 11 HB2 LYS 11 -14.287 -0.575 -10.615 70 HB3 LYS 11 HB1 LYS 11 -15.442 -0.936 -9.341 71 HG2 LYS 11 HG2 LYS 11 -14.370 1.107 -8.147 72 HG3 LYS 11 HG1 LYS 11 -13.799 1.522 -9.765 73 HD2 LYS 11 HD2 LYS 11 -16.660 0.792 -9.472 74 HD3 LYS 11 HD1 LYS 11 -16.150 2.349 -8.817 75 HE2 LYS 11 HE2 LYS 11 -15.517 1.458 -11.621 76 HE3 LYS 11 HE1 LYS 11 -16.973 2.361 -11.208 77 HZ1 LYS 11 HZ1 LYS 11 -15.235 3.950 -10.103 78 HZ2 LYS 11 HZ2 LYS 11 -15.567 4.050 -11.759 79 HZ3 LYS 11 HZ3 LYS 11 -14.180 3.245 -11.223 80 H VAL 12 HN VAL 12 -11.028 -2.172 -9.094 81 HA VAL 12 HA VAL 12 -11.925 -4.364 -10.854 82 HB VAL 12 HB VAL 12 -9.187 -3.086 -10.850 83 HG11 VAL 12 HG11 VAL 12 -8.574 -4.580 -12.426 84 HG12 VAL 12 HG12 VAL 12 -10.175 -4.622 -13.163 85 HG13 VAL 12 HG13 VAL 12 -9.852 -5.555 -11.702 86 HG21 VAL 12 HG21 VAL 12 -9.770 -1.794 -12.699 87 HG22 VAL 12 HG22 VAL 12 -11.172 -1.644 -11.639 88 HG23 VAL 12 HG23 VAL 12 -11.225 -2.738 -13.021 89 H SER 13 HN SER 13 -11.712 -6.325 -9.975 90 HA SER 13 HA SER 13 -10.110 -6.606 -7.577 91 HB2 SER 13 HB2 SER 13 -11.144 -8.805 -7.349 92 HB3 SER 13 HB1 SER 13 -12.371 -7.567 -7.620 93 HG SER 13 HG SER 13 -12.425 -9.644 -8.900 94 H GLY 14 HN GLY 14 -8.585 -8.204 -7.232 95 HA2 GLY 14 HA2 GLY 14 -7.509 -9.828 -9.315 96 HA3 GLY 14 HA1 GLY 14 -6.541 -8.381 -9.060 97 H ILE 15 HN ILE 15 -5.074 -10.416 -8.578 98 HA ILE 15 HA ILE 15 -5.322 -11.061 -5.716 99 HB ILE 15 HB ILE 15 -3.404 -12.464 -7.550 100 HG12 ILE 15 HG12 ILE 15 -5.460 -14.210 -7.508 101 HG13 ILE 15 HG11 ILE 15 -6.362 -12.698 -7.516 102 HG21 ILE 15 HG21 ILE 15 -4.683 -12.983 -4.903 103 HG22 ILE 15 HG22 ILE 15 -2.988 -13.118 -5.379 104 HG23 ILE 15 HG23 ILE 15 -4.149 -14.345 -5.889 105 HD11 ILE 15 HD11 ILE 15 -5.959 -12.379 -9.671 106 HD12 ILE 15 HD12 ILE 15 -5.345 -14.032 -9.708 107 HD13 ILE 15 HD13 ILE 15 -4.233 -12.684 -9.470 108 H ILE 16 HN ILE 16 -3.862 -10.345 -4.341 109 HA ILE 16 HA ILE 16 -1.668 -8.710 -5.382 110 HB ILE 16 HB ILE 16 -3.255 -7.546 -3.971 111 HG12 ILE 16 HG12 ILE 16 -0.837 -7.923 -2.229 112 HG13 ILE 16 HG11 ILE 16 -0.708 -7.144 -3.805 113 HG21 ILE 16 HG21 ILE 16 -2.606 -9.621 -1.891 114 HG22 ILE 16 HG22 ILE 16 -4.155 -9.370 -2.699 115 HG23 ILE 16 HG23 ILE 16 -3.527 -8.148 -1.592 116 HD11 ILE 16 HD11 ILE 16 -1.937 -6.179 -1.304 117 HD12 ILE 16 HD12 ILE 16 -2.748 -5.746 -2.813 118 HD13 ILE 16 HD13 ILE 16 -1.059 -5.299 -2.557 119 H ALA 17 HN ALA 17 0.420 -9.429 -5.134 120 HA ALA 17 HA ALA 17 0.965 -11.292 -2.919 121 HB1 ALA 17 HB1 ALA 17 0.582 -12.553 -5.040 122 HB2 ALA 17 HB2 ALA 17 2.166 -12.809 -4.308 123 HB3 ALA 17 HB3 ALA 17 2.003 -11.747 -5.706 124 H ILE 18 HN ILE 18 2.892 -11.048 -1.916 125 HA ILE 18 HA ILE 18 4.530 -8.766 -2.725 126 HB ILE 18 HB ILE 18 4.612 -10.430 -0.206 127 HG12 ILE 18 HG12 ILE 18 3.885 -7.577 -0.107 128 HG13 ILE 18 HG11 ILE 18 2.715 -8.610 -0.926 129 HG21 ILE 18 HG21 ILE 18 6.802 -9.489 -0.738 130 HG22 ILE 18 HG22 ILE 18 6.098 -8.702 0.675 131 HG23 ILE 18 HG23 ILE 18 6.082 -7.886 -0.889 132 HD11 ILE 18 HD11 ILE 18 3.788 -9.293 1.781 133 HD12 ILE 18 HD12 ILE 18 2.324 -9.875 0.990 134 HD13 ILE 18 HD13 ILE 18 2.413 -8.211 1.567 135 H ASN 19 HN ASN 19 6.693 -8.873 -3.146 136 HA ASN 19 HA ASN 19 7.863 -11.555 -3.509 137 HB2 ASN 19 HB2 ASN 19 7.703 -9.241 -5.372 138 HB3 ASN 19 HB1 ASN 19 9.186 -10.190 -5.379 139 HD21 ASN 19 HD21 ASN 19 9.097 -12.373 -5.976 140 HD22 ASN 19 HD22 ASN 19 7.773 -13.007 -6.888 141 H GLU 20 HN GLU 20 9.384 -11.815 -2.057 142 HA GLU 20 HA GLU 20 11.077 -9.525 -1.351 143 HB2 GLU 20 HB2 GLU 20 10.121 -11.906 0.148 144 HB3 GLU 20 HB1 GLU 20 11.749 -11.347 0.507 145 HG2 GLU 20 HG2 GLU 20 9.748 -9.219 0.438 146 HG3 GLU 20 HG1 GLU 20 9.472 -10.435 1.684 147 H ASP 21 HN ASP 21 11.274 -11.149 -3.733 148 HA ASP 21 HA ASP 21 13.806 -12.573 -3.330 149 HB2 ASP 21 HB2 ASP 21 11.642 -12.689 -5.375 150 HB3 ASP 21 HB1 ASP 21 13.281 -13.060 -5.903 151 H VAL 22 HN VAL 22 12.438 -9.705 -4.677 152 HA VAL 22 HA VAL 22 14.929 -9.096 -6.114 153 HB VAL 22 HB VAL 22 13.250 -6.926 -6.509 154 HG11 VAL 22 HG11 VAL 22 13.340 -9.307 -8.337 155 HG12 VAL 22 HG12 VAL 22 14.724 -8.239 -8.103 156 HG13 VAL 22 HG13 VAL 22 13.218 -7.599 -8.760 157 HG21 VAL 22 HG21 VAL 22 11.592 -9.443 -6.635 158 HG22 VAL 22 HG22 VAL 22 11.107 -7.855 -7.231 159 HG23 VAL 22 HG23 VAL 22 11.366 -8.109 -5.505 160 H SER 23 HN SER 23 15.715 -6.783 -5.912 161 HA SER 23 HA SER 23 16.535 -6.234 -3.346 162 HB2 SER 23 HB2 SER 23 16.414 -3.716 -4.566 163 HB3 SER 23 HB1 SER 23 17.787 -4.824 -4.555 164 HG SER 23 HG SER 23 17.412 -4.534 -6.665 165 HA PRO 24 HA PRO 24 13.032 -3.143 -2.528 166 HB2 PRO 24 HB2 PRO 24 11.318 -2.393 -4.436 167 HB3 PRO 24 HB1 PRO 24 12.928 -1.663 -4.312 168 HG2 PRO 24 HG2 PRO 24 11.953 -3.792 -6.174 169 HG3 PRO 24 HG1 PRO 24 13.024 -2.419 -6.508 170 HD2 PRO 24 HD2 PRO 24 13.896 -4.994 -6.065 171 HD3 PRO 24 HD1 PRO 24 14.878 -3.543 -5.789 172 H ALA 25 HN ALA 25 12.351 -5.133 -1.481 173 HA ALA 25 HA ALA 25 10.664 -7.069 -2.437 174 HB1 ALA 25 HB1 ALA 25 9.633 -6.645 0.076 175 HB2 ALA 25 HB2 ALA 25 11.273 -6.003 0.199 176 HB3 ALA 25 HB3 ALA 25 11.013 -7.669 -0.319 177 H GLU 26 HN GLU 26 9.128 -6.488 -3.829 178 HA GLU 26 HA GLU 26 7.059 -4.621 -2.882 179 HB2 GLU 26 HB2 GLU 26 6.676 -4.131 -5.314 180 HB3 GLU 26 HB1 GLU 26 8.215 -3.572 -4.654 181 HG2 GLU 26 HG2 GLU 26 9.414 -4.913 -5.991 182 HG3 GLU 26 HG1 GLU 26 8.283 -6.257 -5.837 183 H LEU 27 HN LEU 27 4.913 -4.939 -4.102 184 HA LEU 27 HA LEU 27 4.417 -7.791 -4.437 185 HB2 LEU 27 HB2 LEU 27 2.194 -7.446 -3.396 186 HB3 LEU 27 HB1 LEU 27 3.533 -7.189 -2.294 187 HG LEU 27 HG LEU 27 3.268 -4.697 -2.795 188 HD11 LEU 27 HD11 LEU 27 1.869 -4.231 -4.473 189 HD12 LEU 27 HD12 LEU 27 0.582 -4.533 -3.308 190 HD13 LEU 27 HD13 LEU 27 1.103 -5.817 -4.399 191 HD21 LEU 27 HD21 LEU 27 0.797 -5.648 -1.472 192 HD22 LEU 27 HD22 LEU 27 2.008 -4.490 -0.921 193 HD23 LEU 27 HD23 LEU 27 2.331 -6.221 -0.817 194 H THR 28 HN THR 28 2.992 -8.395 -6.046 195 HA THR 28 HA THR 28 2.236 -6.242 -7.859 196 HB THR 28 HB THR 28 2.028 -8.166 -9.480 197 HG1 THR 28 HG1 THR 28 2.203 -9.779 -7.763 198 HG21 THR 28 HG21 THR 28 4.596 -8.368 -9.646 199 HG22 THR 28 HG22 THR 28 4.556 -7.101 -8.418 200 HG23 THR 28 HG23 THR 28 3.776 -6.842 -9.980 201 H TRP 29 HN TRP 29 0.264 -6.227 -8.847 202 HA TRP 29 HA TRP 29 -1.798 -7.905 -7.567 203 HB2 TRP 29 HB2 TRP 29 -1.830 -5.570 -6.744 204 HB3 TRP 29 HB1 TRP 29 -2.085 -5.016 -8.398 205 HD1 TRP 29 HD1 TRP 29 -3.860 -6.867 -5.562 206 HE1 TRP 29 HE1 TRP 29 -6.385 -6.828 -6.019 207 HE3 TRP 29 HE3 TRP 29 -3.792 -4.816 -10.241 208 HZ2 TRP 29 HZ2 TRP 29 -8.124 -6.027 -8.085 209 HZ3 TRP 29 HZ3 TRP 29 -5.942 -4.451 -11.395 210 HH2 TRP 29 HH2 TRP 29 -8.060 -5.045 -10.337 211 H ARG 30 HN ARG 30 -2.489 -9.304 -9.087 212 HA ARG 30 HA ARG 30 -2.886 -8.284 -11.824 213 HB2 ARG 30 HB2 ARG 30 -2.869 -11.207 -11.192 214 HB3 ARG 30 HB1 ARG 30 -2.423 -10.387 -12.680 215 HG2 ARG 30 HG2 ARG 30 -0.308 -10.671 -12.082 216 HG3 ARG 30 HG1 ARG 30 -0.582 -9.466 -10.824 217 HD2 ARG 30 HD2 ARG 30 -0.226 -11.011 -9.271 218 HD3 ARG 30 HD1 ARG 30 -1.595 -11.939 -9.880 219 HE ARG 30 HE ARG 30 -0.130 -13.375 -10.902 220 HH11 ARG 30 HH11 ARG 30 1.589 -10.500 -9.925 221 HH12 ARG 30 HH12 ARG 30 3.149 -11.158 -10.286 222 HH21 ARG 30 HH21 ARG 30 1.921 -14.244 -11.378 223 HH22 ARG 30 HH22 ARG 30 3.338 -13.284 -11.111 224 H SER 31 HN SER 31 -4.906 -8.116 -12.597 225 HA SER 31 HA SER 31 -7.154 -8.493 -10.993 226 HB2 SER 31 HB2 SER 31 -8.414 -8.371 -13.235 227 HB3 SER 31 HB1 SER 31 -7.411 -6.992 -12.785 228 HG SER 31 HG SER 31 -6.469 -9.109 -14.411 229 H THR 32 HN THR 32 -8.958 -9.951 -11.268 230 HA THR 32 HA THR 32 -8.047 -12.679 -11.683 231 HB THR 32 HB THR 32 -10.766 -12.699 -10.972 232 HG1 THR 32 HG1 THR 32 -11.083 -10.993 -9.825 233 HG21 THR 32 HG21 THR 32 -9.029 -14.225 -10.124 234 HG22 THR 32 HG22 THR 32 -10.034 -13.537 -8.848 235 HG23 THR 32 HG23 THR 32 -8.406 -12.915 -9.122 236 H ASP 33 HN ASP 33 -9.963 -10.293 -13.253 237 HA ASP 33 HA ASP 33 -10.292 -11.993 -15.539 238 HB2 ASP 33 HB2 ASP 33 -12.267 -12.556 -14.125 239 HB3 ASP 33 HB1 ASP 33 -12.759 -10.867 -14.205 240 H GLY 34 HN GLY 34 -8.926 -9.522 -14.900 241 HA2 GLY 34 HA2 GLY 34 -10.335 -7.707 -16.759 242 HA3 GLY 34 HA1 GLY 34 -9.400 -7.129 -15.390 243 H ASP 35 HN ASP 35 -7.684 -9.680 -16.470 244 HA ASP 35 HA ASP 35 -5.716 -9.890 -17.575 245 HB2 ASP 35 HB2 ASP 35 -7.523 -9.500 -19.423 246 HB3 ASP 35 HB1 ASP 35 -6.693 -7.963 -19.644 247 H LYS 36 HN LYS 36 -6.121 -7.578 -15.698 248 HA LYS 36 HA LYS 36 -3.964 -5.848 -16.717 249 HB2 LYS 36 HB2 LYS 36 -4.824 -4.074 -15.289 250 HB3 LYS 36 HB1 LYS 36 -6.077 -4.638 -16.385 251 HG2 LYS 36 HG2 LYS 36 -6.110 -6.063 -13.864 252 HG3 LYS 36 HG1 LYS 36 -6.291 -4.322 -13.652 253 HD2 LYS 36 HD2 LYS 36 -7.894 -5.757 -15.730 254 HD3 LYS 36 HD1 LYS 36 -8.400 -5.796 -14.040 255 HE2 LYS 36 HE2 LYS 36 -8.436 -3.353 -13.993 256 HE3 LYS 36 HE1 LYS 36 -7.909 -3.308 -15.675 257 HZ1 LYS 36 HZ1 LYS 36 -10.291 -4.878 -15.141 258 HZ2 LYS 36 HZ2 LYS 36 -9.953 -3.824 -16.419 259 HZ3 LYS 36 HZ3 LYS 36 -10.458 -3.208 -14.927 260 H VAL 37 HN VAL 37 -2.506 -4.983 -15.078 261 HA VAL 37 HA VAL 37 -2.321 -6.511 -12.611 262 HB VAL 37 HB VAL 37 0.261 -6.287 -14.035 263 HG11 VAL 37 HG11 VAL 37 0.735 -7.494 -12.228 264 HG12 VAL 37 HG12 VAL 37 -0.063 -8.843 -13.037 265 HG13 VAL 37 HG13 VAL 37 -0.965 -7.832 -11.909 266 HG21 VAL 37 HG21 VAL 37 -1.773 -8.369 -14.839 267 HG22 VAL 37 HG22 VAL 37 -0.085 -8.316 -15.345 268 HG23 VAL 37 HG23 VAL 37 -1.197 -7.047 -15.854 269 H HIS 38 HN HIS 38 -1.316 -5.436 -10.967 270 HA HIS 38 HA HIS 38 -0.090 -2.844 -11.593 271 HB2 HIS 38 HB2 HIS 38 -2.543 -2.813 -10.662 272 HB3 HIS 38 HB1 HIS 38 -1.763 -3.171 -9.125 273 HD1 HIS 38 HD1 HIS 38 -1.552 -1.088 -7.826 274 HD2 HIS 38 HD2 HIS 38 -0.901 -0.442 -11.879 275 HE1 HIS 38 HE1 HIS 38 -0.993 1.354 -8.036 276 HE2 HIS 38 HE2 HIS 38 -0.522 1.705 -10.486 277 H THR 39 HN THR 39 1.948 -3.087 -11.046 278 HA THR 39 HA THR 39 2.694 -4.737 -8.728 279 HB THR 39 HB THR 39 4.526 -3.389 -10.729 280 HG1 THR 39 HG1 THR 39 3.247 -4.709 -11.943 281 HG21 THR 39 HG21 THR 39 5.596 -5.819 -9.993 282 HG22 THR 39 HG22 THR 39 4.950 -5.162 -8.489 283 HG23 THR 39 HG23 THR 39 6.109 -4.228 -9.434 284 H VAL 40 HN VAL 40 2.629 -3.564 -6.866 285 HA VAL 40 HA VAL 40 3.457 -0.759 -6.909 286 HB VAL 40 HB VAL 40 2.382 -2.316 -4.558 287 HG11 VAL 40 HG11 VAL 40 3.698 -0.099 -4.307 288 HG12 VAL 40 HG12 VAL 40 2.163 -0.285 -3.457 289 HG13 VAL 40 HG13 VAL 40 2.234 0.649 -4.950 290 HG21 VAL 40 HG21 VAL 40 0.896 -0.633 -6.574 291 HG22 VAL 40 HG22 VAL 40 0.214 -1.231 -5.062 292 HG23 VAL 40 HG23 VAL 40 0.719 -2.368 -6.312 293 H VAL 41 HN VAL 41 5.563 -0.355 -6.610 294 HA VAL 41 HA VAL 41 7.250 -2.308 -5.388 295 HB VAL 41 HB VAL 41 8.100 -0.918 -7.226 296 HG11 VAL 41 HG11 VAL 41 8.245 1.332 -7.190 297 HG12 VAL 41 HG12 VAL 41 8.591 1.389 -5.462 298 HG13 VAL 41 HG13 VAL 41 6.933 1.179 -6.022 299 HG21 VAL 41 HG21 VAL 41 10.134 -1.363 -6.437 300 HG22 VAL 41 HG22 VAL 41 9.414 -1.668 -4.855 301 HG23 VAL 41 HG23 VAL 41 10.013 -0.058 -5.258 302 H LEU 42 HN LEU 42 6.850 -2.634 -3.316 303 HA LEU 42 HA LEU 42 6.052 -0.864 -1.368 304 HB2 LEU 42 HB2 LEU 42 7.889 -3.229 -1.097 305 HB3 LEU 42 HB1 LEU 42 7.047 -2.461 0.235 306 HG LEU 42 HG LEU 42 5.564 -3.659 -2.095 307 HD11 LEU 42 HD11 LEU 42 6.208 -5.689 -1.443 308 HD12 LEU 42 HD12 LEU 42 5.286 -5.411 0.033 309 HD13 LEU 42 HD13 LEU 42 7.011 -5.053 -0.006 310 HD21 LEU 42 HD21 LEU 42 4.820 -2.854 0.705 311 HD22 LEU 42 HD22 LEU 42 3.778 -3.820 -0.339 312 HD23 LEU 42 HD23 LEU 42 4.226 -2.182 -0.814 313 H SER 43 HN SER 43 9.113 -1.083 -2.900 314 HA SER 43 HA SER 43 10.779 -0.065 -0.887 315 HB2 SER 43 HB2 SER 43 11.012 -0.670 -3.675 316 HB3 SER 43 HB1 SER 43 11.705 0.923 -3.381 317 HG SER 43 HG SER 43 12.335 -1.356 -1.820 318 H THR 44 HN THR 44 9.154 1.564 -3.552 319 HA THR 44 HA THR 44 9.788 4.178 -2.738 320 HB THR 44 HB THR 44 7.923 4.813 -4.255 321 HG1 THR 44 HG1 THR 44 6.701 3.289 -5.215 322 HG21 THR 44 HG21 THR 44 9.704 4.714 -5.617 323 HG22 THR 44 HG22 THR 44 8.839 3.322 -6.267 324 HG23 THR 44 HG23 THR 44 10.140 3.085 -5.101 325 H ILE 45 HN ILE 45 7.402 1.838 -1.773 326 HA ILE 45 HA ILE 45 5.610 3.708 -0.538 327 HB ILE 45 HB ILE 45 5.924 0.784 0.141 328 HG12 ILE 45 HG12 ILE 45 4.321 2.140 -2.035 329 HG13 ILE 45 HG11 ILE 45 5.575 0.921 -2.234 330 HG21 ILE 45 HG21 ILE 45 4.616 1.999 1.760 331 HG22 ILE 45 HG22 ILE 45 3.540 0.998 0.785 332 HG23 ILE 45 HG23 ILE 45 3.647 2.733 0.482 333 HD11 ILE 45 HD11 ILE 45 3.696 -0.279 -0.588 334 HD12 ILE 45 HD12 ILE 45 3.949 -0.578 -2.308 335 HD13 ILE 45 HD13 ILE 45 2.749 0.603 -1.784 336 H ASP 46 HN ASP 46 5.738 4.659 1.392 337 HA ASP 46 HA ASP 46 7.900 3.805 3.202 338 HB2 ASP 46 HB2 ASP 46 7.513 6.277 2.062 339 HB3 ASP 46 HB1 ASP 46 6.782 6.479 3.651 340 H LYS 47 HN LYS 47 4.502 4.384 2.921 341 HA LYS 47 HA LYS 47 4.193 3.785 5.788 342 HB2 LYS 47 HB2 LYS 47 3.087 5.925 4.196 343 HB3 LYS 47 HB1 LYS 47 1.801 4.943 4.886 344 HG2 LYS 47 HG2 LYS 47 2.443 5.417 7.070 345 HG3 LYS 47 HG1 LYS 47 4.055 5.944 6.582 346 HD2 LYS 47 HD2 LYS 47 3.324 8.012 5.909 347 HD3 LYS 47 HD1 LYS 47 1.696 7.436 5.544 348 HE2 LYS 47 HE2 LYS 47 1.071 7.440 7.809 349 HE3 LYS 47 HE1 LYS 47 2.743 7.551 8.356 350 HZ1 LYS 47 HZ1 LYS 47 1.752 9.672 8.623 351 HZ2 LYS 47 HZ2 LYS 47 1.136 9.672 7.048 352 HZ3 LYS 47 HZ3 LYS 47 2.803 9.793 7.303 353 H LEU 48 HN LEU 48 2.607 2.335 6.390 354 HA LEU 48 HA LEU 48 1.283 0.862 4.216 355 HB2 LEU 48 HB2 LEU 48 3.314 -0.102 5.921 356 HB3 LEU 48 HB1 LEU 48 1.822 -0.849 6.463 357 HG LEU 48 HG LEU 48 1.501 -1.396 3.923 358 HD11 LEU 48 HD11 LEU 48 3.912 -0.063 3.766 359 HD12 LEU 48 HD12 LEU 48 3.220 -1.120 2.535 360 HD13 LEU 48 HD13 LEU 48 4.372 -1.765 3.704 361 HD21 LEU 48 HD21 LEU 48 2.165 -3.528 4.392 362 HD22 LEU 48 HD22 LEU 48 2.096 -2.868 6.026 363 HD23 LEU 48 HD23 LEU 48 3.646 -3.011 5.197 364 H GLN 49 HN GLN 49 -0.836 0.448 4.521 365 HA GLN 49 HA GLN 49 -1.953 1.020 7.187 366 HB2 GLN 49 HB2 GLN 49 -2.821 1.940 4.486 367 HB3 GLN 49 HB1 GLN 49 -4.030 1.695 5.737 368 HG2 GLN 49 HG2 GLN 49 -3.478 3.966 5.820 369 HG3 GLN 49 HG1 GLN 49 -2.647 3.231 7.187 370 HE21 GLN 49 HE21 GLN 49 -1.631 5.505 6.680 371 HE22 GLN 49 HE22 GLN 49 -0.181 5.440 5.745 372 H ALA 50 HN ALA 50 -3.341 -0.375 8.001 373 HA ALA 50 HA ALA 50 -4.760 -2.296 6.355 374 HB1 ALA 50 HB1 ALA 50 -3.164 -3.361 8.660 375 HB2 ALA 50 HB2 ALA 50 -2.484 -3.272 7.038 376 HB3 ALA 50 HB3 ALA 50 -3.923 -4.243 7.335 377 H THR 51 HN THR 51 -6.620 -3.158 7.440 378 HA THR 51 HA THR 51 -7.327 -1.547 9.778 379 HB THR 51 HB THR 51 -9.590 -1.910 9.266 380 HG1 THR 51 HG1 THR 51 -9.932 -3.442 7.357 381 HG21 THR 51 HG21 THR 51 -7.973 -1.580 6.769 382 HG22 THR 51 HG22 THR 51 -8.831 -0.355 7.704 383 HG23 THR 51 HG23 THR 51 -9.734 -1.541 6.763 384 HA PRO 52 HA PRO 52 -6.624 -5.371 12.135 385 HB2 PRO 52 HB2 PRO 52 -6.229 -4.137 14.491 386 HB3 PRO 52 HB1 PRO 52 -4.966 -4.194 13.254 387 HG2 PRO 52 HG2 PRO 52 -6.882 -1.982 13.900 388 HG3 PRO 52 HG1 PRO 52 -5.137 -1.893 13.592 389 HD2 PRO 52 HD2 PRO 52 -6.988 -1.311 11.697 390 HD3 PRO 52 HD1 PRO 52 -5.406 -2.015 11.312 391 H ALA 53 HN ALA 53 -7.748 -6.198 14.106 392 HA ALA 53 HA ALA 53 -10.442 -6.289 13.931 393 HB1 ALA 53 HB1 ALA 53 -9.213 -6.344 16.652 394 HB2 ALA 53 HB2 ALA 53 -8.808 -7.576 15.457 395 HB3 ALA 53 HB3 ALA 53 -10.481 -7.365 15.973 396 H SER 54 HN SER 54 -8.913 -3.403 14.627 397 HA SER 54 HA SER 54 -10.475 -2.216 16.615 398 HB2 SER 54 HB2 SER 54 -8.375 -1.297 15.570 399 HB3 SER 54 HB1 SER 54 -9.364 -0.878 14.167 400 HG SER 54 HG SER 54 -9.492 0.925 15.325 401 H SER 55 HN SER 55 -11.000 -2.785 13.260 402 HA SER 55 HA SER 55 -13.774 -1.894 13.541 403 HB2 SER 55 HB2 SER 55 -11.753 -1.009 11.515 404 HB3 SER 55 HB1 SER 55 -13.476 -0.988 11.135 405 HG SER 55 HG SER 55 -12.050 0.512 13.035 406 H GLU 56 HN GLU 56 -15.152 -2.701 11.730 407 HA GLU 56 HA GLU 56 -14.661 -5.483 11.305 408 HB2 GLU 56 HB2 GLU 56 -16.833 -3.597 10.420 409 HB3 GLU 56 HB1 GLU 56 -16.786 -5.268 9.876 410 HG2 GLU 56 HG2 GLU 56 -16.563 -5.698 12.489 411 HG3 GLU 56 HG1 GLU 56 -17.410 -4.152 12.543 412 H LYS 57 HN LYS 57 -13.987 -2.623 9.551 413 HA LYS 57 HA LYS 57 -14.040 -3.381 6.913 414 HB2 LYS 57 HB2 LYS 57 -11.630 -1.961 7.127 415 HB3 LYS 57 HB1 LYS 57 -13.207 -1.318 6.717 416 HG2 LYS 57 HG2 LYS 57 -12.463 -1.616 9.585 417 HG3 LYS 57 HG1 LYS 57 -11.796 -0.282 8.645 418 HD2 LYS 57 HD2 LYS 57 -14.328 -0.010 7.926 419 HD3 LYS 57 HD1 LYS 57 -14.604 -0.803 9.474 420 HE2 LYS 57 HE2 LYS 57 -13.629 0.936 10.670 421 HE3 LYS 57 HE1 LYS 57 -12.756 1.540 9.267 422 HZ1 LYS 57 HZ1 LYS 57 -14.611 2.595 8.458 423 HZ2 LYS 57 HZ2 LYS 57 -14.850 2.772 10.123 424 HZ3 LYS 57 HZ3 LYS 57 -15.694 1.581 9.272 425 H MET 58 HN MET 58 -11.910 -3.610 5.574 426 HA MET 58 HA MET 58 -9.846 -5.257 6.651 427 HB2 MET 58 HB2 MET 58 -10.427 -7.189 5.033 428 HB3 MET 58 HB1 MET 58 -11.290 -7.093 6.562 429 HG2 MET 58 HG2 MET 58 -12.708 -5.587 4.602 430 HG3 MET 58 HG1 MET 58 -12.347 -7.185 3.952 431 HE1 MET 58 HE1 MET 58 -14.998 -7.254 3.764 432 HE2 MET 58 HE2 MET 58 -15.761 -8.333 4.933 433 HE3 MET 58 HE3 MET 58 -14.302 -8.846 4.081 434 H MET 59 HN MET 59 -9.071 -3.177 5.596 435 HA MET 59 HA MET 59 -8.490 -3.718 2.767 436 HB2 MET 59 HB2 MET 59 -8.696 -1.363 2.247 437 HB3 MET 59 HB1 MET 59 -10.183 -1.923 2.998 438 HG2 MET 59 HG2 MET 59 -8.383 -0.955 4.998 439 HG3 MET 59 HG1 MET 59 -8.576 0.248 3.731 440 HE1 MET 59 HE1 MET 59 -9.013 1.033 6.218 441 HE2 MET 59 HE2 MET 59 -10.489 0.707 7.123 442 HE3 MET 59 HE3 MET 59 -10.454 2.007 5.933 443 H LEU 60 HN LEU 60 -6.591 -2.709 1.922 444 HA LEU 60 HA LEU 60 -4.550 -2.085 3.940 445 HB2 LEU 60 HB2 LEU 60 -4.287 -3.808 1.476 446 HB3 LEU 60 HB1 LEU 60 -2.905 -3.162 2.338 447 HG LEU 60 HG LEU 60 -4.897 -5.203 3.309 448 HD11 LEU 60 HD11 LEU 60 -1.987 -5.191 2.625 449 HD12 LEU 60 HD12 LEU 60 -3.246 -6.326 2.138 450 HD13 LEU 60 HD13 LEU 60 -2.621 -6.355 3.788 451 HD21 LEU 60 HD21 LEU 60 -2.945 -3.540 4.862 452 HD22 LEU 60 HD22 LEU 60 -3.416 -5.152 5.403 453 HD23 LEU 60 HD23 LEU 60 -4.636 -3.892 5.219 454 H ARG 61 HN ARG 61 -3.668 -0.123 3.631 455 HA ARG 61 HA ARG 61 -3.841 1.067 0.932 456 HB2 ARG 61 HB2 ARG 61 -5.165 2.546 2.015 457 HB3 ARG 61 HB1 ARG 61 -4.533 2.126 3.596 458 HG2 ARG 61 HG2 ARG 61 -2.827 3.676 3.470 459 HG3 ARG 61 HG1 ARG 61 -2.860 3.722 1.706 460 HD2 ARG 61 HD2 ARG 61 -5.404 4.554 2.665 461 HD3 ARG 61 HD1 ARG 61 -4.166 5.441 3.553 462 HE ARG 61 HE ARG 61 -3.356 5.656 0.981 463 HH11 ARG 61 HH11 ARG 61 -6.380 6.308 2.596 464 HH12 ARG 61 HH12 ARG 61 -6.834 7.574 1.506 465 HH21 ARG 61 HH21 ARG 61 -3.950 7.322 -0.454 466 HH22 ARG 61 HH22 ARG 61 -5.454 8.150 -0.226 467 H LEU 62 HN LEU 62 -2.027 2.102 0.123 468 HA LEU 62 HA LEU 62 0.396 2.002 1.796 469 HB2 LEU 62 HB2 LEU 62 0.191 1.321 -1.137 470 HB3 LEU 62 HB1 LEU 62 1.684 1.409 -0.222 471 HG LEU 62 HG LEU 62 1.115 -0.893 -0.447 472 HD11 LEU 62 HD11 LEU 62 1.734 0.170 1.886 473 HD12 LEU 62 HD12 LEU 62 1.354 -1.545 1.725 474 HD13 LEU 62 HD13 LEU 62 0.129 -0.421 2.315 475 HD21 LEU 62 HD21 LEU 62 -1.431 -0.810 1.000 476 HD22 LEU 62 HD22 LEU 62 -0.958 -1.746 -0.418 477 HD23 LEU 62 HD23 LEU 62 -1.474 -0.069 -0.600 478 H ILE 63 HN ILE 63 1.814 3.693 1.630 479 HA ILE 63 HA ILE 63 1.020 5.895 -0.159 480 HB ILE 63 HB ILE 63 1.778 5.955 2.732 481 HG12 ILE 63 HG12 ILE 63 -0.072 7.960 2.002 482 HG13 ILE 63 HG11 ILE 63 -0.537 6.504 1.125 483 HG21 ILE 63 HG21 ILE 63 2.171 8.219 0.786 484 HG22 ILE 63 HG22 ILE 63 3.390 7.460 1.811 485 HG23 ILE 63 HG23 ILE 63 2.098 8.417 2.537 486 HD11 ILE 63 HD11 ILE 63 -0.074 6.663 4.085 487 HD12 ILE 63 HD12 ILE 63 -0.644 5.261 3.179 488 HD13 ILE 63 HD13 ILE 63 -1.649 6.706 3.293 489 H GLY 64 HN GLY 64 2.528 6.400 -1.601 490 HA2 GLY 64 HA2 GLY 64 5.076 5.227 -1.686 491 HA3 GLY 64 HA1 GLY 64 4.556 6.597 -2.653 492 H LYS 65 HN LYS 65 6.759 7.346 -2.421 493 HA LYS 65 HA LYS 65 7.278 8.584 0.203 494 HB2 LYS 65 HB2 LYS 65 8.891 6.808 -0.976 495 HB3 LYS 65 HB1 LYS 65 9.477 8.262 -1.772 496 HG2 LYS 65 HG2 LYS 65 10.758 8.650 -0.012 497 HG3 LYS 65 HG1 LYS 65 9.299 8.902 0.949 498 HD2 LYS 65 HD2 LYS 65 10.420 7.246 2.131 499 HD3 LYS 65 HD1 LYS 65 9.273 6.325 1.156 500 HE2 LYS 65 HE2 LYS 65 10.905 5.504 -0.235 501 HE3 LYS 65 HE1 LYS 65 11.985 6.869 0.050 502 HZ1 LYS 65 HZ1 LYS 65 11.900 5.791 2.478 503 HZ2 LYS 65 HZ2 LYS 65 13.053 5.367 1.316 504 HZ3 LYS 65 HZ3 LYS 65 11.687 4.397 1.544 505 H VAL 66 HN VAL 66 9.044 10.468 -0.272 506 HA VAL 66 HA VAL 66 7.989 12.131 -2.457 507 HB VAL 66 HB VAL 66 8.343 14.108 -0.848 508 HG11 VAL 66 HG11 VAL 66 6.046 12.285 -0.179 509 HG12 VAL 66 HG12 VAL 66 6.159 13.172 -1.699 510 HG13 VAL 66 HG13 VAL 66 6.078 14.049 -0.171 511 HG21 VAL 66 HG21 VAL 66 7.891 11.986 1.238 512 HG22 VAL 66 HG22 VAL 66 8.202 13.704 1.484 513 HG23 VAL 66 HG23 VAL 66 9.481 12.655 0.872 514 H ASP 67 HN ASP 67 9.497 13.143 -3.639 515 HA ASP 67 HA ASP 67 12.224 13.342 -2.556 516 HB2 ASP 67 HB2 ASP 67 11.294 11.972 -5.011 517 HB3 ASP 67 HB1 ASP 67 12.748 12.951 -5.179 518 H GLU 68 HN GLU 68 10.909 15.514 -2.240 519 HA GLU 68 HA GLU 68 10.668 17.224 -4.492 520 HB2 GLU 68 HB2 GLU 68 10.520 19.032 -2.711 521 HB3 GLU 68 HB1 GLU 68 9.312 17.758 -2.640 522 HG2 GLU 68 HG2 GLU 68 10.015 17.027 -0.647 523 HG3 GLU 68 HG1 GLU 68 11.717 17.231 -1.059 524 H SER 69 HN SER 69 13.375 16.126 -2.814 525 HA SER 69 HA SER 69 14.960 18.492 -3.014 526 HB2 SER 69 HB2 SER 69 15.272 16.589 -1.336 527 HB3 SER 69 HB1 SER 69 16.023 15.697 -2.659 528 HG SER 69 HG SER 69 17.747 16.712 -1.989 529 H LYS 70 HN LYS 70 14.186 15.885 -5.115 530 HA LYS 70 HA LYS 70 16.225 16.801 -6.996 531 HB2 LYS 70 HB2 LYS 70 15.950 14.450 -8.002 532 HB3 LYS 70 HB1 LYS 70 16.865 14.614 -6.509 533 HG2 LYS 70 HG2 LYS 70 13.959 14.058 -6.296 534 HG3 LYS 70 HG1 LYS 70 15.020 12.752 -6.829 535 HD2 LYS 70 HD2 LYS 70 15.858 14.319 -4.452 536 HD3 LYS 70 HD1 LYS 70 14.501 13.208 -4.258 537 HE2 LYS 70 HE2 LYS 70 15.805 11.380 -4.452 538 HE3 LYS 70 HE1 LYS 70 16.819 12.111 -5.696 539 HZ1 LYS 70 HZ1 LYS 70 18.124 11.758 -3.745 540 HZ2 LYS 70 HZ2 LYS 70 16.999 12.558 -2.767 541 HZ3 LYS 70 HZ3 LYS 70 17.888 13.425 -3.915 542 H LYS 71 HN LYS 71 12.877 16.305 -6.454 543 HA LYS 71 HA LYS 71 11.019 16.507 -7.747 544 HB2 LYS 71 HB2 LYS 71 12.932 18.506 -8.892 545 HB3 LYS 71 HB1 LYS 71 11.324 18.314 -9.577 546 HG2 LYS 71 HG2 LYS 71 10.816 19.905 -8.088 547 HG3 LYS 71 HG1 LYS 71 10.684 18.518 -6.996 548 HD2 LYS 71 HD2 LYS 71 12.010 20.186 -5.904 549 HD3 LYS 71 HD1 LYS 71 13.071 18.855 -6.379 550 HE2 LYS 71 HE2 LYS 71 13.214 20.456 -8.569 551 HE3 LYS 71 HE1 LYS 71 13.011 21.651 -7.289 552 HZ1 LYS 71 HZ1 LYS 71 14.863 20.135 -6.186 553 HZ2 LYS 71 HZ2 LYS 71 15.245 21.427 -7.209 554 HZ3 LYS 71 HZ3 LYS 71 15.240 19.846 -7.810 555 H ARG 72 HN ARG 72 10.177 16.616 -10.055 556 HA ARG 72 HA ARG 72 11.579 14.610 -11.691 557 HB2 ARG 72 HB2 ARG 72 8.640 15.292 -11.802 558 HB3 ARG 72 HB1 ARG 72 9.447 13.914 -12.536 559 HG2 ARG 72 HG2 ARG 72 8.656 12.818 -10.750 560 HG3 ARG 72 HG1 ARG 72 10.061 13.511 -9.940 561 HD2 ARG 72 HD2 ARG 72 8.128 13.891 -8.576 562 HD3 ARG 72 HD1 ARG 72 8.647 15.432 -9.251 563 HE ARG 72 HE ARG 72 6.248 13.922 -9.982 564 HH11 ARG 72 HH11 ARG 72 8.220 16.784 -10.381 565 HH12 ARG 72 HH12 ARG 72 6.966 17.683 -11.164 566 HH21 ARG 72 HH21 ARG 72 4.609 15.110 -11.014 567 HH22 ARG 72 HH22 ARG 72 4.921 16.736 -11.524 568 H LYS 73 HN LYS 73 10.469 17.811 -11.459 569 HA LYS 73 HA LYS 73 10.601 19.616 -12.795 570 HB2 LYS 73 HB2 LYS 73 12.169 17.801 -14.645 571 HB3 LYS 73 HB1 LYS 73 12.098 19.555 -14.743 572 HG2 LYS 73 HG2 LYS 73 14.107 19.185 -13.675 573 HG3 LYS 73 HG1 LYS 73 13.010 19.498 -12.329 574 HD2 LYS 73 HD2 LYS 73 12.935 17.254 -11.710 575 HD3 LYS 73 HD1 LYS 73 13.502 16.702 -13.288 576 HE2 LYS 73 HE2 LYS 73 15.279 18.420 -11.620 577 HE3 LYS 73 HE1 LYS 73 15.105 16.714 -11.210 578 HZ1 LYS 73 HZ1 LYS 73 16.969 17.010 -12.671 579 HZ2 LYS 73 HZ2 LYS 73 16.016 17.817 -13.812 580 HZ3 LYS 73 HZ3 LYS 73 15.756 16.174 -13.503 581 H ASP 74 HN ASP 74 10.415 19.981 -15.526 582 HA ASP 74 HA ASP 74 8.356 18.333 -16.634 583 HB2 ASP 74 HB2 ASP 74 7.407 20.221 -14.943 584 HB3 ASP 74 HB1 ASP 74 7.445 21.139 -16.445 585 H ASN 75 HN ASN 75 7.499 19.412 -18.734 586 HA ASN 75 HA ASN 75 9.659 19.817 -20.446 587 HB2 ASN 75 HB2 ASN 75 7.025 19.308 -20.807 588 HB3 ASN 75 HB1 ASN 75 7.091 20.999 -21.293 589 HD21 ASN 75 HD21 ASN 75 6.629 18.529 -22.840 590 HD22 ASN 75 HD22 ASN 75 7.805 18.554 -24.105 591 H GLU 76 HN GLU 76 7.773 22.069 -18.611 592 HA GLU 76 HA GLU 76 8.977 24.348 -19.930 593 HB2 GLU 76 HB2 GLU 76 6.806 24.063 -17.872 594 HB3 GLU 76 HB1 GLU 76 7.514 25.627 -18.253 595 HG2 GLU 76 HG2 GLU 76 6.540 25.729 -20.301 596 HG3 GLU 76 HG1 GLU 76 6.540 23.978 -20.513 597 H GLY 77 HN GLY 77 10.412 22.385 -18.101 598 HA2 GLY 77 HA2 GLY 77 12.140 22.513 -16.599 599 HA3 GLY 77 HA1 GLY 77 12.132 24.250 -16.864 600 H ASN 78 HN ASN 78 9.144 22.965 -15.823 601 HA ASN 78 HA ASN 78 9.443 24.301 -13.267 602 HB2 ASN 78 HB2 ASN 78 7.038 22.861 -14.406 603 HB3 ASN 78 HB1 ASN 78 7.051 23.929 -13.007 604 HD21 ASN 78 HD21 ASN 78 5.709 23.978 -15.713 605 HD22 ASN 78 HD22 ASN 78 6.041 25.562 -16.318 606 H GLU 79 HN GLU 79 9.629 23.339 -11.323 607 HA GLU 79 HA GLU 79 9.578 20.392 -11.266 608 HB2 GLU 79 HB2 GLU 79 11.221 21.976 -9.330 609 HB3 GLU 79 HB1 GLU 79 11.449 20.327 -9.895 610 HG2 GLU 79 HG2 GLU 79 12.079 21.252 -12.121 611 HG3 GLU 79 HG1 GLU 79 12.020 22.863 -11.406 612 H VAL 80 HN VAL 80 9.145 19.466 -9.093 613 HA VAL 80 HA VAL 80 7.952 20.991 -7.037 614 HB VAL 80 HB VAL 80 6.146 21.289 -8.662 615 HG11 VAL 80 HG11 VAL 80 6.295 18.305 -8.812 616 HG12 VAL 80 HG12 VAL 80 6.217 19.489 -10.116 617 HG13 VAL 80 HG13 VAL 80 4.781 19.142 -9.153 618 HG21 VAL 80 HG21 VAL 80 4.319 20.628 -7.265 619 HG22 VAL 80 HG22 VAL 80 5.674 21.060 -6.221 620 HG23 VAL 80 HG23 VAL 80 5.288 19.363 -6.508 621 H VAL 81 HN VAL 81 7.036 19.645 -5.329 622 HA VAL 81 HA VAL 81 8.567 17.372 -4.802 623 HB VAL 81 HB VAL 81 7.523 18.675 -3.022 624 HG11 VAL 81 HG11 VAL 81 4.867 17.449 -3.352 625 HG12 VAL 81 HG12 VAL 81 5.287 18.689 -4.534 626 HG13 VAL 81 HG13 VAL 81 5.315 19.068 -2.812 627 HG21 VAL 81 HG21 VAL 81 7.878 15.991 -3.044 628 HG22 VAL 81 HG22 VAL 81 6.180 16.096 -2.579 629 HG23 VAL 81 HG23 VAL 81 7.409 16.918 -1.618 630 HA PRO 82 HA PRO 82 6.584 14.309 -7.394 631 HB2 PRO 82 HB2 PRO 82 7.757 12.485 -5.350 632 HB3 PRO 82 HB1 PRO 82 7.886 12.429 -7.112 633 HG2 PRO 82 HG2 PRO 82 9.936 13.260 -5.652 634 HG3 PRO 82 HG1 PRO 82 9.526 14.081 -7.170 635 HD2 PRO 82 HD2 PRO 82 8.985 14.924 -4.352 636 HD3 PRO 82 HD1 PRO 82 9.481 15.906 -5.746 637 H LYS 83 HN LYS 83 4.415 14.322 -7.118 638 HA LYS 83 HA LYS 83 3.018 14.111 -4.725 639 HB2 LYS 83 HB2 LYS 83 2.261 13.528 -7.575 640 HB3 LYS 83 HB1 LYS 83 1.113 13.295 -6.264 641 HG2 LYS 83 HG2 LYS 83 0.552 15.420 -6.643 642 HG3 LYS 83 HG1 LYS 83 2.024 15.809 -5.752 643 HD2 LYS 83 HD2 LYS 83 3.236 15.718 -7.970 644 HD3 LYS 83 HD1 LYS 83 1.647 15.654 -8.735 645 HE2 LYS 83 HE2 LYS 83 1.237 17.762 -7.175 646 HE3 LYS 83 HE1 LYS 83 2.990 17.888 -7.311 647 HZ1 LYS 83 HZ1 LYS 83 1.293 18.944 -9.066 648 HZ2 LYS 83 HZ2 LYS 83 1.564 17.444 -9.799 649 HZ3 LYS 83 HZ3 LYS 83 2.867 18.468 -9.465 650 HA PRO 84 HA PRO 84 4.094 9.828 -3.717 651 HB2 PRO 84 HB2 PRO 84 1.935 10.377 -1.733 652 HB3 PRO 84 HB1 PRO 84 3.533 9.664 -1.488 653 HG2 PRO 84 HG2 PRO 84 3.052 12.177 -0.765 654 HG3 PRO 84 HG1 PRO 84 4.601 11.724 -1.502 655 HD2 PRO 84 HD2 PRO 84 2.279 13.166 -2.701 656 HD3 PRO 84 HD1 PRO 84 4.017 13.390 -2.984 657 H GLN 85 HN GLN 85 3.056 7.826 -3.912 658 HA GLN 85 HA GLN 85 0.522 7.934 -5.373 659 HB2 GLN 85 HB2 GLN 85 2.744 6.672 -6.084 660 HB3 GLN 85 HB1 GLN 85 2.076 5.407 -5.061 661 HG2 GLN 85 HG2 GLN 85 1.491 5.102 -7.413 662 HG3 GLN 85 HG1 GLN 85 0.067 5.334 -6.399 663 HE21 GLN 85 HE21 GLN 85 -1.322 6.899 -6.905 664 HE22 GLN 85 HE22 GLN 85 -1.071 8.099 -8.122 665 H ARG 86 HN ARG 86 -0.454 8.412 -3.176 666 HA ARG 86 HA ARG 86 -0.682 6.178 -1.363 667 HB2 ARG 86 HB2 ARG 86 -2.346 8.690 -1.319 668 HB3 ARG 86 HB1 ARG 86 -1.964 7.620 0.022 669 HG2 ARG 86 HG2 ARG 86 0.358 8.325 -0.045 670 HG3 ARG 86 HG1 ARG 86 0.017 9.359 -1.434 671 HD2 ARG 86 HD2 ARG 86 -0.967 9.650 1.392 672 HD3 ARG 86 HD1 ARG 86 0.021 10.774 0.461 673 HE ARG 86 HE ARG 86 -2.835 10.546 0.428 674 HH11 ARG 86 HH11 ARG 86 -0.045 11.491 -1.444 675 HH12 ARG 86 HH12 ARG 86 -0.935 12.584 -2.450 676 HH21 ARG 86 HH21 ARG 86 -4.007 11.982 -0.896 677 HH22 ARG 86 HH22 ARG 86 -3.184 12.863 -2.139 678 H HIS 87 HN HIS 87 -2.054 4.553 -1.623 679 HA HIS 87 HA HIS 87 -4.651 5.074 -2.883 680 HB2 HIS 87 HB2 HIS 87 -4.335 2.716 -3.951 681 HB3 HIS 87 HB1 HIS 87 -3.602 4.119 -4.720 682 HD1 HIS 87 HD1 HIS 87 -1.180 3.929 -5.218 683 HD2 HIS 87 HD2 HIS 87 -2.384 1.235 -2.294 684 HE1 HIS 87 HE1 HIS 87 0.836 2.501 -4.749 685 HE2 HIS 87 HE2 HIS 87 0.051 0.809 -3.056 686 H MET 88 HN MET 88 -6.307 3.569 -2.342 687 HA MET 88 HA MET 88 -5.775 2.115 0.170 688 HB2 MET 88 HB2 MET 88 -7.539 4.161 -0.214 689 HB3 MET 88 HB1 MET 88 -8.571 2.765 -0.480 690 HG2 MET 88 HG2 MET 88 -6.965 2.364 1.856 691 HG3 MET 88 HG1 MET 88 -7.800 3.910 1.953 692 HE1 MET 88 HE1 MET 88 -8.694 2.063 4.288 693 HE2 MET 88 HE2 MET 88 -10.435 2.269 4.076 694 HE3 MET 88 HE3 MET 88 -9.355 3.618 3.791 695 H PHE 89 HN PHE 89 -5.642 0.004 -0.207 696 HA PHE 89 HA PHE 89 -7.188 -1.199 -2.374 697 HB2 PHE 89 HB2 PHE 89 -4.630 -1.671 -1.271 698 HB3 PHE 89 HB1 PHE 89 -5.599 -3.086 -0.887 699 HD1 PHE 89 HD1 PHE 89 -7.251 -3.603 -3.090 700 HD2 PHE 89 HD2 PHE 89 -3.304 -2.014 -3.091 701 HE1 PHE 89 HE1 PHE 89 -6.916 -4.445 -5.377 702 HE2 PHE 89 HE2 PHE 89 -2.963 -2.852 -5.378 703 HZ PHE 89 HZ PHE 89 -4.773 -4.066 -6.520 704 H SER 90 HN SER 90 -9.119 -2.094 -1.954 705 HA SER 90 HA SER 90 -9.627 -3.026 0.797 706 HB2 SER 90 HB2 SER 90 -11.473 -1.635 -1.139 707 HB3 SER 90 HB1 SER 90 -12.035 -2.430 0.331 708 HG SER 90 HG SER 90 -11.310 -0.815 1.471 709 H PHE 91 HN PHE 91 -10.306 -5.037 1.073 710 HA PHE 91 HA PHE 91 -11.474 -6.463 -1.201 711 HB2 PHE 91 HB2 PHE 91 -10.070 -8.438 0.190 712 HB3 PHE 91 HB1 PHE 91 -9.690 -7.786 -1.399 713 HD1 PHE 91 HD2 PHE 91 -8.434 -5.304 -1.048 714 HD2 PHE 91 HD1 PHE 91 -8.259 -8.695 1.510 715 HE1 PHE 91 HE2 PHE 91 -6.257 -4.552 -0.202 716 HE2 PHE 91 HE1 PHE 91 -6.076 -7.956 2.339 717 HZ PHE 91 HZ PHE 91 -5.068 -5.879 1.489 718 H ASN 92 HN ASN 92 -12.452 -8.611 -0.417 719 HA ASN 92 HA ASN 92 -14.052 -7.981 1.944 720 HB2 ASN 92 HB2 ASN 92 -14.421 -10.021 -0.256 721 HB3 ASN 92 HB1 ASN 92 -15.498 -9.864 1.129 722 HD21 ASN 92 HD21 ASN 92 -14.117 -8.036 -1.560 723 HD22 ASN 92 HD22 ASN 92 -15.489 -7.015 -1.802 724 H ASN 93 HN ASN 93 -11.278 -8.962 2.130 725 HA ASN 93 HA ASN 93 -11.835 -11.368 3.722 726 HB2 ASN 93 HB2 ASN 93 -9.304 -10.919 2.137 727 HB3 ASN 93 HB1 ASN 93 -9.746 -12.363 3.044 728 HD21 ASN 93 HD21 ASN 93 -9.039 -12.217 0.285 729 HD22 ASN 93 HD22 ASN 93 -10.402 -12.765 -0.623 730 H ARG 94 HN ARG 94 -11.704 -10.689 5.753 731 HA ARG 94 HA ARG 94 -9.882 -8.626 6.581 732 HB2 ARG 94 HB2 ARG 94 -12.120 -8.931 7.612 733 HB3 ARG 94 HB1 ARG 94 -11.585 -10.474 8.264 734 HG2 ARG 94 HG2 ARG 94 -9.887 -8.159 8.913 735 HG3 ARG 94 HG1 ARG 94 -11.503 -8.156 9.621 736 HD2 ARG 94 HD2 ARG 94 -10.752 -10.714 10.085 737 HD3 ARG 94 HD1 ARG 94 -9.193 -9.895 10.171 738 HE ARG 94 HE ARG 94 -11.002 -8.436 11.707 739 HH11 ARG 94 HH11 ARG 94 -9.500 -11.586 11.725 740 HH12 ARG 94 HH12 ARG 94 -9.552 -11.739 13.449 741 HH21 ARG 94 HH21 ARG 94 -11.070 -8.635 13.974 742 HH22 ARG 94 HH22 ARG 94 -10.443 -10.064 14.726 743 H THR 95 HN THR 95 -9.946 -12.117 6.573 744 HA THR 95 HA THR 95 -7.829 -12.509 8.405 745 HB THR 95 HB THR 95 -8.309 -14.553 6.395 746 HG1 THR 95 HG1 THR 95 -10.389 -14.618 6.484 747 HG21 THR 95 HG21 THR 95 -7.219 -14.988 8.557 748 HG22 THR 95 HG22 THR 95 -8.647 -15.986 8.279 749 HG23 THR 95 HG23 THR 95 -8.741 -14.590 9.352 750 H VAL 96 HN VAL 96 -8.089 -12.469 4.871 751 HA VAL 96 HA VAL 96 -5.410 -13.116 4.313 752 HB VAL 96 HB VAL 96 -7.226 -11.392 2.622 753 HG11 VAL 96 HG11 VAL 96 -4.579 -11.955 2.257 754 HG12 VAL 96 HG12 VAL 96 -5.717 -11.549 0.973 755 HG13 VAL 96 HG13 VAL 96 -5.358 -13.238 1.331 756 HG21 VAL 96 HG21 VAL 96 -8.354 -13.207 1.892 757 HG22 VAL 96 HG22 VAL 96 -7.903 -13.852 3.471 758 HG23 VAL 96 HG23 VAL 96 -6.956 -14.272 2.044 759 H MET 97 HN MET 97 -7.012 -9.925 4.194 760 HA MET 97 HA MET 97 -4.905 -8.288 3.697 761 HB2 MET 97 HB2 MET 97 -6.064 -6.612 5.237 762 HB3 MET 97 HB1 MET 97 -7.006 -7.266 3.909 763 HG2 MET 97 HG2 MET 97 -8.567 -7.718 5.408 764 HG3 MET 97 HG1 MET 97 -7.520 -9.025 5.955 765 HE1 MET 97 HE1 MET 97 -7.634 -4.812 7.746 766 HE2 MET 97 HE2 MET 97 -7.951 -5.275 6.073 767 HE3 MET 97 HE3 MET 97 -6.295 -5.226 6.677 768 H ASP 98 HN ASP 98 -5.856 -9.253 6.999 769 HA ASP 98 HA ASP 98 -3.697 -8.000 8.282 770 HB2 ASP 98 HB2 ASP 98 -5.893 -8.951 9.269 771 HB3 ASP 98 HB1 ASP 98 -5.014 -10.474 9.365 772 H ASN 99 HN ASN 99 -3.862 -10.959 6.521 773 HA ASN 99 HA ASN 99 -1.490 -12.069 7.758 774 HB2 ASN 99 HB2 ASN 99 -3.666 -13.171 6.460 775 HB3 ASN 99 HB1 ASN 99 -2.369 -13.342 5.282 776 HD21 ASN 99 HD21 ASN 99 -3.872 -15.234 7.102 777 HD22 ASN 99 HD22 ASN 99 -2.626 -16.144 7.880 778 H ILE 100 HN ILE 100 -2.304 -10.281 4.853 779 HA ILE 100 HA ILE 100 0.282 -10.823 3.664 780 HB ILE 100 HB ILE 100 -1.726 -10.648 2.242 781 HG12 ILE 100 HG12 ILE 100 0.491 -8.651 1.763 782 HG13 ILE 100 HG11 ILE 100 0.420 -10.320 1.207 783 HG21 ILE 100 HG21 ILE 100 -1.905 -7.813 2.027 784 HG22 ILE 100 HG22 ILE 100 -2.167 -8.282 3.706 785 HG23 ILE 100 HG23 ILE 100 -3.164 -8.980 2.430 786 HD11 ILE 100 HD11 ILE 100 -1.318 -9.805 -0.336 787 HD12 ILE 100 HD12 ILE 100 -0.035 -8.613 -0.543 788 HD13 ILE 100 HD13 ILE 100 -1.505 -8.182 0.333 789 H LYS 101 HN LYS 101 -1.261 -8.182 5.423 790 HA LYS 101 HA LYS 101 0.883 -6.343 4.835 791 HB2 LYS 101 HB2 LYS 101 -1.544 -5.701 5.313 792 HB3 LYS 101 HB1 LYS 101 -1.188 -6.031 7.003 793 HG2 LYS 101 HG2 LYS 101 0.587 -4.182 5.493 794 HG3 LYS 101 HG1 LYS 101 -0.990 -3.609 6.029 795 HD2 LYS 101 HD2 LYS 101 0.993 -4.925 7.871 796 HD3 LYS 101 HD1 LYS 101 0.941 -3.183 7.606 797 HE2 LYS 101 HE2 LYS 101 -1.156 -2.971 8.612 798 HE3 LYS 101 HE1 LYS 101 -1.515 -4.691 8.421 799 HZ1 LYS 101 HZ1 LYS 101 -0.889 -4.862 10.536 800 HZ2 LYS 101 HZ2 LYS 101 -0.160 -3.336 10.555 801 HZ3 LYS 101 HZ3 LYS 101 0.702 -4.677 9.989 802 H MET 102 HN MET 102 -0.097 -8.451 7.461 803 HA MET 102 HA MET 102 1.492 -7.631 9.534 804 HB2 MET 102 HB2 MET 102 0.384 -10.224 8.666 805 HB3 MET 102 HB1 MET 102 1.742 -10.329 9.777 806 HG2 MET 102 HG2 MET 102 -0.547 -8.516 10.389 807 HG3 MET 102 HG1 MET 102 -0.681 -10.247 10.691 808 HE1 MET 102 HE1 MET 102 -0.865 -8.945 13.740 809 HE2 MET 102 HE2 MET 102 0.137 -10.349 14.107 810 HE3 MET 102 HE3 MET 102 -1.052 -10.430 12.807 811 H THR 103 HN THR 103 2.467 -9.232 6.600 812 HA THR 103 HA THR 103 5.167 -9.717 7.543 813 HB THR 103 HB THR 103 3.843 -10.132 4.857 814 HG1 THR 103 HG1 THR 103 3.142 -11.765 6.002 815 HG21 THR 103 HG21 THR 103 6.639 -10.117 5.484 816 HG22 THR 103 HG22 THR 103 5.836 -10.391 3.938 817 HG23 THR 103 HG23 THR 103 6.118 -11.741 5.037 818 H LEU 104 HN LEU 104 3.411 -7.362 5.691 819 HA LEU 104 HA LEU 104 5.769 -6.106 4.602 820 HB2 LEU 104 HB2 LEU 104 2.864 -5.322 4.619 821 HB3 LEU 104 HB1 LEU 104 4.119 -4.368 3.854 822 HG LEU 104 HG LEU 104 2.792 -6.826 2.932 823 HD11 LEU 104 HD11 LEU 104 3.483 -5.814 0.740 824 HD12 LEU 104 HD12 LEU 104 4.170 -4.480 1.666 825 HD13 LEU 104 HD13 LEU 104 2.439 -4.809 1.746 826 HD21 LEU 104 HD21 LEU 104 4.829 -7.451 1.567 827 HD22 LEU 104 HD22 LEU 104 4.882 -7.885 3.274 828 HD23 LEU 104 HD23 LEU 104 5.773 -6.479 2.693 829 H GLN 105 HN GLN 105 3.604 -5.619 7.320 830 HA GLN 105 HA GLN 105 4.200 -3.021 8.043 831 HB2 GLN 105 HB2 GLN 105 2.502 -4.393 9.171 832 HB3 GLN 105 HB1 GLN 105 3.768 -5.384 9.883 833 HG2 GLN 105 HG2 GLN 105 3.766 -4.025 11.624 834 HG3 GLN 105 HG1 GLN 105 4.410 -2.759 10.579 835 HE21 GLN 105 HE21 GLN 105 2.167 -2.374 8.954 836 HE22 GLN 105 HE22 GLN 105 0.917 -1.657 9.907 837 H GLN 106 HN GLN 106 5.930 -5.984 8.994 838 HA GLN 106 HA GLN 106 7.920 -4.689 10.507 839 HB2 GLN 106 HB2 GLN 106 9.225 -6.800 10.159 840 HB3 GLN 106 HB1 GLN 106 7.601 -7.048 10.786 841 HG2 GLN 106 HG2 GLN 106 7.393 -8.570 9.183 842 HG3 GLN 106 HG1 GLN 106 7.218 -7.203 8.084 843 HE21 GLN 106 HE21 GLN 106 8.268 -9.843 7.538 844 HE22 GLN 106 HE22 GLN 106 9.888 -9.622 6.980 845 H ILE 107 HN ILE 107 7.589 -5.349 7.079 846 HA ILE 107 HA ILE 107 10.218 -4.887 6.280 847 HB ILE 107 HB ILE 107 7.616 -5.117 5.001 848 HG12 ILE 107 HG12 ILE 107 10.333 -5.621 3.829 849 HG13 ILE 107 HG11 ILE 107 9.636 -6.674 5.059 850 HG21 ILE 107 HG21 ILE 107 8.407 -4.020 2.857 851 HG22 ILE 107 HG22 ILE 107 9.584 -3.160 3.849 852 HG23 ILE 107 HG23 ILE 107 7.858 -2.945 4.140 853 HD11 ILE 107 HD11 ILE 107 9.357 -7.279 2.560 854 HD12 ILE 107 HD12 ILE 107 8.091 -6.051 2.580 855 HD13 ILE 107 HD13 ILE 107 7.980 -7.450 3.649 856 H ILE 108 HN ILE 108 7.471 -2.588 6.135 857 HA ILE 108 HA ILE 108 8.961 -0.354 5.445 858 HB ILE 108 HB ILE 108 6.642 -0.147 7.343 859 HG12 ILE 108 HG12 ILE 108 5.871 -1.694 5.675 860 HG13 ILE 108 HG11 ILE 108 5.175 -0.119 5.313 861 HG21 ILE 108 HG21 ILE 108 6.684 2.017 6.829 862 HG22 ILE 108 HG22 ILE 108 6.747 1.678 5.099 863 HG23 ILE 108 HG23 ILE 108 8.236 1.715 6.045 864 HD11 ILE 108 HD11 ILE 108 6.407 -1.738 3.516 865 HD12 ILE 108 HD12 ILE 108 7.709 -0.632 3.955 866 HD13 ILE 108 HD13 ILE 108 6.186 0.001 3.331 867 H SER 109 HN SER 109 8.408 -1.833 8.533 868 HA SER 109 HA SER 109 9.509 0.218 10.142 869 HB2 SER 109 HB2 SER 109 8.079 -1.412 11.167 870 HB3 SER 109 HB1 SER 109 9.098 -2.740 10.611 871 HG SER 109 HG SER 109 9.870 -2.499 12.580 872 H ARG 110 HN ARG 110 10.885 -2.273 8.185 873 HA ARG 110 HA ARG 110 13.514 -1.904 9.418 874 HB2 ARG 110 HB2 ARG 110 14.076 -3.989 8.714 875 HB3 ARG 110 HB1 ARG 110 12.333 -4.204 8.695 876 HG2 ARG 110 HG2 ARG 110 12.299 -3.743 6.296 877 HG3 ARG 110 HG1 ARG 110 14.048 -3.514 6.315 878 HD2 ARG 110 HD2 ARG 110 13.094 -6.042 7.478 879 HD3 ARG 110 HD1 ARG 110 12.814 -5.858 5.747 880 HE ARG 110 HE ARG 110 15.483 -5.170 6.452 881 HH11 ARG 110 HH11 ARG 110 13.369 -7.890 5.893 882 HH12 ARG 110 HH12 ARG 110 14.655 -8.954 5.432 883 HH21 ARG 110 HH21 ARG 110 17.175 -6.568 5.845 884 HH22 ARG 110 HH22 ARG 110 16.816 -8.204 5.405 885 H TYR 111 HN TYR 111 11.880 -1.747 6.260 886 HA TYR 111 HA TYR 111 14.087 -0.864 4.774 887 HB2 TYR 111 HB2 TYR 111 11.136 -0.831 4.423 888 HB3 TYR 111 HB1 TYR 111 12.071 0.260 3.407 889 HD1 TYR 111 HD2 TYR 111 13.388 -2.992 4.510 890 HD2 TYR 111 HD1 TYR 111 11.493 -0.860 1.354 891 HE1 TYR 111 HE2 TYR 111 13.875 -4.848 2.972 892 HE2 TYR 111 HE1 TYR 111 11.973 -2.710 -0.193 893 HH TYR 111 HH TYR 111 14.108 -4.825 0.075 894 H LYS 112 HN LYS 112 11.788 0.873 6.770 895 HA LYS 112 HA LYS 112 12.305 3.483 5.940 896 HB2 LYS 112 HB2 LYS 112 11.344 2.226 8.475 897 HB3 LYS 112 HB1 LYS 112 11.691 3.950 8.448 898 HG2 LYS 112 HG2 LYS 112 10.035 3.024 6.224 899 HG3 LYS 112 HG1 LYS 112 9.305 2.814 7.819 900 HD2 LYS 112 HD2 LYS 112 8.712 4.977 6.902 901 HD3 LYS 112 HD1 LYS 112 9.753 5.171 8.313 902 HE2 LYS 112 HE2 LYS 112 11.691 5.376 6.738 903 HE3 LYS 112 HE1 LYS 112 10.528 5.421 5.414 904 HZ1 LYS 112 HZ1 LYS 112 11.419 7.602 6.570 905 HZ2 LYS 112 HZ2 LYS 112 10.125 7.296 7.615 906 HZ3 LYS 112 HZ3 LYS 112 9.844 7.497 5.959 907 H ASP 113 HN ASP 113 13.717 1.689 8.658 908 HA ASP 113 HA ASP 113 15.631 3.694 9.260 909 HB2 ASP 113 HB2 ASP 113 14.725 2.040 10.904 910 HB3 ASP 113 HB1 ASP 113 15.685 0.801 10.101 911 H ALA 114 HN ALA 114 15.532 1.734 6.656 912 HA ALA 114 HA ALA 114 18.463 1.514 6.519 913 HB1 ALA 114 HB1 ALA 114 18.280 -0.517 5.578 914 HB2 ALA 114 HB2 ALA 114 16.847 -0.073 4.648 915 HB3 ALA 114 HB3 ALA 114 16.694 -0.505 6.351 916 H ASP 115 HN ASP 115 15.560 2.604 4.912 917 HA ASP 115 HA ASP 115 16.590 3.151 2.371 918 HB2 ASP 115 HB2 ASP 115 14.247 4.014 3.956 919 HB3 ASP 115 HB1 ASP 115 14.730 5.107 2.661 920 H2 PRO 59 HT1 PRO 59 -21.995 -3.487 -8.564 921 H3 PRO 59 HT2 PRO 59 -23.186 -3.725 -7.455 922 HA PRO 59 HA PRO 59 -22.821 -1.848 -6.730 923 HB2 PRO 59 HB2 PRO 59 -20.105 -2.152 -5.755 924 HB3 PRO 59 HB1 PRO 59 -21.616 -2.063 -4.841 925 HG2 PRO 59 HG2 PRO 59 -20.149 -4.344 -5.068 926 HG3 PRO 59 HG1 PRO 59 -21.908 -4.333 -4.846 927 HD2 PRO 59 HD2 PRO 59 -20.318 -4.698 -7.369 928 HD3 PRO 59 HD1 PRO 59 -21.746 -5.588 -6.805 929 H GLY 60 HN GLY 60 -21.989 0.203 -7.180 930 HA2 GLY 60 HA2 GLY 60 -19.655 0.404 -8.927 931 HA3 GLY 60 HA1 GLY 60 -21.189 0.956 -9.583 932 H GLU 61 HN GLU 61 -20.327 1.302 -6.209 933 HA GLU 61 HA GLU 61 -19.525 4.068 -6.550 934 HB2 GLU 61 HB2 GLU 61 -21.973 4.219 -6.514 935 HB3 GLU 61 HB1 GLU 61 -22.012 3.334 -4.995 936 HG2 GLU 61 HG2 GLU 61 -21.164 5.112 -3.785 937 HG3 GLU 61 HG1 GLU 61 -20.470 5.882 -5.211 938 H GLU 62 HN GLU 62 -18.560 4.973 -4.684 939 HA GLU 62 HA GLU 62 -17.086 3.179 -3.116 940 HB2 GLU 62 HB2 GLU 62 -16.382 5.496 -3.603 941 HB3 GLU 62 HB1 GLU 62 -17.669 6.094 -2.565 942 HG2 GLU 62 HG2 GLU 62 -15.517 6.131 -1.434 943 HG3 GLU 62 HG1 GLU 62 -16.643 5.032 -0.640 944 H GLU 63 HN GLU 63 -17.099 2.981 -0.758 945 HA GLU 63 HA GLU 63 -19.572 2.116 0.224 946 HB2 GLU 63 HB2 GLU 63 -16.928 2.706 1.518 947 HB3 GLU 63 HB1 GLU 63 -18.318 2.258 2.497 948 HG2 GLU 63 HG2 GLU 63 -18.041 0.436 0.303 949 HG3 GLU 63 HG1 GLU 63 -16.519 0.564 1.182 950 H ASP 64 HN ASP 64 -17.694 4.687 1.802 951 HA ASP 64 HA ASP 64 -19.602 6.721 1.582 952 HB2 ASP 64 HB2 ASP 64 -20.180 4.728 3.619 953 HB3 ASP 64 HB1 ASP 64 -19.995 6.334 4.316 954 H ASP 65 HN ASP 65 -17.237 5.223 3.742 955 HA ASP 65 HA ASP 65 -15.107 6.181 4.139 956 HB2 ASP 65 HB2 ASP 65 -15.733 8.269 2.821 957 HB3 ASP 65 HB1 ASP 65 -16.430 8.890 4.315 958 H GLU 66 HN GLU 66 -17.427 5.257 5.628 959 HA GLU 66 HA GLU 66 -16.412 5.762 8.260 960 HB2 GLU 66 HB2 GLU 66 -18.489 6.587 9.225 961 HB3 GLU 66 HB1 GLU 66 -17.932 7.680 7.965 962 HG2 GLU 66 HG2 GLU 66 -19.695 7.255 6.620 963 HG3 GLU 66 HG1 GLU 66 -19.828 5.575 7.138 964 H ARG 67 HN ARG 67 -17.167 3.605 6.168 965 HA ARG 67 HA ARG 67 -17.965 1.657 8.097 966 HB2 ARG 67 HB2 ARG 67 -19.823 2.379 5.829 967 HB3 ARG 67 HB1 ARG 67 -19.921 0.857 6.703 968 HG2 ARG 67 HG2 ARG 67 -20.227 2.187 8.803 969 HG3 ARG 67 HG1 ARG 67 -20.357 3.626 7.790 970 HD2 ARG 67 HD2 ARG 67 -22.460 3.148 7.209 971 HD3 ARG 67 HD1 ARG 67 -22.069 1.460 6.879 972 HE ARG 67 HE ARG 67 -23.206 2.539 9.286 973 HH11 ARG 67 HH11 ARG 67 -21.358 -0.092 7.929 974 HH12 ARG 67 HH12 ARG 67 -21.791 -1.207 9.182 975 HH21 ARG 67 HH21 ARG 67 -23.775 1.075 10.935 976 HH22 ARG 67 HH22 ARG 67 -23.163 -0.545 10.888 977 H GLY 68 HN GLY 68 -16.050 0.679 7.588 978 HA2 GLY 68 HA2 GLY 68 -15.052 -1.163 6.497 979 HA3 GLY 68 HA1 GLY 68 -16.035 -0.827 5.076 980 H ALA 69 HN ALA 69 -14.823 2.048 6.186 981 HA ALA 69 HA ALA 69 -12.213 1.900 4.954 982 HB1 ALA 69 HB1 ALA 69 -13.888 2.247 3.082 983 HB2 ALA 69 HB2 ALA 69 -12.590 3.436 3.199 984 HB3 ALA 69 HB3 ALA 69 -14.204 3.831 3.791 985 H ASP 70 HN ASP 70 -12.497 2.349 7.509 986 HA ASP 70 HA ASP 70 -11.586 5.038 7.866 987 HB2 ASP 70 HB2 ASP 70 -14.221 5.000 7.861 988 HB3 ASP 70 HB1 ASP 70 -14.007 4.414 9.507 989 H ALA 71 HN ALA 71 -10.346 2.617 8.340 990 HA ALA 71 HA ALA 71 -9.728 2.866 11.151 991 HB1 ALA 71 HB1 ALA 71 -11.673 1.259 11.036 992 HB2 ALA 71 HB2 ALA 71 -10.222 0.629 11.825 993 HB3 ALA 71 HB3 ALA 71 -10.609 0.158 10.163 994 H THR 72 HN THR 72 -8.046 3.555 9.234 995 HA THR 72 HA THR 72 -6.007 1.484 9.365 996 HB THR 72 HB THR 72 -5.573 2.273 6.827 997 HG1 THR 72 HG1 THR 72 -7.612 2.250 5.799 998 HG21 THR 72 HG21 THR 72 -6.879 -0.048 8.037 999 HG22 THR 72 HG22 THR 72 -5.558 0.044 6.872 1000 HG23 THR 72 HG23 THR 72 -7.227 0.208 6.327 1001 H TRP 73 HN TRP 73 -6.864 4.810 9.175 1002 HA TRP 73 HA TRP 73 -4.165 5.697 8.637 1003 HB2 TRP 73 HB2 TRP 73 -6.292 7.556 9.616 1004 HB3 TRP 73 HB1 TRP 73 -5.003 7.845 8.455 1005 HD1 TRP 73 HD1 TRP 73 -8.163 8.458 7.995 1006 HE1 TRP 73 HE1 TRP 73 -9.304 7.471 5.912 1007 HE3 TRP 73 HE3 TRP 73 -4.879 4.709 6.989 1008 HZ2 TRP 73 HZ2 TRP 73 -8.853 5.368 4.085 1009 HZ3 TRP 73 HZ3 TRP 73 -5.289 3.244 5.059 1010 HH2 TRP 73 HH2 TRP 73 -7.241 3.551 3.654 1011 H ASP 74 HN ASP 74 -5.236 4.262 11.246 1012 HA ASP 74 HA ASP 74 -3.743 6.030 13.063 1013 HB2 ASP 74 HB2 ASP 74 -6.341 5.811 13.362 1014 HB3 ASP 74 HB1 ASP 74 -5.932 4.264 14.096 1015 H LEU 75 HN LEU 75 -3.558 3.212 11.480 1016 HA LEU 75 HA LEU 75 -2.037 1.947 13.654 1017 HB2 LEU 75 HB2 LEU 75 -2.631 -0.255 12.518 1018 HB3 LEU 75 HB1 LEU 75 -3.869 0.527 13.479 1019 HG LEU 75 HG LEU 75 -4.650 -0.471 11.319 1020 HD11 LEU 75 HD11 LEU 75 -5.527 1.704 12.636 1021 HD12 LEU 75 HD12 LEU 75 -6.338 1.001 11.234 1022 HD13 LEU 75 HD13 LEU 75 -5.255 2.376 11.031 1023 HD21 LEU 75 HD21 LEU 75 -4.265 0.816 9.259 1024 HD22 LEU 75 HD22 LEU 75 -2.780 0.096 9.891 1025 HD23 LEU 75 HD23 LEU 75 -3.101 1.816 10.127 1026 H ASP 76 HN ASP 76 -1.768 3.451 10.770 1027 HA ASP 76 HA ASP 76 0.043 1.700 9.454 1028 HB2 ASP 76 HB2 ASP 76 0.539 3.944 8.180 1029 HB3 ASP 76 HB1 ASP 76 -0.959 3.075 7.909 1030 H LEU 77 HN LEU 77 0.336 4.671 11.288 1031 HA LEU 77 HA LEU 77 3.032 5.132 11.119 1032 HB2 LEU 77 HB2 LEU 77 1.407 5.563 13.609 1033 HB3 LEU 77 HB1 LEU 77 2.804 6.478 13.069 1034 HG LEU 77 HG LEU 77 1.076 7.900 12.544 1035 HD11 LEU 77 HD11 LEU 77 0.822 7.969 10.170 1036 HD12 LEU 77 HD12 LEU 77 1.205 6.253 10.035 1037 HD13 LEU 77 HD13 LEU 77 2.449 7.397 10.539 1038 HD21 LEU 77 HD21 LEU 77 -0.515 5.634 12.782 1039 HD22 LEU 77 HD22 LEU 77 -0.819 6.254 11.161 1040 HD23 LEU 77 HD23 LEU 77 -1.052 7.299 12.563 1041 H LEU 78 HN LEU 78 4.319 5.107 13.435 1042 HA LEU 78 HA LEU 78 5.532 3.865 14.902 1043 HB2 LEU 78 HB2 LEU 78 3.313 1.828 14.698 1044 HB3 LEU 78 HB1 LEU 78 4.537 1.917 15.949 1045 HG LEU 78 HG LEU 78 3.397 4.390 16.145 1046 HD11 LEU 78 HD11 LEU 78 1.363 4.469 15.275 1047 HD12 LEU 78 HD12 LEU 78 0.887 3.058 16.219 1048 HD13 LEU 78 HD13 LEU 78 1.582 2.850 14.612 1049 HD21 LEU 78 HD21 LEU 78 2.086 2.219 17.668 1050 HD22 LEU 78 HD22 LEU 78 2.840 3.710 18.233 1051 HD23 LEU 78 HD23 LEU 78 3.842 2.330 17.784 1052 H LEU 79 HN LEU 79 6.671 3.783 12.647 1053 HA LEU 79 HA LEU 79 6.903 1.038 11.667 1054 HB2 LEU 79 HB2 LEU 79 8.114 3.599 10.622 1055 HB3 LEU 79 HB1 LEU 79 8.254 2.026 9.860 1056 HG LEU 79 HG LEU 79 5.605 3.387 10.321 1057 HD11 LEU 79 HD11 LEU 79 6.843 4.850 8.902 1058 HD12 LEU 79 HD12 LEU 79 5.724 3.938 7.889 1059 HD13 LEU 79 HD13 LEU 79 7.432 3.501 7.931 1060 HD21 LEU 79 HD21 LEU 79 5.264 1.783 8.206 1061 HD22 LEU 79 HD22 LEU 79 5.007 1.253 9.869 1062 HD23 LEU 79 HD23 LEU 79 6.525 0.883 9.050 1063 H THR 80 HN THR 80 9.318 3.610 12.192 1064 HA THR 80 HA THR 80 10.789 2.144 14.116 1065 HB THR 80 HB THR 80 11.449 0.728 12.300 1066 HG1 THR 80 HG1 THR 80 13.530 2.610 12.690 1067 HG21 THR 80 HG21 THR 80 10.919 2.046 10.378 1068 HG22 THR 80 HG22 THR 80 12.627 1.610 10.312 1069 HG23 THR 80 HG23 THR 80 12.149 3.237 10.799 1070 H ASN 81 HN ASN 81 10.215 4.425 14.783 1071 HA ASN 81 HA ASN 81 11.660 6.604 13.649 1072 HB2 ASN 81 HB2 ASN 81 10.479 6.474 16.427 1073 HB3 ASN 81 HB1 ASN 81 10.797 7.912 15.462 1074 HD21 ASN 81 HD21 ASN 81 8.327 7.322 16.616 1075 HD22 ASN 81 HD22 ASN 81 7.182 7.047 15.352 1076 H PHE 82 HN PHE 82 12.261 4.322 16.235 1077 HA PHE 82 HA PHE 82 14.981 5.404 16.477 1078 HB2 PHE 82 HB2 PHE 82 13.673 6.200 18.406 1079 HB3 PHE 82 HB1 PHE 82 13.244 4.539 18.799 1080 HD1 PHE 82 HD1 PHE 82 16.127 6.844 18.456 1081 HD2 PHE 82 HD2 PHE 82 14.629 3.238 20.148 1082 HE1 PHE 82 HE1 PHE 82 18.157 6.652 19.833 1083 HE2 PHE 82 HE2 PHE 82 16.656 3.039 21.529 1084 HZ PHE 82 HZ PHE 82 18.423 4.748 21.373 1085 H SER 83 HN SER 83 12.836 2.678 17.261 1086 HA SER 83 HA SER 83 14.890 0.793 17.686 1087 HB2 SER 83 HB2 SER 83 12.087 0.195 16.720 1088 HB3 SER 83 HB1 SER 83 13.162 -0.877 17.618 1089 HG SER 83 HG SER 83 11.631 0.073 18.997 1090 H GLY 84 HN GLY 84 14.399 -1.381 16.129 1091 HA2 GLY 84 HA2 GLY 84 14.514 -0.658 13.329 1092 HA3 GLY 84 HA1 GLY 84 16.043 -1.206 13.998 1093 HA PRO 85 HA PRO 85 13.946 -4.999 12.465 1094 HB2 PRO 85 HB2 PRO 85 16.233 -6.278 11.761 1095 HB3 PRO 85 HB1 PRO 85 15.424 -5.111 10.708 1096 HG2 PRO 85 HG2 PRO 85 17.787 -4.722 12.505 1097 HG3 PRO 85 HG1 PRO 85 17.534 -4.142 10.848 1098 HD2 PRO 85 HD2 PRO 85 17.192 -2.556 13.017 1099 HD3 PRO 85 HD1 PRO 85 16.233 -2.367 11.535 Start of MODEL 11 1 H2 PRO 1 HT1 PRO 1 1.277 -13.147 7.473 2 H3 PRO 1 HT2 PRO 1 1.900 -13.333 8.982 3 HA PRO 1 HA PRO 1 2.817 -14.967 8.047 4 HB2 PRO 1 HB2 PRO 1 0.914 -16.930 8.440 5 HB3 PRO 1 HB1 PRO 1 1.926 -16.230 9.710 6 HG2 PRO 1 HG2 PRO 1 -0.892 -15.943 9.387 7 HG3 PRO 1 HG1 PRO 1 0.142 -15.164 10.594 8 HD2 PRO 1 HD2 PRO 1 -0.860 -14.106 7.987 9 HD3 PRO 1 HD1 PRO 1 -0.514 -13.240 9.498 10 H SER 2 HN SER 2 1.508 -13.529 5.931 11 HA SER 2 HA SER 2 1.462 -15.603 3.942 12 HB2 SER 2 HB2 SER 2 -0.751 -15.397 3.179 13 HB3 SER 2 HB1 SER 2 -0.921 -15.434 4.934 14 HG SER 2 HG SER 2 -1.153 -13.253 3.170 15 H HIS 3 HN HIS 3 1.706 -14.815 1.827 16 HA HIS 3 HA HIS 3 2.290 -11.935 1.655 17 HB2 HIS 3 HB2 HIS 3 3.597 -14.087 -0.005 18 HB3 HIS 3 HB1 HIS 3 4.077 -12.400 0.135 19 HD1 HIS 3 HD1 HIS 3 6.066 -14.692 0.702 20 HD2 HIS 3 HD2 HIS 3 3.806 -12.770 3.612 21 HE1 HIS 3 HE1 HIS 3 7.312 -15.038 2.859 22 HE2 HIS 3 HE2 HIS 3 5.970 -13.794 4.590 23 H SER 4 HN SER 4 1.135 -14.747 -0.097 24 HA SER 4 HA SER 4 0.150 -13.067 -2.247 25 HB2 SER 4 HB2 SER 4 -0.520 -15.112 -3.361 26 HB3 SER 4 HB1 SER 4 1.141 -15.275 -2.780 27 HG SER 4 HG SER 4 -0.134 -17.124 -2.305 28 H GLY 5 HN GLY 5 -1.833 -12.408 -2.510 29 HA2 GLY 5 HA2 GLY 5 -4.098 -13.663 -1.243 30 HA3 GLY 5 HA1 GLY 5 -3.689 -12.081 -0.584 31 H ALA 6 HN ALA 6 -6.069 -12.002 -1.582 32 HA ALA 6 HA ALA 6 -5.809 -11.187 -4.389 33 HB1 ALA 6 HB1 ALA 6 -8.330 -11.265 -4.377 34 HB2 ALA 6 HB2 ALA 6 -8.213 -12.007 -2.780 35 HB3 ALA 6 HB3 ALA 6 -7.508 -12.814 -4.182 36 H ALA 7 HN ALA 7 -6.349 -9.190 -5.082 37 HA ALA 7 HA ALA 7 -7.458 -7.262 -3.224 38 HB1 ALA 7 HB1 ALA 7 -4.717 -6.903 -4.422 39 HB2 ALA 7 HB2 ALA 7 -5.089 -7.153 -2.716 40 HB3 ALA 7 HB3 ALA 7 -5.608 -5.677 -3.524 41 H ILE 8 HN ILE 8 -7.868 -5.142 -4.280 42 HA ILE 8 HA ILE 8 -8.076 -5.330 -7.196 43 HB ILE 8 HB ILE 8 -10.343 -4.557 -5.359 44 HG12 ILE 8 HG12 ILE 8 -10.625 -6.684 -7.391 45 HG13 ILE 8 HG11 ILE 8 -9.593 -7.061 -6.014 46 HG21 ILE 8 HG21 ILE 8 -11.458 -4.693 -7.801 47 HG22 ILE 8 HG22 ILE 8 -9.843 -4.139 -8.241 48 HG23 ILE 8 HG23 ILE 8 -10.821 -3.198 -7.115 49 HD11 ILE 8 HD11 ILE 8 -11.583 -7.776 -5.202 50 HD12 ILE 8 HD12 ILE 8 -12.511 -6.593 -6.126 51 HD13 ILE 8 HD13 ILE 8 -11.644 -6.095 -4.671 52 H PHE 9 HN PHE 9 -7.997 -3.411 -8.290 53 HA PHE 9 HA PHE 9 -7.918 -0.915 -6.795 54 HB2 PHE 9 HB2 PHE 9 -5.584 -1.683 -6.790 55 HB3 PHE 9 HB1 PHE 9 -5.622 -1.818 -8.546 56 HD1 PHE 9 HD1 PHE 9 -5.955 0.243 -9.908 57 HD2 PHE 9 HD2 PHE 9 -5.125 0.364 -5.740 58 HE1 PHE 9 HE1 PHE 9 -5.255 2.599 -10.119 59 HE2 PHE 9 HE2 PHE 9 -4.428 2.717 -5.934 60 HZ PHE 9 HZ PHE 9 -4.492 3.837 -8.130 61 H GLU 10 HN GLU 10 -8.527 0.860 -7.988 62 HA GLU 10 HA GLU 10 -9.733 1.934 -9.591 63 HB2 GLU 10 HB2 GLU 10 -7.358 0.807 -10.906 64 HB3 GLU 10 HB1 GLU 10 -8.654 1.256 -12.003 65 HG2 GLU 10 HG2 GLU 10 -8.683 3.500 -11.075 66 HG3 GLU 10 HG1 GLU 10 -7.397 3.058 -9.952 67 H LYS 11 HN LYS 11 -10.870 -0.492 -8.762 68 HA LYS 11 HA LYS 11 -12.631 -1.824 -9.288 69 HB2 LYS 11 HB2 LYS 11 -12.841 -0.768 -12.066 70 HB3 LYS 11 HB1 LYS 11 -14.111 -1.135 -10.908 71 HG2 LYS 11 HG2 LYS 11 -13.181 0.909 -9.614 72 HG3 LYS 11 HG1 LYS 11 -12.433 1.327 -11.157 73 HD2 LYS 11 HD2 LYS 11 -14.405 1.881 -12.106 74 HD3 LYS 11 HD1 LYS 11 -15.278 0.579 -11.296 75 HE2 LYS 11 HE2 LYS 11 -14.314 2.765 -9.566 76 HE3 LYS 11 HE1 LYS 11 -15.588 3.191 -10.707 77 HZ1 LYS 11 HZ1 LYS 11 -16.709 1.069 -9.793 78 HZ2 LYS 11 HZ2 LYS 11 -16.768 2.490 -8.878 79 HZ3 LYS 11 HZ3 LYS 11 -15.665 1.272 -8.478 80 H VAL 12 HN VAL 12 -9.723 -2.324 -10.233 81 HA VAL 12 HA VAL 12 -10.391 -4.491 -12.122 82 HB VAL 12 HB VAL 12 -7.624 -3.356 -11.779 83 HG11 VAL 12 HG11 VAL 12 -8.452 -5.600 -13.021 84 HG12 VAL 12 HG12 VAL 12 -7.036 -4.673 -13.512 85 HG13 VAL 12 HG13 VAL 12 -8.572 -4.444 -14.347 86 HG21 VAL 12 HG21 VAL 12 -9.919 -2.174 -13.190 87 HG22 VAL 12 HG22 VAL 12 -8.435 -2.293 -14.135 88 HG23 VAL 12 HG23 VAL 12 -8.437 -1.422 -12.601 89 H SER 13 HN SER 13 -10.340 -6.441 -11.195 90 HA SER 13 HA SER 13 -9.009 -6.768 -8.655 91 HB2 SER 13 HB2 SER 13 -10.050 -8.996 -8.619 92 HB3 SER 13 HB1 SER 13 -11.234 -7.731 -8.948 93 HG SER 13 HG SER 13 -10.688 -9.868 -10.408 94 H GLY 14 HN GLY 14 -7.571 -8.418 -8.141 95 HA2 GLY 14 HA2 GLY 14 -6.235 -10.010 -10.087 96 HA3 GLY 14 HA1 GLY 14 -5.300 -8.571 -9.696 97 H ILE 15 HN ILE 15 -3.919 -10.629 -9.055 98 HA ILE 15 HA ILE 15 -4.527 -11.286 -6.249 99 HB ILE 15 HB ILE 15 -2.429 -12.706 -7.866 100 HG12 ILE 15 HG12 ILE 15 -5.357 -13.464 -7.730 101 HG13 ILE 15 HG11 ILE 15 -4.556 -12.791 -9.146 102 HG21 ILE 15 HG21 ILE 15 -3.330 -14.574 -6.270 103 HG22 ILE 15 HG22 ILE 15 -3.953 -13.207 -5.347 104 HG23 ILE 15 HG23 ILE 15 -2.220 -13.346 -5.657 105 HD11 ILE 15 HD11 ILE 15 -4.750 -15.499 -8.320 106 HD12 ILE 15 HD12 ILE 15 -3.050 -15.027 -8.315 107 HD13 ILE 15 HD13 ILE 15 -4.015 -14.835 -9.779 108 H ILE 16 HN ILE 16 -3.238 -10.605 -4.696 109 HA ILE 16 HA ILE 16 -0.904 -8.999 -5.447 110 HB ILE 16 HB ILE 16 -2.646 -7.818 -4.238 111 HG12 ILE 16 HG12 ILE 16 -0.493 -8.187 -2.190 112 HG13 ILE 16 HG11 ILE 16 -0.093 -7.511 -3.765 113 HG21 ILE 16 HG21 ILE 16 -3.708 -9.633 -3.084 114 HG22 ILE 16 HG22 ILE 16 -3.192 -8.426 -1.903 115 HG23 ILE 16 HG23 ILE 16 -2.262 -9.909 -2.107 116 HD11 ILE 16 HD11 ILE 16 -1.601 -6.342 -1.526 117 HD12 ILE 16 HD12 ILE 16 -2.211 -5.992 -3.146 118 HD13 ILE 16 HD13 ILE 16 -0.549 -5.576 -2.718 119 H ALA 17 HN ALA 17 1.121 -9.655 -4.854 120 HA ALA 17 HA ALA 17 1.401 -11.560 -2.641 121 HB1 ALA 17 HB1 ALA 17 2.711 -12.062 -5.297 122 HB2 ALA 17 HB2 ALA 17 1.174 -12.791 -4.824 123 HB3 ALA 17 HB3 ALA 17 2.637 -13.138 -3.900 124 H ILE 18 HN ILE 18 3.368 -11.536 -1.584 125 HA ILE 18 HA ILE 18 5.085 -9.235 -2.166 126 HB ILE 18 HB ILE 18 5.521 -11.089 0.150 127 HG12 ILE 18 HG12 ILE 18 3.187 -10.651 0.385 128 HG13 ILE 18 HG11 ILE 18 4.015 -9.555 1.487 129 HG21 ILE 18 HG21 ILE 18 5.939 -8.135 -0.262 130 HG22 ILE 18 HG22 ILE 18 7.182 -9.386 -0.271 131 HG23 ILE 18 HG23 ILE 18 6.310 -9.021 1.218 132 HD11 ILE 18 HD11 ILE 18 3.833 -7.836 -0.393 133 HD12 ILE 18 HD12 ILE 18 2.368 -8.252 0.495 134 HD13 ILE 18 HD13 ILE 18 2.656 -8.937 -1.105 135 H ASN 19 HN ASN 19 7.267 -9.410 -2.603 136 HA ASN 19 HA ASN 19 8.283 -12.119 -3.185 137 HB2 ASN 19 HB2 ASN 19 7.740 -10.260 -5.081 138 HB3 ASN 19 HB1 ASN 19 9.414 -9.858 -4.711 139 HD21 ASN 19 HD21 ASN 19 11.029 -11.398 -5.086 140 HD22 ASN 19 HD22 ASN 19 10.775 -12.733 -6.154 141 H GLU 20 HN GLU 20 9.759 -12.621 -1.752 142 HA GLU 20 HA GLU 20 11.652 -10.542 -0.897 143 HB2 GLU 20 HB2 GLU 20 10.813 -13.065 0.546 144 HB3 GLU 20 HB1 GLU 20 12.034 -11.937 1.119 145 HG2 GLU 20 HG2 GLU 20 10.109 -10.192 0.919 146 HG3 GLU 20 HG1 GLU 20 9.076 -11.620 0.984 147 H ASP 21 HN ASP 21 11.732 -12.141 -3.295 148 HA ASP 21 HA ASP 21 14.051 -13.878 -2.819 149 HB2 ASP 21 HB2 ASP 21 11.919 -13.769 -4.884 150 HB3 ASP 21 HB1 ASP 21 13.516 -14.279 -5.423 151 H VAL 22 HN VAL 22 13.073 -10.888 -4.263 152 HA VAL 22 HA VAL 22 15.673 -10.605 -5.602 153 HB VAL 22 HB VAL 22 14.277 -8.273 -6.126 154 HG11 VAL 22 HG11 VAL 22 15.519 -9.269 -7.825 155 HG12 VAL 22 HG12 VAL 22 13.851 -9.430 -8.375 156 HG13 VAL 22 HG13 VAL 22 14.681 -10.813 -7.662 157 HG21 VAL 22 HG21 VAL 22 12.063 -8.888 -6.843 158 HG22 VAL 22 HG22 VAL 22 12.245 -9.290 -5.135 159 HG23 VAL 22 HG23 VAL 22 12.328 -10.562 -6.355 160 H SER 23 HN SER 23 16.679 -8.362 -5.442 161 HA SER 23 HA SER 23 17.488 -7.837 -2.866 162 HB2 SER 23 HB2 SER 23 17.658 -5.350 -4.134 163 HB3 SER 23 HB1 SER 23 18.904 -6.596 -4.083 164 HG SER 23 HG SER 23 18.623 -6.800 -6.143 165 HA PRO 24 HA PRO 24 14.287 -4.397 -2.202 166 HB2 PRO 24 HB2 PRO 24 12.705 -3.524 -4.175 167 HB3 PRO 24 HB1 PRO 24 14.374 -2.953 -4.019 168 HG2 PRO 24 HG2 PRO 24 13.247 -5.026 -5.861 169 HG3 PRO 24 HG1 PRO 24 14.445 -3.764 -6.197 170 HD2 PRO 24 HD2 PRO 24 15.075 -6.391 -5.681 171 HD3 PRO 24 HD1 PRO 24 16.173 -5.027 -5.396 172 H ALA 25 HN ALA 25 13.409 -6.290 -1.136 173 HA ALA 25 HA ALA 25 11.587 -8.095 -2.099 174 HB1 ALA 25 HB1 ALA 25 11.342 -8.727 0.022 175 HB2 ALA 25 HB2 ALA 25 10.809 -7.126 0.533 176 HB3 ALA 25 HB3 ALA 25 12.532 -7.482 0.398 177 H GLU 26 HN GLU 26 10.174 -7.346 -3.544 178 HA GLU 26 HA GLU 26 8.227 -5.334 -2.648 179 HB2 GLU 26 HB2 GLU 26 7.925 -4.862 -5.099 180 HB3 GLU 26 HB1 GLU 26 9.483 -4.404 -4.410 181 HG2 GLU 26 HG2 GLU 26 9.876 -5.390 -6.538 182 HG3 GLU 26 HG1 GLU 26 10.423 -6.527 -5.308 183 H LEU 27 HN LEU 27 6.110 -5.457 -3.923 184 HA LEU 27 HA LEU 27 5.295 -8.244 -4.189 185 HB2 LEU 27 HB2 LEU 27 3.195 -7.741 -3.149 186 HB3 LEU 27 HB1 LEU 27 4.473 -7.177 -2.092 187 HG LEU 27 HG LEU 27 4.067 -4.875 -3.247 188 HD11 LEU 27 HD11 LEU 27 1.877 -6.518 -4.281 189 HD12 LEU 27 HD12 LEU 27 2.534 -4.993 -4.875 190 HD13 LEU 27 HD13 LEU 27 1.361 -4.994 -3.558 191 HD21 LEU 27 HD21 LEU 27 1.742 -5.375 -1.572 192 HD22 LEU 27 HD22 LEU 27 3.129 -4.320 -1.300 193 HD23 LEU 27 HD23 LEU 27 3.230 -6.032 -0.891 194 H THR 28 HN THR 28 3.855 -8.717 -5.860 195 HA THR 28 HA THR 28 3.300 -6.444 -7.632 196 HB THR 28 HB THR 28 4.777 -8.819 -8.182 197 HG1 THR 28 HG1 THR 28 5.472 -7.629 -9.810 198 HG21 THR 28 HG21 THR 28 2.603 -9.726 -8.984 199 HG22 THR 28 HG22 THR 28 3.834 -9.558 -10.236 200 HG23 THR 28 HG23 THR 28 2.534 -8.373 -10.114 201 H TRP 29 HN TRP 29 1.423 -6.417 -8.765 202 HA TRP 29 HA TRP 29 -0.666 -8.220 -7.726 203 HB2 TRP 29 HB2 TRP 29 -0.835 -5.923 -6.871 204 HB3 TRP 29 HB1 TRP 29 -0.894 -5.314 -8.522 205 HD1 TRP 29 HD1 TRP 29 -3.003 -7.244 -5.975 206 HE1 TRP 29 HE1 TRP 29 -5.461 -7.130 -6.711 207 HE3 TRP 29 HE3 TRP 29 -2.369 -5.003 -10.525 208 HZ2 TRP 29 HZ2 TRP 29 -6.939 -6.211 -8.918 209 HZ3 TRP 29 HZ3 TRP 29 -4.379 -4.548 -11.889 210 HH2 TRP 29 HH2 TRP 29 -6.608 -5.139 -11.103 211 H ARG 30 HN ARG 30 -1.194 -9.622 -9.294 212 HA ARG 30 HA ARG 30 -1.276 -8.675 -12.072 213 HB2 ARG 30 HB2 ARG 30 0.061 -10.734 -11.431 214 HB3 ARG 30 HB1 ARG 30 -1.474 -11.531 -11.120 215 HG2 ARG 30 HG2 ARG 30 -1.933 -10.614 -13.601 216 HG3 ARG 30 HG1 ARG 30 -0.183 -10.831 -13.672 217 HD2 ARG 30 HD2 ARG 30 -0.316 -13.098 -13.433 218 HD3 ARG 30 HD1 ARG 30 -1.805 -13.020 -12.492 219 HE ARG 30 HE ARG 30 -3.007 -13.161 -14.437 220 HH11 ARG 30 HH11 ARG 30 0.312 -12.403 -15.206 221 HH12 ARG 30 HH12 ARG 30 0.097 -12.618 -16.911 222 HH21 ARG 30 HH21 ARG 30 -3.292 -13.445 -16.678 223 HH22 ARG 30 HH22 ARG 30 -1.949 -13.210 -17.747 224 H SER 31 HN SER 31 -3.164 -8.234 -12.993 225 HA SER 31 HA SER 31 -5.622 -8.622 -11.634 226 HB2 SER 31 HB2 SER 31 -4.692 -7.157 -13.887 227 HB3 SER 31 HB1 SER 31 -6.095 -8.096 -14.396 228 HG SER 31 HG SER 31 -7.215 -7.197 -12.588 229 H THR 32 HN THR 32 -7.489 -9.783 -12.453 230 HA THR 32 HA THR 32 -6.706 -12.343 -13.652 231 HB THR 32 HB THR 32 -9.126 -12.915 -12.726 232 HG1 THR 32 HG1 THR 32 -9.893 -11.489 -11.416 233 HG21 THR 32 HG21 THR 32 -7.925 -14.230 -11.425 234 HG22 THR 32 HG22 THR 32 -7.611 -12.867 -10.351 235 HG23 THR 32 HG23 THR 32 -6.504 -13.218 -11.679 236 H ASP 33 HN ASP 33 -8.974 -9.712 -13.877 237 HA ASP 33 HA ASP 33 -9.964 -10.789 -16.401 238 HB2 ASP 33 HB2 ASP 33 -11.276 -9.056 -14.333 239 HB3 ASP 33 HB1 ASP 33 -11.882 -9.110 -15.986 240 H GLY 34 HN GLY 34 -8.364 -8.151 -14.880 241 HA2 GLY 34 HA2 GLY 34 -8.726 -6.333 -17.104 242 HA3 GLY 34 HA1 GLY 34 -7.757 -6.046 -15.667 243 H ASP 35 HN ASP 35 -6.679 -8.938 -16.496 244 HA ASP 35 HA ASP 35 -4.751 -9.694 -17.421 245 HB2 ASP 35 HB2 ASP 35 -6.328 -9.163 -19.422 246 HB3 ASP 35 HB1 ASP 35 -5.205 -7.843 -19.733 247 H LYS 36 HN LYS 36 -4.691 -7.160 -15.815 248 HA LYS 36 HA LYS 36 -2.250 -5.957 -16.927 249 HB2 LYS 36 HB2 LYS 36 -2.691 -4.072 -15.395 250 HB3 LYS 36 HB1 LYS 36 -4.003 -4.334 -16.534 251 HG2 LYS 36 HG2 LYS 36 -5.334 -5.389 -14.831 252 HG3 LYS 36 HG1 LYS 36 -3.993 -5.305 -13.686 253 HD2 LYS 36 HD2 LYS 36 -5.474 -3.515 -13.163 254 HD3 LYS 36 HD1 LYS 36 -4.060 -2.807 -13.945 255 HE2 LYS 36 HE2 LYS 36 -6.391 -3.569 -15.632 256 HE3 LYS 36 HE1 LYS 36 -6.510 -2.117 -14.639 257 HZ1 LYS 36 HZ1 LYS 36 -5.558 -1.167 -16.420 258 HZ2 LYS 36 HZ2 LYS 36 -4.908 -2.616 -17.002 259 HZ3 LYS 36 HZ3 LYS 36 -4.119 -1.772 -15.767 260 H VAL 37 HN VAL 37 -0.669 -5.202 -15.226 261 HA VAL 37 HA VAL 37 -0.585 -6.889 -12.850 262 HB VAL 37 HB VAL 37 1.755 -6.808 -14.754 263 HG11 VAL 37 HG11 VAL 37 2.681 -7.255 -12.705 264 HG12 VAL 37 HG12 VAL 37 2.284 -8.888 -13.239 265 HG13 VAL 37 HG13 VAL 37 1.229 -8.053 -12.100 266 HG21 VAL 37 HG21 VAL 37 -0.322 -8.956 -14.355 267 HG22 VAL 37 HG22 VAL 37 1.201 -9.188 -15.214 268 HG23 VAL 37 HG23 VAL 37 0.004 -8.050 -15.832 269 H HIS 38 HN HIS 38 -0.129 -5.585 -11.190 270 HA HIS 38 HA HIS 38 1.578 -3.242 -11.700 271 HB2 HIS 38 HB2 HIS 38 -0.917 -3.040 -10.883 272 HB3 HIS 38 HB1 HIS 38 -0.216 -3.414 -9.312 273 HD1 HIS 38 HD1 HIS 38 -0.282 -1.208 -8.152 274 HD2 HIS 38 HD2 HIS 38 1.297 -0.924 -11.985 275 HE1 HIS 38 HE1 HIS 38 0.544 1.157 -8.365 276 HE2 HIS 38 HE2 HIS 38 1.573 1.281 -10.662 277 H THR 39 HN THR 39 3.547 -3.637 -11.061 278 HA THR 39 HA THR 39 4.122 -5.324 -8.708 279 HB THR 39 HB THR 39 6.070 -4.021 -10.636 280 HG1 THR 39 HG1 THR 39 4.520 -6.316 -10.921 281 HG21 THR 39 HG21 THR 39 6.349 -5.884 -8.410 282 HG22 THR 39 HG22 THR 39 7.540 -4.834 -9.177 283 HG23 THR 39 HG23 THR 39 7.150 -6.396 -9.895 284 H VAL 40 HN VAL 40 4.007 -4.148 -6.845 285 HA VAL 40 HA VAL 40 4.939 -1.375 -6.836 286 HB VAL 40 HB VAL 40 3.658 -2.910 -4.572 287 HG11 VAL 40 HG11 VAL 40 3.806 -1.048 -3.338 288 HG12 VAL 40 HG12 VAL 40 3.367 -0.005 -4.692 289 HG13 VAL 40 HG13 VAL 40 5.036 -0.546 -4.500 290 HG21 VAL 40 HG21 VAL 40 2.078 -0.871 -5.973 291 HG22 VAL 40 HG22 VAL 40 1.601 -2.451 -5.354 292 HG23 VAL 40 HG23 VAL 40 2.413 -2.324 -6.914 293 H VAL 41 HN VAL 41 7.075 -1.116 -6.509 294 HA VAL 41 HA VAL 41 8.623 -3.103 -5.190 295 HB VAL 41 HB VAL 41 9.543 -0.313 -5.824 296 HG11 VAL 41 HG11 VAL 41 11.360 -1.038 -4.725 297 HG12 VAL 41 HG12 VAL 41 11.649 -2.073 -6.121 298 HG13 VAL 41 HG13 VAL 41 10.795 -2.711 -4.714 299 HG21 VAL 41 HG21 VAL 41 8.540 -1.713 -7.753 300 HG22 VAL 41 HG22 VAL 41 9.999 -2.690 -7.589 301 HG23 VAL 41 HG23 VAL 41 10.126 -0.974 -7.977 302 H LEU 42 HN LEU 42 8.139 -3.426 -3.126 303 HA LEU 42 HA LEU 42 7.320 -1.681 -1.179 304 HB2 LEU 42 HB2 LEU 42 8.852 -4.210 -1.207 305 HB3 LEU 42 HB1 LEU 42 8.847 -3.314 0.295 306 HG LEU 42 HG LEU 42 6.360 -3.397 0.293 307 HD11 LEU 42 HD11 LEU 42 6.462 -3.883 -2.319 308 HD12 LEU 42 HD12 LEU 42 5.116 -4.411 -1.312 309 HD13 LEU 42 HD13 LEU 42 6.392 -5.549 -1.745 310 HD21 LEU 42 HD21 LEU 42 6.933 -5.061 1.676 311 HD22 LEU 42 HD22 LEU 42 8.181 -5.665 0.585 312 HD23 LEU 42 HD23 LEU 42 6.496 -6.131 0.343 313 H SER 43 HN SER 43 10.463 -2.013 -2.589 314 HA SER 43 HA SER 43 12.047 -0.850 -0.593 315 HB2 SER 43 HB2 SER 43 12.646 -1.974 -2.938 316 HB3 SER 43 HB1 SER 43 12.694 -0.287 -3.445 317 HG SER 43 HG SER 43 14.526 -1.668 -2.083 318 H THR 44 HN THR 44 10.465 0.560 -3.392 319 HA THR 44 HA THR 44 11.098 3.247 -2.710 320 HB THR 44 HB THR 44 9.054 3.578 -4.369 321 HG1 THR 44 HG1 THR 44 8.269 1.759 -4.995 322 HG21 THR 44 HG21 THR 44 11.709 2.473 -5.234 323 HG22 THR 44 HG22 THR 44 11.291 4.172 -5.009 324 HG23 THR 44 HG23 THR 44 10.536 3.241 -6.303 325 H ILE 45 HN ILE 45 8.765 0.952 -1.683 326 HA ILE 45 HA ILE 45 6.801 2.881 -0.804 327 HB ILE 45 HB ILE 45 7.055 -0.033 -0.046 328 HG12 ILE 45 HG12 ILE 45 6.817 0.340 -2.492 329 HG13 ILE 45 HG11 ILE 45 5.428 -0.481 -1.789 330 HG21 ILE 45 HG21 ILE 45 4.658 0.172 0.509 331 HG22 ILE 45 HG22 ILE 45 4.756 1.905 0.192 332 HG23 ILE 45 HG23 ILE 45 5.680 1.197 1.517 333 HD11 ILE 45 HD11 ILE 45 4.943 1.326 -3.479 334 HD12 ILE 45 HD12 ILE 45 5.483 2.480 -2.260 335 HD13 ILE 45 HD13 ILE 45 4.091 1.446 -1.940 336 H ASP 46 HN ASP 46 7.013 4.101 0.939 337 HA ASP 46 HA ASP 46 8.877 3.264 3.042 338 HB2 ASP 46 HB2 ASP 46 8.886 5.586 1.775 339 HB3 ASP 46 HB1 ASP 46 7.659 5.991 2.971 340 H LYS 47 HN LYS 47 5.523 3.754 2.416 341 HA LYS 47 HA LYS 47 4.963 3.336 5.278 342 HB2 LYS 47 HB2 LYS 47 3.998 5.398 3.477 343 HB3 LYS 47 HB1 LYS 47 2.672 4.495 4.197 344 HG2 LYS 47 HG2 LYS 47 2.946 6.140 5.750 345 HG3 LYS 47 HG1 LYS 47 4.014 4.901 6.413 346 HD2 LYS 47 HD2 LYS 47 5.525 6.570 6.462 347 HD3 LYS 47 HD1 LYS 47 5.709 6.204 4.745 348 HE2 LYS 47 HE2 LYS 47 3.658 7.885 4.569 349 HE3 LYS 47 HE1 LYS 47 4.351 8.485 6.074 350 HZ1 LYS 47 HZ1 LYS 47 5.136 9.446 3.817 351 HZ2 LYS 47 HZ2 LYS 47 6.097 8.055 3.747 352 HZ3 LYS 47 HZ3 LYS 47 6.273 9.140 5.033 353 H LEU 48 HN LEU 48 3.335 1.929 5.821 354 HA LEU 48 HA LEU 48 1.785 0.596 3.761 355 HB2 LEU 48 HB2 LEU 48 3.760 -0.755 3.695 356 HB3 LEU 48 HB1 LEU 48 3.854 -0.812 5.443 357 HG LEU 48 HG LEU 48 3.059 -2.912 4.224 358 HD11 LEU 48 HD11 LEU 48 2.636 -2.014 6.725 359 HD12 LEU 48 HD12 LEU 48 2.100 -3.589 6.140 360 HD13 LEU 48 HD13 LEU 48 0.973 -2.234 6.183 361 HD21 LEU 48 HD21 LEU 48 0.611 -1.183 3.943 362 HD22 LEU 48 HD22 LEU 48 0.589 -2.942 3.824 363 HD23 LEU 48 HD23 LEU 48 1.517 -1.992 2.665 364 H GLN 49 HN GLN 49 -0.222 0.638 4.573 365 HA GLN 49 HA GLN 49 -0.571 -0.002 7.425 366 HB2 GLN 49 HB2 GLN 49 -2.348 2.002 6.078 367 HB3 GLN 49 HB1 GLN 49 -2.046 1.767 7.793 368 HG2 GLN 49 HG2 GLN 49 -0.776 3.594 7.566 369 HG3 GLN 49 HG1 GLN 49 0.423 2.455 6.954 370 HE21 GLN 49 HE21 GLN 49 1.355 3.071 5.156 371 HE22 GLN 49 HE22 GLN 49 0.650 4.040 3.913 372 H ALA 50 HN ALA 50 -2.390 -1.122 7.998 373 HA ALA 50 HA ALA 50 -4.195 -1.988 5.844 374 HB1 ALA 50 HB1 ALA 50 -2.330 -3.622 7.286 375 HB2 ALA 50 HB2 ALA 50 -3.415 -4.066 5.969 376 HB3 ALA 50 HB3 ALA 50 -3.979 -4.140 7.638 377 H THR 51 HN THR 51 -6.287 -2.806 6.670 378 HA THR 51 HA THR 51 -7.213 -1.095 8.764 379 HB THR 51 HB THR 51 -9.401 -1.856 8.237 380 HG1 THR 51 HG1 THR 51 -8.265 -3.909 6.664 381 HG21 THR 51 HG21 THR 51 -9.426 -1.783 5.728 382 HG22 THR 51 HG22 THR 51 -7.667 -1.680 5.796 383 HG23 THR 51 HG23 THR 51 -8.651 -0.419 6.532 384 HA PRO 52 HA PRO 52 -6.884 -4.159 12.002 385 HB2 PRO 52 HB2 PRO 52 -6.971 -2.475 14.022 386 HB3 PRO 52 HB1 PRO 52 -5.632 -2.360 12.869 387 HG2 PRO 52 HG2 PRO 52 -8.063 -0.648 13.126 388 HG3 PRO 52 HG1 PRO 52 -6.408 -0.187 12.703 389 HD2 PRO 52 HD2 PRO 52 -8.538 -0.703 10.910 390 HD3 PRO 52 HD1 PRO 52 -6.831 -0.474 10.493 391 H ALA 53 HN ALA 53 -8.213 -4.795 13.899 392 HA ALA 53 HA ALA 53 -10.907 -5.096 13.320 393 HB1 ALA 53 HB1 ALA 53 -9.696 -5.132 16.078 394 HB2 ALA 53 HB2 ALA 53 -9.607 -6.466 14.928 395 HB3 ALA 53 HB3 ALA 53 -11.172 -5.941 15.550 396 H SER 54 HN SER 54 -9.491 -2.188 14.037 397 HA SER 54 HA SER 54 -11.198 -0.958 15.869 398 HB2 SER 54 HB2 SER 54 -9.839 0.258 13.483 399 HB3 SER 54 HB1 SER 54 -10.406 1.133 14.908 400 HG SER 54 HG SER 54 -8.078 0.516 14.785 401 H SER 55 HN SER 55 -11.485 -1.588 12.496 402 HA SER 55 HA SER 55 -14.270 -0.706 12.573 403 HB2 SER 55 HB2 SER 55 -12.380 0.859 11.490 404 HB3 SER 55 HB1 SER 55 -12.761 -0.149 10.097 405 HG SER 55 HG SER 55 -14.866 0.534 10.182 406 H GLU 56 HN GLU 56 -15.361 -1.375 10.413 407 HA GLU 56 HA GLU 56 -14.841 -4.210 10.069 408 HB2 GLU 56 HB2 GLU 56 -17.022 -2.478 8.890 409 HB3 GLU 56 HB1 GLU 56 -16.951 -4.234 8.826 410 HG2 GLU 56 HG2 GLU 56 -17.109 -4.315 11.273 411 HG3 GLU 56 HG1 GLU 56 -17.224 -2.556 11.310 412 H LYS 57 HN LYS 57 -13.935 -1.332 8.553 413 HA LYS 57 HA LYS 57 -13.963 -2.057 5.840 414 HB2 LYS 57 HB2 LYS 57 -11.906 -0.270 7.129 415 HB3 LYS 57 HB1 LYS 57 -12.504 -0.211 5.476 416 HG2 LYS 57 HG2 LYS 57 -14.145 1.164 6.049 417 HG3 LYS 57 HG1 LYS 57 -14.670 0.089 7.344 418 HD2 LYS 57 HD2 LYS 57 -13.248 1.103 8.897 419 HD3 LYS 57 HD1 LYS 57 -12.299 1.901 7.650 420 HE2 LYS 57 HE2 LYS 57 -13.807 3.444 8.854 421 HE3 LYS 57 HE1 LYS 57 -14.142 3.363 7.125 422 HZ1 LYS 57 HZ1 LYS 57 -15.910 1.699 7.712 423 HZ2 LYS 57 HZ2 LYS 57 -16.210 3.284 8.217 424 HZ3 LYS 57 HZ3 LYS 57 -15.683 2.128 9.333 425 H MET 58 HN MET 58 -12.671 -3.285 4.621 426 HA MET 58 HA MET 58 -10.221 -4.373 5.848 427 HB2 MET 58 HB2 MET 58 -10.646 -6.393 4.374 428 HB3 MET 58 HB1 MET 58 -11.743 -6.187 5.733 429 HG2 MET 58 HG2 MET 58 -12.747 -4.856 3.383 430 HG3 MET 58 HG1 MET 58 -12.412 -6.556 3.059 431 HE1 MET 58 HE1 MET 58 -14.360 -8.170 3.215 432 HE2 MET 58 HE2 MET 58 -14.984 -6.698 2.466 433 HE3 MET 58 HE3 MET 58 -15.936 -7.535 3.692 434 H MET 59 HN MET 59 -8.556 -3.370 4.881 435 HA MET 59 HA MET 59 -8.149 -3.651 2.077 436 HB2 MET 59 HB2 MET 59 -8.157 -1.319 1.456 437 HB3 MET 59 HB1 MET 59 -9.727 -1.744 2.114 438 HG2 MET 59 HG2 MET 59 -7.896 -0.741 4.126 439 HG3 MET 59 HG1 MET 59 -8.168 0.402 2.820 440 HE1 MET 59 HE1 MET 59 -9.898 2.233 4.895 441 HE2 MET 59 HE2 MET 59 -8.564 1.194 5.388 442 HE3 MET 59 HE3 MET 59 -10.122 1.073 6.202 443 H LEU 60 HN LEU 60 -6.156 -2.370 1.364 444 HA LEU 60 HA LEU 60 -4.231 -2.050 3.561 445 HB2 LEU 60 HB2 LEU 60 -4.237 -4.120 1.564 446 HB3 LEU 60 HB1 LEU 60 -2.817 -3.117 1.358 447 HG LEU 60 HG LEU 60 -3.610 -4.569 3.885 448 HD11 LEU 60 HD11 LEU 60 -2.706 -5.909 1.902 449 HD12 LEU 60 HD12 LEU 60 -1.877 -6.087 3.449 450 HD13 LEU 60 HD13 LEU 60 -1.183 -5.068 2.188 451 HD21 LEU 60 HD21 LEU 60 -1.097 -3.845 4.338 452 HD22 LEU 60 HD22 LEU 60 -2.462 -2.819 4.772 453 HD23 LEU 60 HD23 LEU 60 -1.563 -2.508 3.288 454 H ARG 61 HN ARG 61 -2.805 -0.369 3.290 455 HA ARG 61 HA ARG 61 -3.026 1.129 0.759 456 HB2 ARG 61 HB2 ARG 61 -4.104 2.319 2.596 457 HB3 ARG 61 HB1 ARG 61 -2.636 2.206 3.556 458 HG2 ARG 61 HG2 ARG 61 -2.258 4.272 2.780 459 HG3 ARG 61 HG1 ARG 61 -1.688 3.431 1.338 460 HD2 ARG 61 HD2 ARG 61 -3.745 3.757 0.221 461 HD3 ARG 61 HD1 ARG 61 -4.555 4.259 1.701 462 HE ARG 61 HE ARG 61 -3.094 5.914 -0.080 463 HH11 ARG 61 HH11 ARG 61 -3.782 5.455 3.309 464 HH12 ARG 61 HH12 ARG 61 -3.559 7.124 3.710 465 HH21 ARG 61 HH21 ARG 61 -2.804 8.112 0.444 466 HH22 ARG 61 HH22 ARG 61 -3.003 8.633 2.084 467 H LEU 62 HN LEU 62 -1.203 1.906 -0.188 468 HA LEU 62 HA LEU 62 1.365 1.357 1.138 469 HB2 LEU 62 HB2 LEU 62 1.083 1.040 -1.823 470 HB3 LEU 62 HB1 LEU 62 2.287 0.360 -0.749 471 HG LEU 62 HG LEU 62 0.974 -1.459 -1.452 472 HD11 LEU 62 HD11 LEU 62 -0.606 -1.315 0.938 473 HD12 LEU 62 HD12 LEU 62 1.016 -0.693 1.242 474 HD13 LEU 62 HD13 LEU 62 0.802 -2.315 0.583 475 HD21 LEU 62 HD21 LEU 62 -1.664 -0.946 -0.679 476 HD22 LEU 62 HD22 LEU 62 -1.032 -1.081 -2.320 477 HD23 LEU 62 HD23 LEU 62 -1.132 0.497 -1.541 478 H ILE 63 HN ILE 63 2.112 3.352 1.556 479 HA ILE 63 HA ILE 63 1.791 5.436 -0.474 480 HB ILE 63 HB ILE 63 2.267 5.490 2.469 481 HG12 ILE 63 HG12 ILE 63 0.649 7.611 1.522 482 HG13 ILE 63 HG11 ILE 63 0.179 6.169 0.627 483 HG21 ILE 63 HG21 ILE 63 3.030 7.708 0.580 484 HG22 ILE 63 HG22 ILE 63 4.068 6.879 1.741 485 HG23 ILE 63 HG23 ILE 63 2.770 7.928 2.311 486 HD11 ILE 63 HD11 ILE 63 0.442 6.156 3.604 487 HD12 ILE 63 HD12 ILE 63 -0.429 5.031 2.562 488 HD13 ILE 63 HD13 ILE 63 -1.039 6.670 2.797 489 H GLY 64 HN GLY 64 3.388 5.469 -1.918 490 HA2 GLY 64 HA2 GLY 64 5.952 4.411 -1.585 491 HA3 GLY 64 HA1 GLY 64 5.496 5.579 -2.815 492 H LYS 65 HN LYS 65 8.015 5.539 -1.597 493 HA LYS 65 HA LYS 65 8.347 7.235 0.587 494 HB2 LYS 65 HB2 LYS 65 10.065 5.791 -0.755 495 HB3 LYS 65 HB1 LYS 65 10.291 7.260 -1.695 496 HG2 LYS 65 HG2 LYS 65 11.719 7.983 -0.172 497 HG3 LYS 65 HG1 LYS 65 10.412 8.014 1.014 498 HD2 LYS 65 HD2 LYS 65 10.873 5.729 1.644 499 HD3 LYS 65 HD1 LYS 65 12.091 5.590 0.373 500 HE2 LYS 65 HE2 LYS 65 12.451 7.808 2.287 501 HE3 LYS 65 HE1 LYS 65 12.663 6.183 2.937 502 HZ1 LYS 65 HZ1 LYS 65 14.738 7.150 2.097 503 HZ2 LYS 65 HZ2 LYS 65 14.069 7.246 0.546 504 HZ3 LYS 65 HZ3 LYS 65 14.317 5.736 1.267 505 H VAL 66 HN VAL 66 8.301 8.009 -2.877 506 HA VAL 66 HA VAL 66 7.196 10.610 -2.361 507 HB VAL 66 HB VAL 66 9.068 11.776 -3.655 508 HG11 VAL 66 HG11 VAL 66 9.911 10.808 -0.940 509 HG12 VAL 66 HG12 VAL 66 8.554 11.913 -1.162 510 HG13 VAL 66 HG13 VAL 66 10.172 12.389 -1.678 511 HG21 VAL 66 HG21 VAL 66 10.436 9.203 -2.915 512 HG22 VAL 66 HG22 VAL 66 11.328 10.694 -3.221 513 HG23 VAL 66 HG23 VAL 66 10.339 9.981 -4.496 514 H ASP 67 HN ASP 67 6.448 11.657 -4.253 515 HA ASP 67 HA ASP 67 6.572 10.035 -6.707 516 HB2 ASP 67 HB2 ASP 67 4.299 10.477 -5.117 517 HB3 ASP 67 HB1 ASP 67 4.103 11.529 -6.514 518 H GLU 68 HN GLU 68 7.025 11.127 -8.534 519 HA GLU 68 HA GLU 68 6.791 14.029 -8.534 520 HB2 GLU 68 HB2 GLU 68 8.999 14.295 -9.495 521 HB3 GLU 68 HB1 GLU 68 9.118 13.438 -7.966 522 HG2 GLU 68 HG2 GLU 68 9.872 11.548 -8.924 523 HG3 GLU 68 HG1 GLU 68 8.871 11.747 -10.361 524 H SER 69 HN SER 69 4.921 12.537 -9.729 525 HA SER 69 HA SER 69 5.625 12.409 -12.551 526 HB2 SER 69 HB2 SER 69 3.656 10.987 -10.855 527 HB3 SER 69 HB1 SER 69 3.162 11.336 -12.512 528 HG SER 69 HG SER 69 4.799 10.110 -13.272 529 H LYS 70 HN LYS 70 3.618 14.030 -10.261 530 HA LYS 70 HA LYS 70 2.315 15.544 -12.386 531 HB2 LYS 70 HB2 LYS 70 0.712 16.244 -10.615 532 HB3 LYS 70 HB1 LYS 70 0.732 14.508 -10.901 533 HG2 LYS 70 HG2 LYS 70 2.631 15.212 -8.861 534 HG3 LYS 70 HG1 LYS 70 1.028 15.837 -8.464 535 HD2 LYS 70 HD2 LYS 70 0.311 13.395 -9.231 536 HD3 LYS 70 HD1 LYS 70 1.967 13.031 -8.741 537 HE2 LYS 70 HE2 LYS 70 0.489 14.698 -6.840 538 HE3 LYS 70 HE1 LYS 70 -0.196 13.090 -7.073 539 HZ1 LYS 70 HZ1 LYS 70 1.816 12.085 -6.416 540 HZ2 LYS 70 HZ2 LYS 70 1.516 13.296 -5.274 541 HZ3 LYS 70 HZ3 LYS 70 2.672 13.543 -6.483 542 H LYS 71 HN LYS 71 5.023 15.801 -10.740 543 HA LYS 71 HA LYS 71 5.084 18.128 -9.294 544 HB2 LYS 71 HB2 LYS 71 7.419 18.230 -9.712 545 HB3 LYS 71 HB1 LYS 71 6.988 16.526 -9.695 546 HG2 LYS 71 HG2 LYS 71 6.806 17.568 -12.368 547 HG3 LYS 71 HG1 LYS 71 8.389 17.923 -11.675 548 HD2 LYS 71 HD2 LYS 71 8.399 15.455 -10.957 549 HD3 LYS 71 HD1 LYS 71 7.074 15.259 -12.105 550 HE2 LYS 71 HE2 LYS 71 8.623 14.976 -13.679 551 HE3 LYS 71 HE1 LYS 71 8.984 16.694 -13.512 552 HZ1 LYS 71 HZ1 LYS 71 10.529 15.951 -11.644 553 HZ2 LYS 71 HZ2 LYS 71 11.022 15.640 -13.232 554 HZ3 LYS 71 HZ3 LYS 71 10.376 14.394 -12.289 555 H ARG 72 HN ARG 72 6.470 20.110 -10.155 556 HA ARG 72 HA ARG 72 5.007 21.167 -12.479 557 HB2 ARG 72 HB2 ARG 72 5.757 23.422 -11.469 558 HB3 ARG 72 HB1 ARG 72 4.457 22.548 -10.673 559 HG2 ARG 72 HG2 ARG 72 5.994 23.445 -9.041 560 HG3 ARG 72 HG1 ARG 72 6.057 21.681 -9.031 561 HD2 ARG 72 HD2 ARG 72 8.176 21.616 -9.854 562 HD3 ARG 72 HD1 ARG 72 7.968 23.087 -10.803 563 HE ARG 72 HE ARG 72 9.109 22.903 -8.233 564 HH11 ARG 72 HH11 ARG 72 6.968 24.924 -10.106 565 HH12 ARG 72 HH12 ARG 72 7.356 26.364 -9.227 566 HH21 ARG 72 HH21 ARG 72 9.620 24.796 -7.075 567 HH22 ARG 72 HH22 ARG 72 8.862 26.292 -7.507 568 H LYS 73 HN LYS 73 6.468 23.235 -13.286 569 HA LYS 73 HA LYS 73 9.168 22.161 -13.766 570 HB2 LYS 73 HB2 LYS 73 7.290 23.424 -15.771 571 HB3 LYS 73 HB1 LYS 73 8.994 23.122 -16.081 572 HG2 LYS 73 HG2 LYS 73 7.737 21.357 -17.065 573 HG3 LYS 73 HG1 LYS 73 8.577 20.706 -15.656 574 HD2 LYS 73 HD2 LYS 73 6.659 20.204 -14.613 575 HD3 LYS 73 HD1 LYS 73 5.926 21.754 -15.031 576 HE2 LYS 73 HE2 LYS 73 4.586 20.497 -16.328 577 HE3 LYS 73 HE1 LYS 73 5.947 20.536 -17.447 578 HZ1 LYS 73 HZ1 LYS 73 6.669 18.457 -16.048 579 HZ2 LYS 73 HZ2 LYS 73 5.575 18.307 -17.329 580 HZ3 LYS 73 HZ3 LYS 73 5.009 18.354 -15.735 581 H ASP 74 HN ASP 74 10.338 24.140 -15.132 582 HA ASP 74 HA ASP 74 9.775 26.706 -13.977 583 HB2 ASP 74 HB2 ASP 74 11.311 25.138 -12.413 584 HB3 ASP 74 HB1 ASP 74 12.557 25.847 -13.435 585 H ASN 75 HN ASN 75 11.904 28.155 -14.520 586 HA ASN 75 HA ASN 75 11.915 28.426 -17.294 587 HB2 ASN 75 HB2 ASN 75 13.728 29.490 -15.144 588 HB3 ASN 75 HB1 ASN 75 13.994 29.874 -16.842 589 HD21 ASN 75 HD21 ASN 75 12.871 31.186 -14.195 590 HD22 ASN 75 HD22 ASN 75 11.569 32.144 -14.805 591 H GLU 76 HN GLU 76 13.965 26.592 -15.187 592 HA GLU 76 HA GLU 76 15.534 25.712 -17.488 593 HB2 GLU 76 HB2 GLU 76 16.291 25.918 -14.582 594 HB3 GLU 76 HB1 GLU 76 17.252 25.028 -15.754 595 HG2 GLU 76 HG2 GLU 76 16.572 27.798 -16.485 596 HG3 GLU 76 HG1 GLU 76 17.667 27.601 -15.117 597 H GLY 77 HN GLY 77 13.317 24.765 -15.085 598 HA2 GLY 77 HA2 GLY 77 12.162 22.677 -15.281 599 HA3 GLY 77 HA1 GLY 77 13.634 21.965 -15.927 600 H ASN 78 HN ASN 78 13.362 23.998 -13.059 601 HA ASN 78 HA ASN 78 14.940 22.315 -11.466 602 HB2 ASN 78 HB2 ASN 78 13.064 24.581 -10.843 603 HB3 ASN 78 HB1 ASN 78 13.858 23.685 -9.551 604 HD21 ASN 78 HD21 ASN 78 14.454 25.566 -12.467 605 HD22 ASN 78 HD22 ASN 78 16.008 26.152 -11.990 606 H GLU 79 HN GLU 79 11.491 22.433 -12.015 607 HA GLU 79 HA GLU 79 9.733 21.244 -11.171 608 HB2 GLU 79 HB2 GLU 79 10.187 18.744 -11.171 609 HB3 GLU 79 HB1 GLU 79 10.514 19.600 -12.670 610 HG2 GLU 79 HG2 GLU 79 12.880 19.600 -12.198 611 HG3 GLU 79 HG1 GLU 79 12.593 18.843 -10.631 612 H VAL 80 HN VAL 80 9.432 19.087 -9.520 613 HA VAL 80 HA VAL 80 10.951 19.313 -7.113 614 HB VAL 80 HB VAL 80 9.577 21.395 -7.013 615 HG11 VAL 80 HG11 VAL 80 7.414 21.374 -7.505 616 HG12 VAL 80 HG12 VAL 80 7.106 20.252 -6.180 617 HG13 VAL 80 HG13 VAL 80 7.499 19.634 -7.784 618 HG21 VAL 80 HG21 VAL 80 10.424 20.179 -5.000 619 HG22 VAL 80 HG22 VAL 80 8.838 19.420 -4.865 620 HG23 VAL 80 HG23 VAL 80 8.993 21.170 -4.712 621 H VAL 81 HN VAL 81 10.001 17.964 -5.347 622 HA VAL 81 HA VAL 81 8.095 15.983 -6.294 623 HB VAL 81 HB VAL 81 10.667 15.241 -4.917 624 HG11 VAL 81 HG11 VAL 81 8.993 13.628 -4.440 625 HG12 VAL 81 HG12 VAL 81 9.999 12.943 -5.716 626 HG13 VAL 81 HG13 VAL 81 8.423 13.629 -6.108 627 HG21 VAL 81 HG21 VAL 81 10.974 14.133 -7.309 628 HG22 VAL 81 HG22 VAL 81 11.515 15.775 -6.962 629 HG23 VAL 81 HG23 VAL 81 9.981 15.508 -7.791 630 HA PRO 82 HA PRO 82 7.436 17.273 -1.833 631 HB2 PRO 82 HB2 PRO 82 4.948 18.525 -2.619 632 HB3 PRO 82 HB1 PRO 82 6.372 19.273 -1.895 633 HG2 PRO 82 HG2 PRO 82 5.554 19.769 -4.441 634 HG3 PRO 82 HG1 PRO 82 7.250 19.857 -3.930 635 HD2 PRO 82 HD2 PRO 82 5.802 17.621 -5.312 636 HD3 PRO 82 HD1 PRO 82 7.398 18.312 -5.676 637 H LYS 83 HN LYS 83 4.438 16.980 -3.712 638 HA LYS 83 HA LYS 83 3.073 15.401 -1.884 639 HB2 LYS 83 HB2 LYS 83 1.656 14.754 -3.915 640 HB3 LYS 83 HB1 LYS 83 1.775 16.463 -3.520 641 HG2 LYS 83 HG2 LYS 83 3.808 15.504 -5.400 642 HG3 LYS 83 HG1 LYS 83 2.148 15.409 -5.990 643 HD2 LYS 83 HD2 LYS 83 2.909 17.922 -4.638 644 HD3 LYS 83 HD1 LYS 83 3.680 17.613 -6.195 645 HE2 LYS 83 HE2 LYS 83 1.130 16.982 -6.793 646 HE3 LYS 83 HE1 LYS 83 0.862 18.206 -5.552 647 HZ1 LYS 83 HZ1 LYS 83 1.076 18.929 -7.997 648 HZ2 LYS 83 HZ2 LYS 83 2.739 18.724 -7.763 649 HZ3 LYS 83 HZ3 LYS 83 1.882 19.829 -6.812 650 HA PRO 84 HA PRO 84 5.471 11.608 -2.554 651 HB2 PRO 84 HB2 PRO 84 3.822 10.625 -0.325 652 HB3 PRO 84 HB1 PRO 84 5.579 10.745 -0.451 653 HG2 PRO 84 HG2 PRO 84 4.168 12.369 1.154 654 HG3 PRO 84 HG1 PRO 84 5.617 12.928 0.297 655 HD2 PRO 84 HD2 PRO 84 2.729 13.365 -0.380 656 HD3 PRO 84 HD1 PRO 84 4.085 14.511 -0.440 657 H GLN 85 HN GLN 85 4.779 9.258 -2.739 658 HA GLN 85 HA GLN 85 2.373 9.147 -4.369 659 HB2 GLN 85 HB2 GLN 85 4.672 8.096 -4.939 660 HB3 GLN 85 HB1 GLN 85 4.201 6.824 -3.820 661 HG2 GLN 85 HG2 GLN 85 2.301 6.262 -5.154 662 HG3 GLN 85 HG1 GLN 85 2.562 7.657 -6.200 663 HE21 GLN 85 HE21 GLN 85 2.681 6.343 -8.026 664 HE22 GLN 85 HE22 GLN 85 4.067 5.368 -8.362 665 H ARG 86 HN ARG 86 0.514 8.124 -3.828 666 HA ARG 86 HA ARG 86 0.453 6.299 -1.572 667 HB2 ARG 86 HB2 ARG 86 -1.430 8.640 -1.514 668 HB3 ARG 86 HB1 ARG 86 -1.049 7.506 -0.227 669 HG2 ARG 86 HG2 ARG 86 1.260 8.464 -0.180 670 HG3 ARG 86 HG1 ARG 86 0.700 9.701 -1.306 671 HD2 ARG 86 HD2 ARG 86 -0.825 9.223 1.212 672 HD3 ARG 86 HD1 ARG 86 0.684 10.131 1.283 673 HE ARG 86 HE ARG 86 -0.923 11.181 -0.766 674 HH11 ARG 86 HH11 ARG 86 -0.814 10.982 2.716 675 HH12 ARG 86 HH12 ARG 86 -1.682 12.462 2.952 676 HH21 ARG 86 HH21 ARG 86 -2.064 13.127 -0.458 677 HH22 ARG 86 HH22 ARG 86 -2.392 13.680 1.151 678 H HIS 87 HN HIS 87 -1.000 4.734 -1.839 679 HA HIS 87 HA HIS 87 -3.346 5.161 -3.509 680 HB2 HIS 87 HB2 HIS 87 -2.645 2.746 -4.492 681 HB3 HIS 87 HB1 HIS 87 -2.251 4.264 -5.288 682 HD1 HIS 87 HD1 HIS 87 0.185 4.808 -5.584 683 HD2 HIS 87 HD2 HIS 87 -0.440 1.593 -3.028 684 HE1 HIS 87 HE1 HIS 87 2.465 3.840 -5.151 685 HE2 HIS 87 HE2 HIS 87 2.052 1.843 -3.671 686 H MET 88 HN MET 88 -5.085 4.015 -2.828 687 HA MET 88 HA MET 88 -4.658 2.232 -0.526 688 HB2 MET 88 HB2 MET 88 -6.099 4.279 -0.249 689 HB3 MET 88 HB1 MET 88 -7.238 3.557 -1.376 690 HG2 MET 88 HG2 MET 88 -7.621 1.709 0.124 691 HG3 MET 88 HG1 MET 88 -6.385 2.309 1.228 692 HE1 MET 88 HE1 MET 88 -7.596 2.180 3.128 693 HE2 MET 88 HE2 MET 88 -9.348 2.108 2.967 694 HE3 MET 88 HE3 MET 88 -8.596 3.493 3.749 695 H PHE 89 HN PHE 89 -5.045 0.142 -0.700 696 HA PHE 89 HA PHE 89 -6.249 -0.899 -3.152 697 HB2 PHE 89 HB2 PHE 89 -4.134 -1.726 -1.455 698 HB3 PHE 89 HB1 PHE 89 -5.395 -2.941 -1.310 699 HD1 PHE 89 HD1 PHE 89 -6.510 -3.386 -3.801 700 HD2 PHE 89 HD2 PHE 89 -2.495 -2.281 -2.944 701 HE1 PHE 89 HE1 PHE 89 -5.790 -4.385 -5.929 702 HE2 PHE 89 HE2 PHE 89 -1.763 -3.280 -5.071 703 HZ PHE 89 HZ PHE 89 -3.412 -4.334 -6.566 704 H SER 90 HN SER 90 -8.021 -2.475 -3.044 705 HA SER 90 HA SER 90 -9.391 -2.594 -0.459 706 HB2 SER 90 HB2 SER 90 -10.183 -0.637 -1.985 707 HB3 SER 90 HB1 SER 90 -10.996 -1.909 -2.896 708 HG SER 90 HG SER 90 -12.164 -2.441 -1.072 709 H PHE 91 HN PHE 91 -10.219 -4.516 -0.030 710 HA PHE 91 HA PHE 91 -11.089 -6.251 -2.200 711 HB2 PHE 91 HB2 PHE 91 -9.780 -7.972 -0.360 712 HB3 PHE 91 HB1 PHE 91 -9.407 -7.695 -2.057 713 HD1 PHE 91 HD1 PHE 91 -8.011 -5.486 -2.488 714 HD2 PHE 91 HD2 PHE 91 -8.105 -7.645 1.171 715 HE1 PHE 91 HE1 PHE 91 -5.824 -4.552 -1.891 716 HE2 PHE 91 HE2 PHE 91 -5.913 -6.704 1.781 717 HZ PHE 91 HZ PHE 91 -4.770 -5.159 0.245 718 H ASN 92 HN ASN 92 -12.162 -8.283 -1.240 719 HA ASN 92 HA ASN 92 -13.907 -7.352 0.916 720 HB2 ASN 92 HB2 ASN 92 -15.430 -9.151 0.175 721 HB3 ASN 92 HB1 ASN 92 -15.026 -8.038 -1.128 722 HD21 ASN 92 HD21 ASN 92 -14.213 -8.833 -2.950 723 HD22 ASN 92 HD22 ASN 92 -13.705 -10.468 -3.186 724 H ASN 93 HN ASN 93 -11.134 -8.659 1.209 725 HA ASN 93 HA ASN 93 -12.012 -10.801 3.025 726 HB2 ASN 93 HB2 ASN 93 -9.784 -10.681 1.078 727 HB3 ASN 93 HB1 ASN 93 -9.428 -11.439 2.628 728 HD21 ASN 93 HD21 ASN 93 -10.204 -13.429 3.058 729 HD22 ASN 93 HD22 ASN 93 -11.154 -14.361 1.956 730 H ARG 94 HN ARG 94 -11.921 -10.126 5.044 731 HA ARG 94 HA ARG 94 -10.205 -7.991 5.888 732 HB2 ARG 94 HB2 ARG 94 -11.767 -9.876 7.655 733 HB3 ARG 94 HB1 ARG 94 -11.212 -8.254 8.046 734 HG2 ARG 94 HG2 ARG 94 -12.946 -7.265 7.009 735 HG3 ARG 94 HG1 ARG 94 -12.987 -8.457 5.708 736 HD2 ARG 94 HD2 ARG 94 -14.936 -8.981 6.776 737 HD3 ARG 94 HD1 ARG 94 -13.823 -10.035 7.648 738 HE ARG 94 HE ARG 94 -13.955 -7.564 8.969 739 HH11 ARG 94 HH11 ARG 94 -15.948 -10.355 8.322 740 HH12 ARG 94 HH12 ARG 94 -16.883 -10.179 9.769 741 HH21 ARG 94 HH21 ARG 94 -15.183 -7.331 10.873 742 HH22 ARG 94 HH22 ARG 94 -16.449 -8.462 11.218 743 H THR 95 HN THR 95 -10.063 -11.456 5.860 744 HA THR 95 HA THR 95 -7.899 -11.621 7.760 745 HB THR 95 HB THR 95 -9.784 -13.411 6.703 746 HG1 THR 95 HG1 THR 95 -8.995 -14.721 8.296 747 HG21 THR 95 HG21 THR 95 -8.248 -13.983 4.880 748 HG22 THR 95 HG22 THR 95 -8.508 -15.328 5.991 749 HG23 THR 95 HG23 THR 95 -7.013 -14.396 6.069 750 H VAL 96 HN VAL 96 -8.304 -11.881 4.254 751 HA VAL 96 HA VAL 96 -5.662 -12.542 3.611 752 HB VAL 96 HB VAL 96 -7.851 -12.392 2.125 753 HG11 VAL 96 HG11 VAL 96 -7.837 -10.524 0.584 754 HG12 VAL 96 HG12 VAL 96 -6.477 -9.799 1.442 755 HG13 VAL 96 HG13 VAL 96 -8.043 -9.953 2.239 756 HG21 VAL 96 HG21 VAL 96 -5.575 -13.348 1.583 757 HG22 VAL 96 HG22 VAL 96 -5.196 -11.786 0.856 758 HG23 VAL 96 HG23 VAL 96 -6.519 -12.760 0.214 759 H MET 97 HN MET 97 -7.249 -9.399 3.939 760 HA MET 97 HA MET 97 -5.067 -7.813 3.151 761 HB2 MET 97 HB2 MET 97 -6.255 -6.004 4.447 762 HB3 MET 97 HB1 MET 97 -7.197 -6.792 3.201 763 HG2 MET 97 HG2 MET 97 -8.766 -6.918 4.776 764 HG3 MET 97 HG1 MET 97 -7.850 -8.315 5.320 765 HE1 MET 97 HE1 MET 97 -6.574 -4.593 5.739 766 HE2 MET 97 HE2 MET 97 -5.385 -5.809 6.205 767 HE3 MET 97 HE3 MET 97 -6.075 -4.740 7.424 768 H ASP 98 HN ASP 98 -6.201 -8.595 6.426 769 HA ASP 98 HA ASP 98 -4.087 -7.281 7.744 770 HB2 ASP 98 HB2 ASP 98 -6.437 -8.196 8.583 771 HB3 ASP 98 HB1 ASP 98 -5.449 -9.569 9.074 772 H ASN 99 HN ASN 99 -4.324 -10.468 6.380 773 HA ASN 99 HA ASN 99 -2.089 -11.510 7.872 774 HB2 ASN 99 HB2 ASN 99 -3.857 -12.539 5.690 775 HB3 ASN 99 HB1 ASN 99 -2.317 -13.340 5.987 776 HD21 ASN 99 HD21 ASN 99 -4.914 -11.963 7.982 777 HD22 ASN 99 HD22 ASN 99 -5.087 -13.343 9.007 778 H ILE 100 HN ILE 100 -2.610 -10.094 4.699 779 HA ILE 100 HA ILE 100 0.116 -10.655 3.894 780 HB ILE 100 HB ILE 100 -1.703 -10.782 2.243 781 HG12 ILE 100 HG12 ILE 100 0.516 -8.789 1.826 782 HG13 ILE 100 HG11 ILE 100 0.440 -10.467 1.305 783 HG21 ILE 100 HG21 ILE 100 -2.614 -8.466 3.380 784 HG22 ILE 100 HG22 ILE 100 -3.179 -9.156 1.859 785 HG23 ILE 100 HG23 ILE 100 -1.937 -7.904 1.852 786 HD11 ILE 100 HD11 ILE 100 -1.312 -9.863 -0.304 787 HD12 ILE 100 HD12 ILE 100 0.193 -8.984 -0.577 788 HD13 ILE 100 HD13 ILE 100 -1.171 -8.176 0.204 789 H LYS 101 HN LYS 101 -1.603 -8.050 5.424 790 HA LYS 101 HA LYS 101 0.214 -5.990 4.607 791 HB2 LYS 101 HB2 LYS 101 -0.928 -4.629 6.281 792 HB3 LYS 101 HB1 LYS 101 -2.095 -5.504 5.299 793 HG2 LYS 101 HG2 LYS 101 -3.012 -6.018 7.247 794 HG3 LYS 101 HG1 LYS 101 -1.748 -7.242 7.326 795 HD2 LYS 101 HD2 LYS 101 -0.816 -6.256 9.097 796 HD3 LYS 101 HD1 LYS 101 -0.778 -4.693 8.273 797 HE2 LYS 101 HE2 LYS 101 -2.628 -3.968 9.310 798 HE3 LYS 101 HE1 LYS 101 -3.442 -5.524 9.110 799 HZ1 LYS 101 HZ1 LYS 101 -2.762 -4.638 11.468 800 HZ2 LYS 101 HZ2 LYS 101 -1.274 -5.339 11.073 801 HZ3 LYS 101 HZ3 LYS 101 -2.674 -6.288 11.100 802 H MET 102 HN MET 102 -0.106 -8.149 7.348 803 HA MET 102 HA MET 102 1.743 -7.011 9.091 804 HB2 MET 102 HB2 MET 102 0.151 -9.208 9.170 805 HB3 MET 102 HB1 MET 102 1.725 -9.964 8.965 806 HG2 MET 102 HG2 MET 102 2.270 -8.175 10.920 807 HG3 MET 102 HG1 MET 102 0.585 -8.557 11.272 808 HE1 MET 102 HE1 MET 102 0.499 -11.623 13.001 809 HE2 MET 102 HE2 MET 102 -0.097 -10.009 12.613 810 HE3 MET 102 HE3 MET 102 1.187 -10.213 13.805 811 H THR 103 HN THR 103 2.222 -9.328 6.457 812 HA THR 103 HA THR 103 4.926 -9.868 6.827 813 HB THR 103 HB THR 103 3.438 -9.634 4.204 814 HG1 THR 103 HG1 THR 103 2.372 -11.189 5.189 815 HG21 THR 103 HG21 THR 103 5.674 -11.537 4.670 816 HG22 THR 103 HG22 THR 103 6.035 -9.863 4.247 817 HG23 THR 103 HG23 THR 103 5.063 -10.857 3.162 818 H LEU 104 HN LEU 104 3.363 -7.188 5.138 819 HA LEU 104 HA LEU 104 5.879 -6.051 4.296 820 HB2 LEU 104 HB2 LEU 104 3.058 -4.992 4.176 821 HB3 LEU 104 HB1 LEU 104 4.449 -4.162 3.511 822 HG LEU 104 HG LEU 104 2.860 -6.337 2.392 823 HD11 LEU 104 HD11 LEU 104 2.917 -4.724 0.856 824 HD12 LEU 104 HD12 LEU 104 4.516 -5.342 0.442 825 HD13 LEU 104 HD13 LEU 104 4.357 -3.984 1.555 826 HD21 LEU 104 HD21 LEU 104 5.864 -6.584 2.386 827 HD22 LEU 104 HD22 LEU 104 4.803 -7.404 1.243 828 HD23 LEU 104 HD23 LEU 104 4.690 -7.765 2.965 829 H GLN 105 HN GLN 105 3.433 -5.399 6.760 830 HA GLN 105 HA GLN 105 4.204 -2.961 7.727 831 HB2 GLN 105 HB2 GLN 105 3.142 -5.414 9.081 832 HB3 GLN 105 HB1 GLN 105 3.586 -4.012 10.043 833 HG2 GLN 105 HG2 GLN 105 2.064 -2.670 8.521 834 HG3 GLN 105 HG1 GLN 105 1.468 -4.220 7.930 835 HE21 GLN 105 HE21 GLN 105 0.172 -2.033 9.464 836 HE22 GLN 105 HE22 GLN 105 -0.499 -2.798 10.860 837 H GLN 106 HN GLN 106 5.602 -6.108 8.585 838 HA GLN 106 HA GLN 106 7.528 -5.074 10.384 839 HB2 GLN 106 HB2 GLN 106 7.506 -7.665 8.826 840 HB3 GLN 106 HB1 GLN 106 8.614 -7.293 10.139 841 HG2 GLN 106 HG2 GLN 106 6.618 -7.008 11.622 842 HG3 GLN 106 HG1 GLN 106 5.632 -7.630 10.299 843 HE21 GLN 106 HE21 GLN 106 5.231 -9.713 10.367 844 HE22 GLN 106 HE22 GLN 106 6.199 -10.918 11.138 845 H ILE 107 HN ILE 107 7.594 -5.815 6.925 846 HA ILE 107 HA ILE 107 10.317 -5.501 6.484 847 HB ILE 107 HB ILE 107 7.917 -5.675 4.869 848 HG12 ILE 107 HG12 ILE 107 10.789 -6.300 4.206 849 HG13 ILE 107 HG11 ILE 107 9.754 -7.342 5.181 850 HG21 ILE 107 HG21 ILE 107 8.342 -3.525 4.003 851 HG22 ILE 107 HG22 ILE 107 8.992 -4.658 2.820 852 HG23 ILE 107 HG23 ILE 107 10.080 -3.814 3.921 853 HD11 ILE 107 HD11 ILE 107 8.242 -7.637 3.306 854 HD12 ILE 107 HD12 ILE 107 9.887 -8.093 2.858 855 HD13 ILE 107 HD13 ILE 107 9.224 -6.548 2.326 856 H ILE 108 HN ILE 108 7.765 -3.046 5.913 857 HA ILE 108 HA ILE 108 9.452 -0.939 5.311 858 HB ILE 108 HB ILE 108 6.997 -0.477 6.976 859 HG12 ILE 108 HG12 ILE 108 6.249 -2.075 5.349 860 HG13 ILE 108 HG11 ILE 108 5.706 -0.486 4.826 861 HG21 ILE 108 HG21 ILE 108 7.153 1.637 6.277 862 HG22 ILE 108 HG22 ILE 108 7.490 1.159 4.613 863 HG23 ILE 108 HG23 ILE 108 8.797 1.216 5.796 864 HD11 ILE 108 HD11 ILE 108 6.887 -0.575 2.938 865 HD12 ILE 108 HD12 ILE 108 6.958 -2.309 3.252 866 HD13 ILE 108 HD13 ILE 108 8.299 -1.270 3.734 867 H SER 109 HN SER 109 8.695 -2.364 8.364 868 HA SER 109 HA SER 109 9.743 -0.249 9.974 869 HB2 SER 109 HB2 SER 109 8.042 -1.948 10.732 870 HB3 SER 109 HB1 SER 109 9.338 -3.143 10.759 871 HG SER 109 HG SER 109 9.175 -2.301 12.805 872 H ARG 110 HN ARG 110 11.087 -2.956 8.291 873 HA ARG 110 HA ARG 110 13.608 -2.704 9.758 874 HB2 ARG 110 HB2 ARG 110 14.151 -4.837 9.099 875 HB3 ARG 110 HB1 ARG 110 12.400 -4.963 9.121 876 HG2 ARG 110 HG2 ARG 110 12.573 -4.333 6.612 877 HG3 ARG 110 HG1 ARG 110 14.256 -4.829 6.786 878 HD2 ARG 110 HD2 ARG 110 12.202 -6.658 7.876 879 HD3 ARG 110 HD1 ARG 110 12.290 -6.521 6.121 880 HE ARG 110 HE ARG 110 14.841 -6.952 7.369 881 HH11 ARG 110 HH11 ARG 110 11.981 -8.503 6.104 882 HH12 ARG 110 HH12 ARG 110 12.782 -10.007 5.795 883 HH21 ARG 110 HH21 ARG 110 15.895 -8.929 6.962 884 HH22 ARG 110 HH22 ARG 110 15.004 -10.250 6.282 885 H TYR 111 HN TYR 111 12.207 -2.390 6.531 886 HA TYR 111 HA TYR 111 14.662 -1.758 5.247 887 HB2 TYR 111 HB2 TYR 111 11.781 -1.670 4.513 888 HB3 TYR 111 HB1 TYR 111 12.889 -0.696 3.555 889 HD1 TYR 111 HD2 TYR 111 14.318 -3.706 4.931 890 HD2 TYR 111 HD1 TYR 111 12.112 -2.146 1.645 891 HE1 TYR 111 HE2 TYR 111 14.908 -5.688 3.602 892 HE2 TYR 111 HE1 TYR 111 12.696 -4.124 0.307 893 HH TYR 111 HH TYR 111 14.045 -6.925 1.657 894 H LYS 112 HN LYS 112 12.239 0.116 6.909 895 HA LYS 112 HA LYS 112 12.862 2.675 5.981 896 HB2 LYS 112 HB2 LYS 112 11.627 1.542 8.430 897 HB3 LYS 112 HB1 LYS 112 12.150 3.217 8.501 898 HG2 LYS 112 HG2 LYS 112 10.585 2.516 6.123 899 HG3 LYS 112 HG1 LYS 112 9.718 2.382 7.656 900 HD2 LYS 112 HD2 LYS 112 11.220 4.811 6.680 901 HD3 LYS 112 HD1 LYS 112 9.467 4.612 6.670 902 HE2 LYS 112 HE2 LYS 112 10.555 4.071 9.286 903 HE3 LYS 112 HE1 LYS 112 11.043 5.668 8.721 904 HZ1 LYS 112 HZ1 LYS 112 8.254 4.656 8.854 905 HZ2 LYS 112 HZ2 LYS 112 8.717 6.185 8.300 906 HZ3 LYS 112 HZ3 LYS 112 8.956 5.766 9.921 907 H ASP 113 HN ASP 113 14.074 0.971 8.850 908 HA ASP 113 HA ASP 113 15.967 2.965 9.527 909 HB2 ASP 113 HB2 ASP 113 15.324 0.222 10.474 910 HB3 ASP 113 HB1 ASP 113 16.899 0.888 10.898 911 H ALA 114 HN ALA 114 16.007 0.963 6.945 912 HA ALA 114 HA ALA 114 18.942 0.751 6.975 913 HB1 ALA 114 HB1 ALA 114 18.821 -1.307 6.083 914 HB2 ALA 114 HB2 ALA 114 17.440 -0.899 5.065 915 HB3 ALA 114 HB3 ALA 114 17.196 -1.284 6.769 916 H ASP 115 HN ASP 115 16.123 1.774 5.179 917 HA ASP 115 HA ASP 115 17.264 2.244 2.679 918 HB2 ASP 115 HB2 ASP 115 14.783 2.661 3.859 919 HB3 ASP 115 HB1 ASP 115 15.321 4.282 3.431 920 H2 PRO 59 HT1 PRO 59 -25.600 3.495 7.108 921 H3 PRO 59 HT2 PRO 59 -24.211 2.644 7.338 922 HA PRO 59 HA PRO 59 -24.514 1.753 5.522 923 HB2 PRO 59 HB2 PRO 59 -26.981 0.310 6.020 924 HB3 PRO 59 HB1 PRO 59 -25.330 -0.311 5.896 925 HG2 PRO 59 HG2 PRO 59 -26.713 -0.225 8.238 926 HG3 PRO 59 HG1 PRO 59 -24.946 -0.117 8.143 927 HD2 PRO 59 HD2 PRO 59 -26.965 2.083 8.467 928 HD3 PRO 59 HD1 PRO 59 -25.419 1.848 9.306 929 H GLY 60 HN GLY 60 -25.020 2.976 3.816 930 HA2 GLY 60 HA2 GLY 60 -27.774 4.003 3.586 931 HA3 GLY 60 HA1 GLY 60 -26.364 4.713 2.814 932 H GLU 61 HN GLU 61 -25.176 2.926 1.388 933 HA GLU 61 HA GLU 61 -27.096 1.269 -0.042 934 HB2 GLU 61 HB2 GLU 61 -25.423 3.254 -1.574 935 HB3 GLU 61 HB1 GLU 61 -26.737 2.252 -2.175 936 HG2 GLU 61 HG2 GLU 61 -28.352 3.541 -0.951 937 HG3 GLU 61 HG1 GLU 61 -27.073 4.472 -0.172 938 H GLU 62 HN GLU 62 -23.760 2.489 0.050 939 HA GLU 62 HA GLU 62 -22.829 -0.265 -0.378 940 HB2 GLU 62 HB2 GLU 62 -21.370 2.062 -1.595 941 HB3 GLU 62 HB1 GLU 62 -21.238 0.354 -1.987 942 HG2 GLU 62 HG2 GLU 62 -23.758 1.894 -2.489 943 HG3 GLU 62 HG1 GLU 62 -22.429 1.874 -3.647 944 H GLU 63 HN GLU 63 -20.147 0.090 -0.208 945 HA GLU 63 HA GLU 63 -19.820 1.219 2.491 946 HB2 GLU 63 HB2 GLU 63 -17.667 -0.378 2.269 947 HB3 GLU 63 HB1 GLU 63 -19.207 -0.906 2.920 948 HG2 GLU 63 HG2 GLU 63 -18.620 -1.169 0.004 949 HG3 GLU 63 HG1 GLU 63 -18.012 -2.356 1.157 950 H ASP 64 HN ASP 64 -19.028 1.755 -0.710 951 HA ASP 64 HA ASP 64 -16.351 2.693 -0.378 952 HB2 ASP 64 HB2 ASP 64 -18.409 2.828 -2.544 953 HB3 ASP 64 HB1 ASP 64 -17.031 3.922 -2.620 954 H ASP 65 HN ASP 65 -17.701 3.782 1.689 955 HA ASP 65 HA ASP 65 -17.219 6.549 1.366 956 HB2 ASP 65 HB2 ASP 65 -19.666 5.902 0.387 957 HB3 ASP 65 HB1 ASP 65 -20.070 6.219 2.071 958 H GLU 66 HN GLU 66 -15.983 6.317 3.191 959 HA GLU 66 HA GLU 66 -15.441 6.036 5.390 960 HB2 GLU 66 HB2 GLU 66 -16.805 7.294 6.927 961 HB3 GLU 66 HB1 GLU 66 -16.735 8.155 5.396 962 HG2 GLU 66 HG2 GLU 66 -18.944 7.531 4.837 963 HG3 GLU 66 HG1 GLU 66 -19.016 6.352 6.145 964 H ARG 67 HN ARG 67 -16.552 3.700 4.245 965 HA ARG 67 HA ARG 67 -17.635 2.475 6.644 966 HB2 ARG 67 HB2 ARG 67 -18.757 2.204 3.867 967 HB3 ARG 67 HB1 ARG 67 -19.100 1.037 5.137 968 HG2 ARG 67 HG2 ARG 67 -19.672 3.977 5.398 969 HG3 ARG 67 HG1 ARG 67 -20.842 2.803 4.792 970 HD2 ARG 67 HD2 ARG 67 -19.488 2.635 7.480 971 HD3 ARG 67 HD1 ARG 67 -21.089 3.322 7.213 972 HE ARG 67 HE ARG 67 -20.828 0.652 6.203 973 HH11 ARG 67 HH11 ARG 67 -21.483 2.559 9.051 974 HH12 ARG 67 HH12 ARG 67 -22.383 1.305 9.837 975 HH21 ARG 67 HH21 ARG 67 -22.011 -0.998 7.234 976 HH22 ARG 67 HH22 ARG 67 -22.683 -0.715 8.805 977 H GLY 68 HN GLY 68 -15.872 2.155 3.678 978 HA2 GLY 68 HA2 GLY 68 -14.576 -0.224 4.758 979 HA3 GLY 68 HA1 GLY 68 -15.155 -0.242 3.099 980 H ALA 69 HN ALA 69 -13.932 2.687 4.453 981 HA ALA 69 HA ALA 69 -11.227 2.332 3.544 982 HB1 ALA 69 HB1 ALA 69 -12.262 2.765 1.410 983 HB2 ALA 69 HB2 ALA 69 -11.315 4.173 1.892 984 HB3 ALA 69 HB3 ALA 69 -13.071 4.194 2.055 985 H ASP 70 HN ASP 70 -12.218 2.902 6.057 986 HA ASP 70 HA ASP 70 -10.996 5.485 6.543 987 HB2 ASP 70 HB2 ASP 70 -13.673 5.519 6.202 988 HB3 ASP 70 HB1 ASP 70 -13.595 5.181 7.928 989 H ALA 71 HN ALA 71 -9.922 3.094 7.231 990 HA ALA 71 HA ALA 71 -9.673 3.348 10.067 991 HB1 ALA 71 HB1 ALA 71 -11.758 1.970 9.873 992 HB2 ALA 71 HB2 ALA 71 -10.456 1.187 10.775 993 HB3 ALA 71 HB3 ALA 71 -10.792 0.713 9.101 994 H THR 72 HN THR 72 -7.773 3.706 8.204 995 HA THR 72 HA THR 72 -5.999 1.425 8.667 996 HB THR 72 HB THR 72 -5.146 2.167 6.220 997 HG1 THR 72 HG1 THR 72 -7.073 2.293 4.944 998 HG21 THR 72 HG21 THR 72 -6.827 -0.007 7.216 999 HG22 THR 72 HG22 THR 72 -5.349 -0.051 6.258 1000 HG23 THR 72 HG23 THR 72 -6.896 0.270 5.478 1001 H TRP 73 HN TRP 73 -6.427 4.832 8.371 1002 HA TRP 73 HA TRP 73 -3.556 5.320 8.370 1003 HB2 TRP 73 HB2 TRP 73 -5.429 7.590 8.716 1004 HB3 TRP 73 HB1 TRP 73 -3.979 7.466 7.732 1005 HD1 TRP 73 HD1 TRP 73 -7.040 8.494 6.921 1006 HE1 TRP 73 HE1 TRP 73 -8.028 7.562 4.739 1007 HE3 TRP 73 HE3 TRP 73 -4.101 4.375 6.410 1008 HZ2 TRP 73 HZ2 TRP 73 -7.602 5.365 3.029 1009 HZ3 TRP 73 HZ3 TRP 73 -4.441 2.901 4.472 1010 HH2 TRP 73 HH2 TRP 73 -6.164 3.371 2.830 1011 H ASP 74 HN ASP 74 -5.426 4.304 10.731 1012 HA ASP 74 HA ASP 74 -4.152 6.075 12.706 1013 HB2 ASP 74 HB2 ASP 74 -6.802 6.129 12.313 1014 HB3 ASP 74 HB1 ASP 74 -6.726 4.784 13.447 1015 H LEU 75 HN LEU 75 -3.679 3.258 11.524 1016 HA LEU 75 HA LEU 75 -3.174 2.002 14.124 1017 HB2 LEU 75 HB2 LEU 75 -3.463 -0.230 12.916 1018 HB3 LEU 75 HB1 LEU 75 -4.903 0.650 13.379 1019 HG LEU 75 HG LEU 75 -5.127 -0.347 11.159 1020 HD11 LEU 75 HD11 LEU 75 -5.848 2.157 11.893 1021 HD12 LEU 75 HD12 LEU 75 -6.328 1.385 10.381 1022 HD13 LEU 75 HD13 LEU 75 -4.940 2.473 10.419 1023 HD21 LEU 75 HD21 LEU 75 -2.903 -0.410 10.350 1024 HD22 LEU 75 HD22 LEU 75 -2.727 1.340 10.520 1025 HD23 LEU 75 HD23 LEU 75 -3.798 0.680 9.285 1026 H ASP 76 HN ASP 76 -1.852 3.378 11.524 1027 HA ASP 76 HA ASP 76 0.502 1.651 11.626 1028 HB2 ASP 76 HB2 ASP 76 -0.950 2.091 9.398 1029 HB3 ASP 76 HB1 ASP 76 0.174 3.443 9.295 1030 H LEU 77 HN LEU 77 2.133 3.552 10.148 1031 HA LEU 77 HA LEU 77 3.564 5.265 10.566 1032 HB2 LEU 77 HB2 LEU 77 0.895 6.301 11.378 1033 HB3 LEU 77 HB1 LEU 77 2.307 7.251 11.816 1034 HG LEU 77 HG LEU 77 2.826 6.764 9.195 1035 HD11 LEU 77 HD11 LEU 77 -0.037 6.354 9.600 1036 HD12 LEU 77 HD12 LEU 77 0.997 5.915 8.239 1037 HD13 LEU 77 HD13 LEU 77 0.351 7.551 8.363 1038 HD21 LEU 77 HD21 LEU 77 2.916 8.920 10.379 1039 HD22 LEU 77 HD22 LEU 77 1.161 9.040 10.262 1040 HD23 LEU 77 HD23 LEU 77 2.145 9.051 8.798 1041 H LEU 78 HN LEU 78 4.199 3.398 12.216 1042 HA LEU 78 HA LEU 78 5.327 4.640 14.441 1043 HB2 LEU 78 HB2 LEU 78 3.987 3.284 16.186 1044 HB3 LEU 78 HB1 LEU 78 3.325 4.791 15.584 1045 HG LEU 78 HG LEU 78 2.055 3.288 13.890 1046 HD11 LEU 78 HD11 LEU 78 3.134 1.206 14.258 1047 HD12 LEU 78 HD12 LEU 78 1.504 1.065 14.916 1048 HD13 LEU 78 HD13 LEU 78 2.874 1.305 16.000 1049 HD21 LEU 78 HD21 LEU 78 0.227 3.565 15.188 1050 HD22 LEU 78 HD22 LEU 78 1.345 4.507 16.175 1051 HD23 LEU 78 HD23 LEU 78 0.986 2.834 16.602 1052 H LEU 79 HN LEU 79 6.581 3.165 12.719 1053 HA LEU 79 HA LEU 79 6.821 0.469 13.872 1054 HB2 LEU 79 HB2 LEU 79 7.417 1.546 11.131 1055 HB3 LEU 79 HB1 LEU 79 8.090 0.024 11.681 1056 HG LEU 79 HG LEU 79 5.130 0.594 11.607 1057 HD11 LEU 79 HD11 LEU 79 5.047 -0.687 9.556 1058 HD12 LEU 79 HD12 LEU 79 6.798 -0.889 9.582 1059 HD13 LEU 79 HD13 LEU 79 6.099 0.713 9.351 1060 HD21 LEU 79 HD21 LEU 79 4.813 -1.507 12.350 1061 HD22 LEU 79 HD22 LEU 79 6.446 -1.320 12.991 1062 HD23 LEU 79 HD23 LEU 79 6.191 -2.145 11.453 1063 H THR 80 HN THR 80 9.193 2.201 11.900 1064 HA THR 80 HA THR 80 11.297 1.481 13.678 1065 HB THR 80 HB THR 80 12.774 2.454 12.104 1066 HG1 THR 80 HG1 THR 80 10.533 3.965 11.287 1067 HG21 THR 80 HG21 THR 80 12.351 1.213 10.284 1068 HG22 THR 80 HG22 THR 80 10.731 1.885 10.080 1069 HG23 THR 80 HG23 THR 80 11.009 0.603 11.256 1070 H ASN 81 HN ASN 81 10.001 2.635 15.482 1071 HA ASN 81 HA ASN 81 11.414 5.080 16.070 1072 HB2 ASN 81 HB2 ASN 81 8.402 5.071 15.803 1073 HB3 ASN 81 HB1 ASN 81 9.322 6.354 16.583 1074 HD21 ASN 81 HD21 ASN 81 8.319 4.962 13.616 1075 HD22 ASN 81 HD22 ASN 81 9.017 6.145 12.568 1076 H PHE 82 HN PHE 82 8.382 3.620 17.243 1077 HA PHE 82 HA PHE 82 9.318 3.756 19.966 1078 HB2 PHE 82 HB2 PHE 82 6.764 3.040 18.610 1079 HB3 PHE 82 HB1 PHE 82 7.037 2.400 20.227 1080 HD1 PHE 82 HD2 PHE 82 7.211 3.894 22.144 1081 HD2 PHE 82 HD1 PHE 82 6.395 5.380 18.240 1082 HE1 PHE 82 HE2 PHE 82 6.478 6.032 23.115 1083 HE2 PHE 82 HE1 PHE 82 5.661 7.521 19.205 1084 HZ PHE 82 HZ PHE 82 5.701 7.849 21.646 1085 H SER 83 HN SER 83 8.929 1.310 17.495 1086 HA SER 83 HA SER 83 10.130 -0.655 19.333 1087 HB2 SER 83 HB2 SER 83 7.623 -0.918 18.424 1088 HB3 SER 83 HB1 SER 83 8.480 -1.638 17.061 1089 HG SER 83 HG SER 83 7.848 -2.848 19.239 1090 H GLY 84 HN GLY 84 11.830 -1.839 18.583 1091 HA2 GLY 84 HA2 GLY 84 12.999 -0.934 16.065 1092 HA3 GLY 84 HA1 GLY 84 13.816 -1.856 17.318 1093 HA PRO 85 HA PRO 85 13.252 -5.787 15.417 1094 HB2 PRO 85 HB2 PRO 85 11.132 -6.555 17.367 1095 HB3 PRO 85 HB1 PRO 85 12.611 -7.412 16.917 1096 HG2 PRO 85 HG2 PRO 85 12.449 -6.118 19.237 1097 HG3 PRO 85 HG1 PRO 85 13.947 -6.099 18.287 1098 HD2 PRO 85 HD2 PRO 85 11.887 -3.966 18.626 1099 HD3 PRO 85 HD1 PRO 85 13.648 -3.820 18.457 Start of MODEL 12 1 H2 PRO 1 HT1 PRO 1 0.876 -13.770 8.249 2 H3 PRO 1 HT2 PRO 1 2.120 -13.149 9.126 3 HA PRO 1 HA PRO 1 3.141 -13.533 7.338 4 HB2 PRO 1 HB2 PRO 1 3.965 -16.135 7.755 5 HB3 PRO 1 HB1 PRO 1 4.605 -14.722 8.603 6 HG2 PRO 1 HG2 PRO 1 3.039 -16.837 9.700 7 HG3 PRO 1 HG1 PRO 1 3.597 -15.369 10.517 8 HD2 PRO 1 HD2 PRO 1 0.954 -15.948 9.251 9 HD3 PRO 1 HD1 PRO 1 1.335 -14.926 10.652 10 H SER 2 HN SER 2 0.376 -14.055 6.751 11 HA SER 2 HA SER 2 0.160 -16.498 5.276 12 HB2 SER 2 HB2 SER 2 -1.599 -14.035 5.184 13 HB3 SER 2 HB1 SER 2 -2.008 -15.624 4.539 14 HG SER 2 HG SER 2 -1.771 -16.410 6.727 15 H HIS 3 HN HIS 3 0.422 -13.071 4.357 16 HA HIS 3 HA HIS 3 1.420 -12.092 2.556 17 HB2 HIS 3 HB2 HIS 3 2.071 -14.786 1.394 18 HB3 HIS 3 HB1 HIS 3 2.904 -13.256 1.141 19 HD1 HIS 3 HD1 HIS 3 2.717 -12.939 4.496 20 HD2 HIS 3 HD2 HIS 3 4.684 -15.754 2.156 21 HE1 HIS 3 HE1 HIS 3 4.541 -13.871 5.955 22 HE2 HIS 3 HE2 HIS 3 5.663 -15.632 4.547 23 H SER 4 HN SER 4 -0.187 -15.075 1.549 24 HA SER 4 HA SER 4 -1.295 -13.783 -0.768 25 HB2 SER 4 HB2 SER 4 -2.367 -15.898 -1.264 26 HB3 SER 4 HB1 SER 4 -0.687 -16.192 -0.806 27 HG SER 4 HG SER 4 -2.693 -17.389 0.209 28 H GLY 5 HN GLY 5 -3.216 -12.903 -1.002 29 HA2 GLY 5 HA2 GLY 5 -5.417 -13.447 0.779 30 HA3 GLY 5 HA1 GLY 5 -4.718 -11.843 0.978 31 H ALA 6 HN ALA 6 -7.185 -11.613 0.276 32 HA ALA 6 HA ALA 6 -7.234 -11.453 -2.659 33 HB1 ALA 6 HB1 ALA 6 -9.472 -11.655 -0.663 34 HB2 ALA 6 HB2 ALA 6 -9.027 -12.801 -1.928 35 HB3 ALA 6 HB3 ALA 6 -9.727 -11.239 -2.358 36 H ALA 7 HN ALA 7 -7.673 -9.584 -3.693 37 HA ALA 7 HA ALA 7 -8.406 -7.206 -2.217 38 HB1 ALA 7 HB1 ALA 7 -5.856 -7.523 -2.109 39 HB2 ALA 7 HB2 ALA 7 -6.482 -5.949 -2.597 40 HB3 ALA 7 HB3 ALA 7 -5.876 -7.072 -3.813 41 H ILE 8 HN ILE 8 -8.840 -5.354 -3.647 42 HA ILE 8 HA ILE 8 -9.282 -6.180 -6.433 43 HB ILE 8 HB ILE 8 -11.275 -4.693 -4.723 44 HG12 ILE 8 HG12 ILE 8 -11.938 -7.238 -6.086 45 HG13 ILE 8 HG11 ILE 8 -10.851 -7.353 -4.704 46 HG21 ILE 8 HG21 ILE 8 -11.002 -5.133 -7.634 47 HG22 ILE 8 HG22 ILE 8 -11.745 -3.794 -6.757 48 HG23 ILE 8 HG23 ILE 8 -12.619 -5.314 -6.955 49 HD11 ILE 8 HD11 ILE 8 -12.690 -5.839 -3.580 50 HD12 ILE 8 HD12 ILE 8 -12.848 -7.595 -3.653 51 HD13 ILE 8 HD13 ILE 8 -13.708 -6.583 -4.813 52 H PHE 9 HN PHE 9 -9.113 -4.625 -7.980 53 HA PHE 9 HA PHE 9 -8.559 -1.874 -7.187 54 HB2 PHE 9 HB2 PHE 9 -6.356 -2.917 -7.194 55 HB3 PHE 9 HB1 PHE 9 -6.639 -3.557 -8.810 56 HD1 PHE 9 HD2 PHE 9 -6.842 -1.986 -10.723 57 HD2 PHE 9 HD1 PHE 9 -5.557 -0.729 -6.868 58 HE1 PHE 9 HE2 PHE 9 -5.882 0.057 -11.713 59 HE2 PHE 9 HE1 PHE 9 -4.599 1.317 -7.844 60 HZ PHE 9 HZ PHE 9 -4.760 1.711 -10.272 61 H GLU 10 HN GLU 10 -9.099 -0.369 -8.732 62 HA GLU 10 HA GLU 10 -10.368 0.454 -10.432 63 HB2 GLU 10 HB2 GLU 10 -8.303 -1.261 -11.624 64 HB3 GLU 10 HB1 GLU 10 -9.659 -0.915 -12.686 65 HG2 GLU 10 HG2 GLU 10 -9.336 1.478 -12.311 66 HG3 GLU 10 HG1 GLU 10 -7.955 1.120 -11.274 67 H LYS 11 HN LYS 11 -11.671 -1.546 -8.942 68 HA LYS 11 HA LYS 11 -13.625 -2.702 -8.981 69 HB2 LYS 11 HB2 LYS 11 -14.034 -2.270 -11.901 70 HB3 LYS 11 HB1 LYS 11 -15.194 -2.194 -10.584 71 HG2 LYS 11 HG2 LYS 11 -13.887 -0.065 -9.887 72 HG3 LYS 11 HG1 LYS 11 -13.290 -0.103 -11.548 73 HD2 LYS 11 HD2 LYS 11 -15.147 1.088 -11.993 74 HD3 LYS 11 HD1 LYS 11 -15.949 -0.483 -11.940 75 HE2 LYS 11 HE2 LYS 11 -16.869 -0.098 -9.878 76 HE3 LYS 11 HE1 LYS 11 -15.584 1.007 -9.392 77 HZ1 LYS 11 HZ1 LYS 11 -16.538 2.576 -11.103 78 HZ2 LYS 11 HZ2 LYS 11 -17.476 2.328 -9.718 79 HZ3 LYS 11 HZ3 LYS 11 -17.888 1.557 -11.166 80 H VAL 12 HN VAL 12 -10.942 -3.833 -9.983 81 HA VAL 12 HA VAL 12 -12.087 -6.250 -11.233 82 HB VAL 12 HB VAL 12 -9.208 -5.396 -11.504 83 HG11 VAL 12 HG11 VAL 12 -9.478 -7.707 -11.929 84 HG12 VAL 12 HG12 VAL 12 -9.383 -6.928 -13.508 85 HG13 VAL 12 HG13 VAL 12 -10.946 -7.438 -12.868 86 HG21 VAL 12 HG21 VAL 12 -10.152 -4.916 -13.952 87 HG22 VAL 12 HG22 VAL 12 -10.084 -3.674 -12.702 88 HG23 VAL 12 HG23 VAL 12 -11.597 -4.520 -13.022 89 H SER 13 HN SER 13 -12.098 -7.934 -9.891 90 HA SER 13 HA SER 13 -10.488 -7.854 -7.498 91 HB2 SER 13 HB2 SER 13 -11.698 -9.933 -6.885 92 HB3 SER 13 HB1 SER 13 -12.780 -8.596 -7.276 93 HG SER 13 HG SER 13 -13.408 -9.599 -9.060 94 H GLY 14 HN GLY 14 -9.145 -9.504 -6.775 95 HA2 GLY 14 HA2 GLY 14 -8.206 -11.618 -8.433 96 HA3 GLY 14 HA1 GLY 14 -7.108 -10.244 -8.474 97 H ILE 15 HN ILE 15 -5.843 -12.257 -7.517 98 HA ILE 15 HA ILE 15 -6.178 -12.216 -4.590 99 HB ILE 15 HB ILE 15 -4.396 -14.179 -5.997 100 HG12 ILE 15 HG12 ILE 15 -6.612 -15.666 -5.645 101 HG13 ILE 15 HG11 ILE 15 -7.366 -14.115 -5.998 102 HG21 ILE 15 HG21 ILE 15 -5.751 -13.955 -3.346 103 HG22 ILE 15 HG22 ILE 15 -4.074 -14.362 -3.720 104 HG23 ILE 15 HG23 ILE 15 -5.351 -15.551 -3.981 105 HD11 ILE 15 HD11 ILE 15 -7.209 -14.885 -8.108 106 HD12 ILE 15 HD12 ILE 15 -5.828 -15.921 -7.746 107 HD13 ILE 15 HD13 ILE 15 -5.592 -14.191 -7.990 108 H ILE 16 HN ILE 16 -4.610 -11.475 -3.327 109 HA ILE 16 HA ILE 16 -2.286 -10.263 -4.637 110 HB ILE 16 HB ILE 16 -3.749 -8.734 -3.446 111 HG12 ILE 16 HG12 ILE 16 -1.362 -8.952 -1.655 112 HG13 ILE 16 HG11 ILE 16 -1.143 -8.591 -3.366 113 HG21 ILE 16 HG21 ILE 16 -4.822 -10.063 -1.847 114 HG22 ILE 16 HG22 ILE 16 -3.857 -8.910 -0.923 115 HG23 ILE 16 HG23 ILE 16 -3.297 -10.569 -1.120 116 HD11 ILE 16 HD11 ILE 16 -3.019 -6.796 -2.824 117 HD12 ILE 16 HD12 ILE 16 -1.299 -6.477 -2.579 118 HD13 ILE 16 HD13 ILE 16 -2.314 -6.942 -1.211 119 H ALA 17 HN ALA 17 -0.245 -10.992 -4.164 120 HA ALA 17 HA ALA 17 0.152 -12.584 -1.733 121 HB1 ALA 17 HB1 ALA 17 1.092 -14.434 -2.859 122 HB2 ALA 17 HB2 ALA 17 1.105 -13.577 -4.402 123 HB3 ALA 17 HB3 ALA 17 -0.428 -14.074 -3.680 124 H ILE 18 HN ILE 18 2.073 -12.327 -0.776 125 HA ILE 18 HA ILE 18 4.023 -10.538 -2.038 126 HB ILE 18 HB ILE 18 3.743 -11.475 0.821 127 HG12 ILE 18 HG12 ILE 18 3.714 -8.644 0.514 128 HG13 ILE 18 HG11 ILE 18 2.590 -9.322 -0.661 129 HG21 ILE 18 HG21 ILE 18 5.554 -9.858 1.321 130 HG22 ILE 18 HG22 ILE 18 5.810 -9.659 -0.413 131 HG23 ILE 18 HG23 ILE 18 6.090 -11.226 0.346 132 HD11 ILE 18 HD11 ILE 18 2.532 -10.184 2.197 133 HD12 ILE 18 HD12 ILE 18 1.260 -10.270 0.978 134 HD13 ILE 18 HD13 ILE 18 1.721 -8.712 1.665 135 H ASN 19 HN ASN 19 6.149 -11.089 -2.318 136 HA ASN 19 HA ASN 19 6.837 -13.939 -1.998 137 HB2 ASN 19 HB2 ASN 19 6.626 -12.537 -4.375 138 HB3 ASN 19 HB1 ASN 19 8.355 -12.512 -4.040 139 HD21 ASN 19 HD21 ASN 19 8.562 -14.970 -2.718 140 HD22 ASN 19 HD22 ASN 19 8.288 -16.230 -3.867 141 H GLU 20 HN GLU 20 8.211 -14.153 -0.401 142 HA GLU 20 HA GLU 20 10.280 -12.106 -0.029 143 HB2 GLU 20 HB2 GLU 20 8.574 -12.951 1.848 144 HB3 GLU 20 HB1 GLU 20 9.801 -14.196 2.037 145 HG2 GLU 20 HG2 GLU 20 11.492 -12.428 2.367 146 HG3 GLU 20 HG1 GLU 20 10.206 -11.224 2.281 147 H ASP 21 HN ASP 21 10.267 -14.225 -1.992 148 HA ASP 21 HA ASP 21 12.437 -15.969 -1.073 149 HB2 ASP 21 HB2 ASP 21 10.550 -16.078 -3.416 150 HB3 ASP 21 HB1 ASP 21 12.016 -17.052 -3.381 151 H VAL 22 HN VAL 22 11.750 -13.259 -3.098 152 HA VAL 22 HA VAL 22 14.399 -13.446 -4.363 153 HB VAL 22 HB VAL 22 13.193 -11.172 -5.398 154 HG11 VAL 22 HG11 VAL 22 13.635 -13.957 -6.341 155 HG12 VAL 22 HG12 VAL 22 14.348 -12.445 -6.903 156 HG13 VAL 22 HG13 VAL 22 12.694 -12.860 -7.352 157 HG21 VAL 22 HG21 VAL 22 11.114 -13.319 -5.019 158 HG22 VAL 22 HG22 VAL 22 10.978 -12.014 -6.198 159 HG23 VAL 22 HG23 VAL 22 11.043 -11.642 -4.476 160 H SER 23 HN SER 23 15.608 -11.329 -4.574 161 HA SER 23 HA SER 23 16.336 -10.339 -2.116 162 HB2 SER 23 HB2 SER 23 16.739 -9.476 -4.903 163 HB3 SER 23 HB1 SER 23 16.913 -8.199 -3.699 164 HG SER 23 HG SER 23 18.201 -10.704 -3.446 165 HA PRO 24 HA PRO 24 13.430 -6.603 -2.361 166 HB2 PRO 24 HB2 PRO 24 12.066 -5.998 -4.578 167 HB3 PRO 24 HB1 PRO 24 13.770 -5.547 -4.400 168 HG2 PRO 24 HG2 PRO 24 12.557 -7.818 -5.922 169 HG3 PRO 24 HG1 PRO 24 13.909 -6.764 -6.373 170 HD2 PRO 24 HD2 PRO 24 14.189 -9.302 -5.326 171 HD3 PRO 24 HD1 PRO 24 15.425 -8.034 -5.235 172 H ALA 25 HN ALA 25 12.275 -8.133 -1.032 173 HA ALA 25 HA ALA 25 10.364 -9.944 -1.765 174 HB1 ALA 25 HB1 ALA 25 9.816 -10.038 0.403 175 HB2 ALA 25 HB2 ALA 25 9.522 -8.303 0.510 176 HB3 ALA 25 HB3 ALA 25 11.168 -8.928 0.622 177 H GLU 26 HN GLU 26 9.077 -9.500 -3.424 178 HA GLU 26 HA GLU 26 7.392 -7.099 -3.259 179 HB2 GLU 26 HB2 GLU 26 7.169 -7.520 -5.800 180 HB3 GLU 26 HB1 GLU 26 8.648 -6.796 -5.162 181 HG2 GLU 26 HG2 GLU 26 9.910 -8.566 -5.741 182 HG3 GLU 26 HG1 GLU 26 8.650 -9.735 -5.352 183 H LEU 27 HN LEU 27 5.260 -7.346 -4.545 184 HA LEU 27 HA LEU 27 4.149 -10.008 -4.196 185 HB2 LEU 27 HB2 LEU 27 2.257 -9.219 -2.984 186 HB3 LEU 27 HB1 LEU 27 3.681 -8.603 -2.171 187 HG LEU 27 HG LEU 27 3.245 -6.459 -3.600 188 HD11 LEU 27 HD11 LEU 27 1.508 -6.742 -4.997 189 HD12 LEU 27 HD12 LEU 27 0.535 -6.407 -3.565 190 HD13 LEU 27 HD13 LEU 27 0.835 -8.074 -4.058 191 HD21 LEU 27 HD21 LEU 27 2.778 -7.144 -1.020 192 HD22 LEU 27 HD22 LEU 27 1.159 -6.681 -1.543 193 HD23 LEU 27 HD23 LEU 27 2.494 -5.538 -1.691 194 H THR 28 HN THR 28 2.496 -10.528 -5.624 195 HA THR 28 HA THR 28 1.855 -8.422 -7.560 196 HB THR 28 HB THR 28 2.447 -11.305 -8.147 197 HG1 THR 28 HG1 THR 28 4.250 -9.930 -7.978 198 HG21 THR 28 HG21 THR 28 0.549 -10.503 -9.514 199 HG22 THR 28 HG22 THR 28 1.986 -10.915 -10.450 200 HG23 THR 28 HG23 THR 28 1.598 -9.225 -10.128 201 H TRP 29 HN TRP 29 -0.134 -8.423 -8.475 202 HA TRP 29 HA TRP 29 -2.163 -9.941 -6.977 203 HB2 TRP 29 HB2 TRP 29 -2.136 -7.552 -6.487 204 HB3 TRP 29 HB1 TRP 29 -2.290 -7.184 -8.201 205 HD1 TRP 29 HD1 TRP 29 -4.302 -8.371 -5.200 206 HE1 TRP 29 HE1 TRP 29 -6.797 -8.184 -5.764 207 HE3 TRP 29 HE3 TRP 29 -3.911 -7.261 -10.180 208 HZ2 TRP 29 HZ2 TRP 29 -8.399 -7.635 -8.016 209 HZ3 TRP 29 HZ3 TRP 29 -5.998 -6.923 -11.460 210 HH2 TRP 29 HH2 TRP 29 -8.183 -7.110 -10.404 211 H ARG 30 HN ARG 30 -2.936 -11.539 -8.227 212 HA ARG 30 HA ARG 30 -3.299 -11.048 -11.097 213 HB2 ARG 30 HB2 ARG 30 -2.010 -13.065 -10.299 214 HB3 ARG 30 HB1 ARG 30 -3.518 -13.681 -9.636 215 HG2 ARG 30 HG2 ARG 30 -4.235 -13.112 -12.202 216 HG3 ARG 30 HG1 ARG 30 -2.557 -13.625 -12.395 217 HD2 ARG 30 HD2 ARG 30 -3.626 -15.646 -12.537 218 HD3 ARG 30 HD1 ARG 30 -3.309 -15.575 -10.804 219 HE ARG 30 HE ARG 30 -5.783 -14.430 -11.146 220 HH11 ARG 30 HH11 ARG 30 -4.332 -17.526 -11.846 221 HH12 ARG 30 HH12 ARG 30 -5.815 -18.401 -11.671 222 HH21 ARG 30 HH21 ARG 30 -7.735 -15.580 -10.915 223 HH22 ARG 30 HH22 ARG 30 -7.748 -17.297 -11.143 224 H SER 31 HN SER 31 -5.268 -10.622 -11.871 225 HA SER 31 HA SER 31 -7.542 -10.250 -10.408 226 HB2 SER 31 HB2 SER 31 -8.597 -9.863 -12.399 227 HB3 SER 31 HB1 SER 31 -6.940 -9.901 -12.996 228 HG SER 31 HG SER 31 -8.976 -11.513 -13.622 229 H THR 32 HN THR 32 -9.603 -11.448 -10.383 230 HA THR 32 HA THR 32 -9.214 -14.091 -9.421 231 HB THR 32 HB THR 32 -11.859 -14.012 -9.589 232 HG1 THR 32 HG1 THR 32 -11.692 -12.031 -10.874 233 HG21 THR 32 HG21 THR 32 -10.686 -12.051 -7.676 234 HG22 THR 32 HG22 THR 32 -10.317 -13.769 -7.526 235 HG23 THR 32 HG23 THR 32 -11.989 -13.215 -7.437 236 H ASP 33 HN ASP 33 -10.421 -12.733 -12.395 237 HA ASP 33 HA ASP 33 -11.176 -15.285 -13.475 238 HB2 ASP 33 HB2 ASP 33 -10.942 -12.664 -14.951 239 HB3 ASP 33 HB1 ASP 33 -11.870 -14.081 -15.432 240 H GLY 34 HN GLY 34 -8.341 -13.385 -13.324 241 HA2 GLY 34 HA2 GLY 34 -6.198 -14.066 -13.953 242 HA3 GLY 34 HA1 GLY 34 -6.914 -15.346 -14.921 243 H ASP 35 HN ASP 35 -8.195 -12.182 -15.336 244 HA ASP 35 HA ASP 35 -7.200 -12.124 -18.032 245 HB2 ASP 35 HB2 ASP 35 -8.716 -10.218 -18.336 246 HB3 ASP 35 HB1 ASP 35 -9.551 -11.592 -17.617 247 H LYS 36 HN LYS 36 -6.607 -10.530 -15.021 248 HA LYS 36 HA LYS 36 -4.433 -9.038 -16.287 249 HB2 LYS 36 HB2 LYS 36 -4.959 -7.007 -15.143 250 HB3 LYS 36 HB1 LYS 36 -6.381 -7.526 -16.035 251 HG2 LYS 36 HG2 LYS 36 -7.442 -8.283 -14.040 252 HG3 LYS 36 HG1 LYS 36 -5.967 -8.030 -13.102 253 HD2 LYS 36 HD2 LYS 36 -7.503 -5.857 -14.514 254 HD3 LYS 36 HD1 LYS 36 -7.645 -6.231 -12.795 255 HE2 LYS 36 HE2 LYS 36 -6.062 -4.635 -12.596 256 HE3 LYS 36 HE1 LYS 36 -4.976 -5.964 -12.999 257 HZ1 LYS 36 HZ1 LYS 36 -4.302 -4.506 -14.562 258 HZ2 LYS 36 HZ2 LYS 36 -5.769 -3.666 -14.596 259 HZ3 LYS 36 HZ3 LYS 36 -5.614 -5.130 -15.429 260 H VAL 37 HN VAL 37 -2.711 -8.475 -14.912 261 HA VAL 37 HA VAL 37 -2.723 -9.523 -12.197 262 HB VAL 37 HB VAL 37 -0.517 -10.310 -14.097 263 HG11 VAL 37 HG11 VAL 37 -0.277 -12.067 -12.184 264 HG12 VAL 37 HG12 VAL 37 -1.182 -10.881 -11.243 265 HG13 VAL 37 HG13 VAL 37 0.362 -10.437 -11.971 266 HG21 VAL 37 HG21 VAL 37 -2.363 -11.483 -14.950 267 HG22 VAL 37 HG22 VAL 37 -3.019 -11.791 -13.342 268 HG23 VAL 37 HG23 VAL 37 -1.561 -12.628 -13.875 269 H HIS 38 HN HIS 38 -1.934 -7.937 -10.948 270 HA HIS 38 HA HIS 38 0.028 -6.098 -12.140 271 HB2 HIS 38 HB2 HIS 38 -2.214 -5.194 -11.335 272 HB3 HIS 38 HB1 HIS 38 -1.657 -5.543 -9.702 273 HD1 HIS 38 HD1 HIS 38 -1.104 -3.342 -8.709 274 HD2 HIS 38 HD2 HIS 38 0.314 -3.690 -12.599 275 HE1 HIS 38 HE1 HIS 38 0.213 -1.243 -9.134 276 HE2 HIS 38 HE2 HIS 38 1.133 -1.515 -11.464 277 H THR 39 HN THR 39 1.992 -6.626 -11.592 278 HA THR 39 HA THR 39 2.638 -7.842 -9.000 279 HB THR 39 HB THR 39 4.293 -7.222 -11.468 280 HG1 THR 39 HG1 THR 39 4.290 -9.466 -11.689 281 HG21 THR 39 HG21 THR 39 5.772 -9.022 -10.112 282 HG22 THR 39 HG22 THR 39 5.149 -8.039 -8.787 283 HG23 THR 39 HG23 THR 39 6.057 -7.281 -10.096 284 H VAL 40 HN VAL 40 2.759 -6.374 -7.385 285 HA VAL 40 HA VAL 40 4.021 -3.777 -7.922 286 HB VAL 40 HB VAL 40 2.526 -4.614 -5.434 287 HG11 VAL 40 HG11 VAL 40 2.695 -1.783 -6.157 288 HG12 VAL 40 HG12 VAL 40 4.252 -2.527 -5.792 289 HG13 VAL 40 HG13 VAL 40 2.950 -2.576 -4.602 290 HG21 VAL 40 HG21 VAL 40 0.558 -4.047 -6.358 291 HG22 VAL 40 HG22 VAL 40 1.382 -4.315 -7.893 292 HG23 VAL 40 HG23 VAL 40 1.253 -2.684 -7.236 293 H VAL 41 HN VAL 41 6.164 -3.808 -7.602 294 HA VAL 41 HA VAL 41 7.321 -5.674 -5.763 295 HB VAL 41 HB VAL 41 8.491 -5.165 -7.854 296 HG11 VAL 41 HG11 VAL 41 9.520 -2.584 -6.896 297 HG12 VAL 41 HG12 VAL 41 7.835 -2.584 -7.416 298 HG13 VAL 41 HG13 VAL 41 9.101 -3.109 -8.526 299 HG21 VAL 41 HG21 VAL 41 10.288 -5.859 -6.738 300 HG22 VAL 41 HG22 VAL 41 9.636 -5.227 -5.229 301 HG23 VAL 41 HG23 VAL 41 10.620 -4.195 -6.265 302 H LEU 42 HN LEU 42 7.171 -5.347 -3.703 303 HA LEU 42 HA LEU 42 6.665 -3.059 -2.292 304 HB2 LEU 42 HB2 LEU 42 8.135 -5.570 -1.643 305 HB3 LEU 42 HB1 LEU 42 8.080 -4.284 -0.460 306 HG LEU 42 HG LEU 42 5.504 -4.407 -0.779 307 HD11 LEU 42 HD11 LEU 42 5.598 -5.895 -2.749 308 HD12 LEU 42 HD12 LEU 42 4.645 -6.567 -1.426 309 HD13 LEU 42 HD13 LEU 42 6.275 -7.164 -1.727 310 HD21 LEU 42 HD21 LEU 42 6.070 -5.022 1.320 311 HD22 LEU 42 HD22 LEU 42 7.332 -6.126 0.774 312 HD23 LEU 42 HD23 LEU 42 5.641 -6.625 0.721 313 H SER 43 HN SER 43 9.604 -4.024 -3.817 314 HA SER 43 HA SER 43 11.513 -2.643 -2.346 315 HB2 SER 43 HB2 SER 43 12.958 -3.171 -4.029 316 HB3 SER 43 HB1 SER 43 11.620 -4.190 -4.554 317 HG SER 43 HG SER 43 12.673 -1.947 -5.713 318 H THR 44 HN THR 44 9.817 -1.560 -5.236 319 HA THR 44 HA THR 44 10.706 1.126 -5.019 320 HB THR 44 HB THR 44 8.734 1.455 -6.667 321 HG1 THR 44 HG1 THR 44 8.097 -0.513 -7.648 322 HG21 THR 44 HG21 THR 44 10.362 1.387 -8.153 323 HG22 THR 44 HG22 THR 44 10.235 -0.371 -8.186 324 HG23 THR 44 HG23 THR 44 11.343 0.412 -7.060 325 H ILE 45 HN ILE 45 8.229 -0.746 -3.541 326 HA ILE 45 HA ILE 45 6.651 1.614 -2.829 327 HB ILE 45 HB ILE 45 6.175 -1.202 -1.873 328 HG12 ILE 45 HG12 ILE 45 6.271 -1.146 -4.351 329 HG13 ILE 45 HG11 ILE 45 4.657 -1.506 -3.750 330 HG21 ILE 45 HG21 ILE 45 4.138 0.951 -2.324 331 HG22 ILE 45 HG22 ILE 45 5.060 0.859 -0.823 332 HG23 ILE 45 HG23 ILE 45 4.029 -0.487 -1.308 333 HD11 ILE 45 HD11 ILE 45 5.659 1.072 -4.914 334 HD12 ILE 45 HD12 ILE 45 4.116 0.925 -4.072 335 HD13 ILE 45 HD13 ILE 45 4.408 0.002 -5.547 336 H ASP 46 HN ASP 46 7.828 2.803 -1.403 337 HA ASP 46 HA ASP 46 9.108 1.523 0.867 338 HB2 ASP 46 HB2 ASP 46 9.004 4.377 -0.100 339 HB3 ASP 46 HB1 ASP 46 9.782 3.909 1.409 340 H LYS 47 HN LYS 47 6.007 2.401 0.262 341 HA LYS 47 HA LYS 47 5.489 2.790 3.117 342 HB2 LYS 47 HB2 LYS 47 5.048 4.764 1.042 343 HB3 LYS 47 HB1 LYS 47 3.550 4.351 1.867 344 HG2 LYS 47 HG2 LYS 47 4.220 5.973 3.272 345 HG3 LYS 47 HG1 LYS 47 5.149 4.656 3.991 346 HD2 LYS 47 HD2 LYS 47 6.559 6.609 3.681 347 HD3 LYS 47 HD1 LYS 47 7.088 5.300 2.622 348 HE2 LYS 47 HE2 LYS 47 6.535 6.421 0.741 349 HE3 LYS 47 HE1 LYS 47 5.105 7.150 1.472 350 HZ1 LYS 47 HZ1 LYS 47 6.565 8.914 1.105 351 HZ2 LYS 47 HZ2 LYS 47 7.915 8.052 1.650 352 HZ3 LYS 47 HZ3 LYS 47 6.746 8.577 2.754 353 H LEU 48 HN LEU 48 3.611 1.935 3.866 354 HA LEU 48 HA LEU 48 1.604 0.893 2.082 355 HB2 LEU 48 HB2 LEU 48 1.804 -1.403 2.616 356 HB3 LEU 48 HB1 LEU 48 3.395 -0.863 2.124 357 HG LEU 48 HG LEU 48 3.788 -2.275 3.941 358 HD11 LEU 48 HD11 LEU 48 3.702 0.275 5.477 359 HD12 LEU 48 HD12 LEU 48 4.740 0.152 4.058 360 HD13 LEU 48 HD13 LEU 48 4.955 -0.961 5.406 361 HD21 LEU 48 HD21 LEU 48 1.179 -1.516 4.740 362 HD22 LEU 48 HD22 LEU 48 2.271 -1.204 6.090 363 HD23 LEU 48 HD23 LEU 48 2.192 -2.813 5.372 364 H GLN 49 HN GLN 49 -0.381 0.696 3.095 365 HA GLN 49 HA GLN 49 -0.439 0.815 6.016 366 HB2 GLN 49 HB2 GLN 49 -2.112 2.758 4.454 367 HB3 GLN 49 HB1 GLN 49 -1.718 2.774 6.166 368 HG2 GLN 49 HG2 GLN 49 -0.366 4.444 5.419 369 HG3 GLN 49 HG1 GLN 49 0.730 3.071 5.277 370 HE21 GLN 49 HE21 GLN 49 1.934 3.396 3.547 371 HE22 GLN 49 HE22 GLN 49 1.361 3.856 1.984 372 H ALA 50 HN ALA 50 -2.477 0.373 6.961 373 HA ALA 50 HA ALA 50 -4.488 -0.857 5.207 374 HB1 ALA 50 HB1 ALA 50 -3.701 -2.129 7.813 375 HB2 ALA 50 HB2 ALA 50 -2.905 -2.553 6.299 376 HB3 ALA 50 HB3 ALA 50 -4.637 -2.818 6.487 377 H THR 51 HN THR 51 -6.638 -0.958 6.213 378 HA THR 51 HA THR 51 -7.075 1.372 7.813 379 HB THR 51 HB THR 51 -9.520 0.255 7.745 380 HG1 THR 51 HG1 THR 51 -9.657 -1.268 6.322 381 HG21 THR 51 HG21 THR 51 -9.993 1.577 5.829 382 HG22 THR 51 HG22 THR 51 -8.301 1.573 5.326 383 HG23 THR 51 HG23 THR 51 -8.789 2.437 6.781 384 HA PRO 52 HA PRO 52 -7.023 -0.768 11.721 385 HB2 PRO 52 HB2 PRO 52 -6.806 1.365 13.241 386 HB3 PRO 52 HB1 PRO 52 -5.534 1.016 12.061 387 HG2 PRO 52 HG2 PRO 52 -7.771 2.996 11.905 388 HG3 PRO 52 HG1 PRO 52 -6.083 3.177 11.403 389 HD2 PRO 52 HD2 PRO 52 -8.235 2.505 9.737 390 HD3 PRO 52 HD1 PRO 52 -6.517 2.331 9.342 391 H ALA 53 HN ALA 53 -8.219 -0.721 13.779 392 HA ALA 53 HA ALA 53 -10.901 -1.064 13.619 393 HB1 ALA 53 HB1 ALA 53 -11.013 -0.838 16.010 394 HB2 ALA 53 HB2 ALA 53 -9.511 0.087 16.030 395 HB3 ALA 53 HB3 ALA 53 -9.492 -1.616 15.573 396 H SER 54 HN SER 54 -9.356 1.963 13.313 397 HA SER 54 HA SER 54 -11.238 3.753 14.357 398 HB2 SER 54 HB2 SER 54 -9.537 4.022 11.889 399 HB3 SER 54 HB1 SER 54 -10.271 5.359 12.780 400 HG SER 54 HG SER 54 -7.929 4.635 13.189 401 H SER 55 HN SER 55 -11.097 1.886 11.484 402 HA SER 55 HA SER 55 -13.834 2.683 10.809 403 HB2 SER 55 HB2 SER 55 -11.390 2.909 9.156 404 HB3 SER 55 HB1 SER 55 -12.827 2.284 8.347 405 HG SER 55 HG SER 55 -13.294 4.334 8.167 406 H GLU 56 HN GLU 56 -15.120 1.037 10.075 407 HA GLU 56 HA GLU 56 -14.275 -1.631 10.581 408 HB2 GLU 56 HB2 GLU 56 -16.646 -0.649 10.750 409 HB3 GLU 56 HB1 GLU 56 -16.728 -0.874 9.008 410 HG2 GLU 56 HG2 GLU 56 -16.380 -3.252 9.264 411 HG3 GLU 56 HG1 GLU 56 -16.187 -3.058 11.006 412 H LYS 57 HN LYS 57 -13.676 0.384 8.005 413 HA LYS 57 HA LYS 57 -14.052 -1.119 5.724 414 HB2 LYS 57 HB2 LYS 57 -11.615 0.589 6.217 415 HB3 LYS 57 HB1 LYS 57 -12.382 0.237 4.679 416 HG2 LYS 57 HG2 LYS 57 -12.971 2.302 6.655 417 HG3 LYS 57 HG1 LYS 57 -13.247 2.277 4.923 418 HD2 LYS 57 HD2 LYS 57 -15.419 1.933 5.268 419 HD3 LYS 57 HD1 LYS 57 -15.069 0.446 6.139 420 HE2 LYS 57 HE2 LYS 57 -15.364 1.408 8.153 421 HE3 LYS 57 HE1 LYS 57 -14.588 2.912 7.658 422 HZ1 LYS 57 HZ1 LYS 57 -16.539 3.803 6.982 423 HZ2 LYS 57 HZ2 LYS 57 -17.169 2.745 8.141 424 HZ3 LYS 57 HZ3 LYS 57 -17.202 2.321 6.504 425 H MET 58 HN MET 58 -11.829 -1.664 4.430 426 HA MET 58 HA MET 58 -9.901 -3.183 5.878 427 HB2 MET 58 HB2 MET 58 -10.640 -5.333 4.532 428 HB3 MET 58 HB1 MET 58 -11.327 -4.976 6.110 429 HG2 MET 58 HG2 MET 58 -12.764 -3.809 3.835 430 HG3 MET 58 HG1 MET 58 -12.761 -5.571 3.901 431 HE1 MET 58 HE1 MET 58 -15.008 -6.488 4.707 432 HE2 MET 58 HE2 MET 58 -15.419 -4.973 3.895 433 HE3 MET 58 HE3 MET 58 -16.181 -5.385 5.432 434 H MET 59 HN MET 59 -8.848 -1.528 4.534 435 HA MET 59 HA MET 59 -8.413 -2.499 1.787 436 HB2 MET 59 HB2 MET 59 -8.024 -0.094 1.183 437 HB3 MET 59 HB1 MET 59 -9.680 -0.473 1.637 438 HG2 MET 59 HG2 MET 59 -8.347 0.260 3.997 439 HG3 MET 59 HG1 MET 59 -7.879 1.432 2.773 440 HE1 MET 59 HE1 MET 59 -9.535 3.809 2.893 441 HE2 MET 59 HE2 MET 59 -8.697 3.100 4.268 442 HE3 MET 59 HE3 MET 59 -10.371 3.621 4.432 443 H LEU 60 HN LEU 60 -6.342 -1.835 0.846 444 HA LEU 60 HA LEU 60 -4.219 -1.362 2.815 445 HB2 LEU 60 HB2 LEU 60 -4.332 -3.546 0.742 446 HB3 LEU 60 HB1 LEU 60 -2.812 -2.983 1.407 447 HG LEU 60 HG LEU 60 -5.043 -4.404 2.848 448 HD11 LEU 60 HD11 LEU 60 -3.697 -6.047 1.984 449 HD12 LEU 60 HD12 LEU 60 -2.887 -5.746 3.522 450 HD13 LEU 60 HD13 LEU 60 -2.250 -5.040 2.037 451 HD21 LEU 60 HD21 LEU 60 -4.345 -2.616 4.302 452 HD22 LEU 60 HD22 LEU 60 -2.648 -3.008 4.028 453 HD23 LEU 60 HD23 LEU 60 -3.686 -4.140 4.895 454 H ARG 61 HN ARG 61 -2.990 0.317 2.217 455 HA ARG 61 HA ARG 61 -2.903 1.019 -0.650 456 HB2 ARG 61 HB2 ARG 61 -4.141 2.713 0.506 457 HB3 ARG 61 HB1 ARG 61 -2.932 2.813 1.779 458 HG2 ARG 61 HG2 ARG 61 -1.671 4.248 0.626 459 HG3 ARG 61 HG1 ARG 61 -1.850 3.342 -0.876 460 HD2 ARG 61 HD2 ARG 61 -3.725 4.501 -1.511 461 HD3 ARG 61 HD1 ARG 61 -4.180 4.884 0.148 462 HE ARG 61 HE ARG 61 -1.900 6.287 -0.190 463 HH11 ARG 61 HH11 ARG 61 -4.845 6.062 -2.051 464 HH12 ARG 61 HH12 ARG 61 -4.736 7.682 -2.652 465 HH21 ARG 61 HH21 ARG 61 -1.756 8.418 -0.980 466 HH22 ARG 61 HH22 ARG 61 -2.982 9.019 -2.045 467 H LEU 62 HN LEU 62 -0.953 1.200 -1.578 468 HA LEU 62 HA LEU 62 1.417 1.339 0.160 469 HB2 LEU 62 HB2 LEU 62 2.245 -0.074 -2.085 470 HB3 LEU 62 HB1 LEU 62 1.990 -0.717 -0.475 471 HG LEU 62 HG LEU 62 -0.344 -0.554 -2.328 472 HD11 LEU 62 HD11 LEU 62 1.196 -1.559 -3.797 473 HD12 LEU 62 HD12 LEU 62 0.281 -2.888 -3.085 474 HD13 LEU 62 HD13 LEU 62 1.910 -2.531 -2.510 475 HD21 LEU 62 HD21 LEU 62 -1.245 -2.178 -0.983 476 HD22 LEU 62 HD22 LEU 62 -0.240 -1.314 0.181 477 HD23 LEU 62 HD23 LEU 62 0.329 -2.827 -0.524 478 H ILE 63 HN ILE 63 2.680 3.005 -0.308 479 HA ILE 63 HA ILE 63 2.257 4.444 -2.803 480 HB ILE 63 HB ILE 63 4.141 5.274 -0.615 481 HG12 ILE 63 HG12 ILE 63 2.169 5.071 0.614 482 HG13 ILE 63 HG11 ILE 63 2.135 6.746 0.083 483 HG21 ILE 63 HG21 ILE 63 4.552 6.768 -2.250 484 HG22 ILE 63 HG22 ILE 63 3.088 7.532 -1.632 485 HG23 ILE 63 HG23 ILE 63 3.005 6.483 -3.048 486 HD11 ILE 63 HD11 ILE 63 0.800 5.459 -1.928 487 HD12 ILE 63 HD12 ILE 63 0.057 6.305 -0.572 488 HD13 ILE 63 HD13 ILE 63 0.307 4.561 -0.492 489 H GLY 64 HN GLY 64 3.822 4.910 -4.280 490 HA2 GLY 64 HA2 GLY 64 6.054 3.012 -4.334 491 HA3 GLY 64 HA1 GLY 64 5.428 3.905 -5.710 492 H LYS 65 HN LYS 65 6.955 4.551 -2.551 493 HA LYS 65 HA LYS 65 8.581 6.012 -1.924 494 HB2 LYS 65 HB2 LYS 65 9.351 5.598 -4.811 495 HB3 LYS 65 HB1 LYS 65 10.324 6.536 -3.687 496 HG2 LYS 65 HG2 LYS 65 9.706 4.006 -2.512 497 HG3 LYS 65 HG1 LYS 65 10.368 3.760 -4.128 498 HD2 LYS 65 HD2 LYS 65 11.626 5.405 -1.932 499 HD3 LYS 65 HD1 LYS 65 12.134 3.791 -2.435 500 HE2 LYS 65 HE2 LYS 65 12.405 4.835 -4.770 501 HE3 LYS 65 HE1 LYS 65 12.341 6.384 -3.930 502 HZ1 LYS 65 HZ1 LYS 65 14.608 5.233 -4.355 503 HZ2 LYS 65 HZ2 LYS 65 14.205 4.312 -2.995 504 HZ3 LYS 65 HZ3 LYS 65 14.323 5.994 -2.871 505 H VAL 66 HN VAL 66 9.718 8.201 -2.762 506 HA VAL 66 HA VAL 66 7.722 9.901 -4.066 507 HB VAL 66 HB VAL 66 8.084 11.661 -2.318 508 HG11 VAL 66 HG11 VAL 66 6.239 9.703 -2.424 509 HG12 VAL 66 HG12 VAL 66 6.233 10.988 -1.217 510 HG13 VAL 66 HG13 VAL 66 6.911 9.409 -0.821 511 HG21 VAL 66 HG21 VAL 66 10.109 10.927 -1.297 512 HG22 VAL 66 HG22 VAL 66 9.405 9.363 -0.885 513 HG23 VAL 66 HG23 VAL 66 8.839 10.825 -0.077 514 H ASP 67 HN ASP 67 8.659 12.170 -4.404 515 HA ASP 67 HA ASP 67 11.556 12.029 -4.896 516 HB2 ASP 67 HB2 ASP 67 9.351 12.633 -6.812 517 HB3 ASP 67 HB1 ASP 67 10.864 13.517 -6.985 518 H GLU 68 HN GLU 68 10.583 13.223 -2.653 519 HA GLU 68 HA GLU 68 10.162 16.030 -3.087 520 HB2 GLU 68 HB2 GLU 68 9.976 16.205 -0.703 521 HB3 GLU 68 HB1 GLU 68 9.107 14.769 -1.221 522 HG2 GLU 68 HG2 GLU 68 10.327 13.473 0.090 523 HG3 GLU 68 HG1 GLU 68 11.826 14.103 -0.590 524 H SER 69 HN SER 69 12.864 14.278 -3.435 525 HA SER 69 HA SER 69 14.622 16.184 -2.120 526 HB2 SER 69 HB2 SER 69 15.084 13.416 -3.208 527 HB3 SER 69 HB1 SER 69 16.420 14.483 -2.777 528 HG SER 69 HG SER 69 14.349 13.580 -1.059 529 H LYS 70 HN LYS 70 13.756 14.851 -5.200 530 HA LYS 70 HA LYS 70 15.520 16.742 -6.558 531 HB2 LYS 70 HB2 LYS 70 15.319 15.291 -8.525 532 HB3 LYS 70 HB1 LYS 70 15.932 14.401 -7.136 533 HG2 LYS 70 HG2 LYS 70 13.073 14.254 -7.195 534 HG3 LYS 70 HG1 LYS 70 13.735 13.766 -8.758 535 HD2 LYS 70 HD2 LYS 70 14.746 12.686 -6.134 536 HD3 LYS 70 HD1 LYS 70 13.449 11.920 -7.054 537 HE2 LYS 70 HE2 LYS 70 15.062 10.798 -8.113 538 HE3 LYS 70 HE1 LYS 70 15.413 12.313 -8.945 539 HZ1 LYS 70 HZ1 LYS 70 16.889 10.971 -6.834 540 HZ2 LYS 70 HZ2 LYS 70 16.798 12.655 -6.705 541 HZ3 LYS 70 HZ3 LYS 70 17.450 11.949 -8.097 542 H LYS 71 HN LYS 71 12.580 16.777 -5.442 543 HA LYS 71 HA LYS 71 10.748 17.112 -7.469 544 HB2 LYS 71 HB2 LYS 71 9.386 18.203 -5.908 545 HB3 LYS 71 HB1 LYS 71 10.382 17.115 -4.954 546 HG2 LYS 71 HG2 LYS 71 11.671 19.669 -5.174 547 HG3 LYS 71 HG1 LYS 71 10.017 19.872 -4.598 548 HD2 LYS 71 HD2 LYS 71 10.572 17.971 -2.963 549 HD3 LYS 71 HD1 LYS 71 12.256 18.291 -3.384 550 HE2 LYS 71 HE2 LYS 71 11.767 20.722 -2.799 551 HE3 LYS 71 HE1 LYS 71 10.277 20.129 -2.066 552 HZ1 LYS 71 HZ1 LYS 71 12.780 18.825 -1.301 553 HZ2 LYS 71 HZ2 LYS 71 11.395 19.130 -0.379 554 HZ3 LYS 71 HZ3 LYS 71 12.492 20.378 -0.694 555 H ARG 72 HN ARG 72 9.675 19.646 -7.269 556 HA ARG 72 HA ARG 72 11.701 21.306 -8.617 557 HB2 ARG 72 HB2 ARG 72 8.728 21.558 -9.031 558 HB3 ARG 72 HB1 ARG 72 10.027 22.172 -10.045 559 HG2 ARG 72 HG2 ARG 72 9.405 20.389 -11.298 560 HG3 ARG 72 HG1 ARG 72 10.582 19.590 -10.254 561 HD2 ARG 72 HD2 ARG 72 8.892 18.137 -9.913 562 HD3 ARG 72 HD1 ARG 72 8.370 19.346 -8.741 563 HE ARG 72 HE ARG 72 6.538 19.715 -10.039 564 HH11 ARG 72 HH11 ARG 72 9.021 18.299 -12.042 565 HH12 ARG 72 HH12 ARG 72 8.004 18.185 -13.439 566 HH21 ARG 72 HH21 ARG 72 5.199 19.566 -11.876 567 HH22 ARG 72 HH22 ARG 72 5.835 18.905 -13.345 568 H LYS 73 HN LYS 73 10.118 23.660 -8.688 569 HA LYS 73 HA LYS 73 10.321 24.451 -5.875 570 HB2 LYS 73 HB2 LYS 73 10.142 26.802 -6.926 571 HB3 LYS 73 HB1 LYS 73 11.623 25.894 -7.177 572 HG2 LYS 73 HG2 LYS 73 10.767 27.075 -9.195 573 HG3 LYS 73 HG1 LYS 73 11.003 25.339 -9.405 574 HD2 LYS 73 HD2 LYS 73 8.639 24.940 -9.148 575 HD3 LYS 73 HD1 LYS 73 8.358 26.640 -8.766 576 HE2 LYS 73 HE2 LYS 73 8.606 27.312 -10.940 577 HE3 LYS 73 HE1 LYS 73 9.694 25.984 -11.339 578 HZ1 LYS 73 HZ1 LYS 73 6.898 25.370 -10.699 579 HZ2 LYS 73 HZ2 LYS 73 7.966 24.565 -11.735 580 HZ3 LYS 73 HZ3 LYS 73 7.254 26.021 -12.220 581 H ASP 74 HN ASP 74 8.702 26.696 -5.858 582 HA ASP 74 HA ASP 74 6.049 25.799 -6.612 583 HB2 ASP 74 HB2 ASP 74 6.901 25.335 -4.078 584 HB3 ASP 74 HB1 ASP 74 6.203 26.942 -3.896 585 H ASN 75 HN ASN 75 4.615 27.782 -5.246 586 HA ASN 75 HA ASN 75 4.782 29.929 -7.005 587 HB2 ASN 75 HB2 ASN 75 3.361 29.404 -4.456 588 HB3 ASN 75 HB1 ASN 75 3.466 31.079 -4.988 589 HD21 ASN 75 HD21 ASN 75 1.303 31.280 -5.421 590 HD22 ASN 75 HD22 ASN 75 0.526 30.473 -6.736 591 H GLU 76 HN GLU 76 5.182 30.435 -3.555 592 HA GLU 76 HA GLU 76 6.879 32.685 -3.984 593 HB2 GLU 76 HB2 GLU 76 5.673 31.334 -1.627 594 HB3 GLU 76 HB1 GLU 76 7.085 32.344 -1.346 595 HG2 GLU 76 HG2 GLU 76 5.710 34.067 -2.791 596 HG3 GLU 76 HG1 GLU 76 4.351 33.099 -2.220 597 H GLY 77 HN GLY 77 8.307 30.954 -5.245 598 HA2 GLY 77 HA2 GLY 77 10.334 29.887 -5.391 599 HA3 GLY 77 HA1 GLY 77 10.800 30.904 -4.036 600 H ASN 78 HN ASN 78 8.155 28.734 -3.568 601 HA ASN 78 HA ASN 78 9.713 27.259 -1.618 602 HB2 ASN 78 HB2 ASN 78 7.120 28.099 -1.654 603 HB3 ASN 78 HB1 ASN 78 6.936 26.416 -2.135 604 HD21 ASN 78 HD21 ASN 78 6.223 25.399 -0.395 605 HD22 ASN 78 HD22 ASN 78 6.944 25.462 1.174 606 H GLU 79 HN GLU 79 8.233 24.795 -1.794 607 HA GLU 79 HA GLU 79 8.846 23.717 -4.428 608 HB2 GLU 79 HB2 GLU 79 9.975 22.223 -2.091 609 HB3 GLU 79 HB1 GLU 79 10.453 22.176 -3.781 610 HG2 GLU 79 HG2 GLU 79 10.913 24.597 -2.071 611 HG3 GLU 79 HG1 GLU 79 12.053 23.255 -2.128 612 H VAL 80 HN VAL 80 8.658 21.007 -3.757 613 HA VAL 80 HA VAL 80 6.567 20.282 -2.058 614 HB VAL 80 HB VAL 80 5.136 21.668 -3.479 615 HG11 VAL 80 HG11 VAL 80 4.819 20.466 -5.871 616 HG12 VAL 80 HG12 VAL 80 6.545 20.205 -5.616 617 HG13 VAL 80 HG13 VAL 80 5.887 21.843 -5.602 618 HG21 VAL 80 HG21 VAL 80 4.583 18.761 -4.044 619 HG22 VAL 80 HG22 VAL 80 3.411 20.072 -3.896 620 HG23 VAL 80 HG23 VAL 80 4.306 19.523 -2.478 621 H VAL 81 HN VAL 81 5.824 18.056 -2.441 622 HA VAL 81 HA VAL 81 7.896 16.502 -3.714 623 HB VAL 81 HB VAL 81 5.496 15.391 -2.287 624 HG11 VAL 81 HG11 VAL 81 8.064 14.353 -3.319 625 HG12 VAL 81 HG12 VAL 81 6.491 13.565 -3.184 626 HG13 VAL 81 HG13 VAL 81 7.524 13.718 -1.763 627 HG21 VAL 81 HG21 VAL 81 7.213 15.252 -0.337 628 HG22 VAL 81 HG22 VAL 81 6.331 16.754 -0.613 629 HG23 VAL 81 HG23 VAL 81 7.996 16.594 -1.171 630 HA PRO 82 HA PRO 82 5.539 16.007 -7.482 631 HB2 PRO 82 HB2 PRO 82 7.203 13.576 -7.813 632 HB3 PRO 82 HB1 PRO 82 7.006 14.958 -8.895 633 HG2 PRO 82 HG2 PRO 82 9.252 14.632 -7.505 634 HG3 PRO 82 HG1 PRO 82 8.555 16.247 -7.741 635 HD2 PRO 82 HD2 PRO 82 8.431 14.462 -5.338 636 HD3 PRO 82 HD1 PRO 82 8.700 16.215 -5.423 637 H LYS 83 HN LYS 83 3.505 15.314 -7.171 638 HA LYS 83 HA LYS 83 2.502 13.350 -5.606 639 HB2 LYS 83 HB2 LYS 83 0.587 13.198 -7.187 640 HB3 LYS 83 HB1 LYS 83 1.042 14.849 -6.789 641 HG2 LYS 83 HG2 LYS 83 2.444 13.924 -9.134 642 HG3 LYS 83 HG1 LYS 83 0.697 13.762 -9.324 643 HD2 LYS 83 HD2 LYS 83 1.779 16.300 -8.202 644 HD3 LYS 83 HD1 LYS 83 1.942 16.007 -9.934 645 HE2 LYS 83 HE2 LYS 83 -0.651 15.325 -9.538 646 HE3 LYS 83 HE1 LYS 83 -0.451 16.589 -8.325 647 HZ1 LYS 83 HZ1 LYS 83 0.137 18.146 -9.959 648 HZ2 LYS 83 HZ2 LYS 83 -1.193 17.323 -10.604 649 HZ3 LYS 83 HZ3 LYS 83 0.368 16.961 -11.145 650 HA PRO 84 HA PRO 84 4.578 9.813 -7.609 651 HB2 PRO 84 HB2 PRO 84 3.784 8.459 -5.120 652 HB3 PRO 84 HB1 PRO 84 5.390 8.656 -5.826 653 HG2 PRO 84 HG2 PRO 84 4.655 9.982 -3.611 654 HG3 PRO 84 HG1 PRO 84 5.725 10.710 -4.825 655 HD2 PRO 84 HD2 PRO 84 2.789 11.135 -4.389 656 HD3 PRO 84 HD1 PRO 84 4.057 12.328 -4.741 657 H GLN 85 HN GLN 85 3.677 7.274 -7.047 658 HA GLN 85 HA GLN 85 0.910 7.362 -8.053 659 HB2 GLN 85 HB2 GLN 85 3.147 6.228 -9.229 660 HB3 GLN 85 HB1 GLN 85 2.342 4.853 -8.484 661 HG2 GLN 85 HG2 GLN 85 0.570 6.655 -9.967 662 HG3 GLN 85 HG1 GLN 85 1.783 5.831 -10.946 663 HE21 GLN 85 HE21 GLN 85 -0.536 5.143 -8.349 664 HE22 GLN 85 HE22 GLN 85 -1.051 3.619 -8.980 665 H ARG 86 HN ARG 86 0.054 7.374 -5.920 666 HA ARG 86 HA ARG 86 0.639 5.181 -4.138 667 HB2 ARG 86 HB2 ARG 86 -1.569 7.228 -3.907 668 HB3 ARG 86 HB1 ARG 86 -0.915 6.222 -2.622 669 HG2 ARG 86 HG2 ARG 86 0.266 8.062 -2.131 670 HG3 ARG 86 HG1 ARG 86 1.323 7.494 -3.425 671 HD2 ARG 86 HD2 ARG 86 0.638 9.102 -4.877 672 HD3 ARG 86 HD1 ARG 86 -0.994 9.158 -4.215 673 HE ARG 86 HE ARG 86 0.878 10.189 -2.355 674 HH11 ARG 86 HH11 ARG 86 -0.779 10.995 -5.319 675 HH12 ARG 86 HH12 ARG 86 -0.716 12.702 -5.036 676 HH21 ARG 86 HH21 ARG 86 0.961 12.434 -1.981 677 HH22 ARG 86 HH22 ARG 86 0.272 13.519 -3.142 678 H HIS 87 HN HIS 87 -0.266 3.246 -4.270 679 HA HIS 87 HA HIS 87 -2.735 2.932 -5.813 680 HB2 HIS 87 HB2 HIS 87 -1.059 0.665 -4.764 681 HB3 HIS 87 HB1 HIS 87 -2.144 0.682 -6.150 682 HD1 HIS 87 HD1 HIS 87 -1.213 1.593 -8.372 683 HD2 HIS 87 HD2 HIS 87 1.517 1.673 -5.241 684 HE1 HIS 87 HE1 HIS 87 1.018 2.052 -9.437 685 HE2 HIS 87 HE2 HIS 87 2.667 2.009 -7.534 686 H MET 88 HN MET 88 -4.597 2.805 -4.764 687 HA MET 88 HA MET 88 -4.585 1.976 -1.945 688 HB2 MET 88 HB2 MET 88 -5.727 4.162 -3.065 689 HB3 MET 88 HB1 MET 88 -7.075 3.035 -3.133 690 HG2 MET 88 HG2 MET 88 -5.521 3.636 -0.633 691 HG3 MET 88 HG1 MET 88 -6.994 4.480 -1.100 692 HE1 MET 88 HE1 MET 88 -8.941 2.637 1.418 693 HE2 MET 88 HE2 MET 88 -8.176 4.127 0.888 694 HE3 MET 88 HE3 MET 88 -7.275 2.979 1.886 695 H PHE 89 HN PHE 89 -4.887 -0.134 -1.737 696 HA PHE 89 HA PHE 89 -6.639 -1.561 -3.584 697 HB2 PHE 89 HB2 PHE 89 -4.271 -2.209 -2.150 698 HB3 PHE 89 HB1 PHE 89 -5.548 -3.261 -1.559 699 HD1 PHE 89 HD1 PHE 89 -7.151 -3.943 -3.757 700 HD2 PHE 89 HD2 PHE 89 -2.951 -3.264 -3.686 701 HE1 PHE 89 HE1 PHE 89 -6.891 -5.360 -5.750 702 HE2 PHE 89 HE2 PHE 89 -2.686 -4.679 -5.680 703 HZ PHE 89 HZ PHE 89 -4.661 -5.723 -6.712 704 H SER 90 HN SER 90 -8.595 -2.437 -3.001 705 HA SER 90 HA SER 90 -9.383 -2.184 -0.178 706 HB2 SER 90 HB2 SER 90 -10.197 -0.302 -1.781 707 HB3 SER 90 HB1 SER 90 -11.324 -1.526 -2.365 708 HG SER 90 HG SER 90 -12.474 -1.181 -0.653 709 H PHE 91 HN PHE 91 -10.509 -3.825 0.637 710 HA PHE 91 HA PHE 91 -11.894 -5.672 -1.136 711 HB2 PHE 91 HB2 PHE 91 -10.710 -7.392 0.720 712 HB3 PHE 91 HB1 PHE 91 -10.335 -7.264 -0.995 713 HD1 PHE 91 HD1 PHE 91 -8.627 -5.285 -1.548 714 HD2 PHE 91 HD2 PHE 91 -8.987 -7.261 2.201 715 HE1 PHE 91 HE1 PHE 91 -6.321 -4.655 -0.995 716 HE2 PHE 91 HE2 PHE 91 -6.679 -6.637 2.749 717 HZ PHE 91 HZ PHE 91 -5.341 -5.329 1.153 718 H ASN 92 HN ASN 92 -13.123 -7.340 0.240 719 HA ASN 92 HA ASN 92 -14.395 -5.857 2.422 720 HB2 ASN 92 HB2 ASN 92 -16.240 -7.536 2.133 721 HB3 ASN 92 HB1 ASN 92 -15.940 -6.540 0.713 722 HD21 ASN 92 HD21 ASN 92 -15.285 -7.478 -1.152 723 HD22 ASN 92 HD22 ASN 92 -15.110 -9.183 -1.365 724 H ASN 93 HN ASN 93 -11.861 -7.235 2.771 725 HA ASN 93 HA ASN 93 -12.706 -9.196 4.794 726 HB2 ASN 93 HB2 ASN 93 -10.168 -9.328 3.162 727 HB3 ASN 93 HB1 ASN 93 -10.707 -10.504 4.357 728 HD21 ASN 93 HD21 ASN 93 -10.985 -9.384 1.130 729 HD22 ASN 93 HD22 ASN 93 -12.072 -10.602 0.565 730 H ARG 94 HN ARG 94 -12.363 -8.450 6.741 731 HA ARG 94 HA ARG 94 -10.495 -6.338 7.288 732 HB2 ARG 94 HB2 ARG 94 -11.191 -7.084 9.747 733 HB3 ARG 94 HB1 ARG 94 -12.241 -6.101 8.740 734 HG2 ARG 94 HG2 ARG 94 -13.637 -7.921 8.239 735 HG3 ARG 94 HG1 ARG 94 -12.451 -9.093 8.817 736 HD2 ARG 94 HD2 ARG 94 -13.543 -7.048 10.698 737 HD3 ARG 94 HD1 ARG 94 -14.517 -8.460 10.291 738 HE ARG 94 HE ARG 94 -12.323 -8.391 12.065 739 HH11 ARG 94 HH11 ARG 94 -13.757 -10.393 9.592 740 HH12 ARG 94 HH12 ARG 94 -13.137 -11.869 10.252 741 HH21 ARG 94 HH21 ARG 94 -11.507 -10.332 12.934 742 HH22 ARG 94 HH22 ARG 94 -11.860 -11.835 12.149 743 H THR 95 HN THR 95 -10.721 -9.772 8.085 744 HA THR 95 HA THR 95 -8.363 -9.906 9.617 745 HB THR 95 HB THR 95 -10.391 -11.624 9.119 746 HG1 THR 95 HG1 THR 95 -9.437 -12.578 10.705 747 HG21 THR 95 HG21 THR 95 -9.570 -12.302 6.921 748 HG22 THR 95 HG22 THR 95 -9.549 -13.636 8.074 749 HG23 THR 95 HG23 THR 95 -8.048 -12.811 7.652 750 H VAL 96 HN VAL 96 -8.982 -10.547 6.187 751 HA VAL 96 HA VAL 96 -6.437 -11.416 5.457 752 HB VAL 96 HB VAL 96 -8.332 -9.781 3.762 753 HG11 VAL 96 HG11 VAL 96 -5.734 -10.573 3.207 754 HG12 VAL 96 HG12 VAL 96 -6.954 -10.076 2.035 755 HG13 VAL 96 HG13 VAL 96 -6.734 -11.785 2.408 756 HG21 VAL 96 HG21 VAL 96 -9.477 -11.695 3.203 757 HG22 VAL 96 HG22 VAL 96 -9.113 -12.004 4.901 758 HG23 VAL 96 HG23 VAL 96 -8.136 -12.755 3.639 759 H MET 97 HN MET 97 -7.753 -8.123 4.970 760 HA MET 97 HA MET 97 -5.464 -6.855 4.148 761 HB2 MET 97 HB2 MET 97 -6.417 -4.797 5.343 762 HB3 MET 97 HB1 MET 97 -7.420 -5.562 4.121 763 HG2 MET 97 HG2 MET 97 -9.027 -5.516 5.644 764 HG3 MET 97 HG1 MET 97 -8.181 -6.860 6.401 765 HE1 MET 97 HE1 MET 97 -6.566 -2.937 6.904 766 HE2 MET 97 HE2 MET 97 -8.202 -2.483 7.379 767 HE3 MET 97 HE3 MET 97 -7.918 -3.241 5.811 768 H ASP 98 HN ASP 98 -6.519 -7.108 7.539 769 HA ASP 98 HA ASP 98 -4.217 -5.902 8.624 770 HB2 ASP 98 HB2 ASP 98 -6.460 -6.229 9.760 771 HB3 ASP 98 HB1 ASP 98 -5.979 -7.899 10.041 772 H ASN 99 HN ASN 99 -4.780 -9.097 7.456 773 HA ASN 99 HA ASN 99 -2.627 -10.287 8.970 774 HB2 ASN 99 HB2 ASN 99 -4.675 -11.552 8.309 775 HB3 ASN 99 HB1 ASN 99 -4.152 -11.443 6.631 776 HD21 ASN 99 HD21 ASN 99 -4.609 -13.853 7.918 777 HD22 ASN 99 HD22 ASN 99 -3.109 -14.695 8.079 778 H ILE 100 HN ILE 100 -3.198 -9.838 5.466 779 HA ILE 100 HA ILE 100 -0.613 -10.556 4.686 780 HB ILE 100 HB ILE 100 -2.520 -10.442 3.131 781 HG12 ILE 100 HG12 ILE 100 -0.076 -8.819 2.413 782 HG13 ILE 100 HG11 ILE 100 -0.303 -10.551 2.196 783 HG21 ILE 100 HG21 ILE 100 -3.272 -8.352 2.211 784 HG22 ILE 100 HG22 ILE 100 -2.105 -7.463 3.190 785 HG23 ILE 100 HG23 ILE 100 -3.446 -8.304 3.967 786 HD11 ILE 100 HD11 ILE 100 -0.499 -9.216 0.114 787 HD12 ILE 100 HD12 ILE 100 -1.934 -8.446 0.796 788 HD13 ILE 100 HD13 ILE 100 -1.927 -10.184 0.483 789 H LYS 101 HN LYS 101 -1.957 -7.306 5.315 790 HA LYS 101 HA LYS 101 0.348 -5.865 4.611 791 HB2 LYS 101 HB2 LYS 101 -1.919 -4.887 4.993 792 HB3 LYS 101 HB1 LYS 101 -1.685 -5.113 6.719 793 HG2 LYS 101 HG2 LYS 101 0.393 -3.604 5.242 794 HG3 LYS 101 HG1 LYS 101 -1.164 -2.818 5.499 795 HD2 LYS 101 HD2 LYS 101 0.385 -4.111 7.730 796 HD3 LYS 101 HD1 LYS 101 0.621 -2.426 7.267 797 HE2 LYS 101 HE2 LYS 101 -1.553 -1.827 7.900 798 HE3 LYS 101 HE1 LYS 101 -2.102 -3.506 7.903 799 HZ1 LYS 101 HZ1 LYS 101 -1.198 -3.897 9.941 800 HZ2 LYS 101 HZ2 LYS 101 -1.556 -2.254 10.121 801 HZ3 LYS 101 HZ3 LYS 101 0.025 -2.740 9.766 802 H MET 102 HN MET 102 -0.668 -7.330 7.645 803 HA MET 102 HA MET 102 1.199 -6.289 9.391 804 HB2 MET 102 HB2 MET 102 -0.614 -7.761 10.109 805 HB3 MET 102 HB1 MET 102 0.145 -9.122 9.296 806 HG2 MET 102 HG2 MET 102 2.154 -8.306 10.916 807 HG3 MET 102 HG1 MET 102 0.745 -7.887 11.887 808 HE1 MET 102 HE1 MET 102 3.298 -10.582 11.549 809 HE2 MET 102 HE2 MET 102 2.604 -10.610 9.927 810 HE3 MET 102 HE3 MET 102 2.421 -12.006 10.989 811 H THR 103 HN THR 103 1.635 -8.656 6.876 812 HA THR 103 HA THR 103 4.317 -9.346 7.765 813 HB THR 103 HB THR 103 2.734 -10.208 5.338 814 HG1 THR 103 HG1 THR 103 2.092 -11.846 6.521 815 HG21 THR 103 HG21 THR 103 4.416 -11.480 4.619 816 HG22 THR 103 HG22 THR 103 4.899 -11.934 6.253 817 HG23 THR 103 HG23 THR 103 5.441 -10.403 5.568 818 H LEU 104 HN LEU 104 2.871 -8.001 4.791 819 HA LEU 104 HA LEU 104 5.305 -7.274 3.603 820 HB2 LEU 104 HB2 LEU 104 4.050 -6.412 1.912 821 HB3 LEU 104 HB1 LEU 104 2.836 -7.413 2.681 822 HG LEU 104 HG LEU 104 2.371 -5.126 3.998 823 HD11 LEU 104 HD11 LEU 104 3.372 -4.258 1.291 824 HD12 LEU 104 HD12 LEU 104 4.134 -3.898 2.840 825 HD13 LEU 104 HD13 LEU 104 2.542 -3.238 2.465 826 HD21 LEU 104 HD21 LEU 104 0.828 -6.556 2.603 827 HD22 LEU 104 HD22 LEU 104 1.307 -5.572 1.219 828 HD23 LEU 104 HD23 LEU 104 0.490 -4.825 2.593 829 H GLN 105 HN GLN 105 3.347 -5.684 5.994 830 HA GLN 105 HA GLN 105 4.288 -3.058 5.727 831 HB2 GLN 105 HB2 GLN 105 2.341 -3.683 7.102 832 HB3 GLN 105 HB1 GLN 105 3.409 -4.489 8.241 833 HG2 GLN 105 HG2 GLN 105 4.478 -1.966 8.079 834 HG3 GLN 105 HG1 GLN 105 2.744 -1.673 7.970 835 HE21 GLN 105 HE21 GLN 105 2.224 -0.933 9.922 836 HE22 GLN 105 HE22 GLN 105 2.544 -1.742 11.414 837 H GLN 106 HN GLN 106 5.323 -5.525 8.088 838 HA GLN 106 HA GLN 106 7.401 -4.212 9.272 839 HB2 GLN 106 HB2 GLN 106 7.319 -7.136 8.513 840 HB3 GLN 106 HB1 GLN 106 8.407 -6.429 9.699 841 HG2 GLN 106 HG2 GLN 106 5.993 -5.591 10.619 842 HG3 GLN 106 HG1 GLN 106 5.584 -7.160 9.927 843 HE21 GLN 106 HE21 GLN 106 5.464 -8.570 11.519 844 HE22 GLN 106 HE22 GLN 106 6.612 -8.761 12.797 845 H ILE 107 HN ILE 107 7.462 -5.912 6.169 846 HA ILE 107 HA ILE 107 10.197 -5.812 5.705 847 HB ILE 107 HB ILE 107 7.796 -6.352 4.158 848 HG12 ILE 107 HG12 ILE 107 10.543 -7.357 3.560 849 HG13 ILE 107 HG11 ILE 107 9.763 -7.802 5.075 850 HG21 ILE 107 HG21 ILE 107 8.927 -6.042 1.939 851 HG22 ILE 107 HG22 ILE 107 10.110 -5.027 2.764 852 HG23 ILE 107 HG23 ILE 107 8.411 -4.557 2.737 853 HD11 ILE 107 HD11 ILE 107 9.502 -9.424 3.159 854 HD12 ILE 107 HD12 ILE 107 8.450 -8.223 2.409 855 HD13 ILE 107 HD13 ILE 107 8.016 -8.925 3.969 856 H ILE 108 HN ILE 108 7.682 -3.406 5.004 857 HA ILE 108 HA ILE 108 9.431 -1.666 3.599 858 HB ILE 108 HB ILE 108 7.007 -0.713 5.091 859 HG12 ILE 108 HG12 ILE 108 6.270 -2.686 3.898 860 HG13 ILE 108 HG11 ILE 108 5.696 -1.260 3.041 861 HG21 ILE 108 HG21 ILE 108 8.878 0.489 3.394 862 HG22 ILE 108 HG22 ILE 108 7.361 1.175 3.980 863 HG23 ILE 108 HG23 ILE 108 7.404 0.318 2.439 864 HD11 ILE 108 HD11 ILE 108 7.216 -1.549 1.302 865 HD12 ILE 108 HD12 ILE 108 6.651 -3.179 1.666 866 HD13 ILE 108 HD13 ILE 108 8.228 -2.642 2.245 867 H SER 109 HN SER 109 8.601 -2.124 6.928 868 HA SER 109 HA SER 109 9.792 0.275 7.902 869 HB2 SER 109 HB2 SER 109 8.059 -1.414 9.002 870 HB3 SER 109 HB1 SER 109 9.534 -2.142 9.640 871 HG SER 109 HG SER 109 9.161 -0.649 11.123 872 H ARG 110 HN ARG 110 10.959 -2.845 6.990 873 HA ARG 110 HA ARG 110 13.529 -2.375 8.303 874 HB2 ARG 110 HB2 ARG 110 13.945 -4.640 8.168 875 HB3 ARG 110 HB1 ARG 110 12.195 -4.628 8.317 876 HG2 ARG 110 HG2 ARG 110 11.969 -4.942 5.919 877 HG3 ARG 110 HG1 ARG 110 13.723 -4.901 5.736 878 HD2 ARG 110 HD2 ARG 110 13.445 -6.822 7.626 879 HD3 ARG 110 HD1 ARG 110 11.964 -7.054 6.698 880 HE ARG 110 HE ARG 110 14.221 -6.844 4.989 881 HH11 ARG 110 HH11 ARG 110 12.584 -9.042 7.149 882 HH12 ARG 110 HH12 ARG 110 13.165 -10.462 6.345 883 HH21 ARG 110 HH21 ARG 110 14.986 -8.710 3.930 884 HH22 ARG 110 HH22 ARG 110 14.529 -10.274 4.519 885 H TYR 111 HN TYR 111 12.129 -2.973 5.086 886 HA TYR 111 HA TYR 111 14.555 -2.826 3.656 887 HB2 TYR 111 HB2 TYR 111 11.665 -2.593 2.960 888 HB3 TYR 111 HB1 TYR 111 12.841 -2.032 1.780 889 HD1 TYR 111 HD2 TYR 111 14.058 -4.732 3.802 890 HD2 TYR 111 HD1 TYR 111 11.731 -3.832 0.354 891 HE1 TYR 111 HE2 TYR 111 14.356 -7.038 3.005 892 HE2 TYR 111 HE1 TYR 111 12.023 -6.137 -0.450 893 HH TYR 111 HH TYR 111 14.298 -8.263 0.847 894 H LYS 112 HN LYS 112 12.267 -0.362 4.696 895 HA LYS 112 HA LYS 112 13.076 1.818 3.229 896 HB2 LYS 112 HB2 LYS 112 11.905 1.411 5.931 897 HB3 LYS 112 HB1 LYS 112 12.527 3.012 5.552 898 HG2 LYS 112 HG2 LYS 112 10.727 1.718 3.583 899 HG3 LYS 112 HG1 LYS 112 10.025 2.339 5.081 900 HD2 LYS 112 HD2 LYS 112 9.926 4.078 3.450 901 HD3 LYS 112 HD1 LYS 112 11.171 4.500 4.626 902 HE2 LYS 112 HE2 LYS 112 12.907 3.782 3.127 903 HE3 LYS 112 HE1 LYS 112 11.715 3.180 1.974 904 HZ1 LYS 112 HZ1 LYS 112 12.173 5.199 1.066 905 HZ2 LYS 112 HZ2 LYS 112 12.520 5.935 2.549 906 HZ3 LYS 112 HZ3 LYS 112 10.913 5.663 2.096 907 H ASP 113 HN ASP 113 14.380 0.647 6.287 908 HA ASP 113 HA ASP 113 16.266 2.585 6.808 909 HB2 ASP 113 HB2 ASP 113 16.031 -0.300 7.485 910 HB3 ASP 113 HB1 ASP 113 17.568 0.497 7.803 911 H ALA 114 HN ALA 114 16.298 0.306 4.259 912 HA ALA 114 HA ALA 114 19.118 0.958 3.724 913 HB1 ALA 114 HB1 ALA 114 18.183 -1.487 4.188 914 HB2 ALA 114 HB2 ALA 114 19.529 -1.170 3.091 915 HB3 ALA 114 HB3 ALA 114 17.902 -1.409 2.449 916 H ASP 115 HN ASP 115 15.883 0.763 2.415 917 HA ASP 115 HA ASP 115 16.467 1.080 -0.306 918 HB2 ASP 115 HB2 ASP 115 14.071 1.791 1.371 919 HB3 ASP 115 HB1 ASP 115 14.120 2.150 -0.352 920 H2 PRO 59 HT1 PRO 59 -22.746 -2.332 4.608 921 H3 PRO 59 HT2 PRO 59 -23.927 -3.185 5.373 922 HA PRO 59 HA PRO 59 -24.757 -3.955 3.629 923 HB2 PRO 59 HB2 PRO 59 -24.431 -2.050 1.561 924 HB3 PRO 59 HB1 PRO 59 -25.917 -2.446 2.433 925 HG2 PRO 59 HG2 PRO 59 -23.971 -0.252 2.909 926 HG3 PRO 59 HG1 PRO 59 -25.724 -0.280 3.169 927 HD2 PRO 59 HD2 PRO 59 -24.045 -0.404 5.235 928 HD3 PRO 59 HD1 PRO 59 -25.527 -1.380 5.218 929 H GLY 60 HN GLY 60 -22.407 -1.739 2.131 930 HA2 GLY 60 HA2 GLY 60 -20.129 -2.387 1.655 931 HA3 GLY 60 HA1 GLY 60 -20.667 -4.059 1.597 932 H GLU 61 HN GLU 61 -20.602 -4.855 -0.385 933 HA GLU 61 HA GLU 61 -20.754 -5.059 -2.645 934 HB2 GLU 61 HB2 GLU 61 -22.754 -2.839 -2.219 935 HB3 GLU 61 HB1 GLU 61 -22.477 -3.592 -3.783 936 HG2 GLU 61 HG2 GLU 61 -24.374 -4.634 -2.845 937 HG3 GLU 61 HG1 GLU 61 -23.046 -5.788 -2.721 938 H GLU 62 HN GLU 62 -18.512 -4.323 -2.687 939 HA GLU 62 HA GLU 62 -16.807 -3.092 -3.555 940 HB2 GLU 62 HB2 GLU 62 -18.187 -3.314 -5.605 941 HB3 GLU 62 HB1 GLU 62 -18.993 -1.805 -5.200 942 HG2 GLU 62 HG2 GLU 62 -17.166 -0.525 -5.723 943 HG3 GLU 62 HG1 GLU 62 -16.027 -1.838 -5.430 944 H GLU 63 HN GLU 63 -18.290 -2.101 -1.208 945 HA GLU 63 HA GLU 63 -18.348 -0.289 0.166 946 HB2 GLU 63 HB2 GLU 63 -16.238 0.919 -1.617 947 HB3 GLU 63 HB1 GLU 63 -16.492 1.199 0.100 948 HG2 GLU 63 HG2 GLU 63 -15.723 -1.486 -0.998 949 HG3 GLU 63 HG1 GLU 63 -14.534 -0.265 -0.546 950 H ASP 64 HN ASP 64 -18.044 2.418 -0.220 951 HA ASP 64 HA ASP 64 -20.204 3.008 -2.134 952 HB2 ASP 64 HB2 ASP 64 -20.746 3.331 0.295 953 HB3 ASP 64 HB1 ASP 64 -19.500 4.574 0.356 954 H ASP 65 HN ASP 65 -17.157 4.131 -0.770 955 HA ASP 65 HA ASP 65 -15.447 5.075 -2.104 956 HB2 ASP 65 HB2 ASP 65 -16.972 5.055 -4.151 957 HB3 ASP 65 HB1 ASP 65 -17.550 6.630 -3.613 958 H GLU 66 HN GLU 66 -17.038 5.742 0.237 959 HA GLU 66 HA GLU 66 -15.805 8.247 0.845 960 HB2 GLU 66 HB2 GLU 66 -17.819 9.480 1.401 961 HB3 GLU 66 HB1 GLU 66 -17.870 9.002 -0.290 962 HG2 GLU 66 HG2 GLU 66 -19.393 7.200 0.228 963 HG3 GLU 66 HG1 GLU 66 -19.285 7.571 1.948 964 H ARG 67 HN ARG 67 -16.179 5.316 1.711 965 HA ARG 67 HA ARG 67 -16.172 5.882 4.527 966 HB2 ARG 67 HB2 ARG 67 -18.228 4.068 3.283 967 HB3 ARG 67 HB1 ARG 67 -17.815 4.019 4.991 968 HG2 ARG 67 HG2 ARG 67 -18.875 6.446 3.562 969 HG3 ARG 67 HG1 ARG 67 -19.856 5.319 4.500 970 HD2 ARG 67 HD2 ARG 67 -17.512 6.301 5.938 971 HD3 ARG 67 HD1 ARG 67 -18.633 7.579 5.471 972 HE ARG 67 HE ARG 67 -19.060 5.527 7.439 973 HH11 ARG 67 HH11 ARG 67 -20.608 7.775 5.263 974 HH12 ARG 67 HH12 ARG 67 -22.081 7.832 6.170 975 HH21 ARG 67 HH21 ARG 67 -20.998 5.600 8.633 976 HH22 ARG 67 HH22 ARG 67 -22.303 6.598 8.084 977 H GLY 68 HN GLY 68 -16.189 3.362 2.085 978 HA2 GLY 68 HA2 GLY 68 -14.466 1.656 3.644 979 HA3 GLY 68 HA1 GLY 68 -15.116 1.299 2.059 980 H ALA 69 HN ALA 69 -13.604 4.368 2.404 981 HA ALA 69 HA ALA 69 -10.973 3.449 1.654 982 HB1 ALA 69 HB1 ALA 69 -11.757 3.313 -0.518 983 HB2 ALA 69 HB2 ALA 69 -11.100 4.948 -0.456 984 HB3 ALA 69 HB3 ALA 69 -12.839 4.692 -0.322 985 H ASP 70 HN ASP 70 -11.773 4.898 3.884 986 HA ASP 70 HA ASP 70 -10.175 7.271 3.548 987 HB2 ASP 70 HB2 ASP 70 -12.370 8.065 2.801 988 HB3 ASP 70 HB1 ASP 70 -13.080 7.551 4.328 989 H ALA 71 HN ALA 71 -9.438 5.259 5.069 990 HA ALA 71 HA ALA 71 -9.362 6.398 7.696 991 HB1 ALA 71 HB1 ALA 71 -10.523 3.632 7.539 992 HB2 ALA 71 HB2 ALA 71 -11.513 5.083 7.686 993 HB3 ALA 71 HB3 ALA 71 -10.365 4.667 8.965 994 H THR 72 HN THR 72 -7.568 5.592 5.508 995 HA THR 72 HA THR 72 -5.896 3.669 6.978 996 HB THR 72 HB THR 72 -4.905 3.699 4.399 997 HG1 THR 72 HG1 THR 72 -7.010 4.776 3.918 998 HG21 THR 72 HG21 THR 72 -6.463 1.823 6.024 999 HG22 THR 72 HG22 THR 72 -4.938 1.600 5.170 1000 HG23 THR 72 HG23 THR 72 -6.464 1.531 4.286 1001 H TRP 73 HN TRP 73 -6.169 6.876 6.160 1002 HA TRP 73 HA TRP 73 -3.291 7.291 5.847 1003 HB2 TRP 73 HB2 TRP 73 -5.105 9.633 5.868 1004 HB3 TRP 73 HB1 TRP 73 -3.752 9.264 4.806 1005 HD1 TRP 73 HD1 TRP 73 -6.949 10.138 4.128 1006 HE1 TRP 73 HE1 TRP 73 -8.111 8.785 2.271 1007 HE3 TRP 73 HE3 TRP 73 -3.910 6.072 4.099 1008 HZ2 TRP 73 HZ2 TRP 73 -7.761 6.287 0.972 1009 HZ3 TRP 73 HZ3 TRP 73 -4.377 4.238 2.537 1010 HH2 TRP 73 HH2 TRP 73 -6.251 4.354 1.015 1011 H ASP 74 HN ASP 74 -4.161 6.409 8.408 1012 HA ASP 74 HA ASP 74 -3.000 8.495 9.990 1013 HB2 ASP 74 HB2 ASP 74 -5.562 8.974 9.716 1014 HB3 ASP 74 HB1 ASP 74 -5.739 7.695 10.914 1015 H LEU 75 HN LEU 75 -2.807 5.522 9.347 1016 HA LEU 75 HA LEU 75 -2.406 4.686 12.125 1017 HB2 LEU 75 HB2 LEU 75 -3.022 2.344 11.421 1018 HB3 LEU 75 HB1 LEU 75 -4.338 3.483 11.598 1019 HG LEU 75 HG LEU 75 -4.623 2.030 9.642 1020 HD11 LEU 75 HD11 LEU 75 -5.017 4.729 9.775 1021 HD12 LEU 75 HD12 LEU 75 -5.628 3.670 8.505 1022 HD13 LEU 75 HD13 LEU 75 -4.114 4.545 8.275 1023 HD21 LEU 75 HD21 LEU 75 -3.167 2.233 7.714 1024 HD22 LEU 75 HD22 LEU 75 -2.240 1.708 9.123 1025 HD23 LEU 75 HD23 LEU 75 -2.154 3.385 8.583 1026 H ASP 76 HN ASP 76 -1.033 5.313 9.233 1027 HA ASP 76 HA ASP 76 1.201 3.535 9.826 1028 HB2 ASP 76 HB2 ASP 76 -0.421 3.312 7.583 1029 HB3 ASP 76 HB1 ASP 76 0.994 4.181 6.997 1030 H LEU 77 HN LEU 77 2.801 4.596 7.644 1031 HA LEU 77 HA LEU 77 4.272 6.278 7.240 1032 HB2 LEU 77 HB2 LEU 77 1.731 7.708 7.866 1033 HB3 LEU 77 HB1 LEU 77 3.209 8.652 7.757 1034 HG LEU 77 HG LEU 77 3.384 7.183 5.478 1035 HD11 LEU 77 HD11 LEU 77 1.425 6.166 5.134 1036 HD12 LEU 77 HD12 LEU 77 0.852 7.769 4.668 1037 HD13 LEU 77 HD13 LEU 77 0.579 7.176 6.307 1038 HD21 LEU 77 HD21 LEU 77 1.884 9.786 5.703 1039 HD22 LEU 77 HD22 LEU 77 2.799 9.191 4.318 1040 HD23 LEU 77 HD23 LEU 77 3.639 9.642 5.802 1041 H LEU 78 HN LEU 78 4.925 5.065 9.467 1042 HA LEU 78 HA LEU 78 6.363 6.947 10.946 1043 HB2 LEU 78 HB2 LEU 78 5.113 6.452 13.171 1044 HB3 LEU 78 HB1 LEU 78 4.536 7.719 12.106 1045 HG LEU 78 HG LEU 78 2.961 5.888 11.156 1046 HD11 LEU 78 HD11 LEU 78 3.866 3.947 12.171 1047 HD12 LEU 78 HD12 LEU 78 2.316 4.255 12.955 1048 HD13 LEU 78 HD13 LEU 78 3.819 4.681 13.774 1049 HD21 LEU 78 HD21 LEU 78 2.143 6.546 13.912 1050 HD22 LEU 78 HD22 LEU 78 1.314 6.828 12.381 1051 HD23 LEU 78 HD23 LEU 78 2.612 7.907 12.893 1052 H LEU 79 HN LEU 79 7.520 4.949 9.956 1053 HA LEU 79 HA LEU 79 7.757 2.925 12.082 1054 HB2 LEU 79 HB2 LEU 79 8.708 1.871 9.602 1055 HB3 LEU 79 HB1 LEU 79 7.423 1.275 10.632 1056 HG LEU 79 HG LEU 79 5.988 3.110 9.428 1057 HD11 LEU 79 HD11 LEU 79 7.422 4.285 8.084 1058 HD12 LEU 79 HD12 LEU 79 6.853 3.060 6.950 1059 HD13 LEU 79 HD13 LEU 79 8.423 2.877 7.732 1060 HD21 LEU 79 HD21 LEU 79 6.589 0.866 7.604 1061 HD22 LEU 79 HD22 LEU 79 5.048 1.415 8.263 1062 HD23 LEU 79 HD23 LEU 79 6.135 0.442 9.255 1063 H THR 80 HN THR 80 9.668 3.528 9.149 1064 HA THR 80 HA THR 80 12.114 3.280 10.578 1065 HB THR 80 HB THR 80 13.050 4.150 8.312 1066 HG1 THR 80 HG1 THR 80 11.597 4.740 6.946 1067 HG21 THR 80 HG21 THR 80 11.450 1.667 7.947 1068 HG22 THR 80 HG22 THR 80 12.758 1.699 9.130 1069 HG23 THR 80 HG23 THR 80 13.097 2.035 7.432 1070 H ASN 81 HN ASN 81 12.788 4.802 11.942 1071 HA ASN 81 HA ASN 81 13.024 7.540 10.983 1072 HB2 ASN 81 HB2 ASN 81 11.351 6.706 13.330 1073 HB3 ASN 81 HB1 ASN 81 12.149 8.276 13.332 1074 HD21 ASN 81 HD21 ASN 81 9.301 6.959 12.849 1075 HD22 ASN 81 HD22 ASN 81 8.662 7.973 11.605 1076 H PHE 82 HN PHE 82 13.257 6.033 14.198 1077 HA PHE 82 HA PHE 82 16.163 6.428 14.125 1078 HB2 PHE 82 HB2 PHE 82 14.217 7.611 16.056 1079 HB3 PHE 82 HB1 PHE 82 15.787 7.099 16.664 1080 HD1 PHE 82 HD2 PHE 82 14.061 9.383 14.357 1081 HD2 PHE 82 HD1 PHE 82 17.767 8.316 16.157 1082 HE1 PHE 82 HE2 PHE 82 15.045 11.499 13.575 1083 HE2 PHE 82 HE1 PHE 82 18.757 10.430 15.379 1084 HZ PHE 82 HZ PHE 82 17.396 12.024 14.086 1085 H SER 83 HN SER 83 14.586 4.045 13.825 1086 HA SER 83 HA SER 83 14.940 2.628 16.355 1087 HB2 SER 83 HB2 SER 83 13.926 1.270 13.895 1088 HB3 SER 83 HB1 SER 83 13.450 1.046 15.578 1089 HG SER 83 HG SER 83 12.704 3.096 13.786 1090 H GLY 84 HN GLY 84 17.283 2.760 16.249 1091 HA2 GLY 84 HA2 GLY 84 18.800 0.720 15.961 1092 HA3 GLY 84 HA1 GLY 84 18.478 0.952 14.249 1093 HA PRO 85 HA PRO 85 22.031 3.565 14.090 1094 HB2 PRO 85 HB2 PRO 85 21.422 5.131 11.960 1095 HB3 PRO 85 HB1 PRO 85 21.888 3.434 11.799 1096 HG2 PRO 85 HG2 PRO 85 19.156 4.659 11.772 1097 HG3 PRO 85 HG1 PRO 85 19.825 3.395 10.724 1098 HD2 PRO 85 HD2 PRO 85 18.201 2.842 12.819 1099 HD3 PRO 85 HD1 PRO 85 19.490 1.740 12.294 Start of MODEL 13 1 H2 PRO 1 HT1 PRO 1 3.897 -15.964 6.443 2 H3 PRO 1 HT2 PRO 1 4.723 -15.826 7.858 3 HA PRO 1 HA PRO 1 2.946 -14.871 8.422 4 HB2 PRO 1 HB2 PRO 1 3.499 -12.267 7.691 5 HB3 PRO 1 HB1 PRO 1 4.258 -13.124 9.039 6 HG2 PRO 1 HG2 PRO 1 5.491 -12.273 6.613 7 HG3 PRO 1 HG1 PRO 1 6.218 -13.221 7.920 8 HD2 PRO 1 HD2 PRO 1 5.014 -14.146 5.348 9 HD3 PRO 1 HD1 PRO 1 6.354 -14.843 6.283 10 H SER 2 HN SER 2 2.420 -15.944 5.810 11 HA SER 2 HA SER 2 0.826 -15.875 4.189 12 HB2 SER 2 HB2 SER 2 -0.402 -14.852 6.369 13 HB3 SER 2 HB1 SER 2 -0.532 -13.476 5.275 14 HG SER 2 HG SER 2 -2.227 -14.573 4.626 15 H HIS 3 HN HIS 3 1.407 -15.250 2.228 16 HA HIS 3 HA HIS 3 2.018 -12.406 1.774 17 HB2 HIS 3 HB2 HIS 3 3.157 -14.774 0.282 18 HB3 HIS 3 HB1 HIS 3 3.580 -13.085 0.033 19 HD1 HIS 3 HD1 HIS 3 4.513 -16.036 1.948 20 HD2 HIS 3 HD2 HIS 3 4.976 -11.925 2.326 21 HE1 HIS 3 HE1 HIS 3 6.345 -15.719 3.641 22 HE2 HIS 3 HE2 HIS 3 6.674 -13.225 3.780 23 H SER 4 HN SER 4 0.596 -15.312 0.433 24 HA SER 4 HA SER 4 -0.499 -13.850 -1.816 25 HB2 SER 4 HB2 SER 4 -1.412 -15.971 -2.560 26 HB3 SER 4 HB1 SER 4 0.282 -16.185 -2.111 27 HG SER 4 HG SER 4 -1.989 -16.853 -0.543 28 H GLY 5 HN GLY 5 -2.468 -13.082 -2.000 29 HA2 GLY 5 HA2 GLY 5 -4.674 -13.984 -0.387 30 HA3 GLY 5 HA1 GLY 5 -4.089 -12.383 0.059 31 H ALA 6 HN ALA 6 -6.550 -12.213 -0.717 32 HA ALA 6 HA ALA 6 -6.501 -11.668 -3.604 33 HB1 ALA 6 HB1 ALA 6 -8.808 -12.203 -1.749 34 HB2 ALA 6 HB2 ALA 6 -8.238 -13.198 -3.090 35 HB3 ALA 6 HB3 ALA 6 -9.000 -11.639 -3.409 36 H ALA 7 HN ALA 7 -6.993 -9.713 -4.416 37 HA ALA 7 HA ALA 7 -7.868 -7.571 -2.662 38 HB1 ALA 7 HB1 ALA 7 -5.438 -7.033 -4.309 39 HB2 ALA 7 HB2 ALA 7 -5.272 -7.785 -2.722 40 HB3 ALA 7 HB3 ALA 7 -6.025 -6.197 -2.871 41 H ILE 8 HN ILE 8 -8.477 -5.611 -3.863 42 HA ILE 8 HA ILE 8 -8.933 -6.148 -6.716 43 HB ILE 8 HB ILE 8 -11.004 -5.039 -4.824 44 HG12 ILE 8 HG12 ILE 8 -11.471 -7.471 -6.444 45 HG13 ILE 8 HG11 ILE 8 -10.353 -7.635 -5.093 46 HG21 ILE 8 HG21 ILE 8 -10.774 -5.188 -7.777 47 HG22 ILE 8 HG22 ILE 8 -11.556 -3.970 -6.768 48 HG23 ILE 8 HG23 ILE 8 -12.357 -5.512 -7.071 49 HD11 ILE 8 HD11 ILE 8 -12.297 -8.161 -4.049 50 HD12 ILE 8 HD12 ILE 8 -13.269 -7.123 -5.093 51 HD13 ILE 8 HD13 ILE 8 -12.300 -6.415 -3.799 52 H PHE 9 HN PHE 9 -8.972 -4.434 -8.073 53 HA PHE 9 HA PHE 9 -8.670 -1.744 -7.005 54 HB2 PHE 9 HB2 PHE 9 -6.362 -2.791 -7.301 55 HB3 PHE 9 HB1 PHE 9 -6.687 -2.767 -9.034 56 HD1 PHE 9 HD2 PHE 9 -7.507 -0.459 -9.957 57 HD2 PHE 9 HD1 PHE 9 -5.297 -0.980 -6.364 58 HE1 PHE 9 HE2 PHE 9 -6.765 1.888 -10.080 59 HE2 PHE 9 HE1 PHE 9 -4.559 1.365 -6.468 60 HZ PHE 9 HZ PHE 9 -5.289 2.802 -8.331 61 H GLU 10 HN GLU 10 -9.331 -0.145 -8.421 62 HA GLU 10 HA GLU 10 -10.819 0.693 -9.942 63 HB2 GLU 10 HB2 GLU 10 -10.064 0.421 -12.263 64 HB3 GLU 10 HB1 GLU 10 -8.720 0.759 -11.177 65 HG2 GLU 10 HG2 GLU 10 -8.169 -1.604 -11.123 66 HG3 GLU 10 HG1 GLU 10 -9.507 -1.942 -12.219 67 H LYS 11 HN LYS 11 -11.949 -1.459 -8.719 68 HA LYS 11 HA LYS 11 -13.668 -2.923 -8.879 69 HB2 LYS 11 HB2 LYS 11 -14.387 -2.483 -11.671 70 HB3 LYS 11 HB1 LYS 11 -15.336 -2.230 -10.214 71 HG2 LYS 11 HG2 LYS 11 -13.891 -0.091 -9.950 72 HG3 LYS 11 HG1 LYS 11 -13.553 -0.325 -11.666 73 HD2 LYS 11 HD2 LYS 11 -15.811 -0.075 -12.257 74 HD3 LYS 11 HD1 LYS 11 -16.362 -0.321 -10.599 75 HE2 LYS 11 HE2 LYS 11 -15.503 1.807 -9.927 76 HE3 LYS 11 HE1 LYS 11 -14.698 2.030 -11.479 77 HZ1 LYS 11 HZ1 LYS 11 -16.657 2.511 -12.531 78 HZ2 LYS 11 HZ2 LYS 11 -16.974 3.162 -11.002 79 HZ3 LYS 11 HZ3 LYS 11 -17.609 1.653 -11.426 80 H VAL 12 HN VAL 12 -10.884 -3.584 -9.984 81 HA VAL 12 HA VAL 12 -11.728 -5.968 -11.510 82 HB VAL 12 HB VAL 12 -9.009 -4.653 -11.640 83 HG11 VAL 12 HG11 VAL 12 -10.001 -6.508 -13.724 84 HG12 VAL 12 HG12 VAL 12 -9.561 -7.211 -12.168 85 HG13 VAL 12 HG13 VAL 12 -8.373 -6.285 -13.084 86 HG21 VAL 12 HG21 VAL 12 -10.859 -4.622 -13.960 87 HG22 VAL 12 HG22 VAL 12 -9.614 -3.465 -13.488 88 HG23 VAL 12 HG23 VAL 12 -11.168 -3.479 -12.653 89 H SER 13 HN SER 13 -11.608 -7.740 -10.297 90 HA SER 13 HA SER 13 -9.981 -7.733 -7.917 91 HB2 SER 13 HB2 SER 13 -11.294 -10.262 -8.619 92 HB3 SER 13 HB1 SER 13 -11.380 -9.317 -7.134 93 HG SER 13 HG SER 13 -13.067 -8.243 -7.890 94 H GLY 14 HN GLY 14 -8.528 -9.373 -7.338 95 HA2 GLY 14 HA2 GLY 14 -7.419 -11.200 -9.222 96 HA3 GLY 14 HA1 GLY 14 -6.431 -9.751 -9.077 97 H ILE 15 HN ILE 15 -5.019 -11.755 -8.361 98 HA ILE 15 HA ILE 15 -5.364 -12.119 -5.460 99 HB ILE 15 HB ILE 15 -3.424 -13.732 -7.081 100 HG12 ILE 15 HG12 ILE 15 -6.342 -14.443 -6.708 101 HG13 ILE 15 HG11 ILE 15 -5.654 -13.842 -8.213 102 HG21 ILE 15 HG21 ILE 15 -4.853 -14.009 -4.467 103 HG22 ILE 15 HG22 ILE 15 -3.128 -14.144 -4.818 104 HG23 ILE 15 HG23 ILE 15 -4.230 -15.435 -5.296 105 HD11 ILE 15 HD11 ILE 15 -5.692 -16.118 -8.546 106 HD12 ILE 15 HD12 ILE 15 -5.260 -16.477 -6.874 107 HD13 ILE 15 HD13 ILE 15 -4.041 -15.852 -7.985 108 H ILE 16 HN ILE 16 -3.909 -11.356 -4.100 109 HA ILE 16 HA ILE 16 -1.645 -9.860 -5.205 110 HB ILE 16 HB ILE 16 -3.240 -8.547 -3.936 111 HG12 ILE 16 HG12 ILE 16 -0.942 -8.774 -2.040 112 HG13 ILE 16 HG11 ILE 16 -0.629 -8.299 -3.708 113 HG21 ILE 16 HG21 ILE 16 -2.699 -10.485 -1.700 114 HG22 ILE 16 HG22 ILE 16 -4.228 -10.213 -2.540 115 HG23 ILE 16 HG23 ILE 16 -3.549 -8.953 -1.507 116 HD11 ILE 16 HD11 ILE 16 -2.672 -6.653 -3.118 117 HD12 ILE 16 HD12 ILE 16 -0.971 -6.237 -2.896 118 HD13 ILE 16 HD13 ILE 16 -1.922 -6.817 -1.528 119 H ALA 17 HN ALA 17 0.398 -10.553 -4.812 120 HA ALA 17 HA ALA 17 0.881 -12.306 -2.500 121 HB1 ALA 17 HB1 ALA 17 1.991 -12.944 -5.214 122 HB2 ALA 17 HB2 ALA 17 0.469 -13.618 -4.624 123 HB3 ALA 17 HB3 ALA 17 1.975 -13.960 -3.770 124 H ILE 18 HN ILE 18 2.854 -12.134 -1.543 125 HA ILE 18 HA ILE 18 4.604 -9.986 -2.501 126 HB ILE 18 HB ILE 18 4.622 -11.445 0.145 127 HG12 ILE 18 HG12 ILE 18 4.061 -8.657 0.373 128 HG13 ILE 18 HG11 ILE 18 2.970 -9.338 -0.833 129 HG21 ILE 18 HG21 ILE 18 6.837 -10.670 -0.400 130 HG22 ILE 18 HG22 ILE 18 6.154 -9.636 0.855 131 HG23 ILE 18 HG23 ILE 18 6.215 -9.073 -0.815 132 HD11 ILE 18 HD11 ILE 18 3.310 -10.816 1.705 133 HD12 ILE 18 HD12 ILE 18 1.889 -10.631 0.678 134 HD13 ILE 18 HD13 ILE 18 2.390 -9.312 1.738 135 H ASN 19 HN ASN 19 6.756 -10.276 -2.903 136 HA ASN 19 HA ASN 19 7.736 -13.054 -3.049 137 HB2 ASN 19 HB2 ASN 19 7.821 -10.860 -5.082 138 HB3 ASN 19 HB1 ASN 19 9.114 -12.055 -5.044 139 HD21 ASN 19 HD21 ASN 19 7.677 -11.907 -7.274 140 HD22 ASN 19 HD22 ASN 19 6.605 -13.254 -7.421 141 H GLU 20 HN GLU 20 9.249 -13.300 -1.589 142 HA GLU 20 HA GLU 20 11.142 -11.101 -1.134 143 HB2 GLU 20 HB2 GLU 20 9.954 -13.157 0.654 144 HB3 GLU 20 HB1 GLU 20 11.629 -12.716 0.955 145 HG2 GLU 20 HG2 GLU 20 11.057 -10.454 1.351 146 HG3 GLU 20 HG1 GLU 20 9.418 -10.694 0.747 147 H ASP 21 HN ASP 21 11.174 -13.024 -3.286 148 HA ASP 21 HA ASP 21 13.541 -14.641 -2.665 149 HB2 ASP 21 HB2 ASP 21 11.303 -15.372 -3.985 150 HB3 ASP 21 HB1 ASP 21 12.276 -14.816 -5.343 151 H VAL 22 HN VAL 22 12.469 -11.871 -4.440 152 HA VAL 22 HA VAL 22 15.008 -11.721 -5.904 153 HB VAL 22 HB VAL 22 13.589 -9.452 -6.601 154 HG11 VAL 22 HG11 VAL 22 13.156 -11.912 -8.200 155 HG12 VAL 22 HG12 VAL 22 14.818 -11.403 -7.901 156 HG13 VAL 22 HG13 VAL 22 13.691 -10.310 -8.705 157 HG21 VAL 22 HG21 VAL 22 11.639 -11.740 -6.355 158 HG22 VAL 22 HG22 VAL 22 11.339 -10.219 -7.196 159 HG23 VAL 22 HG23 VAL 22 11.590 -10.227 -5.450 160 H SER 23 HN SER 23 16.001 -9.461 -6.031 161 HA SER 23 HA SER 23 16.955 -8.681 -3.576 162 HB2 SER 23 HB2 SER 23 16.924 -7.481 -6.266 163 HB3 SER 23 HB1 SER 23 17.160 -6.339 -4.944 164 HG SER 23 HG SER 23 18.856 -8.237 -5.938 165 HA PRO 24 HA PRO 24 13.754 -5.227 -3.031 166 HB2 PRO 24 HB2 PRO 24 12.076 -4.511 -4.984 167 HB3 PRO 24 HB1 PRO 24 13.752 -3.939 -4.966 168 HG2 PRO 24 HG2 PRO 24 12.522 -6.146 -6.568 169 HG3 PRO 24 HG1 PRO 24 13.708 -4.928 -7.069 170 HD2 PRO 24 HD2 PRO 24 14.343 -7.514 -6.361 171 HD3 PRO 24 HD1 PRO 24 15.466 -6.145 -6.270 172 H ALA 25 HN ALA 25 12.913 -6.983 -1.757 173 HA ALA 25 HA ALA 25 11.063 -8.882 -2.481 174 HB1 ALA 25 HB1 ALA 25 12.134 -8.092 -0.103 175 HB2 ALA 25 HB2 ALA 25 10.882 -9.319 -0.302 176 HB3 ALA 25 HB3 ALA 25 10.434 -7.661 0.095 177 H GLU 26 HN GLU 26 9.629 -8.200 -3.951 178 HA GLU 26 HA GLU 26 7.704 -6.136 -3.131 179 HB2 GLU 26 HB2 GLU 26 7.291 -5.895 -5.608 180 HB3 GLU 26 HB1 GLU 26 8.867 -5.360 -5.023 181 HG2 GLU 26 HG2 GLU 26 9.966 -6.885 -6.233 182 HG3 GLU 26 HG1 GLU 26 8.791 -8.155 -5.889 183 H LEU 27 HN LEU 27 5.535 -6.360 -4.297 184 HA LEU 27 HA LEU 27 4.711 -9.153 -4.385 185 HB2 LEU 27 HB2 LEU 27 2.687 -8.621 -3.176 186 HB3 LEU 27 HB1 LEU 27 4.073 -8.136 -2.220 187 HG LEU 27 HG LEU 27 3.649 -5.789 -3.298 188 HD11 LEU 27 HD11 LEU 27 0.920 -5.817 -3.299 189 HD12 LEU 27 HD12 LEU 27 1.304 -7.334 -4.112 190 HD13 LEU 27 HD13 LEU 27 1.938 -5.813 -4.739 191 HD21 LEU 27 HD21 LEU 27 1.595 -6.594 -1.289 192 HD22 LEU 27 HD22 LEU 27 2.614 -5.155 -1.344 193 HD23 LEU 27 HD23 LEU 27 3.306 -6.708 -0.875 194 H THR 28 HN THR 28 3.166 -9.639 -5.954 195 HA THR 28 HA THR 28 2.374 -7.342 -7.602 196 HB THR 28 HB THR 28 3.281 -10.040 -8.540 197 HG1 THR 28 HG1 THR 28 5.048 -8.898 -8.491 198 HG21 THR 28 HG21 THR 28 1.407 -9.446 -9.926 199 HG22 THR 28 HG22 THR 28 2.911 -9.244 -10.825 200 HG23 THR 28 HG23 THR 28 2.077 -7.833 -10.173 201 H TRP 29 HN TRP 29 0.461 -7.373 -8.604 202 HA TRP 29 HA TRP 29 -1.544 -9.160 -7.417 203 HB2 TRP 29 HB2 TRP 29 -1.686 -6.725 -6.933 204 HB3 TRP 29 HB1 TRP 29 -1.865 -6.420 -8.655 205 HD1 TRP 29 HD1 TRP 29 -3.746 -8.061 -5.726 206 HE1 TRP 29 HE1 TRP 29 -6.256 -8.011 -6.274 207 HE3 TRP 29 HE3 TRP 29 -3.485 -6.244 -10.497 208 HZ2 TRP 29 HZ2 TRP 29 -7.911 -7.300 -8.437 209 HZ3 TRP 29 HZ3 TRP 29 -5.604 -5.914 -11.735 210 HH2 TRP 29 HH2 TRP 29 -7.755 -6.432 -10.728 211 H ARG 30 HN ARG 30 -2.760 -10.441 -8.720 212 HA ARG 30 HA ARG 30 -2.672 -9.929 -11.621 213 HB2 ARG 30 HB2 ARG 30 -1.111 -11.775 -10.923 214 HB3 ARG 30 HB1 ARG 30 -2.518 -12.678 -10.379 215 HG2 ARG 30 HG2 ARG 30 -3.274 -12.085 -12.898 216 HG3 ARG 30 HG1 ARG 30 -1.523 -12.177 -13.100 217 HD2 ARG 30 HD2 ARG 30 -1.908 -14.379 -13.350 218 HD3 ARG 30 HD1 ARG 30 -1.975 -14.376 -11.588 219 HE ARG 30 HE ARG 30 -4.529 -13.802 -12.603 220 HH11 ARG 30 HH11 ARG 30 -2.268 -16.451 -12.385 221 HH12 ARG 30 HH12 ARG 30 -3.500 -17.668 -12.401 222 HH21 ARG 30 HH21 ARG 30 -6.151 -15.401 -12.624 223 HH22 ARG 30 HH22 ARG 30 -5.704 -17.072 -12.537 224 H SER 31 HN SER 31 -4.653 -9.660 -12.414 225 HA SER 31 HA SER 31 -6.993 -10.064 -10.947 226 HB2 SER 31 HB2 SER 31 -6.361 -9.437 -13.774 227 HB3 SER 31 HB1 SER 31 -7.979 -10.054 -13.442 228 HG SER 31 HG SER 31 -8.001 -8.374 -11.729 229 H THR 32 HN THR 32 -8.646 -11.592 -11.069 230 HA THR 32 HA THR 32 -7.838 -14.269 -11.277 231 HB THR 32 HB THR 32 -10.592 -14.348 -11.523 232 HG1 THR 32 HG1 THR 32 -11.363 -12.674 -10.267 233 HG21 THR 32 HG21 THR 32 -10.514 -15.275 -9.504 234 HG22 THR 32 HG22 THR 32 -9.737 -13.865 -8.784 235 HG23 THR 32 HG23 THR 32 -8.767 -15.074 -9.626 236 H ASP 33 HN ASP 33 -9.150 -12.057 -13.588 237 HA ASP 33 HA ASP 33 -9.957 -14.001 -15.498 238 HB2 ASP 33 HB2 ASP 33 -10.740 -11.566 -15.326 239 HB3 ASP 33 HB1 ASP 33 -9.232 -11.151 -16.136 240 H GLY 34 HN GLY 34 -7.001 -12.354 -14.766 241 HA2 GLY 34 HA2 GLY 34 -4.850 -12.987 -15.397 242 HA3 GLY 34 HA1 GLY 34 -5.550 -14.115 -16.549 243 H ASP 35 HN ASP 35 -6.586 -10.802 -16.504 244 HA ASP 35 HA ASP 35 -5.289 -10.424 -19.079 245 HB2 ASP 35 HB2 ASP 35 -7.880 -10.236 -18.667 246 HB3 ASP 35 HB1 ASP 35 -7.458 -8.619 -18.111 247 H LYS 36 HN LYS 36 -5.579 -9.123 -15.888 248 HA LYS 36 HA LYS 36 -3.547 -7.112 -16.570 249 HB2 LYS 36 HB2 LYS 36 -4.596 -5.586 -14.924 250 HB3 LYS 36 HB1 LYS 36 -5.624 -5.926 -16.308 251 HG2 LYS 36 HG2 LYS 36 -5.928 -7.583 -13.866 252 HG3 LYS 36 HG1 LYS 36 -6.569 -5.940 -13.864 253 HD2 LYS 36 HD2 LYS 36 -7.208 -7.995 -15.976 254 HD3 LYS 36 HD1 LYS 36 -8.216 -7.689 -14.561 255 HE2 LYS 36 HE2 LYS 36 -8.261 -5.260 -15.319 256 HE3 LYS 36 HE1 LYS 36 -7.587 -5.836 -16.843 257 HZ1 LYS 36 HZ1 LYS 36 -9.515 -6.847 -17.421 258 HZ2 LYS 36 HZ2 LYS 36 -10.173 -5.635 -16.442 259 HZ3 LYS 36 HZ3 LYS 36 -9.964 -7.196 -15.827 260 H VAL 37 HN VAL 37 -1.953 -6.759 -15.091 261 HA VAL 37 HA VAL 37 -2.034 -8.137 -12.527 262 HB VAL 37 HB VAL 37 0.291 -8.533 -14.412 263 HG11 VAL 37 HG11 VAL 37 -0.314 -10.139 -11.958 264 HG12 VAL 37 HG12 VAL 37 0.547 -8.604 -11.845 265 HG13 VAL 37 HG13 VAL 37 1.220 -9.925 -12.801 266 HG21 VAL 37 HG21 VAL 37 -1.554 -9.719 -15.359 267 HG22 VAL 37 HG22 VAL 37 -2.016 -10.368 -13.785 268 HG23 VAL 37 HG23 VAL 37 -0.518 -10.896 -14.551 269 H HIS 38 HN HIS 38 -1.367 -6.719 -11.014 270 HA HIS 38 HA HIS 38 0.446 -4.566 -11.876 271 HB2 HIS 38 HB2 HIS 38 -1.804 -3.871 -11.066 272 HB3 HIS 38 HB1 HIS 38 -1.423 -4.578 -9.500 273 HD1 HIS 38 HD1 HIS 38 -1.577 -2.305 -8.301 274 HD2 HIS 38 HD2 HIS 38 1.283 -2.431 -11.314 275 HE1 HIS 38 HE1 HIS 38 -0.185 -0.233 -7.994 276 HE2 HIS 38 HE2 HIS 38 1.591 -0.375 -9.775 277 H THR 39 HN THR 39 2.439 -4.996 -11.364 278 HA THR 39 HA THR 39 3.175 -6.479 -8.926 279 HB THR 39 HB THR 39 4.776 -5.446 -11.294 280 HG1 THR 39 HG1 THR 39 4.581 -8.142 -10.614 281 HG21 THR 39 HG21 THR 39 6.387 -7.279 -10.113 282 HG22 THR 39 HG22 THR 39 5.704 -6.452 -8.712 283 HG23 THR 39 HG23 THR 39 6.555 -5.530 -9.953 284 H VAL 40 HN VAL 40 3.189 -5.182 -7.152 285 HA VAL 40 HA VAL 40 4.142 -2.425 -7.397 286 HB VAL 40 HB VAL 40 2.973 -3.766 -4.957 287 HG11 VAL 40 HG11 VAL 40 2.714 -0.869 -5.320 288 HG12 VAL 40 HG12 VAL 40 4.374 -1.435 -5.127 289 HG13 VAL 40 HG13 VAL 40 3.168 -1.800 -3.892 290 HG21 VAL 40 HG21 VAL 40 1.618 -3.282 -7.302 291 HG22 VAL 40 HG22 VAL 40 1.285 -1.837 -6.349 292 HG23 VAL 40 HG23 VAL 40 0.889 -3.429 -5.703 293 H VAL 41 HN VAL 41 6.299 -2.179 -7.197 294 HA VAL 41 HA VAL 41 7.885 -4.096 -5.821 295 HB VAL 41 HB VAL 41 8.797 -1.365 -6.689 296 HG11 VAL 41 HG11 VAL 41 10.089 -3.704 -5.480 297 HG12 VAL 41 HG12 VAL 41 10.637 -2.030 -5.581 298 HG13 VAL 41 HG13 VAL 41 10.895 -3.123 -6.939 299 HG21 VAL 41 HG21 VAL 41 7.713 -3.031 -8.426 300 HG22 VAL 41 HG22 VAL 41 9.293 -3.807 -8.316 301 HG23 VAL 41 HG23 VAL 41 9.172 -2.121 -8.819 302 H LEU 42 HN LEU 42 7.611 -4.289 -3.723 303 HA LEU 42 HA LEU 42 6.862 -2.406 -1.858 304 HB2 LEU 42 HB2 LEU 42 8.376 -4.946 -1.793 305 HB3 LEU 42 HB1 LEU 42 8.456 -3.949 -0.357 306 HG LEU 42 HG LEU 42 5.956 -3.998 -0.257 307 HD11 LEU 42 HD11 LEU 42 4.690 -4.937 -1.830 308 HD12 LEU 42 HD12 LEU 42 5.701 -6.381 -1.901 309 HD13 LEU 42 HD13 LEU 42 6.133 -4.952 -2.841 310 HD21 LEU 42 HD21 LEU 42 6.578 -5.511 1.267 311 HD22 LEU 42 HD22 LEU 42 7.800 -6.214 0.207 312 HD23 LEU 42 HD23 LEU 42 6.114 -6.716 0.065 313 H SER 43 HN SER 43 9.905 -2.835 -3.435 314 HA SER 43 HA SER 43 11.616 -1.566 -1.613 315 HB2 SER 43 HB2 SER 43 12.053 -2.836 -3.926 316 HB3 SER 43 HB1 SER 43 12.098 -1.177 -4.522 317 HG SER 43 HG SER 43 13.778 -2.444 -2.653 318 H THR 44 HN THR 44 9.908 -0.314 -4.416 319 HA THR 44 HA THR 44 10.583 2.402 -3.929 320 HB THR 44 HB THR 44 8.470 2.658 -5.505 321 HG1 THR 44 HG1 THR 44 8.087 0.810 -6.692 322 HG21 THR 44 HG21 THR 44 9.919 1.902 -7.478 323 HG22 THR 44 HG22 THR 44 11.162 1.615 -6.260 324 HG23 THR 44 HG23 THR 44 10.492 3.233 -6.473 325 H ILE 45 HN ILE 45 8.283 0.198 -2.651 326 HA ILE 45 HA ILE 45 6.400 2.217 -1.783 327 HB ILE 45 HB ILE 45 6.615 -0.687 -0.984 328 HG12 ILE 45 HG12 ILE 45 6.181 -0.284 -3.409 329 HG13 ILE 45 HG11 ILE 45 4.855 -1.100 -2.589 330 HG21 ILE 45 HG21 ILE 45 4.789 1.497 -0.206 331 HG22 ILE 45 HG22 ILE 45 5.278 0.053 0.681 332 HG23 ILE 45 HG23 ILE 45 4.042 -0.057 -0.571 333 HD11 ILE 45 HD11 ILE 45 4.313 1.643 -2.407 334 HD12 ILE 45 HD12 ILE 45 3.491 0.437 -3.398 335 HD13 ILE 45 HD13 ILE 45 4.848 1.348 -4.062 336 H ASP 46 HN ASP 46 7.177 3.630 -0.324 337 HA ASP 46 HA ASP 46 8.877 2.701 1.850 338 HB2 ASP 46 HB2 ASP 46 8.154 5.361 0.710 339 HB3 ASP 46 HB1 ASP 46 8.666 5.292 2.393 340 H LYS 47 HN LYS 47 5.634 2.799 1.339 341 HA LYS 47 HA LYS 47 5.094 2.822 4.200 342 HB2 LYS 47 HB2 LYS 47 4.296 4.946 2.392 343 HB3 LYS 47 HB1 LYS 47 2.903 4.190 3.155 344 HG2 LYS 47 HG2 LYS 47 3.375 5.812 4.682 345 HG3 LYS 47 HG1 LYS 47 4.341 4.486 5.331 346 HD2 LYS 47 HD2 LYS 47 6.005 6.001 5.316 347 HD3 LYS 47 HD1 LYS 47 6.100 5.610 3.597 348 HE2 LYS 47 HE2 LYS 47 5.241 7.598 2.966 349 HE3 LYS 47 HE1 LYS 47 4.110 7.655 4.317 350 HZ1 LYS 47 HZ1 LYS 47 5.900 8.340 5.765 351 HZ2 LYS 47 HZ2 LYS 47 5.794 9.399 4.450 352 HZ3 LYS 47 HZ3 LYS 47 7.018 8.233 4.499 353 H LEU 48 HN LEU 48 3.357 1.583 4.806 354 HA LEU 48 HA LEU 48 1.574 0.442 2.840 355 HB2 LEU 48 HB2 LEU 48 3.343 -1.115 2.553 356 HB3 LEU 48 HB1 LEU 48 3.643 -1.204 4.276 357 HG LEU 48 HG LEU 48 2.451 -3.175 3.071 358 HD11 LEU 48 HD11 LEU 48 2.765 -2.643 5.589 359 HD12 LEU 48 HD12 LEU 48 1.591 -3.863 5.095 360 HD13 LEU 48 HD13 LEU 48 1.047 -2.245 5.536 361 HD21 LEU 48 HD21 LEU 48 0.299 -2.986 2.451 362 HD22 LEU 48 HD22 LEU 48 0.680 -1.270 2.325 363 HD23 LEU 48 HD23 LEU 48 -0.097 -1.895 3.778 364 H GLN 49 HN GLN 49 -0.347 0.642 3.794 365 HA GLN 49 HA GLN 49 -0.517 0.113 6.689 366 HB2 GLN 49 HB2 GLN 49 -2.406 1.961 5.270 367 HB3 GLN 49 HB1 GLN 49 -2.022 1.877 6.982 368 HG2 GLN 49 HG2 GLN 49 -0.915 3.781 6.389 369 HG3 GLN 49 HG1 GLN 49 0.362 2.586 6.174 370 HE21 GLN 49 HE21 GLN 49 1.493 2.895 4.412 371 HE22 GLN 49 HE22 GLN 49 0.904 3.508 2.909 372 H ALA 50 HN ALA 50 -2.464 -0.754 7.489 373 HA ALA 50 HA ALA 50 -4.285 -1.953 5.528 374 HB1 ALA 50 HB1 ALA 50 -3.777 -4.063 6.033 375 HB2 ALA 50 HB2 ALA 50 -3.812 -3.732 7.765 376 HB3 ALA 50 HB3 ALA 50 -2.340 -3.433 6.839 377 H THR 51 HN THR 51 -6.400 -2.335 6.341 378 HA THR 51 HA THR 51 -7.113 -0.506 8.416 379 HB THR 51 HB THR 51 -9.448 -1.694 7.948 380 HG1 THR 51 HG1 THR 51 -9.109 -3.186 6.503 381 HG21 THR 51 HG21 THR 51 -8.714 0.661 7.418 382 HG22 THR 51 HG22 THR 51 -9.931 -0.039 6.365 383 HG23 THR 51 HG23 THR 51 -8.255 0.063 5.829 384 HA PRO 52 HA PRO 52 -7.083 -3.568 11.661 385 HB2 PRO 52 HB2 PRO 52 -6.927 -1.858 13.676 386 HB3 PRO 52 HB1 PRO 52 -5.590 -1.995 12.527 387 HG2 PRO 52 HG2 PRO 52 -7.655 0.129 12.784 388 HG3 PRO 52 HG1 PRO 52 -5.967 0.258 12.268 389 HD2 PRO 52 HD2 PRO 52 -8.269 0.082 10.607 390 HD3 PRO 52 HD1 PRO 52 -6.573 0.051 10.096 391 H ALA 53 HN ALA 53 -8.375 -4.020 13.618 392 HA ALA 53 HA ALA 53 -11.077 -4.167 13.198 393 HB1 ALA 53 HB1 ALA 53 -9.353 -4.380 15.595 394 HB2 ALA 53 HB2 ALA 53 -10.442 -5.561 14.868 395 HB3 ALA 53 HB3 ALA 53 -11.093 -4.250 15.851 396 H SER 54 HN SER 54 -9.481 -1.269 13.688 397 HA SER 54 HA SER 54 -11.156 0.190 15.382 398 HB2 SER 54 HB2 SER 54 -8.934 0.916 14.441 399 HB3 SER 54 HB1 SER 54 -9.775 1.200 12.913 400 HG SER 54 HG SER 54 -10.175 3.096 13.728 401 H SER 55 HN SER 55 -11.404 -0.748 12.086 402 HA SER 55 HA SER 55 -14.133 0.300 11.981 403 HB2 SER 55 HB2 SER 55 -12.144 1.572 10.740 404 HB3 SER 55 HB1 SER 55 -12.518 0.384 9.499 405 HG SER 55 HG SER 55 -14.235 2.324 10.637 406 H GLU 56 HN GLU 56 -15.230 -0.646 9.895 407 HA GLU 56 HA GLU 56 -14.815 -3.531 10.030 408 HB2 GLU 56 HB2 GLU 56 -17.080 -1.995 8.751 409 HB3 GLU 56 HB1 GLU 56 -17.026 -3.727 9.048 410 HG2 GLU 56 HG2 GLU 56 -16.821 -3.158 11.506 411 HG3 GLU 56 HG1 GLU 56 -17.240 -1.506 11.053 412 H LYS 57 HN LYS 57 -13.046 -1.761 8.450 413 HA LYS 57 HA LYS 57 -13.671 -2.582 5.734 414 HB2 LYS 57 HB2 LYS 57 -11.224 -1.174 5.745 415 HB3 LYS 57 HB1 LYS 57 -12.774 -0.634 5.132 416 HG2 LYS 57 HG2 LYS 57 -11.893 -0.315 7.985 417 HG3 LYS 57 HG1 LYS 57 -11.685 0.914 6.739 418 HD2 LYS 57 HD2 LYS 57 -14.357 0.191 6.543 419 HD3 LYS 57 HD1 LYS 57 -14.045 0.220 8.277 420 HE2 LYS 57 HE2 LYS 57 -13.007 2.488 7.940 421 HE3 LYS 57 HE1 LYS 57 -13.619 2.441 6.288 422 HZ1 LYS 57 HZ1 LYS 57 -15.365 3.459 7.256 423 HZ2 LYS 57 HZ2 LYS 57 -15.056 2.817 8.790 424 HZ3 LYS 57 HZ3 LYS 57 -15.834 1.874 7.620 425 H MET 58 HN MET 58 -11.740 -3.230 4.381 426 HA MET 58 HA MET 58 -9.687 -4.755 5.746 427 HB2 MET 58 HB2 MET 58 -10.300 -6.772 4.235 428 HB3 MET 58 HB1 MET 58 -11.208 -6.523 5.719 429 HG2 MET 58 HG2 MET 58 -12.316 -5.214 3.337 430 HG3 MET 58 HG1 MET 58 -12.316 -6.977 3.306 431 HE1 MET 58 HE1 MET 58 -15.122 -6.924 3.227 432 HE2 MET 58 HE2 MET 58 -15.592 -7.618 4.779 433 HE3 MET 58 HE3 MET 58 -14.158 -8.218 3.942 434 H MET 59 HN MET 59 -8.716 -2.847 4.613 435 HA MET 59 HA MET 59 -8.145 -3.492 1.794 436 HB2 MET 59 HB2 MET 59 -7.815 -1.023 1.499 437 HB3 MET 59 HB1 MET 59 -9.469 -1.498 1.860 438 HG2 MET 59 HG2 MET 59 -8.142 -1.003 4.310 439 HG3 MET 59 HG1 MET 59 -7.801 0.341 3.229 440 HE1 MET 59 HE1 MET 59 -8.630 1.737 4.844 441 HE2 MET 59 HE2 MET 59 -10.247 1.797 5.542 442 HE3 MET 59 HE3 MET 59 -9.926 2.577 3.995 443 H LEU 60 HN LEU 60 -6.134 -2.240 1.052 444 HA LEU 60 HA LEU 60 -4.035 -2.050 3.058 445 HB2 LEU 60 HB2 LEU 60 -4.290 -4.253 1.173 446 HB3 LEU 60 HB1 LEU 60 -2.775 -3.397 0.964 447 HG LEU 60 HG LEU 60 -3.764 -4.698 3.504 448 HD11 LEU 60 HD11 LEU 60 -1.808 -6.150 3.222 449 HD12 LEU 60 HD12 LEU 60 -1.448 -5.357 1.686 450 HD13 LEU 60 HD13 LEU 60 -2.930 -6.294 1.866 451 HD21 LEU 60 HD21 LEU 60 -2.494 -3.216 4.572 452 HD22 LEU 60 HD22 LEU 60 -1.820 -2.593 3.068 453 HD23 LEU 60 HD23 LEU 60 -1.105 -4.011 3.834 454 H ARG 61 HN ARG 61 -2.791 -0.307 2.633 455 HA ARG 61 HA ARG 61 -2.918 0.817 -0.092 456 HB2 ARG 61 HB2 ARG 61 -4.120 2.223 1.468 457 HB3 ARG 61 HB1 ARG 61 -2.749 2.242 2.567 458 HG2 ARG 61 HG2 ARG 61 -1.909 4.016 1.549 459 HG3 ARG 61 HG1 ARG 61 -1.902 3.170 0.002 460 HD2 ARG 61 HD2 ARG 61 -4.110 3.886 -0.497 461 HD3 ARG 61 HD1 ARG 61 -4.363 4.467 1.148 462 HE ARG 61 HE ARG 61 -2.196 5.847 0.021 463 HH11 ARG 61 HH11 ARG 61 -5.659 5.581 -0.319 464 HH12 ARG 61 HH12 ARG 61 -5.852 7.201 -0.899 465 HH21 ARG 61 HH21 ARG 61 -2.448 7.978 -0.741 466 HH22 ARG 61 HH22 ARG 61 -4.030 8.562 -1.139 467 H LEU 62 HN LEU 62 -1.066 1.477 -1.072 468 HA LEU 62 HA LEU 62 1.444 1.163 0.442 469 HB2 LEU 62 HB2 LEU 62 0.889 0.334 -2.407 470 HB3 LEU 62 HB1 LEU 62 2.479 0.353 -1.677 471 HG LEU 62 HG LEU 62 1.568 -1.907 -1.759 472 HD11 LEU 62 HD11 LEU 62 1.966 -0.643 0.927 473 HD12 LEU 62 HD12 LEU 62 3.071 -1.654 -0.005 474 HD13 LEU 62 HD13 LEU 62 1.654 -2.371 0.761 475 HD21 LEU 62 HD21 LEU 62 -0.460 -1.432 0.312 476 HD22 LEU 62 HD22 LEU 62 -0.489 -2.506 -1.086 477 HD23 LEU 62 HD23 LEU 62 -0.853 -0.792 -1.284 478 H ILE 63 HN ILE 63 2.503 3.028 0.561 479 HA ILE 63 HA ILE 63 2.121 4.997 -1.590 480 HB ILE 63 HB ILE 63 2.660 5.310 1.338 481 HG12 ILE 63 HG12 ILE 63 0.943 7.287 0.291 482 HG13 ILE 63 HG11 ILE 63 0.487 5.774 -0.487 483 HG21 ILE 63 HG21 ILE 63 3.041 7.754 0.880 484 HG22 ILE 63 HG22 ILE 63 3.321 7.315 -0.806 485 HG23 ILE 63 HG23 ILE 63 4.377 6.682 0.458 486 HD11 ILE 63 HD11 ILE 63 -0.726 6.304 1.623 487 HD12 ILE 63 HD12 ILE 63 0.803 6.082 2.475 488 HD13 ILE 63 HD13 ILE 63 0.081 4.736 1.593 489 H GLY 64 HN GLY 64 3.729 4.741 -3.026 490 HA2 GLY 64 HA2 GLY 64 6.420 4.093 -2.105 491 HA3 GLY 64 HA1 GLY 64 5.871 4.120 -3.773 492 H LYS 65 HN LYS 65 8.276 5.272 -2.737 493 HA LYS 65 HA LYS 65 9.527 7.158 -2.927 494 HB2 LYS 65 HB2 LYS 65 7.828 7.158 -5.087 495 HB3 LYS 65 HB1 LYS 65 7.543 8.746 -4.389 496 HG2 LYS 65 HG2 LYS 65 9.249 9.185 -5.857 497 HG3 LYS 65 HG1 LYS 65 10.141 8.900 -4.361 498 HD2 LYS 65 HD2 LYS 65 10.324 6.475 -5.128 499 HD3 LYS 65 HD1 LYS 65 9.779 7.051 -6.704 500 HE2 LYS 65 HE2 LYS 65 11.717 8.815 -6.312 501 HE3 LYS 65 HE1 LYS 65 12.344 7.529 -5.281 502 HZ1 LYS 65 HZ1 LYS 65 11.614 7.225 -8.145 503 HZ2 LYS 65 HZ2 LYS 65 12.268 6.021 -7.153 504 HZ3 LYS 65 HZ3 LYS 65 13.191 7.381 -7.549 505 H VAL 66 HN VAL 66 9.713 9.399 -2.238 506 HA VAL 66 HA VAL 66 8.307 9.889 0.169 507 HB VAL 66 HB VAL 66 9.500 12.048 0.206 508 HG11 VAL 66 HG11 VAL 66 10.827 9.445 -0.192 509 HG12 VAL 66 HG12 VAL 66 10.907 10.567 1.167 510 HG13 VAL 66 HG13 VAL 66 11.868 10.866 -0.281 511 HG21 VAL 66 HG21 VAL 66 10.463 13.000 -1.589 512 HG22 VAL 66 HG22 VAL 66 9.404 11.931 -2.509 513 HG23 VAL 66 HG23 VAL 66 11.077 11.464 -2.200 514 H ASP 67 HN ASP 67 7.547 12.358 0.453 515 HA ASP 67 HA ASP 67 5.146 12.551 -1.113 516 HB2 ASP 67 HB2 ASP 67 4.535 14.347 0.380 517 HB3 ASP 67 HB1 ASP 67 5.240 13.045 1.332 518 H GLU 68 HN GLU 68 4.703 15.230 -1.391 519 HA GLU 68 HA GLU 68 6.719 16.006 -3.356 520 HB2 GLU 68 HB2 GLU 68 4.786 17.366 -4.348 521 HB3 GLU 68 HB1 GLU 68 4.751 15.622 -4.561 522 HG2 GLU 68 HG2 GLU 68 2.558 16.431 -3.985 523 HG3 GLU 68 HG1 GLU 68 3.194 15.434 -2.678 524 H SER 69 HN SER 69 5.092 16.943 -0.490 525 HA SER 69 HA SER 69 5.154 19.698 -0.572 526 HB2 SER 69 HB2 SER 69 4.287 18.126 1.282 527 HB3 SER 69 HB1 SER 69 5.931 18.193 1.915 528 HG SER 69 HG SER 69 3.967 19.987 2.172 529 H LYS 70 HN LYS 70 7.796 17.497 -0.347 530 HA LYS 70 HA LYS 70 9.667 19.560 0.444 531 HB2 LYS 70 HB2 LYS 70 11.313 17.759 0.533 532 HB3 LYS 70 HB1 LYS 70 9.873 17.338 1.452 533 HG2 LYS 70 HG2 LYS 70 9.566 16.437 -1.240 534 HG3 LYS 70 HG1 LYS 70 11.114 15.873 -0.604 535 HD2 LYS 70 HD2 LYS 70 8.802 15.615 1.211 536 HD3 LYS 70 HD1 LYS 70 8.776 14.585 -0.221 537 HE2 LYS 70 HE2 LYS 70 10.817 13.554 0.363 538 HE3 LYS 70 HE1 LYS 70 11.174 14.778 1.581 539 HZ1 LYS 70 HZ1 LYS 70 8.719 13.252 1.940 540 HZ2 LYS 70 HZ2 LYS 70 9.832 13.798 3.090 541 HZ3 LYS 70 HZ3 LYS 70 10.169 12.413 2.180 542 H LYS 71 HN LYS 71 8.236 19.020 -2.344 543 HA LYS 71 HA LYS 71 10.190 18.493 -4.246 544 HB2 LYS 71 HB2 LYS 71 8.693 19.296 -5.855 545 HB3 LYS 71 HB1 LYS 71 7.662 18.715 -4.559 546 HG2 LYS 71 HG2 LYS 71 8.291 21.496 -4.171 547 HG3 LYS 71 HG1 LYS 71 7.623 21.226 -5.781 548 HD2 LYS 71 HD2 LYS 71 5.822 19.843 -4.557 549 HD3 LYS 71 HD1 LYS 71 6.390 20.669 -3.104 550 HE2 LYS 71 HE2 LYS 71 5.461 22.063 -5.612 551 HE3 LYS 71 HE1 LYS 71 4.445 21.770 -4.201 552 HZ1 LYS 71 HZ1 LYS 71 6.147 23.032 -2.895 553 HZ2 LYS 71 HZ2 LYS 71 5.280 23.957 -4.015 554 HZ3 LYS 71 HZ3 LYS 71 6.864 23.476 -4.362 555 H ARG 72 HN ARG 72 10.167 20.673 -6.003 556 HA ARG 72 HA ARG 72 11.168 23.030 -4.738 557 HB2 ARG 72 HB2 ARG 72 13.471 22.845 -5.688 558 HB3 ARG 72 HB1 ARG 72 13.142 21.711 -4.385 559 HG2 ARG 72 HG2 ARG 72 12.795 20.889 -7.239 560 HG3 ARG 72 HG1 ARG 72 14.389 20.886 -6.483 561 HD2 ARG 72 HD2 ARG 72 11.947 19.347 -5.608 562 HD3 ARG 72 HD1 ARG 72 13.437 18.691 -6.284 563 HE ARG 72 HE ARG 72 14.191 20.067 -4.025 564 HH11 ARG 72 HH11 ARG 72 12.067 17.396 -4.756 565 HH12 ARG 72 HH12 ARG 72 12.290 16.635 -3.217 566 HH21 ARG 72 HH21 ARG 72 14.485 19.068 -2.000 567 HH22 ARG 72 HH22 ARG 72 13.662 17.584 -1.651 568 H LYS 73 HN LYS 73 10.996 24.724 -6.090 569 HA LYS 73 HA LYS 73 9.649 24.517 -8.513 570 HB2 LYS 73 HB2 LYS 73 10.598 26.904 -8.883 571 HB3 LYS 73 HB1 LYS 73 9.520 26.619 -7.527 572 HG2 LYS 73 HG2 LYS 73 11.532 28.037 -7.045 573 HG3 LYS 73 HG1 LYS 73 11.304 26.652 -5.977 574 HD2 LYS 73 HD2 LYS 73 12.957 25.387 -7.263 575 HD3 LYS 73 HD1 LYS 73 13.178 26.766 -8.341 576 HE2 LYS 73 HE2 LYS 73 14.431 27.905 -6.844 577 HE3 LYS 73 HE1 LYS 73 13.500 27.323 -5.465 578 HZ1 LYS 73 HZ1 LYS 73 15.963 26.536 -5.934 579 HZ2 LYS 73 HZ2 LYS 73 15.161 25.377 -6.870 580 HZ3 LYS 73 HZ3 LYS 73 14.818 25.515 -5.220 581 H ASP 74 HN ASP 74 10.783 25.856 -10.503 582 HA ASP 74 HA ASP 74 13.352 24.611 -11.062 583 HB2 ASP 74 HB2 ASP 74 11.191 23.438 -12.060 584 HB3 ASP 74 HB1 ASP 74 11.359 24.703 -13.273 585 H ASN 75 HN ASN 75 14.131 25.491 -13.333 586 HA ASN 75 HA ASN 75 14.614 28.222 -13.019 587 HB2 ASN 75 HB2 ASN 75 14.926 26.383 -15.381 588 HB3 ASN 75 HB1 ASN 75 15.405 28.076 -15.444 589 HD21 ASN 75 HD21 ASN 75 16.928 25.510 -15.570 590 HD22 ASN 75 HD22 ASN 75 18.163 25.673 -14.373 591 H GLU 76 HN GLU 76 12.163 26.526 -14.805 592 HA GLU 76 HA GLU 76 11.145 29.006 -15.918 593 HB2 GLU 76 HB2 GLU 76 10.825 26.132 -16.570 594 HB3 GLU 76 HB1 GLU 76 9.451 27.178 -16.902 595 HG2 GLU 76 HG2 GLU 76 10.492 28.243 -18.597 596 HG3 GLU 76 HG1 GLU 76 12.080 28.133 -17.839 597 H GLY 77 HN GLY 77 10.654 26.952 -13.276 598 HA2 GLY 77 HA2 GLY 77 9.203 27.482 -11.487 599 HA3 GLY 77 HA1 GLY 77 8.197 28.392 -12.604 600 H ASN 78 HN ASN 78 9.239 25.257 -13.585 601 HA ASN 78 HA ASN 78 6.493 24.323 -13.533 602 HB2 ASN 78 HB2 ASN 78 8.968 22.929 -14.570 603 HB3 ASN 78 HB1 ASN 78 7.297 22.465 -14.879 604 HD21 ASN 78 HD21 ASN 78 8.472 22.681 -17.086 605 HD22 ASN 78 HD22 ASN 78 8.241 24.196 -17.884 606 H GLU 79 HN GLU 79 9.345 23.977 -11.655 607 HA GLU 79 HA GLU 79 9.817 22.805 -9.765 608 HB2 GLU 79 HB2 GLU 79 6.916 21.979 -9.714 609 HB3 GLU 79 HB1 GLU 79 8.025 22.100 -8.355 610 HG2 GLU 79 HG2 GLU 79 7.614 24.268 -8.070 611 HG3 GLU 79 HG1 GLU 79 7.720 24.608 -9.797 612 H VAL 80 HN VAL 80 9.309 20.451 -8.742 613 HA VAL 80 HA VAL 80 9.538 18.534 -10.975 614 HB VAL 80 HB VAL 80 11.683 18.890 -9.797 615 HG11 VAL 80 HG11 VAL 80 11.970 18.116 -7.507 616 HG12 VAL 80 HG12 VAL 80 10.250 17.741 -7.408 617 HG13 VAL 80 HG13 VAL 80 10.778 19.414 -7.582 618 HG21 VAL 80 HG21 VAL 80 11.380 16.779 -10.859 619 HG22 VAL 80 HG22 VAL 80 10.377 16.188 -9.533 620 HG23 VAL 80 HG23 VAL 80 12.102 16.464 -9.281 621 H VAL 81 HN VAL 81 8.435 19.092 -7.698 622 HA VAL 81 HA VAL 81 7.174 17.831 -6.261 623 HB VAL 81 HB VAL 81 5.530 19.042 -7.444 624 HG11 VAL 81 HG11 VAL 81 6.213 18.605 -9.703 625 HG12 VAL 81 HG12 VAL 81 4.499 18.226 -9.528 626 HG13 VAL 81 HG13 VAL 81 5.689 16.926 -9.579 627 HG21 VAL 81 HG21 VAL 81 3.872 17.859 -6.541 628 HG22 VAL 81 HG22 VAL 81 5.022 16.543 -6.304 629 HG23 VAL 81 HG23 VAL 81 4.033 16.597 -7.763 630 HA PRO 82 HA PRO 82 8.883 13.709 -7.448 631 HB2 PRO 82 HB2 PRO 82 8.401 13.500 -4.507 632 HB3 PRO 82 HB1 PRO 82 9.787 12.954 -5.460 633 HG2 PRO 82 HG2 PRO 82 9.974 15.152 -4.000 634 HG3 PRO 82 HG1 PRO 82 10.675 15.103 -5.630 635 HD2 PRO 82 HD2 PRO 82 8.150 16.394 -4.687 636 HD3 PRO 82 HD1 PRO 82 9.327 16.965 -5.887 637 H LYS 83 HN LYS 83 6.833 13.383 -8.569 638 HA LYS 83 HA LYS 83 4.384 12.799 -7.461 639 HB2 LYS 83 HB2 LYS 83 5.691 11.501 -9.856 640 HB3 LYS 83 HB1 LYS 83 3.981 11.385 -9.467 641 HG2 LYS 83 HG2 LYS 83 3.793 13.133 -10.852 642 HG3 LYS 83 HG1 LYS 83 4.318 14.068 -9.450 643 HD2 LYS 83 HD2 LYS 83 6.341 14.510 -10.344 644 HD3 LYS 83 HD1 LYS 83 6.487 12.904 -11.061 645 HE2 LYS 83 HE2 LYS 83 4.606 14.972 -12.159 646 HE3 LYS 83 HE1 LYS 83 6.299 14.901 -12.648 647 HZ1 LYS 83 HZ1 LYS 83 5.677 12.397 -13.049 648 HZ2 LYS 83 HZ2 LYS 83 5.368 13.575 -14.223 649 HZ3 LYS 83 HZ3 LYS 83 4.119 13.035 -13.219 650 HA PRO 84 HA PRO 84 5.751 9.151 -5.111 651 HB2 PRO 84 HB2 PRO 84 3.230 9.531 -3.671 652 HB3 PRO 84 HB1 PRO 84 4.886 9.573 -3.057 653 HG2 PRO 84 HG2 PRO 84 3.382 11.798 -3.232 654 HG3 PRO 84 HG1 PRO 84 5.136 11.819 -3.496 655 HD2 PRO 84 HD2 PRO 84 2.922 11.794 -5.523 656 HD3 PRO 84 HD1 PRO 84 4.395 12.788 -5.483 657 H GLN 85 HN GLN 85 4.196 7.240 -4.244 658 HA GLN 85 HA GLN 85 2.312 6.564 -6.398 659 HB2 GLN 85 HB2 GLN 85 4.736 5.098 -5.519 660 HB3 GLN 85 HB1 GLN 85 3.309 4.127 -5.857 661 HG2 GLN 85 HG2 GLN 85 3.183 5.215 -8.092 662 HG3 GLN 85 HG1 GLN 85 4.721 6.000 -7.739 663 HE21 GLN 85 HE21 GLN 85 3.412 2.722 -7.341 664 HE22 GLN 85 HE22 GLN 85 4.728 1.919 -8.120 665 H ARG 86 HN ARG 86 0.771 7.281 -4.734 666 HA ARG 86 HA ARG 86 0.408 5.352 -2.550 667 HB2 ARG 86 HB2 ARG 86 -1.175 7.886 -2.882 668 HB3 ARG 86 HB1 ARG 86 -0.864 6.969 -1.415 669 HG2 ARG 86 HG2 ARG 86 1.539 7.637 -1.611 670 HG3 ARG 86 HG1 ARG 86 1.066 8.707 -2.932 671 HD2 ARG 86 HD2 ARG 86 -0.664 9.100 -0.672 672 HD3 ARG 86 HD1 ARG 86 1.020 9.248 -0.175 673 HE ARG 86 HE ARG 86 -0.446 11.011 -1.938 674 HH11 ARG 86 HH11 ARG 86 2.695 9.991 -0.802 675 HH12 ARG 86 HH12 ARG 86 3.475 11.468 -1.257 676 HH21 ARG 86 HH21 ARG 86 0.581 12.952 -2.535 677 HH22 ARG 86 HH22 ARG 86 2.277 13.148 -2.240 678 H HIS 87 HN HIS 87 -1.196 3.896 -2.607 679 HA HIS 87 HA HIS 87 -3.561 4.417 -4.216 680 HB2 HIS 87 HB2 HIS 87 -3.391 2.573 -5.625 681 HB3 HIS 87 HB1 HIS 87 -1.750 3.194 -5.592 682 HD1 HIS 87 HD1 HIS 87 -3.056 0.139 -5.956 683 HD2 HIS 87 HD2 HIS 87 -0.626 1.664 -2.952 684 HE1 HIS 87 HE1 HIS 87 -1.914 -1.856 -4.940 685 HE2 HIS 87 HE2 HIS 87 -0.374 -0.901 -3.193 686 H MET 88 HN MET 88 -5.375 3.158 -3.655 687 HA MET 88 HA MET 88 -5.115 1.853 -1.025 688 HB2 MET 88 HB2 MET 88 -6.479 3.776 -0.800 689 HB3 MET 88 HB1 MET 88 -7.361 3.424 -2.277 690 HG2 MET 88 HG2 MET 88 -8.734 2.995 -0.334 691 HG3 MET 88 HG1 MET 88 -8.405 1.497 -1.201 692 HE1 MET 88 HE1 MET 88 -7.815 2.283 3.142 693 HE2 MET 88 HE2 MET 88 -9.284 2.080 2.184 694 HE3 MET 88 HE3 MET 88 -8.262 3.490 1.936 695 H PHE 89 HN PHE 89 -5.143 -0.276 -1.178 696 HA PHE 89 HA PHE 89 -6.651 -1.604 -3.303 697 HB2 PHE 89 HB2 PHE 89 -4.200 -2.119 -2.012 698 HB3 PHE 89 HB1 PHE 89 -5.288 -3.395 -1.489 699 HD1 PHE 89 HD1 PHE 89 -6.921 -3.927 -3.798 700 HD2 PHE 89 HD2 PHE 89 -2.780 -2.980 -3.580 701 HE1 PHE 89 HE1 PHE 89 -6.544 -5.099 -5.929 702 HE2 PHE 89 HE2 PHE 89 -2.396 -4.148 -5.710 703 HZ PHE 89 HZ PHE 89 -4.281 -5.204 -6.885 704 H SER 90 HN SER 90 -8.555 -2.688 -2.914 705 HA SER 90 HA SER 90 -9.286 -3.105 -0.090 706 HB2 SER 90 HB2 SER 90 -10.355 -1.079 -1.405 707 HB3 SER 90 HB1 SER 90 -11.403 -2.343 -2.049 708 HG SER 90 HG SER 90 -12.205 -1.352 -0.110 709 H PHE 91 HN PHE 91 -10.011 -5.053 0.389 710 HA PHE 91 HA PHE 91 -11.191 -6.694 -1.732 711 HB2 PHE 91 HB2 PHE 91 -9.911 -8.531 -0.049 712 HB3 PHE 91 HB1 PHE 91 -9.484 -8.126 -1.705 713 HD1 PHE 91 HD1 PHE 91 -8.107 -5.678 -1.680 714 HD2 PHE 91 HD2 PHE 91 -8.137 -8.688 1.323 715 HE1 PHE 91 HE1 PHE 91 -5.896 -4.935 -0.912 716 HE2 PHE 91 HE2 PHE 91 -5.930 -7.953 2.083 717 HZ PHE 91 HZ PHE 91 -4.801 -6.074 0.973 718 H ASN 92 HN ASN 92 -12.276 -8.695 -0.719 719 HA ASN 92 HA ASN 92 -13.924 -7.712 1.481 720 HB2 ASN 92 HB2 ASN 92 -14.280 -10.039 -0.417 721 HB3 ASN 92 HB1 ASN 92 -15.402 -9.645 0.882 722 HD21 ASN 92 HD21 ASN 92 -13.957 -8.449 -2.088 723 HD22 ASN 92 HD22 ASN 92 -15.242 -7.370 -2.497 724 H ASN 93 HN ASN 93 -11.174 -8.761 1.873 725 HA ASN 93 HA ASN 93 -11.857 -10.897 3.775 726 HB2 ASN 93 HB2 ASN 93 -9.245 -10.733 2.271 727 HB3 ASN 93 HB1 ASN 93 -9.801 -12.043 3.308 728 HD21 ASN 93 HD21 ASN 93 -10.113 -10.502 0.213 729 HD22 ASN 93 HD22 ASN 93 -10.993 -11.773 -0.558 730 H ARG 94 HN ARG 94 -11.735 -9.998 5.717 731 HA ARG 94 HA ARG 94 -9.901 -7.855 6.299 732 HB2 ARG 94 HB2 ARG 94 -12.146 -7.891 7.288 733 HB3 ARG 94 HB1 ARG 94 -11.763 -9.395 8.115 734 HG2 ARG 94 HG2 ARG 94 -9.971 -7.088 8.598 735 HG3 ARG 94 HG1 ARG 94 -11.590 -7.027 9.298 736 HD2 ARG 94 HD2 ARG 94 -10.865 -9.548 9.944 737 HD3 ARG 94 HD1 ARG 94 -9.294 -8.748 9.966 738 HE ARG 94 HE ARG 94 -11.321 -7.322 11.413 739 HH11 ARG 94 HH11 ARG 94 -8.942 -9.868 11.602 740 HH12 ARG 94 HH12 ARG 94 -8.774 -9.755 13.321 741 HH21 ARG 94 HH21 ARG 94 -11.101 -7.171 13.675 742 HH22 ARG 94 HH22 ARG 94 -10.000 -8.224 14.499 743 H THR 95 HN THR 95 -10.042 -11.299 6.773 744 HA THR 95 HA THR 95 -7.978 -11.417 8.748 745 HB THR 95 HB THR 95 -9.871 -13.156 7.989 746 HG1 THR 95 HG1 THR 95 -8.702 -14.695 9.188 747 HG21 THR 95 HG21 THR 95 -8.888 -15.110 6.932 748 HG22 THR 95 HG22 THR 95 -7.401 -14.211 6.636 749 HG23 THR 95 HG23 THR 95 -8.898 -13.726 5.839 750 H VAL 96 HN VAL 96 -8.121 -12.005 5.260 751 HA VAL 96 HA VAL 96 -5.430 -12.713 4.896 752 HB VAL 96 HB VAL 96 -7.166 -11.272 2.888 753 HG11 VAL 96 HG11 VAL 96 -4.539 -11.859 2.682 754 HG12 VAL 96 HG12 VAL 96 -5.645 -11.792 1.309 755 HG13 VAL 96 HG13 VAL 96 -5.250 -13.344 2.049 756 HG21 VAL 96 HG21 VAL 96 -7.860 -13.597 4.119 757 HG22 VAL 96 HG22 VAL 96 -6.963 -14.193 2.723 758 HG23 VAL 96 HG23 VAL 96 -8.355 -13.135 2.491 759 H MET 97 HN MET 97 -7.001 -9.583 4.195 760 HA MET 97 HA MET 97 -4.877 -8.053 3.506 761 HB2 MET 97 HB2 MET 97 -6.061 -6.141 4.666 762 HB3 MET 97 HB1 MET 97 -7.005 -7.044 3.497 763 HG2 MET 97 HG2 MET 97 -8.558 -7.117 5.081 764 HG3 MET 97 HG1 MET 97 -7.562 -8.379 5.801 765 HE1 MET 97 HE1 MET 97 -6.069 -4.633 5.938 766 HE2 MET 97 HE2 MET 97 -7.337 -3.946 6.951 767 HE3 MET 97 HE3 MET 97 -7.738 -4.615 5.369 768 H ASP 98 HN ASP 98 -5.911 -8.470 6.892 769 HA ASP 98 HA ASP 98 -3.757 -7.004 7.964 770 HB2 ASP 98 HB2 ASP 98 -5.867 -7.445 9.184 771 HB3 ASP 98 HB1 ASP 98 -5.415 -9.141 9.319 772 H ASN 99 HN ASN 99 -4.050 -10.310 6.951 773 HA ASN 99 HA ASN 99 -1.700 -11.188 8.375 774 HB2 ASN 99 HB2 ASN 99 -3.681 -12.435 6.534 775 HB3 ASN 99 HB1 ASN 99 -2.091 -13.185 6.647 776 HD21 ASN 99 HD21 ASN 99 -4.509 -14.385 7.443 777 HD22 ASN 99 HD22 ASN 99 -4.439 -14.648 9.149 778 H ILE 100 HN ILE 100 -2.507 -10.115 5.128 779 HA ILE 100 HA ILE 100 0.140 -10.750 4.133 780 HB ILE 100 HB ILE 100 -1.900 -11.001 2.713 781 HG12 ILE 100 HG12 ILE 100 0.420 -9.289 1.854 782 HG13 ILE 100 HG11 ILE 100 0.142 -10.998 1.543 783 HG21 ILE 100 HG21 ILE 100 -3.295 -9.323 2.254 784 HG22 ILE 100 HG22 ILE 100 -1.976 -8.195 1.939 785 HG23 ILE 100 HG23 ILE 100 -2.520 -8.478 3.592 786 HD11 ILE 100 HD11 ILE 100 -1.645 -10.437 -0.005 787 HD12 ILE 100 HD12 ILE 100 -0.137 -9.645 -0.463 788 HD13 ILE 100 HD13 ILE 100 -1.412 -8.719 0.335 789 H LYS 101 HN LYS 101 -1.470 -8.014 5.538 790 HA LYS 101 HA LYS 101 0.282 -6.053 4.373 791 HB2 LYS 101 HB2 LYS 101 -0.838 -4.489 5.840 792 HB3 LYS 101 HB1 LYS 101 -2.037 -5.553 5.118 793 HG2 LYS 101 HG2 LYS 101 -2.789 -5.716 7.203 794 HG3 LYS 101 HG1 LYS 101 -1.500 -6.904 7.376 795 HD2 LYS 101 HD2 LYS 101 -0.289 -5.573 8.731 796 HD3 LYS 101 HD1 LYS 101 -0.688 -4.115 7.816 797 HE2 LYS 101 HE2 LYS 101 -2.395 -3.601 9.164 798 HE3 LYS 101 HE1 LYS 101 -2.971 -5.273 9.188 799 HZ1 LYS 101 HZ1 LYS 101 -1.156 -3.905 11.024 800 HZ2 LYS 101 HZ2 LYS 101 -0.849 -5.539 10.714 801 HZ3 LYS 101 HZ3 LYS 101 -2.345 -5.065 11.344 802 H MET 102 HN MET 102 0.082 -7.892 7.325 803 HA MET 102 HA MET 102 1.937 -6.570 8.912 804 HB2 MET 102 HB2 MET 102 0.985 -9.396 8.746 805 HB3 MET 102 HB1 MET 102 2.371 -9.034 9.765 806 HG2 MET 102 HG2 MET 102 1.137 -7.742 11.220 807 HG3 MET 102 HG1 MET 102 -0.122 -7.420 10.029 808 HE1 MET 102 HE1 MET 102 0.502 -10.743 12.914 809 HE2 MET 102 HE2 MET 102 1.742 -9.904 11.982 810 HE3 MET 102 HE3 MET 102 1.022 -11.388 11.357 811 H THR 103 HN THR 103 2.475 -9.140 6.522 812 HA THR 103 HA THR 103 5.207 -9.501 6.902 813 HB THR 103 HB THR 103 3.654 -9.676 4.312 814 HG1 THR 103 HG1 THR 103 3.109 -11.653 4.923 815 HG21 THR 103 HG21 THR 103 6.425 -10.098 4.827 816 HG22 THR 103 HG22 THR 103 5.526 -10.290 3.321 817 HG23 THR 103 HG23 THR 103 5.657 -11.640 4.448 818 H LEU 104 HN LEU 104 3.481 -7.129 4.940 819 HA LEU 104 HA LEU 104 5.858 -6.005 3.806 820 HB2 LEU 104 HB2 LEU 104 2.977 -5.159 3.889 821 HB3 LEU 104 HB1 LEU 104 4.214 -4.111 3.220 822 HG LEU 104 HG LEU 104 4.734 -6.394 1.860 823 HD11 LEU 104 HD11 LEU 104 2.938 -7.678 2.733 824 HD12 LEU 104 HD12 LEU 104 2.499 -7.226 1.086 825 HD13 LEU 104 HD13 LEU 104 1.785 -6.373 2.454 826 HD21 LEU 104 HD21 LEU 104 2.571 -4.794 0.678 827 HD22 LEU 104 HD22 LEU 104 4.188 -5.148 0.070 828 HD23 LEU 104 HD23 LEU 104 3.955 -3.870 1.261 829 H GLN 105 HN GLN 105 3.550 -4.923 6.293 830 HA GLN 105 HA GLN 105 4.627 -2.511 6.997 831 HB2 GLN 105 HB2 GLN 105 3.333 -4.650 8.668 832 HB3 GLN 105 HB1 GLN 105 3.855 -3.130 9.379 833 HG2 GLN 105 HG2 GLN 105 2.449 -2.063 7.472 834 HG3 GLN 105 HG1 GLN 105 1.680 -3.649 7.408 835 HE21 GLN 105 HE21 GLN 105 -0.174 -2.192 7.984 836 HE22 GLN 105 HE22 GLN 105 -0.490 -1.951 9.665 837 H GLN 106 HN GLN 106 5.639 -5.698 8.190 838 HA GLN 106 HA GLN 106 7.656 -4.734 9.918 839 HB2 GLN 106 HB2 GLN 106 7.452 -7.430 8.564 840 HB3 GLN 106 HB1 GLN 106 8.469 -7.048 9.946 841 HG2 GLN 106 HG2 GLN 106 6.613 -6.779 11.368 842 HG3 GLN 106 HG1 GLN 106 5.486 -6.737 10.013 843 HE21 GLN 106 HE21 GLN 106 5.848 -8.495 12.461 844 HE22 GLN 106 HE22 GLN 106 5.774 -10.102 11.833 845 H ILE 107 HN ILE 107 7.730 -5.880 6.560 846 HA ILE 107 HA ILE 107 10.448 -5.883 6.130 847 HB ILE 107 HB ILE 107 8.068 -5.910 4.506 848 HG12 ILE 107 HG12 ILE 107 10.895 -6.826 3.984 849 HG13 ILE 107 HG11 ILE 107 9.668 -7.742 4.858 850 HG21 ILE 107 HG21 ILE 107 9.151 -5.077 2.407 851 HG22 ILE 107 HG22 ILE 107 10.385 -4.327 3.417 852 HG23 ILE 107 HG23 ILE 107 8.701 -3.823 3.560 853 HD11 ILE 107 HD11 ILE 107 8.301 -7.854 2.848 854 HD12 ILE 107 HD12 ILE 107 9.909 -8.521 2.562 855 HD13 ILE 107 HD13 ILE 107 9.504 -6.910 1.969 856 H ILE 108 HN ILE 108 8.217 -3.151 5.507 857 HA ILE 108 HA ILE 108 10.107 -1.318 4.665 858 HB ILE 108 HB ILE 108 7.816 -0.500 6.424 859 HG12 ILE 108 HG12 ILE 108 7.682 -1.170 3.476 860 HG13 ILE 108 HG11 ILE 108 7.007 -2.156 4.768 861 HG21 ILE 108 HG21 ILE 108 8.795 1.457 5.893 862 HG22 ILE 108 HG22 ILE 108 7.913 1.256 4.379 863 HG23 ILE 108 HG23 ILE 108 9.611 0.787 4.481 864 HD11 ILE 108 HD11 ILE 108 5.376 -0.566 5.277 865 HD12 ILE 108 HD12 ILE 108 5.409 -0.665 3.517 866 HD13 ILE 108 HD13 ILE 108 6.185 0.688 4.339 867 H SER 109 HN SER 109 8.878 -1.759 7.929 868 HA SER 109 HA SER 109 10.454 0.067 9.268 869 HB2 SER 109 HB2 SER 109 8.571 -1.704 10.026 870 HB3 SER 109 HB1 SER 109 10.008 -2.527 10.633 871 HG SER 109 HG SER 109 9.266 -1.153 12.227 872 H ARG 110 HN ARG 110 11.303 -3.023 7.945 873 HA ARG 110 HA ARG 110 13.848 -3.118 9.341 874 HB2 ARG 110 HB2 ARG 110 13.205 -5.290 9.121 875 HB3 ARG 110 HB1 ARG 110 12.235 -4.967 7.693 876 HG2 ARG 110 HG2 ARG 110 14.085 -6.468 7.198 877 HG3 ARG 110 HG1 ARG 110 14.239 -4.947 6.315 878 HD2 ARG 110 HD2 ARG 110 15.647 -4.304 8.484 879 HD3 ARG 110 HD1 ARG 110 15.892 -6.050 8.516 880 HE ARG 110 HE ARG 110 16.385 -4.900 5.939 881 HH11 ARG 110 HH11 ARG 110 17.782 -5.529 9.075 882 HH12 ARG 110 HH12 ARG 110 19.412 -5.516 8.490 883 HH21 ARG 110 HH21 ARG 110 18.528 -4.882 5.168 884 HH22 ARG 110 HH22 ARG 110 19.836 -5.148 6.272 885 H TYR 111 HN TYR 111 12.711 -2.951 5.966 886 HA TYR 111 HA TYR 111 15.231 -2.544 4.803 887 HB2 TYR 111 HB2 TYR 111 12.417 -2.007 3.935 888 HB3 TYR 111 HB1 TYR 111 13.746 -1.380 2.969 889 HD1 TYR 111 HD2 TYR 111 14.761 -4.395 4.512 890 HD2 TYR 111 HD1 TYR 111 12.426 -2.901 1.282 891 HE1 TYR 111 HE2 TYR 111 14.952 -6.565 3.376 892 HE2 TYR 111 HE1 TYR 111 12.612 -5.069 0.140 893 HH TYR 111 HH TYR 111 13.602 -7.860 1.640 894 H LYS 112 HN LYS 112 12.817 -0.213 5.941 895 HA LYS 112 HA LYS 112 13.931 2.150 5.074 896 HB2 LYS 112 HB2 LYS 112 12.463 1.481 7.616 897 HB3 LYS 112 HB1 LYS 112 12.949 3.125 7.233 898 HG2 LYS 112 HG2 LYS 112 10.987 1.377 5.784 899 HG3 LYS 112 HG1 LYS 112 10.704 2.929 6.569 900 HD2 LYS 112 HD2 LYS 112 10.823 3.657 4.418 901 HD3 LYS 112 HD1 LYS 112 12.546 3.697 4.800 902 HE2 LYS 112 HE2 LYS 112 12.546 1.254 3.950 903 HE3 LYS 112 HE1 LYS 112 11.010 1.685 3.198 904 HZ1 LYS 112 HZ1 LYS 112 12.029 3.246 1.835 905 HZ2 LYS 112 HZ2 LYS 112 13.133 1.965 1.837 906 HZ3 LYS 112 HZ3 LYS 112 13.426 3.334 2.787 907 H ASP 113 HN ASP 113 14.989 0.057 7.641 908 HA ASP 113 HA ASP 113 16.731 1.890 8.917 909 HB2 ASP 113 HB2 ASP 113 15.763 -0.509 9.623 910 HB3 ASP 113 HB1 ASP 113 17.348 -1.006 9.041 911 H ALA 114 HN ALA 114 16.937 0.434 5.910 912 HA ALA 114 HA ALA 114 19.837 0.911 5.842 913 HB1 ALA 114 HB1 ALA 114 18.830 -1.180 4.038 914 HB2 ALA 114 HB2 ALA 114 18.795 -1.577 5.756 915 HB3 ALA 114 HB3 ALA 114 20.315 -1.114 4.989 916 H ASP 115 HN ASP 115 16.906 0.491 3.870 917 HA ASP 115 HA ASP 115 17.896 1.565 1.491 918 HB2 ASP 115 HB2 ASP 115 15.740 0.326 1.739 919 HB3 ASP 115 HB1 ASP 115 15.052 1.756 2.504 920 H2 PRO 59 HT1 PRO 59 -29.614 7.600 4.189 921 H3 PRO 59 HT2 PRO 59 -28.430 8.742 4.250 922 HA PRO 59 HA PRO 59 -27.057 7.268 3.900 923 HB2 PRO 59 HB2 PRO 59 -27.375 5.640 6.280 924 HB3 PRO 59 HB1 PRO 59 -26.073 6.760 5.859 925 HG2 PRO 59 HG2 PRO 59 -27.883 7.259 7.829 926 HG3 PRO 59 HG1 PRO 59 -27.087 8.534 6.890 927 HD2 PRO 59 HD2 PRO 59 -29.836 7.370 6.556 928 HD3 PRO 59 HD1 PRO 59 -29.323 9.068 6.500 929 H GLY 60 HN GLY 60 -26.885 5.429 2.729 930 HA2 GLY 60 HA2 GLY 60 -28.920 3.336 3.109 931 HA3 GLY 60 HA1 GLY 60 -28.662 4.015 1.509 932 H GLU 61 HN GLU 61 -27.476 2.758 0.251 933 HA GLU 61 HA GLU 61 -25.452 1.026 1.501 934 HB2 GLU 61 HB2 GLU 61 -27.013 0.744 -1.066 935 HB3 GLU 61 HB1 GLU 61 -25.629 -0.268 -0.674 936 HG2 GLU 61 HG2 GLU 61 -26.785 -1.050 1.340 937 HG3 GLU 61 HG1 GLU 61 -28.177 -0.057 0.914 938 H GLU 62 HN GLU 62 -23.471 1.835 1.356 939 HA GLU 62 HA GLU 62 -22.196 2.335 -1.092 940 HB2 GLU 62 HB2 GLU 62 -23.560 4.378 -1.098 941 HB3 GLU 62 HB1 GLU 62 -22.906 4.824 0.472 942 HG2 GLU 62 HG2 GLU 62 -21.443 6.024 -0.702 943 HG3 GLU 62 HG1 GLU 62 -20.637 4.482 -0.984 944 H GLU 63 HN GLU 63 -20.101 1.960 -0.765 945 HA GLU 63 HA GLU 63 -19.062 2.226 1.974 946 HB2 GLU 63 HB2 GLU 63 -18.501 0.330 -0.250 947 HB3 GLU 63 HB1 GLU 63 -17.213 0.686 0.888 948 HG2 GLU 63 HG2 GLU 63 -18.606 -0.033 2.733 949 HG3 GLU 63 HG1 GLU 63 -19.939 -0.349 1.623 950 H ASP 64 HN ASP 64 -18.711 3.351 -1.259 951 HA ASP 64 HA ASP 64 -16.009 4.235 -1.047 952 HB2 ASP 64 HB2 ASP 64 -17.519 3.858 -3.165 953 HB3 ASP 64 HB1 ASP 64 -17.980 5.535 -2.890 954 H ASP 65 HN ASP 65 -17.258 5.007 1.278 955 HA ASP 65 HA ASP 65 -16.612 7.734 1.427 956 HB2 ASP 65 HB2 ASP 65 -18.930 7.655 0.183 957 HB3 ASP 65 HB1 ASP 65 -19.562 7.408 1.808 958 H GLU 66 HN GLU 66 -15.525 7.172 3.258 959 HA GLU 66 HA GLU 66 -15.137 6.501 5.407 960 HB2 GLU 66 HB2 GLU 66 -16.525 7.589 7.052 961 HB3 GLU 66 HB1 GLU 66 -16.292 8.676 5.690 962 HG2 GLU 66 HG2 GLU 66 -18.486 8.380 4.932 963 HG3 GLU 66 HG1 GLU 66 -18.724 6.942 5.923 964 H ARG 67 HN ARG 67 -16.269 4.429 3.866 965 HA ARG 67 HA ARG 67 -17.276 2.784 5.978 966 HB2 ARG 67 HB2 ARG 67 -18.999 3.406 3.577 967 HB3 ARG 67 HB1 ARG 67 -19.276 2.029 4.634 968 HG2 ARG 67 HG2 ARG 67 -19.344 4.925 5.457 969 HG3 ARG 67 HG1 ARG 67 -20.743 3.888 5.185 970 HD2 ARG 67 HD2 ARG 67 -18.951 2.606 7.012 971 HD3 ARG 67 HD1 ARG 67 -19.280 4.246 7.569 972 HE ARG 67 HE ARG 67 -21.658 2.869 6.796 973 HH11 ARG 67 HH11 ARG 67 -19.350 3.253 9.385 974 HH12 ARG 67 HH12 ARG 67 -20.472 2.794 10.621 975 HH21 ARG 67 HH21 ARG 67 -23.136 2.265 8.420 976 HH22 ARG 67 HH22 ARG 67 -22.621 2.233 10.074 977 H GLY 68 HN GLY 68 -15.425 1.595 5.621 978 HA2 GLY 68 HA2 GLY 68 -14.593 -0.445 4.771 979 HA3 GLY 68 HA1 GLY 68 -15.556 -0.206 3.321 980 H ALA 69 HN ALA 69 -14.068 2.662 4.075 981 HA ALA 69 HA ALA 69 -11.492 2.143 2.899 982 HB1 ALA 69 HB1 ALA 69 -11.770 2.998 0.827 983 HB2 ALA 69 HB2 ALA 69 -12.969 4.177 1.360 984 HB3 ALA 69 HB3 ALA 69 -13.444 2.502 1.078 985 H ASP 70 HN ASP 70 -11.952 3.050 5.379 986 HA ASP 70 HA ASP 70 -10.713 5.619 5.361 987 HB2 ASP 70 HB2 ASP 70 -13.367 5.818 5.039 988 HB3 ASP 70 HB1 ASP 70 -13.306 5.746 6.797 989 H ALA 71 HN ALA 71 -9.712 3.413 6.472 990 HA ALA 71 HA ALA 71 -9.571 4.121 9.256 991 HB1 ALA 71 HB1 ALA 71 -11.557 2.637 9.201 992 HB2 ALA 71 HB2 ALA 71 -10.247 2.012 10.207 993 HB3 ALA 71 HB3 ALA 71 -10.530 1.340 8.594 994 H THR 72 HN THR 72 -7.725 4.071 7.080 995 HA THR 72 HA THR 72 -5.823 2.059 8.082 996 HB THR 72 HB THR 72 -4.908 2.553 5.570 997 HG1 THR 72 HG1 THR 72 -6.747 2.369 4.235 998 HG21 THR 72 HG21 THR 72 -6.438 0.425 5.038 999 HG22 THR 72 HG22 THR 72 -6.459 0.392 6.800 1000 HG23 THR 72 HG23 THR 72 -4.923 0.346 5.937 1001 H TRP 73 HN TRP 73 -6.453 5.351 7.566 1002 HA TRP 73 HA TRP 73 -3.644 6.077 7.368 1003 HB2 TRP 73 HB2 TRP 73 -5.732 8.161 7.739 1004 HB3 TRP 73 HB1 TRP 73 -4.314 8.162 6.700 1005 HD1 TRP 73 HD1 TRP 73 -7.476 8.830 5.939 1006 HE1 TRP 73 HE1 TRP 73 -8.437 7.680 3.848 1007 HE3 TRP 73 HE3 TRP 73 -4.170 4.987 5.553 1008 HZ2 TRP 73 HZ2 TRP 73 -7.850 5.422 2.247 1009 HZ3 TRP 73 HZ3 TRP 73 -4.424 3.371 3.720 1010 HH2 TRP 73 HH2 TRP 73 -6.226 3.588 2.110 1011 H ASP 74 HN ASP 74 -4.589 4.783 9.834 1012 HA ASP 74 HA ASP 74 -3.483 6.717 11.662 1013 HB2 ASP 74 HB2 ASP 74 -6.104 6.988 11.450 1014 HB3 ASP 74 HB1 ASP 74 -6.112 5.613 12.551 1015 H LEU 75 HN LEU 75 -3.256 3.785 10.628 1016 HA LEU 75 HA LEU 75 -2.646 2.691 13.279 1017 HB2 LEU 75 HB2 LEU 75 -3.184 0.406 12.324 1018 HB3 LEU 75 HB1 LEU 75 -4.537 1.441 12.730 1019 HG LEU 75 HG LEU 75 -4.879 0.218 10.625 1020 HD11 LEU 75 HD11 LEU 75 -5.400 2.859 11.145 1021 HD12 LEU 75 HD12 LEU 75 -6.082 1.914 9.824 1022 HD13 LEU 75 HD13 LEU 75 -4.647 2.901 9.554 1023 HD21 LEU 75 HD21 LEU 75 -3.606 0.903 8.624 1024 HD22 LEU 75 HD22 LEU 75 -2.616 0.053 9.817 1025 HD23 LEU 75 HD23 LEU 75 -2.514 1.810 9.668 1026 H ASP 76 HN ASP 76 -1.419 3.756 10.485 1027 HA ASP 76 HA ASP 76 0.823 1.889 10.623 1028 HB2 ASP 76 HB2 ASP 76 -0.781 2.091 8.475 1029 HB3 ASP 76 HB1 ASP 76 0.387 3.352 8.087 1030 H LEU 77 HN LEU 77 2.337 3.540 8.684 1031 HA LEU 77 HA LEU 77 3.862 5.213 8.711 1032 HB2 LEU 77 HB2 LEU 77 1.401 6.447 9.831 1033 HB3 LEU 77 HB1 LEU 77 2.901 7.353 9.974 1034 HG LEU 77 HG LEU 77 3.007 6.639 7.362 1035 HD11 LEU 77 HD11 LEU 77 1.035 5.783 6.765 1036 HD12 LEU 77 HD12 LEU 77 0.472 7.454 6.809 1037 HD13 LEU 77 HD13 LEU 77 0.217 6.402 8.201 1038 HD21 LEU 77 HD21 LEU 77 3.332 8.879 8.335 1039 HD22 LEU 77 HD22 LEU 77 1.582 9.065 8.446 1040 HD23 LEU 77 HD23 LEU 77 2.355 8.913 6.868 1041 H LEU 78 HN LEU 78 5.109 3.791 10.116 1042 HA LEU 78 HA LEU 78 6.323 5.133 12.223 1043 HB2 LEU 78 HB2 LEU 78 5.587 3.616 14.111 1044 HB3 LEU 78 HB1 LEU 78 4.433 4.830 13.595 1045 HG LEU 78 HG LEU 78 3.453 2.916 12.126 1046 HD11 LEU 78 HD11 LEU 78 3.706 0.710 13.326 1047 HD12 LEU 78 HD12 LEU 78 5.101 1.415 14.143 1048 HD13 LEU 78 HD13 LEU 78 5.101 1.244 12.388 1049 HD21 LEU 78 HD21 LEU 78 2.710 4.043 14.447 1050 HD22 LEU 78 HD22 LEU 78 2.910 2.372 14.974 1051 HD23 LEU 78 HD23 LEU 78 1.801 2.755 13.657 1052 H LEU 79 HN LEU 79 7.094 3.682 9.976 1053 HA LEU 79 HA LEU 79 8.111 1.119 10.907 1054 HB2 LEU 79 HB2 LEU 79 8.675 2.369 8.236 1055 HB3 LEU 79 HB1 LEU 79 8.672 0.670 8.666 1056 HG LEU 79 HG LEU 79 6.082 2.043 8.986 1057 HD11 LEU 79 HD11 LEU 79 6.531 1.267 6.210 1058 HD12 LEU 79 HD12 LEU 79 7.451 2.686 6.708 1059 HD13 LEU 79 HD13 LEU 79 5.696 2.668 6.877 1060 HD21 LEU 79 HD21 LEU 79 5.746 -0.166 9.261 1061 HD22 LEU 79 HD22 LEU 79 7.160 -0.609 8.304 1062 HD23 LEU 79 HD23 LEU 79 5.655 -0.165 7.500 1063 H THR 80 HN THR 80 9.726 1.518 12.353 1064 HA THR 80 HA THR 80 11.690 2.310 13.227 1065 HB THR 80 HB THR 80 12.355 0.475 11.674 1066 HG1 THR 80 HG1 THR 80 14.503 0.953 11.825 1067 HG21 THR 80 HG21 THR 80 13.054 2.713 9.789 1068 HG22 THR 80 HG22 THR 80 11.827 1.474 9.529 1069 HG23 THR 80 HG23 THR 80 13.530 1.024 9.609 1070 H ASN 81 HN ASN 81 10.060 4.421 12.213 1071 HA ASN 81 HA ASN 81 11.986 6.270 11.008 1072 HB2 ASN 81 HB2 ASN 81 9.017 6.145 11.171 1073 HB3 ASN 81 HB1 ASN 81 9.756 7.742 11.111 1074 HD21 ASN 81 HD21 ASN 81 10.651 8.460 9.242 1075 HD22 ASN 81 HD22 ASN 81 10.577 7.596 7.748 1076 H PHE 82 HN PHE 82 9.863 5.938 13.823 1077 HA PHE 82 HA PHE 82 11.134 8.278 15.047 1078 HB2 PHE 82 HB2 PHE 82 8.560 7.857 14.946 1079 HB3 PHE 82 HB1 PHE 82 8.864 6.756 16.286 1080 HD1 PHE 82 HD2 PHE 82 10.550 7.903 18.107 1081 HD2 PHE 82 HD1 PHE 82 7.814 9.927 15.553 1082 HE1 PHE 82 HE2 PHE 82 10.489 9.795 19.679 1083 HE2 PHE 82 HE1 PHE 82 7.748 11.823 17.120 1084 HZ PHE 82 HZ PHE 82 9.086 11.758 19.186 1085 H SER 83 HN SER 83 10.148 4.988 16.017 1086 HA SER 83 HA SER 83 12.632 4.777 17.561 1087 HB2 SER 83 HB2 SER 83 9.853 4.630 18.596 1088 HB3 SER 83 HB1 SER 83 10.991 3.433 19.215 1089 HG SER 83 HG SER 83 11.343 6.251 19.246 1090 H GLY 84 HN GLY 84 13.663 2.902 17.257 1091 HA2 GLY 84 HA2 GLY 84 12.994 0.367 17.215 1092 HA3 GLY 84 HA1 GLY 84 12.307 0.846 15.671 1093 HA PRO 85 HA PRO 85 17.167 1.088 15.433 1094 HB2 PRO 85 HB2 PRO 85 18.421 -0.740 16.998 1095 HB3 PRO 85 HB1 PRO 85 18.094 0.914 17.530 1096 HG2 PRO 85 HG2 PRO 85 16.585 -1.602 18.127 1097 HG3 PRO 85 HG1 PRO 85 17.028 -0.277 19.220 1098 HD2 PRO 85 HD2 PRO 85 14.552 -0.517 18.151 1099 HD3 PRO 85 HD1 PRO 85 15.287 1.058 18.511 Start of MODEL 14 1 H2 PRO 1 HT1 PRO 1 1.272 -14.050 7.592 2 H3 PRO 1 HT2 PRO 1 2.702 -13.832 8.374 3 HA PRO 1 HA PRO 1 3.435 -14.524 6.538 4 HB2 PRO 1 HB2 PRO 1 3.456 -17.249 6.975 5 HB3 PRO 1 HB1 PRO 1 4.549 -16.092 7.745 6 HG2 PRO 1 HG2 PRO 1 2.488 -17.621 8.989 7 HG3 PRO 1 HG1 PRO 1 3.519 -16.390 9.733 8 HD2 PRO 1 HD2 PRO 1 0.749 -16.139 8.648 9 HD3 PRO 1 HD1 PRO 1 1.517 -15.272 9.994 10 H SER 2 HN SER 2 0.610 -14.181 6.135 11 HA SER 2 HA SER 2 -0.380 -16.467 4.696 12 HB2 SER 2 HB2 SER 2 -1.401 -13.756 5.379 13 HB3 SER 2 HB1 SER 2 -2.091 -14.543 3.959 14 HG SER 2 HG SER 2 -2.418 -16.399 5.413 15 H HIS 3 HN HIS 3 0.684 -13.190 3.812 16 HA HIS 3 HA HIS 3 1.537 -12.336 1.891 17 HB2 HIS 3 HB2 HIS 3 2.065 -15.246 1.296 18 HB3 HIS 3 HB1 HIS 3 2.640 -13.921 0.291 19 HD1 HIS 3 HD1 HIS 3 2.743 -14.322 4.075 20 HD2 HIS 3 HD2 HIS 3 5.285 -13.763 0.836 21 HE1 HIS 3 HE1 HIS 3 5.040 -14.050 5.062 22 HE2 HIS 3 HE2 HIS 3 6.573 -13.800 3.078 23 H SER 4 HN SER 4 0.212 -15.314 0.559 24 HA SER 4 HA SER 4 -1.073 -13.926 -1.554 25 HB2 SER 4 HB2 SER 4 -2.044 -16.053 -2.190 26 HB3 SER 4 HB1 SER 4 -0.345 -16.284 -1.768 27 HG SER 4 HG SER 4 -2.652 -17.061 -0.369 28 H GLY 5 HN GLY 5 -3.026 -13.116 -1.724 29 HA2 GLY 5 HA2 GLY 5 -5.223 -13.910 -0.051 30 HA3 GLY 5 HA1 GLY 5 -4.580 -12.323 0.360 31 H ALA 6 HN ALA 6 -7.041 -12.077 -0.367 32 HA ALA 6 HA ALA 6 -7.035 -11.576 -3.263 33 HB1 ALA 6 HB1 ALA 6 -9.528 -11.453 -3.012 34 HB2 ALA 6 HB2 ALA 6 -9.315 -12.022 -1.355 35 HB3 ALA 6 HB3 ALA 6 -8.810 -13.036 -2.709 36 H ALA 7 HN ALA 7 -7.462 -9.616 -4.088 37 HA ALA 7 HA ALA 7 -8.259 -7.423 -2.367 38 HB1 ALA 7 HB1 ALA 7 -6.362 -6.114 -2.572 39 HB2 ALA 7 HB2 ALA 7 -5.765 -7.021 -3.961 40 HB3 ALA 7 HB3 ALA 7 -5.683 -7.726 -2.346 41 H ILE 8 HN ILE 8 -8.760 -5.451 -3.587 42 HA ILE 8 HA ILE 8 -9.192 -5.992 -6.444 43 HB ILE 8 HB ILE 8 -11.222 -4.768 -4.579 44 HG12 ILE 8 HG12 ILE 8 -11.796 -7.177 -6.204 45 HG13 ILE 8 HG11 ILE 8 -10.708 -7.393 -4.835 46 HG21 ILE 8 HG21 ILE 8 -12.565 -5.183 -6.852 47 HG22 ILE 8 HG22 ILE 8 -10.960 -4.896 -7.524 48 HG23 ILE 8 HG23 ILE 8 -11.723 -3.670 -6.509 49 HD11 ILE 8 HD11 ILE 8 -12.619 -6.055 -3.588 50 HD12 ILE 8 HD12 ILE 8 -12.681 -7.805 -3.805 51 HD13 ILE 8 HD13 ILE 8 -13.594 -6.749 -4.884 52 H PHE 9 HN PHE 9 -9.086 -4.287 -7.818 53 HA PHE 9 HA PHE 9 -8.665 -1.605 -6.767 54 HB2 PHE 9 HB2 PHE 9 -6.411 -2.529 -6.813 55 HB3 PHE 9 HB1 PHE 9 -6.627 -3.037 -8.485 56 HD1 PHE 9 HD1 PHE 9 -6.876 -1.319 -10.257 57 HD2 PHE 9 HD2 PHE 9 -5.741 -0.337 -6.278 58 HE1 PHE 9 HE1 PHE 9 -6.011 0.852 -11.042 59 HE2 PHE 9 HE2 PHE 9 -4.878 1.834 -7.048 60 HZ PHE 9 HZ PHE 9 -5.012 2.431 -9.436 61 H GLU 10 HN GLU 10 -9.190 0.018 -8.222 62 HA GLU 10 HA GLU 10 -10.459 0.929 -9.875 63 HB2 GLU 10 HB2 GLU 10 -8.339 -0.644 -11.155 64 HB3 GLU 10 HB1 GLU 10 -9.698 -0.277 -12.208 65 HG2 GLU 10 HG2 GLU 10 -9.460 2.095 -11.686 66 HG3 GLU 10 HG1 GLU 10 -8.081 1.722 -10.651 67 H LYS 11 HN LYS 11 -11.681 -1.264 -8.541 68 HA LYS 11 HA LYS 11 -13.614 -2.449 -8.673 69 HB2 LYS 11 HB2 LYS 11 -14.041 -1.774 -11.546 70 HB3 LYS 11 HB1 LYS 11 -15.203 -1.858 -10.230 71 HG2 LYS 11 HG2 LYS 11 -13.955 0.240 -9.339 72 HG3 LYS 11 HG1 LYS 11 -13.376 0.376 -11.001 73 HD2 LYS 11 HD2 LYS 11 -15.687 0.388 -11.805 74 HD3 LYS 11 HD1 LYS 11 -16.268 0.240 -10.146 75 HE2 LYS 11 HE2 LYS 11 -15.790 2.406 -9.640 76 HE3 LYS 11 HE1 LYS 11 -14.411 2.471 -10.736 77 HZ1 LYS 11 HZ1 LYS 11 -16.296 3.852 -11.460 78 HZ2 LYS 11 HZ2 LYS 11 -17.249 2.462 -11.607 79 HZ3 LYS 11 HZ3 LYS 11 -15.891 2.664 -12.595 80 H VAL 12 HN VAL 12 -10.903 -3.420 -9.790 81 HA VAL 12 HA VAL 12 -12.004 -5.749 -11.231 82 HB VAL 12 HB VAL 12 -9.138 -4.845 -11.436 83 HG11 VAL 12 HG11 VAL 12 -9.374 -7.084 -12.116 84 HG12 VAL 12 HG12 VAL 12 -9.367 -6.149 -13.612 85 HG13 VAL 12 HG13 VAL 12 -10.889 -6.755 -12.958 86 HG21 VAL 12 HG21 VAL 12 -11.517 -3.963 -13.037 87 HG22 VAL 12 HG22 VAL 12 -9.897 -3.983 -13.735 88 HG23 VAL 12 HG23 VAL 12 -10.236 -2.983 -12.322 89 H SER 13 HN SER 13 -11.955 -7.558 -10.062 90 HA SER 13 HA SER 13 -10.352 -7.645 -7.664 91 HB2 SER 13 HB2 SER 13 -11.506 -9.789 -7.226 92 HB3 SER 13 HB1 SER 13 -12.632 -8.467 -7.532 93 HG SER 13 HG SER 13 -13.352 -10.116 -8.773 94 H GLY 14 HN GLY 14 -8.931 -9.264 -7.092 95 HA2 GLY 14 HA2 GLY 14 -7.932 -11.203 -8.937 96 HA3 GLY 14 HA1 GLY 14 -6.879 -9.796 -8.830 97 H ILE 15 HN ILE 15 -5.552 -11.845 -8.069 98 HA ILE 15 HA ILE 15 -5.903 -12.112 -5.158 99 HB ILE 15 HB ILE 15 -4.039 -13.854 -6.737 100 HG12 ILE 15 HG12 ILE 15 -6.216 -15.443 -6.542 101 HG13 ILE 15 HG11 ILE 15 -7.004 -13.887 -6.785 102 HG21 ILE 15 HG21 ILE 15 -4.885 -15.468 -4.895 103 HG22 ILE 15 HG22 ILE 15 -5.469 -14.002 -4.108 104 HG23 ILE 15 HG23 ILE 15 -3.747 -14.194 -4.454 105 HD11 ILE 15 HD11 ILE 15 -6.439 -13.817 -8.939 106 HD12 ILE 15 HD12 ILE 15 -6.120 -15.542 -8.758 107 HD13 ILE 15 HD13 ILE 15 -4.798 -14.382 -8.626 108 H ILE 16 HN ILE 16 -4.375 -11.440 -3.813 109 HA ILE 16 HA ILE 16 -2.094 -10.010 -4.968 110 HB ILE 16 HB ILE 16 -3.603 -8.651 -3.662 111 HG12 ILE 16 HG12 ILE 16 -1.304 -8.994 -1.785 112 HG13 ILE 16 HG11 ILE 16 -0.992 -8.491 -3.446 113 HG21 ILE 16 HG21 ILE 16 -3.172 -10.688 -1.500 114 HG22 ILE 16 HG22 ILE 16 -4.686 -10.210 -2.269 115 HG23 ILE 16 HG23 ILE 16 -3.845 -9.087 -1.199 116 HD11 ILE 16 HD11 ILE 16 -2.975 -6.798 -2.816 117 HD12 ILE 16 HD12 ILE 16 -1.262 -6.440 -2.571 118 HD13 ILE 16 HD13 ILE 16 -2.242 -7.026 -1.224 119 H ALA 17 HN ALA 17 -0.081 -10.837 -4.686 120 HA ALA 17 HA ALA 17 0.394 -12.623 -2.393 121 HB1 ALA 17 HB1 ALA 17 1.431 -14.272 -3.725 122 HB2 ALA 17 HB2 ALA 17 1.424 -13.227 -5.148 123 HB3 ALA 17 HB3 ALA 17 -0.093 -13.880 -4.524 124 H ILE 18 HN ILE 18 2.341 -12.476 -1.426 125 HA ILE 18 HA ILE 18 4.154 -10.368 -2.336 126 HB ILE 18 HB ILE 18 4.207 -11.959 0.233 127 HG12 ILE 18 HG12 ILE 18 3.405 -9.080 0.027 128 HG13 ILE 18 HG11 ILE 18 2.219 -10.339 -0.308 129 HG21 ILE 18 HG21 ILE 18 6.381 -11.141 -0.145 130 HG22 ILE 18 HG22 ILE 18 5.638 -9.993 0.968 131 HG23 ILE 18 HG23 ILE 18 5.782 -9.594 -0.744 132 HD11 ILE 18 HD11 ILE 18 3.474 -9.538 2.239 133 HD12 ILE 18 HD12 ILE 18 3.139 -11.253 2.012 134 HD13 ILE 18 HD13 ILE 18 1.829 -10.076 1.899 135 H ASN 19 HN ASN 19 6.305 -10.709 -2.794 136 HA ASN 19 HA ASN 19 7.171 -13.515 -3.083 137 HB2 ASN 19 HB2 ASN 19 7.713 -11.166 -4.903 138 HB3 ASN 19 HB1 ASN 19 8.501 -12.734 -5.048 139 HD21 ASN 19 HD21 ASN 19 7.247 -11.923 -7.203 140 HD22 ASN 19 HD22 ASN 19 5.749 -12.751 -7.434 141 H GLU 20 HN GLU 20 8.644 -13.935 -1.620 142 HA GLU 20 HA GLU 20 10.628 -11.865 -0.980 143 HB2 GLU 20 HB2 GLU 20 11.052 -13.298 1.078 144 HB3 GLU 20 HB1 GLU 20 9.505 -12.464 1.023 145 HG2 GLU 20 HG2 GLU 20 8.336 -14.439 0.524 146 HG3 GLU 20 HG1 GLU 20 9.817 -15.307 0.122 147 H ASP 21 HN ASP 21 10.610 -13.620 -3.270 148 HA ASP 21 HA ASP 21 12.902 -15.375 -2.742 149 HB2 ASP 21 HB2 ASP 21 11.006 -15.209 -5.092 150 HB3 ASP 21 HB1 ASP 21 12.413 -16.266 -5.041 151 H VAL 22 HN VAL 22 11.982 -12.425 -4.273 152 HA VAL 22 HA VAL 22 14.544 -12.295 -5.714 153 HB VAL 22 HB VAL 22 13.182 -9.949 -6.309 154 HG11 VAL 22 HG11 VAL 22 13.339 -10.674 -8.465 155 HG12 VAL 22 HG12 VAL 22 12.814 -12.311 -8.072 156 HG13 VAL 22 HG13 VAL 22 14.458 -11.797 -7.693 157 HG21 VAL 22 HG21 VAL 22 11.213 -12.235 -6.295 158 HG22 VAL 22 HG22 VAL 22 10.952 -10.656 -7.035 159 HG23 VAL 22 HG23 VAL 22 11.138 -10.791 -5.286 160 H SER 23 HN SER 23 15.660 -10.118 -5.670 161 HA SER 23 HA SER 23 16.504 -9.476 -3.133 162 HB2 SER 23 HB2 SER 23 16.794 -7.080 -4.534 163 HB3 SER 23 HB1 SER 23 17.972 -8.388 -4.432 164 HG SER 23 HG SER 23 17.689 -8.490 -6.513 165 HA PRO 24 HA PRO 24 13.470 -5.868 -2.648 166 HB2 PRO 24 HB2 PRO 24 11.950 -4.994 -4.665 167 HB3 PRO 24 HB1 PRO 24 13.647 -4.506 -4.523 168 HG2 PRO 24 HG2 PRO 24 12.420 -6.592 -6.284 169 HG3 PRO 24 HG1 PRO 24 13.683 -5.409 -6.667 170 HD2 PRO 24 HD2 PRO 24 14.176 -8.041 -6.038 171 HD3 PRO 24 HD1 PRO 24 15.340 -6.724 -5.803 172 H ALA 25 HN ALA 25 12.485 -7.682 -1.526 173 HA ALA 25 HA ALA 25 10.619 -9.454 -2.397 174 HB1 ALA 25 HB1 ALA 25 9.951 -9.757 -0.227 175 HB2 ALA 25 HB2 ALA 25 10.012 -8.035 0.150 176 HB3 ALA 25 HB3 ALA 25 11.507 -8.963 0.016 177 H GLU 26 HN GLU 26 9.237 -8.871 -3.929 178 HA GLU 26 HA GLU 26 7.427 -6.625 -3.377 179 HB2 GLU 26 HB2 GLU 26 7.119 -6.675 -5.923 180 HB3 GLU 26 HB1 GLU 26 8.629 -6.031 -5.269 181 HG2 GLU 26 HG2 GLU 26 9.722 -8.174 -5.729 182 HG3 GLU 26 HG1 GLU 26 8.214 -8.800 -6.393 183 H LEU 27 HN LEU 27 5.271 -6.831 -4.601 184 HA LEU 27 HA LEU 27 4.304 -9.575 -4.533 185 HB2 LEU 27 HB2 LEU 27 2.352 -8.936 -3.277 186 HB3 LEU 27 HB1 LEU 27 3.778 -8.451 -2.382 187 HG LEU 27 HG LEU 27 3.329 -6.153 -3.658 188 HD11 LEU 27 HD11 LEU 27 0.697 -5.963 -3.382 189 HD12 LEU 27 HD12 LEU 27 0.787 -7.670 -3.817 190 HD13 LEU 27 HD13 LEU 27 1.449 -6.448 -4.902 191 HD21 LEU 27 HD21 LEU 27 2.390 -7.277 -1.092 192 HD22 LEU 27 HD22 LEU 27 1.671 -5.748 -1.598 193 HD23 LEU 27 HD23 LEU 27 3.420 -5.882 -1.414 194 H THR 28 HN THR 28 2.769 -10.052 -6.081 195 HA THR 28 HA THR 28 1.983 -7.779 -7.760 196 HB THR 28 HB THR 28 2.697 -10.556 -8.644 197 HG1 THR 28 HG1 THR 28 4.422 -9.074 -8.293 198 HG21 THR 28 HG21 THR 28 0.765 -9.668 -9.922 199 HG22 THR 28 HG22 THR 28 2.212 -9.958 -10.888 200 HG23 THR 28 HG23 THR 28 1.787 -8.315 -10.408 201 H TRP 29 HN TRP 29 0.004 -7.766 -8.684 202 HA TRP 29 HA TRP 29 -1.968 -9.508 -7.366 203 HB2 TRP 29 HB2 TRP 29 -2.021 -7.185 -6.627 204 HB3 TRP 29 HB1 TRP 29 -2.188 -6.643 -8.292 205 HD1 TRP 29 HD1 TRP 29 -4.157 -8.145 -5.419 206 HE1 TRP 29 HE1 TRP 29 -6.658 -7.992 -5.969 207 HE3 TRP 29 HE3 TRP 29 -3.810 -6.642 -10.299 208 HZ2 TRP 29 HZ2 TRP 29 -8.278 -7.320 -8.174 209 HZ3 TRP 29 HZ3 TRP 29 -5.906 -6.275 -11.554 210 HH2 TRP 29 HH2 TRP 29 -8.084 -6.608 -10.515 211 H ARG 30 HN ARG 30 -2.716 -10.980 -8.782 212 HA ARG 30 HA ARG 30 -3.106 -10.171 -11.581 213 HB2 ARG 30 HB2 ARG 30 -1.681 -12.189 -11.035 214 HB3 ARG 30 HB1 ARG 30 -3.148 -12.978 -10.474 215 HG2 ARG 30 HG2 ARG 30 -4.039 -12.338 -12.850 216 HG3 ARG 30 HG1 ARG 30 -2.320 -12.257 -13.240 217 HD2 ARG 30 HD2 ARG 30 -2.452 -14.604 -11.872 218 HD3 ARG 30 HD1 ARG 30 -4.025 -14.579 -12.668 219 HE ARG 30 HE ARG 30 -2.321 -13.968 -14.672 220 HH11 ARG 30 HH11 ARG 30 -2.401 -16.549 -12.324 221 HH12 ARG 30 HH12 ARG 30 -1.623 -17.691 -13.367 222 HH21 ARG 30 HH21 ARG 30 -1.298 -15.469 -16.046 223 HH22 ARG 30 HH22 ARG 30 -0.996 -17.079 -15.480 224 H SER 31 HN SER 31 -5.116 -9.787 -12.291 225 HA SER 31 HA SER 31 -7.377 -9.872 -10.695 226 HB2 SER 31 HB2 SER 31 -8.644 -9.817 -12.920 227 HB3 SER 31 HB1 SER 31 -7.486 -8.521 -12.625 228 HG SER 31 HG SER 31 -7.462 -10.508 -14.515 229 H THR 32 HN THR 32 -9.176 -11.250 -10.577 230 HA THR 32 HA THR 32 -8.631 -13.974 -10.419 231 HB THR 32 HB THR 32 -11.351 -13.931 -10.680 232 HG1 THR 32 HG1 THR 32 -11.570 -11.780 -11.030 233 HG21 THR 32 HG21 THR 32 -11.045 -13.042 -8.106 234 HG22 THR 32 HG22 THR 32 -9.480 -13.773 -8.465 235 HG23 THR 32 HG23 THR 32 -10.957 -14.720 -8.643 236 H ASP 33 HN ASP 33 -9.799 -12.063 -13.065 237 HA ASP 33 HA ASP 33 -10.589 -14.308 -14.657 238 HB2 ASP 33 HB2 ASP 33 -10.522 -11.360 -15.009 239 HB3 ASP 33 HB1 ASP 33 -10.490 -12.345 -16.468 240 H GLY 34 HN GLY 34 -7.730 -12.426 -14.189 241 HA2 GLY 34 HA2 GLY 34 -5.561 -13.089 -14.781 242 HA3 GLY 34 HA1 GLY 34 -6.249 -14.252 -15.905 243 H ASP 35 HN ASP 35 -7.744 -11.278 -16.282 244 HA ASP 35 HA ASP 35 -6.409 -10.857 -18.784 245 HB2 ASP 35 HB2 ASP 35 -8.090 -9.002 -19.040 246 HB3 ASP 35 HB1 ASP 35 -8.784 -10.604 -18.807 247 H LYS 36 HN LYS 36 -6.099 -9.666 -15.603 248 HA LYS 36 HA LYS 36 -4.141 -7.725 -16.519 249 HB2 LYS 36 HB2 LYS 36 -5.006 -5.899 -15.312 250 HB3 LYS 36 HB1 LYS 36 -6.354 -6.563 -16.219 251 HG2 LYS 36 HG2 LYS 36 -7.329 -7.489 -14.300 252 HG3 LYS 36 HG1 LYS 36 -5.854 -7.279 -13.351 253 HD2 LYS 36 HD2 LYS 36 -7.537 -5.046 -14.470 254 HD3 LYS 36 HD1 LYS 36 -7.575 -5.606 -12.797 255 HE2 LYS 36 HE2 LYS 36 -6.031 -4.024 -12.436 256 HE3 LYS 36 HE1 LYS 36 -4.911 -5.162 -13.184 257 HZ1 LYS 36 HZ1 LYS 36 -5.256 -2.668 -14.031 258 HZ2 LYS 36 HZ2 LYS 36 -6.389 -3.455 -15.010 259 HZ3 LYS 36 HZ3 LYS 36 -4.767 -3.931 -15.045 260 H VAL 37 HN VAL 37 -2.490 -7.339 -15.095 261 HA VAL 37 HA VAL 37 -2.589 -8.529 -12.446 262 HB VAL 37 HB VAL 37 -1.729 -10.390 -13.634 263 HG11 VAL 37 HG11 VAL 37 0.110 -8.452 -15.025 264 HG12 VAL 37 HG12 VAL 37 -1.221 -9.363 -15.740 265 HG13 VAL 37 HG13 VAL 37 0.217 -10.207 -15.162 266 HG21 VAL 37 HG21 VAL 37 0.637 -8.891 -12.509 267 HG22 VAL 37 HG22 VAL 37 0.537 -10.633 -12.770 268 HG23 VAL 37 HG23 VAL 37 -0.508 -9.858 -11.579 269 H HIS 38 HN HIS 38 -1.862 -7.020 -11.083 270 HA HIS 38 HA HIS 38 0.082 -5.062 -12.095 271 HB2 HIS 38 HB2 HIS 38 -2.265 -4.420 -11.120 272 HB3 HIS 38 HB1 HIS 38 -1.473 -4.661 -9.566 273 HD1 HIS 38 HD1 HIS 38 -1.864 -2.068 -9.182 274 HD2 HIS 38 HD2 HIS 38 0.770 -3.044 -12.244 275 HE1 HIS 38 HE1 HIS 38 -0.611 0.052 -9.692 276 HE2 HIS 38 HE2 HIS 38 0.917 -0.542 -11.605 277 H THR 39 HN THR 39 2.058 -5.574 -11.578 278 HA THR 39 HA THR 39 2.737 -7.012 -9.118 279 HB THR 39 HB THR 39 4.386 -6.043 -11.474 280 HG1 THR 39 HG1 THR 39 4.211 -8.034 -12.191 281 HG21 THR 39 HG21 THR 39 6.214 -6.297 -10.260 282 HG22 THR 39 HG22 THR 39 5.818 -8.011 -10.133 283 HG23 THR 39 HG23 THR 39 5.289 -6.888 -8.880 284 H VAL 40 HN VAL 40 2.765 -5.728 -7.347 285 HA VAL 40 HA VAL 40 3.834 -3.007 -7.564 286 HB VAL 40 HB VAL 40 2.501 -4.294 -5.177 287 HG11 VAL 40 HG11 VAL 40 2.749 -2.346 -4.083 288 HG12 VAL 40 HG12 VAL 40 2.450 -1.379 -5.528 289 HG13 VAL 40 HG13 VAL 40 4.051 -2.064 -5.241 290 HG21 VAL 40 HG21 VAL 40 1.027 -2.247 -6.676 291 HG22 VAL 40 HG22 VAL 40 0.463 -3.757 -5.960 292 HG23 VAL 40 HG23 VAL 40 1.251 -3.769 -7.537 293 H VAL 41 HN VAL 41 5.983 -2.866 -7.283 294 HA VAL 41 HA VAL 41 7.364 -4.860 -5.760 295 HB VAL 41 HB VAL 41 8.665 -2.361 -6.779 296 HG11 VAL 41 HG11 VAL 41 9.675 -4.358 -5.267 297 HG12 VAL 41 HG12 VAL 41 10.631 -3.433 -6.427 298 HG13 VAL 41 HG13 VAL 41 9.978 -5.006 -6.879 299 HG21 VAL 41 HG21 VAL 41 7.883 -2.956 -8.813 300 HG22 VAL 41 HG22 VAL 41 7.530 -4.610 -8.310 301 HG23 VAL 41 HG23 VAL 41 9.179 -4.150 -8.732 302 H LEU 42 HN LEU 42 7.119 -4.822 -3.663 303 HA LEU 42 HA LEU 42 6.554 -2.743 -1.970 304 HB2 LEU 42 HB2 LEU 42 8.151 -5.249 -1.587 305 HB3 LEU 42 HB1 LEU 42 7.862 -4.149 -0.256 306 HG LEU 42 HG LEU 42 5.440 -4.964 -1.725 307 HD11 LEU 42 HD11 LEU 42 6.368 -7.108 -1.849 308 HD12 LEU 42 HD12 LEU 42 5.404 -7.138 -0.374 309 HD13 LEU 42 HD13 LEU 42 7.155 -6.956 -0.278 310 HD21 LEU 42 HD21 LEU 42 6.299 -4.282 1.010 311 HD22 LEU 42 HD22 LEU 42 4.992 -5.458 0.881 312 HD23 LEU 42 HD23 LEU 42 4.821 -3.865 0.143 313 H SER 43 HN SER 43 9.537 -3.475 -3.560 314 HA SER 43 HA SER 43 11.316 -2.102 -1.863 315 HB2 SER 43 HB2 SER 43 12.545 -3.328 -3.348 316 HB3 SER 43 HB1 SER 43 11.383 -3.098 -4.653 317 HG SER 43 HG SER 43 12.415 -1.353 -5.274 318 H THR 44 HN THR 44 9.574 -1.112 -4.742 319 HA THR 44 HA THR 44 10.402 1.608 -4.611 320 HB THR 44 HB THR 44 8.245 1.773 -6.148 321 HG1 THR 44 HG1 THR 44 7.680 -0.445 -5.553 322 HG21 THR 44 HG21 THR 44 10.726 0.328 -7.030 323 HG22 THR 44 HG22 THR 44 10.494 2.076 -7.002 324 HG23 THR 44 HG23 THR 44 9.533 1.076 -8.092 325 H ILE 45 HN ILE 45 8.034 -0.316 -3.030 326 HA ILE 45 HA ILE 45 6.370 1.965 -2.292 327 HB ILE 45 HB ILE 45 6.179 -0.872 -1.277 328 HG12 ILE 45 HG12 ILE 45 5.992 -0.758 -3.750 329 HG13 ILE 45 HG11 ILE 45 4.486 -1.247 -2.981 330 HG21 ILE 45 HG21 ILE 45 3.961 1.136 -1.443 331 HG22 ILE 45 HG22 ILE 45 5.055 1.095 -0.060 332 HG23 ILE 45 HG23 ILE 45 4.074 -0.318 -0.450 333 HD11 ILE 45 HD11 ILE 45 4.196 0.355 -4.841 334 HD12 ILE 45 HD12 ILE 45 5.089 1.551 -3.901 335 HD13 ILE 45 HD13 ILE 45 3.549 0.931 -3.305 336 H ASP 46 HN ASP 46 6.644 3.147 -0.503 337 HA ASP 46 HA ASP 46 8.519 2.142 1.533 338 HB2 ASP 46 HB2 ASP 46 9.168 4.211 0.239 339 HB3 ASP 46 HB1 ASP 46 7.814 5.032 1.011 340 H LYS 47 HN LYS 47 5.306 3.297 0.981 341 HA LYS 47 HA LYS 47 4.822 3.357 3.886 342 HB2 LYS 47 HB2 LYS 47 4.204 5.270 2.005 343 HB3 LYS 47 HB1 LYS 47 2.685 4.402 2.182 344 HG2 LYS 47 HG2 LYS 47 2.289 5.285 4.187 345 HG3 LYS 47 HG1 LYS 47 3.944 5.007 4.734 346 HD2 LYS 47 HD2 LYS 47 3.423 7.390 4.711 347 HD3 LYS 47 HD1 LYS 47 4.677 7.009 3.529 348 HE2 LYS 47 HE2 LYS 47 2.720 6.820 1.856 349 HE3 LYS 47 HE1 LYS 47 1.798 7.704 3.072 350 HZ1 LYS 47 HZ1 LYS 47 4.384 8.673 1.997 351 HZ2 LYS 47 HZ2 LYS 47 3.252 9.537 2.909 352 HZ3 LYS 47 HZ3 LYS 47 2.892 9.092 1.318 353 H LEU 48 HN LEU 48 2.808 2.475 4.651 354 HA LEU 48 HA LEU 48 1.329 0.681 2.932 355 HB2 LEU 48 HB2 LEU 48 3.545 -0.372 4.094 356 HB3 LEU 48 HB1 LEU 48 2.352 -0.681 5.342 357 HG LEU 48 HG LEU 48 1.003 -1.600 3.199 358 HD11 LEU 48 HD11 LEU 48 3.797 -2.482 2.592 359 HD12 LEU 48 HD12 LEU 48 3.123 -1.034 1.842 360 HD13 LEU 48 HD13 LEU 48 2.348 -2.599 1.594 361 HD21 LEU 48 HD21 LEU 48 1.576 -2.721 5.382 362 HD22 LEU 48 HD22 LEU 48 3.072 -3.259 4.619 363 HD23 LEU 48 HD23 LEU 48 1.516 -3.779 3.973 364 H GLN 49 HN GLN 49 -0.754 0.709 3.549 365 HA GLN 49 HA GLN 49 -1.353 1.294 6.370 366 HB2 GLN 49 HB2 GLN 49 -2.967 2.465 4.119 367 HB3 GLN 49 HB1 GLN 49 -2.974 2.915 5.817 368 HG2 GLN 49 HG2 GLN 49 -1.624 4.576 5.241 369 HG3 GLN 49 HG1 GLN 49 -0.366 3.354 5.069 370 HE21 GLN 49 HE21 GLN 49 -2.086 5.772 3.537 371 HE22 GLN 49 HE22 GLN 49 -1.631 5.426 1.907 372 H ALA 50 HN ALA 50 -3.001 0.209 7.268 373 HA ALA 50 HA ALA 50 -4.759 -1.402 5.553 374 HB1 ALA 50 HB1 ALA 50 -4.473 -3.356 6.820 375 HB2 ALA 50 HB2 ALA 50 -3.638 -2.497 8.114 376 HB3 ALA 50 HB3 ALA 50 -2.842 -2.743 6.562 377 H THR 51 HN THR 51 -6.804 -1.916 6.517 378 HA THR 51 HA THR 51 -7.750 0.197 8.194 379 HB THR 51 HB THR 51 -9.931 -0.702 7.838 380 HG1 THR 51 HG1 THR 51 -10.141 -2.773 7.831 381 HG21 THR 51 HG21 THR 51 -8.122 -0.834 5.466 382 HG22 THR 51 HG22 THR 51 -9.346 0.356 5.883 383 HG23 THR 51 HG23 THR 51 -9.833 -1.235 5.319 384 HA PRO 52 HA PRO 52 -7.156 -2.177 11.966 385 HB2 PRO 52 HB2 PRO 52 -6.789 -0.120 13.570 386 HB3 PRO 52 HB1 PRO 52 -5.599 -0.455 12.303 387 HG2 PRO 52 HG2 PRO 52 -7.763 1.604 12.373 388 HG3 PRO 52 HG1 PRO 52 -6.107 1.742 11.763 389 HD2 PRO 52 HD2 PRO 52 -8.401 1.222 10.226 390 HD3 PRO 52 HD1 PRO 52 -6.724 1.009 9.696 391 H ALA 53 HN ALA 53 -8.232 -2.212 14.093 392 HA ALA 53 HA ALA 53 -10.964 -2.395 13.999 393 HB1 ALA 53 HB1 ALA 53 -9.305 -1.765 16.434 394 HB2 ALA 53 HB2 ALA 53 -9.589 -3.371 15.763 395 HB3 ALA 53 HB3 ALA 53 -10.933 -2.444 16.431 396 H SER 54 HN SER 54 -9.304 0.526 13.804 397 HA SER 54 HA SER 54 -10.840 2.293 15.335 398 HB2 SER 54 HB2 SER 54 -9.542 2.729 12.656 399 HB3 SER 54 HB1 SER 54 -10.044 4.008 13.765 400 HG SER 54 HG SER 54 -8.087 2.018 14.300 401 H SER 55 HN SER 55 -11.341 0.788 12.286 402 HA SER 55 HA SER 55 -14.092 1.783 12.225 403 HB2 SER 55 HB2 SER 55 -11.989 2.046 10.114 404 HB3 SER 55 HB1 SER 55 -13.677 1.864 9.634 405 HG SER 55 HG SER 55 -12.467 3.935 11.112 406 H GLU 56 HN GLU 56 -15.321 0.530 10.420 407 HA GLU 56 HA GLU 56 -14.704 -2.309 10.789 408 HB2 GLU 56 HB2 GLU 56 -16.998 -2.706 9.992 409 HB3 GLU 56 HB1 GLU 56 -16.975 -1.602 11.361 410 HG2 GLU 56 HG2 GLU 56 -17.713 0.153 10.140 411 HG3 GLU 56 HG1 GLU 56 -16.904 -0.386 8.669 412 H LYS 57 HN LYS 57 -13.174 -0.637 9.018 413 HA LYS 57 HA LYS 57 -13.971 -1.174 6.330 414 HB2 LYS 57 HB2 LYS 57 -11.694 0.195 7.672 415 HB3 LYS 57 HB1 LYS 57 -11.476 -0.332 6.012 416 HG2 LYS 57 HG2 LYS 57 -12.211 2.016 6.230 417 HG3 LYS 57 HG1 LYS 57 -13.297 1.015 5.271 418 HD2 LYS 57 HD2 LYS 57 -15.001 1.344 6.679 419 HD3 LYS 57 HD1 LYS 57 -13.998 1.026 8.089 420 HE2 LYS 57 HE2 LYS 57 -14.523 3.221 8.460 421 HE3 LYS 57 HE1 LYS 57 -13.035 3.409 7.534 422 HZ1 LYS 57 HZ1 LYS 57 -14.682 3.442 5.539 423 HZ2 LYS 57 HZ2 LYS 57 -14.427 4.842 6.452 424 HZ3 LYS 57 HZ3 LYS 57 -15.809 3.903 6.714 425 H MET 58 HN MET 58 -11.853 -1.861 4.956 426 HA MET 58 HA MET 58 -10.261 -3.980 5.902 427 HB2 MET 58 HB2 MET 58 -11.414 -5.766 4.455 428 HB3 MET 58 HB1 MET 58 -12.137 -5.391 6.013 429 HG2 MET 58 HG2 MET 58 -13.379 -3.638 4.280 430 HG3 MET 58 HG1 MET 58 -13.222 -5.120 3.341 431 HE1 MET 58 HE1 MET 58 -14.781 -7.345 3.831 432 HE2 MET 58 HE2 MET 58 -15.341 -5.897 2.986 433 HE3 MET 58 HE3 MET 58 -16.382 -6.682 4.174 434 H MET 59 HN MET 59 -8.750 -2.724 4.763 435 HA MET 59 HA MET 59 -8.454 -3.400 2.009 436 HB2 MET 59 HB2 MET 59 -8.670 -1.211 1.040 437 HB3 MET 59 HB1 MET 59 -10.145 -1.559 1.925 438 HG2 MET 59 HG2 MET 59 -8.254 -0.220 3.621 439 HG3 MET 59 HG1 MET 59 -8.506 0.690 2.137 440 HE1 MET 59 HE1 MET 59 -10.295 2.904 3.980 441 HE2 MET 59 HE2 MET 59 -8.837 2.014 4.395 442 HE3 MET 59 HE3 MET 59 -10.260 1.902 5.428 443 H LEU 60 HN LEU 60 -6.391 -3.028 1.235 444 HA LEU 60 HA LEU 60 -4.468 -1.954 3.195 445 HB2 LEU 60 HB2 LEU 60 -4.090 -4.077 1.078 446 HB3 LEU 60 HB1 LEU 60 -2.793 -3.412 2.050 447 HG LEU 60 HG LEU 60 -5.091 -5.125 2.979 448 HD11 LEU 60 HD11 LEU 60 -2.115 -5.463 2.793 449 HD12 LEU 60 HD12 LEU 60 -3.386 -6.496 2.138 450 HD13 LEU 60 HD13 LEU 60 -3.093 -6.449 3.878 451 HD21 LEU 60 HD21 LEU 60 -3.086 -3.574 4.606 452 HD22 LEU 60 HD22 LEU 60 -4.062 -4.898 5.242 453 HD23 LEU 60 HD23 LEU 60 -4.843 -3.433 4.648 454 H ARG 61 HN ARG 61 -3.212 -0.276 2.581 455 HA ARG 61 HA ARG 61 -3.252 0.476 -0.270 456 HB2 ARG 61 HB2 ARG 61 -4.535 2.082 0.993 457 HB3 ARG 61 HB1 ARG 61 -3.242 2.256 2.171 458 HG2 ARG 61 HG2 ARG 61 -2.222 3.808 0.954 459 HG3 ARG 61 HG1 ARG 61 -2.317 2.828 -0.509 460 HD2 ARG 61 HD2 ARG 61 -4.219 3.835 -1.222 461 HD3 ARG 61 HD1 ARG 61 -4.833 4.072 0.413 462 HE ARG 61 HE ARG 61 -2.564 5.716 -0.301 463 HH11 ARG 61 HH11 ARG 61 -6.046 5.474 -0.166 464 HH12 ARG 61 HH12 ARG 61 -6.288 7.188 -0.189 465 HH21 ARG 61 HH21 ARG 61 -2.886 7.968 -0.331 466 HH22 ARG 61 HH22 ARG 61 -4.496 8.603 -0.283 467 H LEU 62 HN LEU 62 -1.357 0.853 -1.260 468 HA LEU 62 HA LEU 62 1.078 0.875 0.401 469 HB2 LEU 62 HB2 LEU 62 1.074 -0.216 -2.386 470 HB3 LEU 62 HB1 LEU 62 2.194 -0.535 -1.076 471 HG LEU 62 HG LEU 62 0.985 -2.531 -1.359 472 HD11 LEU 62 HD11 LEU 62 0.517 -2.857 0.793 473 HD12 LEU 62 HD12 LEU 62 -0.800 -1.685 0.770 474 HD13 LEU 62 HD13 LEU 62 0.859 -1.143 1.020 475 HD21 LEU 62 HD21 LEU 62 -0.880 -1.166 -2.626 476 HD22 LEU 62 HD22 LEU 62 -1.691 -1.269 -1.063 477 HD23 LEU 62 HD23 LEU 62 -1.220 -2.742 -1.911 478 H ILE 63 HN ILE 63 2.435 2.534 0.073 479 HA ILE 63 HA ILE 63 1.917 4.266 -2.251 480 HB ILE 63 HB ILE 63 3.288 5.161 0.268 481 HG12 ILE 63 HG12 ILE 63 1.112 4.413 0.961 482 HG13 ILE 63 HG11 ILE 63 1.093 6.171 0.893 483 HG21 ILE 63 HG21 ILE 63 3.734 6.754 -1.314 484 HG22 ILE 63 HG22 ILE 63 2.207 7.362 -0.675 485 HG23 ILE 63 HG23 ILE 63 2.233 6.461 -2.191 486 HD11 ILE 63 HD11 ILE 63 -0.631 6.128 -0.484 487 HD12 ILE 63 HD12 ILE 63 -0.675 4.371 -0.326 488 HD13 ILE 63 HD13 ILE 63 0.258 5.117 -1.624 489 H GLY 64 HN GLY 64 3.580 5.090 -3.424 490 HA2 GLY 64 HA2 GLY 64 5.812 3.472 -3.866 491 HA3 GLY 64 HA1 GLY 64 5.636 5.120 -4.448 492 H LYS 65 HN LYS 65 7.972 5.204 -4.114 493 HA LYS 65 HA LYS 65 8.790 5.405 -1.308 494 HB2 LYS 65 HB2 LYS 65 10.070 4.060 -3.115 495 HB3 LYS 65 HB1 LYS 65 10.645 5.631 -3.658 496 HG2 LYS 65 HG2 LYS 65 12.313 5.291 -2.215 497 HG3 LYS 65 HG1 LYS 65 11.140 5.766 -0.986 498 HD2 LYS 65 HD2 LYS 65 11.909 3.773 -0.125 499 HD3 LYS 65 HD1 LYS 65 10.501 3.230 -1.039 500 HE2 LYS 65 HE2 LYS 65 12.564 1.847 -1.361 501 HE3 LYS 65 HE1 LYS 65 11.860 2.486 -2.846 502 HZ1 LYS 65 HZ1 LYS 65 13.575 3.963 -3.130 503 HZ2 LYS 65 HZ2 LYS 65 14.399 2.655 -2.443 504 HZ3 LYS 65 HZ3 LYS 65 13.991 3.992 -1.490 505 H VAL 66 HN VAL 66 8.038 7.352 -4.034 506 HA VAL 66 HA VAL 66 9.616 9.594 -3.700 507 HB VAL 66 HB VAL 66 6.684 9.812 -4.342 508 HG11 VAL 66 HG11 VAL 66 7.901 11.445 -6.055 509 HG12 VAL 66 HG12 VAL 66 9.111 11.452 -4.773 510 HG13 VAL 66 HG13 VAL 66 7.454 11.945 -4.424 511 HG21 VAL 66 HG21 VAL 66 7.132 8.145 -5.833 512 HG22 VAL 66 HG22 VAL 66 8.855 8.513 -5.896 513 HG23 VAL 66 HG23 VAL 66 7.706 9.521 -6.775 514 H ASP 67 HN ASP 67 9.071 11.697 -2.769 515 HA ASP 67 HA ASP 67 7.505 11.465 -0.285 516 HB2 ASP 67 HB2 ASP 67 10.285 12.443 -0.713 517 HB3 ASP 67 HB1 ASP 67 9.298 13.278 0.484 518 H GLU 68 HN GLU 68 8.227 13.289 -3.109 519 HA GLU 68 HA GLU 68 7.596 15.339 -3.883 520 HB2 GLU 68 HB2 GLU 68 5.130 15.818 -3.454 521 HB3 GLU 68 HB1 GLU 68 5.518 14.298 -4.245 522 HG2 GLU 68 HG2 GLU 68 5.221 13.105 -2.161 523 HG3 GLU 68 HG1 GLU 68 4.914 14.621 -1.315 524 H SER 69 HN SER 69 8.931 15.368 -1.308 525 HA SER 69 HA SER 69 7.828 17.852 -0.243 526 HB2 SER 69 HB2 SER 69 7.512 16.282 1.493 527 HB3 SER 69 HB1 SER 69 9.089 15.546 1.214 528 HG SER 69 HG SER 69 8.804 17.083 3.066 529 H LYS 70 HN LYS 70 10.651 16.090 -1.204 530 HA LYS 70 HA LYS 70 12.534 18.062 -0.375 531 HB2 LYS 70 HB2 LYS 70 14.133 16.745 -1.774 532 HB3 LYS 70 HB1 LYS 70 13.291 15.797 -0.556 533 HG2 LYS 70 HG2 LYS 70 11.988 15.879 -3.187 534 HG3 LYS 70 HG1 LYS 70 13.559 15.076 -3.145 535 HD2 LYS 70 HD2 LYS 70 12.388 14.039 -0.929 536 HD3 LYS 70 HD1 LYS 70 10.984 14.267 -1.974 537 HE2 LYS 70 HE2 LYS 70 13.479 12.928 -2.966 538 HE3 LYS 70 HE1 LYS 70 12.238 12.028 -2.095 539 HZ1 LYS 70 HZ1 LYS 70 12.192 12.229 -4.689 540 HZ2 LYS 70 HZ2 LYS 70 11.414 13.694 -4.360 541 HZ3 LYS 70 HZ3 LYS 70 10.755 12.243 -3.794 542 H LYS 71 HN LYS 71 10.583 17.542 -3.188 543 HA LYS 71 HA LYS 71 10.361 18.614 -5.167 544 HB2 LYS 71 HB2 LYS 71 11.156 20.775 -3.260 545 HB3 LYS 71 HB1 LYS 71 10.889 21.148 -4.960 546 HG2 LYS 71 HG2 LYS 71 8.789 21.492 -4.257 547 HG3 LYS 71 HG1 LYS 71 8.681 19.738 -4.463 548 HD2 LYS 71 HD2 LYS 71 9.213 19.415 -2.105 549 HD3 LYS 71 HD1 LYS 71 9.320 21.164 -1.883 550 HE2 LYS 71 HE2 LYS 71 6.821 20.187 -3.096 551 HE3 LYS 71 HE1 LYS 71 7.089 19.704 -1.422 552 HZ1 LYS 71 HZ1 LYS 71 7.682 22.252 -1.216 553 HZ2 LYS 71 HZ2 LYS 71 6.090 21.695 -1.084 554 HZ3 LYS 71 HZ3 LYS 71 6.633 22.364 -2.539 555 H ARG 72 HN ARG 72 11.357 19.702 -6.941 556 HA ARG 72 HA ARG 72 14.262 19.270 -7.034 557 HB2 ARG 72 HB2 ARG 72 12.414 19.655 -9.389 558 HB3 ARG 72 HB1 ARG 72 14.050 19.009 -9.397 559 HG2 ARG 72 HG2 ARG 72 12.854 17.081 -9.600 560 HG3 ARG 72 HG1 ARG 72 12.984 17.177 -7.843 561 HD2 ARG 72 HD2 ARG 72 10.776 17.337 -7.617 562 HD3 ARG 72 HD1 ARG 72 10.693 18.652 -8.789 563 HE ARG 72 HE ARG 72 10.141 15.867 -9.257 564 HH11 ARG 72 HH11 ARG 72 11.053 18.897 -10.730 565 HH12 ARG 72 HH12 ARG 72 10.474 18.451 -12.300 566 HH21 ARG 72 HH21 ARG 72 9.380 15.280 -11.321 567 HH22 ARG 72 HH22 ARG 72 9.523 16.398 -12.636 568 H LYS 73 HN LYS 73 11.795 21.608 -7.025 569 HA LYS 73 HA LYS 73 11.773 23.860 -7.071 570 HB2 LYS 73 HB2 LYS 73 14.627 23.239 -6.587 571 HB3 LYS 73 HB1 LYS 73 14.282 24.860 -7.173 572 HG2 LYS 73 HG2 LYS 73 14.290 25.022 -4.836 573 HG3 LYS 73 HG1 LYS 73 12.587 25.027 -5.300 574 HD2 LYS 73 HD2 LYS 73 12.855 23.577 -3.406 575 HD3 LYS 73 HD1 LYS 73 12.515 22.585 -4.825 576 HE2 LYS 73 HE2 LYS 73 14.688 21.789 -4.948 577 HE3 LYS 73 HE1 LYS 73 15.342 23.141 -4.025 578 HZ1 LYS 73 HZ1 LYS 73 13.879 22.132 -2.146 579 HZ2 LYS 73 HZ2 LYS 73 15.395 21.465 -2.487 580 HZ3 LYS 73 HZ3 LYS 73 13.994 20.715 -3.065 581 H ASP 74 HN ASP 74 13.100 25.787 -8.396 582 HA ASP 74 HA ASP 74 13.640 24.948 -11.100 583 HB2 ASP 74 HB2 ASP 74 11.087 26.124 -10.287 584 HB3 ASP 74 HB1 ASP 74 11.867 26.997 -11.603 585 H ASN 75 HN ASN 75 13.921 27.088 -12.492 586 HA ASN 75 HA ASN 75 16.135 28.430 -11.461 587 HB2 ASN 75 HB2 ASN 75 14.301 28.968 -13.772 588 HB3 ASN 75 HB1 ASN 75 15.584 30.104 -13.369 589 HD21 ASN 75 HD21 ASN 75 14.903 26.781 -14.276 590 HD22 ASN 75 HD22 ASN 75 16.451 26.458 -14.972 591 H GLU 76 HN GLU 76 12.753 29.216 -11.371 592 HA GLU 76 HA GLU 76 13.319 31.746 -10.052 593 HB2 GLU 76 HB2 GLU 76 10.707 30.673 -11.116 594 HB3 GLU 76 HB1 GLU 76 10.946 32.268 -10.416 595 HG2 GLU 76 HG2 GLU 76 11.202 32.913 -12.537 596 HG3 GLU 76 HG1 GLU 76 12.834 32.274 -12.353 597 H GLY 77 HN GLY 77 12.371 28.545 -9.401 598 HA2 GLY 77 HA2 GLY 77 12.332 27.715 -7.164 599 HA3 GLY 77 HA1 GLY 77 11.793 29.297 -6.620 600 H ASN 78 HN ASN 78 10.375 27.766 -9.406 601 HA ASN 78 HA ASN 78 7.753 27.991 -8.402 602 HB2 ASN 78 HB2 ASN 78 8.754 27.663 -10.867 603 HB3 ASN 78 HB1 ASN 78 8.298 25.994 -10.536 604 HD21 ASN 78 HD21 ASN 78 6.977 26.829 -12.515 605 HD22 ASN 78 HD22 ASN 78 5.380 27.367 -12.134 606 H GLU 79 HN GLU 79 9.951 25.226 -8.667 607 HA GLU 79 HA GLU 79 9.969 23.187 -7.660 608 HB2 GLU 79 HB2 GLU 79 7.951 24.194 -5.673 609 HB3 GLU 79 HB1 GLU 79 9.247 23.031 -5.431 610 HG2 GLU 79 HG2 GLU 79 10.684 25.207 -6.094 611 HG3 GLU 79 HG1 GLU 79 9.292 25.969 -5.328 612 H VAL 80 HN VAL 80 8.641 21.260 -7.194 613 HA VAL 80 HA VAL 80 5.898 21.375 -8.192 614 HB VAL 80 HB VAL 80 7.241 20.893 -10.182 615 HG11 VAL 80 HG11 VAL 80 8.256 18.556 -8.572 616 HG12 VAL 80 HG12 VAL 80 9.196 19.910 -9.201 617 HG13 VAL 80 HG13 VAL 80 8.482 18.741 -10.312 618 HG21 VAL 80 HG21 VAL 80 5.817 18.391 -9.287 619 HG22 VAL 80 HG22 VAL 80 6.045 18.968 -10.938 620 HG23 VAL 80 HG23 VAL 80 4.991 19.850 -9.834 621 H VAL 81 HN VAL 81 4.691 19.404 -7.762 622 HA VAL 81 HA VAL 81 5.761 17.938 -5.473 623 HB VAL 81 HB VAL 81 2.850 18.413 -6.099 624 HG11 VAL 81 HG11 VAL 81 3.674 16.391 -4.696 625 HG12 VAL 81 HG12 VAL 81 2.337 17.373 -4.097 626 HG13 VAL 81 HG13 VAL 81 3.959 17.600 -3.444 627 HG21 VAL 81 HG21 VAL 81 3.346 20.522 -5.456 628 HG22 VAL 81 HG22 VAL 81 4.832 20.039 -4.639 629 HG23 VAL 81 HG23 VAL 81 3.275 19.815 -3.842 630 HA PRO 82 HA PRO 82 5.620 14.829 -8.908 631 HB2 PRO 82 HB2 PRO 82 7.137 13.487 -6.708 632 HB3 PRO 82 HB1 PRO 82 7.451 13.490 -8.448 633 HG2 PRO 82 HG2 PRO 82 8.907 15.007 -6.845 634 HG3 PRO 82 HG1 PRO 82 8.350 15.642 -8.406 635 HD2 PRO 82 HD2 PRO 82 7.328 16.201 -5.657 636 HD3 PRO 82 HD1 PRO 82 7.488 17.296 -7.045 637 H LYS 83 HN LYS 83 3.353 14.545 -8.571 638 HA LYS 83 HA LYS 83 2.011 13.450 -6.470 639 HB2 LYS 83 HB2 LYS 83 1.482 12.651 -9.332 640 HB3 LYS 83 HB1 LYS 83 0.324 12.715 -8.012 641 HG2 LYS 83 HG2 LYS 83 1.651 15.024 -9.405 642 HG3 LYS 83 HG1 LYS 83 -0.062 14.601 -9.394 643 HD2 LYS 83 HD2 LYS 83 -0.067 14.999 -6.929 644 HD3 LYS 83 HD1 LYS 83 1.588 15.595 -7.075 645 HE2 LYS 83 HE2 LYS 83 -0.339 16.799 -8.939 646 HE3 LYS 83 HE1 LYS 83 -0.636 17.148 -7.237 647 HZ1 LYS 83 HZ1 LYS 83 2.123 17.422 -8.022 648 HZ2 LYS 83 HZ2 LYS 83 1.144 18.470 -7.127 649 HZ3 LYS 83 HZ3 LYS 83 1.083 18.495 -8.816 650 HA PRO 84 HA PRO 84 4.327 9.536 -6.157 651 HB2 PRO 84 HB2 PRO 84 2.532 9.270 -3.811 652 HB3 PRO 84 HB1 PRO 84 4.288 9.108 -3.908 653 HG2 PRO 84 HG2 PRO 84 3.171 11.254 -2.786 654 HG3 PRO 84 HG1 PRO 84 4.640 11.394 -3.770 655 HD2 PRO 84 HD2 PRO 84 1.808 12.046 -4.484 656 HD3 PRO 84 HD1 PRO 84 3.302 12.914 -4.894 657 H GLN 85 HN GLN 85 3.770 7.399 -6.541 658 HA GLN 85 HA GLN 85 1.208 6.987 -7.777 659 HB2 GLN 85 HB2 GLN 85 3.684 5.336 -7.427 660 HB3 GLN 85 HB1 GLN 85 2.191 4.570 -7.953 661 HG2 GLN 85 HG2 GLN 85 2.354 6.739 -9.612 662 HG3 GLN 85 HG1 GLN 85 4.044 6.278 -9.416 663 HE21 GLN 85 HE21 GLN 85 4.088 3.653 -9.330 664 HE22 GLN 85 HE22 GLN 85 3.405 2.945 -10.750 665 H ARG 86 HN ARG 86 0.206 7.520 -5.562 666 HA ARG 86 HA ARG 86 0.196 5.359 -3.649 667 HB2 ARG 86 HB2 ARG 86 -1.512 7.851 -3.794 668 HB3 ARG 86 HB1 ARG 86 -1.433 6.743 -2.431 669 HG2 ARG 86 HG2 ARG 86 0.474 7.626 -1.664 670 HG3 ARG 86 HG1 ARG 86 1.166 7.788 -3.279 671 HD2 ARG 86 HD2 ARG 86 0.283 9.881 -3.595 672 HD3 ARG 86 HD1 ARG 86 -1.070 9.592 -2.503 673 HE ARG 86 HE ARG 86 1.399 10.785 -1.836 674 HH11 ARG 86 HH11 ARG 86 -0.970 8.555 -0.573 675 HH12 ARG 86 HH12 ARG 86 -0.604 8.908 1.082 676 HH21 ARG 86 HH21 ARG 86 1.882 11.251 0.341 677 HH22 ARG 86 HH22 ARG 86 1.014 10.439 1.601 678 H HIS 87 HN HIS 87 -1.272 3.767 -3.452 679 HA HIS 87 HA HIS 87 -3.762 3.922 -4.980 680 HB2 HIS 87 HB2 HIS 87 -3.250 1.361 -5.472 681 HB3 HIS 87 HB1 HIS 87 -2.698 2.637 -6.551 682 HD1 HIS 87 HD1 HIS 87 -0.286 2.578 -7.106 683 HD2 HIS 87 HD2 HIS 87 -1.110 0.573 -3.561 684 HE1 HIS 87 HE1 HIS 87 1.896 1.552 -6.391 685 HE2 HIS 87 HE2 HIS 87 1.350 0.262 -4.297 686 H MET 88 HN MET 88 -5.478 3.116 -3.931 687 HA MET 88 HA MET 88 -4.989 1.850 -1.325 688 HB2 MET 88 HB2 MET 88 -6.325 3.922 -1.330 689 HB3 MET 88 HB1 MET 88 -7.495 3.162 -2.398 690 HG2 MET 88 HG2 MET 88 -8.067 1.555 -0.680 691 HG3 MET 88 HG1 MET 88 -6.836 2.226 0.388 692 HE1 MET 88 HE1 MET 88 -8.859 4.047 2.594 693 HE2 MET 88 HE2 MET 88 -8.045 2.526 2.233 694 HE3 MET 88 HE3 MET 88 -9.800 2.638 2.118 695 H PHE 89 HN PHE 89 -5.103 -0.287 -1.324 696 HA PHE 89 HA PHE 89 -6.762 -1.668 -3.291 697 HB2 PHE 89 HB2 PHE 89 -4.266 -2.210 -2.095 698 HB3 PHE 89 HB1 PHE 89 -5.372 -3.431 -1.477 699 HD1 PHE 89 HD1 PHE 89 -7.118 -4.062 -3.608 700 HD2 PHE 89 HD2 PHE 89 -2.979 -3.083 -3.776 701 HE1 PHE 89 HE1 PHE 89 -6.912 -5.306 -5.719 702 HE2 PHE 89 HE2 PHE 89 -2.770 -4.324 -5.889 703 HZ PHE 89 HZ PHE 89 -4.742 -5.428 -6.857 704 H SER 90 HN SER 90 -8.726 -2.461 -2.784 705 HA SER 90 HA SER 90 -9.337 -2.863 0.070 706 HB2 SER 90 HB2 SER 90 -11.111 -1.618 -2.035 707 HB3 SER 90 HB1 SER 90 -11.629 -2.027 -0.399 708 HG SER 90 HG SER 90 -10.358 0.165 -1.247 709 H PHE 91 HN PHE 91 -10.201 -4.748 0.592 710 HA PHE 91 HA PHE 91 -11.491 -6.331 -1.514 711 HB2 PHE 91 HB2 PHE 91 -10.399 -8.203 0.271 712 HB3 PHE 91 HB1 PHE 91 -9.916 -7.900 -1.393 713 HD1 PHE 91 HD2 PHE 91 -8.384 -5.522 -1.402 714 HD2 PHE 91 HD1 PHE 91 -8.628 -8.482 1.642 715 HE1 PHE 91 HE2 PHE 91 -6.137 -4.906 -0.625 716 HE2 PHE 91 HE1 PHE 91 -6.380 -7.884 2.407 717 HZ PHE 91 HZ PHE 91 -5.127 -6.089 1.279 718 H ASN 92 HN ASN 92 -12.767 -8.204 -0.481 719 HA ASN 92 HA ASN 92 -14.408 -7.015 1.616 720 HB2 ASN 92 HB2 ASN 92 -14.825 -9.244 -0.356 721 HB3 ASN 92 HB1 ASN 92 -15.883 -9.072 1.041 722 HD21 ASN 92 HD21 ASN 92 -14.541 -7.225 -1.663 723 HD22 ASN 92 HD22 ASN 92 -15.948 -6.257 -1.926 724 H ASN 93 HN ASN 93 -11.756 -8.228 2.165 725 HA ASN 93 HA ASN 93 -12.666 -10.185 4.155 726 HB2 ASN 93 HB2 ASN 93 -10.431 -10.412 2.192 727 HB3 ASN 93 HB1 ASN 93 -10.228 -11.140 3.782 728 HD21 ASN 93 HD21 ASN 93 -11.289 -12.986 4.271 729 HD22 ASN 93 HD22 ASN 93 -12.294 -13.848 3.161 730 H ARG 94 HN ARG 94 -12.422 -9.323 6.083 731 HA ARG 94 HA ARG 94 -10.433 -7.286 6.588 732 HB2 ARG 94 HB2 ARG 94 -12.219 -8.577 8.643 733 HB3 ARG 94 HB1 ARG 94 -11.487 -6.980 8.690 734 HG2 ARG 94 HG2 ARG 94 -13.193 -6.053 7.605 735 HG3 ARG 94 HG1 ARG 94 -13.224 -7.331 6.390 736 HD2 ARG 94 HD2 ARG 94 -15.146 -7.986 7.310 737 HD3 ARG 94 HD1 ARG 94 -14.187 -8.567 8.670 738 HE ARG 94 HE ARG 94 -15.889 -6.245 8.604 739 HH11 ARG 94 HH11 ARG 94 -13.197 -7.793 10.200 740 HH12 ARG 94 HH12 ARG 94 -13.414 -6.922 11.681 741 HH21 ARG 94 HH21 ARG 94 -16.174 -5.100 10.552 742 HH22 ARG 94 HH22 ARG 94 -15.103 -5.394 11.881 743 H THR 95 HN THR 95 -10.921 -10.679 7.234 744 HA THR 95 HA THR 95 -8.870 -10.922 9.202 745 HB THR 95 HB THR 95 -10.920 -12.499 8.489 746 HG1 THR 95 HG1 THR 95 -10.176 -13.714 10.047 747 HG21 THR 95 HG21 THR 95 -8.549 -13.842 7.216 748 HG22 THR 95 HG22 THR 95 -9.978 -13.241 6.374 749 HG23 THR 95 HG23 THR 95 -10.123 -14.576 7.517 750 H VAL 96 HN VAL 96 -9.066 -11.603 5.735 751 HA VAL 96 HA VAL 96 -6.466 -12.595 5.394 752 HB VAL 96 HB VAL 96 -8.028 -11.009 3.351 753 HG11 VAL 96 HG11 VAL 96 -5.479 -11.877 3.171 754 HG12 VAL 96 HG12 VAL 96 -6.566 -11.719 1.791 755 HG13 VAL 96 HG13 VAL 96 -6.342 -13.290 2.561 756 HG21 VAL 96 HG21 VAL 96 -8.996 -13.204 4.609 757 HG22 VAL 96 HG22 VAL 96 -8.132 -13.944 3.261 758 HG23 VAL 96 HG23 VAL 96 -9.392 -12.750 2.952 759 H MET 97 HN MET 97 -7.689 -9.332 4.610 760 HA MET 97 HA MET 97 -5.374 -8.077 3.930 761 HB2 MET 97 HB2 MET 97 -6.387 -5.998 4.961 762 HB3 MET 97 HB1 MET 97 -7.375 -6.842 3.786 763 HG2 MET 97 HG2 MET 97 -8.994 -6.677 5.297 764 HG3 MET 97 HG1 MET 97 -8.173 -8.007 6.111 765 HE1 MET 97 HE1 MET 97 -7.858 -4.281 5.509 766 HE2 MET 97 HE2 MET 97 -6.245 -4.463 6.198 767 HE3 MET 97 HE3 MET 97 -7.486 -3.582 7.085 768 H ASP 98 HN ASP 98 -6.592 -8.232 7.274 769 HA ASP 98 HA ASP 98 -4.451 -6.925 8.479 770 HB2 ASP 98 HB2 ASP 98 -6.803 -7.852 9.378 771 HB3 ASP 98 HB1 ASP 98 -5.746 -9.112 10.009 772 H ASN 99 HN ASN 99 -4.674 -10.175 7.295 773 HA ASN 99 HA ASN 99 -2.376 -11.074 8.817 774 HB2 ASN 99 HB2 ASN 99 -4.344 -12.343 6.981 775 HB3 ASN 99 HB1 ASN 99 -2.762 -13.102 7.131 776 HD21 ASN 99 HD21 ASN 99 -5.016 -14.426 7.902 777 HD22 ASN 99 HD22 ASN 99 -5.041 -14.589 9.622 778 H ILE 100 HN ILE 100 -3.114 -10.229 5.451 779 HA ILE 100 HA ILE 100 -0.503 -10.962 4.548 780 HB ILE 100 HB ILE 100 -2.458 -10.971 3.036 781 HG12 ILE 100 HG12 ILE 100 -0.063 -9.282 2.317 782 HG13 ILE 100 HG11 ILE 100 -0.297 -11.003 2.029 783 HG21 ILE 100 HG21 ILE 100 -3.763 -9.207 2.701 784 HG22 ILE 100 HG22 ILE 100 -2.381 -8.173 2.335 785 HG23 ILE 100 HG23 ILE 100 -2.892 -8.404 4.007 786 HD11 ILE 100 HD11 ILE 100 -0.503 -9.584 0.007 787 HD12 ILE 100 HD12 ILE 100 -1.930 -8.834 0.730 788 HD13 ILE 100 HD13 ILE 100 -1.934 -10.559 0.345 789 H LYS 101 HN LYS 101 -1.983 -7.936 5.635 790 HA LYS 101 HA LYS 101 0.146 -6.280 4.742 791 HB2 LYS 101 HB2 LYS 101 -2.167 -5.488 5.354 792 HB3 LYS 101 HB1 LYS 101 -1.726 -5.717 7.042 793 HG2 LYS 101 HG2 LYS 101 0.104 -4.088 5.394 794 HG3 LYS 101 HG1 LYS 101 -1.465 -3.386 5.778 795 HD2 LYS 101 HD2 LYS 101 0.348 -4.583 7.859 796 HD3 LYS 101 HD1 LYS 101 0.414 -2.881 7.399 797 HE2 LYS 101 HE2 LYS 101 -1.652 -2.413 8.318 798 HE3 LYS 101 HE1 LYS 101 -2.202 -4.087 8.169 799 HZ1 LYS 101 HZ1 LYS 101 -1.396 -2.972 10.459 800 HZ2 LYS 101 HZ2 LYS 101 0.050 -3.684 9.947 801 HZ3 LYS 101 HZ3 LYS 101 -1.335 -4.634 10.149 802 H MET 102 HN MET 102 -0.520 -8.063 7.690 803 HA MET 102 HA MET 102 1.329 -7.012 9.437 804 HB2 MET 102 HB2 MET 102 -0.338 -9.057 9.631 805 HB3 MET 102 HB1 MET 102 1.103 -9.987 9.246 806 HG2 MET 102 HG2 MET 102 2.059 -9.598 11.248 807 HG3 MET 102 HG1 MET 102 1.394 -7.970 11.374 808 HE1 MET 102 HE1 MET 102 -1.157 -11.060 10.690 809 HE2 MET 102 HE2 MET 102 -0.921 -11.838 12.255 810 HE3 MET 102 HE3 MET 102 0.441 -11.646 11.152 811 H THR 103 HN THR 103 1.827 -9.195 6.740 812 HA THR 103 HA THR 103 4.606 -9.657 7.276 813 HB THR 103 HB THR 103 2.995 -10.076 4.750 814 HG1 THR 103 HG1 THR 103 3.749 -11.900 6.785 815 HG21 THR 103 HG21 THR 103 5.294 -11.802 5.211 816 HG22 THR 103 HG22 THR 103 5.718 -10.117 4.908 817 HG23 THR 103 HG23 THR 103 4.744 -11.007 3.737 818 H LEU 104 HN LEU 104 2.832 -7.685 4.896 819 HA LEU 104 HA LEU 104 5.049 -6.533 3.647 820 HB2 LEU 104 HB2 LEU 104 2.209 -5.635 4.015 821 HB3 LEU 104 HB1 LEU 104 3.375 -4.613 3.197 822 HG LEU 104 HG LEU 104 3.771 -6.775 1.742 823 HD11 LEU 104 HD11 LEU 104 0.954 -7.142 2.743 824 HD12 LEU 104 HD12 LEU 104 2.317 -8.219 3.041 825 HD13 LEU 104 HD13 LEU 104 1.694 -8.020 1.404 826 HD21 LEU 104 HD21 LEU 104 1.510 -5.893 0.514 827 HD22 LEU 104 HD22 LEU 104 3.083 -5.104 0.408 828 HD23 LEU 104 HD23 LEU 104 1.888 -4.534 1.572 829 H GLN 105 HN GLN 105 3.004 -5.163 6.230 830 HA GLN 105 HA GLN 105 4.293 -2.798 6.686 831 HB2 GLN 105 HB2 GLN 105 2.239 -3.520 7.847 832 HB3 GLN 105 HB1 GLN 105 3.189 -4.641 8.813 833 HG2 GLN 105 HG2 GLN 105 4.245 -2.920 9.986 834 HG3 GLN 105 HG1 GLN 105 3.774 -1.704 8.799 835 HE21 GLN 105 HE21 GLN 105 1.325 -1.518 8.540 836 HE22 GLN 105 HE22 GLN 105 0.412 -1.477 10.006 837 H GLN 106 HN GLN 106 5.135 -5.950 8.096 838 HA GLN 106 HA GLN 106 7.275 -5.081 9.674 839 HB2 GLN 106 HB2 GLN 106 6.622 -7.725 8.393 840 HB3 GLN 106 HB1 GLN 106 8.086 -7.507 9.343 841 HG2 GLN 106 HG2 GLN 106 6.777 -6.918 11.287 842 HG3 GLN 106 HG1 GLN 106 5.290 -7.022 10.346 843 HE21 GLN 106 HE21 GLN 106 7.786 -8.773 11.966 844 HE22 GLN 106 HE22 GLN 106 7.060 -10.336 11.850 845 H ILE 107 HN ILE 107 7.171 -6.160 6.301 846 HA ILE 107 HA ILE 107 9.902 -6.194 5.803 847 HB ILE 107 HB ILE 107 7.463 -6.283 4.243 848 HG12 ILE 107 HG12 ILE 107 10.233 -7.276 3.601 849 HG13 ILE 107 HG11 ILE 107 9.140 -8.083 4.723 850 HG21 ILE 107 HG21 ILE 107 8.568 -5.601 2.085 851 HG22 ILE 107 HG22 ILE 107 9.792 -4.790 3.061 852 HG23 ILE 107 HG23 ILE 107 8.105 -4.283 3.159 853 HD11 ILE 107 HD11 ILE 107 8.327 -7.505 1.900 854 HD12 ILE 107 HD12 ILE 107 7.650 -8.676 3.031 855 HD13 ILE 107 HD13 ILE 107 9.243 -8.950 2.326 856 H ILE 108 HN ILE 108 7.598 -3.545 5.073 857 HA ILE 108 HA ILE 108 9.377 -1.698 4.113 858 HB ILE 108 HB ILE 108 7.215 -0.853 6.018 859 HG12 ILE 108 HG12 ILE 108 6.129 -2.447 4.576 860 HG13 ILE 108 HG11 ILE 108 5.692 -0.835 4.022 861 HG21 ILE 108 HG21 ILE 108 7.385 1.188 5.066 862 HG22 ILE 108 HG22 ILE 108 7.744 0.534 3.468 863 HG23 ILE 108 HG23 ILE 108 9.013 0.622 4.690 864 HD11 ILE 108 HD11 ILE 108 6.290 -2.594 2.274 865 HD12 ILE 108 HD12 ILE 108 7.960 -2.338 2.779 866 HD13 ILE 108 HD13 ILE 108 7.022 -0.997 2.124 867 H SER 109 HN SER 109 8.494 -2.202 7.475 868 HA SER 109 HA SER 109 10.174 -0.270 8.606 869 HB2 SER 109 HB2 SER 109 8.421 -1.268 9.931 870 HB3 SER 109 HB1 SER 109 9.123 -2.873 9.734 871 HG SER 109 HG SER 109 9.700 -0.971 11.558 872 H ARG 110 HN ARG 110 10.789 -3.514 7.476 873 HA ARG 110 HA ARG 110 13.403 -3.657 8.688 874 HB2 ARG 110 HB2 ARG 110 13.274 -5.851 8.234 875 HB3 ARG 110 HB1 ARG 110 11.613 -5.540 7.757 876 HG2 ARG 110 HG2 ARG 110 12.334 -5.273 5.432 877 HG3 ARG 110 HG1 ARG 110 13.999 -5.595 5.918 878 HD2 ARG 110 HD2 ARG 110 11.987 -7.593 6.740 879 HD3 ARG 110 HD1 ARG 110 12.316 -7.487 5.011 880 HE ARG 110 HE ARG 110 14.752 -7.582 6.404 881 HH11 ARG 110 HH11 ARG 110 12.029 -9.623 5.631 882 HH12 ARG 110 HH12 ARG 110 12.952 -11.088 5.687 883 HH21 ARG 110 HH21 ARG 110 15.967 -9.507 6.479 884 HH22 ARG 110 HH22 ARG 110 15.187 -11.022 6.169 885 H TYR 111 HN TYR 111 12.106 -3.290 5.394 886 HA TYR 111 HA TYR 111 14.585 -3.062 4.095 887 HB2 TYR 111 HB2 TYR 111 11.768 -2.384 3.435 888 HB3 TYR 111 HB1 TYR 111 13.019 -1.613 2.468 889 HD1 TYR 111 HD2 TYR 111 13.855 -4.881 3.755 890 HD2 TYR 111 HD1 TYR 111 11.968 -2.836 0.535 891 HE1 TYR 111 HE2 TYR 111 14.032 -6.906 2.372 892 HE2 TYR 111 HE1 TYR 111 12.137 -4.856 -0.854 893 HH TYR 111 HH TYR 111 13.133 -7.915 0.456 894 H LYS 112 HN LYS 112 12.465 -0.600 5.510 895 HA LYS 112 HA LYS 112 13.815 1.682 4.668 896 HB2 LYS 112 HB2 LYS 112 12.220 1.085 7.150 897 HB3 LYS 112 HB1 LYS 112 12.920 2.672 6.869 898 HG2 LYS 112 HG2 LYS 112 10.804 1.269 5.269 899 HG3 LYS 112 HG1 LYS 112 10.682 2.791 6.148 900 HD2 LYS 112 HD2 LYS 112 10.957 3.632 4.053 901 HD3 LYS 112 HD1 LYS 112 12.659 3.442 4.483 902 HE2 LYS 112 HE2 LYS 112 12.610 2.427 2.421 903 HE3 LYS 112 HE1 LYS 112 12.339 1.048 3.487 904 HZ1 LYS 112 HZ1 LYS 112 10.518 2.337 1.618 905 HZ2 LYS 112 HZ2 LYS 112 9.840 1.815 3.077 906 HZ3 LYS 112 HZ3 LYS 112 10.634 0.711 2.072 907 H ASP 113 HN ASP 113 14.590 -0.600 7.167 908 HA ASP 113 HA ASP 113 16.504 0.982 8.530 909 HB2 ASP 113 HB2 ASP 113 15.334 -1.054 9.450 910 HB3 ASP 113 HB1 ASP 113 16.402 -2.030 8.445 911 H ALA 114 HN ALA 114 16.606 -0.352 5.469 912 HA ALA 114 HA ALA 114 19.544 -0.241 5.482 913 HB1 ALA 114 HB1 ALA 114 18.311 -2.092 3.553 914 HB2 ALA 114 HB2 ALA 114 18.218 -2.570 5.249 915 HB3 ALA 114 HB3 ALA 114 19.787 -2.256 4.506 916 H ASP 115 HN ASP 115 16.647 -0.198 3.416 917 HA ASP 115 HA ASP 115 17.824 0.868 1.125 918 HB2 ASP 115 HB2 ASP 115 15.545 -0.084 1.196 919 HB3 ASP 115 HB1 ASP 115 15.002 1.309 2.127 920 H2 PRO 59 HT1 PRO 59 -29.062 -1.721 2.203 921 H3 PRO 59 HT2 PRO 59 -30.284 -2.018 3.265 922 HA PRO 59 HA PRO 59 -28.905 -2.792 4.561 923 HB2 PRO 59 HB2 PRO 59 -27.952 -5.080 3.052 924 HB3 PRO 59 HB1 PRO 59 -29.035 -5.036 4.449 925 HG2 PRO 59 HG2 PRO 59 -29.872 -5.676 1.940 926 HG3 PRO 59 HG1 PRO 59 -30.918 -4.915 3.153 927 HD2 PRO 59 HD2 PRO 59 -29.454 -3.653 0.853 928 HD3 PRO 59 HD1 PRO 59 -31.115 -3.376 1.412 929 H GLY 60 HN GLY 60 -27.354 -3.576 1.436 930 HA2 GLY 60 HA2 GLY 60 -25.234 -1.722 1.789 931 HA3 GLY 60 HA1 GLY 60 -24.718 -3.330 2.275 932 H GLU 61 HN GLU 61 -24.584 -1.247 -0.191 933 HA GLU 61 HA GLU 61 -24.744 -3.339 -2.257 934 HB2 GLU 61 HB2 GLU 61 -26.003 -0.956 -2.290 935 HB3 GLU 61 HB1 GLU 61 -24.489 -0.498 -3.058 936 HG2 GLU 61 HG2 GLU 61 -24.964 -2.641 -4.508 937 HG3 GLU 61 HG1 GLU 61 -26.626 -2.327 -4.010 938 H GLU 62 HN GLU 62 -22.760 -0.701 -0.998 939 HA GLU 62 HA GLU 62 -20.330 -2.013 -1.496 940 HB2 GLU 62 HB2 GLU 62 -20.839 -1.560 -3.849 941 HB3 GLU 62 HB1 GLU 62 -21.017 0.152 -3.491 942 HG2 GLU 62 HG2 GLU 62 -18.730 0.430 -3.107 943 HG3 GLU 62 HG1 GLU 62 -18.458 -1.304 -2.941 944 H GLU 63 HN GLU 63 -18.922 -1.192 -0.092 945 HA GLU 63 HA GLU 63 -19.373 1.551 0.877 946 HB2 GLU 63 HB2 GLU 63 -18.186 -0.864 2.240 947 HB3 GLU 63 HB1 GLU 63 -18.077 0.760 2.904 948 HG2 GLU 63 HG2 GLU 63 -19.920 0.015 4.001 949 HG3 GLU 63 HG1 GLU 63 -20.685 0.711 2.574 950 H ASP 64 HN ASP 64 -17.967 1.282 -1.470 951 HA ASP 64 HA ASP 64 -15.134 1.443 -0.770 952 HB2 ASP 64 HB2 ASP 64 -16.463 1.548 -3.487 953 HB3 ASP 64 HB1 ASP 64 -14.731 1.452 -3.185 954 H ASP 65 HN ASP 65 -16.773 3.505 0.235 955 HA ASP 65 HA ASP 65 -15.596 5.788 -1.082 956 HB2 ASP 65 HB2 ASP 65 -18.510 5.587 -0.371 957 HB3 ASP 65 HB1 ASP 65 -17.701 7.038 -0.961 958 H GLU 66 HN GLU 66 -17.814 6.811 0.943 959 HA GLU 66 HA GLU 66 -15.893 7.281 3.072 960 HB2 GLU 66 HB2 GLU 66 -17.557 8.894 3.928 961 HB3 GLU 66 HB1 GLU 66 -17.109 9.216 2.259 962 HG2 GLU 66 HG2 GLU 66 -19.170 8.741 1.465 963 HG3 GLU 66 HG1 GLU 66 -19.474 7.502 2.681 964 H ARG 67 HN ARG 67 -16.867 4.622 2.842 965 HA ARG 67 HA ARG 67 -18.122 4.370 5.444 966 HB2 ARG 67 HB2 ARG 67 -19.094 3.055 2.919 967 HB3 ARG 67 HB1 ARG 67 -19.523 2.465 4.519 968 HG2 ARG 67 HG2 ARG 67 -20.153 5.187 3.396 969 HG3 ARG 67 HG1 ARG 67 -21.288 3.853 3.620 970 HD2 ARG 67 HD2 ARG 67 -20.391 4.004 6.110 971 HD3 ARG 67 HD1 ARG 67 -20.055 5.666 5.627 972 HE ARG 67 HE ARG 67 -22.713 4.837 4.968 973 HH11 ARG 67 HH11 ARG 67 -20.688 6.064 7.531 974 HH12 ARG 67 HH12 ARG 67 -22.004 6.786 8.395 975 HH21 ARG 67 HH21 ARG 67 -24.446 5.786 6.102 976 HH22 ARG 67 HH22 ARG 67 -24.137 6.628 7.584 977 H GLY 68 HN GLY 68 -16.479 2.778 2.802 978 HA2 GLY 68 HA2 GLY 68 -15.136 1.065 4.758 979 HA3 GLY 68 HA1 GLY 68 -15.671 0.427 3.211 980 H ALA 69 HN ALA 69 -14.343 3.627 3.626 981 HA ALA 69 HA ALA 69 -11.678 2.902 2.838 982 HB1 ALA 69 HB1 ALA 69 -11.941 4.519 0.780 983 HB2 ALA 69 HB2 ALA 69 -13.621 3.990 0.862 984 HB3 ALA 69 HB3 ALA 69 -12.334 2.805 0.643 985 H ASP 70 HN ASP 70 -12.537 4.183 5.095 986 HA ASP 70 HA ASP 70 -11.232 6.754 4.831 987 HB2 ASP 70 HB2 ASP 70 -13.874 6.854 4.468 988 HB3 ASP 70 HB1 ASP 70 -13.856 6.879 6.228 989 H ALA 71 HN ALA 71 -10.122 4.744 6.118 990 HA ALA 71 HA ALA 71 -9.804 5.679 8.771 991 HB1 ALA 71 HB1 ALA 71 -11.322 3.081 8.478 992 HB2 ALA 71 HB2 ALA 71 -11.944 4.584 9.158 993 HB3 ALA 71 HB3 ALA 71 -10.659 3.707 9.996 994 H THR 72 HN THR 72 -7.972 5.296 6.827 995 HA THR 72 HA THR 72 -6.421 3.055 7.891 996 HB THR 72 HB THR 72 -5.628 2.862 5.367 997 HG1 THR 72 HG1 THR 72 -7.452 3.108 4.024 998 HG21 THR 72 HG21 THR 72 -6.645 1.096 6.817 999 HG22 THR 72 HG22 THR 72 -7.008 0.973 5.097 1000 HG23 THR 72 HG23 THR 72 -8.213 1.616 6.214 1001 H TRP 73 HN TRP 73 -6.481 6.306 6.849 1002 HA TRP 73 HA TRP 73 -3.597 6.400 6.460 1003 HB2 TRP 73 HB2 TRP 73 -5.300 8.859 6.496 1004 HB3 TRP 73 HB1 TRP 73 -3.862 8.511 5.545 1005 HD1 TRP 73 HD1 TRP 73 -6.751 9.551 4.421 1006 HE1 TRP 73 HE1 TRP 73 -7.851 8.222 2.514 1007 HE3 TRP 73 HE3 TRP 73 -4.291 5.136 5.000 1008 HZ2 TRP 73 HZ2 TRP 73 -7.684 5.634 1.410 1009 HZ3 TRP 73 HZ3 TRP 73 -4.808 3.273 3.489 1010 HH2 TRP 73 HH2 TRP 73 -6.479 3.506 1.743 1011 H ASP 74 HN ASP 74 -4.603 5.694 9.077 1012 HA ASP 74 HA ASP 74 -3.232 7.773 10.598 1013 HB2 ASP 74 HB2 ASP 74 -5.804 8.074 10.618 1014 HB3 ASP 74 HB1 ASP 74 -5.819 6.653 11.658 1015 H LEU 75 HN LEU 75 -3.420 4.602 9.845 1016 HA LEU 75 HA LEU 75 -2.406 3.782 12.476 1017 HB2 LEU 75 HB2 LEU 75 -2.962 1.409 11.638 1018 HB3 LEU 75 HB1 LEU 75 -4.251 2.418 12.257 1019 HG LEU 75 HG LEU 75 -4.905 1.150 10.255 1020 HD11 LEU 75 HD11 LEU 75 -5.003 3.787 9.094 1021 HD12 LEU 75 HD12 LEU 75 -5.372 3.820 10.813 1022 HD13 LEU 75 HD13 LEU 75 -6.309 2.794 9.729 1023 HD21 LEU 75 HD21 LEU 75 -2.766 2.782 8.915 1024 HD22 LEU 75 HD22 LEU 75 -4.000 1.862 8.057 1025 HD23 LEU 75 HD23 LEU 75 -2.818 1.026 9.073 1026 H ASP 76 HN ASP 76 -1.634 4.370 9.278 1027 HA ASP 76 HA ASP 76 0.474 2.453 9.064 1028 HB2 ASP 76 HB2 ASP 76 0.852 3.483 6.906 1029 HB3 ASP 76 HB1 ASP 76 -0.867 3.225 7.119 1030 H LEU 77 HN LEU 77 2.270 4.449 7.732 1031 HA LEU 77 HA LEU 77 4.145 5.598 8.321 1032 HB2 LEU 77 HB2 LEU 77 1.835 6.976 9.561 1033 HB3 LEU 77 HB1 LEU 77 3.431 7.476 10.106 1034 HG LEU 77 HG LEU 77 3.800 7.497 7.419 1035 HD11 LEU 77 HD11 LEU 77 1.594 8.930 6.847 1036 HD12 LEU 77 HD12 LEU 77 0.909 7.706 7.916 1037 HD13 LEU 77 HD13 LEU 77 1.786 7.218 6.465 1038 HD21 LEU 77 HD21 LEU 77 3.531 9.933 7.576 1039 HD22 LEU 77 HD22 LEU 77 4.420 9.270 8.948 1040 HD23 LEU 77 HD23 LEU 77 2.728 9.733 9.133 1041 H LEU 78 HN LEU 78 4.957 3.624 9.371 1042 HA LEU 78 HA LEU 78 6.097 4.179 11.876 1043 HB2 LEU 78 HB2 LEU 78 4.952 2.098 12.984 1044 HB3 LEU 78 HB1 LEU 78 4.212 3.684 13.073 1045 HG LEU 78 HG LEU 78 2.866 2.967 11.000 1046 HD11 LEU 78 HD11 LEU 78 3.920 0.309 11.939 1047 HD12 LEU 78 HD12 LEU 78 4.086 1.030 10.338 1048 HD13 LEU 78 HD13 LEU 78 2.503 0.498 10.906 1049 HD21 LEU 78 HD21 LEU 78 1.464 1.397 12.654 1050 HD22 LEU 78 HD22 LEU 78 1.498 3.155 12.791 1051 HD23 LEU 78 HD23 LEU 78 2.533 2.171 13.825 1052 H LEU 79 HN LEU 79 7.663 3.608 10.093 1053 HA LEU 79 HA LEU 79 8.037 0.696 9.897 1054 HB2 LEU 79 HB2 LEU 79 9.670 2.419 8.161 1055 HB3 LEU 79 HB1 LEU 79 8.817 0.934 7.792 1056 HG LEU 79 HG LEU 79 7.344 3.530 8.141 1057 HD11 LEU 79 HD11 LEU 79 8.870 4.087 6.444 1058 HD12 LEU 79 HD12 LEU 79 7.394 3.607 5.607 1059 HD13 LEU 79 HD13 LEU 79 8.756 2.490 5.704 1060 HD21 LEU 79 HD21 LEU 79 5.892 2.222 6.410 1061 HD22 LEU 79 HD22 LEU 79 5.795 1.829 8.127 1062 HD23 LEU 79 HD23 LEU 79 6.753 0.819 7.043 1063 H THR 80 HN THR 80 10.239 3.491 9.691 1064 HA THR 80 HA THR 80 11.838 2.317 11.823 1065 HB THR 80 HB THR 80 13.905 2.778 10.577 1066 HG1 THR 80 HG1 THR 80 13.062 4.441 9.239 1067 HG21 THR 80 HG21 THR 80 13.553 1.162 8.636 1068 HG22 THR 80 HG22 THR 80 11.907 0.991 9.246 1069 HG23 THR 80 HG23 THR 80 13.276 0.558 10.270 1070 H ASN 81 HN ASN 81 13.565 3.895 12.581 1071 HA ASN 81 HA ASN 81 12.373 6.583 12.683 1072 HB2 ASN 81 HB2 ASN 81 13.656 6.831 14.817 1073 HB3 ASN 81 HB1 ASN 81 12.444 5.554 14.862 1074 HD21 ASN 81 HD21 ASN 81 13.091 3.418 14.948 1075 HD22 ASN 81 HD22 ASN 81 14.713 2.955 15.321 1076 H PHE 82 HN PHE 82 14.312 8.168 13.504 1077 HA PHE 82 HA PHE 82 16.249 8.068 11.308 1078 HB2 PHE 82 HB2 PHE 82 14.683 10.097 11.886 1079 HB3 PHE 82 HB1 PHE 82 15.910 10.445 13.100 1080 HD1 PHE 82 HD1 PHE 82 15.242 10.164 9.498 1081 HD2 PHE 82 HD2 PHE 82 18.056 11.285 12.488 1082 HE1 PHE 82 HE1 PHE 82 16.608 11.285 7.786 1083 HE2 PHE 82 HE2 PHE 82 19.426 12.409 10.781 1084 HZ PHE 82 HZ PHE 82 18.703 12.410 8.427 1085 H SER 83 HN SER 83 16.520 6.453 13.732 1086 HA SER 83 HA SER 83 18.206 5.737 15.081 1087 HB2 SER 83 HB2 SER 83 20.139 7.846 14.340 1088 HB3 SER 83 HB1 SER 83 20.336 6.094 14.374 1089 HG SER 83 HG SER 83 19.344 5.960 12.387 1090 H GLY 84 HN GLY 84 18.846 9.244 14.931 1091 HA2 GLY 84 HA2 GLY 84 18.293 10.830 16.587 1092 HA3 GLY 84 HA1 GLY 84 17.911 9.515 17.688 1093 HA PRO 85 HA PRO 85 22.354 11.515 18.137 1094 HB2 PRO 85 HB2 PRO 85 21.046 12.524 20.619 1095 HB3 PRO 85 HB1 PRO 85 22.254 13.300 19.588 1096 HG2 PRO 85 HG2 PRO 85 19.706 14.062 19.498 1097 HG3 PRO 85 HG1 PRO 85 20.681 13.966 18.019 1098 HD2 PRO 85 HD2 PRO 85 18.568 12.113 19.024 1099 HD3 PRO 85 HD1 PRO 85 18.959 12.584 17.357 Start of MODEL 15 1 H2 PRO 1 HT1 PRO 1 -0.835 -18.628 3.301 2 H3 PRO 1 HT2 PRO 1 -2.111 -19.631 3.564 3 HA PRO 1 HA PRO 1 -2.704 -18.026 4.772 4 HB2 PRO 1 HB2 PRO 1 -1.503 -18.700 7.165 5 HB3 PRO 1 HB1 PRO 1 -2.881 -19.546 6.449 6 HG2 PRO 1 HG2 PRO 1 -0.229 -20.536 6.791 7 HG3 PRO 1 HG1 PRO 1 -1.586 -21.337 5.984 8 HD2 PRO 1 HD2 PRO 1 0.655 -19.753 4.805 9 HD3 PRO 1 HD1 PRO 1 -0.231 -21.133 4.125 10 H SER 2 HN SER 2 -0.370 -17.094 3.377 11 HA SER 2 HA SER 2 0.207 -14.774 4.873 12 HB2 SER 2 HB2 SER 2 1.700 -16.768 5.850 13 HB3 SER 2 HB1 SER 2 2.735 -16.301 4.501 14 HG SER 2 HG SER 2 2.455 -14.084 5.378 15 H HIS 3 HN HIS 3 1.372 -13.224 3.683 16 HA HIS 3 HA HIS 3 2.138 -12.164 1.833 17 HB2 HIS 3 HB2 HIS 3 2.793 -14.948 0.865 18 HB3 HIS 3 HB1 HIS 3 3.321 -13.462 0.086 19 HD1 HIS 3 HD1 HIS 3 3.471 -14.609 3.720 20 HD2 HIS 3 HD2 HIS 3 5.924 -13.141 0.704 21 HE1 HIS 3 HE1 HIS 3 5.749 -14.376 4.760 22 HE2 HIS 3 HE2 HIS 3 7.235 -13.569 2.893 23 H SER 4 HN SER 4 0.663 -15.124 0.586 24 HA SER 4 HA SER 4 -0.704 -13.633 -1.461 25 HB2 SER 4 HB2 SER 4 -1.617 -15.760 -2.199 26 HB3 SER 4 HB1 SER 4 0.118 -15.926 -1.909 27 HG SER 4 HG SER 4 -0.263 -17.166 -0.200 28 H GLY 5 HN GLY 5 -2.697 -12.916 -1.456 29 HA2 GLY 5 HA2 GLY 5 -4.742 -13.942 0.290 30 HA3 GLY 5 HA1 GLY 5 -4.163 -12.344 0.750 31 H ALA 6 HN ALA 6 -6.675 -12.207 0.187 32 HA ALA 6 HA ALA 6 -6.890 -11.570 -2.672 33 HB1 ALA 6 HB1 ALA 6 -9.014 -12.189 -0.633 34 HB2 ALA 6 HB2 ALA 6 -8.556 -13.138 -2.049 35 HB3 ALA 6 HB3 ALA 6 -9.361 -11.580 -2.253 36 H ALA 7 HN ALA 7 -7.466 -9.600 -3.376 37 HA ALA 7 HA ALA 7 -8.236 -7.522 -1.506 38 HB1 ALA 7 HB1 ALA 7 -5.653 -7.701 -1.676 39 HB2 ALA 7 HB2 ALA 7 -6.417 -6.115 -1.783 40 HB3 ALA 7 HB3 ALA 7 -5.879 -6.936 -3.249 41 H ILE 8 HN ILE 8 -8.870 -5.505 -2.629 42 HA ILE 8 HA ILE 8 -9.504 -5.976 -5.461 43 HB ILE 8 HB ILE 8 -11.416 -4.898 -3.390 44 HG12 ILE 8 HG12 ILE 8 -12.083 -7.196 -5.132 45 HG13 ILE 8 HG11 ILE 8 -10.868 -7.491 -3.892 46 HG21 ILE 8 HG21 ILE 8 -11.388 -4.815 -6.349 47 HG22 ILE 8 HG22 ILE 8 -12.084 -3.679 -5.192 48 HG23 ILE 8 HG23 ILE 8 -12.928 -5.181 -5.571 49 HD11 ILE 8 HD11 ILE 8 -12.742 -8.040 -2.737 50 HD12 ILE 8 HD12 ILE 8 -13.756 -6.898 -3.619 51 HD13 ILE 8 HD13 ILE 8 -12.666 -6.319 -2.359 52 H PHE 9 HN PHE 9 -9.558 -4.221 -6.786 53 HA PHE 9 HA PHE 9 -9.119 -1.563 -5.687 54 HB2 PHE 9 HB2 PHE 9 -6.857 -2.619 -6.024 55 HB3 PHE 9 HB1 PHE 9 -7.224 -2.712 -7.744 56 HD1 PHE 9 HD2 PHE 9 -8.011 -0.436 -8.804 57 HD2 PHE 9 HD1 PHE 9 -5.690 -0.795 -5.260 58 HE1 PHE 9 HE2 PHE 9 -7.186 1.864 -9.117 59 HE2 PHE 9 HE1 PHE 9 -4.864 1.505 -5.559 60 HZ PHE 9 HZ PHE 9 -5.611 2.837 -7.492 61 H GLU 10 HN GLU 10 -9.844 0.075 -7.022 62 HA GLU 10 HA GLU 10 -11.247 0.999 -8.559 63 HB2 GLU 10 HB2 GLU 10 -9.236 -0.532 -10.072 64 HB3 GLU 10 HB1 GLU 10 -10.686 -0.129 -10.976 65 HG2 GLU 10 HG2 GLU 10 -10.369 2.178 -10.667 66 HG3 GLU 10 HG1 GLU 10 -9.139 1.919 -9.431 67 H LYS 11 HN LYS 11 -12.366 -1.144 -7.149 68 HA LYS 11 HA LYS 11 -14.228 -2.444 -7.142 69 HB2 LYS 11 HB2 LYS 11 -15.008 -1.763 -9.921 70 HB3 LYS 11 HB1 LYS 11 -15.975 -1.781 -8.454 71 HG2 LYS 11 HG2 LYS 11 -14.619 0.323 -7.811 72 HG3 LYS 11 HG1 LYS 11 -14.216 0.388 -9.529 73 HD2 LYS 11 HD2 LYS 11 -17.071 0.013 -8.812 74 HD3 LYS 11 HD1 LYS 11 -16.363 1.600 -8.508 75 HE2 LYS 11 HE2 LYS 11 -15.773 0.400 -11.138 76 HE3 LYS 11 HE1 LYS 11 -17.452 0.864 -10.862 77 HZ1 LYS 11 HZ1 LYS 11 -16.678 3.092 -10.270 78 HZ2 LYS 11 HZ2 LYS 11 -16.225 2.676 -11.846 79 HZ3 LYS 11 HZ3 LYS 11 -15.082 2.636 -10.600 80 H VAL 12 HN VAL 12 -11.603 -3.234 -8.564 81 HA VAL 12 HA VAL 12 -12.714 -5.553 -10.015 82 HB VAL 12 HB VAL 12 -9.905 -4.517 -10.360 83 HG11 VAL 12 HG11 VAL 12 -11.266 -5.866 -12.570 84 HG12 VAL 12 HG12 VAL 12 -11.070 -6.866 -11.130 85 HG13 VAL 12 HG13 VAL 12 -9.659 -6.132 -11.893 86 HG21 VAL 12 HG21 VAL 12 -12.434 -3.570 -11.617 87 HG22 VAL 12 HG22 VAL 12 -10.977 -3.660 -12.607 88 HG23 VAL 12 HG23 VAL 12 -10.995 -2.662 -11.153 89 H SER 13 HN SER 13 -12.503 -7.421 -8.951 90 HA SER 13 HA SER 13 -10.729 -7.546 -6.674 91 HB2 SER 13 HB2 SER 13 -11.770 -9.764 -6.268 92 HB3 SER 13 HB1 SER 13 -12.950 -8.459 -6.389 93 HG SER 13 HG SER 13 -12.291 -10.393 -8.354 94 H GLY 14 HN GLY 14 -9.263 -9.207 -6.267 95 HA2 GLY 14 HA2 GLY 14 -8.332 -11.022 -8.245 96 HA3 GLY 14 HA1 GLY 14 -7.321 -9.582 -8.193 97 H ILE 15 HN ILE 15 -5.864 -11.601 -7.590 98 HA ILE 15 HA ILE 15 -5.962 -11.953 -4.669 99 HB ILE 15 HB ILE 15 -4.219 -13.584 -6.499 100 HG12 ILE 15 HG12 ILE 15 -6.271 -15.271 -6.038 101 HG13 ILE 15 HG11 ILE 15 -7.157 -13.751 -6.112 102 HG21 ILE 15 HG21 ILE 15 -3.601 -13.909 -4.267 103 HG22 ILE 15 HG22 ILE 15 -4.684 -15.260 -4.601 104 HG23 ILE 15 HG23 ILE 15 -5.274 -13.862 -3.704 105 HD11 ILE 15 HD11 ILE 15 -7.165 -13.953 -8.312 106 HD12 ILE 15 HD12 ILE 15 -6.080 -15.341 -8.238 107 HD13 ILE 15 HD13 ILE 15 -5.419 -13.707 -8.294 108 H ILE 16 HN ILE 16 -4.373 -11.231 -3.439 109 HA ILE 16 HA ILE 16 -2.222 -9.721 -4.732 110 HB ILE 16 HB ILE 16 -3.709 -8.441 -3.301 111 HG12 ILE 16 HG12 ILE 16 -1.178 -8.691 -1.713 112 HG13 ILE 16 HG11 ILE 16 -1.141 -8.077 -3.364 113 HG21 ILE 16 HG21 ILE 16 -3.733 -8.872 -0.844 114 HG22 ILE 16 HG22 ILE 16 -2.932 -10.408 -1.165 115 HG23 ILE 16 HG23 ILE 16 -4.542 -10.100 -1.820 116 HD11 ILE 16 HD11 ILE 16 -3.116 -6.568 -2.371 117 HD12 ILE 16 HD12 ILE 16 -1.413 -6.106 -2.316 118 HD13 ILE 16 HD13 ILE 16 -2.174 -6.838 -0.901 119 H ALA 17 HN ALA 17 -0.158 -10.425 -4.558 120 HA ALA 17 HA ALA 17 0.518 -12.266 -2.359 121 HB1 ALA 17 HB1 ALA 17 1.590 -13.792 -3.796 122 HB2 ALA 17 HB2 ALA 17 1.492 -12.684 -5.167 123 HB3 ALA 17 HB3 ALA 17 0.028 -13.446 -4.541 124 H ILE 18 HN ILE 18 2.575 -12.167 -1.555 125 HA ILE 18 HA ILE 18 4.157 -9.827 -2.320 126 HB ILE 18 HB ILE 18 4.721 -11.692 -0.023 127 HG12 ILE 18 HG12 ILE 18 2.486 -10.963 0.379 128 HG13 ILE 18 HG11 ILE 18 3.529 -9.958 1.380 129 HG21 ILE 18 HG21 ILE 18 5.751 -9.587 0.901 130 HG22 ILE 18 HG22 ILE 18 5.524 -8.874 -0.696 131 HG23 ILE 18 HG23 ILE 18 6.562 -10.287 -0.500 132 HD11 ILE 18 HD11 ILE 18 1.923 -9.239 -1.012 133 HD12 ILE 18 HD12 ILE 18 3.399 -8.337 -0.672 134 HD13 ILE 18 HD13 ILE 18 2.106 -8.396 0.526 135 H ASN 19 HN ASN 19 6.283 -9.935 -2.975 136 HA ASN 19 HA ASN 19 7.327 -12.612 -3.649 137 HB2 ASN 19 HB2 ASN 19 6.509 -10.858 -5.510 138 HB3 ASN 19 HB1 ASN 19 8.159 -10.284 -5.289 139 HD21 ASN 19 HD21 ASN 19 6.161 -12.960 -6.276 140 HD22 ASN 19 HD22 ASN 19 7.396 -13.831 -7.113 141 H GLU 20 HN GLU 20 8.961 -13.044 -2.373 142 HA GLU 20 HA GLU 20 10.872 -10.895 -1.763 143 HB2 GLU 20 HB2 GLU 20 9.500 -12.175 0.112 144 HB3 GLU 20 HB1 GLU 20 10.757 -13.384 -0.116 145 HG2 GLU 20 HG2 GLU 20 12.411 -12.020 0.702 146 HG3 GLU 20 HG1 GLU 20 11.534 -10.541 0.311 147 H ASP 21 HN ASP 21 10.752 -12.575 -4.101 148 HA ASP 21 HA ASP 21 13.160 -14.231 -3.791 149 HB2 ASP 21 HB2 ASP 21 10.833 -14.286 -5.657 150 HB3 ASP 21 HB1 ASP 21 12.384 -14.873 -6.251 151 H VAL 22 HN VAL 22 11.962 -11.324 -5.204 152 HA VAL 22 HA VAL 22 14.349 -11.083 -6.904 153 HB VAL 22 HB VAL 22 12.842 -8.796 -7.341 154 HG11 VAL 22 HG11 VAL 22 12.700 -9.552 -9.512 155 HG12 VAL 22 HG12 VAL 22 12.438 -11.227 -9.024 156 HG13 VAL 22 HG13 VAL 22 14.043 -10.508 -8.886 157 HG21 VAL 22 HG21 VAL 22 10.950 -11.140 -7.209 158 HG22 VAL 22 HG22 VAL 22 10.573 -9.508 -7.761 159 HG23 VAL 22 HG23 VAL 22 10.975 -9.795 -6.068 160 H SER 23 HN SER 23 15.316 -8.817 -6.991 161 HA SER 23 HA SER 23 16.454 -8.151 -4.577 162 HB2 SER 23 HB2 SER 23 16.224 -6.830 -7.201 163 HB3 SER 23 HB1 SER 23 16.557 -5.748 -5.850 164 HG SER 23 HG SER 23 18.059 -8.003 -6.680 165 HA PRO 24 HA PRO 24 13.301 -4.733 -3.646 166 HB2 PRO 24 HB2 PRO 24 11.464 -3.964 -5.432 167 HB3 PRO 24 HB1 PRO 24 13.128 -3.361 -5.510 168 HG2 PRO 24 HG2 PRO 24 11.813 -5.507 -7.125 169 HG3 PRO 24 HG1 PRO 24 12.954 -4.255 -7.646 170 HD2 PRO 24 HD2 PRO 24 13.650 -6.868 -7.108 171 HD3 PRO 24 HD1 PRO 24 14.771 -5.494 -7.034 172 H ALA 25 HN ALA 25 12.568 -6.551 -2.387 173 HA ALA 25 HA ALA 25 10.690 -8.439 -3.018 174 HB1 ALA 25 HB1 ALA 25 11.124 -8.897 -0.889 175 HB2 ALA 25 HB2 ALA 25 9.930 -7.669 -0.465 176 HB3 ALA 25 HB3 ALA 25 11.640 -7.242 -0.565 177 H GLU 26 HN GLU 26 9.106 -7.844 -4.346 178 HA GLU 26 HA GLU 26 7.247 -5.762 -3.433 179 HB2 GLU 26 HB2 GLU 26 6.651 -5.592 -5.892 180 HB3 GLU 26 HB1 GLU 26 8.235 -4.984 -5.405 181 HG2 GLU 26 HG2 GLU 26 9.326 -6.493 -6.646 182 HG3 GLU 26 HG1 GLU 26 8.219 -7.798 -6.219 183 H LEU 27 HN LEU 27 4.997 -6.028 -4.436 184 HA LEU 27 HA LEU 27 4.209 -8.829 -4.427 185 HB2 LEU 27 HB2 LEU 27 2.787 -8.588 -2.695 186 HB3 LEU 27 HB1 LEU 27 3.794 -7.218 -2.291 187 HG LEU 27 HG LEU 27 1.235 -7.043 -3.882 188 HD11 LEU 27 HD11 LEU 27 0.553 -7.662 -1.736 189 HD12 LEU 27 HD12 LEU 27 0.452 -5.901 -1.733 190 HD13 LEU 27 HD13 LEU 27 1.816 -6.707 -0.960 191 HD21 LEU 27 HD21 LEU 27 3.262 -5.277 -3.920 192 HD22 LEU 27 HD22 LEU 27 2.385 -4.706 -2.501 193 HD23 LEU 27 HD23 LEU 27 1.565 -4.819 -4.058 194 H THR 28 HN THR 28 2.593 -9.362 -5.875 195 HA THR 28 HA THR 28 1.587 -7.100 -7.451 196 HB THR 28 HB THR 28 2.439 -9.798 -8.442 197 HG1 THR 28 HG1 THR 28 4.186 -8.563 -8.408 198 HG21 THR 28 HG21 THR 28 0.416 -9.121 -9.633 199 HG22 THR 28 HG22 THR 28 1.843 -9.102 -10.671 200 HG23 THR 28 HG23 THR 28 1.191 -7.590 -10.039 201 H TRP 29 HN TRP 29 -0.402 -7.181 -8.274 202 HA TRP 29 HA TRP 29 -2.267 -8.978 -6.887 203 HB2 TRP 29 HB2 TRP 29 -2.396 -6.531 -6.450 204 HB3 TRP 29 HB1 TRP 29 -2.733 -6.272 -8.156 205 HD1 TRP 29 HD1 TRP 29 -4.332 -7.894 -5.042 206 HE1 TRP 29 HE1 TRP 29 -6.885 -7.840 -5.357 207 HE3 TRP 29 HE3 TRP 29 -4.501 -6.091 -9.819 208 HZ2 TRP 29 HZ2 TRP 29 -8.725 -7.127 -7.364 209 HZ3 TRP 29 HZ3 TRP 29 -6.717 -5.758 -10.864 210 HH2 TRP 29 HH2 TRP 29 -8.776 -6.266 -9.663 211 H ARG 30 HN ARG 30 -3.746 -10.176 -8.054 212 HA ARG 30 HA ARG 30 -3.759 -9.819 -10.976 213 HB2 ARG 30 HB2 ARG 30 -2.319 -11.783 -10.005 214 HB3 ARG 30 HB1 ARG 30 -3.878 -12.571 -9.802 215 HG2 ARG 30 HG2 ARG 30 -4.191 -11.881 -12.317 216 HG3 ARG 30 HG1 ARG 30 -2.427 -11.844 -12.293 217 HD2 ARG 30 HD2 ARG 30 -3.891 -14.200 -11.179 218 HD3 ARG 30 HD1 ARG 30 -3.672 -14.043 -12.922 219 HE ARG 30 HE ARG 30 -1.719 -14.854 -11.047 220 HH11 ARG 30 HH11 ARG 30 -2.092 -12.939 -13.941 221 HH12 ARG 30 HH12 ARG 30 -0.456 -13.172 -14.456 222 HH21 ARG 30 HH21 ARG 30 0.434 -15.160 -11.723 223 HH22 ARG 30 HH22 ARG 30 0.979 -14.433 -13.197 224 H SER 31 HN SER 31 -5.756 -9.476 -11.687 225 HA SER 31 HA SER 31 -8.042 -9.792 -10.065 226 HB2 SER 31 HB2 SER 31 -7.442 -8.495 -12.448 227 HB3 SER 31 HB1 SER 31 -8.638 -9.702 -12.912 228 HG SER 31 HG SER 31 -9.009 -8.019 -10.673 229 H THR 32 HN THR 32 -9.914 -11.125 -10.486 230 HA THR 32 HA THR 32 -9.140 -13.810 -11.368 231 HB THR 32 HB THR 32 -11.492 -14.263 -10.202 232 HG1 THR 32 HG1 THR 32 -12.146 -12.714 -8.953 233 HG21 THR 32 HG21 THR 32 -10.211 -15.361 -8.783 234 HG22 THR 32 HG22 THR 32 -9.760 -13.848 -7.997 235 HG23 THR 32 HG23 THR 32 -8.808 -14.456 -9.352 236 H ASP 33 HN ASP 33 -11.476 -11.281 -11.850 237 HA ASP 33 HA ASP 33 -12.555 -12.731 -14.141 238 HB2 ASP 33 HB2 ASP 33 -14.062 -12.084 -12.085 239 HB3 ASP 33 HB1 ASP 33 -14.077 -10.504 -12.863 240 H GLY 34 HN GLY 34 -11.090 -9.826 -13.015 241 HA2 GLY 34 HA2 GLY 34 -11.707 -8.265 -15.357 242 HA3 GLY 34 HA1 GLY 34 -10.605 -7.818 -14.064 243 H ASP 35 HN ASP 35 -9.509 -10.741 -14.752 244 HA ASP 35 HA ASP 35 -7.654 -11.517 -15.804 245 HB2 ASP 35 HB2 ASP 35 -9.476 -11.191 -17.661 246 HB3 ASP 35 HB1 ASP 35 -8.387 -9.929 -18.229 247 H LYS 36 HN LYS 36 -7.509 -8.853 -14.446 248 HA LYS 36 HA LYS 36 -5.245 -7.707 -15.935 249 HB2 LYS 36 HB2 LYS 36 -5.617 -5.643 -14.728 250 HB3 LYS 36 HB1 LYS 36 -7.107 -6.148 -15.509 251 HG2 LYS 36 HG2 LYS 36 -8.038 -6.869 -13.448 252 HG3 LYS 36 HG1 LYS 36 -6.491 -6.687 -12.618 253 HD2 LYS 36 HD2 LYS 36 -7.919 -4.384 -13.924 254 HD3 LYS 36 HD1 LYS 36 -8.195 -4.846 -12.243 255 HE2 LYS 36 HE2 LYS 36 -6.260 -3.946 -11.562 256 HE3 LYS 36 HE1 LYS 36 -5.369 -4.602 -12.935 257 HZ1 LYS 36 HZ1 LYS 36 -5.258 -2.322 -13.239 258 HZ2 LYS 36 HZ2 LYS 36 -6.855 -2.060 -12.748 259 HZ3 LYS 36 HZ3 LYS 36 -6.539 -2.765 -14.252 260 H VAL 37 HN VAL 37 -3.484 -6.804 -14.561 261 HA VAL 37 HA VAL 37 -3.155 -8.128 -11.983 262 HB VAL 37 HB VAL 37 -1.014 -8.368 -14.093 263 HG11 VAL 37 HG11 VAL 37 -0.387 -8.413 -11.659 264 HG12 VAL 37 HG12 VAL 37 0.065 -9.847 -12.581 265 HG13 VAL 37 HG13 VAL 37 -1.341 -9.889 -11.517 266 HG21 VAL 37 HG21 VAL 37 -2.738 -9.713 -14.946 267 HG22 VAL 37 HG22 VAL 37 -3.209 -10.275 -13.342 268 HG23 VAL 37 HG23 VAL 37 -1.696 -10.827 -14.061 269 H HIS 38 HN HIS 38 -2.282 -6.753 -10.542 270 HA HIS 38 HA HIS 38 -0.741 -4.474 -11.602 271 HB2 HIS 38 HB2 HIS 38 -2.956 -3.869 -10.620 272 HB3 HIS 38 HB1 HIS 38 -2.406 -4.517 -9.079 273 HD1 HIS 38 HD1 HIS 38 -2.024 -2.548 -7.627 274 HD2 HIS 38 HD2 HIS 38 -0.527 -1.964 -11.459 275 HE1 HIS 38 HE1 HIS 38 -0.856 -0.322 -7.561 276 HE2 HIS 38 HE2 HIS 38 0.116 -0.030 -9.867 277 H THR 39 HN THR 39 1.305 -4.824 -11.243 278 HA THR 39 HA THR 39 2.271 -6.231 -8.839 279 HB THR 39 HB THR 39 3.665 -5.239 -11.353 280 HG1 THR 39 HG1 THR 39 2.639 -7.036 -11.917 281 HG21 THR 39 HG21 THR 39 4.845 -5.894 -8.862 282 HG22 THR 39 HG22 THR 39 5.629 -5.504 -10.393 283 HG23 THR 39 HG23 THR 39 5.218 -7.177 -10.013 284 H VAL 40 HN VAL 40 2.435 -4.868 -7.102 285 HA VAL 40 HA VAL 40 3.375 -2.123 -7.554 286 HB VAL 40 HB VAL 40 2.311 -3.299 -4.986 287 HG11 VAL 40 HG11 VAL 40 2.548 -1.264 -4.055 288 HG12 VAL 40 HG12 VAL 40 2.105 -0.420 -5.539 289 HG13 VAL 40 HG13 VAL 40 3.747 -1.029 -5.328 290 HG21 VAL 40 HG21 VAL 40 0.923 -2.285 -7.377 291 HG22 VAL 40 HG22 VAL 40 0.349 -1.650 -5.836 292 HG23 VAL 40 HG23 VAL 40 0.364 -3.390 -6.122 293 H VAL 41 HN VAL 41 5.537 -1.900 -7.469 294 HA VAL 41 HA VAL 41 7.175 -3.775 -6.126 295 HB VAL 41 HB VAL 41 8.009 -2.560 -8.084 296 HG11 VAL 41 HG11 VAL 41 8.110 -0.333 -8.250 297 HG12 VAL 41 HG12 VAL 41 8.749 -0.149 -6.617 298 HG13 VAL 41 HG13 VAL 41 7.013 -0.319 -6.870 299 HG21 VAL 41 HG21 VAL 41 9.397 -3.314 -5.827 300 HG22 VAL 41 HG22 VAL 41 9.966 -1.667 -6.105 301 HG23 VAL 41 HG23 VAL 41 10.115 -2.876 -7.379 302 H LEU 42 HN LEU 42 6.951 -3.953 -4.019 303 HA LEU 42 HA LEU 42 6.286 -2.093 -2.121 304 HB2 LEU 42 HB2 LEU 42 7.879 -4.589 -2.120 305 HB3 LEU 42 HB1 LEU 42 7.952 -3.598 -0.681 306 HG LEU 42 HG LEU 42 5.657 -3.898 -0.216 307 HD11 LEU 42 HD11 LEU 42 5.466 -4.700 -3.080 308 HD12 LEU 42 HD12 LEU 42 4.470 -3.577 -2.155 309 HD13 LEU 42 HD13 LEU 42 4.285 -5.316 -1.925 310 HD21 LEU 42 HD21 LEU 42 7.368 -6.093 -0.495 311 HD22 LEU 42 HD22 LEU 42 5.813 -6.623 -1.143 312 HD23 LEU 42 HD23 LEU 42 5.916 -5.984 0.498 313 H SER 43 HN SER 43 9.273 -2.439 -3.821 314 HA SER 43 HA SER 43 11.064 -1.210 -2.083 315 HB2 SER 43 HB2 SER 43 11.210 -2.203 -4.643 316 HB3 SER 43 HB1 SER 43 11.447 -0.475 -4.897 317 HG SER 43 HG SER 43 13.233 -0.524 -3.637 318 H THR 44 HN THR 44 9.337 0.267 -4.776 319 HA THR 44 HA THR 44 9.918 2.920 -4.063 320 HB THR 44 HB THR 44 8.141 3.483 -5.662 321 HG1 THR 44 HG1 THR 44 6.596 1.988 -5.376 322 HG21 THR 44 HG21 THR 44 10.076 1.362 -6.466 323 HG22 THR 44 HG22 THR 44 10.109 3.091 -6.814 324 HG23 THR 44 HG23 THR 44 8.938 2.051 -7.624 325 H ILE 45 HN ILE 45 7.690 0.586 -2.867 326 HA ILE 45 HA ILE 45 5.788 2.475 -1.808 327 HB ILE 45 HB ILE 45 6.200 -0.431 -1.090 328 HG12 ILE 45 HG12 ILE 45 5.629 -0.209 -3.431 329 HG13 ILE 45 HG11 ILE 45 4.214 -0.787 -2.558 330 HG21 ILE 45 HG21 ILE 45 3.940 1.471 -0.490 331 HG22 ILE 45 HG22 ILE 45 5.017 0.695 0.672 332 HG23 ILE 45 HG23 ILE 45 3.866 -0.274 -0.248 333 HD11 ILE 45 HD11 ILE 45 3.618 0.894 -4.205 334 HD12 ILE 45 HD12 ILE 45 4.708 2.048 -3.438 335 HD13 ILE 45 HD13 ILE 45 3.287 1.467 -2.571 336 H ASP 46 HN ASP 46 6.327 3.826 -0.237 337 HA ASP 46 HA ASP 46 8.287 2.997 1.773 338 HB2 ASP 46 HB2 ASP 46 8.358 5.222 0.403 339 HB3 ASP 46 HB1 ASP 46 7.162 5.769 1.575 340 H LYS 47 HN LYS 47 5.018 2.879 1.464 341 HA LYS 47 HA LYS 47 4.679 2.899 4.359 342 HB2 LYS 47 HB2 LYS 47 3.577 4.905 2.571 343 HB3 LYS 47 HB1 LYS 47 2.318 4.069 3.471 344 HG2 LYS 47 HG2 LYS 47 2.810 5.814 4.874 345 HG3 LYS 47 HG1 LYS 47 3.846 4.540 5.522 346 HD2 LYS 47 HD2 LYS 47 5.742 5.596 4.907 347 HD3 LYS 47 HD1 LYS 47 5.051 6.168 3.388 348 HE2 LYS 47 HE2 LYS 47 4.357 8.121 4.286 349 HE3 LYS 47 HE1 LYS 47 3.944 7.382 5.833 350 HZ1 LYS 47 HZ1 LYS 47 5.744 8.575 6.466 351 HZ2 LYS 47 HZ2 LYS 47 6.472 8.534 4.940 352 HZ3 LYS 47 HZ3 LYS 47 6.562 7.184 5.955 353 H LEU 48 HN LEU 48 3.119 1.550 5.123 354 HA LEU 48 HA LEU 48 1.250 0.226 3.366 355 HB2 LEU 48 HB2 LEU 48 3.224 -1.133 2.983 356 HB3 LEU 48 HB1 LEU 48 3.481 -1.303 4.709 357 HG LEU 48 HG LEU 48 0.844 -2.235 3.980 358 HD11 LEU 48 HD11 LEU 48 1.816 -4.319 2.819 359 HD12 LEU 48 HD12 LEU 48 3.175 -3.270 2.414 360 HD13 LEU 48 HD13 LEU 48 1.551 -2.862 1.861 361 HD21 LEU 48 HD21 LEU 48 1.743 -4.314 5.065 362 HD22 LEU 48 HD22 LEU 48 1.830 -2.854 6.050 363 HD23 LEU 48 HD23 LEU 48 3.279 -3.466 5.252 364 H GLN 49 HN GLN 49 -0.592 0.268 4.533 365 HA GLN 49 HA GLN 49 -0.419 -0.442 7.378 366 HB2 GLN 49 HB2 GLN 49 -2.193 1.812 6.505 367 HB3 GLN 49 HB1 GLN 49 -1.615 1.423 8.118 368 HG2 GLN 49 HG2 GLN 49 -0.334 3.246 7.631 369 HG3 GLN 49 HG1 GLN 49 0.726 1.948 7.082 370 HE21 GLN 49 HE21 GLN 49 -1.214 4.640 6.165 371 HE22 GLN 49 HE22 GLN 49 -0.777 4.665 4.494 372 H ALA 50 HN ALA 50 -1.987 -1.699 8.128 373 HA ALA 50 HA ALA 50 -4.258 -2.318 6.356 374 HB1 ALA 50 HB1 ALA 50 -4.435 -4.424 7.722 375 HB2 ALA 50 HB2 ALA 50 -2.903 -3.982 8.472 376 HB3 ALA 50 HB3 ALA 50 -2.977 -4.296 6.740 377 H THR 51 HN THR 51 -6.317 -2.874 7.589 378 HA THR 51 HA THR 51 -6.790 -0.738 9.437 379 HB THR 51 HB THR 51 -9.089 -2.242 9.484 380 HG1 THR 51 HG1 THR 51 -9.344 -2.755 7.215 381 HG21 THR 51 HG21 THR 51 -9.978 -0.659 7.906 382 HG22 THR 51 HG22 THR 51 -8.352 -0.187 7.402 383 HG23 THR 51 HG23 THR 51 -8.913 0.170 9.035 384 HA PRO 52 HA PRO 52 -6.251 -3.127 13.144 385 HB2 PRO 52 HB2 PRO 52 -6.316 -1.111 14.833 386 HB3 PRO 52 HB1 PRO 52 -5.072 -1.141 13.574 387 HG2 PRO 52 HG2 PRO 52 -7.596 0.451 13.707 388 HG3 PRO 52 HG1 PRO 52 -6.003 0.928 13.098 389 HD2 PRO 52 HD2 PRO 52 -8.184 -0.009 11.567 390 HD3 PRO 52 HD1 PRO 52 -6.517 0.209 11.009 391 H ALA 53 HN ALA 53 -7.338 -3.469 15.239 392 HA ALA 53 HA ALA 53 -9.945 -4.221 15.123 393 HB1 ALA 53 HB1 ALA 53 -8.798 -4.974 16.984 394 HB2 ALA 53 HB2 ALA 53 -9.930 -3.813 17.679 395 HB3 ALA 53 HB3 ALA 53 -8.245 -3.358 17.424 396 H SER 54 HN SER 54 -8.854 -0.977 15.181 397 HA SER 54 HA SER 54 -10.963 0.367 16.440 398 HB2 SER 54 HB2 SER 54 -8.782 1.354 15.650 399 HB3 SER 54 HB1 SER 54 -9.442 1.273 14.013 400 HG SER 54 HG SER 54 -10.903 2.809 14.511 401 H SER 55 HN SER 55 -10.597 -1.036 13.325 402 HA SER 55 HA SER 55 -13.434 -0.573 12.780 403 HB2 SER 55 HB2 SER 55 -11.128 0.419 11.261 404 HB3 SER 55 HB1 SER 55 -12.354 -0.386 10.283 405 HG SER 55 HG SER 55 -13.878 1.037 11.506 406 H GLU 56 HN GLU 56 -14.380 -2.491 12.433 407 HA GLU 56 HA GLU 56 -13.023 -4.908 12.093 408 HB2 GLU 56 HB2 GLU 56 -15.391 -4.735 12.804 409 HB3 GLU 56 HB1 GLU 56 -15.828 -4.225 11.179 410 HG2 GLU 56 HG2 GLU 56 -14.509 -6.555 10.689 411 HG3 GLU 56 HG1 GLU 56 -15.285 -6.895 12.236 412 H LYS 57 HN LYS 57 -13.793 -2.398 9.908 413 HA LYS 57 HA LYS 57 -13.880 -3.618 7.436 414 HB2 LYS 57 HB2 LYS 57 -12.505 -0.993 8.055 415 HB3 LYS 57 HB1 LYS 57 -13.250 -1.475 6.533 416 HG2 LYS 57 HG2 LYS 57 -15.150 -0.560 7.194 417 HG3 LYS 57 HG1 LYS 57 -15.232 -1.712 8.524 418 HD2 LYS 57 HD2 LYS 57 -14.327 -0.231 10.040 419 HD3 LYS 57 HD1 LYS 57 -13.505 0.707 8.792 420 HE2 LYS 57 HE2 LYS 57 -15.514 1.788 9.921 421 HE3 LYS 57 HE1 LYS 57 -15.482 1.800 8.158 422 HZ1 LYS 57 HZ1 LYS 57 -17.660 1.185 9.065 423 HZ2 LYS 57 HZ2 LYS 57 -16.971 -0.167 9.813 424 HZ3 LYS 57 HZ3 LYS 57 -16.995 -0.056 8.126 425 H MET 58 HN MET 58 -12.436 -4.545 6.123 426 HA MET 58 HA MET 58 -9.643 -4.677 7.032 427 HB2 MET 58 HB2 MET 58 -9.646 -6.627 5.279 428 HB3 MET 58 HB1 MET 58 -10.314 -6.876 6.886 429 HG2 MET 58 HG2 MET 58 -12.157 -5.945 4.769 430 HG3 MET 58 HG1 MET 58 -11.582 -7.608 4.682 431 HE1 MET 58 HE1 MET 58 -14.339 -8.445 5.035 432 HE2 MET 58 HE2 MET 58 -14.472 -6.696 4.811 433 HE3 MET 58 HE3 MET 58 -15.306 -7.481 6.153 434 H MET 59 HN MET 59 -8.142 -3.627 5.900 435 HA MET 59 HA MET 59 -8.234 -3.405 3.049 436 HB2 MET 59 HB2 MET 59 -8.336 -0.907 3.022 437 HB3 MET 59 HB1 MET 59 -9.843 -1.678 3.505 438 HG2 MET 59 HG2 MET 59 -8.501 -1.307 5.885 439 HG3 MET 59 HG1 MET 59 -8.138 0.152 4.969 440 HE1 MET 59 HE1 MET 59 -9.180 1.456 6.869 441 HE2 MET 59 HE2 MET 59 -10.848 1.995 6.709 442 HE3 MET 59 HE3 MET 59 -9.709 2.251 5.389 443 H LEU 60 HN LEU 60 -6.255 -2.953 2.209 444 HA LEU 60 HA LEU 60 -4.131 -2.240 4.123 445 HB2 LEU 60 HB2 LEU 60 -4.315 -4.342 2.108 446 HB3 LEU 60 HB1 LEU 60 -2.873 -3.363 1.915 447 HG LEU 60 HG LEU 60 -3.683 -4.880 4.398 448 HD11 LEU 60 HD11 LEU 60 -1.418 -5.287 2.448 449 HD12 LEU 60 HD12 LEU 60 -2.821 -6.335 2.659 450 HD13 LEU 60 HD13 LEU 60 -1.638 -6.172 3.960 451 HD21 LEU 60 HD21 LEU 60 -1.566 -2.844 3.882 452 HD22 LEU 60 HD22 LEU 60 -1.249 -4.164 5.008 453 HD23 LEU 60 HD23 LEU 60 -2.598 -3.064 5.295 454 H ARG 61 HN ARG 61 -3.137 -0.354 3.773 455 HA ARG 61 HA ARG 61 -3.437 0.888 1.115 456 HB2 ARG 61 HB2 ARG 61 -4.737 2.063 2.806 457 HB3 ARG 61 HB1 ARG 61 -3.315 2.211 3.830 458 HG2 ARG 61 HG2 ARG 61 -2.391 3.391 1.605 459 HG3 ARG 61 HG1 ARG 61 -4.110 3.758 1.451 460 HD2 ARG 61 HD2 ARG 61 -3.336 4.217 4.149 461 HD3 ARG 61 HD1 ARG 61 -2.166 5.013 3.098 462 HE ARG 61 HE ARG 61 -4.796 5.871 3.616 463 HH11 ARG 61 HH11 ARG 61 -2.533 5.553 0.977 464 HH12 ARG 61 HH12 ARG 61 -3.217 6.858 0.069 465 HH21 ARG 61 HH21 ARG 61 -5.697 7.588 2.421 466 HH22 ARG 61 HH22 ARG 61 -5.013 8.014 0.887 467 H LEU 62 HN LEU 62 -1.669 1.605 0.096 468 HA LEU 62 HA LEU 62 0.853 1.762 1.588 469 HB2 LEU 62 HB2 LEU 62 1.560 0.924 -0.983 470 HB3 LEU 62 HB1 LEU 62 1.670 0.001 0.501 471 HG LEU 62 HG LEU 62 -0.933 0.011 -0.953 472 HD11 LEU 62 HD11 LEU 62 1.596 -0.995 -2.037 473 HD12 LEU 62 HD12 LEU 62 0.069 -0.645 -2.846 474 HD13 LEU 62 HD13 LEU 62 0.288 -2.178 -2.002 475 HD21 LEU 62 HD21 LEU 62 -1.333 -1.896 0.214 476 HD22 LEU 62 HD22 LEU 62 -0.169 -1.157 1.314 477 HD23 LEU 62 HD23 LEU 62 0.356 -2.403 0.182 478 H ILE 63 HN ILE 63 2.326 3.308 0.860 479 HA ILE 63 HA ILE 63 1.375 5.067 -1.295 480 HB ILE 63 HB ILE 63 2.238 5.838 1.469 481 HG12 ILE 63 HG12 ILE 63 0.196 7.483 0.442 482 HG13 ILE 63 HG11 ILE 63 -0.195 5.842 -0.067 483 HG21 ILE 63 HG21 ILE 63 3.666 7.176 0.093 484 HG22 ILE 63 HG22 ILE 63 2.350 8.191 0.685 485 HG23 ILE 63 HG23 ILE 63 2.325 7.594 -0.975 486 HD11 ILE 63 HD11 ILE 63 0.447 6.629 2.752 487 HD12 ILE 63 HD12 ILE 63 -0.153 5.070 2.182 488 HD13 ILE 63 HD13 ILE 63 -1.185 6.498 2.097 489 H GLY 64 HN GLY 64 2.832 4.948 -2.878 490 HA2 GLY 64 HA2 GLY 64 5.613 4.347 -2.299 491 HA3 GLY 64 HA1 GLY 64 4.883 4.479 -3.892 492 H LYS 65 HN LYS 65 7.375 5.590 -3.202 493 HA LYS 65 HA LYS 65 8.577 7.507 -3.424 494 HB2 LYS 65 HB2 LYS 65 6.458 7.711 -5.205 495 HB3 LYS 65 HB1 LYS 65 6.422 9.243 -4.343 496 HG2 LYS 65 HG2 LYS 65 7.766 9.363 -6.380 497 HG3 LYS 65 HG1 LYS 65 8.732 9.666 -4.935 498 HD2 LYS 65 HD2 LYS 65 8.641 6.851 -5.721 499 HD3 LYS 65 HD1 LYS 65 9.368 7.903 -6.936 500 HE2 LYS 65 HE2 LYS 65 10.228 8.370 -4.157 501 HE3 LYS 65 HE1 LYS 65 10.719 6.829 -4.858 502 HZ1 LYS 65 HZ1 LYS 65 11.437 8.329 -6.835 503 HZ2 LYS 65 HZ2 LYS 65 12.436 8.191 -5.477 504 HZ3 LYS 65 HZ3 LYS 65 11.454 9.555 -5.669 505 H VAL 66 HN VAL 66 8.886 9.676 -2.546 506 HA VAL 66 HA VAL 66 6.955 10.642 -0.621 507 HB VAL 66 HB VAL 66 8.442 10.532 1.307 508 HG11 VAL 66 HG11 VAL 66 8.229 7.787 0.092 509 HG12 VAL 66 HG12 VAL 66 6.856 8.666 0.763 510 HG13 VAL 66 HG13 VAL 66 8.209 8.218 1.802 511 HG21 VAL 66 HG21 VAL 66 10.431 8.820 0.934 512 HG22 VAL 66 HG22 VAL 66 10.629 10.549 0.650 513 HG23 VAL 66 HG23 VAL 66 10.345 9.460 -0.707 514 H ASP 67 HN ASP 67 8.593 12.316 0.852 515 HA ASP 67 HA ASP 67 9.049 14.569 0.596 516 HB2 ASP 67 HB2 ASP 67 11.421 14.772 0.334 517 HB3 ASP 67 HB1 ASP 67 11.062 13.250 1.148 518 H GLU 68 HN GLU 68 7.753 15.591 -0.861 519 HA GLU 68 HA GLU 68 8.774 15.795 -3.592 520 HB2 GLU 68 HB2 GLU 68 6.526 16.104 -4.393 521 HB3 GLU 68 HB1 GLU 68 6.585 14.634 -3.432 522 HG2 GLU 68 HG2 GLU 68 5.893 16.479 -1.559 523 HG3 GLU 68 HG1 GLU 68 5.094 17.111 -2.999 524 H SER 69 HN SER 69 9.042 17.420 -0.944 525 HA SER 69 HA SER 69 8.112 20.002 -1.891 526 HB2 SER 69 HB2 SER 69 7.903 19.054 0.560 527 HB3 SER 69 HB1 SER 69 9.552 19.661 0.705 528 HG SER 69 HG SER 69 8.639 21.696 -0.141 529 H LYS 70 HN LYS 70 10.391 18.509 -3.070 530 HA LYS 70 HA LYS 70 12.533 20.438 -2.588 531 HB2 LYS 70 HB2 LYS 70 13.995 18.610 -3.605 532 HB3 LYS 70 HB1 LYS 70 13.357 18.307 -1.992 533 HG2 LYS 70 HG2 LYS 70 13.100 16.304 -3.237 534 HG3 LYS 70 HG1 LYS 70 11.497 17.026 -3.068 535 HD2 LYS 70 HD2 LYS 70 11.311 17.487 -5.267 536 HD3 LYS 70 HD1 LYS 70 13.038 17.797 -5.464 537 HE2 LYS 70 HE2 LYS 70 13.495 15.411 -5.414 538 HE3 LYS 70 HE1 LYS 70 11.788 15.071 -5.137 539 HZ1 LYS 70 HZ1 LYS 70 13.125 15.984 -7.588 540 HZ2 LYS 70 HZ2 LYS 70 11.504 16.395 -7.337 541 HZ3 LYS 70 HZ3 LYS 70 11.965 14.769 -7.387 542 H LYS 71 HN LYS 71 10.220 19.379 -4.772 543 HA LYS 71 HA LYS 71 11.250 19.402 -7.272 544 HB2 LYS 71 HB2 LYS 71 9.134 20.006 -8.084 545 HB3 LYS 71 HB1 LYS 71 8.817 19.203 -6.551 546 HG2 LYS 71 HG2 LYS 71 9.152 22.002 -6.096 547 HG3 LYS 71 HG1 LYS 71 7.982 21.759 -7.395 548 HD2 LYS 71 HD2 LYS 71 6.530 20.571 -6.025 549 HD3 LYS 71 HD1 LYS 71 7.804 20.146 -4.880 550 HE2 LYS 71 HE2 LYS 71 6.871 22.975 -5.288 551 HE3 LYS 71 HE1 LYS 71 6.115 21.889 -4.124 552 HZ1 LYS 71 HZ1 LYS 71 7.903 21.956 -2.758 553 HZ2 LYS 71 HZ2 LYS 71 8.111 23.472 -3.481 554 HZ3 LYS 71 HZ3 LYS 71 9.020 22.149 -4.015 555 H ARG 72 HN ARG 72 10.636 21.272 -8.908 556 HA ARG 72 HA ARG 72 11.423 23.901 -8.000 557 HB2 ARG 72 HB2 ARG 72 13.145 23.914 -9.980 558 HB3 ARG 72 HB1 ARG 72 13.617 23.319 -8.396 559 HG2 ARG 72 HG2 ARG 72 12.646 21.510 -10.591 560 HG3 ARG 72 HG1 ARG 72 14.345 21.932 -10.369 561 HD2 ARG 72 HD2 ARG 72 13.741 21.178 -7.867 562 HD3 ARG 72 HD1 ARG 72 12.589 20.181 -8.755 563 HE ARG 72 HE ARG 72 15.382 19.765 -8.559 564 HH11 ARG 72 HH11 ARG 72 12.731 19.525 -10.816 565 HH12 ARG 72 HH12 ARG 72 13.473 18.268 -11.747 566 HH21 ARG 72 HH21 ARG 72 16.360 18.111 -9.783 567 HH22 ARG 72 HH22 ARG 72 15.533 17.465 -11.161 568 H LYS 73 HN LYS 73 10.440 25.432 -9.175 569 HA LYS 73 HA LYS 73 8.471 24.701 -11.049 570 HB2 LYS 73 HB2 LYS 73 9.561 27.256 -9.986 571 HB3 LYS 73 HB1 LYS 73 8.670 27.340 -11.499 572 HG2 LYS 73 HG2 LYS 73 7.136 27.769 -9.744 573 HG3 LYS 73 HG1 LYS 73 6.787 26.153 -10.361 574 HD2 LYS 73 HD2 LYS 73 6.713 26.031 -7.984 575 HD3 LYS 73 HD1 LYS 73 8.206 25.244 -8.499 576 HE2 LYS 73 HE2 LYS 73 9.522 26.831 -7.566 577 HE3 LYS 73 HE1 LYS 73 8.389 28.133 -7.926 578 HZ1 LYS 73 HZ1 LYS 73 8.285 27.978 -5.643 579 HZ2 LYS 73 HZ2 LYS 73 8.425 26.293 -5.627 580 HZ3 LYS 73 HZ3 LYS 73 6.972 27.015 -6.104 581 H ASP 74 HN ASP 74 8.506 26.350 -13.166 582 HA ASP 74 HA ASP 74 11.042 25.953 -14.532 583 HB2 ASP 74 HB2 ASP 74 8.365 24.910 -15.401 584 HB3 ASP 74 HB1 ASP 74 9.622 25.264 -16.583 585 H ASN 75 HN ASN 75 7.784 27.052 -15.452 586 HA ASN 75 HA ASN 75 8.906 29.668 -16.059 587 HB2 ASN 75 HB2 ASN 75 7.533 27.801 -17.881 588 HB3 ASN 75 HB1 ASN 75 7.034 29.486 -17.992 589 HD21 ASN 75 HD21 ASN 75 8.482 27.799 -19.895 590 HD22 ASN 75 HD22 ASN 75 9.961 28.628 -20.229 591 H GLU 76 HN GLU 76 5.707 28.295 -16.487 592 HA GLU 76 HA GLU 76 4.479 30.548 -15.221 593 HB2 GLU 76 HB2 GLU 76 3.259 27.983 -16.243 594 HB3 GLU 76 HB1 GLU 76 2.358 29.404 -15.733 595 HG2 GLU 76 HG2 GLU 76 4.069 30.449 -17.584 596 HG3 GLU 76 HG1 GLU 76 3.734 28.849 -18.245 597 H GLY 77 HN GLY 77 5.965 27.908 -13.952 598 HA2 GLY 77 HA2 GLY 77 5.934 27.828 -11.488 599 HA3 GLY 77 HA1 GLY 77 4.182 27.908 -11.597 600 H ASN 78 HN ASN 78 5.712 25.976 -13.980 601 HA ASN 78 HA ASN 78 4.509 23.601 -12.865 602 HB2 ASN 78 HB2 ASN 78 6.199 23.897 -15.357 603 HB3 ASN 78 HB1 ASN 78 5.187 22.518 -14.936 604 HD21 ASN 78 HD21 ASN 78 5.348 25.293 -16.706 605 HD22 ASN 78 HD22 ASN 78 3.662 25.556 -16.975 606 H GLU 79 HN GLU 79 5.503 21.951 -11.867 607 HA GLU 79 HA GLU 79 8.442 21.957 -11.747 608 HB2 GLU 79 HB2 GLU 79 8.353 21.392 -9.373 609 HB3 GLU 79 HB1 GLU 79 7.559 22.931 -9.673 610 HG2 GLU 79 HG2 GLU 79 5.494 21.142 -9.881 611 HG3 GLU 79 HG1 GLU 79 6.488 20.447 -8.601 612 H VAL 80 HN VAL 80 8.929 19.737 -10.300 613 HA VAL 80 HA VAL 80 7.819 17.625 -12.001 614 HB VAL 80 HB VAL 80 10.273 17.777 -11.886 615 HG11 VAL 80 HG11 VAL 80 10.358 18.628 -9.537 616 HG12 VAL 80 HG12 VAL 80 11.496 17.326 -9.881 617 HG13 VAL 80 HG13 VAL 80 10.013 16.988 -8.988 618 HG21 VAL 80 HG21 VAL 80 9.477 15.631 -12.413 619 HG22 VAL 80 HG22 VAL 80 8.939 15.329 -10.760 620 HG23 VAL 80 HG23 VAL 80 10.663 15.368 -11.135 621 H VAL 81 HN VAL 81 8.437 18.356 -8.593 622 HA VAL 81 HA VAL 81 7.803 17.244 -6.682 623 HB VAL 81 HB VAL 81 6.131 18.907 -6.981 624 HG11 VAL 81 HG11 VAL 81 4.084 18.556 -8.240 625 HG12 VAL 81 HG12 VAL 81 4.639 16.953 -8.718 626 HG13 VAL 81 HG13 VAL 81 5.504 18.387 -9.271 627 HG21 VAL 81 HG21 VAL 81 5.569 17.655 -5.114 628 HG22 VAL 81 HG22 VAL 81 5.122 16.240 -6.068 629 HG23 VAL 81 HG23 VAL 81 4.071 17.655 -6.045 630 HA PRO 82 HA PRO 82 7.824 12.923 -8.271 631 HB2 PRO 82 HB2 PRO 82 8.222 12.756 -5.302 632 HB3 PRO 82 HB1 PRO 82 8.987 11.811 -6.587 633 HG2 PRO 82 HG2 PRO 82 10.310 13.803 -5.472 634 HG3 PRO 82 HG1 PRO 82 10.369 13.581 -7.232 635 HD2 PRO 82 HD2 PRO 82 8.879 15.598 -5.623 636 HD3 PRO 82 HD1 PRO 82 9.619 15.759 -7.229 637 H LYS 83 HN LYS 83 5.585 12.969 -8.771 638 HA LYS 83 HA LYS 83 3.449 13.080 -7.034 639 HB2 LYS 83 HB2 LYS 83 2.286 11.578 -8.754 640 HB3 LYS 83 HB1 LYS 83 2.935 13.110 -9.321 641 HG2 LYS 83 HG2 LYS 83 4.873 10.967 -9.532 642 HG3 LYS 83 HG1 LYS 83 3.388 10.616 -10.418 643 HD2 LYS 83 HD2 LYS 83 5.004 13.152 -10.677 644 HD3 LYS 83 HD1 LYS 83 5.073 11.788 -11.795 645 HE2 LYS 83 HE2 LYS 83 2.763 13.634 -11.247 646 HE3 LYS 83 HE1 LYS 83 3.615 13.378 -12.769 647 HZ1 LYS 83 HZ1 LYS 83 1.528 12.242 -12.839 648 HZ2 LYS 83 HZ2 LYS 83 1.841 11.445 -11.380 649 HZ3 LYS 83 HZ3 LYS 83 2.755 11.078 -12.756 650 HA PRO 84 HA PRO 84 4.470 9.413 -4.550 651 HB2 PRO 84 HB2 PRO 84 1.965 10.259 -3.206 652 HB3 PRO 84 HB1 PRO 84 3.554 9.915 -2.514 653 HG2 PRO 84 HG2 PRO 84 2.668 12.422 -2.724 654 HG3 PRO 84 HG1 PRO 84 4.374 12.026 -3.008 655 HD2 PRO 84 HD2 PRO 84 2.202 12.593 -4.988 656 HD3 PRO 84 HD1 PRO 84 3.907 13.088 -5.012 657 H GLN 85 HN GLN 85 3.665 7.350 -4.521 658 HA GLN 85 HA GLN 85 1.343 6.858 -6.232 659 HB2 GLN 85 HB2 GLN 85 3.752 5.705 -6.323 660 HB3 GLN 85 HB1 GLN 85 2.991 4.621 -5.167 661 HG2 GLN 85 HG2 GLN 85 1.195 4.182 -6.773 662 HG3 GLN 85 HG1 GLN 85 1.986 5.248 -7.934 663 HE21 GLN 85 HE21 GLN 85 2.117 3.502 -9.393 664 HE22 GLN 85 HE22 GLN 85 3.314 2.270 -9.208 665 H ARG 86 HN ARG 86 -0.087 7.614 -4.485 666 HA ARG 86 HA ARG 86 -0.339 5.851 -2.186 667 HB2 ARG 86 HB2 ARG 86 -2.146 8.161 -2.875 668 HB3 ARG 86 HB1 ARG 86 -1.861 7.437 -1.298 669 HG2 ARG 86 HG2 ARG 86 0.458 8.280 -1.368 670 HG3 ARG 86 HG1 ARG 86 0.091 9.077 -2.899 671 HD2 ARG 86 HD2 ARG 86 -0.080 10.654 -1.062 672 HD3 ARG 86 HD1 ARG 86 -1.664 10.381 -1.788 673 HE ARG 86 HE ARG 86 -1.464 8.601 0.311 674 HH11 ARG 86 HH11 ARG 86 -1.394 12.066 -0.097 675 HH12 ARG 86 HH12 ARG 86 -2.055 12.389 1.471 676 HH21 ARG 86 HH21 ARG 86 -2.334 9.024 2.373 677 HH22 ARG 86 HH22 ARG 86 -2.589 10.662 2.873 678 H HIS 87 HN HIS 87 -1.560 4.102 -2.224 679 HA HIS 87 HA HIS 87 -4.046 4.114 -3.771 680 HB2 HIS 87 HB2 HIS 87 -3.359 1.578 -4.238 681 HB3 HIS 87 HB1 HIS 87 -2.917 2.882 -5.334 682 HD1 HIS 87 HD1 HIS 87 -0.653 2.345 -6.167 683 HD2 HIS 87 HD2 HIS 87 -1.008 1.635 -2.089 684 HE1 HIS 87 HE1 HIS 87 1.643 1.662 -5.401 685 HE2 HIS 87 HE2 HIS 87 1.374 1.123 -2.955 686 H MET 88 HN MET 88 -5.720 3.213 -2.722 687 HA MET 88 HA MET 88 -5.143 1.937 -0.137 688 HB2 MET 88 HB2 MET 88 -6.691 4.083 -0.579 689 HB3 MET 88 HB1 MET 88 -7.896 2.823 -0.796 690 HG2 MET 88 HG2 MET 88 -6.140 3.062 1.632 691 HG3 MET 88 HG1 MET 88 -7.751 3.765 1.506 692 HE1 MET 88 HE1 MET 88 -8.831 2.837 3.313 693 HE2 MET 88 HE2 MET 88 -7.683 1.716 4.058 694 HE3 MET 88 HE3 MET 88 -9.282 1.156 3.566 695 H PHE 89 HN PHE 89 -5.261 -0.194 -0.145 696 HA PHE 89 HA PHE 89 -6.975 -1.556 -2.077 697 HB2 PHE 89 HB2 PHE 89 -4.444 -2.113 -0.927 698 HB3 PHE 89 HB1 PHE 89 -5.544 -3.369 -0.376 699 HD1 PHE 89 HD1 PHE 89 -7.274 -3.935 -2.532 700 HD2 PHE 89 HD2 PHE 89 -3.162 -2.849 -2.668 701 HE1 PHE 89 HE1 PHE 89 -7.049 -5.071 -4.703 702 HE2 PHE 89 HE2 PHE 89 -2.930 -3.982 -4.839 703 HZ PHE 89 HZ PHE 89 -4.877 -5.092 -5.858 704 H SER 90 HN SER 90 -8.716 -2.817 -1.513 705 HA SER 90 HA SER 90 -9.316 -3.160 1.333 706 HB2 SER 90 HB2 SER 90 -10.387 -1.034 0.358 707 HB3 SER 90 HB1 SER 90 -11.432 -2.132 -0.544 708 HG SER 90 HG SER 90 -12.576 -2.041 1.229 709 H PHE 91 HN PHE 91 -10.101 -5.119 1.769 710 HA PHE 91 HA PHE 91 -11.435 -6.612 -0.376 711 HB2 PHE 91 HB2 PHE 91 -10.139 -8.556 1.180 712 HB3 PHE 91 HB1 PHE 91 -9.779 -8.101 -0.480 713 HD1 PHE 91 HD1 PHE 91 -8.332 -5.723 -0.476 714 HD2 PHE 91 HD2 PHE 91 -8.328 -8.760 2.501 715 HE1 PHE 91 HE1 PHE 91 -6.079 -5.035 0.220 716 HE2 PHE 91 HE2 PHE 91 -6.079 -8.078 3.194 717 HZ PHE 91 HZ PHE 91 -4.948 -6.213 2.057 718 H ASN 92 HN ASN 92 -12.534 -8.627 0.570 719 HA ASN 92 HA ASN 92 -14.052 -7.737 2.902 720 HB2 ASN 92 HB2 ASN 92 -14.567 -9.735 0.715 721 HB3 ASN 92 HB1 ASN 92 -15.510 -9.768 2.202 722 HD21 ASN 92 HD21 ASN 92 -15.323 -8.535 -0.865 723 HD22 ASN 92 HD22 ASN 92 -16.437 -7.224 -0.705 724 H ASN 93 HN ASN 93 -11.337 -8.856 3.118 725 HA ASN 93 HA ASN 93 -11.987 -11.124 4.868 726 HB2 ASN 93 HB2 ASN 93 -9.761 -10.868 2.871 727 HB3 ASN 93 HB1 ASN 93 -9.596 -11.925 4.270 728 HD21 ASN 93 HD21 ASN 93 -10.584 -13.861 4.275 729 HD22 ASN 93 HD22 ASN 93 -11.557 -14.464 2.981 730 H ARG 94 HN ARG 94 -11.568 -10.692 6.899 731 HA ARG 94 HA ARG 94 -9.752 -8.535 7.603 732 HB2 ARG 94 HB2 ARG 94 -12.037 -8.890 8.668 733 HB3 ARG 94 HB1 ARG 94 -11.333 -10.274 9.493 734 HG2 ARG 94 HG2 ARG 94 -9.823 -8.903 10.696 735 HG3 ARG 94 HG1 ARG 94 -10.203 -7.497 9.700 736 HD2 ARG 94 HD2 ARG 94 -12.254 -7.170 10.711 737 HD3 ARG 94 HD1 ARG 94 -12.375 -8.847 11.241 738 HE ARG 94 HE ARG 94 -10.219 -7.451 12.497 739 HH11 ARG 94 HH11 ARG 94 -13.662 -8.013 12.611 740 HH12 ARG 94 HH12 ARG 94 -13.789 -7.665 14.302 741 HH21 ARG 94 HH21 ARG 94 -10.385 -6.993 14.722 742 HH22 ARG 94 HH22 ARG 94 -11.929 -7.085 15.501 743 H THR 95 HN THR 95 -9.896 -12.004 7.648 744 HA THR 95 HA THR 95 -7.694 -12.364 9.448 745 HB THR 95 HB THR 95 -9.677 -13.991 8.643 746 HG1 THR 95 HG1 THR 95 -7.087 -14.778 9.474 747 HG21 THR 95 HG21 THR 95 -8.838 -14.310 6.376 748 HG22 THR 95 HG22 THR 95 -8.822 -15.813 7.299 749 HG23 THR 95 HG23 THR 95 -7.321 -14.929 7.027 750 H VAL 96 HN VAL 96 -8.156 -12.490 5.948 751 HA VAL 96 HA VAL 96 -5.542 -13.207 5.233 752 HB VAL 96 HB VAL 96 -7.404 -11.448 3.631 753 HG11 VAL 96 HG11 VAL 96 -4.826 -12.724 3.104 754 HG12 VAL 96 HG12 VAL 96 -5.623 -11.389 2.274 755 HG13 VAL 96 HG13 VAL 96 -6.053 -13.053 1.881 756 HG21 VAL 96 HG21 VAL 96 -8.082 -13.890 4.565 757 HG22 VAL 96 HG22 VAL 96 -7.278 -14.332 3.059 758 HG23 VAL 96 HG23 VAL 96 -8.651 -13.226 3.034 759 H MET 97 HN MET 97 -7.043 -9.960 5.171 760 HA MET 97 HA MET 97 -4.895 -8.422 4.512 761 HB2 MET 97 HB2 MET 97 -5.899 -6.652 6.042 762 HB3 MET 97 HB1 MET 97 -6.952 -7.322 4.806 763 HG2 MET 97 HG2 MET 97 -8.422 -7.649 6.427 764 HG3 MET 97 HG1 MET 97 -7.391 -8.971 6.961 765 HE1 MET 97 HE1 MET 97 -7.521 -5.318 6.752 766 HE2 MET 97 HE2 MET 97 -6.384 -4.823 8.007 767 HE3 MET 97 HE3 MET 97 -8.113 -4.871 8.353 768 H ASP 98 HN ASP 98 -5.714 -9.252 7.886 769 HA ASP 98 HA ASP 98 -3.454 -8.072 9.038 770 HB2 ASP 98 HB2 ASP 98 -5.524 -10.000 9.899 771 HB3 ASP 98 HB1 ASP 98 -4.019 -10.035 10.813 772 H ASN 99 HN ASN 99 -3.786 -11.039 7.312 773 HA ASN 99 HA ASN 99 -1.377 -12.197 8.430 774 HB2 ASN 99 HB2 ASN 99 -3.645 -13.260 7.262 775 HB3 ASN 99 HB1 ASN 99 -2.421 -13.463 6.013 776 HD21 ASN 99 HD21 ASN 99 -3.836 -15.373 7.816 777 HD22 ASN 99 HD22 ASN 99 -2.575 -16.285 8.568 778 H ILE 100 HN ILE 100 -2.350 -10.543 5.469 779 HA ILE 100 HA ILE 100 0.227 -11.062 4.248 780 HB ILE 100 HB ILE 100 -1.824 -11.031 2.867 781 HG12 ILE 100 HG12 ILE 100 0.334 -9.013 2.234 782 HG13 ILE 100 HG11 ILE 100 0.297 -10.714 1.781 783 HG21 ILE 100 HG21 ILE 100 -1.814 -8.089 3.507 784 HG22 ILE 100 HG22 ILE 100 -3.060 -9.262 3.931 785 HG23 ILE 100 HG23 ILE 100 -2.784 -8.838 2.240 786 HD11 ILE 100 HD11 ILE 100 -0.221 -9.328 -0.120 787 HD12 ILE 100 HD12 ILE 100 -1.535 -8.553 0.768 788 HD13 ILE 100 HD13 ILE 100 -1.643 -10.263 0.343 789 H LYS 101 HN LYS 101 -1.485 -8.284 5.656 790 HA LYS 101 HA LYS 101 0.297 -6.271 4.948 791 HB2 LYS 101 HB2 LYS 101 -1.798 -5.730 6.031 792 HB3 LYS 101 HB1 LYS 101 -1.317 -6.594 7.485 793 HG2 LYS 101 HG2 LYS 101 0.463 -4.406 6.604 794 HG3 LYS 101 HG1 LYS 101 -1.118 -3.939 7.226 795 HD2 LYS 101 HD2 LYS 101 0.639 -5.861 8.717 796 HD3 LYS 101 HD1 LYS 101 0.842 -4.117 8.883 797 HE2 LYS 101 HE2 LYS 101 -1.323 -3.850 9.775 798 HE3 LYS 101 HE1 LYS 101 -1.810 -5.471 9.278 799 HZ1 LYS 101 HZ1 LYS 101 0.163 -6.124 10.864 800 HZ2 LYS 101 HZ2 LYS 101 -1.390 -5.836 11.468 801 HZ3 LYS 101 HZ3 LYS 101 -0.205 -4.634 11.576 802 H MET 102 HN MET 102 0.289 -8.297 7.842 803 HA MET 102 HA MET 102 2.470 -7.346 9.189 804 HB2 MET 102 HB2 MET 102 0.844 -9.415 9.602 805 HB3 MET 102 HB1 MET 102 2.227 -10.307 8.984 806 HG2 MET 102 HG2 MET 102 2.560 -10.329 11.268 807 HG3 MET 102 HG1 MET 102 3.585 -9.001 10.729 808 HE1 MET 102 HE1 MET 102 0.718 -10.340 12.407 809 HE2 MET 102 HE2 MET 102 -0.496 -9.069 12.258 810 HE3 MET 102 HE3 MET 102 0.457 -9.210 13.735 811 H THR 103 HN THR 103 2.463 -9.613 6.478 812 HA THR 103 HA THR 103 5.169 -10.264 6.432 813 HB THR 103 HB THR 103 3.236 -9.953 4.127 814 HG1 THR 103 HG1 THR 103 2.467 -11.752 4.833 815 HG21 THR 103 HG21 THR 103 5.598 -10.019 3.372 816 HG22 THR 103 HG22 THR 103 4.632 -11.394 2.837 817 HG23 THR 103 HG23 THR 103 5.764 -11.579 4.177 818 H LEU 104 HN LEU 104 3.474 -7.552 4.895 819 HA LEU 104 HA LEU 104 5.917 -6.470 3.806 820 HB2 LEU 104 HB2 LEU 104 3.146 -5.291 3.936 821 HB3 LEU 104 HB1 LEU 104 4.489 -4.633 3.024 822 HG LEU 104 HG LEU 104 2.651 -6.819 2.353 823 HD11 LEU 104 HD11 LEU 104 3.628 -6.117 0.047 824 HD12 LEU 104 HD12 LEU 104 4.297 -4.762 0.956 825 HD13 LEU 104 HD13 LEU 104 2.553 -5.024 0.917 826 HD21 LEU 104 HD21 LEU 104 4.408 -8.330 2.613 827 HD22 LEU 104 HD22 LEU 104 5.616 -7.168 2.066 828 HD23 LEU 104 HD23 LEU 104 4.497 -7.884 0.910 829 H GLN 105 HN GLN 105 3.765 -5.785 6.510 830 HA GLN 105 HA GLN 105 4.617 -3.312 7.328 831 HB2 GLN 105 HB2 GLN 105 2.824 -4.670 8.406 832 HB3 GLN 105 HB1 GLN 105 4.072 -5.649 9.166 833 HG2 GLN 105 HG2 GLN 105 4.649 -4.020 10.648 834 HG3 GLN 105 HG1 GLN 105 4.170 -2.711 9.567 835 HE21 GLN 105 HE21 GLN 105 2.118 -1.932 9.642 836 HE22 GLN 105 HE22 GLN 105 0.939 -2.439 10.798 837 H GLN 106 HN GLN 106 6.155 -6.435 7.956 838 HA GLN 106 HA GLN 106 8.263 -5.357 9.543 839 HB2 GLN 106 HB2 GLN 106 9.308 -7.576 9.262 840 HB3 GLN 106 HB1 GLN 106 7.626 -7.693 9.761 841 HG2 GLN 106 HG2 GLN 106 6.944 -8.278 7.543 842 HG3 GLN 106 HG1 GLN 106 8.565 -7.977 6.918 843 HE21 GLN 106 HE21 GLN 106 7.172 -10.380 6.576 844 HE22 GLN 106 HE22 GLN 106 8.016 -11.626 7.423 845 H ILE 107 HN ILE 107 7.829 -6.052 6.123 846 HA ILE 107 HA ILE 107 10.490 -5.797 5.316 847 HB ILE 107 HB ILE 107 7.885 -5.947 4.036 848 HG12 ILE 107 HG12 ILE 107 10.625 -6.668 3.015 849 HG13 ILE 107 HG11 ILE 107 9.710 -7.660 4.148 850 HG21 ILE 107 HG21 ILE 107 9.955 -4.154 2.801 851 HG22 ILE 107 HG22 ILE 107 8.242 -3.835 3.071 852 HG23 ILE 107 HG23 ILE 107 8.738 -4.998 1.844 853 HD11 ILE 107 HD11 ILE 107 7.957 -7.975 2.511 854 HD12 ILE 107 HD12 ILE 107 9.515 -8.451 1.834 855 HD13 ILE 107 HD13 ILE 107 8.792 -6.908 1.381 856 H ILE 108 HN ILE 108 7.882 -3.356 5.056 857 HA ILE 108 HA ILE 108 9.480 -1.251 4.231 858 HB ILE 108 HB ILE 108 7.217 -0.781 6.146 859 HG12 ILE 108 HG12 ILE 108 6.332 -2.416 4.609 860 HG13 ILE 108 HG11 ILE 108 5.696 -0.838 4.161 861 HG21 ILE 108 HG21 ILE 108 8.880 0.875 4.662 862 HG22 ILE 108 HG22 ILE 108 7.376 1.329 5.468 863 HG23 ILE 108 HG23 ILE 108 7.358 0.856 3.769 864 HD11 ILE 108 HD11 ILE 108 8.149 -1.861 2.815 865 HD12 ILE 108 HD12 ILE 108 6.919 -0.745 2.222 866 HD13 ILE 108 HD13 ILE 108 6.564 -2.468 2.336 867 H SER 109 HN SER 109 9.045 -2.612 7.380 868 HA SER 109 HA SER 109 10.255 -0.475 8.832 869 HB2 SER 109 HB2 SER 109 8.699 -2.470 9.622 870 HB3 SER 109 HB1 SER 109 10.247 -3.275 9.881 871 HG SER 109 HG SER 109 10.846 -1.475 11.194 872 H ARG 110 HN ARG 110 11.418 -3.185 7.032 873 HA ARG 110 HA ARG 110 14.097 -2.898 8.169 874 HB2 ARG 110 HB2 ARG 110 14.578 -5.031 7.439 875 HB3 ARG 110 HB1 ARG 110 12.854 -5.165 7.744 876 HG2 ARG 110 HG2 ARG 110 12.340 -5.109 5.444 877 HG3 ARG 110 HG1 ARG 110 13.962 -4.565 5.015 878 HD2 ARG 110 HD2 ARG 110 14.515 -6.690 4.687 879 HD3 ARG 110 HD1 ARG 110 14.331 -6.949 6.421 880 HE ARG 110 HE ARG 110 11.874 -7.123 4.926 881 HH11 ARG 110 HH11 ARG 110 14.652 -8.871 6.113 882 HH12 ARG 110 HH12 ARG 110 13.857 -10.409 6.071 883 HH21 ARG 110 HH21 ARG 110 10.829 -9.145 4.870 884 HH22 ARG 110 HH22 ARG 110 11.688 -10.565 5.365 885 H TYR 111 HN TYR 111 12.356 -2.733 5.081 886 HA TYR 111 HA TYR 111 14.585 -2.108 3.480 887 HB2 TYR 111 HB2 TYR 111 11.651 -2.012 3.203 888 HB3 TYR 111 HB1 TYR 111 12.526 -0.879 2.181 889 HD1 TYR 111 HD2 TYR 111 14.070 -4.066 3.093 890 HD2 TYR 111 HD1 TYR 111 11.752 -2.023 0.168 891 HE1 TYR 111 HE2 TYR 111 14.521 -5.871 1.484 892 HE2 TYR 111 HE1 TYR 111 12.196 -3.822 -1.448 893 HH TYR 111 HH TYR 111 14.554 -6.235 -0.913 894 H LYS 112 HN LYS 112 12.458 -0.127 5.437 895 HA LYS 112 HA LYS 112 13.097 2.399 4.473 896 HB2 LYS 112 HB2 LYS 112 12.142 1.296 7.072 897 HB3 LYS 112 HB1 LYS 112 12.651 2.979 7.016 898 HG2 LYS 112 HG2 LYS 112 10.795 2.091 4.903 899 HG3 LYS 112 HG1 LYS 112 10.151 2.180 6.547 900 HD2 LYS 112 HD2 LYS 112 9.804 4.285 5.412 901 HD3 LYS 112 HD1 LYS 112 10.977 4.485 6.715 902 HE2 LYS 112 HE2 LYS 112 11.768 5.677 4.788 903 HE3 LYS 112 HE1 LYS 112 12.795 4.267 5.045 904 HZ1 LYS 112 HZ1 LYS 112 10.614 3.660 3.319 905 HZ2 LYS 112 HZ2 LYS 112 12.274 3.487 3.049 906 HZ3 LYS 112 HZ3 LYS 112 11.514 4.961 2.720 907 H ASP 113 HN ASP 113 14.554 0.618 7.170 908 HA ASP 113 HA ASP 113 16.595 2.542 7.615 909 HB2 ASP 113 HB2 ASP 113 15.733 1.051 9.389 910 HB3 ASP 113 HB1 ASP 113 16.461 -0.320 8.557 911 H ALA 114 HN ALA 114 16.256 0.507 5.091 912 HA ALA 114 HA ALA 114 19.160 0.125 4.812 913 HB1 ALA 114 HB1 ALA 114 17.374 -1.435 3.080 914 HB2 ALA 114 HB2 ALA 114 17.275 -1.797 4.804 915 HB3 ALA 114 HB3 ALA 114 18.821 -1.926 3.963 916 H ASP 115 HN ASP 115 16.236 1.313 3.313 917 HA ASP 115 HA ASP 115 17.169 1.720 0.707 918 HB2 ASP 115 HB2 ASP 115 14.946 2.751 2.365 919 HB3 ASP 115 HB1 ASP 115 15.417 3.770 1.007 920 H2 PRO 59 HT1 PRO 59 -18.844 6.562 -11.868 921 H3 PRO 59 HT2 PRO 59 -19.438 8.050 -12.246 922 HA PRO 59 HA PRO 59 -18.377 9.053 -10.765 923 HB2 PRO 59 HB2 PRO 59 -18.070 7.319 -8.548 924 HB3 PRO 59 HB1 PRO 59 -19.160 8.704 -8.687 925 HG2 PRO 59 HG2 PRO 59 -19.700 5.818 -9.143 926 HG3 PRO 59 HG1 PRO 59 -20.780 7.084 -8.532 927 HD2 PRO 59 HD2 PRO 59 -21.056 6.147 -11.012 928 HD3 PRO 59 HD1 PRO 59 -21.264 7.876 -10.673 929 H GLY 60 HN GLY 60 -17.582 5.636 -10.087 930 HA2 GLY 60 HA2 GLY 60 -15.578 4.801 -11.393 931 HA3 GLY 60 HA1 GLY 60 -14.789 6.261 -10.813 932 H GLU 61 HN GLU 61 -13.224 5.448 -9.530 933 HA GLU 61 HA GLU 61 -13.544 3.200 -7.840 934 HB2 GLU 61 HB2 GLU 61 -11.501 5.384 -7.463 935 HB3 GLU 61 HB1 GLU 61 -11.366 3.688 -7.019 936 HG2 GLU 61 HG2 GLU 61 -10.180 3.532 -8.905 937 HG3 GLU 61 HG1 GLU 61 -11.761 3.477 -9.683 938 H GLU 62 HN GLU 62 -14.170 3.015 -5.759 939 HA GLU 62 HA GLU 62 -14.197 5.132 -3.887 940 HB2 GLU 62 HB2 GLU 62 -16.150 5.667 -5.507 941 HB3 GLU 62 HB1 GLU 62 -16.974 4.335 -4.708 942 HG2 GLU 62 HG2 GLU 62 -16.672 5.480 -2.549 943 HG3 GLU 62 HG1 GLU 62 -15.930 6.835 -3.399 944 H GLU 63 HN GLU 63 -13.279 3.619 -2.535 945 HA GLU 63 HA GLU 63 -14.275 1.024 -2.085 946 HB2 GLU 63 HB2 GLU 63 -12.070 2.498 -1.262 947 HB3 GLU 63 HB1 GLU 63 -12.943 2.187 0.230 948 HG2 GLU 63 HG2 GLU 63 -11.896 0.235 0.271 949 HG3 GLU 63 HG1 GLU 63 -12.985 -0.254 -1.026 950 H ASP 64 HN ASP 64 -16.558 1.363 -1.872 951 HA ASP 64 HA ASP 64 -18.471 1.406 -0.640 952 HB2 ASP 64 HB2 ASP 64 -16.733 1.836 1.797 953 HB3 ASP 64 HB1 ASP 64 -18.371 1.189 1.749 954 H ASP 65 HN ASP 65 -16.336 3.650 1.115 955 HA ASP 65 HA ASP 65 -16.446 6.046 0.628 956 HB2 ASP 65 HB2 ASP 65 -18.538 5.939 -0.677 957 HB3 ASP 65 HB1 ASP 65 -19.439 5.602 0.799 958 H GLU 66 HN GLU 66 -15.373 6.109 2.555 959 HA GLU 66 HA GLU 66 -15.018 6.290 4.797 960 HB2 GLU 66 HB2 GLU 66 -16.367 7.916 5.923 961 HB3 GLU 66 HB1 GLU 66 -16.207 8.421 4.248 962 HG2 GLU 66 HG2 GLU 66 -18.421 7.845 3.745 963 HG3 GLU 66 HG1 GLU 66 -18.594 6.880 5.211 964 H ARG 67 HN ARG 67 -16.292 3.842 3.968 965 HA ARG 67 HA ARG 67 -17.604 3.180 6.483 966 HB2 ARG 67 HB2 ARG 67 -18.495 2.153 3.793 967 HB3 ARG 67 HB1 ARG 67 -19.206 1.738 5.347 968 HG2 ARG 67 HG2 ARG 67 -19.127 4.604 4.890 969 HG3 ARG 67 HG1 ARG 67 -20.039 3.741 3.651 970 HD2 ARG 67 HD2 ARG 67 -21.281 4.556 5.749 971 HD3 ARG 67 HD1 ARG 67 -21.572 2.909 5.190 972 HE ARG 67 HE ARG 67 -19.483 3.071 7.143 973 HH11 ARG 67 HH11 ARG 67 -22.941 2.906 6.704 974 HH12 ARG 67 HH12 ARG 67 -23.232 2.217 8.265 975 HH21 ARG 67 HH21 ARG 67 -19.864 2.164 9.197 976 HH22 ARG 67 HH22 ARG 67 -21.485 1.796 9.681 977 H GLY 68 HN GLY 68 -15.597 2.199 3.846 978 HA2 GLY 68 HA2 GLY 68 -14.582 0.017 5.483 979 HA3 GLY 68 HA1 GLY 68 -15.064 -0.339 3.832 980 H ALA 69 HN ALA 69 -13.719 2.748 4.577 981 HA ALA 69 HA ALA 69 -11.001 2.008 3.925 982 HB1 ALA 69 HB1 ALA 69 -11.484 2.187 1.702 983 HB2 ALA 69 HB2 ALA 69 -11.132 3.879 2.057 984 HB3 ALA 69 HB3 ALA 69 -12.804 3.326 1.968 985 H ASP 70 HN ASP 70 -12.265 3.174 6.198 986 HA ASP 70 HA ASP 70 -10.768 5.676 6.311 987 HB2 ASP 70 HB2 ASP 70 -13.395 5.828 5.785 988 HB3 ASP 70 HB1 ASP 70 -13.458 5.777 7.544 989 H ALA 71 HN ALA 71 -9.732 3.612 7.495 990 HA ALA 71 HA ALA 71 -9.683 4.284 10.238 991 HB1 ALA 71 HB1 ALA 71 -10.575 2.291 11.260 992 HB2 ALA 71 HB2 ALA 71 -10.928 1.603 9.668 993 HB3 ALA 71 HB3 ALA 71 -11.810 3.022 10.228 994 H THR 72 HN THR 72 -7.918 3.842 7.967 995 HA THR 72 HA THR 72 -6.215 1.726 9.093 996 HB THR 72 HB THR 72 -5.331 2.324 6.478 997 HG1 THR 72 HG1 THR 72 -7.585 3.104 6.289 998 HG21 THR 72 HG21 THR 72 -4.962 0.164 6.952 999 HG22 THR 72 HG22 THR 72 -6.493 -0.024 6.096 1000 HG23 THR 72 HG23 THR 72 -6.462 -0.007 7.854 1001 H TRP 73 HN TRP 73 -6.557 4.989 8.877 1002 HA TRP 73 HA TRP 73 -3.703 5.550 8.564 1003 HB2 TRP 73 HB2 TRP 73 -5.511 7.824 9.045 1004 HB3 TRP 73 HB1 TRP 73 -4.280 7.606 7.807 1005 HD1 TRP 73 HD1 TRP 73 -7.608 8.473 7.697 1006 HE1 TRP 73 HE1 TRP 73 -8.937 7.419 5.758 1007 HE3 TRP 73 HE3 TRP 73 -4.432 4.690 6.537 1008 HZ2 TRP 73 HZ2 TRP 73 -8.648 5.230 3.968 1009 HZ3 TRP 73 HZ3 TRP 73 -5.011 3.154 4.713 1010 HH2 TRP 73 HH2 TRP 73 -7.064 3.429 3.464 1011 H ASP 74 HN ASP 74 -4.347 4.183 10.905 1012 HA ASP 74 HA ASP 74 -3.316 6.022 12.839 1013 HB2 ASP 74 HB2 ASP 74 -5.877 6.374 12.754 1014 HB3 ASP 74 HB1 ASP 74 -5.972 4.817 13.571 1015 H LEU 75 HN LEU 75 -2.829 3.279 11.630 1016 HA LEU 75 HA LEU 75 -2.370 1.951 14.200 1017 HB2 LEU 75 HB2 LEU 75 -2.700 -0.249 13.086 1018 HB3 LEU 75 HB1 LEU 75 -4.149 0.707 13.300 1019 HG LEU 75 HG LEU 75 -4.029 -0.486 11.134 1020 HD11 LEU 75 HD11 LEU 75 -5.140 1.141 10.023 1021 HD12 LEU 75 HD12 LEU 75 -3.940 2.373 10.405 1022 HD13 LEU 75 HD13 LEU 75 -5.111 1.880 11.626 1023 HD21 LEU 75 HD21 LEU 75 -2.028 1.507 10.197 1024 HD22 LEU 75 HD22 LEU 75 -2.459 -0.060 9.512 1025 HD23 LEU 75 HD23 LEU 75 -1.481 0.024 10.979 1026 H ASP 76 HN ASP 76 -1.125 2.959 11.199 1027 HA ASP 76 HA ASP 76 1.336 1.433 11.673 1028 HB2 ASP 76 HB2 ASP 76 -0.141 1.448 9.398 1029 HB3 ASP 76 HB1 ASP 76 0.977 2.766 9.060 1030 H LEU 77 HN LEU 77 2.811 3.163 9.785 1031 HA LEU 77 HA LEU 77 4.116 5.016 9.808 1032 HB2 LEU 77 HB2 LEU 77 1.551 6.015 10.963 1033 HB3 LEU 77 HB1 LEU 77 2.964 7.054 11.040 1034 HG LEU 77 HG LEU 77 3.019 6.296 8.424 1035 HD11 LEU 77 HD11 LEU 77 1.070 5.304 7.951 1036 HD12 LEU 77 HD12 LEU 77 0.418 6.943 7.982 1037 HD13 LEU 77 HD13 LEU 77 0.287 5.915 9.409 1038 HD21 LEU 77 HD21 LEU 77 1.355 8.632 9.283 1039 HD22 LEU 77 HD22 LEU 77 2.502 8.508 7.948 1040 HD23 LEU 77 HD23 LEU 77 3.088 8.590 9.610 1041 H LEU 78 HN LEU 78 5.061 3.303 11.494 1042 HA LEU 78 HA LEU 78 6.442 4.782 13.416 1043 HB2 LEU 78 HB2 LEU 78 5.521 3.966 15.497 1044 HB3 LEU 78 HB1 LEU 78 4.295 4.830 14.593 1045 HG LEU 78 HG LEU 78 3.972 2.160 13.837 1046 HD11 LEU 78 HD11 LEU 78 5.433 2.017 16.115 1047 HD12 LEU 78 HD12 LEU 78 4.279 0.792 15.589 1048 HD13 LEU 78 HD13 LEU 78 3.793 2.016 16.763 1049 HD21 LEU 78 HD21 LEU 78 2.055 2.597 15.739 1050 HD22 LEU 78 HD22 LEU 78 1.964 3.121 14.058 1051 HD23 LEU 78 HD23 LEU 78 2.532 4.237 15.300 1052 H LEU 79 HN LEU 79 7.826 3.429 11.937 1053 HA LEU 79 HA LEU 79 8.382 0.861 13.256 1054 HB2 LEU 79 HB2 LEU 79 9.182 0.757 10.499 1055 HB3 LEU 79 HB1 LEU 79 8.124 -0.319 11.388 1056 HG LEU 79 HG LEU 79 6.319 1.517 10.957 1057 HD11 LEU 79 HD11 LEU 79 8.544 2.300 9.157 1058 HD12 LEU 79 HD12 LEU 79 7.345 3.298 9.979 1059 HD13 LEU 79 HD13 LEU 79 6.898 2.395 8.531 1060 HD21 LEU 79 HD21 LEU 79 5.486 0.125 9.392 1061 HD22 LEU 79 HD22 LEU 79 6.857 -0.884 9.853 1062 HD23 LEU 79 HD23 LEU 79 6.963 0.151 8.429 1063 H THR 80 HN THR 80 9.951 2.553 10.553 1064 HA THR 80 HA THR 80 12.492 2.298 11.888 1065 HB THR 80 HB THR 80 13.318 3.400 9.719 1066 HG1 THR 80 HG1 THR 80 11.685 4.219 8.662 1067 HG21 THR 80 HG21 THR 80 11.829 0.884 9.129 1068 HG22 THR 80 HG22 THR 80 13.197 0.877 10.243 1069 HG23 THR 80 HG23 THR 80 13.421 1.402 8.574 1070 H ASN 81 HN ASN 81 13.694 3.916 12.746 1071 HA ASN 81 HA ASN 81 13.344 6.660 12.215 1072 HB2 ASN 81 HB2 ASN 81 11.693 5.501 14.374 1073 HB3 ASN 81 HB1 ASN 81 12.574 6.964 14.803 1074 HD21 ASN 81 HD21 ASN 81 9.682 6.022 13.942 1075 HD22 ASN 81 HD22 ASN 81 9.160 7.347 12.964 1076 H PHE 82 HN PHE 82 13.841 5.108 15.370 1077 HA PHE 82 HA PHE 82 16.634 4.963 15.276 1078 HB2 PHE 82 HB2 PHE 82 17.130 6.916 16.819 1079 HB3 PHE 82 HB1 PHE 82 16.750 7.334 15.152 1080 HD1 PHE 82 HD2 PHE 82 14.646 8.414 14.588 1081 HD2 PHE 82 HD1 PHE 82 15.649 7.494 18.620 1082 HE1 PHE 82 HE2 PHE 82 12.868 9.924 15.370 1083 HE2 PHE 82 HE1 PHE 82 13.873 9.002 19.410 1084 HZ PHE 82 HZ PHE 82 12.480 10.220 17.784 1085 H SER 83 HN SER 83 14.473 3.431 16.253 1086 HA SER 83 HA SER 83 14.669 3.603 19.164 1087 HB2 SER 83 HB2 SER 83 12.940 1.727 19.049 1088 HB3 SER 83 HB1 SER 83 12.428 3.300 18.440 1089 HG SER 83 HG SER 83 12.607 2.569 16.379 1090 H GLY 84 HN GLY 84 16.194 2.495 20.181 1091 HA2 GLY 84 HA2 GLY 84 17.730 0.468 18.863 1092 HA3 GLY 84 HA1 GLY 84 17.899 0.980 20.535 1093 HA PRO 85 HA PRO 85 16.234 -3.299 20.731 1094 HB2 PRO 85 HB2 PRO 85 17.497 -3.948 23.044 1095 HB3 PRO 85 HB1 PRO 85 18.276 -4.063 21.461 1096 HG2 PRO 85 HG2 PRO 85 18.489 -1.905 23.526 1097 HG3 PRO 85 HG1 PRO 85 19.768 -2.650 22.550 1098 HD2 PRO 85 HD2 PRO 85 18.685 -0.243 21.941 1099 HD3 PRO 85 HD1 PRO 85 19.279 -1.365 20.699 Start of MODEL 16 1 H2 PRO 1 HT1 PRO 1 1.116 -14.045 8.912 2 H3 PRO 1 HT2 PRO 1 2.229 -13.644 10.053 3 HA PRO 1 HA PRO 1 3.394 -13.341 8.340 4 HB2 PRO 1 HB2 PRO 1 4.467 -15.859 7.983 5 HB3 PRO 1 HB1 PRO 1 4.896 -14.751 9.293 6 HG2 PRO 1 HG2 PRO 1 3.501 -17.230 9.506 7 HG3 PRO 1 HG1 PRO 1 3.846 -16.069 10.798 8 HD2 PRO 1 HD2 PRO 1 1.365 -16.416 9.173 9 HD3 PRO 1 HD1 PRO 1 1.547 -15.878 10.856 10 H SER 2 HN SER 2 0.744 -13.867 7.361 11 HA SER 2 HA SER 2 1.008 -15.650 5.101 12 HB2 SER 2 HB2 SER 2 -1.297 -13.786 5.265 13 HB3 SER 2 HB1 SER 2 -1.264 -15.510 4.895 14 HG SER 2 HG SER 2 -1.221 -14.231 7.406 15 H HIS 3 HN HIS 3 1.244 -15.089 2.985 16 HA HIS 3 HA HIS 3 1.790 -12.247 2.438 17 HB2 HIS 3 HB2 HIS 3 2.975 -14.736 1.204 18 HB3 HIS 3 HB1 HIS 3 3.230 -13.118 0.563 19 HD1 HIS 3 HD1 HIS 3 5.795 -14.054 1.141 20 HD2 HIS 3 HD2 HIS 3 3.386 -12.827 4.296 21 HE1 HIS 3 HE1 HIS 3 7.367 -13.608 3.052 22 HE2 HIS 3 HE2 HIS 3 5.875 -12.980 4.982 23 H SER 4 HN SER 4 0.136 -15.112 1.380 24 HA SER 4 HA SER 4 -0.864 -13.778 -1.003 25 HB2 SER 4 HB2 SER 4 -1.665 -16.518 -0.028 26 HB3 SER 4 HB1 SER 4 -1.785 -15.864 -1.664 27 HG SER 4 HG SER 4 0.300 -16.216 -1.976 28 H GLY 5 HN GLY 5 -2.799 -12.913 -1.220 29 HA2 GLY 5 HA2 GLY 5 -4.997 -13.557 0.538 30 HA3 GLY 5 HA1 GLY 5 -4.336 -11.942 0.774 31 H ALA 6 HN ALA 6 -6.812 -11.768 0.074 32 HA ALA 6 HA ALA 6 -6.868 -11.539 -2.856 33 HB1 ALA 6 HB1 ALA 6 -8.623 -12.955 -2.112 34 HB2 ALA 6 HB2 ALA 6 -9.356 -11.417 -2.572 35 HB3 ALA 6 HB3 ALA 6 -9.112 -11.804 -0.868 36 H ALA 7 HN ALA 7 -7.356 -9.660 -3.848 37 HA ALA 7 HA ALA 7 -8.155 -7.335 -2.323 38 HB1 ALA 7 HB1 ALA 7 -5.642 -7.069 -3.925 39 HB2 ALA 7 HB2 ALA 7 -5.585 -7.593 -2.242 40 HB3 ALA 7 HB3 ALA 7 -6.269 -6.020 -2.653 41 H ILE 8 HN ILE 8 -8.607 -5.457 -3.736 42 HA ILE 8 HA ILE 8 -9.063 -6.269 -6.524 43 HB ILE 8 HB ILE 8 -11.056 -4.867 -4.745 44 HG12 ILE 8 HG12 ILE 8 -11.709 -7.329 -6.252 45 HG13 ILE 8 HG11 ILE 8 -10.599 -7.516 -4.896 46 HG21 ILE 8 HG21 ILE 8 -11.567 -3.848 -6.713 47 HG22 ILE 8 HG22 ILE 8 -12.420 -5.365 -6.998 48 HG23 ILE 8 HG23 ILE 8 -10.814 -5.116 -7.682 49 HD11 ILE 8 HD11 ILE 8 -12.589 -7.854 -3.847 50 HD12 ILE 8 HD12 ILE 8 -13.465 -6.756 -4.914 51 HD13 ILE 8 HD13 ILE 8 -12.428 -6.110 -3.642 52 H PHE 9 HN PHE 9 -8.905 -4.725 -8.060 53 HA PHE 9 HA PHE 9 -8.368 -1.965 -7.265 54 HB2 PHE 9 HB2 PHE 9 -6.188 -3.276 -7.502 55 HB3 PHE 9 HB1 PHE 9 -6.558 -3.379 -9.221 56 HD1 PHE 9 HD1 PHE 9 -7.188 -1.054 -10.315 57 HD2 PHE 9 HD2 PHE 9 -4.852 -1.548 -6.796 58 HE1 PHE 9 HE1 PHE 9 -6.185 1.166 -10.676 59 HE2 PHE 9 HE2 PHE 9 -3.847 0.671 -7.145 60 HZ PHE 9 HZ PHE 9 -4.513 2.031 -9.087 61 H GLU 10 HN GLU 10 -8.926 -0.454 -8.818 62 HA GLU 10 HA GLU 10 -10.369 0.366 -10.392 63 HB2 GLU 10 HB2 GLU 10 -9.680 -0.181 -12.684 64 HB3 GLU 10 HB1 GLU 10 -8.294 0.134 -11.645 65 HG2 GLU 10 HG2 GLU 10 -7.954 -2.257 -11.376 66 HG3 GLU 10 HG1 GLU 10 -9.330 -2.570 -12.434 67 H LYS 11 HN LYS 11 -11.677 -1.560 -8.971 68 HA LYS 11 HA LYS 11 -13.536 -2.857 -9.002 69 HB2 LYS 11 HB2 LYS 11 -14.187 -2.622 -11.841 70 HB3 LYS 11 HB1 LYS 11 -15.134 -2.177 -10.430 71 HG2 LYS 11 HG2 LYS 11 -13.508 -0.147 -10.318 72 HG3 LYS 11 HG1 LYS 11 -13.204 -0.542 -12.011 73 HD2 LYS 11 HD2 LYS 11 -16.029 -0.370 -11.093 74 HD3 LYS 11 HD1 LYS 11 -15.127 1.133 -11.294 75 HE2 LYS 11 HE2 LYS 11 -14.475 0.104 -13.599 76 HE3 LYS 11 HE1 LYS 11 -15.894 -0.909 -13.337 77 HZ1 LYS 11 HZ1 LYS 11 -17.140 1.225 -12.955 78 HZ2 LYS 11 HZ2 LYS 11 -16.622 0.956 -14.543 79 HZ3 LYS 11 HZ3 LYS 11 -15.784 2.043 -13.553 80 H VAL 12 HN VAL 12 -10.811 -3.841 -10.093 81 HA VAL 12 HA VAL 12 -11.861 -6.294 -11.356 82 HB VAL 12 HB VAL 12 -9.049 -5.207 -11.581 83 HG11 VAL 12 HG11 VAL 12 -8.492 -7.074 -12.691 84 HG12 VAL 12 HG12 VAL 12 -10.029 -7.137 -13.552 85 HG13 VAL 12 HG13 VAL 12 -9.910 -7.774 -11.912 86 HG21 VAL 12 HG21 VAL 12 -9.556 -4.198 -13.565 87 HG22 VAL 12 HG22 VAL 12 -11.097 -3.988 -12.734 88 HG23 VAL 12 HG23 VAL 12 -10.898 -5.291 -13.906 89 H SER 13 HN SER 13 -11.840 -7.999 -10.035 90 HA SER 13 HA SER 13 -10.251 -7.902 -7.623 91 HB2 SER 13 HB2 SER 13 -11.436 -9.971 -7.001 92 HB3 SER 13 HB1 SER 13 -12.552 -8.683 -7.457 93 HG SER 13 HG SER 13 -13.210 -9.845 -9.083 94 H GLY 14 HN GLY 14 -8.934 -9.613 -6.897 95 HA2 GLY 14 HA2 GLY 14 -7.955 -11.677 -8.573 96 HA3 GLY 14 HA1 GLY 14 -6.875 -10.288 -8.627 97 H ILE 15 HN ILE 15 -5.578 -12.284 -7.695 98 HA ILE 15 HA ILE 15 -5.851 -12.262 -4.764 99 HB ILE 15 HB ILE 15 -4.103 -14.195 -6.259 100 HG12 ILE 15 HG12 ILE 15 -6.285 -15.703 -5.772 101 HG13 ILE 15 HG11 ILE 15 -7.066 -14.159 -6.096 102 HG21 ILE 15 HG21 ILE 15 -3.654 -14.341 -3.992 103 HG22 ILE 15 HG22 ILE 15 -4.879 -15.592 -4.207 104 HG23 ILE 15 HG23 ILE 15 -5.330 -14.024 -3.538 105 HD11 ILE 15 HD11 ILE 15 -5.998 -16.055 -7.930 106 HD12 ILE 15 HD12 ILE 15 -5.136 -14.527 -8.107 107 HD13 ILE 15 HD13 ILE 15 -6.892 -14.571 -8.257 108 H ILE 16 HN ILE 16 -4.306 -11.416 -3.557 109 HA ILE 16 HA ILE 16 -1.994 -10.236 -4.915 110 HB ILE 16 HB ILE 16 -3.461 -8.672 -3.774 111 HG12 ILE 16 HG12 ILE 16 -1.037 -8.856 -2.017 112 HG13 ILE 16 HG11 ILE 16 -0.878 -8.474 -3.729 113 HG21 ILE 16 HG21 ILE 16 -3.687 -8.735 -1.308 114 HG22 ILE 16 HG22 ILE 16 -2.921 -10.322 -1.319 115 HG23 ILE 16 HG23 ILE 16 -4.470 -10.085 -2.131 116 HD11 ILE 16 HD11 ILE 16 -1.082 -6.363 -3.013 117 HD12 ILE 16 HD12 ILE 16 -1.880 -6.838 -1.512 118 HD13 ILE 16 HD13 ILE 16 -2.808 -6.733 -3.012 119 H ALA 17 HN ALA 17 0.057 -10.999 -4.461 120 HA ALA 17 HA ALA 17 0.427 -12.456 -1.929 121 HB1 ALA 17 HB1 ALA 17 1.393 -13.502 -4.583 122 HB2 ALA 17 HB2 ALA 17 -0.031 -14.090 -3.725 123 HB3 ALA 17 HB3 ALA 17 1.569 -14.275 -3.008 124 H ILE 18 HN ILE 18 2.361 -12.185 -0.943 125 HA ILE 18 HA ILE 18 4.191 -10.232 -2.122 126 HB ILE 18 HB ILE 18 4.143 -11.409 0.663 127 HG12 ILE 18 HG12 ILE 18 3.535 -8.553 0.066 128 HG13 ILE 18 HG11 ILE 18 2.289 -9.750 -0.278 129 HG21 ILE 18 HG21 ILE 18 6.343 -10.758 0.392 130 HG22 ILE 18 HG22 ILE 18 5.607 -9.299 1.054 131 HG23 ILE 18 HG23 ILE 18 5.925 -9.418 -0.676 132 HD11 ILE 18 HD11 ILE 18 2.269 -8.592 1.999 133 HD12 ILE 18 HD12 ILE 18 3.636 -9.636 2.390 134 HD13 ILE 18 HD13 ILE 18 2.079 -10.344 1.959 135 H ASN 19 HN ASN 19 6.349 -10.613 -2.480 136 HA ASN 19 HA ASN 19 7.271 -13.406 -2.283 137 HB2 ASN 19 HB2 ASN 19 7.302 -11.520 -4.583 138 HB3 ASN 19 HB1 ASN 19 8.694 -12.579 -4.379 139 HD21 ASN 19 HD21 ASN 19 5.635 -12.289 -5.660 140 HD22 ASN 19 HD22 ASN 19 5.325 -13.956 -5.992 141 H GLU 20 HN GLU 20 8.775 -13.494 -0.792 142 HA GLU 20 HA GLU 20 10.676 -11.270 -0.566 143 HB2 GLU 20 HB2 GLU 20 9.202 -12.252 1.429 144 HB3 GLU 20 HB1 GLU 20 10.533 -13.398 1.514 145 HG2 GLU 20 HG2 GLU 20 12.081 -11.422 1.645 146 HG3 GLU 20 HG1 GLU 20 10.648 -10.415 1.840 147 H ASP 21 HN ASP 21 10.706 -13.382 -2.538 148 HA ASP 21 HA ASP 21 13.095 -14.913 -1.795 149 HB2 ASP 21 HB2 ASP 21 11.351 -15.211 -4.249 150 HB3 ASP 21 HB1 ASP 21 12.622 -16.310 -3.722 151 H VAL 22 HN VAL 22 11.990 -12.305 -3.768 152 HA VAL 22 HA VAL 22 14.509 -12.268 -5.278 153 HB VAL 22 HB VAL 22 13.055 -10.084 -6.156 154 HG11 VAL 22 HG11 VAL 22 14.318 -11.630 -7.543 155 HG12 VAL 22 HG12 VAL 22 12.687 -11.411 -8.177 156 HG13 VAL 22 HG13 VAL 22 13.098 -12.877 -7.287 157 HG21 VAL 22 HG21 VAL 22 11.124 -12.373 -5.801 158 HG22 VAL 22 HG22 VAL 22 10.808 -10.840 -6.614 159 HG23 VAL 22 HG23 VAL 22 11.094 -10.873 -4.874 160 H SER 23 HN SER 23 15.502 -10.043 -5.596 161 HA SER 23 HA SER 23 16.436 -9.032 -3.217 162 HB2 SER 23 HB2 SER 23 16.439 -8.104 -6.011 163 HB3 SER 23 HB1 SER 23 16.651 -6.833 -4.808 164 HG SER 23 HG SER 23 18.428 -7.930 -4.002 165 HA PRO 24 HA PRO 24 13.240 -5.536 -3.045 166 HB2 PRO 24 HB2 PRO 24 11.575 -5.020 -5.068 167 HB3 PRO 24 HB1 PRO 24 13.251 -4.448 -5.095 168 HG2 PRO 24 HG2 PRO 24 12.029 -6.798 -6.484 169 HG3 PRO 24 HG1 PRO 24 13.228 -5.641 -7.089 170 HD2 PRO 24 HD2 PRO 24 13.836 -8.151 -6.121 171 HD3 PRO 24 HD1 PRO 24 14.970 -6.788 -6.163 172 H ALA 25 HN ALA 25 12.375 -7.171 -1.609 173 HA ALA 25 HA ALA 25 10.503 -9.099 -2.151 174 HB1 ALA 25 HB1 ALA 25 10.761 -9.288 0.048 175 HB2 ALA 25 HB2 ALA 25 9.567 -8.001 0.216 176 HB3 ALA 25 HB3 ALA 25 11.288 -7.612 0.202 177 H GLU 26 HN GLU 26 9.022 -8.664 -3.655 178 HA GLU 26 HA GLU 26 7.154 -6.450 -3.138 179 HB2 GLU 26 HB2 GLU 26 6.776 -6.449 -5.608 180 HB3 GLU 26 HB1 GLU 26 8.393 -5.959 -5.096 181 HG2 GLU 26 HG2 GLU 26 9.191 -8.245 -5.605 182 HG3 GLU 26 HG1 GLU 26 7.586 -8.637 -6.220 183 H LEU 27 HN LEU 27 4.970 -6.808 -4.259 184 HA LEU 27 HA LEU 27 4.177 -9.598 -3.981 185 HB2 LEU 27 HB2 LEU 27 2.270 -9.061 -2.745 186 HB3 LEU 27 HB1 LEU 27 3.540 -8.086 -2.034 187 HG LEU 27 HG LEU 27 1.447 -7.100 -3.976 188 HD11 LEU 27 HD11 LEU 27 0.577 -5.863 -2.059 189 HD12 LEU 27 HD12 LEU 27 1.781 -6.623 -1.018 190 HD13 LEU 27 HD13 LEU 27 0.527 -7.603 -1.777 191 HD21 LEU 27 HD21 LEU 27 2.388 -4.853 -3.154 192 HD22 LEU 27 HD22 LEU 27 3.305 -5.750 -4.364 193 HD23 LEU 27 HD23 LEU 27 3.805 -5.787 -2.673 194 H THR 28 HN THR 28 2.781 -10.396 -5.489 195 HA THR 28 HA THR 28 2.118 -8.575 -7.664 196 HB THR 28 HB THR 28 1.716 -10.791 -8.858 197 HG1 THR 28 HG1 THR 28 3.434 -11.723 -6.820 198 HG21 THR 28 HG21 THR 28 3.872 -9.186 -8.730 199 HG22 THR 28 HG22 THR 28 3.659 -10.536 -9.845 200 HG23 THR 28 HG23 THR 28 4.554 -10.764 -8.338 201 H TRP 29 HN TRP 29 0.151 -8.594 -8.637 202 HA TRP 29 HA TRP 29 -2.031 -9.817 -7.071 203 HB2 TRP 29 HB2 TRP 29 -1.906 -7.361 -6.787 204 HB3 TRP 29 HB1 TRP 29 -2.095 -7.171 -8.529 205 HD1 TRP 29 HD1 TRP 29 -4.042 -8.286 -5.426 206 HE1 TRP 29 HE1 TRP 29 -6.549 -8.155 -5.950 207 HE3 TRP 29 HE3 TRP 29 -3.759 -7.184 -10.408 208 HZ2 TRP 29 HZ2 TRP 29 -8.197 -7.644 -8.176 209 HZ3 TRP 29 HZ3 TRP 29 -5.863 -6.897 -11.664 210 HH2 TRP 29 HH2 TRP 29 -8.030 -7.126 -10.572 211 H ARG 30 HN ARG 30 -2.805 -11.463 -8.258 212 HA ARG 30 HA ARG 30 -3.030 -11.111 -11.170 213 HB2 ARG 30 HB2 ARG 30 -2.493 -13.408 -9.402 214 HB3 ARG 30 HB1 ARG 30 -3.557 -13.743 -10.759 215 HG2 ARG 30 HG2 ARG 30 -1.755 -12.653 -12.204 216 HG3 ARG 30 HG1 ARG 30 -0.707 -12.819 -10.794 217 HD2 ARG 30 HD2 ARG 30 -2.218 -15.233 -11.543 218 HD3 ARG 30 HD1 ARG 30 -1.006 -14.709 -12.710 219 HE ARG 30 HE ARG 30 0.655 -15.258 -11.210 220 HH11 ARG 30 HH11 ARG 30 -2.456 -15.432 -9.630 221 HH12 ARG 30 HH12 ARG 30 -1.834 -16.227 -8.224 222 HH21 ARG 30 HH21 ARG 30 1.469 -16.303 -9.359 223 HH22 ARG 30 HH22 ARG 30 0.392 -16.720 -8.069 224 H SER 31 HN SER 31 -4.997 -10.834 -12.053 225 HA SER 31 HA SER 31 -7.325 -10.607 -10.528 226 HB2 SER 31 HB2 SER 31 -6.569 -10.184 -13.212 227 HB3 SER 31 HB1 SER 31 -7.973 -11.245 -13.256 228 HG SER 31 HG SER 31 -9.081 -9.502 -12.911 229 H THR 32 HN THR 32 -9.232 -11.886 -10.480 230 HA THR 32 HA THR 32 -8.667 -14.752 -10.597 231 HB THR 32 HB THR 32 -11.188 -14.441 -9.475 232 HG1 THR 32 HG1 THR 32 -11.264 -12.468 -8.804 233 HG21 THR 32 HG21 THR 32 -8.815 -14.326 -7.693 234 HG22 THR 32 HG22 THR 32 -9.047 -15.741 -8.720 235 HG23 THR 32 HG23 THR 32 -10.290 -15.282 -7.556 236 H ASP 33 HN ASP 33 -10.598 -12.301 -12.060 237 HA ASP 33 HA ASP 33 -11.625 -14.250 -13.949 238 HB2 ASP 33 HB2 ASP 33 -13.245 -12.505 -12.177 239 HB3 ASP 33 HB1 ASP 33 -13.789 -12.675 -13.843 240 H GLY 34 HN GLY 34 -9.547 -12.110 -13.909 241 HA2 GLY 34 HA2 GLY 34 -10.566 -10.572 -16.215 242 HA3 GLY 34 HA1 GLY 34 -9.559 -9.832 -14.981 243 H ASP 35 HN ASP 35 -8.351 -12.847 -15.238 244 HA ASP 35 HA ASP 35 -6.392 -13.648 -16.040 245 HB2 ASP 35 HB2 ASP 35 -6.337 -13.979 -18.367 246 HB3 ASP 35 HB1 ASP 35 -8.047 -13.856 -17.969 247 H LYS 36 HN LYS 36 -6.386 -10.876 -15.037 248 HA LYS 36 HA LYS 36 -4.053 -9.862 -16.519 249 HB2 LYS 36 HB2 LYS 36 -4.601 -7.636 -15.688 250 HB3 LYS 36 HB1 LYS 36 -5.957 -8.313 -16.577 251 HG2 LYS 36 HG2 LYS 36 -7.161 -8.743 -14.582 252 HG3 LYS 36 HG1 LYS 36 -5.749 -8.400 -13.581 253 HD2 LYS 36 HD2 LYS 36 -6.757 -6.383 -13.375 254 HD3 LYS 36 HD1 LYS 36 -5.932 -6.074 -14.904 255 HE2 LYS 36 HE2 LYS 36 -8.624 -7.330 -14.993 256 HE3 LYS 36 HE1 LYS 36 -8.524 -5.617 -14.588 257 HZ1 LYS 36 HZ1 LYS 36 -8.727 -5.628 -16.880 258 HZ2 LYS 36 HZ2 LYS 36 -7.722 -6.973 -17.082 259 HZ3 LYS 36 HZ3 LYS 36 -7.055 -5.475 -16.667 260 H VAL 37 HN VAL 37 -2.543 -8.559 -15.070 261 HA VAL 37 HA VAL 37 -2.449 -9.545 -12.331 262 HB VAL 37 HB VAL 37 0.105 -9.715 -13.871 263 HG11 VAL 37 HG11 VAL 37 0.242 -11.698 -12.153 264 HG12 VAL 37 HG12 VAL 37 -1.024 -10.780 -11.337 265 HG13 VAL 37 HG13 VAL 37 0.542 -10.032 -11.655 266 HG21 VAL 37 HG21 VAL 37 -2.131 -11.717 -13.959 267 HG22 VAL 37 HG22 VAL 37 -0.448 -12.211 -14.136 268 HG23 VAL 37 HG23 VAL 37 -1.161 -11.081 -15.288 269 H HIS 38 HN HIS 38 -1.137 -8.343 -10.944 270 HA HIS 38 HA HIS 38 0.095 -5.922 -12.031 271 HB2 HIS 38 HB2 HIS 38 -2.392 -5.727 -10.992 272 HB3 HIS 38 HB1 HIS 38 -1.442 -5.557 -9.519 273 HD1 HIS 38 HD1 HIS 38 -1.717 -3.103 -9.086 274 HD2 HIS 38 HD2 HIS 38 -0.495 -3.909 -12.975 275 HE1 HIS 38 HE1 HIS 38 -1.178 -0.865 -10.099 276 HE2 HIS 38 HE2 HIS 38 -0.360 -1.386 -12.424 277 H THR 39 HN THR 39 2.120 -6.178 -11.440 278 HA THR 39 HA THR 39 2.762 -7.381 -8.834 279 HB THR 39 HB THR 39 4.501 -6.741 -11.240 280 HG1 THR 39 HG1 THR 39 3.329 -8.479 -11.771 281 HG21 THR 39 HG21 THR 39 6.270 -7.008 -9.948 282 HG22 THR 39 HG22 THR 39 5.750 -8.669 -9.662 283 HG23 THR 39 HG23 THR 39 5.261 -7.387 -8.553 284 H VAL 40 HN VAL 40 2.843 -5.848 -7.247 285 HA VAL 40 HA VAL 40 3.912 -3.196 -7.887 286 HB VAL 40 HB VAL 40 2.671 -4.128 -5.294 287 HG11 VAL 40 HG11 VAL 40 2.615 -1.288 -6.034 288 HG12 VAL 40 HG12 VAL 40 4.226 -1.937 -5.723 289 HG13 VAL 40 HG13 VAL 40 2.974 -2.053 -4.486 290 HG21 VAL 40 HG21 VAL 40 1.383 -2.567 -7.532 291 HG22 VAL 40 HG22 VAL 40 0.629 -3.059 -6.015 292 HG23 VAL 40 HG23 VAL 40 1.102 -4.277 -7.200 293 H VAL 41 HN VAL 41 6.068 -3.019 -7.724 294 HA VAL 41 HA VAL 41 7.586 -4.775 -6.087 295 HB VAL 41 HB VAL 41 8.532 -3.863 -8.158 296 HG11 VAL 41 HG11 VAL 41 7.550 -1.467 -7.373 297 HG12 VAL 41 HG12 VAL 41 8.798 -1.677 -8.602 298 HG13 VAL 41 HG13 VAL 41 9.251 -1.289 -6.942 299 HG21 VAL 41 HG21 VAL 41 10.543 -4.266 -7.290 300 HG22 VAL 41 HG22 VAL 41 9.804 -4.230 -5.688 301 HG23 VAL 41 HG23 VAL 41 10.509 -2.762 -6.370 302 H LEU 42 HN LEU 42 7.059 -4.613 -3.995 303 HA LEU 42 HA LEU 42 6.480 -2.429 -2.456 304 HB2 LEU 42 HB2 LEU 42 8.093 -4.849 -1.694 305 HB3 LEU 42 HB1 LEU 42 7.363 -3.743 -0.547 306 HG LEU 42 HG LEU 42 5.714 -5.240 -2.572 307 HD11 LEU 42 HD11 LEU 42 5.306 -6.491 -0.145 308 HD12 LEU 42 HD12 LEU 42 7.057 -6.299 -0.224 309 HD13 LEU 42 HD13 LEU 42 6.202 -7.142 -1.518 310 HD21 LEU 42 HD21 LEU 42 5.086 -3.888 0.046 311 HD22 LEU 42 HD22 LEU 42 3.935 -4.828 -0.904 312 HD23 LEU 42 HD23 LEU 42 4.623 -3.347 -1.568 313 H SER 43 HN SER 43 9.539 -3.301 -3.796 314 HA SER 43 HA SER 43 11.295 -2.032 -2.044 315 HB2 SER 43 HB2 SER 43 11.436 -3.164 -4.670 316 HB3 SER 43 HB1 SER 43 12.274 -1.614 -4.673 317 HG SER 43 HG SER 43 12.715 -3.601 -2.705 318 H THR 44 HN THR 44 9.899 -0.786 -5.028 319 HA THR 44 HA THR 44 10.723 1.874 -4.634 320 HB THR 44 HB THR 44 9.086 2.378 -6.404 321 HG1 THR 44 HG1 THR 44 7.681 0.890 -7.119 322 HG21 THR 44 HG21 THR 44 9.863 0.499 -8.058 323 HG22 THR 44 HG22 THR 44 10.986 0.137 -6.747 324 HG23 THR 44 HG23 THR 44 10.978 1.739 -7.484 325 H ILE 45 HN ILE 45 8.138 -0.061 -3.389 326 HA ILE 45 HA ILE 45 6.443 2.157 -2.654 327 HB ILE 45 HB ILE 45 6.378 -0.652 -1.550 328 HG12 ILE 45 HG12 ILE 45 6.233 -0.631 -4.024 329 HG13 ILE 45 HG11 ILE 45 4.733 -1.160 -3.271 330 HG21 ILE 45 HG21 ILE 45 5.128 1.300 -0.424 331 HG22 ILE 45 HG22 ILE 45 4.239 -0.183 -0.768 332 HG23 ILE 45 HG23 ILE 45 4.056 1.220 -1.822 333 HD11 ILE 45 HD11 ILE 45 4.480 1.601 -3.573 334 HD12 ILE 45 HD12 ILE 45 3.678 0.337 -4.506 335 HD13 ILE 45 HD13 ILE 45 5.203 1.019 -5.072 336 H ASP 46 HN ASP 46 6.965 3.547 -1.106 337 HA ASP 46 HA ASP 46 8.722 2.676 1.068 338 HB2 ASP 46 HB2 ASP 46 8.746 4.947 -0.495 339 HB3 ASP 46 HB1 ASP 46 8.006 5.514 0.999 340 H LYS 47 HN LYS 47 5.432 3.276 0.480 341 HA LYS 47 HA LYS 47 4.957 3.495 3.380 342 HB2 LYS 47 HB2 LYS 47 4.165 5.304 1.359 343 HB3 LYS 47 HB1 LYS 47 2.710 4.478 1.905 344 HG2 LYS 47 HG2 LYS 47 2.829 6.317 3.300 345 HG3 LYS 47 HG1 LYS 47 3.550 5.035 4.274 346 HD2 LYS 47 HD2 LYS 47 5.066 6.748 4.569 347 HD3 LYS 47 HD1 LYS 47 5.782 5.872 3.215 348 HE2 LYS 47 HE2 LYS 47 4.847 7.451 1.646 349 HE3 LYS 47 HE1 LYS 47 3.988 8.280 2.943 350 HZ1 LYS 47 HZ1 LYS 47 5.799 9.605 2.811 351 HZ2 LYS 47 HZ2 LYS 47 6.810 8.387 2.217 352 HZ3 LYS 47 HZ3 LYS 47 6.448 8.454 3.868 353 H LEU 48 HN LEU 48 3.207 2.410 4.226 354 HA LEU 48 HA LEU 48 1.554 0.704 2.582 355 HB2 LEU 48 HB2 LEU 48 3.421 -0.758 2.738 356 HB3 LEU 48 HB1 LEU 48 3.666 -0.383 4.431 357 HG LEU 48 HG LEU 48 1.092 -1.473 4.314 358 HD11 LEU 48 HD11 LEU 48 1.698 -3.727 3.273 359 HD12 LEU 48 HD12 LEU 48 2.981 -2.852 2.438 360 HD13 LEU 48 HD13 LEU 48 1.296 -2.402 2.181 361 HD21 LEU 48 HD21 LEU 48 2.342 -3.464 5.363 362 HD22 LEU 48 HD22 LEU 48 2.425 -1.901 6.175 363 HD23 LEU 48 HD23 LEU 48 3.780 -2.458 5.196 364 H GLN 49 HN GLN 49 -0.440 0.677 3.499 365 HA GLN 49 HA GLN 49 -0.634 0.837 6.413 366 HB2 GLN 49 HB2 GLN 49 -2.368 2.647 4.772 367 HB3 GLN 49 HB1 GLN 49 -1.973 2.744 6.481 368 HG2 GLN 49 HG2 GLN 49 -0.698 4.448 5.705 369 HG3 GLN 49 HG1 GLN 49 0.460 3.131 5.537 370 HE21 GLN 49 HE21 GLN 49 -1.106 5.644 3.984 371 HE22 GLN 49 HE22 GLN 49 -0.700 5.240 2.354 372 H ALA 50 HN ALA 50 -2.323 -0.176 7.299 373 HA ALA 50 HA ALA 50 -4.345 -1.341 5.495 374 HB1 ALA 50 HB1 ALA 50 -4.468 -3.279 6.909 375 HB2 ALA 50 HB2 ALA 50 -3.357 -2.558 8.073 376 HB3 ALA 50 HB3 ALA 50 -2.779 -3.023 6.474 377 H THR 51 HN THR 51 -6.507 -1.478 6.374 378 HA THR 51 HA THR 51 -7.078 0.772 8.035 379 HB THR 51 HB THR 51 -9.481 -0.426 7.812 380 HG1 THR 51 HG1 THR 51 -9.478 -1.315 5.657 381 HG21 THR 51 HG21 THR 51 -8.142 1.121 5.595 382 HG22 THR 51 HG22 THR 51 -8.900 1.822 7.024 383 HG23 THR 51 HG23 THR 51 -9.878 0.934 5.865 384 HA PRO 52 HA PRO 52 -7.134 -1.530 11.857 385 HB2 PRO 52 HB2 PRO 52 -6.913 0.554 13.466 386 HB3 PRO 52 HB1 PRO 52 -5.587 0.151 12.365 387 HG2 PRO 52 HG2 PRO 52 -7.660 2.287 12.133 388 HG3 PRO 52 HG1 PRO 52 -5.942 2.342 11.711 389 HD2 PRO 52 HD2 PRO 52 -8.068 1.878 9.939 390 HD3 PRO 52 HD1 PRO 52 -6.351 1.591 9.610 391 H ALA 53 HN ALA 53 -8.429 -1.490 13.865 392 HA ALA 53 HA ALA 53 -11.084 -1.783 13.591 393 HB1 ALA 53 HB1 ALA 53 -11.240 -1.888 15.865 394 HB2 ALA 53 HB2 ALA 53 -10.208 -0.479 16.112 395 HB3 ALA 53 HB3 ALA 53 -9.493 -2.028 15.665 396 H SER 54 HN SER 54 -9.540 1.263 13.341 397 HA SER 54 HA SER 54 -11.514 3.028 14.250 398 HB2 SER 54 HB2 SER 54 -9.665 3.331 11.896 399 HB3 SER 54 HB1 SER 54 -10.467 4.651 12.753 400 HG SER 54 HG SER 54 -9.082 4.468 14.371 401 H SER 55 HN SER 55 -11.156 1.181 11.373 402 HA SER 55 HA SER 55 -13.874 1.897 10.569 403 HB2 SER 55 HB2 SER 55 -12.478 3.284 9.197 404 HB3 SER 55 HB1 SER 55 -11.416 1.925 8.825 405 HG SER 55 HG SER 55 -14.164 1.906 8.158 406 H GLU 56 HN GLU 56 -15.042 0.096 10.290 407 HA GLU 56 HA GLU 56 -13.969 -2.491 10.444 408 HB2 GLU 56 HB2 GLU 56 -16.202 -3.256 9.700 409 HB3 GLU 56 HB1 GLU 56 -16.297 -2.060 10.985 410 HG2 GLU 56 HG2 GLU 56 -16.405 -1.008 8.237 411 HG3 GLU 56 HG1 GLU 56 -17.781 -1.983 8.752 412 H LYS 57 HN LYS 57 -14.070 -0.275 7.877 413 HA LYS 57 HA LYS 57 -14.181 -2.038 5.676 414 HB2 LYS 57 HB2 LYS 57 -13.313 0.813 6.070 415 HB3 LYS 57 HB1 LYS 57 -13.033 0.005 4.533 416 HG2 LYS 57 HG2 LYS 57 -15.067 1.056 4.197 417 HG3 LYS 57 HG1 LYS 57 -15.543 -0.584 4.628 418 HD2 LYS 57 HD2 LYS 57 -16.957 0.655 5.951 419 HD3 LYS 57 HD1 LYS 57 -15.608 0.392 7.054 420 HE2 LYS 57 HE2 LYS 57 -14.694 2.601 6.363 421 HE3 LYS 57 HE1 LYS 57 -16.153 2.858 5.409 422 HZ1 LYS 57 HZ1 LYS 57 -16.952 3.777 7.260 423 HZ2 LYS 57 HZ2 LYS 57 -15.755 3.101 8.245 424 HZ3 LYS 57 HZ3 LYS 57 -17.128 2.199 7.845 425 H MET 58 HN MET 58 -12.672 -3.298 4.810 426 HA MET 58 HA MET 58 -9.954 -3.171 5.900 427 HB2 MET 58 HB2 MET 58 -9.813 -5.421 4.568 428 HB3 MET 58 HB1 MET 58 -10.630 -5.362 6.123 429 HG2 MET 58 HG2 MET 58 -12.240 -4.896 3.679 430 HG3 MET 58 HG1 MET 58 -11.695 -6.537 4.019 431 HE1 MET 58 HE1 MET 58 -15.563 -6.004 5.031 432 HE2 MET 58 HE2 MET 58 -14.543 -7.157 4.169 433 HE3 MET 58 HE3 MET 58 -14.581 -5.463 3.669 434 H MET 59 HN MET 59 -8.255 -2.546 4.703 435 HA MET 59 HA MET 59 -8.172 -2.802 1.859 436 HB2 MET 59 HB2 MET 59 -8.028 -0.342 1.409 437 HB3 MET 59 HB1 MET 59 -9.629 -0.896 1.885 438 HG2 MET 59 HG2 MET 59 -8.527 -0.241 4.281 439 HG3 MET 59 HG1 MET 59 -7.801 0.955 3.214 440 HE1 MET 59 HE1 MET 59 -10.287 3.357 4.487 441 HE2 MET 59 HE2 MET 59 -9.219 3.415 3.085 442 HE3 MET 59 HE3 MET 59 -8.667 2.675 4.584 443 H LEU 60 HN LEU 60 -6.141 -2.288 0.976 444 HA LEU 60 HA LEU 60 -4.050 -1.590 2.930 445 HB2 LEU 60 HB2 LEU 60 -3.997 -3.705 0.778 446 HB3 LEU 60 HB1 LEU 60 -2.536 -3.080 1.517 447 HG LEU 60 HG LEU 60 -4.708 -4.726 2.796 448 HD11 LEU 60 HD11 LEU 60 -1.763 -5.057 2.316 449 HD12 LEU 60 HD12 LEU 60 -3.086 -6.105 1.804 450 HD13 LEU 60 HD13 LEU 60 -2.630 -6.025 3.508 451 HD21 LEU 60 HD21 LEU 60 -4.272 -2.959 4.364 452 HD22 LEU 60 HD22 LEU 60 -2.531 -3.154 4.163 453 HD23 LEU 60 HD23 LEU 60 -3.478 -4.430 4.930 454 H ARG 61 HN ARG 61 -2.769 0.074 2.332 455 HA ARG 61 HA ARG 61 -2.932 0.970 -0.478 456 HB2 ARG 61 HB2 ARG 61 -4.065 2.564 0.904 457 HB3 ARG 61 HB1 ARG 61 -2.750 2.581 2.070 458 HG2 ARG 61 HG2 ARG 61 -1.829 4.289 1.009 459 HG3 ARG 61 HG1 ARG 61 -1.671 3.310 -0.448 460 HD2 ARG 61 HD2 ARG 61 -3.843 3.977 -1.208 461 HD3 ARG 61 HD1 ARG 61 -4.176 4.794 0.318 462 HE ARG 61 HE ARG 61 -1.866 5.806 -1.062 463 HH11 ARG 61 HH11 ARG 61 -5.333 6.032 -0.731 464 HH12 ARG 61 HH12 ARG 61 -5.410 7.653 -1.334 465 HH21 ARG 61 HH21 ARG 61 -1.966 7.937 -1.855 466 HH22 ARG 61 HH22 ARG 61 -3.499 8.735 -1.973 467 H LEU 62 HN LEU 62 -1.084 1.557 -1.520 468 HA LEU 62 HA LEU 62 1.449 1.387 -0.039 469 HB2 LEU 62 HB2 LEU 62 1.438 0.382 -2.824 470 HB3 LEU 62 HB1 LEU 62 2.384 -0.143 -1.445 471 HG LEU 62 HG LEU 62 -0.548 -0.770 -1.660 472 HD11 LEU 62 HD11 LEU 62 1.704 -2.509 -2.643 473 HD12 LEU 62 HD12 LEU 62 0.640 -1.570 -3.689 474 HD13 LEU 62 HD13 LEU 62 -0.023 -2.864 -2.691 475 HD21 LEU 62 HD21 LEU 62 0.107 -2.639 -0.187 476 HD22 LEU 62 HD22 LEU 62 0.436 -1.060 0.527 477 HD23 LEU 62 HD23 LEU 62 1.754 -2.010 -0.160 478 H ILE 63 HN ILE 63 3.038 2.806 -0.688 479 HA ILE 63 HA ILE 63 2.406 4.552 -2.965 480 HB ILE 63 HB ILE 63 3.084 5.362 -0.167 481 HG12 ILE 63 HG12 ILE 63 1.359 7.170 -1.474 482 HG13 ILE 63 HG11 ILE 63 0.839 5.555 -1.950 483 HG21 ILE 63 HG21 ILE 63 4.792 6.478 -1.413 484 HG22 ILE 63 HG22 ILE 63 3.540 7.655 -1.013 485 HG23 ILE 63 HG23 ILE 63 3.632 6.985 -2.643 486 HD11 ILE 63 HD11 ILE 63 -0.308 6.386 0.047 487 HD12 ILE 63 HD12 ILE 63 1.246 6.471 0.878 488 HD13 ILE 63 HD13 ILE 63 0.611 4.912 0.351 489 H GLY 64 HN GLY 64 4.047 4.873 -4.336 490 HA2 GLY 64 HA2 GLY 64 6.423 3.412 -4.191 491 HA3 GLY 64 HA1 GLY 64 6.136 4.764 -5.275 492 H LYS 65 HN LYS 65 8.434 5.174 -4.945 493 HA LYS 65 HA LYS 65 9.058 6.410 -2.355 494 HB2 LYS 65 HB2 LYS 65 10.494 4.575 -3.731 495 HB3 LYS 65 HB1 LYS 65 11.200 6.055 -4.366 496 HG2 LYS 65 HG2 LYS 65 12.561 5.877 -2.598 497 HG3 LYS 65 HG1 LYS 65 11.211 6.595 -1.718 498 HD2 LYS 65 HD2 LYS 65 11.861 4.712 -0.456 499 HD3 LYS 65 HD1 LYS 65 10.401 4.223 -1.317 500 HE2 LYS 65 HE2 LYS 65 11.652 2.981 -2.907 501 HE3 LYS 65 HE1 LYS 65 13.174 3.670 -2.344 502 HZ1 LYS 65 HZ1 LYS 65 13.112 1.566 -1.397 503 HZ2 LYS 65 HZ2 LYS 65 11.465 1.657 -1.024 504 HZ3 LYS 65 HZ3 LYS 65 12.584 2.564 -0.137 505 H VAL 66 HN VAL 66 11.204 8.009 -3.226 506 HA VAL 66 HA VAL 66 11.742 10.009 -4.194 507 HB VAL 66 HB VAL 66 9.220 9.922 -5.834 508 HG11 VAL 66 HG11 VAL 66 10.768 11.109 -7.457 509 HG12 VAL 66 HG12 VAL 66 11.900 11.253 -6.112 510 HG13 VAL 66 HG13 VAL 66 10.308 12.004 -6.008 511 HG21 VAL 66 HG21 VAL 66 11.694 8.294 -6.114 512 HG22 VAL 66 HG22 VAL 66 10.940 8.927 -7.577 513 HG23 VAL 66 HG23 VAL 66 10.021 7.883 -6.492 514 H ASP 67 HN ASP 67 11.032 12.275 -4.165 515 HA ASP 67 HA ASP 67 8.776 12.681 -2.311 516 HB2 ASP 67 HB2 ASP 67 11.452 14.075 -2.429 517 HB3 ASP 67 HB1 ASP 67 10.082 14.709 -1.522 518 H GLU 68 HN GLU 68 8.020 15.044 -2.361 519 HA GLU 68 HA GLU 68 8.223 16.274 -4.973 520 HB2 GLU 68 HB2 GLU 68 5.904 16.258 -5.443 521 HB3 GLU 68 HB1 GLU 68 6.318 14.611 -4.997 522 HG2 GLU 68 HG2 GLU 68 5.553 15.300 -2.632 523 HG3 GLU 68 HG1 GLU 68 4.764 16.644 -3.456 524 H SER 69 HN SER 69 8.816 16.816 -2.022 525 HA SER 69 HA SER 69 7.114 18.993 -1.308 526 HB2 SER 69 HB2 SER 69 9.618 17.801 -0.175 527 HB3 SER 69 HB1 SER 69 9.063 19.374 0.398 528 HG SER 69 HG SER 69 8.246 17.572 1.619 529 H LYS 70 HN LYS 70 9.459 18.755 -3.622 530 HA LYS 70 HA LYS 70 10.646 21.347 -3.225 531 HB2 LYS 70 HB2 LYS 70 11.765 20.812 -5.437 532 HB3 LYS 70 HB1 LYS 70 12.141 19.743 -4.093 533 HG2 LYS 70 HG2 LYS 70 9.871 18.924 -5.781 534 HG3 LYS 70 HG1 LYS 70 11.460 18.891 -6.548 535 HD2 LYS 70 HD2 LYS 70 11.335 17.740 -3.840 536 HD3 LYS 70 HD1 LYS 70 10.439 16.861 -5.080 537 HE2 LYS 70 HE2 LYS 70 12.313 16.214 -6.163 538 HE3 LYS 70 HE1 LYS 70 13.151 17.730 -5.834 539 HZ1 LYS 70 HZ1 LYS 70 12.879 15.368 -4.078 540 HZ2 LYS 70 HZ2 LYS 70 13.306 16.883 -3.460 541 HZ3 LYS 70 HZ3 LYS 70 14.294 16.129 -4.608 542 H LYS 71 HN LYS 71 7.847 20.146 -4.674 543 HA LYS 71 HA LYS 71 6.490 20.863 -6.418 544 HB2 LYS 71 HB2 LYS 71 5.675 23.231 -5.750 545 HB3 LYS 71 HB1 LYS 71 5.445 21.900 -4.629 546 HG2 LYS 71 HG2 LYS 71 7.975 23.308 -4.300 547 HG3 LYS 71 HG1 LYS 71 6.547 24.303 -4.009 548 HD2 LYS 71 HD2 LYS 71 5.719 22.657 -2.411 549 HD3 LYS 71 HD1 LYS 71 7.116 21.627 -2.734 550 HE2 LYS 71 HE2 LYS 71 8.595 23.407 -1.902 551 HE3 LYS 71 HE1 LYS 71 7.182 24.401 -1.546 552 HZ1 LYS 71 HZ1 LYS 71 7.392 21.705 -0.388 553 HZ2 LYS 71 HZ2 LYS 71 6.568 23.060 0.198 554 HZ3 LYS 71 HZ3 LYS 71 8.254 22.982 0.312 555 H ARG 72 HN ARG 72 6.097 23.540 -7.315 556 HA ARG 72 HA ARG 72 7.337 23.731 -9.662 557 HB2 ARG 72 HB2 ARG 72 7.389 26.382 -8.421 558 HB3 ARG 72 HB1 ARG 72 6.506 25.817 -9.828 559 HG2 ARG 72 HG2 ARG 72 5.664 25.424 -6.963 560 HG3 ARG 72 HG1 ARG 72 5.024 26.638 -8.070 561 HD2 ARG 72 HD2 ARG 72 4.871 24.088 -9.332 562 HD3 ARG 72 HD1 ARG 72 4.186 23.955 -7.712 563 HE ARG 72 HE ARG 72 3.248 26.241 -9.182 564 HH11 ARG 72 HH11 ARG 72 2.753 22.844 -8.553 565 HH12 ARG 72 HH12 ARG 72 1.080 22.877 -8.999 566 HH21 ARG 72 HH21 ARG 72 1.048 26.287 -9.769 567 HH22 ARG 72 HH22 ARG 72 0.112 24.831 -9.690 568 H LYS 73 HN LYS 73 8.821 24.585 -6.599 569 HA LYS 73 HA LYS 73 11.409 24.032 -7.357 570 HB2 LYS 73 HB2 LYS 73 12.223 26.548 -7.295 571 HB3 LYS 73 HB1 LYS 73 11.746 25.780 -8.800 572 HG2 LYS 73 HG2 LYS 73 10.871 28.104 -8.420 573 HG3 LYS 73 HG1 LYS 73 9.662 26.888 -8.827 574 HD2 LYS 73 HD2 LYS 73 8.710 28.119 -7.072 575 HD3 LYS 73 HD1 LYS 73 9.311 26.649 -6.306 576 HE2 LYS 73 HE2 LYS 73 11.477 28.299 -6.134 577 HE3 LYS 73 HE1 LYS 73 10.143 29.438 -5.958 578 HZ1 LYS 73 HZ1 LYS 73 11.177 28.040 -3.939 579 HZ2 LYS 73 HZ2 LYS 73 9.921 27.005 -4.396 580 HZ3 LYS 73 HZ3 LYS 73 9.582 28.604 -3.964 581 H ASP 74 HN ASP 74 13.029 25.445 -5.844 582 HA ASP 74 HA ASP 74 11.906 26.272 -3.362 583 HB2 ASP 74 HB2 ASP 74 12.045 23.569 -3.565 584 HB3 ASP 74 HB1 ASP 74 13.633 23.924 -2.891 585 H ASN 75 HN ASN 75 14.017 25.913 -1.661 586 HA ASN 75 HA ASN 75 15.794 27.926 -2.466 587 HB2 ASN 75 HB2 ASN 75 15.593 26.062 -0.168 588 HB3 ASN 75 HB1 ASN 75 17.169 26.796 -0.455 589 HD21 ASN 75 HD21 ASN 75 17.060 29.215 -0.853 590 HD22 ASN 75 HD22 ASN 75 16.029 30.115 0.200 591 H GLU 76 HN GLU 76 15.857 24.515 -2.948 592 HA GLU 76 HA GLU 76 18.667 24.470 -3.607 593 HB2 GLU 76 HB2 GLU 76 16.534 22.439 -3.249 594 HB3 GLU 76 HB1 GLU 76 17.851 22.029 -4.339 595 HG2 GLU 76 HG2 GLU 76 19.464 22.426 -2.561 596 HG3 GLU 76 HG1 GLU 76 18.157 22.876 -1.467 597 H GLY 77 HN GLY 77 16.159 25.694 -5.175 598 HA2 GLY 77 HA2 GLY 77 15.851 26.280 -7.374 599 HA3 GLY 77 HA1 GLY 77 17.393 25.515 -7.734 600 H ASN 78 HN ASN 78 15.372 23.356 -6.129 601 HA ASN 78 HA ASN 78 15.143 21.622 -8.327 602 HB2 ASN 78 HB2 ASN 78 13.477 21.682 -5.799 603 HB3 ASN 78 HB1 ASN 78 13.633 20.314 -6.896 604 HD21 ASN 78 HD21 ASN 78 14.406 20.987 -3.992 605 HD22 ASN 78 HD22 ASN 78 16.022 20.387 -3.870 606 H GLU 79 HN GLU 79 12.437 20.777 -8.303 607 HA GLU 79 HA GLU 79 10.576 22.814 -8.652 608 HB2 GLU 79 HB2 GLU 79 10.479 22.761 -11.207 609 HB3 GLU 79 HB1 GLU 79 11.750 23.720 -10.459 610 HG2 GLU 79 HG2 GLU 79 13.410 22.335 -11.167 611 HG3 GLU 79 HG1 GLU 79 12.374 20.908 -11.164 612 H VAL 80 HN VAL 80 8.628 22.140 -9.854 613 HA VAL 80 HA VAL 80 6.958 20.679 -10.310 614 HB VAL 80 HB VAL 80 9.265 18.822 -10.871 615 HG11 VAL 80 HG11 VAL 80 7.591 17.366 -11.988 616 HG12 VAL 80 HG12 VAL 80 6.314 18.352 -11.274 617 HG13 VAL 80 HG13 VAL 80 7.403 17.433 -10.234 618 HG21 VAL 80 HG21 VAL 80 7.914 19.267 -13.203 619 HG22 VAL 80 HG22 VAL 80 9.354 20.140 -12.680 620 HG23 VAL 80 HG23 VAL 80 7.754 20.819 -12.380 621 H VAL 81 HN VAL 81 5.740 18.961 -9.418 622 HA VAL 81 HA VAL 81 6.606 18.165 -6.753 623 HB VAL 81 HB VAL 81 4.654 19.662 -6.840 624 HG11 VAL 81 HG11 VAL 81 2.803 17.631 -7.834 625 HG12 VAL 81 HG12 VAL 81 3.912 18.259 -9.053 626 HG13 VAL 81 HG13 VAL 81 2.872 19.364 -8.154 627 HG21 VAL 81 HG21 VAL 81 4.842 18.149 -4.969 628 HG22 VAL 81 HG22 VAL 81 4.072 16.860 -5.892 629 HG23 VAL 81 HG23 VAL 81 3.148 18.290 -5.434 630 HA PRO 82 HA PRO 82 6.700 14.298 -9.477 631 HB2 PRO 82 HB2 PRO 82 8.301 13.701 -7.013 632 HB3 PRO 82 HB1 PRO 82 8.575 13.173 -8.680 633 HG2 PRO 82 HG2 PRO 82 9.994 15.165 -7.686 634 HG3 PRO 82 HG1 PRO 82 9.360 15.268 -9.340 635 HD2 PRO 82 HD2 PRO 82 8.433 16.638 -6.866 636 HD3 PRO 82 HD1 PRO 82 8.426 17.209 -8.544 637 H LYS 83 HN LYS 83 4.442 14.006 -9.031 638 HA LYS 83 HA LYS 83 3.388 13.224 -6.554 639 HB2 LYS 83 HB2 LYS 83 1.533 12.218 -7.993 640 HB3 LYS 83 HB1 LYS 83 1.835 13.941 -8.166 641 HG2 LYS 83 HG2 LYS 83 3.412 12.366 -10.020 642 HG3 LYS 83 HG1 LYS 83 1.680 12.081 -10.200 643 HD2 LYS 83 HD2 LYS 83 3.033 14.779 -10.217 644 HD3 LYS 83 HD1 LYS 83 2.449 13.910 -11.638 645 HE2 LYS 83 HE2 LYS 83 0.174 13.910 -10.431 646 HE3 LYS 83 HE1 LYS 83 0.876 15.170 -9.418 647 HZ1 LYS 83 HZ1 LYS 83 1.378 16.395 -11.512 648 HZ2 LYS 83 HZ2 LYS 83 -0.273 16.222 -11.186 649 HZ3 LYS 83 HZ3 LYS 83 0.464 15.245 -12.354 650 HA PRO 84 HA PRO 84 5.428 9.183 -6.447 651 HB2 PRO 84 HB2 PRO 84 3.899 8.956 -3.927 652 HB3 PRO 84 HB1 PRO 84 5.636 8.797 -4.207 653 HG2 PRO 84 HG2 PRO 84 4.622 10.942 -2.973 654 HG3 PRO 84 HG1 PRO 84 6.001 11.077 -4.081 655 HD2 PRO 84 HD2 PRO 84 3.117 11.730 -4.554 656 HD3 PRO 84 HD1 PRO 84 4.571 12.610 -5.070 657 H GLN 85 HN GLN 85 4.745 7.071 -6.760 658 HA GLN 85 HA GLN 85 2.105 6.743 -7.794 659 HB2 GLN 85 HB2 GLN 85 4.420 4.870 -7.359 660 HB3 GLN 85 HB1 GLN 85 2.862 4.286 -7.927 661 HG2 GLN 85 HG2 GLN 85 3.968 6.581 -9.395 662 HG3 GLN 85 HG1 GLN 85 4.866 5.071 -9.541 663 HE21 GLN 85 HE21 GLN 85 4.258 5.137 -11.780 664 HE22 GLN 85 HE22 GLN 85 2.698 4.577 -12.267 665 H ARG 86 HN ARG 86 0.510 6.885 -6.306 666 HA ARG 86 HA ARG 86 0.705 5.204 -3.902 667 HB2 ARG 86 HB2 ARG 86 -1.432 7.266 -4.312 668 HB3 ARG 86 HB1 ARG 86 -0.750 6.659 -2.810 669 HG2 ARG 86 HG2 ARG 86 1.358 7.844 -3.339 670 HG3 ARG 86 HG1 ARG 86 0.576 8.524 -4.767 671 HD2 ARG 86 HD2 ARG 86 -1.226 9.328 -3.084 672 HD3 ARG 86 HD1 ARG 86 0.024 9.051 -1.872 673 HE ARG 86 HE ARG 86 1.288 10.569 -3.714 674 HH11 ARG 86 HH11 ARG 86 -1.733 10.930 -2.004 675 HH12 ARG 86 HH12 ARG 86 -1.675 12.661 -2.014 676 HH21 ARG 86 HH21 ARG 86 1.366 12.845 -3.728 677 HH22 ARG 86 HH22 ARG 86 0.083 13.748 -2.993 678 H HIS 87 HN HIS 87 -0.364 3.346 -3.904 679 HA HIS 87 HA HIS 87 -2.733 3.091 -5.639 680 HB2 HIS 87 HB2 HIS 87 -1.074 0.760 -4.710 681 HB3 HIS 87 HB1 HIS 87 -2.193 0.840 -6.065 682 HD1 HIS 87 HD1 HIS 87 -1.332 2.049 -8.233 683 HD2 HIS 87 HD2 HIS 87 1.527 1.512 -5.266 684 HE1 HIS 87 HE1 HIS 87 0.883 2.450 -9.354 685 HE2 HIS 87 HE2 HIS 87 2.591 2.210 -7.518 686 H MET 88 HN MET 88 -4.599 2.848 -4.612 687 HA MET 88 HA MET 88 -4.566 1.987 -1.803 688 HB2 MET 88 HB2 MET 88 -5.739 4.167 -2.828 689 HB3 MET 88 HB1 MET 88 -7.054 3.025 -3.054 690 HG2 MET 88 HG2 MET 88 -5.775 3.926 -0.502 691 HG3 MET 88 HG1 MET 88 -7.461 4.052 -0.992 692 HE1 MET 88 HE1 MET 88 -7.986 3.504 1.227 693 HE2 MET 88 HE2 MET 88 -7.020 2.362 2.170 694 HE3 MET 88 HE3 MET 88 -8.595 1.883 1.535 695 H PHE 89 HN PHE 89 -4.808 -0.138 -1.627 696 HA PHE 89 HA PHE 89 -6.513 -1.583 -3.503 697 HB2 PHE 89 HB2 PHE 89 -4.132 -2.187 -2.071 698 HB3 PHE 89 HB1 PHE 89 -5.381 -3.289 -1.509 699 HD1 PHE 89 HD2 PHE 89 -6.954 -3.944 -3.759 700 HD2 PHE 89 HD1 PHE 89 -2.768 -3.206 -3.589 701 HE1 PHE 89 HE2 PHE 89 -6.633 -5.320 -5.773 702 HE2 PHE 89 HE1 PHE 89 -2.439 -4.578 -5.604 703 HZ PHE 89 HZ PHE 89 -4.377 -5.633 -6.696 704 H SER 90 HN SER 90 -8.363 -2.703 -2.902 705 HA SER 90 HA SER 90 -9.189 -2.558 -0.097 706 HB2 SER 90 HB2 SER 90 -10.053 -0.569 -1.517 707 HB3 SER 90 HB1 SER 90 -11.130 -1.759 -2.248 708 HG SER 90 HG SER 90 -11.548 -0.466 -0.044 709 H PHE 91 HN PHE 91 -10.037 -4.413 0.565 710 HA PHE 91 HA PHE 91 -11.397 -6.123 -1.388 711 HB2 PHE 91 HB2 PHE 91 -10.220 -7.917 0.411 712 HB3 PHE 91 HB1 PHE 91 -9.798 -7.673 -1.279 713 HD1 PHE 91 HD2 PHE 91 -8.229 -5.391 -1.508 714 HD2 PHE 91 HD1 PHE 91 -8.456 -8.048 1.804 715 HE1 PHE 91 HE2 PHE 91 -5.963 -4.736 -0.828 716 HE2 PHE 91 HE1 PHE 91 -6.187 -7.402 2.476 717 HZ PHE 91 HZ PHE 91 -4.935 -5.742 1.163 718 H ASN 92 HN ASN 92 -12.605 -7.940 -0.200 719 HA ASN 92 HA ASN 92 -14.093 -6.670 1.972 720 HB2 ASN 92 HB2 ASN 92 -14.780 -9.134 0.355 721 HB3 ASN 92 HB1 ASN 92 -15.837 -8.314 1.501 722 HD21 ASN 92 HD21 ASN 92 -15.377 -8.756 -1.640 723 HD22 ASN 92 HD22 ASN 92 -15.954 -7.255 -2.270 724 H ASN 93 HN ASN 93 -11.460 -7.901 2.386 725 HA ASN 93 HA ASN 93 -12.271 -9.888 4.392 726 HB2 ASN 93 HB2 ASN 93 -9.714 -10.035 2.793 727 HB3 ASN 93 HB1 ASN 93 -10.320 -11.226 3.941 728 HD21 ASN 93 HD21 ASN 93 -11.596 -12.803 3.224 729 HD22 ASN 93 HD22 ASN 93 -12.247 -12.909 1.628 730 H ARG 94 HN ARG 94 -11.918 -9.096 6.332 731 HA ARG 94 HA ARG 94 -9.922 -7.046 6.776 732 HB2 ARG 94 HB2 ARG 94 -12.267 -7.145 7.833 733 HB3 ARG 94 HB1 ARG 94 -11.595 -8.370 8.900 734 HG2 ARG 94 HG2 ARG 94 -10.060 -5.863 8.677 735 HG3 ARG 94 HG1 ARG 94 -11.630 -5.753 9.475 736 HD2 ARG 94 HD2 ARG 94 -9.942 -8.026 10.287 737 HD3 ARG 94 HD1 ARG 94 -9.332 -6.432 10.727 738 HE ARG 94 HE ARG 94 -11.597 -7.788 11.846 739 HH11 ARG 94 HH11 ARG 94 -10.181 -4.660 11.223 740 HH12 ARG 94 HH12 ARG 94 -11.040 -3.876 12.507 741 HH21 ARG 94 HH21 ARG 94 -12.728 -6.759 13.534 742 HH22 ARG 94 HH22 ARG 94 -12.485 -5.068 13.819 743 H THR 95 HN THR 95 -10.363 -10.457 7.371 744 HA THR 95 HA THR 95 -8.242 -10.759 9.219 745 HB THR 95 HB THR 95 -9.013 -13.058 7.619 746 HG1 THR 95 HG1 THR 95 -11.050 -12.647 7.566 747 HG21 THR 95 HG21 THR 95 -9.442 -14.086 9.732 748 HG22 THR 95 HG22 THR 95 -9.358 -12.520 10.538 749 HG23 THR 95 HG23 THR 95 -7.910 -13.217 9.814 750 H VAL 96 HN VAL 96 -8.618 -11.109 5.733 751 HA VAL 96 HA VAL 96 -6.058 -12.213 5.232 752 HB VAL 96 HB VAL 96 -7.736 -10.576 3.326 753 HG11 VAL 96 HG11 VAL 96 -6.469 -12.526 1.884 754 HG12 VAL 96 HG12 VAL 96 -5.251 -12.095 3.085 755 HG13 VAL 96 HG13 VAL 96 -5.930 -10.854 2.032 756 HG21 VAL 96 HG21 VAL 96 -8.739 -12.693 4.548 757 HG22 VAL 96 HG22 VAL 96 -7.792 -13.548 3.331 758 HG23 VAL 96 HG23 VAL 96 -9.029 -12.394 2.835 759 H MET 97 HN MET 97 -7.305 -8.912 4.661 760 HA MET 97 HA MET 97 -5.028 -7.635 3.876 761 HB2 MET 97 HB2 MET 97 -5.950 -5.606 5.123 762 HB3 MET 97 HB1 MET 97 -6.997 -6.355 3.928 763 HG2 MET 97 HG2 MET 97 -8.557 -6.387 5.494 764 HG3 MET 97 HG1 MET 97 -7.637 -7.678 6.257 765 HE1 MET 97 HE1 MET 97 -8.223 -3.440 6.905 766 HE2 MET 97 HE2 MET 97 -7.326 -4.095 5.535 767 HE3 MET 97 HE3 MET 97 -6.460 -3.437 6.924 768 H ASP 98 HN ASP 98 -6.022 -7.946 7.287 769 HA ASP 98 HA ASP 98 -3.726 -6.769 8.375 770 HB2 ASP 98 HB2 ASP 98 -5.909 -8.504 9.417 771 HB3 ASP 98 HB1 ASP 98 -4.464 -8.322 10.407 772 H ASN 99 HN ASN 99 -4.212 -9.918 7.055 773 HA ASN 99 HA ASN 99 -1.957 -11.084 8.444 774 HB2 ASN 99 HB2 ASN 99 -4.042 -12.057 6.562 775 HB3 ASN 99 HB1 ASN 99 -2.515 -12.934 6.599 776 HD21 ASN 99 HD21 ASN 99 -4.910 -14.092 7.340 777 HD22 ASN 99 HD22 ASN 99 -4.876 -14.427 9.034 778 H ILE 100 HN ILE 100 -2.637 -9.741 5.260 779 HA ILE 100 HA ILE 100 -0.059 -10.594 4.247 780 HB ILE 100 HB ILE 100 -2.054 -10.567 2.778 781 HG12 ILE 100 HG12 ILE 100 0.298 -8.836 2.003 782 HG13 ILE 100 HG11 ILE 100 0.120 -10.570 1.753 783 HG21 ILE 100 HG21 ILE 100 -3.369 -8.795 2.588 784 HG22 ILE 100 HG22 ILE 100 -2.012 -7.788 2.086 785 HG23 ILE 100 HG23 ILE 100 -2.385 -7.977 3.799 786 HD11 ILE 100 HD11 ILE 100 -1.565 -10.229 0.106 787 HD12 ILE 100 HD12 ILE 100 -0.197 -9.187 -0.284 788 HD13 ILE 100 HD13 ILE 100 -1.641 -8.502 0.466 789 H LYS 101 HN LYS 101 -1.514 -7.670 5.523 790 HA LYS 101 HA LYS 101 0.667 -5.984 4.673 791 HB2 LYS 101 HB2 LYS 101 -1.723 -5.207 5.040 792 HB3 LYS 101 HB1 LYS 101 -1.413 -5.342 6.764 793 HG2 LYS 101 HG2 LYS 101 0.437 -3.723 5.082 794 HG3 LYS 101 HG1 LYS 101 -1.134 -3.057 5.522 795 HD2 LYS 101 HD2 LYS 101 0.793 -4.187 7.540 796 HD3 LYS 101 HD1 LYS 101 0.781 -2.489 7.070 797 HE2 LYS 101 HE2 LYS 101 -1.319 -2.118 8.006 798 HE3 LYS 101 HE1 LYS 101 -1.721 -3.835 8.012 799 HZ1 LYS 101 HZ1 LYS 101 0.572 -3.376 9.598 800 HZ2 LYS 101 HZ2 LYS 101 -0.924 -4.018 10.054 801 HZ3 LYS 101 HZ3 LYS 101 -0.675 -2.346 10.097 802 H MET 102 HN MET 102 -0.349 -7.648 7.585 803 HA MET 102 HA MET 102 1.275 -6.566 9.510 804 HB2 MET 102 HB2 MET 102 0.052 -9.202 9.060 805 HB3 MET 102 HB1 MET 102 1.453 -9.229 10.121 806 HG2 MET 102 HG2 MET 102 0.423 -7.593 11.576 807 HG3 MET 102 HG1 MET 102 -0.959 -7.468 10.489 808 HE1 MET 102 HE1 MET 102 0.806 -9.777 13.264 809 HE2 MET 102 HE2 MET 102 -0.753 -9.975 14.063 810 HE3 MET 102 HE3 MET 102 -0.164 -8.361 13.667 811 H THR 103 HN THR 103 2.165 -8.690 6.890 812 HA THR 103 HA THR 103 4.864 -9.081 7.864 813 HB THR 103 HB THR 103 3.529 -9.850 5.262 814 HG1 THR 103 HG1 THR 103 4.079 -11.255 7.652 815 HG21 THR 103 HG21 THR 103 6.220 -9.693 5.585 816 HG22 THR 103 HG22 THR 103 5.395 -10.811 4.500 817 HG23 THR 103 HG23 THR 103 5.895 -11.346 6.104 818 H LEU 104 HN LEU 104 3.157 -7.003 5.655 819 HA LEU 104 HA LEU 104 5.526 -6.021 4.347 820 HB2 LEU 104 HB2 LEU 104 2.655 -5.116 4.333 821 HB3 LEU 104 HB1 LEU 104 3.917 -4.312 3.421 822 HG LEU 104 HG LEU 104 2.477 -6.809 2.848 823 HD11 LEU 104 HD11 LEU 104 3.799 -4.589 1.359 824 HD12 LEU 104 HD12 LEU 104 2.116 -5.117 1.325 825 HD13 LEU 104 HD13 LEU 104 3.359 -6.079 0.524 826 HD21 LEU 104 HD21 LEU 104 5.463 -6.634 2.491 827 HD22 LEU 104 HD22 LEU 104 4.439 -7.714 1.548 828 HD23 LEU 104 HD23 LEU 104 4.538 -7.900 3.299 829 H GLN 105 HN GLN 105 3.403 -4.948 6.951 830 HA GLN 105 HA GLN 105 4.182 -2.339 7.285 831 HB2 GLN 105 HB2 GLN 105 2.448 -3.361 8.653 832 HB3 GLN 105 HB1 GLN 105 3.636 -4.396 9.433 833 HG2 GLN 105 HG2 GLN 105 4.535 -2.657 10.667 834 HG3 GLN 105 HG1 GLN 105 3.896 -1.424 9.581 835 HE21 GLN 105 HE21 GLN 105 1.610 -1.025 9.621 836 HE22 GLN 105 HE22 GLN 105 0.712 -1.303 11.070 837 H GLN 106 HN GLN 106 5.823 -5.240 8.488 838 HA GLN 106 HA GLN 106 7.935 -3.805 9.755 839 HB2 GLN 106 HB2 GLN 106 8.020 -6.673 8.817 840 HB3 GLN 106 HB1 GLN 106 8.959 -5.939 10.110 841 HG2 GLN 106 HG2 GLN 106 6.086 -5.706 10.511 842 HG3 GLN 106 HG1 GLN 106 6.644 -7.375 10.409 843 HE21 GLN 106 HE21 GLN 106 6.070 -7.612 12.616 844 HE22 GLN 106 HE22 GLN 106 7.102 -7.015 13.867 845 H ILE 107 HN ILE 107 7.502 -5.332 6.601 846 HA ILE 107 HA ILE 107 10.106 -5.185 5.670 847 HB ILE 107 HB ILE 107 7.487 -5.651 4.543 848 HG12 ILE 107 HG12 ILE 107 10.220 -6.417 3.539 849 HG13 ILE 107 HG11 ILE 107 9.412 -7.214 4.887 850 HG21 ILE 107 HG21 ILE 107 7.789 -3.663 3.243 851 HG22 ILE 107 HG22 ILE 107 8.077 -5.055 2.200 852 HG23 ILE 107 HG23 ILE 107 9.439 -4.126 2.826 853 HD11 ILE 107 HD11 ILE 107 8.025 -7.003 2.253 854 HD12 ILE 107 HD12 ILE 107 7.824 -8.196 3.536 855 HD13 ILE 107 HD13 ILE 107 9.258 -8.238 2.509 856 H ILE 108 HN ILE 108 7.495 -2.768 5.322 857 HA ILE 108 HA ILE 108 9.151 -0.927 3.938 858 HB ILE 108 HB ILE 108 6.767 -0.118 5.574 859 HG12 ILE 108 HG12 ILE 108 6.031 -2.018 4.267 860 HG13 ILE 108 HG11 ILE 108 5.402 -0.547 3.534 861 HG21 ILE 108 HG21 ILE 108 7.079 1.098 2.983 862 HG22 ILE 108 HG22 ILE 108 8.558 1.252 3.933 863 HG23 ILE 108 HG23 ILE 108 7.027 1.849 4.578 864 HD11 ILE 108 HD11 ILE 108 6.850 -0.685 1.724 865 HD12 ILE 108 HD12 ILE 108 6.359 -2.356 2.005 866 HD13 ILE 108 HD13 ILE 108 7.937 -1.796 2.558 867 H SER 109 HN SER 109 8.381 -1.484 7.278 868 HA SER 109 HA SER 109 9.632 0.866 8.289 869 HB2 SER 109 HB2 SER 109 7.893 -0.823 9.381 870 HB3 SER 109 HB1 SER 109 9.368 -1.585 9.976 871 HG SER 109 HG SER 109 8.481 0.047 11.387 872 H ARG 110 HN ARG 110 10.742 -2.246 7.284 873 HA ARG 110 HA ARG 110 13.325 -1.867 8.592 874 HB2 ARG 110 HB2 ARG 110 13.715 -4.119 8.334 875 HB3 ARG 110 HB1 ARG 110 11.961 -4.114 8.433 876 HG2 ARG 110 HG2 ARG 110 11.808 -4.266 6.011 877 HG3 ARG 110 HG1 ARG 110 13.566 -4.219 5.887 878 HD2 ARG 110 HD2 ARG 110 12.478 -6.279 7.684 879 HD3 ARG 110 HD1 ARG 110 12.102 -6.493 5.975 880 HE ARG 110 HE ARG 110 14.822 -5.938 6.173 881 HH11 ARG 110 HH11 ARG 110 12.593 -8.441 7.143 882 HH12 ARG 110 HH12 ARG 110 13.782 -9.698 7.080 883 HH21 ARG 110 HH21 ARG 110 16.387 -7.590 6.089 884 HH22 ARG 110 HH22 ARG 110 15.936 -9.215 6.482 885 H TYR 111 HN TYR 111 11.916 -2.248 5.341 886 HA TYR 111 HA TYR 111 14.395 -1.917 3.982 887 HB2 TYR 111 HB2 TYR 111 11.514 -1.866 3.171 888 HB3 TYR 111 HB1 TYR 111 12.732 -1.288 2.042 889 HD1 TYR 111 HD2 TYR 111 14.136 -3.835 4.055 890 HD2 TYR 111 HD1 TYR 111 11.554 -3.226 0.727 891 HE1 TYR 111 HE2 TYR 111 14.546 -6.144 3.320 892 HE2 TYR 111 HE1 TYR 111 11.958 -5.533 -0.015 893 HH TYR 111 HH TYR 111 13.364 -7.872 1.930 894 H LYS 112 HN LYS 112 12.455 0.279 5.647 895 HA LYS 112 HA LYS 112 12.993 2.581 4.006 896 HB2 LYS 112 HB2 LYS 112 11.579 2.016 6.548 897 HB3 LYS 112 HB1 LYS 112 12.215 3.643 6.357 898 HG2 LYS 112 HG2 LYS 112 10.489 2.338 4.279 899 HG3 LYS 112 HG1 LYS 112 9.820 3.244 5.638 900 HD2 LYS 112 HD2 LYS 112 11.700 4.288 3.518 901 HD3 LYS 112 HD1 LYS 112 9.990 4.686 3.700 902 HE2 LYS 112 HE2 LYS 112 10.596 5.554 6.010 903 HE3 LYS 112 HE1 LYS 112 12.280 5.428 5.503 904 HZ1 LYS 112 HZ1 LYS 112 11.700 7.610 5.023 905 HZ2 LYS 112 HZ2 LYS 112 10.166 7.196 4.443 906 HZ3 LYS 112 HZ3 LYS 112 11.541 6.838 3.525 907 H ASP 113 HN ASP 113 14.100 1.414 7.174 908 HA ASP 113 HA ASP 113 15.915 3.479 7.696 909 HB2 ASP 113 HB2 ASP 113 15.564 0.692 8.706 910 HB3 ASP 113 HB1 ASP 113 17.032 1.569 9.127 911 H ALA 114 HN ALA 114 16.112 0.977 5.408 912 HA ALA 114 HA ALA 114 18.983 1.530 5.067 913 HB1 ALA 114 HB1 ALA 114 19.501 -0.672 4.806 914 HB2 ALA 114 HB2 ALA 114 17.894 -1.094 4.210 915 HB3 ALA 114 HB3 ALA 114 18.152 -0.819 5.934 916 H ASP 115 HN ASP 115 16.240 0.050 3.323 917 HA ASP 115 HA ASP 115 15.646 0.111 1.122 918 HB2 ASP 115 HB2 ASP 115 14.959 2.359 1.984 919 HB3 ASP 115 HB1 ASP 115 16.473 3.007 1.360 920 H2 PRO 59 HT1 PRO 59 -27.354 -5.795 4.984 921 H3 PRO 59 HT2 PRO 59 -27.884 -7.350 4.878 922 HA PRO 59 HA PRO 59 -29.678 -6.874 3.931 923 HB2 PRO 59 HB2 PRO 59 -30.477 -4.293 4.805 924 HB3 PRO 59 HB1 PRO 59 -31.191 -5.851 5.240 925 HG2 PRO 59 HG2 PRO 59 -29.171 -4.226 6.687 926 HG3 PRO 59 HG1 PRO 59 -30.414 -5.314 7.330 927 HD2 PRO 59 HD2 PRO 59 -27.847 -6.035 7.330 928 HD3 PRO 59 HD1 PRO 59 -29.116 -7.218 6.956 929 H GLY 60 HN GLY 60 -27.102 -6.214 3.008 930 HA2 GLY 60 HA2 GLY 60 -27.578 -4.796 0.714 931 HA3 GLY 60 HA1 GLY 60 -27.085 -3.577 1.879 932 H GLU 61 HN GLU 61 -25.004 -4.076 3.058 933 HA GLU 61 HA GLU 61 -22.756 -4.410 2.996 934 HB2 GLU 61 HB2 GLU 61 -23.830 -6.806 1.589 935 HB3 GLU 61 HB1 GLU 61 -22.102 -6.501 1.482 936 HG2 GLU 61 HG2 GLU 61 -22.599 -8.016 3.302 937 HG3 GLU 61 HG1 GLU 61 -21.947 -6.498 3.917 938 H GLU 62 HN GLU 62 -22.418 -2.440 1.888 939 HA GLU 62 HA GLU 62 -20.900 -2.643 -0.462 940 HB2 GLU 62 HB2 GLU 62 -23.048 -3.011 -1.566 941 HB3 GLU 62 HB1 GLU 62 -23.688 -1.537 -0.853 942 HG2 GLU 62 HG2 GLU 62 -23.109 -0.592 -2.786 943 HG3 GLU 62 HG1 GLU 62 -21.474 -0.605 -2.127 944 H GLU 63 HN GLU 63 -19.720 -0.810 -0.806 945 HA GLU 63 HA GLU 63 -20.547 1.661 0.513 946 HB2 GLU 63 HB2 GLU 63 -18.199 -0.000 1.238 947 HB3 GLU 63 HB1 GLU 63 -17.935 1.736 1.152 948 HG2 GLU 63 HG2 GLU 63 -19.230 2.168 2.961 949 HG3 GLU 63 HG1 GLU 63 -20.305 0.804 2.657 950 H ASP 64 HN ASP 64 -17.336 0.866 -0.727 951 HA ASP 64 HA ASP 64 -16.067 1.948 -2.297 952 HB2 ASP 64 HB2 ASP 64 -17.473 0.264 -3.572 953 HB3 ASP 64 HB1 ASP 64 -18.520 1.605 -4.025 954 H ASP 65 HN ASP 65 -16.960 3.862 -0.681 955 HA ASP 65 HA ASP 65 -16.923 6.179 -2.256 956 HB2 ASP 65 HB2 ASP 65 -19.426 5.108 -2.327 957 HB3 ASP 65 HB1 ASP 65 -19.561 6.173 -0.931 958 H GLU 66 HN GLU 66 -15.409 6.889 -0.817 959 HA GLU 66 HA GLU 66 -14.479 7.643 1.127 960 HB2 GLU 66 HB2 GLU 66 -15.740 9.376 2.234 961 HB3 GLU 66 HB1 GLU 66 -16.028 9.475 0.503 962 HG2 GLU 66 HG2 GLU 66 -18.200 8.644 0.697 963 HG3 GLU 66 HG1 GLU 66 -17.909 8.011 2.316 964 H ARG 67 HN ARG 67 -15.369 4.989 1.354 965 HA ARG 67 HA ARG 67 -15.839 4.875 4.210 966 HB2 ARG 67 HB2 ARG 67 -17.448 3.386 2.151 967 HB3 ARG 67 HB1 ARG 67 -17.413 2.937 3.850 968 HG2 ARG 67 HG2 ARG 67 -18.174 5.704 2.995 969 HG3 ARG 67 HG1 ARG 67 -19.349 4.387 3.010 970 HD2 ARG 67 HD2 ARG 67 -17.716 4.688 5.447 971 HD3 ARG 67 HD1 ARG 67 -18.858 5.992 5.121 972 HE ARG 67 HE ARG 67 -20.024 3.380 4.902 973 HH11 ARG 67 HH11 ARG 67 -19.182 5.944 7.114 974 HH12 ARG 67 HH12 ARG 67 -20.370 5.491 8.289 975 HH21 ARG 67 HH21 ARG 67 -21.588 2.782 6.446 976 HH22 ARG 67 HH22 ARG 67 -21.736 3.695 7.910 977 H GLY 68 HN GLY 68 -15.471 2.716 1.451 978 HA2 GLY 68 HA2 GLY 68 -13.760 0.954 2.963 979 HA3 GLY 68 HA1 GLY 68 -14.300 0.708 1.313 980 H ALA 69 HN ALA 69 -12.936 3.774 2.091 981 HA ALA 69 HA ALA 69 -10.229 3.053 1.427 982 HB1 ALA 69 HB1 ALA 69 -11.920 4.605 -0.523 983 HB2 ALA 69 HB2 ALA 69 -11.071 3.085 -0.802 984 HB3 ALA 69 HB3 ALA 69 -10.157 4.574 -0.564 985 H ASP 70 HN ASP 70 -11.646 4.371 3.612 986 HA ASP 70 HA ASP 70 -10.017 6.779 3.714 987 HB2 ASP 70 HB2 ASP 70 -12.158 7.538 2.792 988 HB3 ASP 70 HB1 ASP 70 -13.001 6.853 4.178 989 H ALA 71 HN ALA 71 -9.148 4.915 5.154 990 HA ALA 71 HA ALA 71 -9.444 5.722 7.836 991 HB1 ALA 71 HB1 ALA 71 -11.545 4.356 7.530 992 HB2 ALA 71 HB2 ALA 71 -10.506 3.894 8.885 993 HB3 ALA 71 HB3 ALA 71 -10.494 2.948 7.389 994 H THR 72 HN THR 72 -7.456 5.084 5.734 995 HA THR 72 HA THR 72 -5.827 3.179 7.267 996 HB THR 72 HB THR 72 -4.747 3.215 4.712 997 HG1 THR 72 HG1 THR 72 -6.903 4.187 4.177 998 HG21 THR 72 HG21 THR 72 -4.715 1.134 5.544 999 HG22 THR 72 HG22 THR 72 -6.188 0.980 4.585 1000 HG23 THR 72 HG23 THR 72 -6.290 1.299 6.316 1001 H TRP 73 HN TRP 73 -6.146 6.366 6.459 1002 HA TRP 73 HA TRP 73 -3.268 6.861 6.252 1003 HB2 TRP 73 HB2 TRP 73 -5.113 9.170 6.212 1004 HB3 TRP 73 HB1 TRP 73 -3.745 8.804 5.169 1005 HD1 TRP 73 HD1 TRP 73 -6.974 9.628 4.479 1006 HE1 TRP 73 HE1 TRP 73 -8.090 8.257 2.606 1007 HE3 TRP 73 HE3 TRP 73 -3.819 5.652 4.432 1008 HZ2 TRP 73 HZ2 TRP 73 -7.666 5.777 1.291 1009 HZ3 TRP 73 HZ3 TRP 73 -4.234 3.813 2.859 1010 HH2 TRP 73 HH2 TRP 73 -6.102 3.890 1.325 1011 H ASP 74 HN ASP 74 -4.120 5.902 8.720 1012 HA ASP 74 HA ASP 74 -3.195 8.002 10.425 1013 HB2 ASP 74 HB2 ASP 74 -5.763 8.322 10.043 1014 HB3 ASP 74 HB1 ASP 74 -5.912 6.980 11.172 1015 H LEU 75 HN LEU 75 -2.618 5.149 9.704 1016 HA LEU 75 HA LEU 75 -2.300 4.229 12.447 1017 HB2 LEU 75 HB2 LEU 75 -2.968 1.908 11.798 1018 HB3 LEU 75 HB1 LEU 75 -4.267 3.076 11.917 1019 HG LEU 75 HG LEU 75 -4.493 1.528 9.992 1020 HD11 LEU 75 HD11 LEU 75 -4.107 4.012 8.561 1021 HD12 LEU 75 HD12 LEU 75 -4.949 4.242 10.091 1022 HD13 LEU 75 HD13 LEU 75 -5.593 3.123 8.889 1023 HD21 LEU 75 HD21 LEU 75 -1.921 1.597 9.611 1024 HD22 LEU 75 HD22 LEU 75 -2.299 3.008 8.623 1025 HD23 LEU 75 HD23 LEU 75 -3.008 1.444 8.229 1026 H ASP 76 HN ASP 76 -1.094 4.403 9.246 1027 HA ASP 76 HA ASP 76 1.176 2.764 10.089 1028 HB2 ASP 76 HB2 ASP 76 -0.492 2.517 7.754 1029 HB3 ASP 76 HB1 ASP 76 1.187 2.774 7.294 1030 H LEU 77 HN LEU 77 0.392 5.838 9.735 1031 HA LEU 77 HA LEU 77 2.584 6.724 8.069 1032 HB2 LEU 77 HB2 LEU 77 0.487 8.148 9.684 1033 HB3 LEU 77 HB1 LEU 77 1.789 9.009 8.888 1034 HG LEU 77 HG LEU 77 -0.679 8.466 7.814 1035 HD11 LEU 77 HD11 LEU 77 1.440 9.978 7.181 1036 HD12 LEU 77 HD12 LEU 77 0.062 9.735 6.108 1037 HD13 LEU 77 HD13 LEU 77 1.529 8.781 5.888 1038 HD21 LEU 77 HD21 LEU 77 -0.296 6.914 5.956 1039 HD22 LEU 77 HD22 LEU 77 -0.176 6.110 7.520 1040 HD23 LEU 77 HD23 LEU 77 1.287 6.514 6.621 1041 H LEU 78 HN LEU 78 3.853 5.302 9.823 1042 HA LEU 78 HA LEU 78 5.656 6.996 11.076 1043 HB2 LEU 78 HB2 LEU 78 5.090 6.379 13.485 1044 HB3 LEU 78 HB1 LEU 78 4.132 7.628 12.714 1045 HG LEU 78 HG LEU 78 2.643 5.414 12.159 1046 HD11 LEU 78 HD11 LEU 78 4.340 4.809 14.469 1047 HD12 LEU 78 HD12 LEU 78 3.430 3.732 13.411 1048 HD13 LEU 78 HD13 LEU 78 2.615 4.560 14.738 1049 HD21 LEU 78 HD21 LEU 78 1.066 6.455 13.406 1050 HD22 LEU 78 HD22 LEU 78 2.253 7.759 13.380 1051 HD23 LEU 78 HD23 LEU 78 2.148 6.691 14.779 1052 H LEU 79 HN LEU 79 6.655 5.253 9.729 1053 HA LEU 79 HA LEU 79 6.893 2.694 11.130 1054 HB2 LEU 79 HB2 LEU 79 7.790 3.528 8.371 1055 HB3 LEU 79 HB1 LEU 79 8.017 1.929 9.055 1056 HG LEU 79 HG LEU 79 5.365 2.122 9.351 1057 HD11 LEU 79 HD11 LEU 79 5.072 4.298 8.449 1058 HD12 LEU 79 HD12 LEU 79 4.470 3.155 7.248 1059 HD13 LEU 79 HD13 LEU 79 6.048 3.912 7.031 1060 HD21 LEU 79 HD21 LEU 79 5.312 0.470 7.832 1061 HD22 LEU 79 HD22 LEU 79 7.066 0.646 7.836 1062 HD23 LEU 79 HD23 LEU 79 6.103 1.445 6.593 1063 H THR 80 HN THR 80 9.303 4.404 9.158 1064 HA THR 80 HA THR 80 11.284 3.836 11.198 1065 HB THR 80 HB THR 80 12.916 4.549 9.423 1066 HG1 THR 80 HG1 THR 80 10.662 4.474 7.715 1067 HG21 THR 80 HG21 THR 80 11.074 2.398 8.426 1068 HG22 THR 80 HG22 THR 80 12.229 2.161 9.737 1069 HG23 THR 80 HG23 THR 80 12.802 2.577 8.122 1070 H ASN 81 HN ASN 81 9.471 5.835 11.885 1071 HA ASN 81 HA ASN 81 11.214 8.208 11.859 1072 HB2 ASN 81 HB2 ASN 81 8.222 8.057 11.523 1073 HB3 ASN 81 HB1 ASN 81 9.027 9.535 12.044 1074 HD21 ASN 81 HD21 ASN 81 7.955 7.794 9.431 1075 HD22 ASN 81 HD22 ASN 81 8.837 8.603 8.184 1076 H PHE 82 HN PHE 82 8.625 6.488 13.569 1077 HA PHE 82 HA PHE 82 9.401 7.837 16.054 1078 HB2 PHE 82 HB2 PHE 82 6.928 7.466 15.082 1079 HB3 PHE 82 HB1 PHE 82 7.090 5.971 15.997 1080 HD1 PHE 82 HD2 PHE 82 7.424 6.042 18.434 1081 HD2 PHE 82 HD1 PHE 82 6.675 9.566 16.169 1082 HE1 PHE 82 HE2 PHE 82 6.845 7.244 20.502 1083 HE2 PHE 82 HE1 PHE 82 6.096 10.775 18.232 1084 HZ PHE 82 HZ PHE 82 6.179 9.613 20.402 1085 H SER 83 HN SER 83 11.016 5.742 14.818 1086 HA SER 83 HA SER 83 11.347 4.086 17.153 1087 HB2 SER 83 HB2 SER 83 9.690 2.742 16.022 1088 HB3 SER 83 HB1 SER 83 10.570 2.860 14.498 1089 HG SER 83 HG SER 83 11.409 1.537 16.864 1090 H GLY 84 HN GLY 84 12.859 6.083 15.638 1091 HA2 GLY 84 HA2 GLY 84 14.877 4.888 14.075 1092 HA3 GLY 84 HA1 GLY 84 14.999 6.441 14.888 1093 HA PRO 85 HA PRO 85 17.647 3.036 16.954 1094 HB2 PRO 85 HB2 PRO 85 20.088 3.710 15.981 1095 HB3 PRO 85 HB1 PRO 85 19.033 2.534 15.190 1096 HG2 PRO 85 HG2 PRO 85 19.467 5.425 14.543 1097 HG3 PRO 85 HG1 PRO 85 19.348 4.038 13.444 1098 HD2 PRO 85 HD2 PRO 85 17.280 5.730 13.885 1099 HD3 PRO 85 HD1 PRO 85 17.045 4.006 13.533 Start of MODEL 17 1 H2 PRO 1 HT1 PRO 1 -0.039 -18.038 5.606 2 H3 PRO 1 HT2 PRO 1 -0.939 -19.354 5.202 3 HA PRO 1 HA PRO 1 -2.433 -17.890 5.098 4 HB2 PRO 1 HB2 PRO 1 -3.355 -17.897 7.699 5 HB3 PRO 1 HB1 PRO 1 -3.603 -19.204 6.534 6 HG2 PRO 1 HG2 PRO 1 -2.002 -19.265 8.895 7 HG3 PRO 1 HG1 PRO 1 -2.181 -20.537 7.676 8 HD2 PRO 1 HD2 PRO 1 -0.043 -18.473 7.964 9 HD3 PRO 1 HD1 PRO 1 0.063 -20.126 7.324 10 H SER 2 HN SER 2 0.009 -16.435 5.514 11 HA SER 2 HA SER 2 -1.056 -14.099 6.951 12 HB2 SER 2 HB2 SER 2 0.668 -14.999 8.365 13 HB3 SER 2 HB1 SER 2 1.775 -15.162 7.001 14 HG SER 2 HG SER 2 0.848 -12.789 8.231 15 H HIS 3 HN HIS 3 1.365 -15.173 4.573 16 HA HIS 3 HA HIS 3 1.558 -12.566 3.381 17 HB2 HIS 3 HB2 HIS 3 2.595 -15.257 2.467 18 HB3 HIS 3 HB1 HIS 3 2.973 -13.726 1.687 19 HD1 HIS 3 HD1 HIS 3 3.034 -14.567 5.400 20 HD2 HIS 3 HD2 HIS 3 5.574 -13.345 2.346 21 HE1 HIS 3 HE1 HIS 3 5.250 -14.129 6.503 22 HE2 HIS 3 HE2 HIS 3 6.748 -13.313 4.650 23 H SER 4 HN SER 4 -0.099 -15.557 2.695 24 HA SER 4 HA SER 4 -1.170 -14.484 0.214 25 HB2 SER 4 HB2 SER 4 -2.019 -17.107 1.402 26 HB3 SER 4 HB1 SER 4 -1.946 -16.623 -0.294 27 HG SER 4 HG SER 4 0.324 -16.678 -0.141 28 H GLY 5 HN GLY 5 -3.118 -13.680 -0.046 29 HA2 GLY 5 HA2 GLY 5 -5.296 -14.188 1.763 30 HA3 GLY 5 HA1 GLY 5 -4.631 -12.564 1.910 31 H ALA 6 HN ALA 6 -7.106 -12.409 1.191 32 HA ALA 6 HA ALA 6 -7.162 -12.394 -1.745 33 HB1 ALA 6 HB1 ALA 6 -9.643 -12.144 -1.455 34 HB2 ALA 6 HB2 ALA 6 -9.393 -12.426 0.269 35 HB3 ALA 6 HB3 ALA 6 -8.960 -13.674 -0.901 36 H ALA 7 HN ALA 7 -7.561 -10.598 -2.890 37 HA ALA 7 HA ALA 7 -8.232 -8.103 -1.564 38 HB1 ALA 7 HB1 ALA 7 -5.669 -8.484 -1.584 39 HB2 ALA 7 HB2 ALA 7 -6.309 -6.920 -2.091 40 HB3 ALA 7 HB3 ALA 7 -5.797 -8.098 -3.300 41 H ILE 8 HN ILE 8 -8.779 -6.388 -3.107 42 HA ILE 8 HA ILE 8 -9.321 -7.438 -5.800 43 HB ILE 8 HB ILE 8 -11.246 -5.821 -4.131 44 HG12 ILE 8 HG12 ILE 8 -11.962 -8.460 -5.268 45 HG13 ILE 8 HG11 ILE 8 -10.807 -8.476 -3.938 46 HG21 ILE 8 HG21 ILE 8 -12.690 -6.592 -6.241 47 HG22 ILE 8 HG22 ILE 8 -11.106 -6.493 -7.010 48 HG23 ILE 8 HG23 ILE 8 -11.789 -5.075 -6.212 49 HD11 ILE 8 HD11 ILE 8 -12.737 -8.633 -2.762 50 HD12 ILE 8 HD12 ILE 8 -13.671 -7.735 -3.959 51 HD13 ILE 8 HD13 ILE 8 -12.605 -6.876 -2.847 52 H PHE 9 HN PHE 9 -9.240 -6.016 -7.481 53 HA PHE 9 HA PHE 9 -8.656 -3.210 -6.954 54 HB2 PHE 9 HB2 PHE 9 -6.451 -4.246 -6.975 55 HB3 PHE 9 HB1 PHE 9 -6.808 -5.033 -8.509 56 HD1 PHE 9 HD1 PHE 9 -7.103 -3.647 -10.549 57 HD2 PHE 9 HD2 PHE 9 -5.649 -2.035 -6.891 58 HE1 PHE 9 HE1 PHE 9 -6.197 -1.706 -11.768 59 HE2 PHE 9 HE2 PHE 9 -4.744 -0.091 -8.097 60 HZ PHE 9 HZ PHE 9 -5.018 0.075 -10.541 61 H GLU 10 HN GLU 10 -9.289 -1.848 -8.592 62 HA GLU 10 HA GLU 10 -10.640 -1.179 -10.296 63 HB2 GLU 10 HB2 GLU 10 -8.618 -2.982 -11.431 64 HB3 GLU 10 HB1 GLU 10 -10.024 -2.733 -12.455 65 HG2 GLU 10 HG2 GLU 10 -9.702 -0.317 -12.305 66 HG3 GLU 10 HG1 GLU 10 -8.276 -0.577 -11.300 67 H LYS 11 HN LYS 11 -11.865 -3.044 -8.584 68 HA LYS 11 HA LYS 11 -13.810 -4.208 -8.435 69 HB2 LYS 11 HB2 LYS 11 -14.350 -4.029 -11.361 70 HB3 LYS 11 HB1 LYS 11 -15.452 -3.844 -10.004 71 HG2 LYS 11 HG2 LYS 11 -14.129 -1.659 -9.552 72 HG3 LYS 11 HG1 LYS 11 -13.605 -1.838 -11.228 73 HD2 LYS 11 HD2 LYS 11 -15.535 -0.452 -11.254 74 HD3 LYS 11 HD1 LYS 11 -16.038 -2.035 -11.850 75 HE2 LYS 11 HE2 LYS 11 -17.707 -1.791 -10.360 76 HE3 LYS 11 HE1 LYS 11 -16.492 -2.332 -9.202 77 HZ1 LYS 11 HZ1 LYS 11 -15.961 0.026 -8.791 78 HZ2 LYS 11 HZ2 LYS 11 -17.553 -0.368 -8.376 79 HZ3 LYS 11 HZ3 LYS 11 -17.237 0.478 -9.806 80 H VAL 12 HN VAL 12 -11.164 -5.405 -9.480 81 HA VAL 12 HA VAL 12 -12.346 -7.926 -10.462 82 HB VAL 12 HB VAL 12 -9.488 -7.078 -10.922 83 HG11 VAL 12 HG11 VAL 12 -10.164 -8.791 -12.915 84 HG12 VAL 12 HG12 VAL 12 -11.140 -9.414 -11.585 85 HG13 VAL 12 HG13 VAL 12 -9.391 -9.272 -11.405 86 HG21 VAL 12 HG21 VAL 12 -11.835 -6.764 -12.793 87 HG22 VAL 12 HG22 VAL 12 -10.144 -6.482 -13.208 88 HG23 VAL 12 HG23 VAL 12 -10.943 -5.456 -12.016 89 H SER 13 HN SER 13 -12.296 -9.492 -8.981 90 HA SER 13 HA SER 13 -10.594 -9.205 -6.672 91 HB2 SER 13 HB2 SER 13 -11.764 -11.237 -5.842 92 HB3 SER 13 HB1 SER 13 -12.867 -9.936 -6.290 93 HG SER 13 HG SER 13 -13.537 -11.062 -7.996 94 H GLY 14 HN GLY 14 -9.207 -10.764 -5.861 95 HA2 GLY 14 HA2 GLY 14 -8.301 -13.010 -7.360 96 HA3 GLY 14 HA1 GLY 14 -7.224 -11.632 -7.558 97 H ILE 15 HN ILE 15 -5.894 -13.533 -6.473 98 HA ILE 15 HA ILE 15 -6.140 -13.257 -3.552 99 HB ILE 15 HB ILE 15 -4.377 -15.300 -4.866 100 HG12 ILE 15 HG12 ILE 15 -6.563 -16.771 -4.273 101 HG13 ILE 15 HG11 ILE 15 -7.341 -15.266 -4.753 102 HG21 ILE 15 HG21 ILE 15 -5.142 -16.525 -2.719 103 HG22 ILE 15 HG22 ILE 15 -5.665 -14.927 -2.188 104 HG23 ILE 15 HG23 ILE 15 -3.967 -15.217 -2.579 105 HD11 ILE 15 HD11 ILE 15 -6.924 -17.087 -6.521 106 HD12 ILE 15 HD12 ILE 15 -5.257 -16.513 -6.490 107 HD13 ILE 15 HD13 ILE 15 -6.562 -15.409 -6.923 108 H ILE 16 HN ILE 16 -4.574 -12.365 -2.407 109 HA ILE 16 HA ILE 16 -2.287 -11.242 -3.855 110 HB ILE 16 HB ILE 16 -3.765 -9.630 -2.805 111 HG12 ILE 16 HG12 ILE 16 -1.367 -9.643 -1.013 112 HG13 ILE 16 HG11 ILE 16 -1.163 -9.433 -2.751 113 HG21 ILE 16 HG21 ILE 16 -3.929 -9.554 -0.310 114 HG22 ILE 16 HG22 ILE 16 -3.231 -11.172 -0.282 115 HG23 ILE 16 HG23 ILE 16 -4.780 -10.894 -1.080 116 HD11 ILE 16 HD11 ILE 16 -2.291 -7.605 -0.740 117 HD12 ILE 16 HD12 ILE 16 -3.103 -7.642 -2.309 118 HD13 ILE 16 HD13 ILE 16 -1.381 -7.261 -2.213 119 H ALA 17 HN ALA 17 -0.272 -11.963 -3.420 120 HA ALA 17 HA ALA 17 0.233 -13.288 -0.842 121 HB1 ALA 17 HB1 ALA 17 -0.308 -14.953 -2.644 122 HB2 ALA 17 HB2 ALA 17 1.253 -15.174 -1.850 123 HB3 ALA 17 HB3 ALA 17 1.175 -14.438 -3.453 124 H ILE 18 HN ILE 18 2.217 -12.985 0.031 125 HA ILE 18 HA ILE 18 4.011 -11.098 -1.311 126 HB ILE 18 HB ILE 18 4.203 -12.190 1.496 127 HG12 ILE 18 HG12 ILE 18 3.245 -9.429 0.866 128 HG13 ILE 18 HG11 ILE 18 2.109 -10.771 0.754 129 HG21 ILE 18 HG21 ILE 18 5.697 -10.149 -0.067 130 HG22 ILE 18 HG22 ILE 18 6.287 -11.338 1.094 131 HG23 ILE 18 HG23 ILE 18 5.462 -9.886 1.661 132 HD11 ILE 18 HD11 ILE 18 1.773 -10.142 2.909 133 HD12 ILE 18 HD12 ILE 18 3.434 -9.593 3.126 134 HD13 ILE 18 HD13 ILE 18 3.065 -11.317 3.144 135 H ASN 19 HN ASN 19 6.144 -11.527 -1.752 136 HA ASN 19 HA ASN 19 7.028 -14.330 -1.498 137 HB2 ASN 19 HB2 ASN 19 7.013 -12.505 -3.849 138 HB3 ASN 19 HB1 ASN 19 8.392 -13.585 -3.664 139 HD21 ASN 19 HD21 ASN 19 7.319 -14.224 -5.796 140 HD22 ASN 19 HD22 ASN 19 6.184 -15.524 -5.705 141 H GLU 20 HN GLU 20 8.581 -14.410 -0.060 142 HA GLU 20 HA GLU 20 10.567 -12.245 -0.008 143 HB2 GLU 20 HB2 GLU 20 9.352 -13.925 2.122 144 HB3 GLU 20 HB1 GLU 20 11.052 -13.514 2.307 145 HG2 GLU 20 HG2 GLU 20 10.471 -11.131 2.103 146 HG3 GLU 20 HG1 GLU 20 8.768 -11.578 2.004 147 H ASP 21 HN ASP 21 10.460 -14.491 -1.815 148 HA ASP 21 HA ASP 21 12.792 -16.073 -0.989 149 HB2 ASP 21 HB2 ASP 21 12.205 -17.573 -2.847 150 HB3 ASP 21 HB1 ASP 21 10.846 -17.357 -1.748 151 H VAL 22 HN VAL 22 11.757 -13.598 -3.163 152 HA VAL 22 HA VAL 22 14.233 -13.831 -4.729 153 HB VAL 22 HB VAL 22 12.845 -11.681 -5.788 154 HG11 VAL 22 HG11 VAL 22 13.975 -13.914 -6.719 155 HG12 VAL 22 HG12 VAL 22 12.925 -12.890 -7.697 156 HG13 VAL 22 HG13 VAL 22 12.278 -14.343 -6.936 157 HG21 VAL 22 HG21 VAL 22 10.876 -13.820 -4.992 158 HG22 VAL 22 HG22 VAL 22 10.563 -12.574 -6.200 159 HG23 VAL 22 HG23 VAL 22 10.853 -12.121 -4.521 160 H SER 23 HN SER 23 15.307 -11.693 -5.297 161 HA SER 23 HA SER 23 16.352 -10.488 -3.058 162 HB2 SER 23 HB2 SER 23 16.302 -9.841 -5.932 163 HB3 SER 23 HB1 SER 23 16.611 -8.471 -4.866 164 HG SER 23 HG SER 23 18.571 -9.395 -5.295 165 HA PRO 24 HA PRO 24 13.300 -6.859 -3.164 166 HB2 PRO 24 HB2 PRO 24 11.574 -6.510 -5.178 167 HB3 PRO 24 HB1 PRO 24 13.262 -5.990 -5.316 168 HG2 PRO 24 HG2 PRO 24 11.936 -8.434 -6.416 169 HG3 PRO 24 HG1 PRO 24 13.147 -7.383 -7.170 170 HD2 PRO 24 HD2 PRO 24 13.714 -9.797 -5.966 171 HD3 PRO 24 HD1 PRO 24 14.884 -8.482 -6.178 172 H ALA 25 HN ALA 25 12.438 -8.273 -1.532 173 HA ALA 25 HA ALA 25 10.504 -10.207 -1.796 174 HB1 ALA 25 HB1 ALA 25 10.922 -10.163 0.392 175 HB2 ALA 25 HB2 ALA 25 9.681 -8.912 0.481 176 HB3 ALA 25 HB3 ALA 25 11.383 -8.462 0.360 177 H GLU 26 HN GLU 26 9.005 -9.852 -3.306 178 HA GLU 26 HA GLU 26 7.206 -7.555 -2.937 179 HB2 GLU 26 HB2 GLU 26 6.721 -7.825 -5.385 180 HB3 GLU 26 HB1 GLU 26 8.357 -7.297 -4.986 181 HG2 GLU 26 HG2 GLU 26 9.291 -9.134 -5.858 182 HG3 GLU 26 HG1 GLU 26 8.041 -10.201 -5.218 183 H LEU 27 HN LEU 27 4.983 -7.955 -3.952 184 HA LEU 27 HA LEU 27 4.087 -10.671 -3.399 185 HB2 LEU 27 HB2 LEU 27 2.307 -9.958 -2.072 186 HB3 LEU 27 HB1 LEU 27 3.637 -8.951 -1.538 187 HG LEU 27 HG LEU 27 1.500 -8.077 -3.484 188 HD11 LEU 27 HD11 LEU 27 0.285 -8.126 -1.563 189 HD12 LEU 27 HD12 LEU 27 1.055 -6.552 -1.364 190 HD13 LEU 27 HD13 LEU 27 1.702 -7.964 -0.528 191 HD21 LEU 27 HD21 LEU 27 2.459 -5.802 -2.798 192 HD22 LEU 27 HD22 LEU 27 3.389 -6.782 -3.931 193 HD23 LEU 27 HD23 LEU 27 3.858 -6.715 -2.233 194 H THR 28 HN THR 28 2.622 -11.478 -4.859 195 HA THR 28 HA THR 28 1.758 -9.556 -6.903 196 HB THR 28 HB THR 28 2.517 -12.435 -7.236 197 HG1 THR 28 HG1 THR 28 4.187 -10.844 -7.234 198 HG21 THR 28 HG21 THR 28 0.614 -12.106 -8.654 199 HG22 THR 28 HG22 THR 28 2.078 -12.136 -9.637 200 HG23 THR 28 HG23 THR 28 1.296 -10.600 -9.266 201 H TRP 29 HN TRP 29 -0.197 -9.722 -7.795 202 HA TRP 29 HA TRP 29 -2.207 -11.105 -6.159 203 HB2 TRP 29 HB2 TRP 29 -2.218 -8.625 -6.177 204 HB3 TRP 29 HB1 TRP 29 -2.459 -8.659 -7.917 205 HD1 TRP 29 HD1 TRP 29 -4.296 -9.526 -4.648 206 HE1 TRP 29 HE1 TRP 29 -6.823 -9.408 -5.112 207 HE3 TRP 29 HE3 TRP 29 -4.143 -8.801 -9.704 208 HZ2 TRP 29 HZ2 TRP 29 -8.525 -9.055 -7.326 209 HZ3 TRP 29 HZ3 TRP 29 -6.285 -8.592 -10.918 210 HH2 TRP 29 HH2 TRP 29 -8.421 -8.719 -9.755 211 H ARG 30 HN ARG 30 -3.644 -12.477 -7.119 212 HA ARG 30 HA ARG 30 -3.565 -12.676 -10.061 213 HB2 ARG 30 HB2 ARG 30 -2.358 -14.511 -8.597 214 HB3 ARG 30 HB1 ARG 30 -3.995 -15.121 -8.396 215 HG2 ARG 30 HG2 ARG 30 -4.168 -15.777 -10.564 216 HG3 ARG 30 HG1 ARG 30 -3.092 -14.507 -11.150 217 HD2 ARG 30 HD2 ARG 30 -2.049 -16.690 -11.384 218 HD3 ARG 30 HD1 ARG 30 -1.174 -15.704 -10.213 219 HE ARG 30 HE ARG 30 -3.148 -17.428 -9.031 220 HH11 ARG 30 HH11 ARG 30 0.153 -17.195 -10.141 221 HH12 ARG 30 HH12 ARG 30 0.717 -18.477 -9.124 222 HH21 ARG 30 HH21 ARG 30 -2.407 -19.115 -7.692 223 HH22 ARG 30 HH22 ARG 30 -0.735 -19.568 -7.734 224 H SER 31 HN SER 31 -5.505 -12.320 -10.930 225 HA SER 31 HA SER 31 -7.847 -11.863 -9.596 226 HB2 SER 31 HB2 SER 31 -9.008 -12.399 -11.762 227 HB3 SER 31 HB1 SER 31 -7.655 -11.282 -11.915 228 HG SER 31 HG SER 31 -6.414 -13.317 -12.385 229 H THR 32 HN THR 32 -9.722 -13.039 -9.121 230 HA THR 32 HA THR 32 -9.339 -15.614 -8.096 231 HB THR 32 HB THR 32 -12.003 -15.562 -8.264 232 HG1 THR 32 HG1 THR 32 -11.444 -12.804 -8.247 233 HG21 THR 32 HG21 THR 32 -10.161 -14.845 -6.304 234 HG22 THR 32 HG22 THR 32 -11.884 -15.158 -6.096 235 HG23 THR 32 HG23 THR 32 -11.314 -13.513 -6.375 236 H ASP 33 HN ASP 33 -10.557 -14.495 -11.155 237 HA ASP 33 HA ASP 33 -11.332 -17.120 -12.029 238 HB2 ASP 33 HB2 ASP 33 -12.437 -14.905 -12.714 239 HB3 ASP 33 HB1 ASP 33 -11.063 -14.701 -13.796 240 H GLY 34 HN GLY 34 -8.498 -15.207 -12.049 241 HA2 GLY 34 HA2 GLY 34 -6.355 -15.927 -12.625 242 HA3 GLY 34 HA1 GLY 34 -7.066 -17.301 -13.458 243 H ASP 35 HN ASP 35 -8.332 -14.171 -14.156 244 HA ASP 35 HA ASP 35 -7.406 -14.390 -16.865 245 HB2 ASP 35 HB2 ASP 35 -9.737 -13.516 -15.851 246 HB3 ASP 35 HB1 ASP 35 -8.892 -11.979 -16.013 247 H LYS 36 HN LYS 36 -6.830 -12.383 -14.080 248 HA LYS 36 HA LYS 36 -4.580 -11.153 -15.503 249 HB2 LYS 36 HB2 LYS 36 -5.041 -9.010 -14.429 250 HB3 LYS 36 HB1 LYS 36 -6.372 -9.519 -15.458 251 HG2 LYS 36 HG2 LYS 36 -7.655 -10.193 -13.541 252 HG3 LYS 36 HG1 LYS 36 -6.296 -9.838 -12.469 253 HD2 LYS 36 HD2 LYS 36 -7.704 -7.819 -14.211 254 HD3 LYS 36 HD1 LYS 36 -8.006 -8.049 -12.488 255 HE2 LYS 36 HE2 LYS 36 -5.320 -7.749 -12.489 256 HE3 LYS 36 HE1 LYS 36 -5.757 -6.737 -13.865 257 HZ1 LYS 36 HZ1 LYS 36 -7.155 -6.473 -11.278 258 HZ2 LYS 36 HZ2 LYS 36 -7.035 -5.349 -12.536 259 HZ3 LYS 36 HZ3 LYS 36 -5.691 -5.673 -11.561 260 H VAL 37 HN VAL 37 -2.881 -10.364 -14.165 261 HA VAL 37 HA VAL 37 -2.854 -11.217 -11.379 262 HB VAL 37 HB VAL 37 -0.521 -11.990 -13.104 263 HG11 VAL 37 HG11 VAL 37 -0.089 -13.564 -11.298 264 HG12 VAL 37 HG12 VAL 37 -1.569 -13.055 -10.484 265 HG13 VAL 37 HG13 VAL 37 -0.233 -11.920 -10.674 266 HG21 VAL 37 HG21 VAL 37 -3.113 -13.438 -12.804 267 HG22 VAL 37 HG22 VAL 37 -1.614 -14.361 -12.903 268 HG23 VAL 37 HG23 VAL 37 -2.070 -13.277 -14.217 269 H HIS 38 HN HIS 38 -2.088 -9.532 -10.226 270 HA HIS 38 HA HIS 38 -0.247 -7.681 -11.587 271 HB2 HIS 38 HB2 HIS 38 -2.498 -6.824 -10.787 272 HB3 HIS 38 HB1 HIS 38 -1.907 -7.060 -9.146 273 HD1 HIS 38 HD1 HIS 38 -2.508 -4.311 -9.398 274 HD2 HIS 38 HD2 HIS 38 1.021 -5.764 -11.042 275 HE1 HIS 38 HE1 HIS 38 -1.016 -2.304 -9.669 276 HE2 HIS 38 HE2 HIS 38 1.145 -3.221 -10.584 277 H THR 39 HN THR 39 1.756 -8.073 -11.069 278 HA THR 39 HA THR 39 2.540 -9.028 -8.392 279 HB THR 39 HB THR 39 4.074 -8.632 -10.987 280 HG1 THR 39 HG1 THR 39 3.786 -11.100 -9.726 281 HG21 THR 39 HG21 THR 39 5.071 -9.099 -8.281 282 HG22 THR 39 HG22 THR 39 5.907 -8.524 -9.724 283 HG23 THR 39 HG23 THR 39 5.647 -10.252 -9.485 284 H VAL 40 HN VAL 40 2.708 -7.352 -6.952 285 HA VAL 40 HA VAL 40 3.780 -4.788 -7.885 286 HB VAL 40 HB VAL 40 2.612 -5.448 -5.177 287 HG11 VAL 40 HG11 VAL 40 2.650 -2.689 -6.231 288 HG12 VAL 40 HG12 VAL 40 4.210 -3.368 -5.763 289 HG13 VAL 40 HG13 VAL 40 2.897 -3.282 -4.588 290 HG21 VAL 40 HG21 VAL 40 0.772 -3.860 -6.321 291 HG22 VAL 40 HG22 VAL 40 0.706 -5.622 -6.381 292 HG23 VAL 40 HG23 VAL 40 1.358 -4.717 -7.747 293 H VAL 41 HN VAL 41 5.937 -4.588 -7.791 294 HA VAL 41 HA VAL 41 7.496 -6.213 -6.053 295 HB VAL 41 HB VAL 41 8.386 -5.503 -8.227 296 HG11 VAL 41 HG11 VAL 41 8.864 -3.336 -8.805 297 HG12 VAL 41 HG12 VAL 41 8.996 -2.804 -7.129 298 HG13 VAL 41 HG13 VAL 41 7.408 -3.102 -7.836 299 HG21 VAL 41 HG21 VAL 41 10.399 -4.265 -6.543 300 HG22 VAL 41 HG22 VAL 41 10.444 -5.799 -7.409 301 HG23 VAL 41 HG23 VAL 41 9.727 -5.718 -5.799 302 H LEU 42 HN LEU 42 7.192 -5.879 -3.959 303 HA LEU 42 HA LEU 42 6.636 -3.537 -2.618 304 HB2 LEU 42 HB2 LEU 42 8.201 -5.945 -1.739 305 HB3 LEU 42 HB1 LEU 42 7.678 -4.686 -0.639 306 HG LEU 42 HG LEU 42 5.699 -6.180 -2.335 307 HD11 LEU 42 HD11 LEU 42 6.271 -8.060 -1.251 308 HD12 LEU 42 HD12 LEU 42 5.452 -7.324 0.125 309 HD13 LEU 42 HD13 LEU 42 7.203 -7.189 -0.030 310 HD21 LEU 42 HD21 LEU 42 5.015 -5.280 0.366 311 HD22 LEU 42 HD22 LEU 42 4.134 -5.098 -1.150 312 HD23 LEU 42 HD23 LEU 42 5.438 -3.982 -0.750 313 H SER 43 HN SER 43 9.590 -4.528 -4.067 314 HA SER 43 HA SER 43 11.454 -3.122 -2.522 315 HB2 SER 43 HB2 SER 43 11.485 -4.605 -4.930 316 HB3 SER 43 HB1 SER 43 12.212 -3.040 -5.288 317 HG SER 43 HG SER 43 13.902 -3.635 -4.208 318 H THR 44 HN THR 44 10.113 -2.179 -5.640 319 HA THR 44 HA THR 44 10.924 0.500 -5.494 320 HB THR 44 HB THR 44 9.541 0.834 -7.412 321 HG1 THR 44 HG1 THR 44 7.617 -0.020 -7.031 322 HG21 THR 44 HG21 THR 44 11.084 -1.641 -7.271 323 HG22 THR 44 HG22 THR 44 11.149 -0.321 -8.439 324 HG23 THR 44 HG23 THR 44 9.907 -1.565 -8.582 325 H ILE 45 HN ILE 45 8.287 -1.249 -4.099 326 HA ILE 45 HA ILE 45 6.761 1.183 -3.548 327 HB ILE 45 HB ILE 45 6.176 -1.637 -2.641 328 HG12 ILE 45 HG12 ILE 45 6.255 -1.457 -5.108 329 HG13 ILE 45 HG11 ILE 45 4.627 -1.775 -4.518 330 HG21 ILE 45 HG21 ILE 45 3.999 0.297 -3.008 331 HG22 ILE 45 HG22 ILE 45 5.118 0.673 -1.698 332 HG23 ILE 45 HG23 ILE 45 4.274 -0.876 -1.720 333 HD11 ILE 45 HD11 ILE 45 4.201 0.695 -4.708 334 HD12 ILE 45 HD12 ILE 45 4.438 -0.165 -6.229 335 HD13 ILE 45 HD13 ILE 45 5.743 0.811 -5.555 336 H ASP 46 HN ASP 46 8.249 2.261 -2.195 337 HA ASP 46 HA ASP 46 9.177 1.016 0.230 338 HB2 ASP 46 HB2 ASP 46 9.907 3.272 -1.318 339 HB3 ASP 46 HB1 ASP 46 9.488 3.867 0.285 340 H LYS 47 HN LYS 47 6.244 2.327 -0.641 341 HA LYS 47 HA LYS 47 5.683 3.208 2.112 342 HB2 LYS 47 HB2 LYS 47 4.936 4.280 -0.477 343 HB3 LYS 47 HB1 LYS 47 3.525 3.970 0.527 344 HG2 LYS 47 HG2 LYS 47 4.003 6.099 1.166 345 HG3 LYS 47 HG1 LYS 47 4.962 5.206 2.349 346 HD2 LYS 47 HD2 LYS 47 6.516 6.726 1.613 347 HD3 LYS 47 HD1 LYS 47 6.821 5.392 0.500 348 HE2 LYS 47 HE2 LYS 47 6.605 6.964 -1.089 349 HE3 LYS 47 HE1 LYS 47 4.876 6.744 -0.824 350 HZ1 LYS 47 HZ1 LYS 47 4.929 8.583 0.752 351 HZ2 LYS 47 HZ2 LYS 47 5.474 9.076 -0.771 352 HZ3 LYS 47 HZ3 LYS 47 6.584 8.799 0.475 353 H LEU 48 HN LEU 48 3.960 2.382 3.205 354 HA LEU 48 HA LEU 48 2.155 0.512 1.949 355 HB2 LEU 48 HB2 LEU 48 4.508 -0.492 3.024 356 HB3 LEU 48 HB1 LEU 48 3.326 -0.759 4.290 357 HG LEU 48 HG LEU 48 2.236 -1.567 1.749 358 HD11 LEU 48 HD11 LEU 48 4.638 -3.181 2.505 359 HD12 LEU 48 HD12 LEU 48 4.780 -1.827 1.385 360 HD13 LEU 48 HD13 LEU 48 3.718 -3.181 1.001 361 HD21 LEU 48 HD21 LEU 48 2.992 -3.220 4.152 362 HD22 LEU 48 HD22 LEU 48 1.787 -3.603 2.923 363 HD23 LEU 48 HD23 LEU 48 1.517 -2.260 4.035 364 H GLN 49 HN GLN 49 0.228 0.917 2.769 365 HA GLN 49 HA GLN 49 0.013 1.584 5.625 366 HB2 GLN 49 HB2 GLN 49 -1.814 2.949 3.702 367 HB3 GLN 49 HB1 GLN 49 -1.249 3.470 5.279 368 HG2 GLN 49 HG2 GLN 49 -0.235 4.927 3.769 369 HG3 GLN 49 HG1 GLN 49 1.028 3.776 4.203 370 HE21 GLN 49 HE21 GLN 49 2.261 3.630 2.455 371 HE22 GLN 49 HE22 GLN 49 1.704 3.267 0.861 372 H ALA 50 HN ALA 50 -1.623 0.573 6.655 373 HA ALA 50 HA ALA 50 -3.587 -0.899 5.017 374 HB1 ALA 50 HB1 ALA 50 -1.918 -2.418 5.910 375 HB2 ALA 50 HB2 ALA 50 -3.495 -2.713 6.644 376 HB3 ALA 50 HB3 ALA 50 -2.250 -1.844 7.542 377 H THR 51 HN THR 51 -5.704 -0.975 5.774 378 HA THR 51 HA THR 51 -6.408 1.145 7.560 379 HB THR 51 HB THR 51 -8.755 -0.121 7.226 380 HG1 THR 51 HG1 THR 51 -7.213 -0.819 4.957 381 HG21 THR 51 HG21 THR 51 -7.795 1.317 4.816 382 HG22 THR 51 HG22 THR 51 -7.797 2.183 6.351 383 HG23 THR 51 HG23 THR 51 -9.293 1.490 5.732 384 HA PRO 52 HA PRO 52 -6.263 -1.495 11.194 385 HB2 PRO 52 HB2 PRO 52 -6.057 0.467 12.981 386 HB3 PRO 52 HB1 PRO 52 -4.705 0.079 11.909 387 HG2 PRO 52 HG2 PRO 52 -6.709 2.290 11.705 388 HG3 PRO 52 HG1 PRO 52 -4.958 2.337 11.428 389 HD2 PRO 52 HD2 PRO 52 -6.853 2.130 9.433 390 HD3 PRO 52 HD1 PRO 52 -5.167 1.611 9.279 391 H ALA 53 HN ALA 53 -7.562 -1.610 13.202 392 HA ALA 53 HA ALA 53 -10.237 -1.821 12.840 393 HB1 ALA 53 HB1 ALA 53 -10.399 -2.294 15.054 394 HB2 ALA 53 HB2 ALA 53 -9.384 -0.934 15.536 395 HB3 ALA 53 HB3 ALA 53 -8.648 -2.391 14.869 396 H SER 54 HN SER 54 -8.710 1.166 12.736 397 HA SER 54 HA SER 54 -10.464 2.898 14.056 398 HB2 SER 54 HB2 SER 54 -8.239 3.476 13.021 399 HB3 SER 54 HB1 SER 54 -9.052 3.404 11.453 400 HG SER 54 HG SER 54 -8.868 5.494 12.928 401 H SER 55 HN SER 55 -10.612 1.269 11.032 402 HA SER 55 HA SER 55 -13.366 2.206 10.657 403 HB2 SER 55 HB2 SER 55 -12.169 3.525 9.103 404 HB3 SER 55 HB1 SER 55 -11.130 2.175 8.641 405 HG SER 55 HG SER 55 -12.771 2.611 7.089 406 H GLU 56 HN GLU 56 -14.761 0.577 10.330 407 HA GLU 56 HA GLU 56 -14.058 -2.104 10.476 408 HB2 GLU 56 HB2 GLU 56 -16.510 -0.988 9.102 409 HB3 GLU 56 HB1 GLU 56 -16.326 -2.607 9.764 410 HG2 GLU 56 HG2 GLU 56 -16.064 -1.601 12.014 411 HG3 GLU 56 HG1 GLU 56 -16.405 -0.024 11.304 412 H LYS 57 HN LYS 57 -13.994 0.060 7.816 413 HA LYS 57 HA LYS 57 -14.132 -1.757 5.676 414 HB2 LYS 57 HB2 LYS 57 -12.931 0.994 5.973 415 HB3 LYS 57 HB1 LYS 57 -12.875 0.109 4.453 416 HG2 LYS 57 HG2 LYS 57 -14.811 1.156 4.037 417 HG3 LYS 57 HG1 LYS 57 -15.507 -0.095 5.063 418 HD2 LYS 57 HD2 LYS 57 -16.371 1.861 5.968 419 HD3 LYS 57 HD1 LYS 57 -14.981 1.531 7.003 420 HE2 LYS 57 HE2 LYS 57 -13.732 3.035 5.245 421 HE3 LYS 57 HE1 LYS 57 -15.357 3.644 4.936 422 HZ1 LYS 57 HZ1 LYS 57 -14.564 3.466 7.727 423 HZ2 LYS 57 HZ2 LYS 57 -15.450 4.664 6.927 424 HZ3 LYS 57 HZ3 LYS 57 -13.763 4.637 6.804 425 H MET 58 HN MET 58 -12.608 -2.946 4.638 426 HA MET 58 HA MET 58 -9.934 -3.036 5.874 427 HB2 MET 58 HB2 MET 58 -9.985 -5.404 4.738 428 HB3 MET 58 HB1 MET 58 -10.759 -5.140 6.294 429 HG2 MET 58 HG2 MET 58 -12.388 -4.753 3.851 430 HG3 MET 58 HG1 MET 58 -11.964 -6.400 4.311 431 HE1 MET 58 HE1 MET 58 -14.821 -6.742 4.511 432 HE2 MET 58 HE2 MET 58 -14.777 -5.063 3.953 433 HE3 MET 58 HE3 MET 58 -15.748 -5.503 5.361 434 H MET 59 HN MET 59 -8.291 -2.405 4.642 435 HA MET 59 HA MET 59 -8.086 -3.092 1.884 436 HB2 MET 59 HB2 MET 59 -8.147 -0.830 0.959 437 HB3 MET 59 HB1 MET 59 -9.685 -1.241 1.705 438 HG2 MET 59 HG2 MET 59 -7.928 0.004 3.600 439 HG3 MET 59 HG1 MET 59 -8.117 1.005 2.176 440 HE1 MET 59 HE1 MET 59 -10.826 3.047 3.200 441 HE2 MET 59 HE2 MET 59 -9.133 2.837 2.771 442 HE3 MET 59 HE3 MET 59 -9.622 2.817 4.461 443 H LEU 60 HN LEU 60 -6.022 -2.884 1.106 444 HA LEU 60 HA LEU 60 -4.042 -1.711 2.947 445 HB2 LEU 60 HB2 LEU 60 -3.699 -4.006 1.007 446 HB3 LEU 60 HB1 LEU 60 -2.406 -3.296 1.950 447 HG LEU 60 HG LEU 60 -4.753 -4.890 2.977 448 HD11 LEU 60 HD11 LEU 60 -2.562 -6.039 4.016 449 HD12 LEU 60 HD12 LEU 60 -1.875 -5.395 2.523 450 HD13 LEU 60 HD13 LEU 60 -3.244 -6.504 2.455 451 HD21 LEU 60 HD21 LEU 60 -4.183 -4.410 5.174 452 HD22 LEU 60 HD22 LEU 60 -4.049 -2.840 4.384 453 HD23 LEU 60 HD23 LEU 60 -2.598 -3.781 4.730 454 H ARG 61 HN ARG 61 -2.892 -0.035 2.187 455 HA ARG 61 HA ARG 61 -2.943 0.459 -0.724 456 HB2 ARG 61 HB2 ARG 61 -4.260 2.103 0.534 457 HB3 ARG 61 HB1 ARG 61 -2.852 2.487 1.516 458 HG2 ARG 61 HG2 ARG 61 -1.780 2.962 -0.854 459 HG3 ARG 61 HG1 ARG 61 -3.469 3.222 -1.291 460 HD2 ARG 61 HD2 ARG 61 -2.891 4.530 1.196 461 HD3 ARG 61 HD1 ARG 61 -1.710 5.012 -0.020 462 HE ARG 61 HE ARG 61 -4.347 5.121 -1.063 463 HH11 ARG 61 HH11 ARG 61 -2.128 6.826 1.022 464 HH12 ARG 61 HH12 ARG 61 -2.860 8.371 0.748 465 HH21 ARG 61 HH21 ARG 61 -5.311 7.152 -1.426 466 HH22 ARG 61 HH22 ARG 61 -4.668 8.556 -0.642 467 H LEU 62 HN LEU 62 -1.048 0.785 -1.747 468 HA LEU 62 HA LEU 62 1.374 1.216 -0.135 469 HB2 LEU 62 HB2 LEU 62 2.242 -0.313 -2.276 470 HB3 LEU 62 HB1 LEU 62 2.067 -0.846 -0.616 471 HG LEU 62 HG LEU 62 -0.250 -1.015 -2.511 472 HD11 LEU 62 HD11 LEU 62 2.134 -2.815 -2.347 473 HD12 LEU 62 HD12 LEU 62 1.286 -2.208 -3.770 474 HD13 LEU 62 HD13 LEU 62 0.546 -3.456 -2.768 475 HD21 LEU 62 HD21 LEU 62 -1.217 -2.291 -0.923 476 HD22 LEU 62 HD22 LEU 62 -0.097 -1.439 0.141 477 HD23 LEU 62 HD23 LEU 62 0.305 -3.051 -0.454 478 H ILE 63 HN ILE 63 2.761 2.698 -0.932 479 HA ILE 63 HA ILE 63 2.118 3.828 -3.575 480 HB ILE 63 HB ILE 63 3.623 5.316 -1.447 481 HG12 ILE 63 HG12 ILE 63 1.585 4.840 -0.350 482 HG13 ILE 63 HG11 ILE 63 1.396 6.457 -1.011 483 HG21 ILE 63 HG21 ILE 63 3.742 6.124 -3.763 484 HG22 ILE 63 HG22 ILE 63 2.922 7.266 -2.699 485 HG23 ILE 63 HG23 ILE 63 1.983 6.252 -3.795 486 HD11 ILE 63 HD11 ILE 63 -0.491 5.783 -1.938 487 HD12 ILE 63 HD12 ILE 63 -0.187 4.116 -1.449 488 HD13 ILE 63 HD13 ILE 63 0.450 4.717 -2.980 489 H GLY 64 HN GLY 64 3.728 4.342 -4.987 490 HA2 GLY 64 HA2 GLY 64 6.057 2.682 -4.879 491 HA3 GLY 64 HA1 GLY 64 5.669 3.846 -6.138 492 H LYS 65 HN LYS 65 8.216 3.758 -5.623 493 HA LYS 65 HA LYS 65 9.219 5.212 -3.451 494 HB2 LYS 65 HB2 LYS 65 10.261 4.570 -6.187 495 HB3 LYS 65 HB1 LYS 65 11.151 5.680 -5.154 496 HG2 LYS 65 HG2 LYS 65 10.363 3.205 -3.818 497 HG3 LYS 65 HG1 LYS 65 11.444 2.969 -5.193 498 HD2 LYS 65 HD2 LYS 65 12.114 5.131 -3.272 499 HD3 LYS 65 HD1 LYS 65 12.347 3.465 -2.739 500 HE2 LYS 65 HE2 LYS 65 13.465 3.358 -5.196 501 HE3 LYS 65 HE1 LYS 65 13.803 5.034 -4.764 502 HZ1 LYS 65 HZ1 LYS 65 15.589 4.094 -3.797 503 HZ2 LYS 65 HZ2 LYS 65 14.861 2.577 -3.630 504 HZ3 LYS 65 HZ3 LYS 65 14.514 3.806 -2.522 505 H VAL 66 HN VAL 66 9.707 7.356 -3.135 506 HA VAL 66 HA VAL 66 8.276 9.228 -4.868 507 HB VAL 66 HB VAL 66 8.781 10.873 -3.002 508 HG11 VAL 66 HG11 VAL 66 6.765 10.399 -2.141 509 HG12 VAL 66 HG12 VAL 66 7.232 8.758 -1.694 510 HG13 VAL 66 HG13 VAL 66 6.733 9.113 -3.348 511 HG21 VAL 66 HG21 VAL 66 10.604 9.157 -2.140 512 HG22 VAL 66 HG22 VAL 66 9.237 8.551 -1.207 513 HG23 VAL 66 HG23 VAL 66 9.745 10.231 -1.036 514 H ASP 67 HN ASP 67 9.246 11.201 -5.561 515 HA ASP 67 HA ASP 67 12.188 11.131 -5.671 516 HB2 ASP 67 HB2 ASP 67 10.199 11.426 -7.874 517 HB3 ASP 67 HB1 ASP 67 11.699 12.341 -7.986 518 H GLU 68 HN GLU 68 12.504 12.674 -4.105 519 HA GLU 68 HA GLU 68 11.192 15.249 -4.394 520 HB2 GLU 68 HB2 GLU 68 12.372 15.722 -2.185 521 HB3 GLU 68 HB1 GLU 68 11.104 14.504 -2.162 522 HG2 GLU 68 HG2 GLU 68 12.518 12.862 -1.608 523 HG3 GLU 68 HG1 GLU 68 13.783 13.449 -2.686 524 H SER 69 HN SER 69 13.253 14.336 -6.259 525 HA SER 69 HA SER 69 15.524 16.026 -5.644 526 HB2 SER 69 HB2 SER 69 15.960 13.781 -6.542 527 HB3 SER 69 HB1 SER 69 15.048 14.187 -7.996 528 HG SER 69 HG SER 69 16.780 15.086 -8.745 529 H LYS 70 HN LYS 70 12.557 16.415 -7.079 530 HA LYS 70 HA LYS 70 13.492 18.755 -8.531 531 HB2 LYS 70 HB2 LYS 70 11.993 18.271 -10.403 532 HB3 LYS 70 HB1 LYS 70 13.181 16.990 -10.192 533 HG2 LYS 70 HG2 LYS 70 10.725 16.525 -8.701 534 HG3 LYS 70 HG1 LYS 70 10.472 16.647 -10.446 535 HD2 LYS 70 HD2 LYS 70 12.355 14.991 -10.716 536 HD3 LYS 70 HD1 LYS 70 12.295 14.757 -8.968 537 HE2 LYS 70 HE2 LYS 70 10.371 13.577 -9.061 538 HE3 LYS 70 HE1 LYS 70 9.713 14.556 -10.371 539 HZ1 LYS 70 HZ1 LYS 70 10.695 13.261 -11.957 540 HZ2 LYS 70 HZ2 LYS 70 10.405 12.090 -10.772 541 HZ3 LYS 70 HZ3 LYS 70 11.952 12.750 -10.946 542 H LYS 71 HN LYS 71 11.720 17.790 -6.052 543 HA LYS 71 HA LYS 71 9.148 18.783 -6.386 544 HB2 LYS 71 HB2 LYS 71 8.964 18.790 -4.028 545 HB3 LYS 71 HB1 LYS 71 10.063 17.477 -4.422 546 HG2 LYS 71 HG2 LYS 71 11.599 19.838 -4.022 547 HG3 LYS 71 HG1 LYS 71 10.477 19.661 -2.673 548 HD2 LYS 71 HD2 LYS 71 11.425 17.705 -1.965 549 HD3 LYS 71 HD1 LYS 71 11.953 17.253 -3.587 550 HE2 LYS 71 HE2 LYS 71 13.860 18.546 -3.471 551 HE3 LYS 71 HE1 LYS 71 13.179 19.625 -2.253 552 HZ1 LYS 71 HZ1 LYS 71 14.866 18.219 -1.288 553 HZ2 LYS 71 HZ2 LYS 71 14.063 16.824 -1.808 554 HZ3 LYS 71 HZ3 LYS 71 13.357 17.818 -0.636 555 H ARG 72 HN ARG 72 8.730 20.726 -4.461 556 HA ARG 72 HA ARG 72 10.252 23.054 -5.401 557 HB2 ARG 72 HB2 ARG 72 8.025 24.315 -5.344 558 HB3 ARG 72 HB1 ARG 72 8.304 23.237 -6.705 559 HG2 ARG 72 HG2 ARG 72 6.804 22.332 -4.274 560 HG3 ARG 72 HG1 ARG 72 6.008 23.196 -5.590 561 HD2 ARG 72 HD2 ARG 72 7.646 21.088 -6.646 562 HD3 ARG 72 HD1 ARG 72 6.561 20.446 -5.414 563 HE ARG 72 HE ARG 72 5.846 21.243 -8.020 564 HH11 ARG 72 HH11 ARG 72 4.699 21.414 -4.728 565 HH12 ARG 72 HH12 ARG 72 3.030 21.495 -5.182 566 HH21 ARG 72 HH21 ARG 72 3.651 21.350 -8.619 567 HH22 ARG 72 HH22 ARG 72 2.434 21.458 -7.390 568 H LYS 73 HN LYS 73 10.572 24.663 -3.901 569 HA LYS 73 HA LYS 73 10.614 23.970 -1.199 570 HB2 LYS 73 HB2 LYS 73 11.400 26.156 -0.777 571 HB3 LYS 73 HB1 LYS 73 11.974 25.762 -2.390 572 HG2 LYS 73 HG2 LYS 73 9.738 27.606 -1.609 573 HG3 LYS 73 HG1 LYS 73 11.214 27.982 -2.498 574 HD2 LYS 73 HD2 LYS 73 10.429 26.629 -4.378 575 HD3 LYS 73 HD1 LYS 73 8.958 26.236 -3.485 576 HE2 LYS 73 HE2 LYS 73 9.669 29.100 -3.893 577 HE3 LYS 73 HE1 LYS 73 9.009 28.191 -5.252 578 HZ1 LYS 73 HZ1 LYS 73 7.410 29.435 -3.694 579 HZ2 LYS 73 HZ2 LYS 73 7.661 28.143 -2.631 580 HZ3 LYS 73 HZ3 LYS 73 7.012 27.859 -4.167 581 H ASP 74 HN ASP 74 9.615 26.201 0.175 582 HA ASP 74 HA ASP 74 6.839 26.556 -0.381 583 HB2 ASP 74 HB2 ASP 74 7.353 24.215 0.888 584 HB3 ASP 74 HB1 ASP 74 7.165 25.291 2.269 585 H ASN 75 HN ASN 75 5.956 27.230 2.178 586 HA ASN 75 HA ASN 75 6.804 29.839 2.459 587 HB2 ASN 75 HB2 ASN 75 4.714 29.030 3.414 588 HB3 ASN 75 HB1 ASN 75 5.603 28.041 4.567 589 HD21 ASN 75 HD21 ASN 75 5.238 31.396 3.497 590 HD22 ASN 75 HD22 ASN 75 5.428 32.099 5.064 591 H GLU 76 HN GLU 76 7.372 27.582 5.090 592 HA GLU 76 HA GLU 76 9.830 28.954 5.731 593 HB2 GLU 76 HB2 GLU 76 8.032 27.057 7.163 594 HB3 GLU 76 HB1 GLU 76 9.709 27.171 7.680 595 HG2 GLU 76 HG2 GLU 76 9.458 29.263 8.515 596 HG3 GLU 76 HG1 GLU 76 8.228 29.708 7.334 597 H GLY 77 HN GLY 77 10.117 27.618 3.366 598 HA2 GLY 77 HA2 GLY 77 11.474 26.120 2.280 599 HA3 GLY 77 HA1 GLY 77 12.418 26.093 3.762 600 H ASN 78 HN ASN 78 9.073 25.119 3.726 601 HA ASN 78 HA ASN 78 9.674 22.584 4.846 602 HB2 ASN 78 HB2 ASN 78 7.199 23.971 3.917 603 HB3 ASN 78 HB1 ASN 78 7.134 22.229 4.170 604 HD21 ASN 78 HD21 ASN 78 8.126 21.522 6.307 605 HD22 ASN 78 HD22 ASN 78 7.699 22.465 7.690 606 H GLU 79 HN GLU 79 9.133 23.717 1.593 607 HA GLU 79 HA GLU 79 9.260 22.703 -0.439 608 HB2 GLU 79 HB2 GLU 79 10.696 20.440 0.942 609 HB3 GLU 79 HB1 GLU 79 10.877 20.985 -0.719 610 HG2 GLU 79 HG2 GLU 79 12.086 22.882 -0.090 611 HG3 GLU 79 HG1 GLU 79 11.577 22.755 1.593 612 H VAL 80 HN VAL 80 9.212 20.011 -1.200 613 HA VAL 80 HA VAL 80 7.062 18.629 0.095 614 HB VAL 80 HB VAL 80 6.069 20.571 -1.398 615 HG11 VAL 80 HG11 VAL 80 7.353 19.785 -3.412 616 HG12 VAL 80 HG12 VAL 80 5.619 19.999 -3.657 617 HG13 VAL 80 HG13 VAL 80 6.289 18.380 -3.450 618 HG21 VAL 80 HG21 VAL 80 4.097 19.525 -1.133 619 HG22 VAL 80 HG22 VAL 80 5.061 18.339 -0.253 620 HG23 VAL 80 HG23 VAL 80 4.646 18.058 -1.944 621 H VAL 81 HN VAL 81 6.230 16.868 -1.689 622 HA VAL 81 HA VAL 81 8.492 15.896 -3.215 623 HB VAL 81 HB VAL 81 7.027 14.170 -1.231 624 HG11 VAL 81 HG11 VAL 81 7.740 12.582 -2.665 625 HG12 VAL 81 HG12 VAL 81 9.296 12.838 -1.876 626 HG13 VAL 81 HG13 VAL 81 8.939 13.643 -3.404 627 HG21 VAL 81 HG21 VAL 81 9.270 14.118 -0.074 628 HG22 VAL 81 HG22 VAL 81 8.387 15.642 0.032 629 HG23 VAL 81 HG23 VAL 81 9.733 15.479 -1.097 630 HA PRO 82 HA PRO 82 5.061 15.527 -6.122 631 HB2 PRO 82 HB2 PRO 82 7.141 13.792 -7.394 632 HB3 PRO 82 HB1 PRO 82 6.108 15.028 -8.127 633 HG2 PRO 82 HG2 PRO 82 8.643 15.571 -7.612 634 HG3 PRO 82 HG1 PRO 82 7.390 16.780 -7.272 635 HD2 PRO 82 HD2 PRO 82 8.874 15.006 -5.386 636 HD3 PRO 82 HD1 PRO 82 8.336 16.684 -5.168 637 H LYS 83 HN LYS 83 3.678 14.269 -4.835 638 HA LYS 83 HA LYS 83 4.002 11.657 -4.015 639 HB2 LYS 83 HB2 LYS 83 1.366 12.764 -4.971 640 HB3 LYS 83 HB1 LYS 83 1.639 11.555 -3.726 641 HG2 LYS 83 HG2 LYS 83 2.201 14.503 -3.586 642 HG3 LYS 83 HG1 LYS 83 1.053 13.566 -2.629 643 HD2 LYS 83 HD2 LYS 83 4.038 13.154 -2.552 644 HD3 LYS 83 HD1 LYS 83 3.159 14.188 -1.425 645 HE2 LYS 83 HE2 LYS 83 2.254 11.375 -1.804 646 HE3 LYS 83 HE1 LYS 83 3.697 11.680 -0.837 647 HZ1 LYS 83 HZ1 LYS 83 2.158 11.866 0.785 648 HZ2 LYS 83 HZ2 LYS 83 0.912 12.312 -0.268 649 HZ3 LYS 83 HZ3 LYS 83 2.055 13.458 0.222 650 HA PRO 84 HA PRO 84 4.208 9.784 -8.148 651 HB2 PRO 84 HB2 PRO 84 4.825 7.367 -6.580 652 HB3 PRO 84 HB1 PRO 84 5.767 8.150 -7.851 653 HG2 PRO 84 HG2 PRO 84 6.526 8.243 -5.281 654 HG3 PRO 84 HG1 PRO 84 6.788 9.609 -6.381 655 HD2 PRO 84 HD2 PRO 84 4.671 9.233 -4.295 656 HD3 PRO 84 HD1 PRO 84 5.609 10.687 -4.697 657 H GLN 85 HN GLN 85 3.547 7.154 -8.507 658 HA GLN 85 HA GLN 85 0.719 7.225 -8.474 659 HB2 GLN 85 HB2 GLN 85 2.730 5.082 -9.120 660 HB3 GLN 85 HB1 GLN 85 1.004 4.748 -9.135 661 HG2 GLN 85 HG2 GLN 85 1.133 7.001 -10.649 662 HG3 GLN 85 HG1 GLN 85 2.659 6.215 -11.048 663 HE21 GLN 85 HE21 GLN 85 -0.799 6.014 -11.200 664 HE22 GLN 85 HE22 GLN 85 -0.880 4.700 -12.319 665 H ARG 86 HN ARG 86 -0.723 5.707 -7.418 666 HA ARG 86 HA ARG 86 0.331 4.554 -4.934 667 HB2 ARG 86 HB2 ARG 86 -2.195 6.207 -5.091 668 HB3 ARG 86 HB1 ARG 86 -1.537 5.441 -3.652 669 HG2 ARG 86 HG2 ARG 86 0.157 6.981 -3.438 670 HG3 ARG 86 HG1 ARG 86 0.125 7.412 -5.149 671 HD2 ARG 86 HD2 ARG 86 -2.347 7.972 -3.651 672 HD3 ARG 86 HD1 ARG 86 -0.942 8.925 -3.176 673 HE ARG 86 HE ARG 86 -1.126 8.968 -5.964 674 HH11 ARG 86 HH11 ARG 86 -2.888 10.125 -3.183 675 HH12 ARG 86 HH12 ARG 86 -3.546 11.495 -4.013 676 HH21 ARG 86 HH21 ARG 86 -1.990 10.769 -7.058 677 HH22 ARG 86 HH22 ARG 86 -3.037 11.860 -6.213 678 H HIS 87 HN HIS 87 -0.570 2.648 -4.324 679 HA HIS 87 HA HIS 87 -2.690 1.577 -6.068 680 HB2 HIS 87 HB2 HIS 87 -0.658 -0.038 -4.522 681 HB3 HIS 87 HB1 HIS 87 -1.759 -0.613 -5.769 682 HD1 HIS 87 HD1 HIS 87 -1.237 0.282 -8.250 683 HD2 HIS 87 HD2 HIS 87 1.773 0.808 -5.434 684 HE1 HIS 87 HE1 HIS 87 0.851 0.736 -9.575 685 HE2 HIS 87 HE2 HIS 87 2.641 1.138 -7.848 686 H MET 88 HN MET 88 -4.590 1.504 -5.077 687 HA MET 88 HA MET 88 -4.662 1.091 -2.164 688 HB2 MET 88 HB2 MET 88 -5.865 3.030 -3.630 689 HB3 MET 88 HB1 MET 88 -7.149 1.831 -3.568 690 HG2 MET 88 HG2 MET 88 -5.714 2.723 -1.100 691 HG3 MET 88 HG1 MET 88 -7.079 3.625 -1.754 692 HE1 MET 88 HE1 MET 88 -8.512 3.528 0.224 693 HE2 MET 88 HE2 MET 88 -7.449 2.594 1.280 694 HE3 MET 88 HE3 MET 88 -9.123 2.088 1.035 695 H PHE 89 HN PHE 89 -4.873 -1.001 -1.685 696 HA PHE 89 HA PHE 89 -6.551 -2.701 -3.375 697 HB2 PHE 89 HB2 PHE 89 -4.129 -3.116 -1.940 698 HB3 PHE 89 HB1 PHE 89 -5.354 -4.162 -1.231 699 HD1 PHE 89 HD1 PHE 89 -7.002 -4.905 -3.470 700 HD2 PHE 89 HD2 PHE 89 -2.779 -4.433 -3.263 701 HE1 PHE 89 HE1 PHE 89 -6.741 -6.472 -5.346 702 HE2 PHE 89 HE2 PHE 89 -2.508 -6.003 -5.138 703 HZ PHE 89 HZ PHE 89 -4.496 -7.015 -6.180 704 H SER 90 HN SER 90 -8.499 -3.443 -2.730 705 HA SER 90 HA SER 90 -9.216 -3.151 0.104 706 HB2 SER 90 HB2 SER 90 -10.047 -1.267 -1.510 707 HB3 SER 90 HB1 SER 90 -11.222 -2.481 -2.017 708 HG SER 90 HG SER 90 -12.216 -1.515 -0.360 709 H PHE 91 HN PHE 91 -10.061 -4.932 0.924 710 HA PHE 91 HA PHE 91 -11.473 -6.775 -0.876 711 HB2 PHE 91 HB2 PHE 91 -10.484 -8.372 1.204 712 HB3 PHE 91 HB1 PHE 91 -9.964 -8.370 -0.475 713 HD1 PHE 91 HD2 PHE 91 -8.343 -6.023 -0.782 714 HD2 PHE 91 HD1 PHE 91 -8.719 -8.596 2.584 715 HE1 PHE 91 HE2 PHE 91 -6.079 -5.400 -0.053 716 HE2 PHE 91 HE1 PHE 91 -6.455 -7.988 3.303 717 HZ PHE 91 HZ PHE 91 -5.132 -6.391 1.984 718 H ASN 92 HN ASN 92 -12.837 -8.375 0.472 719 HA ASN 92 HA ASN 92 -14.367 -6.745 2.354 720 HB2 ASN 92 HB2 ASN 92 -16.159 -8.398 2.025 721 HB3 ASN 92 HB1 ASN 92 -15.602 -7.743 0.489 722 HD21 ASN 92 HD21 ASN 92 -14.725 -9.076 -1.001 723 HD22 ASN 92 HD22 ASN 92 -14.576 -10.786 -0.803 724 H ASN 93 HN ASN 93 -11.836 -8.026 3.102 725 HA ASN 93 HA ASN 93 -12.874 -9.639 5.323 726 HB2 ASN 93 HB2 ASN 93 -10.291 -10.187 3.855 727 HB3 ASN 93 HB1 ASN 93 -10.942 -11.113 5.205 728 HD21 ASN 93 HD21 ASN 93 -11.778 -12.956 4.589 729 HD22 ASN 93 HD22 ASN 93 -12.632 -13.255 3.117 730 H ARG 94 HN ARG 94 -12.539 -8.635 7.158 731 HA ARG 94 HA ARG 94 -10.456 -6.637 7.407 732 HB2 ARG 94 HB2 ARG 94 -12.851 -6.464 8.334 733 HB3 ARG 94 HB1 ARG 94 -12.297 -7.542 9.608 734 HG2 ARG 94 HG2 ARG 94 -10.383 -5.773 9.854 735 HG3 ARG 94 HG1 ARG 94 -11.549 -4.715 9.056 736 HD2 ARG 94 HD2 ARG 94 -12.929 -4.666 10.845 737 HD3 ARG 94 HD1 ARG 94 -12.601 -6.343 11.276 738 HE ARG 94 HE ARG 94 -11.260 -4.004 12.266 739 HH11 ARG 94 HH11 ARG 94 -10.972 -7.435 11.699 740 HH12 ARG 94 HH12 ARG 94 -9.756 -7.660 12.911 741 HH21 ARG 94 HH21 ARG 94 -9.660 -4.298 13.861 742 HH22 ARG 94 HH22 ARG 94 -9.011 -5.879 14.139 743 H THR 95 HN THR 95 -11.101 -9.900 8.432 744 HA THR 95 HA THR 95 -9.076 -9.992 10.447 745 HB THR 95 HB THR 95 -11.195 -11.550 9.914 746 HG1 THR 95 HG1 THR 95 -9.719 -11.525 11.775 747 HG21 THR 95 HG21 THR 95 -10.282 -12.573 7.905 748 HG22 THR 95 HG22 THR 95 -10.499 -13.758 9.193 749 HG23 THR 95 HG23 THR 95 -8.888 -13.143 8.824 750 H VAL 96 HN VAL 96 -9.304 -11.048 7.083 751 HA VAL 96 HA VAL 96 -6.746 -12.190 6.876 752 HB VAL 96 HB VAL 96 -8.272 -10.835 4.650 753 HG11 VAL 96 HG11 VAL 96 -6.847 -11.790 3.191 754 HG12 VAL 96 HG12 VAL 96 -6.678 -13.258 4.153 755 HG13 VAL 96 HG13 VAL 96 -5.755 -11.816 4.576 756 HG21 VAL 96 HG21 VAL 96 -9.723 -12.541 4.533 757 HG22 VAL 96 HG22 VAL 96 -9.268 -12.838 6.210 758 HG23 VAL 96 HG23 VAL 96 -8.491 -13.744 4.912 759 H MET 97 HN MET 97 -7.851 -8.998 5.697 760 HA MET 97 HA MET 97 -5.496 -7.933 4.842 761 HB2 MET 97 HB2 MET 97 -6.398 -5.700 5.617 762 HB3 MET 97 HB1 MET 97 -7.460 -6.645 4.585 763 HG2 MET 97 HG2 MET 97 -9.023 -6.267 6.106 764 HG3 MET 97 HG1 MET 97 -8.187 -7.453 7.100 765 HE1 MET 97 HE1 MET 97 -7.633 -4.091 5.751 766 HE2 MET 97 HE2 MET 97 -6.528 -3.407 6.944 767 HE3 MET 97 HE3 MET 97 -8.251 -3.041 7.027 768 H ASP 98 HN ASP 98 -6.661 -7.618 8.194 769 HA ASP 98 HA ASP 98 -4.554 -6.227 9.262 770 HB2 ASP 98 HB2 ASP 98 -6.754 -6.946 10.364 771 HB3 ASP 98 HB1 ASP 98 -5.919 -8.439 10.781 772 H ASN 99 HN ASN 99 -4.586 -9.546 8.266 773 HA ASN 99 HA ASN 99 -2.233 -10.237 9.804 774 HB2 ASN 99 HB2 ASN 99 -3.919 -11.728 7.804 775 HB3 ASN 99 HB1 ASN 99 -2.413 -12.391 8.429 776 HD21 ASN 99 HD21 ASN 99 -5.272 -13.194 8.715 777 HD22 ASN 99 HD22 ASN 99 -5.520 -13.341 10.418 778 H ILE 100 HN ILE 100 -2.971 -10.186 6.307 779 HA ILE 100 HA ILE 100 -0.277 -10.454 5.524 780 HB ILE 100 HB ILE 100 -2.272 -10.966 4.092 781 HG12 ILE 100 HG12 ILE 100 -0.008 -9.260 3.068 782 HG13 ILE 100 HG11 ILE 100 -0.155 -11.014 3.030 783 HG21 ILE 100 HG21 ILE 100 -2.952 -8.332 4.607 784 HG22 ILE 100 HG22 ILE 100 -3.720 -9.412 3.444 785 HG23 ILE 100 HG23 ILE 100 -2.434 -8.326 2.920 786 HD11 ILE 100 HD11 ILE 100 -1.834 -9.090 1.435 787 HD12 ILE 100 HD12 ILE 100 -1.905 -10.854 1.362 788 HD13 ILE 100 HD13 ILE 100 -0.455 -10.006 0.824 789 H LYS 101 HN LYS 101 -2.195 -7.639 6.346 790 HA LYS 101 HA LYS 101 -0.685 -5.662 5.072 791 HB2 LYS 101 HB2 LYS 101 -1.710 -4.121 6.562 792 HB3 LYS 101 HB1 LYS 101 -2.895 -5.362 6.210 793 HG2 LYS 101 HG2 LYS 101 -3.129 -5.843 8.338 794 HG3 LYS 101 HG1 LYS 101 -1.397 -6.037 8.564 795 HD2 LYS 101 HD2 LYS 101 -1.791 -4.282 9.983 796 HD3 LYS 101 HD1 LYS 101 -1.441 -3.400 8.495 797 HE2 LYS 101 HE2 LYS 101 -3.388 -2.357 8.989 798 HE3 LYS 101 HE1 LYS 101 -4.077 -3.778 8.190 799 HZ1 LYS 101 HZ1 LYS 101 -3.883 -4.697 10.658 800 HZ2 LYS 101 HZ2 LYS 101 -5.246 -3.862 10.105 801 HZ3 LYS 101 HZ3 LYS 101 -4.070 -3.053 11.012 802 H MET 102 HN MET 102 -0.184 -7.369 8.061 803 HA MET 102 HA MET 102 1.882 -5.711 9.081 804 HB2 MET 102 HB2 MET 102 0.803 -8.411 9.720 805 HB3 MET 102 HB1 MET 102 2.397 -8.000 10.338 806 HG2 MET 102 HG2 MET 102 1.142 -5.814 11.116 807 HG3 MET 102 HG1 MET 102 -0.259 -6.880 11.034 808 HE1 MET 102 HE1 MET 102 0.014 -7.030 14.730 809 HE2 MET 102 HE2 MET 102 -0.928 -8.005 13.602 810 HE3 MET 102 HE3 MET 102 -0.703 -6.282 13.303 811 H THR 103 HN THR 103 1.964 -8.856 7.419 812 HA THR 103 HA THR 103 4.669 -9.310 7.367 813 HB THR 103 HB THR 103 2.718 -9.853 5.124 814 HG1 THR 103 HG1 THR 103 2.282 -11.723 6.175 815 HG21 THR 103 HG21 THR 103 5.372 -11.101 5.774 816 HG22 THR 103 HG22 THR 103 4.908 -10.258 4.295 817 HG23 THR 103 HG23 THR 103 4.181 -11.815 4.688 818 H LEU 104 HN LEU 104 2.809 -7.221 5.196 819 HA LEU 104 HA LEU 104 5.106 -6.578 3.586 820 HB2 LEU 104 HB2 LEU 104 2.285 -5.545 3.700 821 HB3 LEU 104 HB1 LEU 104 3.498 -4.795 2.681 822 HG LEU 104 HG LEU 104 3.753 -7.388 1.924 823 HD11 LEU 104 HD11 LEU 104 0.848 -6.961 2.594 824 HD12 LEU 104 HD12 LEU 104 1.930 -8.156 3.307 825 HD13 LEU 104 HD13 LEU 104 1.483 -8.277 1.606 826 HD21 LEU 104 HD21 LEU 104 3.146 -6.578 -0.078 827 HD22 LEU 104 HD22 LEU 104 3.060 -5.030 0.760 828 HD23 LEU 104 HD23 LEU 104 1.597 -5.984 0.520 829 H GLN 105 HN GLN 105 3.175 -4.901 6.048 830 HA GLN 105 HA GLN 105 4.494 -2.443 5.975 831 HB2 GLN 105 HB2 GLN 105 2.347 -3.071 7.213 832 HB3 GLN 105 HB1 GLN 105 3.391 -3.676 8.492 833 HG2 GLN 105 HG2 GLN 105 4.049 -1.596 9.135 834 HG3 GLN 105 HG1 GLN 105 3.855 -0.914 7.521 835 HE21 GLN 105 HE21 GLN 105 1.500 -0.933 6.758 836 HE22 GLN 105 HE22 GLN 105 0.334 -0.383 7.908 837 H GLN 106 HN GLN 106 5.162 -5.314 7.961 838 HA GLN 106 HA GLN 106 7.249 -4.262 9.478 839 HB2 GLN 106 HB2 GLN 106 7.896 -6.549 9.927 840 HB3 GLN 106 HB1 GLN 106 6.142 -6.433 9.918 841 HG2 GLN 106 HG2 GLN 106 6.027 -7.426 7.742 842 HG3 GLN 106 HG1 GLN 106 7.782 -7.388 7.584 843 HE21 GLN 106 HE21 GLN 106 5.510 -8.456 10.096 844 HE22 GLN 106 HE22 GLN 106 6.192 -10.032 10.283 845 H ILE 107 HN ILE 107 7.266 -5.675 6.246 846 HA ILE 107 HA ILE 107 10.001 -5.962 5.889 847 HB ILE 107 HB ILE 107 7.636 -5.932 4.213 848 HG12 ILE 107 HG12 ILE 107 10.330 -7.226 3.803 849 HG13 ILE 107 HG11 ILE 107 9.077 -7.866 4.865 850 HG21 ILE 107 HG21 ILE 107 8.546 -4.056 3.076 851 HG22 ILE 107 HG22 ILE 107 8.862 -5.476 2.080 852 HG23 ILE 107 HG23 ILE 107 10.157 -4.772 3.049 853 HD11 ILE 107 HD11 ILE 107 7.644 -8.330 3.059 854 HD12 ILE 107 HD12 ILE 107 9.242 -8.887 2.562 855 HD13 ILE 107 HD13 ILE 107 8.608 -7.361 1.944 856 H ILE 108 HN ILE 108 7.952 -3.166 5.017 857 HA ILE 108 HA ILE 108 9.876 -1.513 3.959 858 HB ILE 108 HB ILE 108 7.758 -0.473 5.822 859 HG12 ILE 108 HG12 ILE 108 6.593 -1.985 4.387 860 HG13 ILE 108 HG11 ILE 108 6.301 -0.360 3.777 861 HG21 ILE 108 HG21 ILE 108 8.793 0.746 3.281 862 HG22 ILE 108 HG22 ILE 108 9.559 1.019 4.847 863 HG23 ILE 108 HG23 ILE 108 7.887 1.520 4.582 864 HD11 ILE 108 HD11 ILE 108 7.003 -1.001 1.785 865 HD12 ILE 108 HD12 ILE 108 7.355 -2.611 2.412 866 HD13 ILE 108 HD13 ILE 108 8.592 -1.356 2.460 867 H SER 109 HN SER 109 9.182 -2.193 7.292 868 HA SER 109 HA SER 109 10.773 -0.172 8.444 869 HB2 SER 109 HB2 SER 109 8.951 -1.836 9.442 870 HB3 SER 109 HB1 SER 109 10.388 -2.770 9.861 871 HG SER 109 HG SER 109 10.130 -0.022 10.484 872 H ARG 110 HN ARG 110 11.525 -3.215 7.009 873 HA ARG 110 HA ARG 110 14.241 -3.159 8.113 874 HB2 ARG 110 HB2 ARG 110 14.321 -5.415 7.839 875 HB3 ARG 110 HB1 ARG 110 12.570 -5.264 7.842 876 HG2 ARG 110 HG2 ARG 110 12.562 -5.259 5.399 877 HG3 ARG 110 HG1 ARG 110 14.321 -5.398 5.393 878 HD2 ARG 110 HD2 ARG 110 13.670 -7.475 6.989 879 HD3 ARG 110 HD1 ARG 110 12.254 -7.428 5.939 880 HE ARG 110 HE ARG 110 13.549 -8.204 4.223 881 HH11 ARG 110 HH11 ARG 110 15.640 -7.010 6.749 882 HH12 ARG 110 HH12 ARG 110 17.087 -7.594 6.000 883 HH21 ARG 110 HH21 ARG 110 15.452 -8.973 3.235 884 HH22 ARG 110 HH22 ARG 110 16.981 -8.708 4.004 885 H TYR 111 HN TYR 111 12.459 -3.227 5.051 886 HA TYR 111 HA TYR 111 14.712 -3.052 3.361 887 HB2 TYR 111 HB2 TYR 111 11.788 -2.695 3.079 888 HB3 TYR 111 HB1 TYR 111 12.777 -1.864 1.884 889 HD1 TYR 111 HD2 TYR 111 13.743 -5.065 3.435 890 HD2 TYR 111 HD1 TYR 111 12.070 -3.181 0.008 891 HE1 TYR 111 HE2 TYR 111 13.981 -7.162 2.175 892 HE2 TYR 111 HE1 TYR 111 12.302 -5.274 -1.262 893 HH TYR 111 HH TYR 111 14.202 -7.622 -0.604 894 H LYS 112 HN LYS 112 12.970 -0.703 5.233 895 HA LYS 112 HA LYS 112 13.650 1.656 3.931 896 HB2 LYS 112 HB2 LYS 112 13.446 2.640 6.264 897 HB3 LYS 112 HB1 LYS 112 12.053 1.759 5.659 898 HG2 LYS 112 HG2 LYS 112 12.059 0.685 7.571 899 HG3 LYS 112 HG1 LYS 112 13.494 -0.160 6.996 900 HD2 LYS 112 HD2 LYS 112 14.075 0.692 9.118 901 HD3 LYS 112 HD1 LYS 112 14.829 1.786 7.957 902 HE2 LYS 112 HE2 LYS 112 13.879 3.296 9.392 903 HE3 LYS 112 HE1 LYS 112 12.576 3.105 8.221 904 HZ1 LYS 112 HZ1 LYS 112 11.870 1.219 9.874 905 HZ2 LYS 112 HZ2 LYS 112 11.439 2.830 10.159 906 HZ3 LYS 112 HZ3 LYS 112 12.749 2.147 10.983 907 H ASP 113 HN ASP 113 15.230 0.163 6.704 908 HA ASP 113 HA ASP 113 17.479 1.849 6.724 909 HB2 ASP 113 HB2 ASP 113 16.649 -0.636 8.103 910 HB3 ASP 113 HB1 ASP 113 18.379 -0.294 8.074 911 H ALA 114 HN ALA 114 16.719 -0.379 4.430 912 HA ALA 114 HA ALA 114 19.550 -0.979 3.902 913 HB1 ALA 114 HB1 ALA 114 17.512 -2.603 2.551 914 HB2 ALA 114 HB2 ALA 114 17.581 -2.770 4.305 915 HB3 ALA 114 HB3 ALA 114 19.019 -3.083 3.333 916 H ASP 115 HN ASP 115 16.539 0.214 2.579 917 HA ASP 115 HA ASP 115 17.219 0.282 -0.136 918 HB2 ASP 115 HB2 ASP 115 15.239 1.651 1.598 919 HB3 ASP 115 HB1 ASP 115 15.595 2.424 0.055 920 H2 PRO 59 HT1 PRO 59 -19.685 1.610 -1.146 921 H3 PRO 59 HT2 PRO 59 -19.081 0.299 -1.937 922 HA PRO 59 HA PRO 59 -20.737 -0.908 -1.585 923 HB2 PRO 59 HB2 PRO 59 -21.862 -0.186 0.911 924 HB3 PRO 59 HB1 PRO 59 -20.908 -1.627 0.537 925 HG2 PRO 59 HG2 PRO 59 -20.045 0.962 1.712 926 HG3 PRO 59 HG1 PRO 59 -19.416 -0.671 1.997 927 HD2 PRO 59 HD2 PRO 59 -18.039 1.076 0.528 928 HD3 PRO 59 HD1 PRO 59 -18.104 -0.636 0.067 929 H GLY 60 HN GLY 60 -22.782 -0.595 -2.333 930 HA2 GLY 60 HA2 GLY 60 -24.778 0.483 -2.795 931 HA3 GLY 60 HA1 GLY 60 -24.315 1.747 -1.666 932 H GLU 61 HN GLU 61 -24.330 3.644 -2.661 933 HA GLU 61 HA GLU 61 -23.325 3.786 -5.426 934 HB2 GLU 61 HB2 GLU 61 -25.749 4.450 -4.886 935 HB3 GLU 61 HB1 GLU 61 -25.057 5.866 -4.108 936 HG2 GLU 61 HG2 GLU 61 -23.807 6.036 -6.454 937 HG3 GLU 61 HG1 GLU 61 -25.258 5.179 -6.974 938 H GLU 62 HN GLU 62 -21.665 3.820 -3.042 939 HA GLU 62 HA GLU 62 -20.745 6.599 -2.938 940 HB2 GLU 62 HB2 GLU 62 -21.136 5.070 -0.864 941 HB3 GLU 62 HB1 GLU 62 -19.583 4.370 -1.299 942 HG2 GLU 62 HG2 GLU 62 -18.732 5.959 0.010 943 HG3 GLU 62 HG1 GLU 62 -19.014 7.025 -1.365 944 H GLU 63 HN GLU 63 -18.551 7.139 -3.297 945 HA GLU 63 HA GLU 63 -17.288 5.462 -5.314 946 HB2 GLU 63 HB2 GLU 63 -16.034 8.016 -4.460 947 HB3 GLU 63 HB1 GLU 63 -16.225 7.342 -6.071 948 HG2 GLU 63 HG2 GLU 63 -18.799 7.867 -5.441 949 HG3 GLU 63 HG1 GLU 63 -17.971 9.145 -4.552 950 H ASP 64 HN ASP 64 -14.648 6.064 -5.062 951 HA ASP 64 HA ASP 64 -13.940 4.584 -2.637 952 HB2 ASP 64 HB2 ASP 64 -12.458 5.085 -5.221 953 HB3 ASP 64 HB1 ASP 64 -11.713 4.318 -3.822 954 H ASP 65 HN ASP 65 -14.376 6.677 -1.471 955 HA ASP 65 HA ASP 65 -11.956 7.849 -0.671 956 HB2 ASP 65 HB2 ASP 65 -13.271 9.134 -2.927 957 HB3 ASP 65 HB1 ASP 65 -13.098 10.231 -1.562 958 H GLU 66 HN GLU 66 -14.234 6.673 0.489 959 HA GLU 66 HA GLU 66 -14.671 8.299 2.692 960 HB2 GLU 66 HB2 GLU 66 -16.830 9.220 2.423 961 HB3 GLU 66 HB1 GLU 66 -15.951 9.621 0.957 962 HG2 GLU 66 HG2 GLU 66 -17.094 7.307 0.200 963 HG3 GLU 66 HG1 GLU 66 -18.298 7.897 1.345 964 H ARG 67 HN ARG 67 -15.359 5.475 0.897 965 HA ARG 67 HA ARG 67 -16.324 4.174 3.281 966 HB2 ARG 67 HB2 ARG 67 -17.851 4.123 0.670 967 HB3 ARG 67 HB1 ARG 67 -18.171 3.054 2.029 968 HG2 ARG 67 HG2 ARG 67 -18.371 6.057 2.120 969 HG3 ARG 67 HG1 ARG 67 -19.731 4.955 1.896 970 HD2 ARG 67 HD2 ARG 67 -18.371 4.011 4.149 971 HD3 ARG 67 HD1 ARG 67 -18.401 5.765 4.323 972 HE ARG 67 HE ARG 67 -20.666 5.666 4.654 973 HH11 ARG 67 HH11 ARG 67 -19.567 2.607 3.385 974 HH12 ARG 67 HH12 ARG 67 -21.084 1.813 3.643 975 HH21 ARG 67 HH21 ARG 67 -22.662 4.624 4.994 976 HH22 ARG 67 HH22 ARG 67 -22.841 2.957 4.556 977 H GLY 68 HN GLY 68 -14.288 3.223 3.225 978 HA2 GLY 68 HA2 GLY 68 -13.291 1.074 2.826 979 HA3 GLY 68 HA1 GLY 68 -14.028 1.077 1.227 980 H ALA 69 HN ALA 69 -12.948 4.149 1.830 981 HA ALA 69 HA ALA 69 -10.178 3.758 1.120 982 HB1 ALA 69 HB1 ALA 69 -11.541 3.607 -1.028 983 HB2 ALA 69 HB2 ALA 69 -10.212 4.766 -1.004 984 HB3 ALA 69 HB3 ALA 69 -11.873 5.324 -0.798 985 H ASP 70 HN ASP 70 -10.681 4.846 3.387 986 HA ASP 70 HA ASP 70 -9.996 7.616 3.060 987 HB2 ASP 70 HB2 ASP 70 -12.535 7.440 2.980 988 HB3 ASP 70 HB1 ASP 70 -12.445 7.015 4.685 989 H ALA 71 HN ALA 71 -10.805 5.025 5.281 990 HA ALA 71 HA ALA 71 -9.661 6.234 7.582 991 HB1 ALA 71 HB1 ALA 71 -10.093 4.226 8.715 992 HB2 ALA 71 HB2 ALA 71 -10.010 3.281 7.221 993 HB3 ALA 71 HB3 ALA 71 -11.375 4.359 7.505 994 H THR 72 HN THR 72 -8.217 4.704 4.890 995 HA THR 72 HA THR 72 -5.916 3.822 6.380 996 HB THR 72 HB THR 72 -5.361 3.847 3.592 997 HG1 THR 72 HG1 THR 72 -7.210 2.342 3.140 998 HG21 THR 72 HG21 THR 72 -4.366 2.132 4.744 999 HG22 THR 72 HG22 THR 72 -5.706 1.310 3.947 1000 HG23 THR 72 HG23 THR 72 -5.828 1.748 5.649 1001 H TRP 73 HN TRP 73 -6.926 6.745 5.023 1002 HA TRP 73 HA TRP 73 -4.294 7.714 4.347 1003 HB2 TRP 73 HB2 TRP 73 -6.701 9.472 4.751 1004 HB3 TRP 73 HB1 TRP 73 -5.341 9.699 3.655 1005 HD1 TRP 73 HD1 TRP 73 -8.413 9.736 2.695 1006 HE1 TRP 73 HE1 TRP 73 -9.183 8.068 0.890 1007 HE3 TRP 73 HE3 TRP 73 -4.708 6.288 3.164 1008 HZ2 TRP 73 HZ2 TRP 73 -8.309 5.590 -0.179 1009 HZ3 TRP 73 HZ3 TRP 73 -4.731 4.300 1.730 1010 HH2 TRP 73 HH2 TRP 73 -6.490 3.959 0.115 1011 H ASP 74 HN ASP 74 -3.933 6.782 6.696 1012 HA ASP 74 HA ASP 74 -2.947 8.841 8.276 1013 HB2 ASP 74 HB2 ASP 74 -5.570 8.974 8.611 1014 HB3 ASP 74 HB1 ASP 74 -5.296 7.604 9.681 1015 H LEU 75 HN LEU 75 -2.161 6.361 7.224 1016 HA LEU 75 HA LEU 75 -1.909 4.619 9.570 1017 HB2 LEU 75 HB2 LEU 75 -2.119 4.189 6.682 1018 HB3 LEU 75 HB1 LEU 75 -0.901 3.202 7.458 1019 HG LEU 75 HG LEU 75 -2.732 1.839 7.458 1020 HD11 LEU 75 HD11 LEU 75 -3.595 2.877 10.041 1021 HD12 LEU 75 HD12 LEU 75 -1.848 2.682 9.889 1022 HD13 LEU 75 HD13 LEU 75 -2.917 1.304 9.611 1023 HD21 LEU 75 HD21 LEU 75 -4.859 3.405 8.570 1024 HD22 LEU 75 HD22 LEU 75 -4.784 2.537 7.035 1025 HD23 LEU 75 HD23 LEU 75 -4.196 4.195 7.141 1026 H ASP 76 HN ASP 76 0.205 4.554 6.799 1027 HA ASP 76 HA ASP 76 2.482 4.886 8.562 1028 HB2 ASP 76 HB2 ASP 76 2.424 2.934 7.075 1029 HB3 ASP 76 HB1 ASP 76 2.380 3.999 5.675 1030 H LEU 77 HN LEU 77 3.185 5.653 5.309 1031 HA LEU 77 HA LEU 77 4.079 7.532 4.386 1032 HB2 LEU 77 HB2 LEU 77 1.430 8.300 5.480 1033 HB3 LEU 77 HB1 LEU 77 2.473 9.590 4.906 1034 HG LEU 77 HG LEU 77 2.649 7.894 2.815 1035 HD11 LEU 77 HD11 LEU 77 1.176 6.228 3.210 1036 HD12 LEU 77 HD12 LEU 77 0.042 7.398 2.533 1037 HD13 LEU 77 HD13 LEU 77 0.177 7.211 4.282 1038 HD21 LEU 77 HD21 LEU 77 0.493 9.948 3.277 1039 HD22 LEU 77 HD22 LEU 77 1.011 9.331 1.707 1040 HD23 LEU 77 HD23 LEU 77 2.130 10.262 2.703 1041 H LEU 78 HN LEU 78 5.523 6.991 6.538 1042 HA LEU 78 HA LEU 78 6.662 9.439 7.262 1043 HB2 LEU 78 HB2 LEU 78 6.129 9.433 9.697 1044 HB3 LEU 78 HB1 LEU 78 4.778 9.845 8.658 1045 HG LEU 78 HG LEU 78 4.263 7.254 8.890 1046 HD11 LEU 78 HD11 LEU 78 4.740 6.712 11.364 1047 HD12 LEU 78 HD12 LEU 78 6.023 7.914 11.218 1048 HD13 LEU 78 HD13 LEU 78 6.030 6.486 10.182 1049 HD21 LEU 78 HD21 LEU 78 3.122 9.516 9.786 1050 HD22 LEU 78 HD22 LEU 78 3.529 8.752 11.322 1051 HD23 LEU 78 HD23 LEU 78 2.512 7.904 10.157 1052 H LEU 79 HN LEU 79 7.491 6.885 6.338 1053 HA LEU 79 HA LEU 79 9.304 6.130 8.529 1054 HB2 LEU 79 HB2 LEU 79 7.832 4.327 6.621 1055 HB3 LEU 79 HB1 LEU 79 9.250 3.797 7.504 1056 HG LEU 79 HG LEU 79 6.752 4.834 8.838 1057 HD11 LEU 79 HD11 LEU 79 6.093 2.582 9.229 1058 HD12 LEU 79 HD12 LEU 79 7.582 1.959 8.517 1059 HD13 LEU 79 HD13 LEU 79 6.381 2.752 7.498 1060 HD21 LEU 79 HD21 LEU 79 9.221 4.667 9.881 1061 HD22 LEU 79 HD22 LEU 79 8.650 3.028 10.195 1062 HD23 LEU 79 HD23 LEU 79 7.750 4.410 10.819 1063 H THR 80 HN THR 80 9.124 4.905 5.211 1064 HA THR 80 HA THR 80 11.909 5.319 4.812 1065 HB THR 80 HB THR 80 11.289 4.654 2.402 1066 HG1 THR 80 HG1 THR 80 9.160 5.039 2.274 1067 HG21 THR 80 HG21 THR 80 10.904 2.313 2.963 1068 HG22 THR 80 HG22 THR 80 10.581 2.768 4.636 1069 HG23 THR 80 HG23 THR 80 12.186 3.016 3.948 1070 H ASN 81 HN ASN 81 11.644 7.703 5.376 1071 HA ASN 81 HA ASN 81 11.537 9.195 2.866 1072 HB2 ASN 81 HB2 ASN 81 10.169 10.232 5.351 1073 HB3 ASN 81 HB1 ASN 81 10.134 10.927 3.734 1074 HD21 ASN 81 HD21 ASN 81 8.329 10.594 2.680 1075 HD22 ASN 81 HD22 ASN 81 7.271 9.240 2.861 1076 H PHE 82 HN PHE 82 11.967 11.721 3.802 1077 HA PHE 82 HA PHE 82 14.488 11.466 5.307 1078 HB2 PHE 82 HB2 PHE 82 13.818 13.028 2.844 1079 HB3 PHE 82 HB1 PHE 82 15.032 13.658 3.953 1080 HD1 PHE 82 HD2 PHE 82 14.198 10.295 2.557 1081 HD2 PHE 82 HD1 PHE 82 17.171 13.258 3.258 1082 HE1 PHE 82 HE2 PHE 82 15.889 8.837 1.524 1083 HE2 PHE 82 HE1 PHE 82 18.868 11.805 2.226 1084 HZ PHE 82 HZ PHE 82 18.228 9.591 1.358 1085 H SER 83 HN SER 83 11.824 11.989 6.358 1086 HA SER 83 HA SER 83 12.470 14.325 7.913 1087 HB2 SER 83 HB2 SER 83 10.365 15.524 7.416 1088 HB3 SER 83 HB1 SER 83 11.393 15.388 5.990 1089 HG SER 83 HG SER 83 9.024 14.841 5.840 1090 H GLY 84 HN GLY 84 11.888 13.930 9.944 1091 HA2 GLY 84 HA2 GLY 84 9.383 12.916 10.736 1092 HA3 GLY 84 HA1 GLY 84 10.546 11.599 10.729 1093 HA PRO 85 HA PRO 85 10.879 14.458 14.590 1094 HB2 PRO 85 HB2 PRO 85 9.216 13.204 16.330 1095 HB3 PRO 85 HB1 PRO 85 8.690 14.531 15.288 1096 HG2 PRO 85 HG2 PRO 85 8.340 11.581 14.919 1097 HG3 PRO 85 HG1 PRO 85 7.171 12.888 14.653 1098 HD2 PRO 85 HD2 PRO 85 8.540 11.723 12.628 1099 HD3 PRO 85 HD1 PRO 85 8.057 13.431 12.595 Start of MODEL 18 1 H2 PRO 1 HT1 PRO 1 3.950 -18.659 3.725 2 H3 PRO 1 HT2 PRO 1 5.084 -19.848 3.779 3 HA PRO 1 HA PRO 1 6.256 -18.249 4.452 4 HB2 PRO 1 HB2 PRO 1 7.212 -17.256 2.060 5 HB3 PRO 1 HB1 PRO 1 7.695 -18.795 2.783 6 HG2 PRO 1 HG2 PRO 1 6.190 -18.401 0.393 7 HG3 PRO 1 HG1 PRO 1 6.592 -19.937 1.177 8 HD2 PRO 1 HD2 PRO 1 4.092 -18.313 1.357 9 HD3 PRO 1 HD1 PRO 1 4.303 -20.073 1.446 10 H SER 2 HN SER 2 3.582 -17.207 4.303 11 HA SER 2 HA SER 2 2.460 -15.234 4.446 12 HB2 SER 2 HB2 SER 2 4.964 -14.737 5.473 13 HB3 SER 2 HB1 SER 2 4.803 -13.475 4.252 14 HG SER 2 HG SER 2 3.252 -13.946 6.547 15 H HIS 3 HN HIS 3 2.799 -12.752 3.361 16 HA HIS 3 HA HIS 3 2.489 -11.556 1.446 17 HB2 HIS 3 HB2 HIS 3 4.131 -13.553 -0.084 18 HB3 HIS 3 HB1 HIS 3 4.048 -11.806 -0.276 19 HD1 HIS 3 HD1 HIS 3 5.986 -14.456 1.326 20 HD2 HIS 3 HD2 HIS 3 5.473 -10.361 1.810 21 HE1 HIS 3 HE1 HIS 3 7.926 -13.697 2.735 22 HE2 HIS 3 HE2 HIS 3 7.641 -11.202 2.942 23 H SER 4 HN SER 4 1.898 -11.904 -1.011 24 HA SER 4 HA SER 4 0.277 -12.530 -2.459 25 HB2 SER 4 HB2 SER 4 0.357 -15.302 -1.299 26 HB3 SER 4 HB1 SER 4 0.000 -14.803 -2.958 27 HG SER 4 HG SER 4 2.119 -14.451 -3.318 28 H GLY 5 HN GLY 5 -1.809 -12.255 -2.499 29 HA2 GLY 5 HA2 GLY 5 -3.678 -13.447 -0.744 30 HA3 GLY 5 HA1 GLY 5 -3.324 -11.802 -0.220 31 H ALA 6 HN ALA 6 -5.819 -11.974 -0.854 32 HA ALA 6 HA ALA 6 -6.019 -11.270 -3.698 33 HB1 ALA 6 HB1 ALA 6 -7.488 -13.057 -3.206 34 HB2 ALA 6 HB2 ALA 6 -8.485 -11.609 -3.366 35 HB3 ALA 6 HB3 ALA 6 -8.106 -12.246 -1.765 36 H ALA 7 HN ALA 7 -6.822 -9.370 -4.359 37 HA ALA 7 HA ALA 7 -7.934 -7.475 -2.480 38 HB1 ALA 7 HB1 ALA 7 -5.607 -6.441 -4.006 39 HB2 ALA 7 HB2 ALA 7 -5.293 -7.394 -2.557 40 HB3 ALA 7 HB3 ALA 7 -6.259 -5.922 -2.452 41 H ILE 8 HN ILE 8 -8.937 -5.664 -3.517 42 HA ILE 8 HA ILE 8 -9.166 -5.994 -6.431 43 HB ILE 8 HB ILE 8 -11.426 -5.407 -4.524 44 HG12 ILE 8 HG12 ILE 8 -11.418 -7.689 -6.423 45 HG13 ILE 8 HG11 ILE 8 -10.379 -7.815 -5.005 46 HG21 ILE 8 HG21 ILE 8 -11.101 -5.120 -7.447 47 HG22 ILE 8 HG22 ILE 8 -12.160 -4.246 -6.338 48 HG23 ILE 8 HG23 ILE 8 -12.606 -5.858 -6.900 49 HD11 ILE 8 HD11 ILE 8 -12.572 -7.078 -3.757 50 HD12 ILE 8 HD12 ILE 8 -12.282 -8.761 -4.197 51 HD13 ILE 8 HD13 ILE 8 -13.337 -7.758 -5.193 52 H PHE 9 HN PHE 9 -9.309 -4.221 -7.659 53 HA PHE 9 HA PHE 9 -9.515 -1.590 -6.422 54 HB2 PHE 9 HB2 PHE 9 -7.079 -2.208 -6.483 55 HB3 PHE 9 HB1 PHE 9 -7.199 -2.283 -8.239 56 HD1 PHE 9 HD1 PHE 9 -8.220 -0.138 -9.351 57 HD2 PHE 9 HD2 PHE 9 -6.385 -0.242 -5.517 58 HE1 PHE 9 HE1 PHE 9 -7.787 2.283 -9.498 59 HE2 PHE 9 HE2 PHE 9 -5.951 2.177 -5.650 60 HZ PHE 9 HZ PHE 9 -6.652 3.443 -7.644 61 H GLU 10 HN GLU 10 -10.309 -0.010 -7.803 62 HA GLU 10 HA GLU 10 -11.648 0.748 -9.481 63 HB2 GLU 10 HB2 GLU 10 -9.243 -0.368 -10.760 64 HB3 GLU 10 HB1 GLU 10 -10.619 -0.175 -11.834 65 HG2 GLU 10 HG2 GLU 10 -10.729 2.132 -11.470 66 HG3 GLU 10 HG1 GLU 10 -9.675 2.043 -10.059 67 H LYS 11 HN LYS 11 -12.527 -1.636 -8.277 68 HA LYS 11 HA LYS 11 -14.145 -3.208 -8.530 69 HB2 LYS 11 HB2 LYS 11 -14.710 -2.520 -11.360 70 HB3 LYS 11 HB1 LYS 11 -15.820 -2.773 -10.021 71 HG2 LYS 11 HG2 LYS 11 -14.897 -0.511 -9.153 72 HG3 LYS 11 HG1 LYS 11 -14.352 -0.293 -10.818 73 HD2 LYS 11 HD2 LYS 11 -17.148 -1.183 -10.453 74 HD3 LYS 11 HD1 LYS 11 -16.777 0.465 -9.944 75 HE2 LYS 11 HE2 LYS 11 -15.721 0.811 -12.198 76 HE3 LYS 11 HE1 LYS 11 -16.380 -0.755 -12.669 77 HZ1 LYS 11 HZ1 LYS 11 -17.881 0.917 -13.389 78 HZ2 LYS 11 HZ2 LYS 11 -17.900 1.665 -11.872 79 HZ3 LYS 11 HZ3 LYS 11 -18.608 0.142 -12.073 80 H VAL 12 HN VAL 12 -11.281 -3.510 -9.639 81 HA VAL 12 HA VAL 12 -11.835 -5.899 -11.282 82 HB VAL 12 HB VAL 12 -9.220 -4.397 -11.265 83 HG11 VAL 12 HG11 VAL 12 -10.092 -5.926 -13.617 84 HG12 VAL 12 HG12 VAL 12 -9.800 -6.887 -12.168 85 HG13 VAL 12 HG13 VAL 12 -8.521 -5.864 -12.819 86 HG21 VAL 12 HG21 VAL 12 -10.230 -3.740 -13.654 87 HG22 VAL 12 HG22 VAL 12 -10.423 -2.729 -12.222 88 HG23 VAL 12 HG23 VAL 12 -11.726 -3.806 -12.722 89 H SER 13 HN SER 13 -11.416 -7.763 -10.276 90 HA SER 13 HA SER 13 -9.889 -7.698 -7.812 91 HB2 SER 13 HB2 SER 13 -10.692 -9.969 -7.449 92 HB3 SER 13 HB1 SER 13 -12.036 -8.905 -7.866 93 HG SER 13 HG SER 13 -11.933 -11.003 -8.981 94 H GLY 14 HN GLY 14 -8.229 -9.133 -7.311 95 HA2 GLY 14 HA2 GLY 14 -6.915 -10.749 -9.255 96 HA3 GLY 14 HA1 GLY 14 -6.111 -9.195 -9.072 97 H ILE 15 HN ILE 15 -4.458 -11.030 -8.431 98 HA ILE 15 HA ILE 15 -4.713 -11.515 -5.537 99 HB ILE 15 HB ILE 15 -2.574 -12.817 -7.179 100 HG12 ILE 15 HG12 ILE 15 -4.437 -14.761 -7.199 101 HG13 ILE 15 HG11 ILE 15 -5.490 -13.357 -7.339 102 HG21 ILE 15 HG21 ILE 15 -3.208 -14.682 -5.484 103 HG22 ILE 15 HG22 ILE 15 -4.028 -13.381 -4.622 104 HG23 ILE 15 HG23 ILE 15 -2.288 -13.286 -4.920 105 HD11 ILE 15 HD11 ILE 15 -3.555 -12.817 -9.188 106 HD12 ILE 15 HD12 ILE 15 -5.125 -13.545 -9.526 107 HD13 ILE 15 HD13 ILE 15 -3.709 -14.571 -9.296 108 H ILE 16 HN ILE 16 -3.398 -10.541 -4.197 109 HA ILE 16 HA ILE 16 -1.362 -8.745 -5.288 110 HB ILE 16 HB ILE 16 -3.086 -7.652 -4.019 111 HG12 ILE 16 HG12 ILE 16 -0.769 -7.748 -2.112 112 HG13 ILE 16 HG11 ILE 16 -0.609 -7.017 -3.707 113 HG21 ILE 16 HG21 ILE 16 -3.919 -9.502 -2.725 114 HG22 ILE 16 HG22 ILE 16 -3.500 -8.165 -1.651 115 HG23 ILE 16 HG23 ILE 16 -2.425 -9.554 -1.785 116 HD11 ILE 16 HD11 ILE 16 -2.048 -6.069 -1.321 117 HD12 ILE 16 HD12 ILE 16 -2.836 -5.789 -2.877 118 HD13 ILE 16 HD13 ILE 16 -1.211 -5.164 -2.584 119 H ALA 17 HN ALA 17 0.726 -9.484 -5.124 120 HA ALA 17 HA ALA 17 1.400 -11.033 -2.700 121 HB1 ALA 17 HB1 ALA 17 2.661 -12.597 -3.919 122 HB2 ALA 17 HB2 ALA 17 2.601 -11.621 -5.386 123 HB3 ALA 17 HB3 ALA 17 1.143 -12.423 -4.800 124 H ILE 18 HN ILE 18 3.357 -10.705 -1.763 125 HA ILE 18 HA ILE 18 4.802 -8.311 -2.612 126 HB ILE 18 HB ILE 18 5.112 -9.958 -0.098 127 HG12 ILE 18 HG12 ILE 18 3.947 -7.209 -0.155 128 HG13 ILE 18 HG11 ILE 18 2.929 -8.560 -0.645 129 HG21 ILE 18 HG21 ILE 18 6.518 -7.587 -1.173 130 HG22 ILE 18 HG22 ILE 18 7.106 -8.878 -0.125 131 HG23 ILE 18 HG23 ILE 18 6.126 -7.574 0.546 132 HD11 ILE 18 HD11 ILE 18 4.183 -8.024 2.015 133 HD12 ILE 18 HD12 ILE 18 3.617 -9.633 1.567 134 HD13 ILE 18 HD13 ILE 18 2.484 -8.282 1.617 135 H ASN 19 HN ASN 19 6.967 -8.276 -3.092 136 HA ASN 19 HA ASN 19 8.310 -10.878 -3.437 137 HB2 ASN 19 HB2 ASN 19 7.416 -9.503 -5.536 138 HB3 ASN 19 HB1 ASN 19 8.935 -8.645 -5.302 139 HD21 ASN 19 HD21 ASN 19 8.037 -10.406 -7.469 140 HD22 ASN 19 HD22 ASN 19 9.225 -11.655 -7.579 141 H GLU 20 HN GLU 20 9.905 -10.976 -2.047 142 HA GLU 20 HA GLU 20 11.469 -8.549 -1.515 143 HB2 GLU 20 HB2 GLU 20 10.291 -9.948 0.370 144 HB3 GLU 20 HB1 GLU 20 11.667 -11.023 0.164 145 HG2 GLU 20 HG2 GLU 20 13.197 -9.253 0.719 146 HG3 GLU 20 HG1 GLU 20 11.877 -8.086 0.784 147 H ASP 21 HN ASP 21 11.682 -10.279 -3.817 148 HA ASP 21 HA ASP 21 14.303 -11.538 -3.435 149 HB2 ASP 21 HB2 ASP 21 12.164 -12.548 -4.693 150 HB3 ASP 21 HB1 ASP 21 12.890 -11.692 -6.049 151 H VAL 22 HN VAL 22 12.708 -8.861 -4.950 152 HA VAL 22 HA VAL 22 15.114 -8.185 -6.486 153 HB VAL 22 HB VAL 22 13.325 -6.130 -6.937 154 HG11 VAL 22 HG11 VAL 22 13.375 -6.838 -9.116 155 HG12 VAL 22 HG12 VAL 22 13.245 -8.542 -8.681 156 HG13 VAL 22 HG13 VAL 22 14.773 -7.690 -8.459 157 HG21 VAL 22 HG21 VAL 22 11.554 -7.345 -5.745 158 HG22 VAL 22 HG22 VAL 22 11.752 -8.702 -6.854 159 HG23 VAL 22 HG23 VAL 22 11.182 -7.146 -7.457 160 H SER 23 HN SER 23 15.758 -5.810 -6.449 161 HA SER 23 HA SER 23 16.669 -5.082 -3.958 162 HB2 SER 23 HB2 SER 23 16.344 -2.641 -5.279 163 HB3 SER 23 HB1 SER 23 17.772 -3.675 -5.308 164 HG SER 23 HG SER 23 17.217 -4.425 -7.240 165 HA PRO 24 HA PRO 24 13.031 -2.166 -3.094 166 HB2 PRO 24 HB2 PRO 24 11.183 -1.605 -4.946 167 HB3 PRO 24 HB1 PRO 24 12.747 -0.772 -4.927 168 HG2 PRO 24 HG2 PRO 24 11.824 -3.034 -6.655 169 HG3 PRO 24 HG1 PRO 24 12.789 -1.613 -7.093 170 HD2 PRO 24 HD2 PRO 24 13.845 -4.106 -6.596 171 HD3 PRO 24 HD1 PRO 24 14.742 -2.587 -6.419 172 H ALA 25 HN ALA 25 12.532 -4.147 -1.936 173 HA ALA 25 HA ALA 25 10.928 -6.225 -2.724 174 HB1 ALA 25 HB1 ALA 25 11.426 -6.718 -0.609 175 HB2 ALA 25 HB2 ALA 25 10.009 -5.761 -0.174 176 HB3 ALA 25 HB3 ALA 25 11.611 -5.020 -0.168 177 H GLU 26 HN GLU 26 9.301 -5.762 -4.062 178 HA GLU 26 HA GLU 26 7.154 -4.015 -3.060 179 HB2 GLU 26 HB2 GLU 26 6.614 -3.644 -5.486 180 HB3 GLU 26 HB1 GLU 26 8.138 -2.956 -4.927 181 HG2 GLU 26 HG2 GLU 26 8.524 -3.921 -7.058 182 HG3 GLU 26 HG1 GLU 26 9.290 -4.965 -5.862 183 H LEU 27 HN LEU 27 4.979 -4.518 -4.158 184 HA LEU 27 HA LEU 27 4.650 -7.410 -4.334 185 HB2 LEU 27 HB2 LEU 27 2.452 -7.144 -3.244 186 HB3 LEU 27 HB1 LEU 27 3.789 -6.689 -2.205 187 HG LEU 27 HG LEU 27 3.263 -4.269 -3.086 188 HD11 LEU 27 HD11 LEU 27 0.549 -4.411 -3.110 189 HD12 LEU 27 HD12 LEU 27 0.985 -5.860 -4.017 190 HD13 LEU 27 HD13 LEU 27 1.564 -4.280 -4.547 191 HD21 LEU 27 HD21 LEU 27 3.026 -4.398 -0.841 192 HD22 LEU 27 HD22 LEU 27 2.085 -5.888 -0.915 193 HD23 LEU 27 HD23 LEU 27 1.312 -4.338 -1.250 194 H THR 28 HN THR 28 3.330 -8.191 -5.932 195 HA THR 28 HA THR 28 2.358 -6.192 -7.815 196 HB THR 28 HB THR 28 2.273 -8.248 -9.325 197 HG1 THR 28 HG1 THR 28 3.809 -9.839 -8.739 198 HG21 THR 28 HG21 THR 28 5.083 -7.862 -8.849 199 HG22 THR 28 HG22 THR 28 4.170 -6.357 -8.947 200 HG23 THR 28 HG23 THR 28 4.104 -7.513 -10.277 201 H TRP 29 HN TRP 29 0.399 -6.366 -8.781 202 HA TRP 29 HA TRP 29 -1.540 -8.119 -7.420 203 HB2 TRP 29 HB2 TRP 29 -1.802 -5.718 -6.845 204 HB3 TRP 29 HB1 TRP 29 -2.049 -5.365 -8.555 205 HD1 TRP 29 HD1 TRP 29 -3.722 -7.187 -5.626 206 HE1 TRP 29 HE1 TRP 29 -6.229 -7.404 -6.136 207 HE3 TRP 29 HE3 TRP 29 -3.720 -5.374 -10.399 208 HZ2 TRP 29 HZ2 TRP 29 -7.980 -6.882 -8.281 209 HZ3 TRP 29 HZ3 TRP 29 -5.865 -5.275 -11.618 210 HH2 TRP 29 HH2 TRP 29 -7.945 -6.013 -10.580 211 H ARG 30 HN ARG 30 -2.041 -9.713 -8.821 212 HA ARG 30 HA ARG 30 -2.324 -9.014 -11.666 213 HB2 ARG 30 HB2 ARG 30 -1.214 -11.302 -10.247 214 HB3 ARG 30 HB1 ARG 30 -2.345 -11.777 -11.505 215 HG2 ARG 30 HG2 ARG 30 -0.954 -10.082 -12.946 216 HG3 ARG 30 HG1 ARG 30 0.283 -10.404 -11.728 217 HD2 ARG 30 HD2 ARG 30 -1.153 -12.498 -13.360 218 HD3 ARG 30 HD1 ARG 30 0.471 -11.892 -13.682 219 HE ARG 30 HE ARG 30 -0.293 -13.816 -11.704 220 HH11 ARG 30 HH11 ARG 30 2.049 -11.354 -12.502 221 HH12 ARG 30 HH12 ARG 30 3.293 -12.039 -11.511 222 HH21 ARG 30 HH21 ARG 30 1.342 -14.718 -10.400 223 HH22 ARG 30 HH22 ARG 30 2.892 -13.949 -10.317 224 H SER 31 HN SER 31 -4.309 -8.890 -12.478 225 HA SER 31 HA SER 31 -6.603 -9.676 -10.975 226 HB2 SER 31 HB2 SER 31 -6.052 -8.220 -13.448 227 HB3 SER 31 HB1 SER 31 -7.511 -9.205 -13.542 228 HG SER 31 HG SER 31 -8.300 -8.144 -11.725 229 H THR 32 HN THR 32 -8.253 -11.173 -11.685 230 HA THR 32 HA THR 32 -7.078 -13.534 -12.954 231 HB THR 32 HB THR 32 -9.014 -14.748 -11.948 232 HG1 THR 32 HG1 THR 32 -10.541 -13.233 -11.647 233 HG21 THR 32 HG21 THR 32 -6.735 -13.906 -10.664 234 HG22 THR 32 HG22 THR 32 -7.871 -15.125 -10.086 235 HG23 THR 32 HG23 THR 32 -8.027 -13.451 -9.553 236 H ASP 33 HN ASP 33 -10.056 -11.666 -12.941 237 HA ASP 33 HA ASP 33 -10.891 -12.870 -15.432 238 HB2 ASP 33 HB2 ASP 33 -12.214 -11.216 -13.342 239 HB3 ASP 33 HB1 ASP 33 -12.870 -11.156 -14.976 240 H GLY 34 HN GLY 34 -9.394 -10.000 -14.295 241 HA2 GLY 34 HA2 GLY 34 -10.042 -8.488 -16.702 242 HA3 GLY 34 HA1 GLY 34 -9.138 -7.900 -15.317 243 H ASP 35 HN ASP 35 -7.655 -10.684 -15.747 244 HA ASP 35 HA ASP 35 -5.612 -11.260 -16.557 245 HB2 ASP 35 HB2 ASP 35 -7.250 -11.303 -18.595 246 HB3 ASP 35 HB1 ASP 35 -6.310 -9.917 -19.140 247 H LYS 36 HN LYS 36 -5.936 -8.558 -15.360 248 HA LYS 36 HA LYS 36 -3.747 -7.144 -16.716 249 HB2 LYS 36 HB2 LYS 36 -4.493 -5.130 -15.632 250 HB3 LYS 36 HB1 LYS 36 -5.867 -5.886 -16.423 251 HG2 LYS 36 HG2 LYS 36 -6.820 -6.543 -14.403 252 HG3 LYS 36 HG1 LYS 36 -5.306 -6.343 -13.518 253 HD2 LYS 36 HD2 LYS 36 -6.736 -4.037 -14.814 254 HD3 LYS 36 HD1 LYS 36 -7.084 -4.559 -13.165 255 HE2 LYS 36 HE2 LYS 36 -4.444 -4.391 -12.962 256 HE3 LYS 36 HE1 LYS 36 -4.667 -3.239 -14.278 257 HZ1 LYS 36 HZ1 LYS 36 -6.117 -3.106 -11.691 258 HZ2 LYS 36 HZ2 LYS 36 -6.125 -1.947 -12.923 259 HZ3 LYS 36 HZ3 LYS 36 -4.712 -2.228 -12.037 260 H VAL 37 HN VAL 37 -2.317 -5.872 -15.165 261 HA VAL 37 HA VAL 37 -1.912 -7.226 -12.615 262 HB VAL 37 HB VAL 37 0.531 -6.782 -14.276 263 HG11 VAL 37 HG11 VAL 37 -0.260 -8.340 -11.880 264 HG12 VAL 37 HG12 VAL 37 1.182 -7.369 -12.179 265 HG13 VAL 37 HG13 VAL 37 1.035 -8.974 -12.896 266 HG21 VAL 37 HG21 VAL 37 0.300 -9.284 -14.879 267 HG22 VAL 37 HG22 VAL 37 -0.588 -8.099 -15.838 268 HG23 VAL 37 HG23 VAL 37 -1.423 -9.034 -14.596 269 H HIS 38 HN HIS 38 -1.100 -5.950 -11.045 270 HA HIS 38 HA HIS 38 -0.110 -3.289 -11.805 271 HB2 HIS 38 HB2 HIS 38 -2.600 -3.557 -10.838 272 HB3 HIS 38 HB1 HIS 38 -1.720 -3.508 -9.314 273 HD1 HIS 38 HD1 HIS 38 -1.929 -1.218 -8.417 274 HD2 HIS 38 HD2 HIS 38 -1.299 -1.214 -12.524 275 HE1 HIS 38 HE1 HIS 38 -1.761 1.205 -9.069 276 HE2 HIS 38 HE2 HIS 38 -1.292 1.180 -11.544 277 H THR 39 HN THR 39 1.925 -3.311 -11.202 278 HA THR 39 HA THR 39 2.758 -4.754 -8.784 279 HB THR 39 HB THR 39 4.365 -3.431 -10.993 280 HG1 THR 39 HG1 THR 39 3.377 -5.276 -11.739 281 HG21 THR 39 HG21 THR 39 6.213 -3.713 -9.826 282 HG22 THR 39 HG22 THR 39 5.824 -5.413 -9.562 283 HG23 THR 39 HG23 THR 39 5.241 -4.190 -8.434 284 H VAL 40 HN VAL 40 2.540 -3.529 -6.982 285 HA VAL 40 HA VAL 40 3.076 -0.659 -7.104 286 HB VAL 40 HB VAL 40 2.172 -2.267 -4.712 287 HG11 VAL 40 HG11 VAL 40 1.851 -0.286 -3.614 288 HG12 VAL 40 HG12 VAL 40 1.604 0.627 -5.103 289 HG13 VAL 40 HG13 VAL 40 3.233 0.148 -4.622 290 HG21 VAL 40 HG21 VAL 40 0.022 -2.171 -5.375 291 HG22 VAL 40 HG22 VAL 40 0.712 -2.003 -6.989 292 HG23 VAL 40 HG23 VAL 40 0.209 -0.571 -6.092 293 H VAL 41 HN VAL 41 5.143 -0.049 -6.860 294 HA VAL 41 HA VAL 41 7.052 -1.770 -5.641 295 HB VAL 41 HB VAL 41 7.500 1.122 -6.327 296 HG11 VAL 41 HG11 VAL 41 9.823 -0.266 -6.779 297 HG12 VAL 41 HG12 VAL 41 9.172 -1.083 -5.357 298 HG13 VAL 41 HG13 VAL 41 9.456 0.658 -5.323 299 HG21 VAL 41 HG21 VAL 41 8.177 -1.171 -8.134 300 HG22 VAL 41 HG22 VAL 41 8.028 0.544 -8.519 301 HG23 VAL 41 HG23 VAL 41 6.585 -0.416 -8.192 302 H LEU 42 HN LEU 42 6.791 -2.142 -3.552 303 HA LEU 42 HA LEU 42 5.852 -0.492 -1.560 304 HB2 LEU 42 HB2 LEU 42 7.762 -2.769 -1.640 305 HB3 LEU 42 HB1 LEU 42 7.558 -1.902 -0.132 306 HG LEU 42 HG LEU 42 5.113 -2.891 -1.526 307 HD11 LEU 42 HD11 LEU 42 7.215 -4.607 -0.301 308 HD12 LEU 42 HD12 LEU 42 6.133 -4.935 -1.656 309 HD13 LEU 42 HD13 LEU 42 5.523 -5.004 -0.004 310 HD21 LEU 42 HD21 LEU 42 5.919 -1.959 1.120 311 HD22 LEU 42 HD22 LEU 42 4.938 -3.424 1.158 312 HD23 LEU 42 HD23 LEU 42 4.329 -1.976 0.356 313 H SER 43 HN SER 43 8.887 -0.412 -3.203 314 HA SER 43 HA SER 43 10.456 0.942 -1.315 315 HB2 SER 43 HB2 SER 43 12.033 0.931 -2.937 316 HB3 SER 43 HB1 SER 43 10.874 -0.022 -3.860 317 HG SER 43 HG SER 43 11.855 2.133 -4.690 318 H THR 44 HN THR 44 8.501 2.135 -3.978 319 HA THR 44 HA THR 44 8.819 4.879 -3.334 320 HB THR 44 HB THR 44 6.578 4.919 -4.765 321 HG1 THR 44 HG1 THR 44 6.453 3.121 -6.104 322 HG21 THR 44 HG21 THR 44 8.636 5.823 -5.619 323 HG22 THR 44 HG22 THR 44 7.881 4.802 -6.844 324 HG23 THR 44 HG23 THR 44 9.256 4.199 -5.920 325 H ILE 45 HN ILE 45 6.852 2.291 -2.169 326 HA ILE 45 HA ILE 45 4.745 3.890 -1.084 327 HB ILE 45 HB ILE 45 5.629 1.115 -0.287 328 HG12 ILE 45 HG12 ILE 45 3.533 2.093 -2.237 329 HG13 ILE 45 HG11 ILE 45 4.985 1.175 -2.619 330 HG21 ILE 45 HG21 ILE 45 3.124 2.673 0.333 331 HG22 ILE 45 HG22 ILE 45 4.323 2.072 1.478 332 HG23 ILE 45 HG23 ILE 45 3.300 0.938 0.597 333 HD11 ILE 45 HD11 ILE 45 2.378 0.261 -1.767 334 HD12 ILE 45 HD12 ILE 45 3.680 -0.415 -0.788 335 HD13 ILE 45 HD13 ILE 45 3.693 -0.624 -2.540 336 H ASP 46 HN ASP 46 4.699 5.047 0.729 337 HA ASP 46 HA ASP 46 6.920 4.726 2.637 338 HB2 ASP 46 HB2 ASP 46 6.333 6.962 1.188 339 HB3 ASP 46 HB1 ASP 46 5.444 7.276 2.676 340 H LYS 47 HN LYS 47 3.628 4.274 2.258 341 HA LYS 47 HA LYS 47 3.291 3.990 5.131 342 HB2 LYS 47 HB2 LYS 47 2.227 6.218 3.704 343 HB3 LYS 47 HB1 LYS 47 0.885 5.191 4.190 344 HG2 LYS 47 HG2 LYS 47 1.090 6.609 5.989 345 HG3 LYS 47 HG1 LYS 47 2.037 5.215 6.512 346 HD2 LYS 47 HD2 LYS 47 3.986 6.353 6.451 347 HD3 LYS 47 HD1 LYS 47 3.526 7.262 5.009 348 HE2 LYS 47 HE2 LYS 47 3.394 8.991 6.444 349 HE3 LYS 47 HE1 LYS 47 1.814 8.305 6.819 350 HZ1 LYS 47 HZ1 LYS 47 4.290 7.601 8.292 351 HZ2 LYS 47 HZ2 LYS 47 2.697 7.220 8.717 352 HZ3 LYS 47 HZ3 LYS 47 3.229 8.824 8.785 353 H LEU 48 HN LEU 48 1.571 2.622 5.727 354 HA LEU 48 HA LEU 48 -0.025 1.338 3.684 355 HB2 LEU 48 HB2 LEU 48 1.923 0.004 3.433 356 HB3 LEU 48 HB1 LEU 48 2.175 -0.091 5.164 357 HG LEU 48 HG LEU 48 1.325 -2.185 3.990 358 HD11 LEU 48 HD11 LEU 48 -0.603 -1.477 6.126 359 HD12 LEU 48 HD12 LEU 48 1.117 -1.423 6.516 360 HD13 LEU 48 HD13 LEU 48 0.392 -2.918 5.924 361 HD21 LEU 48 HD21 LEU 48 -0.669 -2.253 2.988 362 HD22 LEU 48 HD22 LEU 48 -0.551 -0.496 2.948 363 HD23 LEU 48 HD23 LEU 48 -1.440 -1.288 4.247 364 H GLN 49 HN GLN 49 -1.943 0.642 4.519 365 HA GLN 49 HA GLN 49 -2.123 0.257 7.420 366 HB2 GLN 49 HB2 GLN 49 -4.078 1.958 5.870 367 HB3 GLN 49 HB1 GLN 49 -4.113 1.622 7.595 368 HG2 GLN 49 HG2 GLN 49 -2.873 3.404 7.972 369 HG3 GLN 49 HG1 GLN 49 -1.576 2.717 6.997 370 HE21 GLN 49 HE21 GLN 49 -1.132 4.976 6.516 371 HE22 GLN 49 HE22 GLN 49 -2.001 5.749 5.240 372 H ALA 50 HN ALA 50 -3.493 -1.309 8.073 373 HA ALA 50 HA ALA 50 -5.127 -2.619 5.998 374 HB1 ALA 50 HB1 ALA 50 -4.275 -4.286 8.260 375 HB2 ALA 50 HB2 ALA 50 -2.980 -3.752 7.190 376 HB3 ALA 50 HB3 ALA 50 -4.345 -4.654 6.537 377 H THR 51 HN THR 51 -7.073 -3.621 6.715 378 HA THR 51 HA THR 51 -8.430 -2.055 8.676 379 HB THR 51 HB THR 51 -10.357 -3.582 8.069 380 HG1 THR 51 HG1 THR 51 -9.344 -5.388 7.350 381 HG21 THR 51 HG21 THR 51 -8.898 -2.132 5.880 382 HG22 THR 51 HG22 THR 51 -10.145 -1.483 6.937 383 HG23 THR 51 HG23 THR 51 -10.550 -2.729 5.757 384 HA PRO 52 HA PRO 52 -7.719 -4.987 12.010 385 HB2 PRO 52 HB2 PRO 52 -7.940 -3.279 13.988 386 HB3 PRO 52 HB1 PRO 52 -6.633 -3.051 12.814 387 HG2 PRO 52 HG2 PRO 52 -9.268 -1.640 13.011 388 HG3 PRO 52 HG1 PRO 52 -7.665 -0.962 12.690 389 HD2 PRO 52 HD2 PRO 52 -9.567 -1.643 10.757 390 HD3 PRO 52 HD1 PRO 52 -7.845 -1.370 10.449 391 H ALA 53 HN ALA 53 -8.956 -5.693 13.924 392 HA ALA 53 HA ALA 53 -11.636 -6.225 13.392 393 HB1 ALA 53 HB1 ALA 53 -11.725 -6.814 15.871 394 HB2 ALA 53 HB2 ALA 53 -10.025 -6.347 15.920 395 HB3 ALA 53 HB3 ALA 53 -10.547 -7.669 14.876 396 H SER 54 HN SER 54 -10.468 -3.219 14.049 397 HA SER 54 HA SER 54 -12.174 -2.134 15.979 398 HB2 SER 54 HB2 SER 54 -11.066 -0.830 13.504 399 HB3 SER 54 HB1 SER 54 -11.643 0.015 14.943 400 HG SER 54 HG SER 54 -9.382 -0.178 14.986 401 H SER 55 HN SER 55 -12.579 -2.857 12.639 402 HA SER 55 HA SER 55 -15.429 -2.205 12.836 403 HB2 SER 55 HB2 SER 55 -13.423 -1.057 11.006 404 HB3 SER 55 HB1 SER 55 -14.922 -1.591 10.237 405 HG SER 55 HG SER 55 -14.767 0.146 12.476 406 H GLU 56 HN GLU 56 -16.600 -3.154 10.817 407 HA GLU 56 HA GLU 56 -15.703 -5.926 10.579 408 HB2 GLU 56 HB2 GLU 56 -18.101 -5.117 11.251 409 HB3 GLU 56 HB1 GLU 56 -18.319 -4.925 9.517 410 HG2 GLU 56 HG2 GLU 56 -18.433 -7.134 9.155 411 HG3 GLU 56 HG1 GLU 56 -17.184 -7.501 10.344 412 H LYS 57 HN LYS 57 -14.484 -3.714 9.053 413 HA LYS 57 HA LYS 57 -15.333 -4.192 6.336 414 HB2 LYS 57 HB2 LYS 57 -14.027 -2.346 5.723 415 HB3 LYS 57 HB1 LYS 57 -14.669 -1.912 7.300 416 HG2 LYS 57 HG2 LYS 57 -12.086 -3.268 7.407 417 HG3 LYS 57 HG1 LYS 57 -12.070 -1.742 6.540 418 HD2 LYS 57 HD2 LYS 57 -12.258 -0.562 8.413 419 HD3 LYS 57 HD1 LYS 57 -13.584 -1.567 8.991 420 HE2 LYS 57 HE2 LYS 57 -10.637 -2.136 9.240 421 HE3 LYS 57 HE1 LYS 57 -11.734 -1.694 10.542 422 HZ1 LYS 57 HZ1 LYS 57 -11.088 -4.222 9.817 423 HZ2 LYS 57 HZ2 LYS 57 -12.595 -4.012 9.083 424 HZ3 LYS 57 HZ3 LYS 57 -12.429 -3.784 10.749 425 H MET 58 HN MET 58 -12.900 -3.884 5.009 426 HA MET 58 HA MET 58 -10.859 -5.631 5.803 427 HB2 MET 58 HB2 MET 58 -11.483 -7.326 3.837 428 HB3 MET 58 HB1 MET 58 -11.995 -7.583 5.498 429 HG2 MET 58 HG2 MET 58 -13.867 -5.958 3.974 430 HG3 MET 58 HG1 MET 58 -13.613 -7.557 3.281 431 HE1 MET 58 HE1 MET 58 -15.924 -9.671 5.173 432 HE2 MET 58 HE2 MET 58 -14.396 -9.763 4.291 433 HE3 MET 58 HE3 MET 58 -15.740 -8.818 3.641 434 H MET 59 HN MET 59 -9.439 -4.168 4.945 435 HA MET 59 HA MET 59 -8.994 -4.236 2.132 436 HB2 MET 59 HB2 MET 59 -9.442 -1.956 1.558 437 HB3 MET 59 HB1 MET 59 -10.890 -2.605 2.308 438 HG2 MET 59 HG2 MET 59 -9.155 -1.363 4.252 439 HG3 MET 59 HG1 MET 59 -9.565 -0.260 2.946 440 HE1 MET 59 HE1 MET 59 -9.977 0.351 5.609 441 HE2 MET 59 HE2 MET 59 -11.442 -0.091 6.478 442 HE3 MET 59 HE3 MET 59 -11.469 1.246 5.335 443 H LEU 60 HN LEU 60 -7.045 -3.237 1.483 444 HA LEU 60 HA LEU 60 -5.282 -2.382 3.685 445 HB2 LEU 60 HB2 LEU 60 -4.967 -4.524 1.725 446 HB3 LEU 60 HB1 LEU 60 -3.617 -3.409 1.709 447 HG LEU 60 HG LEU 60 -4.607 -4.765 4.215 448 HD11 LEU 60 HD11 LEU 60 -2.562 -5.637 2.195 449 HD12 LEU 60 HD12 LEU 60 -3.862 -6.571 2.938 450 HD13 LEU 60 HD13 LEU 60 -2.447 -6.120 3.891 451 HD21 LEU 60 HD21 LEU 60 -2.010 -4.162 4.610 452 HD22 LEU 60 HD22 LEU 60 -3.345 -3.105 5.063 453 HD23 LEU 60 HD23 LEU 60 -2.487 -2.841 3.548 454 H ARG 61 HN ARG 61 -4.384 -0.407 3.391 455 HA ARG 61 HA ARG 61 -4.424 0.706 0.659 456 HB2 ARG 61 HB2 ARG 61 -6.040 1.828 2.116 457 HB3 ARG 61 HB1 ARG 61 -4.764 2.184 3.274 458 HG2 ARG 61 HG2 ARG 61 -3.668 3.326 1.149 459 HG3 ARG 61 HG1 ARG 61 -5.358 3.440 0.656 460 HD2 ARG 61 HD2 ARG 61 -5.764 4.419 2.990 461 HD3 ARG 61 HD1 ARG 61 -4.016 4.624 3.065 462 HE ARG 61 HE ARG 61 -4.654 5.797 0.724 463 HH11 ARG 61 HH11 ARG 61 -5.911 6.147 3.961 464 HH12 ARG 61 HH12 ARG 61 -6.354 7.806 3.744 465 HH21 ARG 61 HH21 ARG 61 -5.236 7.980 0.437 466 HH22 ARG 61 HH22 ARG 61 -5.972 8.847 1.743 467 H LEU 62 HN LEU 62 -2.647 1.711 -0.117 468 HA LEU 62 HA LEU 62 -0.304 1.907 1.655 469 HB2 LEU 62 HB2 LEU 62 -0.382 0.916 -1.195 470 HB3 LEU 62 HB1 LEU 62 1.090 1.259 -0.309 471 HG LEU 62 HG LEU 62 0.474 -0.504 1.328 472 HD11 LEU 62 HD11 LEU 62 -1.318 -2.099 0.026 473 HD12 LEU 62 HD12 LEU 62 -1.977 -0.490 -0.266 474 HD13 LEU 62 HD13 LEU 62 -1.697 -1.042 1.386 475 HD21 LEU 62 HD21 LEU 62 2.001 -1.295 -0.191 476 HD22 LEU 62 HD22 LEU 62 0.917 -1.069 -1.563 477 HD23 LEU 62 HD23 LEU 62 0.663 -2.414 -0.451 478 H ILE 63 HN ILE 63 0.871 3.745 1.506 479 HA ILE 63 HA ILE 63 0.081 5.687 -0.564 480 HB ILE 63 HB ILE 63 0.774 6.105 2.327 481 HG12 ILE 63 HG12 ILE 63 -1.347 7.734 1.485 482 HG13 ILE 63 HG11 ILE 63 -1.608 6.177 0.702 483 HG21 ILE 63 HG21 ILE 63 2.138 7.713 1.197 484 HG22 ILE 63 HG22 ILE 63 0.736 8.542 1.876 485 HG23 ILE 63 HG23 ILE 63 0.798 8.183 0.149 486 HD11 ILE 63 HD11 ILE 63 -1.148 6.588 3.635 487 HD12 ILE 63 HD12 ILE 63 -1.513 5.063 2.828 488 HD13 ILE 63 HD13 ILE 63 -2.720 6.349 2.870 489 H GLY 64 HN GLY 64 1.659 6.054 -2.002 490 HA2 GLY 64 HA2 GLY 64 4.451 5.727 -1.089 491 HA3 GLY 64 HA1 GLY 64 3.906 5.340 -2.711 492 H LYS 65 HN LYS 65 6.005 6.810 -2.732 493 HA LYS 65 HA LYS 65 6.900 8.706 -3.591 494 HB2 LYS 65 HB2 LYS 65 4.120 8.826 -4.385 495 HB3 LYS 65 HB1 LYS 65 4.759 10.440 -4.102 496 HG2 LYS 65 HG2 LYS 65 5.417 10.283 -6.237 497 HG3 LYS 65 HG1 LYS 65 6.763 9.366 -5.558 498 HD2 LYS 65 HD2 LYS 65 5.861 7.326 -6.194 499 HD3 LYS 65 HD1 LYS 65 4.223 7.974 -6.308 500 HE2 LYS 65 HE2 LYS 65 6.294 9.071 -8.136 501 HE3 LYS 65 HE1 LYS 65 5.680 7.450 -8.459 502 HZ1 LYS 65 HZ1 LYS 65 3.887 9.770 -8.049 503 HZ2 LYS 65 HZ2 LYS 65 3.507 8.263 -8.715 504 HZ3 LYS 65 HZ3 LYS 65 4.482 9.344 -9.575 505 H VAL 66 HN VAL 66 4.066 10.354 -2.279 506 HA VAL 66 HA VAL 66 3.913 12.104 -0.824 507 HB VAL 66 HB VAL 66 4.602 11.607 1.454 508 HG11 VAL 66 HG11 VAL 66 3.646 9.167 1.508 509 HG12 VAL 66 HG12 VAL 66 3.326 9.481 -0.198 510 HG13 VAL 66 HG13 VAL 66 2.623 10.525 1.038 511 HG21 VAL 66 HG21 VAL 66 6.025 9.182 0.370 512 HG22 VAL 66 HG22 VAL 66 5.960 9.731 2.044 513 HG23 VAL 66 HG23 VAL 66 6.841 10.672 0.841 514 H ASP 67 HN ASP 67 5.348 13.349 0.972 515 HA ASP 67 HA ASP 67 6.701 15.266 0.765 516 HB2 ASP 67 HB2 ASP 67 7.577 13.253 2.250 517 HB3 ASP 67 HB1 ASP 67 8.907 13.296 1.096 518 H GLU 68 HN GLU 68 6.843 16.218 -1.219 519 HA GLU 68 HA GLU 68 8.136 15.141 -3.471 520 HB2 GLU 68 HB2 GLU 68 7.974 17.356 -4.424 521 HB3 GLU 68 HB1 GLU 68 6.496 16.995 -3.543 522 HG2 GLU 68 HG2 GLU 68 8.482 18.331 -1.897 523 HG3 GLU 68 HG1 GLU 68 8.019 19.273 -3.313 524 H SER 69 HN SER 69 9.433 16.465 -0.610 525 HA SER 69 HA SER 69 11.719 17.763 -1.384 526 HB2 SER 69 HB2 SER 69 10.971 16.136 0.989 527 HB3 SER 69 HB1 SER 69 12.678 16.527 0.778 528 HG SER 69 HG SER 69 12.262 18.502 1.345 529 H LYS 70 HN LYS 70 11.057 14.359 -1.523 530 HA LYS 70 HA LYS 70 13.807 13.667 -2.040 531 HB2 LYS 70 HB2 LYS 70 13.012 11.376 -2.209 532 HB3 LYS 70 HB1 LYS 70 12.379 12.142 -0.757 533 HG2 LYS 70 HG2 LYS 70 10.502 12.608 -2.802 534 HG3 LYS 70 HG1 LYS 70 10.967 10.907 -2.907 535 HD2 LYS 70 HD2 LYS 70 10.148 12.259 -0.343 536 HD3 LYS 70 HD1 LYS 70 9.022 11.390 -1.389 537 HE2 LYS 70 HE2 LYS 70 11.518 10.022 -0.506 538 HE3 LYS 70 HE1 LYS 70 10.193 10.195 0.644 539 HZ1 LYS 70 HZ1 LYS 70 9.562 8.262 -0.301 540 HZ2 LYS 70 HZ2 LYS 70 10.365 8.562 -1.759 541 HZ3 LYS 70 HZ3 LYS 70 8.867 9.285 -1.456 542 H LYS 71 HN LYS 71 11.756 15.240 -3.906 543 HA LYS 71 HA LYS 71 11.380 13.857 -6.259 544 HB2 LYS 71 HB2 LYS 71 11.043 15.913 -7.324 545 HB3 LYS 71 HB1 LYS 71 10.610 16.219 -5.651 546 HG2 LYS 71 HG2 LYS 71 13.394 16.784 -6.053 547 HG3 LYS 71 HG1 LYS 71 12.425 17.633 -7.255 548 HD2 LYS 71 HD2 LYS 71 11.987 17.719 -4.270 549 HD3 LYS 71 HD1 LYS 71 12.777 18.974 -5.224 550 HE2 LYS 71 HE2 LYS 71 10.699 19.251 -6.525 551 HE3 LYS 71 HE1 LYS 71 9.918 18.050 -5.497 552 HZ1 LYS 71 HZ1 LYS 71 9.412 20.317 -4.803 553 HZ2 LYS 71 HZ2 LYS 71 11.056 20.627 -4.557 554 HZ3 LYS 71 HZ3 LYS 71 10.260 19.485 -3.597 555 H ARG 72 HN ARG 72 12.596 14.877 -8.374 556 HA ARG 72 HA ARG 72 15.460 14.304 -7.982 557 HB2 ARG 72 HB2 ARG 72 14.109 13.753 -10.594 558 HB3 ARG 72 HB1 ARG 72 15.534 12.996 -9.895 559 HG2 ARG 72 HG2 ARG 72 13.921 11.336 -9.775 560 HG3 ARG 72 HG1 ARG 72 13.911 12.031 -8.152 561 HD2 ARG 72 HD2 ARG 72 11.868 13.021 -8.438 562 HD3 ARG 72 HD1 ARG 72 12.070 13.177 -10.183 563 HE ARG 72 HE ARG 72 10.793 11.056 -8.820 564 HH11 ARG 72 HH11 ARG 72 12.886 11.683 -11.542 565 HH12 ARG 72 HH12 ARG 72 12.361 10.290 -12.426 566 HH21 ARG 72 HH21 ARG 72 10.101 9.223 -9.982 567 HH22 ARG 72 HH22 ARG 72 10.780 8.893 -11.541 568 H LYS 73 HN LYS 73 16.255 14.893 -10.615 569 HA LYS 73 HA LYS 73 15.728 17.792 -10.723 570 HB2 LYS 73 HB2 LYS 73 18.050 17.814 -11.878 571 HB3 LYS 73 HB1 LYS 73 17.976 17.637 -10.131 572 HG2 LYS 73 HG2 LYS 73 19.609 16.131 -11.196 573 HG3 LYS 73 HG1 LYS 73 18.355 15.270 -10.301 574 HD2 LYS 73 HD2 LYS 73 17.183 14.762 -12.352 575 HD3 LYS 73 HD1 LYS 73 18.328 15.730 -13.282 576 HE2 LYS 73 HE2 LYS 73 19.520 13.617 -11.616 577 HE3 LYS 73 HE1 LYS 73 18.510 13.048 -12.944 578 HZ1 LYS 73 HZ1 LYS 73 19.866 14.095 -14.512 579 HZ2 LYS 73 HZ2 LYS 73 20.957 13.398 -13.424 580 HZ3 LYS 73 HZ3 LYS 73 20.640 15.058 -13.356 581 H ASP 74 HN ASP 74 16.755 18.490 -13.099 582 HA ASP 74 HA ASP 74 15.933 16.718 -15.194 583 HB2 ASP 74 HB2 ASP 74 13.895 18.163 -14.148 584 HB3 ASP 74 HB1 ASP 74 14.481 19.288 -15.370 585 H ASN 75 HN ASN 75 15.631 18.584 -17.243 586 HA ASN 75 HA ASN 75 18.219 19.101 -18.015 587 HB2 ASN 75 HB2 ASN 75 15.593 20.278 -18.848 588 HB3 ASN 75 HB1 ASN 75 17.095 20.890 -19.535 589 HD21 ASN 75 HD21 ASN 75 18.522 19.288 -20.544 590 HD22 ASN 75 HD22 ASN 75 17.803 17.957 -21.378 591 H GLU 76 HN GLU 76 16.149 21.895 -17.604 592 HA GLU 76 HA GLU 76 18.374 23.396 -16.557 593 HB2 GLU 76 HB2 GLU 76 15.698 24.062 -17.673 594 HB3 GLU 76 HB1 GLU 76 16.442 25.224 -16.583 595 HG2 GLU 76 HG2 GLU 76 17.916 24.124 -18.947 596 HG3 GLU 76 HG1 GLU 76 16.831 25.506 -19.088 597 H GLY 77 HN GLY 77 17.881 21.595 -14.689 598 HA2 GLY 77 HA2 GLY 77 17.357 21.288 -12.475 599 HA3 GLY 77 HA1 GLY 77 17.393 23.042 -12.365 600 H ASN 78 HN ASN 78 15.142 21.444 -14.481 601 HA ASN 78 HA ASN 78 12.905 22.736 -13.401 602 HB2 ASN 78 HB2 ASN 78 13.343 21.418 -15.693 603 HB3 ASN 78 HB1 ASN 78 12.490 20.154 -14.813 604 HD21 ASN 78 HD21 ASN 78 10.575 21.305 -13.470 605 HD22 ASN 78 HD22 ASN 78 9.510 22.212 -14.485 606 H GLU 79 HN GLU 79 14.259 19.537 -12.800 607 HA GLU 79 HA GLU 79 13.829 17.956 -11.219 608 HB2 GLU 79 HB2 GLU 79 12.605 20.223 -9.640 609 HB3 GLU 79 HB1 GLU 79 13.286 18.732 -9.006 610 HG2 GLU 79 HG2 GLU 79 15.394 19.760 -10.389 611 HG3 GLU 79 HG1 GLU 79 14.600 21.218 -9.796 612 H VAL 80 HN VAL 80 11.787 17.528 -9.433 613 HA VAL 80 HA VAL 80 9.263 17.804 -10.848 614 HB VAL 80 HB VAL 80 10.626 15.609 -11.499 615 HG11 VAL 80 HG11 VAL 80 10.195 13.716 -10.183 616 HG12 VAL 80 HG12 VAL 80 8.999 14.559 -9.200 617 HG13 VAL 80 HG13 VAL 80 10.710 14.952 -9.035 618 HG21 VAL 80 HG21 VAL 80 7.811 14.953 -11.009 619 HG22 VAL 80 HG22 VAL 80 8.725 14.995 -12.517 620 HG23 VAL 80 HG23 VAL 80 8.079 16.488 -11.836 621 H VAL 81 HN VAL 81 7.654 16.185 -9.452 622 HA VAL 81 HA VAL 81 8.164 16.566 -6.628 623 HB VAL 81 HB VAL 81 5.637 17.521 -7.964 624 HG11 VAL 81 HG11 VAL 81 6.206 18.345 -5.213 625 HG12 VAL 81 HG12 VAL 81 5.935 16.613 -5.404 626 HG13 VAL 81 HG13 VAL 81 4.707 17.763 -5.935 627 HG21 VAL 81 HG21 VAL 81 6.378 19.773 -7.331 628 HG22 VAL 81 HG22 VAL 81 7.502 19.002 -8.452 629 HG23 VAL 81 HG23 VAL 81 7.895 19.098 -6.735 630 HA PRO 82 HA PRO 82 6.780 12.244 -7.437 631 HB2 PRO 82 HB2 PRO 82 7.449 12.361 -4.517 632 HB3 PRO 82 HB1 PRO 82 7.782 11.080 -5.692 633 HG2 PRO 82 HG2 PRO 82 9.715 12.731 -4.978 634 HG3 PRO 82 HG1 PRO 82 9.527 12.275 -6.683 635 HD2 PRO 82 HD2 PRO 82 8.814 14.825 -5.312 636 HD3 PRO 82 HD1 PRO 82 9.426 14.562 -6.958 637 H LYS 83 HN LYS 83 4.598 12.900 -7.771 638 HA LYS 83 HA LYS 83 2.862 13.806 -5.769 639 HB2 LYS 83 HB2 LYS 83 2.253 12.209 -8.263 640 HB3 LYS 83 HB1 LYS 83 1.045 13.016 -7.273 641 HG2 LYS 83 HG2 LYS 83 1.306 14.731 -8.670 642 HG3 LYS 83 HG1 LYS 83 2.806 15.041 -7.793 643 HD2 LYS 83 HD2 LYS 83 3.702 13.216 -9.528 644 HD3 LYS 83 HD1 LYS 83 2.377 13.881 -10.486 645 HE2 LYS 83 HE2 LYS 83 3.417 15.859 -10.785 646 HE3 LYS 83 HE1 LYS 83 4.087 15.869 -9.154 647 HZ1 LYS 83 HZ1 LYS 83 5.636 15.598 -11.203 648 HZ2 LYS 83 HZ2 LYS 83 5.156 13.977 -11.131 649 HZ3 LYS 83 HZ3 LYS 83 5.924 14.690 -9.804 650 HA PRO 84 HA PRO 84 2.327 10.309 -3.108 651 HB2 PRO 84 HB2 PRO 84 -0.500 11.217 -2.958 652 HB3 PRO 84 HB1 PRO 84 0.651 10.895 -1.657 653 HG2 PRO 84 HG2 PRO 84 0.025 13.395 -2.334 654 HG3 PRO 84 HG1 PRO 84 1.683 12.959 -1.879 655 HD2 PRO 84 HD2 PRO 84 0.532 13.480 -4.585 656 HD3 PRO 84 HD1 PRO 84 2.139 13.880 -3.944 657 H GLN 85 HN GLN 85 1.625 8.239 -3.247 658 HA GLN 85 HA GLN 85 -0.224 7.587 -5.447 659 HB2 GLN 85 HB2 GLN 85 2.155 6.924 -5.860 660 HB3 GLN 85 HB1 GLN 85 2.062 5.878 -4.450 661 HG2 GLN 85 HG2 GLN 85 0.205 4.655 -5.551 662 HG3 GLN 85 HG1 GLN 85 0.468 5.639 -6.990 663 HE21 GLN 85 HE21 GLN 85 0.841 3.604 -8.059 664 HE22 GLN 85 HE22 GLN 85 2.396 2.858 -7.963 665 H ARG 86 HN ARG 86 -1.565 8.054 -3.327 666 HA ARG 86 HA ARG 86 -1.713 5.814 -1.511 667 HB2 ARG 86 HB2 ARG 86 -3.807 7.951 -1.658 668 HB3 ARG 86 HB1 ARG 86 -3.204 7.083 -0.255 669 HG2 ARG 86 HG2 ARG 86 -1.126 8.338 -0.343 670 HG3 ARG 86 HG1 ARG 86 -1.677 9.174 -1.794 671 HD2 ARG 86 HD2 ARG 86 -1.974 10.558 0.195 672 HD3 ARG 86 HD1 ARG 86 -3.521 10.158 -0.548 673 HE ARG 86 HE ARG 86 -3.248 8.239 1.325 674 HH11 ARG 86 HH11 ARG 86 -2.984 11.717 1.452 675 HH12 ARG 86 HH12 ARG 86 -3.512 11.822 3.097 676 HH21 ARG 86 HH21 ARG 86 -3.944 8.376 3.488 677 HH22 ARG 86 HH22 ARG 86 -4.058 9.925 4.254 678 H HIS 87 HN HIS 87 -3.027 4.099 -1.661 679 HA HIS 87 HA HIS 87 -5.416 4.245 -3.324 680 HB2 HIS 87 HB2 HIS 87 -4.622 1.856 -4.193 681 HB3 HIS 87 HB1 HIS 87 -4.190 3.341 -5.032 682 HD1 HIS 87 HD1 HIS 87 -1.754 3.777 -5.350 683 HD2 HIS 87 HD2 HIS 87 -2.472 0.848 -2.492 684 HE1 HIS 87 HE1 HIS 87 0.506 2.844 -4.762 685 HE2 HIS 87 HE2 HIS 87 0.032 0.989 -3.125 686 H MET 88 HN MET 88 -7.072 3.065 -2.545 687 HA MET 88 HA MET 88 -6.548 1.483 -0.127 688 HB2 MET 88 HB2 MET 88 -8.204 3.452 -0.165 689 HB3 MET 88 HB1 MET 88 -9.258 2.387 -1.085 690 HG2 MET 88 HG2 MET 88 -9.439 0.861 0.718 691 HG3 MET 88 HG1 MET 88 -8.140 1.654 1.607 692 HE1 MET 88 HE1 MET 88 -11.171 1.490 3.446 693 HE2 MET 88 HE2 MET 88 -10.321 2.853 4.160 694 HE3 MET 88 HE3 MET 88 -9.413 1.471 3.551 695 H PHE 89 HN PHE 89 -6.312 -0.610 -0.518 696 HA PHE 89 HA PHE 89 -7.736 -1.877 -2.732 697 HB2 PHE 89 HB2 PHE 89 -5.205 -2.244 -1.497 698 HB3 PHE 89 HB1 PHE 89 -6.131 -3.710 -1.212 699 HD1 PHE 89 HD2 PHE 89 -7.632 -4.196 -3.545 700 HD2 PHE 89 HD1 PHE 89 -3.736 -2.518 -3.219 701 HE1 PHE 89 HE2 PHE 89 -7.112 -4.970 -5.821 702 HE2 PHE 89 HE1 PHE 89 -3.211 -3.287 -5.495 703 HZ PHE 89 HZ PHE 89 -4.902 -4.515 -6.794 704 H SER 90 HN SER 90 -9.665 -2.816 -2.355 705 HA SER 90 HA SER 90 -10.211 -3.748 0.387 706 HB2 SER 90 HB2 SER 90 -12.045 -2.558 -1.687 707 HB3 SER 90 HB1 SER 90 -12.644 -3.394 -0.255 708 HG SER 90 HG SER 90 -10.817 -1.236 -0.118 709 H PHE 91 HN PHE 91 -10.672 -5.808 0.710 710 HA PHE 91 HA PHE 91 -11.595 -7.417 -1.560 711 HB2 PHE 91 HB2 PHE 91 -10.146 -9.220 -0.000 712 HB3 PHE 91 HB1 PHE 91 -9.698 -8.587 -1.580 713 HD1 PHE 91 HD2 PHE 91 -8.718 -5.926 -1.093 714 HD2 PHE 91 HD1 PHE 91 -8.349 -9.404 1.322 715 HE1 PHE 91 HE2 PHE 91 -6.650 -5.031 -0.118 716 HE2 PHE 91 HE1 PHE 91 -6.278 -8.530 2.265 717 HZ PHE 91 HZ PHE 91 -5.419 -6.339 1.562 718 H ASN 92 HN ASN 92 -12.445 -9.606 -0.740 719 HA ASN 92 HA ASN 92 -14.274 -9.006 1.453 720 HB2 ASN 92 HB2 ASN 92 -14.249 -11.157 -0.664 721 HB3 ASN 92 HB1 ASN 92 -15.405 -11.139 0.664 722 HD21 ASN 92 HD21 ASN 92 -14.714 -10.048 -2.435 723 HD22 ASN 92 HD22 ASN 92 -15.992 -8.896 -2.590 724 H ASN 93 HN ASN 93 -11.414 -9.726 1.874 725 HA ASN 93 HA ASN 93 -11.847 -12.121 3.528 726 HB2 ASN 93 HB2 ASN 93 -9.583 -11.347 1.760 727 HB3 ASN 93 HB1 ASN 93 -9.193 -12.182 3.261 728 HD21 ASN 93 HD21 ASN 93 -10.739 -14.118 3.653 729 HD22 ASN 93 HD22 ASN 93 -10.937 -15.174 2.300 730 H ARG 94 HN ARG 94 -11.145 -12.110 5.607 731 HA ARG 94 HA ARG 94 -10.195 -9.520 6.634 732 HB2 ARG 94 HB2 ARG 94 -12.397 -10.205 7.483 733 HB3 ARG 94 HB1 ARG 94 -11.708 -11.714 8.064 734 HG2 ARG 94 HG2 ARG 94 -10.094 -9.969 9.311 735 HG3 ARG 94 HG1 ARG 94 -11.566 -9.001 9.201 736 HD2 ARG 94 HD2 ARG 94 -12.762 -11.074 10.123 737 HD3 ARG 94 HD1 ARG 94 -11.153 -11.647 10.557 738 HE ARG 94 HE ARG 94 -11.727 -8.989 11.490 739 HH11 ARG 94 HH11 ARG 94 -12.003 -12.395 12.202 740 HH12 ARG 94 HH12 ARG 94 -12.119 -12.155 13.913 741 HH21 ARG 94 HH21 ARG 94 -11.880 -8.672 13.741 742 HH22 ARG 94 HH22 ARG 94 -12.050 -10.042 14.787 743 H THR 95 HN THR 95 -9.658 -12.969 6.585 744 HA THR 95 HA THR 95 -7.522 -12.888 8.519 745 HB THR 95 HB THR 95 -9.181 -14.858 7.751 746 HG1 THR 95 HG1 THR 95 -7.759 -16.244 8.832 747 HG21 THR 95 HG21 THR 95 -7.977 -16.581 6.539 748 HG22 THR 95 HG22 THR 95 -6.650 -15.458 6.241 749 HG23 THR 95 HG23 THR 95 -8.237 -15.158 5.530 750 H VAL 96 HN VAL 96 -7.820 -13.291 5.014 751 HA VAL 96 HA VAL 96 -5.118 -13.603 4.387 752 HB VAL 96 HB VAL 96 -7.051 -12.065 2.656 753 HG11 VAL 96 HG11 VAL 96 -5.040 -12.017 1.560 754 HG12 VAL 96 HG12 VAL 96 -5.704 -13.526 0.934 755 HG13 VAL 96 HG13 VAL 96 -4.510 -13.559 2.232 756 HG21 VAL 96 HG21 VAL 96 -6.911 -15.018 3.179 757 HG22 VAL 96 HG22 VAL 96 -7.571 -14.361 1.681 758 HG23 VAL 96 HG23 VAL 96 -8.316 -13.954 3.226 759 H MET 97 HN MET 97 -7.047 -10.620 4.088 760 HA MET 97 HA MET 97 -5.176 -8.782 3.499 761 HB2 MET 97 HB2 MET 97 -6.494 -7.165 4.885 762 HB3 MET 97 HB1 MET 97 -7.434 -8.108 3.750 763 HG2 MET 97 HG2 MET 97 -8.792 -8.447 5.477 764 HG3 MET 97 HG1 MET 97 -7.610 -9.661 5.953 765 HE1 MET 97 HE1 MET 97 -7.233 -5.366 7.480 766 HE2 MET 97 HE2 MET 97 -7.604 -5.877 5.833 767 HE3 MET 97 HE3 MET 97 -5.979 -6.098 6.483 768 H ASP 98 HN ASP 98 -5.886 -9.677 6.874 769 HA ASP 98 HA ASP 98 -3.898 -8.047 8.000 770 HB2 ASP 98 HB2 ASP 98 -5.588 -10.297 8.954 771 HB3 ASP 98 HB1 ASP 98 -4.168 -9.895 9.915 772 H ASN 99 HN ASN 99 -3.664 -11.126 6.465 773 HA ASN 99 HA ASN 99 -1.213 -11.900 7.742 774 HB2 ASN 99 HB2 ASN 99 -3.123 -13.217 6.249 775 HB3 ASN 99 HB1 ASN 99 -1.756 -13.130 5.142 776 HD21 ASN 99 HD21 ASN 99 -3.133 -15.217 6.997 777 HD22 ASN 99 HD22 ASN 99 -1.785 -16.034 7.704 778 H ILE 100 HN ILE 100 -2.098 -10.217 4.789 779 HA ILE 100 HA ILE 100 0.637 -10.215 3.834 780 HB ILE 100 HB ILE 100 -1.202 -10.445 2.234 781 HG12 ILE 100 HG12 ILE 100 0.452 -7.928 1.960 782 HG13 ILE 100 HG11 ILE 100 0.888 -9.544 1.416 783 HG21 ILE 100 HG21 ILE 100 -3.038 -9.254 2.624 784 HG22 ILE 100 HG22 ILE 100 -2.197 -7.908 1.857 785 HG23 ILE 100 HG23 ILE 100 -2.170 -8.080 3.611 786 HD11 ILE 100 HD11 ILE 100 -1.257 -7.752 0.315 787 HD12 ILE 100 HD12 ILE 100 -1.067 -9.449 -0.139 788 HD13 ILE 100 HD13 ILE 100 0.222 -8.293 -0.483 789 H LYS 101 HN LYS 101 -1.494 -8.021 5.564 790 HA LYS 101 HA LYS 101 -0.020 -5.661 5.008 791 HB2 LYS 101 HB2 LYS 101 -1.357 -4.648 6.730 792 HB3 LYS 101 HB1 LYS 101 -2.384 -5.699 5.777 793 HG2 LYS 101 HG2 LYS 101 -3.101 -6.289 7.833 794 HG3 LYS 101 HG1 LYS 101 -1.772 -7.435 7.670 795 HD2 LYS 101 HD2 LYS 101 -1.832 -6.292 9.873 796 HD3 LYS 101 HD1 LYS 101 -0.330 -6.023 8.991 797 HE2 LYS 101 HE2 LYS 101 -1.297 -3.864 8.187 798 HE3 LYS 101 HE1 LYS 101 -2.646 -4.119 9.290 799 HZ1 LYS 101 HZ1 LYS 101 -0.151 -4.425 10.623 800 HZ2 LYS 101 HZ2 LYS 101 -1.438 -3.388 10.983 801 HZ3 LYS 101 HZ3 LYS 101 -0.253 -2.909 9.877 802 H MET 102 HN MET 102 0.071 -8.101 7.498 803 HA MET 102 HA MET 102 1.826 -6.799 9.276 804 HB2 MET 102 HB2 MET 102 2.184 -8.997 10.266 805 HB3 MET 102 HB1 MET 102 0.479 -8.750 9.912 806 HG2 MET 102 HG2 MET 102 0.527 -10.220 8.092 807 HG3 MET 102 HG1 MET 102 2.288 -10.206 8.018 808 HE1 MET 102 HE1 MET 102 3.728 -10.872 9.923 809 HE2 MET 102 HE2 MET 102 3.477 -12.366 10.825 810 HE3 MET 102 HE3 MET 102 2.888 -10.836 11.473 811 H THR 103 HN THR 103 2.393 -8.696 6.390 812 HA THR 103 HA THR 103 5.257 -8.807 6.869 813 HB THR 103 HB THR 103 3.698 -9.722 4.450 814 HG1 THR 103 HG1 THR 103 4.458 -11.125 6.793 815 HG21 THR 103 HG21 THR 103 5.679 -11.378 4.405 816 HG22 THR 103 HG22 THR 103 6.507 -10.147 5.358 817 HG23 THR 103 HG23 THR 103 5.892 -9.753 3.753 818 H LEU 104 HN LEU 104 2.990 -7.107 4.770 819 HA LEU 104 HA LEU 104 5.112 -5.867 3.262 820 HB2 LEU 104 HB2 LEU 104 3.519 -5.442 1.766 821 HB3 LEU 104 HB1 LEU 104 2.458 -6.405 2.770 822 HG LEU 104 HG LEU 104 2.078 -4.042 3.962 823 HD11 LEU 104 HD11 LEU 104 1.921 -2.332 2.112 824 HD12 LEU 104 HD12 LEU 104 2.944 -3.402 1.154 825 HD13 LEU 104 HD13 LEU 104 3.551 -2.721 2.664 826 HD21 LEU 104 HD21 LEU 104 0.603 -4.308 1.420 827 HD22 LEU 104 HD22 LEU 104 0.005 -4.150 3.072 828 HD23 LEU 104 HD23 LEU 104 0.580 -5.712 2.488 829 H GLN 105 HN GLN 105 3.174 -5.074 6.044 830 HA GLN 105 HA GLN 105 3.664 -2.267 6.007 831 HB2 GLN 105 HB2 GLN 105 1.795 -3.297 7.259 832 HB3 GLN 105 HB1 GLN 105 2.954 -4.042 8.349 833 HG2 GLN 105 HG2 GLN 105 3.618 -1.350 8.377 834 HG3 GLN 105 HG1 GLN 105 1.855 -1.372 8.359 835 HE21 GLN 105 HE21 GLN 105 1.506 -3.804 9.751 836 HE22 GLN 105 HE22 GLN 105 1.969 -3.546 11.395 837 H GLN 106 HN GLN 106 5.051 -4.911 7.953 838 HA GLN 106 HA GLN 106 6.907 -3.500 9.404 839 HB2 GLN 106 HB2 GLN 106 7.013 -6.281 8.255 840 HB3 GLN 106 HB1 GLN 106 8.295 -5.652 9.280 841 HG2 GLN 106 HG2 GLN 106 5.638 -5.283 10.411 842 HG3 GLN 106 HG1 GLN 106 6.052 -6.974 10.130 843 HE21 GLN 106 HE21 GLN 106 7.834 -7.868 11.205 844 HE22 GLN 106 HE22 GLN 106 8.492 -7.140 12.627 845 H ILE 107 HN ILE 107 7.259 -4.782 6.114 846 HA ILE 107 HA ILE 107 9.910 -4.228 5.666 847 HB ILE 107 HB ILE 107 7.595 -4.821 4.062 848 HG12 ILE 107 HG12 ILE 107 10.518 -5.116 3.414 849 HG13 ILE 107 HG11 ILE 107 9.665 -6.158 4.552 850 HG21 ILE 107 HG21 ILE 107 9.543 -2.856 2.875 851 HG22 ILE 107 HG22 ILE 107 7.799 -2.664 3.050 852 HG23 ILE 107 HG23 ILE 107 8.446 -3.860 1.928 853 HD11 ILE 107 HD11 ILE 107 8.720 -5.815 1.731 854 HD12 ILE 107 HD12 ILE 107 8.334 -7.098 2.880 855 HD13 ILE 107 HD13 ILE 107 9.946 -7.005 2.169 856 H ILE 108 HN ILE 108 7.151 -2.041 5.043 857 HA ILE 108 HA ILE 108 8.645 0.117 4.109 858 HB ILE 108 HB ILE 108 6.220 0.510 5.837 859 HG12 ILE 108 HG12 ILE 108 6.198 -0.234 2.906 860 HG13 ILE 108 HG11 ILE 108 5.814 -1.348 4.213 861 HG21 ILE 108 HG21 ILE 108 7.832 2.256 4.463 862 HG22 ILE 108 HG22 ILE 108 6.179 2.576 4.991 863 HG23 ILE 108 HG23 ILE 108 6.486 2.005 3.350 864 HD11 ILE 108 HD11 ILE 108 3.725 -0.712 3.694 865 HD12 ILE 108 HD12 ILE 108 4.230 0.862 3.081 866 HD13 ILE 108 HD13 ILE 108 4.106 0.590 4.819 867 H SER 109 HN SER 109 7.917 -0.964 7.324 868 HA SER 109 HA SER 109 9.044 1.299 8.659 869 HB2 SER 109 HB2 SER 109 7.322 -0.558 9.473 870 HB3 SER 109 HB1 SER 109 8.801 -1.351 10.016 871 HG SER 109 HG SER 109 7.522 0.437 11.327 872 H ARG 110 HN ARG 110 10.261 -1.642 7.305 873 HA ARG 110 HA ARG 110 12.744 -1.528 8.787 874 HB2 ARG 110 HB2 ARG 110 13.105 -3.644 8.078 875 HB3 ARG 110 HB1 ARG 110 11.399 -3.605 7.673 876 HG2 ARG 110 HG2 ARG 110 12.382 -4.486 5.775 877 HG3 ARG 110 HG1 ARG 110 12.188 -2.785 5.360 878 HD2 ARG 110 HD2 ARG 110 14.355 -2.897 4.789 879 HD3 ARG 110 HD1 ARG 110 14.646 -2.778 6.524 880 HE ARG 110 HE ARG 110 14.334 -5.448 6.074 881 HH11 ARG 110 HH11 ARG 110 16.414 -2.973 4.761 882 HH12 ARG 110 HH12 ARG 110 17.716 -4.066 4.431 883 HH21 ARG 110 HH21 ARG 110 16.046 -6.887 5.642 884 HH22 ARG 110 HH22 ARG 110 17.507 -6.288 4.931 885 H TYR 111 HN TYR 111 11.582 -0.917 5.492 886 HA TYR 111 HA TYR 111 14.071 -0.233 4.374 887 HB2 TYR 111 HB2 TYR 111 11.224 0.198 3.659 888 HB3 TYR 111 HB1 TYR 111 12.398 1.262 2.893 889 HD1 TYR 111 HD2 TYR 111 14.670 -0.398 2.343 890 HD2 TYR 111 HD1 TYR 111 10.541 -1.389 2.141 891 HE1 TYR 111 HE2 TYR 111 15.179 -2.145 0.689 892 HE2 TYR 111 HE1 TYR 111 11.034 -3.139 0.484 893 HH TYR 111 HH TYR 111 14.140 -3.438 -1.004 894 H LYS 112 HN LYS 112 11.539 1.825 5.799 895 HA LYS 112 HA LYS 112 12.672 4.308 5.419 896 HB2 LYS 112 HB2 LYS 112 11.011 3.209 7.675 897 HB3 LYS 112 HB1 LYS 112 11.528 4.888 7.654 898 HG2 LYS 112 HG2 LYS 112 9.685 3.480 5.753 899 HG3 LYS 112 HG1 LYS 112 9.352 4.873 6.780 900 HD2 LYS 112 HD2 LYS 112 9.645 5.961 4.802 901 HD3 LYS 112 HD1 LYS 112 11.328 5.912 5.332 902 HE2 LYS 112 HE2 LYS 112 11.638 5.060 3.258 903 HE3 LYS 112 HE1 LYS 112 11.206 3.557 4.074 904 HZ1 LYS 112 HZ1 LYS 112 9.763 3.467 2.348 905 HZ2 LYS 112 HZ2 LYS 112 9.669 5.146 2.168 906 HZ3 LYS 112 HZ3 LYS 112 8.802 4.379 3.401 907 H ASP 113 HN ASP 113 13.568 1.825 7.682 908 HA ASP 113 HA ASP 113 15.183 3.430 9.366 909 HB2 ASP 113 HB2 ASP 113 14.205 0.941 9.592 910 HB3 ASP 113 HB1 ASP 113 15.841 0.557 9.065 911 H ALA 114 HN ALA 114 15.634 2.490 6.186 912 HA ALA 114 HA ALA 114 18.523 2.981 6.417 913 HB1 ALA 114 HB1 ALA 114 19.096 1.135 5.262 914 HB2 ALA 114 HB2 ALA 114 17.668 1.207 4.229 915 HB3 ALA 114 HB3 ALA 114 17.547 0.537 5.856 916 H ASP 115 HN ASP 115 15.761 2.875 4.177 917 HA ASP 115 HA ASP 115 16.909 4.337 2.095 918 HB2 ASP 115 HB2 ASP 115 14.792 3.074 1.900 919 HB3 ASP 115 HB1 ASP 115 13.998 4.269 2.921 920 H2 PRO 59 HT1 PRO 59 -16.418 11.904 -7.014 921 H3 PRO 59 HT2 PRO 59 -16.474 11.371 -8.570 922 HA PRO 59 HA PRO 59 -15.765 9.465 -8.138 923 HB2 PRO 59 HB2 PRO 59 -13.972 9.646 -5.955 924 HB3 PRO 59 HB1 PRO 59 -13.570 9.398 -7.659 925 HG2 PRO 59 HG2 PRO 59 -13.619 11.909 -6.072 926 HG3 PRO 59 HG1 PRO 59 -12.573 11.453 -7.429 927 HD2 PRO 59 HD2 PRO 59 -14.545 13.215 -7.768 928 HD3 PRO 59 HD1 PRO 59 -14.187 12.010 -9.020 929 H GLY 60 HN GLY 60 -15.961 7.821 -6.363 930 HA2 GLY 60 HA2 GLY 60 -17.556 8.831 -4.098 931 HA3 GLY 60 HA1 GLY 60 -18.159 7.510 -5.089 932 H GLU 61 HN GLU 61 -18.146 6.685 -2.720 933 HA GLU 61 HA GLU 61 -16.228 4.647 -2.540 934 HB2 GLU 61 HB2 GLU 61 -14.710 6.471 -1.911 935 HB3 GLU 61 HB1 GLU 61 -15.798 6.935 -0.610 936 HG2 GLU 61 HG2 GLU 61 -15.387 4.340 -0.002 937 HG3 GLU 61 HG1 GLU 61 -13.848 4.744 -0.760 938 H GLU 62 HN GLU 62 -17.959 3.337 -2.110 939 HA GLU 62 HA GLU 62 -19.129 3.622 0.567 940 HB2 GLU 62 HB2 GLU 62 -20.639 4.368 -1.432 941 HB3 GLU 62 HB1 GLU 62 -20.821 2.640 -1.704 942 HG2 GLU 62 HG2 GLU 62 -21.861 2.315 0.378 943 HG3 GLU 62 HG1 GLU 62 -21.370 3.906 0.960 944 H GLU 63 HN GLU 63 -20.234 1.559 1.261 945 HA GLU 63 HA GLU 63 -19.292 -0.868 -0.007 946 HB2 GLU 63 HB2 GLU 63 -17.520 0.124 1.676 947 HB3 GLU 63 HB1 GLU 63 -18.584 -0.583 2.883 948 HG2 GLU 63 HG2 GLU 63 -17.402 -2.440 2.598 949 HG3 GLU 63 HG1 GLU 63 -18.294 -2.627 1.089 950 H ASP 64 HN ASP 64 -20.406 0.088 3.241 951 HA ASP 64 HA ASP 64 -22.877 -1.417 2.795 952 HB2 ASP 64 HB2 ASP 64 -20.845 -1.917 4.946 953 HB3 ASP 64 HB1 ASP 64 -22.549 -2.237 5.254 954 H ASP 65 HN ASP 65 -21.099 0.578 5.153 955 HA ASP 65 HA ASP 65 -22.836 2.721 5.194 956 HB2 ASP 65 HB2 ASP 65 -24.004 2.262 7.426 957 HB3 ASP 65 HB1 ASP 65 -24.638 1.429 6.010 958 H GLU 66 HN GLU 66 -20.443 3.187 5.276 959 HA GLU 66 HA GLU 66 -18.535 3.833 6.359 960 HB2 GLU 66 HB2 GLU 66 -18.920 5.402 8.181 961 HB3 GLU 66 HB1 GLU 66 -20.095 5.653 6.898 962 HG2 GLU 66 HG2 GLU 66 -21.835 4.734 8.151 963 HG3 GLU 66 HG1 GLU 66 -20.730 3.960 9.285 964 H ARG 67 HN ARG 67 -18.884 1.174 6.788 965 HA ARG 67 HA ARG 67 -17.705 0.857 9.405 966 HB2 ARG 67 HB2 ARG 67 -20.156 -0.628 8.492 967 HB3 ARG 67 HB1 ARG 67 -19.130 -1.202 9.800 968 HG2 ARG 67 HG2 ARG 67 -19.742 0.520 11.213 969 HG3 ARG 67 HG1 ARG 67 -20.259 1.562 9.886 970 HD2 ARG 67 HD2 ARG 67 -22.341 0.904 10.318 971 HD3 ARG 67 HD1 ARG 67 -21.889 -0.676 9.680 972 HE ARG 67 HE ARG 67 -22.314 0.030 12.438 973 HH11 ARG 67 HH11 ARG 67 -20.787 -2.222 10.252 974 HH12 ARG 67 HH12 ARG 67 -20.709 -3.496 11.422 975 HH21 ARG 67 HH21 ARG 67 -22.212 -1.645 13.977 976 HH22 ARG 67 HH22 ARG 67 -21.518 -3.169 13.536 977 H GLY 68 HN GLY 68 -18.631 -0.677 6.396 978 HA2 GLY 68 HA2 GLY 68 -16.496 -2.619 6.655 979 HA3 GLY 68 HA1 GLY 68 -17.731 -2.612 5.411 980 H ALA 69 HN ALA 69 -16.298 0.431 5.949 981 HA ALA 69 HA ALA 69 -14.013 0.154 4.281 982 HB1 ALA 69 HB1 ALA 69 -15.491 -0.097 2.462 983 HB2 ALA 69 HB2 ALA 69 -14.945 1.579 2.403 984 HB3 ALA 69 HB3 ALA 69 -16.544 1.194 3.040 985 H ASP 70 HN ASP 70 -14.004 1.254 6.661 986 HA ASP 70 HA ASP 70 -13.065 3.860 6.267 987 HB2 ASP 70 HB2 ASP 70 -15.713 4.026 6.148 988 HB3 ASP 70 HB1 ASP 70 -15.555 4.032 7.902 989 H ALA 71 HN ALA 71 -11.784 1.950 7.472 990 HA ALA 71 HA ALA 71 -11.442 2.906 10.143 991 HB1 ALA 71 HB1 ALA 71 -12.837 1.511 11.178 992 HB2 ALA 71 HB2 ALA 71 -11.715 0.220 10.757 993 HB3 ALA 71 HB3 ALA 71 -13.093 0.567 9.711 994 H THR 72 HN THR 72 -9.601 3.067 8.273 995 HA THR 72 HA THR 72 -7.689 0.948 8.972 996 HB THR 72 HB THR 72 -6.801 1.706 6.528 997 HG1 THR 72 HG1 THR 72 -8.670 1.659 5.197 998 HG21 THR 72 HG21 THR 72 -6.829 -0.541 6.815 999 HG22 THR 72 HG22 THR 72 -8.191 -0.347 5.714 1000 HG23 THR 72 HG23 THR 72 -8.476 -0.557 7.442 1001 H TRP 73 HN TRP 73 -8.294 4.310 8.671 1002 HA TRP 73 HA TRP 73 -5.451 4.954 8.689 1003 HB2 TRP 73 HB2 TRP 73 -7.443 7.123 9.021 1004 HB3 TRP 73 HB1 TRP 73 -5.986 7.072 8.040 1005 HD1 TRP 73 HD1 TRP 73 -9.110 7.923 7.226 1006 HE1 TRP 73 HE1 TRP 73 -10.043 6.928 5.047 1007 HE3 TRP 73 HE3 TRP 73 -5.921 3.993 6.714 1008 HZ2 TRP 73 HZ2 TRP 73 -9.488 4.757 3.340 1009 HZ3 TRP 73 HZ3 TRP 73 -6.176 2.495 4.783 1010 HH2 TRP 73 HH2 TRP 73 -7.933 2.850 3.142 1011 H ASP 74 HN ASP 74 -6.732 3.592 10.986 1012 HA ASP 74 HA ASP 74 -5.846 5.496 13.017 1013 HB2 ASP 74 HB2 ASP 74 -8.472 5.293 12.660 1014 HB3 ASP 74 HB1 ASP 74 -8.257 3.875 13.682 1015 H LEU 75 HN LEU 75 -5.311 2.610 11.719 1016 HA LEU 75 HA LEU 75 -4.526 1.425 14.292 1017 HB2 LEU 75 HB2 LEU 75 -4.676 -0.811 13.098 1018 HB3 LEU 75 HB1 LEU 75 -6.181 -0.044 13.558 1019 HG LEU 75 HG LEU 75 -6.263 -1.097 11.326 1020 HD11 LEU 75 HD11 LEU 75 -7.770 0.427 10.703 1021 HD12 LEU 75 HD12 LEU 75 -6.534 1.675 10.544 1022 HD13 LEU 75 HD13 LEU 75 -7.250 1.345 12.116 1023 HD21 LEU 75 HD21 LEU 75 -4.218 0.988 10.616 1024 HD22 LEU 75 HD22 LEU 75 -5.118 0.031 9.448 1025 HD23 LEU 75 HD23 LEU 75 -4.001 -0.762 10.566 1026 H ASP 76 HN ASP 76 -3.497 2.715 11.400 1027 HA ASP 76 HA ASP 76 -0.938 1.348 11.678 1028 HB2 ASP 76 HB2 ASP 76 -2.617 1.333 9.448 1029 HB3 ASP 76 HB1 ASP 76 -1.312 2.437 9.029 1030 H LEU 77 HN LEU 77 0.303 3.094 9.658 1031 HA LEU 77 HA LEU 77 1.398 5.071 9.492 1032 HB2 LEU 77 HB2 LEU 77 -1.134 5.881 10.829 1033 HB3 LEU 77 HB1 LEU 77 0.194 7.026 10.844 1034 HG LEU 77 HG LEU 77 0.059 6.171 8.196 1035 HD11 LEU 77 HD11 LEU 77 -2.662 6.363 9.427 1036 HD12 LEU 77 HD12 LEU 77 -2.035 5.178 8.282 1037 HD13 LEU 77 HD13 LEU 77 -2.393 6.818 7.744 1038 HD21 LEU 77 HD21 LEU 77 0.529 8.375 8.375 1039 HD22 LEU 77 HD22 LEU 77 -0.558 8.607 9.745 1040 HD23 LEU 77 HD23 LEU 77 -1.207 8.532 8.107 1041 H LEU 78 HN LEU 78 2.999 3.913 10.790 1042 HA LEU 78 HA LEU 78 4.085 5.496 12.804 1043 HB2 LEU 78 HB2 LEU 78 3.823 3.815 14.706 1044 HB3 LEU 78 HB1 LEU 78 2.463 4.860 14.344 1045 HG LEU 78 HG LEU 78 1.874 2.692 12.805 1046 HD11 LEU 78 HD11 LEU 78 2.209 0.917 14.830 1047 HD12 LEU 78 HD12 LEU 78 3.716 1.830 14.915 1048 HD13 LEU 78 HD13 LEU 78 3.251 1.032 13.413 1049 HD21 LEU 78 HD21 LEU 78 0.685 4.061 14.772 1050 HD22 LEU 78 HD22 LEU 78 0.996 2.547 15.622 1051 HD23 LEU 78 HD23 LEU 78 0.049 2.545 14.134 1052 H LEU 79 HN LEU 79 5.618 4.880 11.026 1053 HA LEU 79 HA LEU 79 7.004 2.371 11.709 1054 HB2 LEU 79 HB2 LEU 79 7.428 3.566 9.030 1055 HB3 LEU 79 HB1 LEU 79 7.389 1.883 9.516 1056 HG LEU 79 HG LEU 79 4.830 2.290 9.813 1057 HD11 LEU 79 HD11 LEU 79 5.750 4.712 8.376 1058 HD12 LEU 79 HD12 LEU 79 4.399 4.495 9.490 1059 HD13 LEU 79 HD13 LEU 79 4.260 3.951 7.818 1060 HD21 LEU 79 HD21 LEU 79 5.582 0.738 8.210 1061 HD22 LEU 79 HD22 LEU 79 6.291 1.999 7.203 1062 HD23 LEU 79 HD23 LEU 79 4.538 1.853 7.329 1063 H THR 80 HN THR 80 9.107 2.499 12.228 1064 HA THR 80 HA THR 80 11.067 3.444 12.906 1065 HB THR 80 HB THR 80 12.324 4.550 11.210 1066 HG1 THR 80 HG1 THR 80 9.930 5.041 9.785 1067 HG21 THR 80 HG21 THR 80 10.399 2.889 9.620 1068 HG22 THR 80 HG22 THR 80 11.602 2.186 10.700 1069 HG23 THR 80 HG23 THR 80 12.117 3.164 9.325 1070 H ASN 81 HN ASN 81 10.418 4.562 14.730 1071 HA ASN 81 HA ASN 81 9.193 7.113 14.680 1072 HB2 ASN 81 HB2 ASN 81 10.581 5.490 16.789 1073 HB3 ASN 81 HB1 ASN 81 10.125 7.159 17.119 1074 HD21 ASN 81 HD21 ASN 81 8.958 5.630 18.760 1075 HD22 ASN 81 HD22 ASN 81 7.326 5.248 18.341 1076 H PHE 82 HN PHE 82 12.399 6.443 16.063 1077 HA PHE 82 HA PHE 82 13.644 8.479 14.438 1078 HB2 PHE 82 HB2 PHE 82 13.065 8.897 17.356 1079 HB3 PHE 82 HB1 PHE 82 14.473 9.644 16.608 1080 HD1 PHE 82 HD2 PHE 82 14.050 11.074 14.510 1081 HD2 PHE 82 HD1 PHE 82 11.003 9.940 17.256 1082 HE1 PHE 82 HE2 PHE 82 12.642 12.925 13.706 1083 HE2 PHE 82 HE1 PHE 82 9.589 11.789 16.456 1084 HZ PHE 82 HZ PHE 82 10.408 13.284 14.679 1085 H SER 83 HN SER 83 14.095 5.726 14.682 1086 HA SER 83 HA SER 83 16.114 4.998 16.477 1087 HB2 SER 83 HB2 SER 83 16.465 3.081 15.097 1088 HB3 SER 83 HB1 SER 83 14.745 3.458 14.997 1089 HG SER 83 HG SER 83 15.373 4.679 13.034 1090 H GLY 84 HN GLY 84 17.999 6.007 16.711 1091 HA2 GLY 84 HA2 GLY 84 20.249 6.229 15.832 1092 HA3 GLY 84 HA1 GLY 84 19.542 6.621 14.272 1093 HA PRO 85 HA PRO 85 20.341 10.467 17.045 1094 HB2 PRO 85 HB2 PRO 85 22.799 11.224 16.179 1095 HB3 PRO 85 HB1 PRO 85 22.558 10.164 17.573 1096 HG2 PRO 85 HG2 PRO 85 23.264 9.453 14.752 1097 HG3 PRO 85 HG1 PRO 85 23.930 8.815 16.267 1098 HD2 PRO 85 HD2 PRO 85 22.065 7.486 14.821 1099 HD3 PRO 85 HD1 PRO 85 22.153 7.383 16.591 Start of MODEL 19 1 H2 PRO 1 HT1 PRO 1 -0.224 -18.726 3.939 2 H3 PRO 1 HT2 PRO 1 -1.299 -19.970 3.960 3 HA PRO 1 HA PRO 1 -2.606 -18.400 4.423 4 HB2 PRO 1 HB2 PRO 1 -2.405 -18.346 7.176 5 HB3 PRO 1 HB1 PRO 1 -3.193 -19.625 6.243 6 HG2 PRO 1 HG2 PRO 1 -0.791 -19.821 7.768 7 HG3 PRO 1 HG1 PRO 1 -1.531 -21.068 6.752 8 HD2 PRO 1 HD2 PRO 1 0.684 -19.169 6.113 9 HD3 PRO 1 HD1 PRO 1 0.411 -20.822 5.528 10 H SER 2 HN SER 2 -0.105 -17.132 3.791 11 HA SER 2 HA SER 2 -0.573 -14.580 5.046 12 HB2 SER 2 HB2 SER 2 2.220 -15.697 5.259 13 HB3 SER 2 HB1 SER 2 1.554 -14.262 6.038 14 HG SER 2 HG SER 2 1.542 -16.832 6.880 15 H HIS 3 HN HIS 3 0.860 -12.873 4.100 16 HA HIS 3 HA HIS 3 1.736 -11.768 2.324 17 HB2 HIS 3 HB2 HIS 3 2.554 -14.531 1.425 18 HB3 HIS 3 HB1 HIS 3 3.073 -13.038 0.652 19 HD1 HIS 3 HD1 HIS 3 3.009 -14.045 4.327 20 HD2 HIS 3 HD2 HIS 3 5.635 -12.670 1.415 21 HE1 HIS 3 HE1 HIS 3 5.207 -13.718 5.504 22 HE2 HIS 3 HE2 HIS 3 6.801 -12.966 3.704 23 H SER 4 HN SER 4 0.521 -14.752 0.878 24 HA SER 4 HA SER 4 -0.716 -13.307 -1.260 25 HB2 SER 4 HB2 SER 4 -1.252 -16.195 -0.584 26 HB3 SER 4 HB1 SER 4 -1.393 -15.394 -2.153 27 HG SER 4 HG SER 4 0.964 -16.038 -0.714 28 H GLY 5 HN GLY 5 -2.710 -12.613 -1.451 29 HA2 GLY 5 HA2 GLY 5 -4.914 -13.658 0.059 30 HA3 GLY 5 HA1 GLY 5 -4.387 -12.078 0.631 31 H ALA 6 HN ALA 6 -6.829 -11.916 -0.194 32 HA ALA 6 HA ALA 6 -6.747 -11.211 -3.042 33 HB1 ALA 6 HB1 ALA 6 -8.495 -12.750 -2.609 34 HB2 ALA 6 HB2 ALA 6 -9.245 -11.173 -2.864 35 HB3 ALA 6 HB3 ALA 6 -9.070 -11.812 -1.229 36 H ALA 7 HN ALA 7 -7.198 -9.223 -3.765 37 HA ALA 7 HA ALA 7 -8.084 -7.141 -1.941 38 HB1 ALA 7 HB1 ALA 7 -6.216 -5.794 -2.042 39 HB2 ALA 7 HB2 ALA 7 -5.614 -6.562 -3.510 40 HB3 ALA 7 HB3 ALA 7 -5.485 -7.397 -1.962 41 H ILE 8 HN ILE 8 -8.748 -5.184 -3.057 42 HA ILE 8 HA ILE 8 -9.081 -5.588 -5.952 43 HB ILE 8 HB ILE 8 -11.207 -4.541 -4.085 44 HG12 ILE 8 HG12 ILE 8 -11.636 -6.929 -5.780 45 HG13 ILE 8 HG11 ILE 8 -10.541 -7.134 -4.416 46 HG21 ILE 8 HG21 ILE 8 -12.476 -4.974 -6.400 47 HG22 ILE 8 HG22 ILE 8 -10.876 -4.570 -7.022 48 HG23 ILE 8 HG23 ILE 8 -11.737 -3.424 -5.993 49 HD11 ILE 8 HD11 ILE 8 -12.529 -7.709 -3.459 50 HD12 ILE 8 HD12 ILE 8 -13.457 -6.576 -4.442 51 HD13 ILE 8 HD13 ILE 8 -12.488 -5.984 -3.093 52 H PHE 9 HN PHE 9 -9.061 -3.810 -7.240 53 HA PHE 9 HA PHE 9 -8.771 -1.169 -6.052 54 HB2 PHE 9 HB2 PHE 9 -6.476 -1.958 -6.115 55 HB3 PHE 9 HB1 PHE 9 -6.653 -2.437 -7.800 56 HD1 PHE 9 HD2 PHE 9 -6.945 -0.702 -9.539 57 HD2 PHE 9 HD1 PHE 9 -5.944 0.261 -5.520 58 HE1 PHE 9 HE2 PHE 9 -6.179 1.525 -10.267 59 HE2 PHE 9 HE1 PHE 9 -5.183 2.490 -6.233 60 HZ PHE 9 HZ PHE 9 -5.297 3.123 -8.612 61 H GLU 10 HN GLU 10 -9.358 0.499 -7.430 62 HA GLU 10 HA GLU 10 -10.658 1.433 -9.046 63 HB2 GLU 10 HB2 GLU 10 -8.457 0.030 -10.386 64 HB3 GLU 10 HB1 GLU 10 -9.822 0.392 -11.430 65 HG2 GLU 10 HG2 GLU 10 -9.697 2.742 -10.762 66 HG3 GLU 10 HG1 GLU 10 -8.296 2.369 -9.757 67 H LYS 11 HN LYS 11 -11.783 -0.885 -7.842 68 HA LYS 11 HA LYS 11 -13.659 -2.148 -8.057 69 HB2 LYS 11 HB2 LYS 11 -14.091 -1.344 -10.896 70 HB3 LYS 11 HB1 LYS 11 -15.259 -1.549 -9.599 71 HG2 LYS 11 HG2 LYS 11 -14.104 0.554 -8.590 72 HG3 LYS 11 HG1 LYS 11 -13.538 0.804 -10.243 73 HD2 LYS 11 HD2 LYS 11 -16.433 0.381 -9.512 74 HD3 LYS 11 HD1 LYS 11 -15.685 1.973 -9.662 75 HE2 LYS 11 HE2 LYS 11 -15.324 0.091 -11.921 76 HE3 LYS 11 HE1 LYS 11 -16.938 0.762 -11.686 77 HZ1 LYS 11 HZ1 LYS 11 -15.174 1.992 -13.143 78 HZ2 LYS 11 HZ2 LYS 11 -14.642 2.586 -11.652 79 HZ3 LYS 11 HZ3 LYS 11 -16.232 2.867 -12.154 80 H VAL 12 HN VAL 12 -10.901 -2.949 -9.166 81 HA VAL 12 HA VAL 12 -11.877 -5.245 -10.744 82 HB VAL 12 HB VAL 12 -9.059 -4.183 -10.871 83 HG11 VAL 12 HG11 VAL 12 -9.541 -5.401 -13.227 84 HG12 VAL 12 HG12 VAL 12 -10.596 -6.337 -12.168 85 HG13 VAL 12 HG13 VAL 12 -8.871 -6.222 -11.817 86 HG21 VAL 12 HG21 VAL 12 -11.497 -3.237 -12.260 87 HG22 VAL 12 HG22 VAL 12 -10.040 -3.425 -13.237 88 HG23 VAL 12 HG23 VAL 12 -10.026 -2.365 -11.828 89 H SER 13 HN SER 13 -11.769 -7.095 -9.644 90 HA SER 13 HA SER 13 -10.159 -7.223 -7.248 91 HB2 SER 13 HB2 SER 13 -11.264 -9.384 -6.856 92 HB3 SER 13 HB1 SER 13 -12.435 -8.105 -7.177 93 HG SER 13 HG SER 13 -12.724 -10.180 -8.323 94 H GLY 14 HN GLY 14 -8.670 -8.798 -6.752 95 HA2 GLY 14 HA2 GLY 14 -7.643 -10.653 -8.674 96 HA3 GLY 14 HA1 GLY 14 -6.623 -9.227 -8.517 97 H ILE 15 HN ILE 15 -5.244 -11.281 -7.828 98 HA ILE 15 HA ILE 15 -5.589 -11.656 -4.926 99 HB ILE 15 HB ILE 15 -3.694 -13.308 -6.565 100 HG12 ILE 15 HG12 ILE 15 -5.829 -14.949 -6.422 101 HG13 ILE 15 HG11 ILE 15 -6.661 -13.407 -6.589 102 HG21 ILE 15 HG21 ILE 15 -4.590 -14.984 -4.750 103 HG22 ILE 15 HG22 ILE 15 -5.044 -13.500 -3.912 104 HG23 ILE 15 HG23 ILE 15 -3.355 -13.792 -4.340 105 HD11 ILE 15 HD11 ILE 15 -5.163 -14.955 -8.550 106 HD12 ILE 15 HD12 ILE 15 -4.757 -13.239 -8.533 107 HD13 ILE 15 HD13 ILE 15 -6.428 -13.748 -8.777 108 H ILE 16 HN ILE 16 -4.118 -10.929 -3.567 109 HA ILE 16 HA ILE 16 -1.826 -9.479 -4.671 110 HB ILE 16 HB ILE 16 -3.362 -8.118 -3.407 111 HG12 ILE 16 HG12 ILE 16 -1.114 -8.471 -1.468 112 HG13 ILE 16 HG11 ILE 16 -0.760 -7.959 -3.117 113 HG21 ILE 16 HG21 ILE 16 -2.975 -10.118 -1.197 114 HG22 ILE 16 HG22 ILE 16 -4.468 -9.725 -2.051 115 HG23 ILE 16 HG23 ILE 16 -3.724 -8.538 -0.978 116 HD11 ILE 16 HD11 ILE 16 -2.763 -6.269 -2.509 117 HD12 ILE 16 HD12 ILE 16 -1.053 -5.910 -2.255 118 HD13 ILE 16 HD13 ILE 16 -2.039 -6.499 -0.914 119 H ALA 17 HN ALA 17 0.162 -10.356 -4.405 120 HA ALA 17 HA ALA 17 0.617 -12.100 -2.070 121 HB1 ALA 17 HB1 ALA 17 0.279 -13.383 -4.196 122 HB2 ALA 17 HB2 ALA 17 1.818 -13.674 -3.385 123 HB3 ALA 17 HB3 ALA 17 1.753 -12.628 -4.805 124 H ILE 18 HN ILE 18 2.510 -11.846 -1.000 125 HA ILE 18 HA ILE 18 4.245 -9.651 -1.863 126 HB ILE 18 HB ILE 18 4.601 -11.106 0.726 127 HG12 ILE 18 HG12 ILE 18 2.248 -10.703 0.780 128 HG13 ILE 18 HG11 ILE 18 3.001 -9.442 1.750 129 HG21 ILE 18 HG21 ILE 18 5.731 -9.247 1.399 130 HG22 ILE 18 HG22 ILE 18 4.759 -8.160 0.408 131 HG23 ILE 18 HG23 ILE 18 6.018 -9.144 -0.338 132 HD11 ILE 18 HD11 ILE 18 1.713 -9.241 -0.936 133 HD12 ILE 18 HD12 ILE 18 2.890 -8.039 -0.407 134 HD13 ILE 18 HD13 ILE 18 1.416 -8.298 0.524 135 H ASN 19 HN ASN 19 5.749 -10.346 -3.270 136 HA ASN 19 HA ASN 19 6.984 -12.941 -3.084 137 HB2 ASN 19 HB2 ASN 19 7.137 -10.612 -4.929 138 HB3 ASN 19 HB1 ASN 19 8.516 -11.707 -4.887 139 HD21 ASN 19 HD21 ASN 19 8.341 -12.801 -6.728 140 HD22 ASN 19 HD22 ASN 19 6.954 -13.705 -7.223 141 H GLU 20 HN GLU 20 8.415 -13.373 -1.583 142 HA GLU 20 HA GLU 20 10.384 -11.307 -0.880 143 HB2 GLU 20 HB2 GLU 20 8.739 -12.357 0.892 144 HB3 GLU 20 HB1 GLU 20 9.882 -13.692 0.857 145 HG2 GLU 20 HG2 GLU 20 11.661 -11.855 1.254 146 HG3 GLU 20 HG1 GLU 20 10.288 -10.882 1.778 147 H ASP 21 HN ASP 21 10.437 -13.112 -3.125 148 HA ASP 21 HA ASP 21 12.699 -14.861 -2.441 149 HB2 ASP 21 HB2 ASP 21 10.463 -15.522 -3.794 150 HB3 ASP 21 HB1 ASP 21 11.478 -15.009 -5.139 151 H VAL 22 HN VAL 22 11.837 -11.989 -4.122 152 HA VAL 22 HA VAL 22 14.359 -12.001 -5.627 153 HB VAL 22 HB VAL 22 13.099 -9.620 -6.257 154 HG11 VAL 22 HG11 VAL 22 14.188 -11.606 -7.617 155 HG12 VAL 22 HG12 VAL 22 13.120 -10.432 -8.385 156 HG13 VAL 22 HG13 VAL 22 12.497 -12.011 -7.908 157 HG21 VAL 22 HG21 VAL 22 10.800 -10.167 -6.820 158 HG22 VAL 22 HG22 VAL 22 11.065 -10.340 -5.085 159 HG23 VAL 22 HG23 VAL 22 10.990 -11.771 -6.113 160 H SER 23 HN SER 23 15.515 -9.822 -5.717 161 HA SER 23 HA SER 23 16.536 -9.162 -3.250 162 HB2 SER 23 HB2 SER 23 16.594 -7.919 -5.921 163 HB3 SER 23 HB1 SER 23 16.919 -6.821 -4.580 164 HG SER 23 HG SER 23 18.226 -9.315 -4.893 165 HA PRO 24 HA PRO 24 13.620 -5.484 -2.624 166 HB2 PRO 24 HB2 PRO 24 12.027 -4.565 -4.557 167 HB3 PRO 24 HB1 PRO 24 13.747 -4.139 -4.515 168 HG2 PRO 24 HG2 PRO 24 12.344 -6.181 -6.194 169 HG3 PRO 24 HG1 PRO 24 13.634 -5.054 -6.650 170 HD2 PRO 24 HD2 PRO 24 14.040 -7.707 -6.022 171 HD3 PRO 24 HD1 PRO 24 15.276 -6.443 -5.883 172 H ALA 25 HN ALA 25 12.612 -7.197 -1.419 173 HA ALA 25 HA ALA 25 10.648 -8.936 -2.166 174 HB1 ALA 25 HB1 ALA 25 9.638 -8.282 0.205 175 HB2 ALA 25 HB2 ALA 25 11.216 -7.509 0.363 176 HB3 ALA 25 HB3 ALA 25 11.108 -9.238 0.031 177 H GLU 26 HN GLU 26 9.293 -8.262 -3.689 178 HA GLU 26 HA GLU 26 7.532 -5.995 -3.076 179 HB2 GLU 26 HB2 GLU 26 7.189 -5.988 -5.607 180 HB3 GLU 26 HB1 GLU 26 8.745 -5.428 -4.986 181 HG2 GLU 26 HG2 GLU 26 9.869 -7.086 -5.982 182 HG3 GLU 26 HG1 GLU 26 8.642 -8.292 -5.598 183 H LEU 27 HN LEU 27 5.351 -6.165 -4.267 184 HA LEU 27 HA LEU 27 4.369 -8.904 -4.168 185 HB2 LEU 27 HB2 LEU 27 2.400 -8.204 -2.956 186 HB3 LEU 27 HB1 LEU 27 3.836 -7.762 -2.053 187 HG LEU 27 HG LEU 27 3.434 -5.466 -3.405 188 HD11 LEU 27 HD11 LEU 27 1.417 -6.282 -4.505 189 HD12 LEU 27 HD12 LEU 27 1.049 -4.952 -3.408 190 HD13 LEU 27 HD13 LEU 27 0.685 -6.611 -2.934 191 HD21 LEU 27 HD21 LEU 27 2.454 -4.595 -1.368 192 HD22 LEU 27 HD22 LEU 27 3.732 -5.747 -0.979 193 HD23 LEU 27 HD23 LEU 27 2.040 -6.227 -0.841 194 H THR 28 HN THR 28 2.990 -9.445 -5.777 195 HA THR 28 HA THR 28 2.198 -7.255 -7.558 196 HB THR 28 HB THR 28 3.540 -9.712 -8.089 197 HG1 THR 28 HG1 THR 28 2.713 -7.827 -9.990 198 HG21 THR 28 HG21 THR 28 1.121 -9.326 -9.813 199 HG22 THR 28 HG22 THR 28 1.273 -10.597 -8.598 200 HG23 THR 28 HG23 THR 28 2.370 -10.559 -9.979 201 H TRP 29 HN TRP 29 0.200 -7.240 -8.483 202 HA TRP 29 HA TRP 29 -1.796 -8.938 -7.135 203 HB2 TRP 29 HB2 TRP 29 -1.817 -6.625 -6.326 204 HB3 TRP 29 HB1 TRP 29 -2.025 -6.045 -7.974 205 HD1 TRP 29 HD1 TRP 29 -3.926 -7.691 -5.117 206 HE1 TRP 29 HE1 TRP 29 -6.441 -7.540 -5.610 207 HE3 TRP 29 HE3 TRP 29 -3.693 -5.929 -9.911 208 HZ2 TRP 29 HZ2 TRP 29 -8.110 -6.777 -7.744 209 HZ3 TRP 29 HZ3 TRP 29 -5.816 -5.520 -11.107 210 HH2 TRP 29 HH2 TRP 29 -7.969 -5.937 -10.047 211 H ARG 30 HN ARG 30 -2.527 -10.364 -8.599 212 HA ARG 30 HA ARG 30 -2.942 -9.459 -11.363 213 HB2 ARG 30 HB2 ARG 30 -1.517 -11.463 -11.010 214 HB3 ARG 30 HB1 ARG 30 -2.890 -12.279 -10.275 215 HG2 ARG 30 HG2 ARG 30 -3.964 -11.518 -12.638 216 HG3 ARG 30 HG1 ARG 30 -2.280 -11.773 -13.101 217 HD2 ARG 30 HD2 ARG 30 -2.738 -13.967 -11.574 218 HD3 ARG 30 HD1 ARG 30 -4.335 -13.708 -12.275 219 HE ARG 30 HE ARG 30 -3.513 -14.479 -14.251 220 HH11 ARG 30 HH11 ARG 30 -0.829 -13.343 -12.332 221 HH12 ARG 30 HH12 ARG 30 0.367 -13.854 -13.476 222 HH21 ARG 30 HH21 ARG 30 -1.942 -15.153 -15.756 223 HH22 ARG 30 HH22 ARG 30 -0.265 -14.881 -15.420 224 H SER 31 HN SER 31 -4.950 -8.983 -11.992 225 HA SER 31 HA SER 31 -7.197 -9.100 -10.412 226 HB2 SER 31 HB2 SER 31 -8.477 -9.031 -12.639 227 HB3 SER 31 HB1 SER 31 -7.321 -7.736 -12.330 228 HG SER 31 HG SER 31 -6.633 -10.077 -13.760 229 H THR 32 HN THR 32 -9.035 -10.451 -10.332 230 HA THR 32 HA THR 32 -8.543 -13.174 -10.143 231 HB THR 32 HB THR 32 -11.062 -13.401 -10.134 232 HG1 THR 32 HG1 THR 32 -11.006 -10.576 -10.295 233 HG21 THR 32 HG21 THR 32 -11.051 -12.915 -7.976 234 HG22 THR 32 HG22 THR 32 -10.782 -11.201 -8.292 235 HG23 THR 32 HG23 THR 32 -9.411 -12.307 -8.201 236 H ASP 33 HN ASP 33 -10.124 -11.381 -12.714 237 HA ASP 33 HA ASP 33 -10.627 -13.632 -14.355 238 HB2 ASP 33 HB2 ASP 33 -11.558 -11.116 -14.375 239 HB3 ASP 33 HB1 ASP 33 -10.324 -10.967 -15.624 240 H GLY 34 HN GLY 34 -7.868 -11.646 -13.829 241 HA2 GLY 34 HA2 GLY 34 -5.681 -12.122 -14.490 242 HA3 GLY 34 HA1 GLY 34 -6.308 -13.313 -15.620 243 H ASP 35 HN ASP 35 -7.781 -10.215 -15.705 244 HA ASP 35 HA ASP 35 -6.744 -9.776 -18.346 245 HB2 ASP 35 HB2 ASP 35 -8.913 -8.569 -16.692 246 HB3 ASP 35 HB1 ASP 35 -8.281 -7.652 -18.056 247 H LYS 36 HN LYS 36 -6.225 -8.565 -15.158 248 HA LYS 36 HA LYS 36 -4.145 -6.795 -16.204 249 HB2 LYS 36 HB2 LYS 36 -4.771 -4.982 -14.772 250 HB3 LYS 36 HB1 LYS 36 -6.165 -5.440 -15.737 251 HG2 LYS 36 HG2 LYS 36 -7.185 -6.527 -13.886 252 HG3 LYS 36 HG1 LYS 36 -5.721 -6.363 -12.913 253 HD2 LYS 36 HD2 LYS 36 -7.350 -4.062 -13.976 254 HD3 LYS 36 HD1 LYS 36 -7.472 -4.705 -12.337 255 HE2 LYS 36 HE2 LYS 36 -5.940 -3.132 -11.857 256 HE3 LYS 36 HE1 LYS 36 -4.801 -4.294 -12.535 257 HZ1 LYS 36 HZ1 LYS 36 -4.481 -3.046 -14.361 258 HZ2 LYS 36 HZ2 LYS 36 -5.014 -1.781 -13.373 259 HZ3 LYS 36 HZ3 LYS 36 -6.090 -2.527 -14.444 260 H VAL 37 HN VAL 37 -2.452 -6.320 -14.748 261 HA VAL 37 HA VAL 37 -2.383 -7.771 -12.224 262 HB VAL 37 HB VAL 37 -0.148 -8.109 -14.220 263 HG11 VAL 37 HG11 VAL 37 0.667 -8.399 -12.032 264 HG12 VAL 37 HG12 VAL 37 0.385 -10.029 -12.644 265 HG13 VAL 37 HG13 VAL 37 -0.767 -9.294 -11.530 266 HG21 VAL 37 HG21 VAL 37 -2.516 -9.874 -13.664 267 HG22 VAL 37 HG22 VAL 37 -1.018 -10.493 -14.359 268 HG23 VAL 37 HG23 VAL 37 -1.945 -9.261 -15.216 269 H HIS 38 HN HIS 38 -1.698 -6.357 -10.740 270 HA HIS 38 HA HIS 38 0.116 -4.210 -11.600 271 HB2 HIS 38 HB2 HIS 38 -2.027 -4.351 -9.510 272 HB3 HIS 38 HB1 HIS 38 -0.713 -3.192 -9.337 273 HD1 HIS 38 HD1 HIS 38 -3.260 -1.836 -9.587 274 HD2 HIS 38 HD2 HIS 38 -1.239 -3.164 -12.966 275 HE1 HIS 38 HE1 HIS 38 -4.166 -0.469 -11.493 276 HE2 HIS 38 HE2 HIS 38 -2.866 -1.229 -13.512 277 H THR 39 HN THR 39 2.127 -4.668 -11.153 278 HA THR 39 HA THR 39 2.888 -6.258 -8.802 279 HB THR 39 HB THR 39 4.644 -5.075 -10.971 280 HG1 THR 39 HG1 THR 39 4.296 -6.821 -12.147 281 HG21 THR 39 HG21 THR 39 6.333 -5.908 -9.826 282 HG22 THR 39 HG22 THR 39 5.649 -7.518 -10.054 283 HG23 THR 39 HG23 THR 39 5.236 -6.579 -8.619 284 H VAL 40 HN VAL 40 2.961 -5.072 -6.977 285 HA VAL 40 HA VAL 40 3.976 -2.327 -7.073 286 HB VAL 40 HB VAL 40 2.813 -3.778 -4.693 287 HG11 VAL 40 HG11 VAL 40 4.258 -1.501 -4.719 288 HG12 VAL 40 HG12 VAL 40 2.989 -1.848 -3.543 289 HG13 VAL 40 HG13 VAL 40 2.635 -0.851 -4.955 290 HG21 VAL 40 HG21 VAL 40 1.502 -2.607 -7.031 291 HG22 VAL 40 HG22 VAL 40 0.906 -1.982 -5.494 292 HG23 VAL 40 HG23 VAL 40 0.870 -3.715 -5.814 293 H VAL 41 HN VAL 41 6.139 -2.141 -6.867 294 HA VAL 41 HA VAL 41 7.603 -4.191 -5.478 295 HB VAL 41 HB VAL 41 8.856 -1.692 -6.552 296 HG11 VAL 41 HG11 VAL 41 9.908 -3.752 -5.103 297 HG12 VAL 41 HG12 VAL 41 10.825 -2.746 -6.226 298 HG13 VAL 41 HG13 VAL 41 10.195 -4.304 -6.754 299 HG21 VAL 41 HG21 VAL 41 7.641 -3.939 -8.022 300 HG22 VAL 41 HG22 VAL 41 9.272 -3.493 -8.523 301 HG23 VAL 41 HG23 VAL 41 7.982 -2.291 -8.548 302 H LEU 42 HN LEU 42 7.270 -4.122 -3.370 303 HA LEU 42 HA LEU 42 6.910 -2.030 -1.656 304 HB2 LEU 42 HB2 LEU 42 8.382 -4.618 -1.296 305 HB3 LEU 42 HB1 LEU 42 8.093 -3.521 0.039 306 HG LEU 42 HG LEU 42 5.716 -4.316 -1.545 307 HD11 LEU 42 HD11 LEU 42 7.336 -6.232 0.084 308 HD12 LEU 42 HD12 LEU 42 6.533 -6.482 -1.467 309 HD13 LEU 42 HD13 LEU 42 5.580 -6.379 0.012 310 HD21 LEU 42 HD21 LEU 42 4.904 -3.170 0.192 311 HD22 LEU 42 HD22 LEU 42 6.392 -3.344 1.122 312 HD23 LEU 42 HD23 LEU 42 5.194 -4.638 1.125 313 H SER 43 HN SER 43 9.818 -2.943 -3.295 314 HA SER 43 HA SER 43 11.726 -1.752 -1.619 315 HB2 SER 43 HB2 SER 43 12.838 -2.965 -3.198 316 HB3 SER 43 HB1 SER 43 11.640 -2.628 -4.445 317 HG SER 43 HG SER 43 12.837 -1.044 -5.116 318 H THR 44 HN THR 44 9.872 -0.508 -4.312 319 HA THR 44 HA THR 44 10.898 2.157 -4.037 320 HB THR 44 HB THR 44 8.841 2.558 -5.619 321 HG1 THR 44 HG1 THR 44 7.744 0.723 -5.606 322 HG21 THR 44 HG21 THR 44 11.246 0.967 -6.449 323 HG22 THR 44 HG22 THR 44 11.054 2.720 -6.488 324 HG23 THR 44 HG23 THR 44 10.104 1.705 -7.573 325 H ILE 45 HN ILE 45 8.333 0.240 -2.720 326 HA ILE 45 HA ILE 45 6.699 2.475 -1.924 327 HB ILE 45 HB ILE 45 6.567 -0.261 -0.681 328 HG12 ILE 45 HG12 ILE 45 6.542 -0.659 -3.061 329 HG13 ILE 45 HG11 ILE 45 4.901 -0.824 -2.455 330 HG21 ILE 45 HG21 ILE 45 4.443 0.304 -0.015 331 HG22 ILE 45 HG22 ILE 45 4.230 1.479 -1.314 332 HG23 ILE 45 HG23 ILE 45 5.248 1.871 0.073 333 HD11 ILE 45 HD11 ILE 45 4.491 0.418 -4.301 334 HD12 ILE 45 HD12 ILE 45 6.066 1.209 -4.258 335 HD13 ILE 45 HD13 ILE 45 4.790 1.724 -3.155 336 H ASP 46 HN ASP 46 6.826 3.667 -0.120 337 HA ASP 46 HA ASP 46 8.758 2.819 1.937 338 HB2 ASP 46 HB2 ASP 46 9.494 4.792 0.641 339 HB3 ASP 46 HB1 ASP 46 8.034 5.645 1.133 340 H LYS 47 HN LYS 47 5.531 3.909 1.310 341 HA LYS 47 HA LYS 47 5.025 3.998 4.211 342 HB2 LYS 47 HB2 LYS 47 4.228 5.782 2.056 343 HB3 LYS 47 HB1 LYS 47 2.847 5.217 2.985 344 HG2 LYS 47 HG2 LYS 47 3.396 7.075 4.177 345 HG3 LYS 47 HG1 LYS 47 4.373 5.874 5.025 346 HD2 LYS 47 HD2 LYS 47 5.785 7.739 4.638 347 HD3 LYS 47 HD1 LYS 47 6.268 6.498 3.479 348 HE2 LYS 47 HE2 LYS 47 6.129 8.193 2.002 349 HE3 LYS 47 HE1 LYS 47 4.408 7.810 2.034 350 HZ1 LYS 47 HZ1 LYS 47 5.709 9.856 3.749 351 HZ2 LYS 47 HZ2 LYS 47 4.051 9.540 3.639 352 HZ3 LYS 47 HZ3 LYS 47 4.876 10.194 2.315 353 H LEU 48 HN LEU 48 3.149 3.022 5.013 354 HA LEU 48 HA LEU 48 1.439 1.502 3.248 355 HB2 LEU 48 HB2 LEU 48 3.182 -0.098 3.420 356 HB3 LEU 48 HB1 LEU 48 3.379 0.191 5.137 357 HG LEU 48 HG LEU 48 0.823 -0.699 5.104 358 HD11 LEU 48 HD11 LEU 48 1.316 -2.854 3.545 359 HD12 LEU 48 HD12 LEU 48 2.067 -1.571 2.595 360 HD13 LEU 48 HD13 LEU 48 0.366 -1.455 3.046 361 HD21 LEU 48 HD21 LEU 48 2.395 -1.590 6.609 362 HD22 LEU 48 HD22 LEU 48 3.411 -2.209 5.307 363 HD23 LEU 48 HD23 LEU 48 1.848 -2.957 5.638 364 H GLN 49 HN GLN 49 -0.539 1.048 4.156 365 HA GLN 49 HA GLN 49 -0.885 1.426 7.027 366 HB2 GLN 49 HB2 GLN 49 -2.786 2.867 5.211 367 HB3 GLN 49 HB1 GLN 49 -2.477 3.121 6.924 368 HG2 GLN 49 HG2 GLN 49 -1.402 4.931 6.124 369 HG3 GLN 49 HG1 GLN 49 -0.077 3.777 5.992 370 HE21 GLN 49 HE21 GLN 49 0.962 3.874 4.145 371 HE22 GLN 49 HE22 GLN 49 0.294 4.317 2.615 372 H ALA 50 HN ALA 50 -2.948 0.678 7.817 373 HA ALA 50 HA ALA 50 -4.547 -0.963 6.023 374 HB1 ALA 50 HB1 ALA 50 -2.755 -2.458 6.736 375 HB2 ALA 50 HB2 ALA 50 -4.309 -2.964 7.400 376 HB3 ALA 50 HB3 ALA 50 -3.144 -2.122 8.421 377 H THR 51 HN THR 51 -6.502 -1.888 7.208 378 HA THR 51 HA THR 51 -7.636 0.213 8.795 379 HB THR 51 HB THR 51 -9.632 -1.298 8.906 380 HG1 THR 51 HG1 THR 51 -8.196 -2.938 7.117 381 HG21 THR 51 HG21 THR 51 -9.782 -1.465 6.274 382 HG22 THR 51 HG22 THR 51 -8.408 -0.362 6.385 383 HG23 THR 51 HG23 THR 51 -9.946 0.059 7.140 384 HA PRO 52 HA PRO 52 -6.617 -1.684 12.725 385 HB2 PRO 52 HB2 PRO 52 -6.977 0.455 14.217 386 HB3 PRO 52 HB1 PRO 52 -5.727 0.474 12.965 387 HG2 PRO 52 HG2 PRO 52 -8.436 1.725 12.956 388 HG3 PRO 52 HG1 PRO 52 -6.918 2.338 12.286 389 HD2 PRO 52 HD2 PRO 52 -8.962 0.972 10.882 390 HD3 PRO 52 HD1 PRO 52 -7.342 1.365 10.279 391 H ALA 53 HN ALA 53 -7.667 -1.993 14.846 392 HA ALA 53 HA ALA 53 -10.186 -3.054 14.773 393 HB1 ALA 53 HB1 ALA 53 -8.870 -3.565 16.639 394 HB2 ALA 53 HB2 ALA 53 -10.213 -2.623 17.287 395 HB3 ALA 53 HB3 ALA 53 -8.638 -1.865 17.051 396 H SER 54 HN SER 54 -9.426 0.269 14.641 397 HA SER 54 HA SER 54 -11.623 1.483 15.879 398 HB2 SER 54 HB2 SER 54 -9.548 2.600 14.963 399 HB3 SER 54 HB1 SER 54 -10.263 2.391 13.361 400 HG SER 54 HG SER 54 -11.471 3.799 15.515 401 H SER 55 HN SER 55 -11.215 -0.062 12.834 402 HA SER 55 HA SER 55 -14.085 0.252 12.298 403 HB2 SER 55 HB2 SER 55 -11.960 1.388 10.827 404 HB3 SER 55 HB1 SER 55 -12.645 0.105 9.840 405 HG SER 55 HG SER 55 -13.917 2.393 10.893 406 H GLU 56 HN GLU 56 -15.072 -1.420 11.153 407 HA GLU 56 HA GLU 56 -13.738 -3.986 11.393 408 HB2 GLU 56 HB2 GLU 56 -16.516 -3.439 10.337 409 HB3 GLU 56 HB1 GLU 56 -15.882 -4.965 10.939 410 HG2 GLU 56 HG2 GLU 56 -16.117 -4.366 13.120 411 HG3 GLU 56 HG1 GLU 56 -15.894 -2.649 12.789 412 H LYS 57 HN LYS 57 -13.698 -1.598 9.177 413 HA LYS 57 HA LYS 57 -14.185 -2.860 6.721 414 HB2 LYS 57 HB2 LYS 57 -12.068 -0.750 7.013 415 HB3 LYS 57 HB1 LYS 57 -13.220 -0.991 5.708 416 HG2 LYS 57 HG2 LYS 57 -13.692 0.222 8.406 417 HG3 LYS 57 HG1 LYS 57 -13.881 0.963 6.821 418 HD2 LYS 57 HD2 LYS 57 -15.828 -0.308 6.363 419 HD3 LYS 57 HD1 LYS 57 -15.546 -1.366 7.747 420 HE2 LYS 57 HE2 LYS 57 -16.031 0.386 9.286 421 HE3 LYS 57 HE1 LYS 57 -16.042 1.593 8.000 422 HZ1 LYS 57 HZ1 LYS 57 -17.982 -0.648 8.217 423 HZ2 LYS 57 HZ2 LYS 57 -18.027 0.621 7.101 424 HZ3 LYS 57 HZ3 LYS 57 -18.282 0.932 8.744 425 H MET 58 HN MET 58 -12.006 -2.638 5.160 426 HA MET 58 HA MET 58 -9.707 -3.939 6.274 427 HB2 MET 58 HB2 MET 58 -10.010 -5.874 4.526 428 HB3 MET 58 HB1 MET 58 -10.754 -5.989 6.114 429 HG2 MET 58 HG2 MET 58 -12.347 -4.771 3.933 430 HG3 MET 58 HG1 MET 58 -12.077 -6.512 3.885 431 HE1 MET 58 HE1 MET 58 -15.629 -6.682 5.259 432 HE2 MET 58 HE2 MET 58 -14.408 -7.506 4.285 433 HE3 MET 58 HE3 MET 58 -14.917 -5.866 3.866 434 H MET 59 HN MET 59 -8.411 -2.420 5.360 435 HA MET 59 HA MET 59 -8.164 -2.499 2.466 436 HB2 MET 59 HB2 MET 59 -8.381 0.105 3.971 437 HB3 MET 59 HB1 MET 59 -8.141 -0.081 2.243 438 HG2 MET 59 HG2 MET 59 -10.355 0.292 2.201 439 HG3 MET 59 HG1 MET 59 -10.415 -1.444 2.490 440 HE1 MET 59 HE1 MET 59 -10.828 2.166 4.548 441 HE2 MET 59 HE2 MET 59 -9.280 1.364 4.809 442 HE3 MET 59 HE3 MET 59 -10.484 1.403 6.095 443 H LEU 60 HN LEU 60 -6.136 -2.186 1.711 444 HA LEU 60 HA LEU 60 -4.052 -1.477 3.662 445 HB2 LEU 60 HB2 LEU 60 -3.873 -3.554 1.473 446 HB3 LEU 60 HB1 LEU 60 -2.526 -3.026 2.461 447 HG LEU 60 HG LEU 60 -4.920 -4.648 3.307 448 HD11 LEU 60 HD11 LEU 60 -1.964 -5.097 3.129 449 HD12 LEU 60 HD12 LEU 60 -3.279 -6.077 2.483 450 HD13 LEU 60 HD13 LEU 60 -2.962 -6.059 4.220 451 HD21 LEU 60 HD21 LEU 60 -4.356 -4.432 5.567 452 HD22 LEU 60 HD22 LEU 60 -4.309 -2.783 4.949 453 HD23 LEU 60 HD23 LEU 60 -2.808 -3.672 5.202 454 H ARG 61 HN ARG 61 -2.684 0.116 3.009 455 HA ARG 61 HA ARG 61 -2.923 0.988 0.200 456 HB2 ARG 61 HB2 ARG 61 -3.953 2.609 1.649 457 HB3 ARG 61 HB1 ARG 61 -2.546 2.639 2.700 458 HG2 ARG 61 HG2 ARG 61 -1.465 4.107 1.406 459 HG3 ARG 61 HG1 ARG 61 -1.954 3.300 -0.085 460 HD2 ARG 61 HD2 ARG 61 -3.195 5.155 -0.382 461 HD3 ARG 61 HD1 ARG 61 -4.316 4.338 0.706 462 HE ARG 61 HE ARG 61 -2.677 5.710 2.380 463 HH11 ARG 61 HH11 ARG 61 -4.616 6.610 -0.379 464 HH12 ARG 61 HH12 ARG 61 -4.908 8.218 0.193 465 HH21 ARG 61 HH21 ARG 61 -3.060 7.825 3.134 466 HH22 ARG 61 HH22 ARG 61 -4.025 8.908 2.187 467 H LEU 62 HN LEU 62 -1.115 1.412 -0.944 468 HA LEU 62 HA LEU 62 1.473 1.223 0.444 469 HB2 LEU 62 HB2 LEU 62 1.219 0.123 -2.314 470 HB3 LEU 62 HB1 LEU 62 2.339 -0.313 -1.039 471 HG LEU 62 HG LEU 62 0.929 -2.182 -1.351 472 HD11 LEU 62 HD11 LEU 62 0.975 -0.785 1.083 473 HD12 LEU 62 HD12 LEU 62 0.698 -2.507 0.826 474 HD13 LEU 62 HD13 LEU 62 -0.669 -1.395 0.892 475 HD21 LEU 62 HD21 LEU 62 -1.299 -2.159 -1.808 476 HD22 LEU 62 HD22 LEU 62 -0.872 -0.566 -2.433 477 HD23 LEU 62 HD23 LEU 62 -1.599 -0.720 -0.834 478 H ILE 63 HN ILE 63 2.626 3.011 0.115 479 HA ILE 63 HA ILE 63 1.952 4.748 -2.125 480 HB ILE 63 HB ILE 63 3.800 5.188 0.223 481 HG12 ILE 63 HG12 ILE 63 1.932 5.769 1.313 482 HG13 ILE 63 HG11 ILE 63 1.757 7.106 0.187 483 HG21 ILE 63 HG21 ILE 63 3.267 6.812 -2.212 484 HG22 ILE 63 HG22 ILE 63 4.772 6.562 -1.328 485 HG23 ILE 63 HG23 ILE 63 3.537 7.641 -0.679 486 HD11 ILE 63 HD11 ILE 63 0.449 5.559 -1.287 487 HD12 ILE 63 HD12 ILE 63 -0.306 5.960 0.254 488 HD13 ILE 63 HD13 ILE 63 0.475 4.395 0.037 489 H GLY 64 HN GLY 64 3.103 4.915 -3.901 490 HA2 GLY 64 HA2 GLY 64 5.248 3.156 -4.464 491 HA3 GLY 64 HA1 GLY 64 4.703 4.473 -5.488 492 H LYS 65 HN LYS 65 5.168 6.417 -3.275 493 HA LYS 65 HA LYS 65 6.813 7.821 -2.588 494 HB2 LYS 65 HB2 LYS 65 7.626 5.431 -1.706 495 HB3 LYS 65 HB1 LYS 65 8.936 5.770 -2.829 496 HG2 LYS 65 HG2 LYS 65 8.154 7.873 -0.882 497 HG3 LYS 65 HG1 LYS 65 9.089 6.489 -0.319 498 HD2 LYS 65 HD2 LYS 65 10.282 7.345 -2.720 499 HD3 LYS 65 HD1 LYS 65 9.968 8.795 -1.765 500 HE2 LYS 65 HE2 LYS 65 10.967 7.149 0.135 501 HE3 LYS 65 HE1 LYS 65 11.841 6.574 -1.284 502 HZ1 LYS 65 HZ1 LYS 65 11.706 9.463 -0.818 503 HZ2 LYS 65 HZ2 LYS 65 12.938 8.540 -1.520 504 HZ3 LYS 65 HZ3 LYS 65 12.741 8.548 0.160 505 H VAL 66 HN VAL 66 8.755 8.934 -3.282 506 HA VAL 66 HA VAL 66 9.842 8.325 -5.890 507 HB VAL 66 HB VAL 66 8.498 11.004 -5.593 508 HG11 VAL 66 HG11 VAL 66 10.012 11.201 -7.302 509 HG12 VAL 66 HG12 VAL 66 8.594 10.643 -8.191 510 HG13 VAL 66 HG13 VAL 66 9.873 9.505 -7.768 511 HG21 VAL 66 HG21 VAL 66 7.348 8.532 -6.887 512 HG22 VAL 66 HG22 VAL 66 6.672 10.156 -7.004 513 HG23 VAL 66 HG23 VAL 66 6.735 9.338 -5.443 514 H ASP 67 HN ASP 67 11.560 9.867 -6.512 515 HA ASP 67 HA ASP 67 13.072 10.647 -4.171 516 HB2 ASP 67 HB2 ASP 67 13.846 9.560 -6.509 517 HB3 ASP 67 HB1 ASP 67 14.101 11.262 -6.886 518 H GLU 68 HN GLU 68 13.892 12.736 -3.781 519 HA GLU 68 HA GLU 68 12.166 14.857 -4.748 520 HB2 GLU 68 HB2 GLU 68 12.985 16.163 -2.893 521 HB3 GLU 68 HB1 GLU 68 12.519 14.571 -2.313 522 HG2 GLU 68 HG2 GLU 68 15.035 14.008 -2.652 523 HG3 GLU 68 HG1 GLU 68 15.238 15.759 -2.604 524 H SER 69 HN SER 69 14.364 13.683 -6.381 525 HA SER 69 HA SER 69 15.995 16.076 -6.735 526 HB2 SER 69 HB2 SER 69 17.357 14.146 -6.149 527 HB3 SER 69 HB1 SER 69 16.636 13.217 -7.464 528 HG SER 69 HG SER 69 18.171 15.587 -7.772 529 H LYS 70 HN LYS 70 13.963 13.741 -8.292 530 HA LYS 70 HA LYS 70 14.376 14.867 -10.915 531 HB2 LYS 70 HB2 LYS 70 12.841 13.141 -11.691 532 HB3 LYS 70 HB1 LYS 70 14.090 12.445 -10.667 533 HG2 LYS 70 HG2 LYS 70 11.885 13.166 -9.024 534 HG3 LYS 70 HG1 LYS 70 11.282 12.248 -10.406 535 HD2 LYS 70 HD2 LYS 70 13.662 11.303 -8.846 536 HD3 LYS 70 HD1 LYS 70 12.022 10.964 -8.291 537 HE2 LYS 70 HE2 LYS 70 11.701 10.145 -10.766 538 HE3 LYS 70 HE1 LYS 70 13.455 9.978 -10.712 539 HZ1 LYS 70 HZ1 LYS 70 13.338 8.356 -9.101 540 HZ2 LYS 70 HZ2 LYS 70 11.973 7.998 -10.031 541 HZ3 LYS 70 HZ3 LYS 70 11.803 8.824 -8.565 542 H LYS 71 HN LYS 71 12.814 16.040 -8.394 543 HA LYS 71 HA LYS 71 10.168 16.471 -9.045 544 HB2 LYS 71 HB2 LYS 71 10.265 18.430 -7.632 545 HB3 LYS 71 HB1 LYS 71 11.210 17.135 -6.911 546 HG2 LYS 71 HG2 LYS 71 12.815 18.833 -8.625 547 HG3 LYS 71 HG1 LYS 71 12.018 19.743 -7.340 548 HD2 LYS 71 HD2 LYS 71 13.405 17.181 -6.686 549 HD3 LYS 71 HD1 LYS 71 14.360 18.645 -6.932 550 HE2 LYS 71 HE2 LYS 71 12.432 19.583 -5.289 551 HE3 LYS 71 HE1 LYS 71 12.536 17.912 -4.736 552 HZ1 LYS 71 HZ1 LYS 71 14.106 19.840 -3.826 553 HZ2 LYS 71 HZ2 LYS 71 15.062 19.304 -5.114 554 HZ3 LYS 71 HZ3 LYS 71 14.592 18.221 -3.902 555 H ARG 72 HN ARG 72 9.496 18.978 -9.361 556 HA ARG 72 HA ARG 72 10.741 19.875 -11.873 557 HB2 ARG 72 HB2 ARG 72 8.339 20.751 -12.364 558 HB3 ARG 72 HB1 ARG 72 8.706 19.054 -12.642 559 HG2 ARG 72 HG2 ARG 72 6.538 19.390 -11.541 560 HG3 ARG 72 HG1 ARG 72 7.655 18.441 -10.558 561 HD2 ARG 72 HD2 ARG 72 7.971 20.146 -9.033 562 HD3 ARG 72 HD1 ARG 72 7.515 21.400 -10.186 563 HE ARG 72 HE ARG 72 5.786 20.010 -8.404 564 HH11 ARG 72 HH11 ARG 72 5.923 21.475 -11.569 565 HH12 ARG 72 HH12 ARG 72 4.225 21.808 -11.626 566 HH21 ARG 72 HH21 ARG 72 3.552 20.447 -8.477 567 HH22 ARG 72 HH22 ARG 72 2.878 21.225 -9.870 568 H LYS 73 HN LYS 73 10.674 22.160 -12.255 569 HA LYS 73 HA LYS 73 10.918 23.673 -9.810 570 HB2 LYS 73 HB2 LYS 73 11.041 25.002 -12.480 571 HB3 LYS 73 HB1 LYS 73 12.022 25.275 -11.048 572 HG2 LYS 73 HG2 LYS 73 12.259 23.005 -13.010 573 HG3 LYS 73 HG1 LYS 73 13.399 24.326 -12.752 574 HD2 LYS 73 HD2 LYS 73 13.865 23.515 -10.508 575 HD3 LYS 73 HD1 LYS 73 12.673 22.228 -10.707 576 HE2 LYS 73 HE2 LYS 73 14.189 21.737 -12.852 577 HE3 LYS 73 HE1 LYS 73 15.407 22.484 -11.819 578 HZ1 LYS 73 HZ1 LYS 73 13.681 20.273 -10.873 579 HZ2 LYS 73 HZ2 LYS 73 15.122 20.840 -10.192 580 HZ3 LYS 73 HZ3 LYS 73 15.154 19.992 -11.656 581 H ASP 74 HN ASP 74 10.085 26.206 -10.612 582 HA ASP 74 HA ASP 74 7.367 26.151 -11.480 583 HB2 ASP 74 HB2 ASP 74 8.019 26.232 -8.582 584 HB3 ASP 74 HB1 ASP 74 6.748 27.310 -9.149 585 H ASN 75 HN ASN 75 6.370 28.470 -10.744 586 HA ASN 75 HA ASN 75 7.825 30.371 -12.191 587 HB2 ASN 75 HB2 ASN 75 5.437 30.482 -10.400 588 HB3 ASN 75 HB1 ASN 75 6.185 31.990 -10.917 589 HD21 ASN 75 HD21 ASN 75 5.365 32.838 -12.677 590 HD22 ASN 75 HD22 ASN 75 4.584 31.982 -13.958 591 H GLU 76 HN GLU 76 7.772 29.605 -8.808 592 HA GLU 76 HA GLU 76 9.528 31.851 -8.221 593 HB2 GLU 76 HB2 GLU 76 7.758 30.126 -6.536 594 HB3 GLU 76 HB1 GLU 76 9.103 30.982 -5.794 595 HG2 GLU 76 HG2 GLU 76 7.169 32.467 -7.512 596 HG3 GLU 76 HG1 GLU 76 6.740 32.055 -5.852 597 H GLY 77 HN GLY 77 10.016 28.955 -9.395 598 HA2 GLY 77 HA2 GLY 77 11.714 27.412 -9.326 599 HA3 GLY 77 HA1 GLY 77 12.680 28.714 -8.647 600 H ASN 78 HN ASN 78 9.820 27.524 -7.045 601 HA ASN 78 HA ASN 78 11.244 26.994 -4.647 602 HB2 ASN 78 HB2 ASN 78 8.413 26.503 -5.541 603 HB3 ASN 78 HB1 ASN 78 8.988 25.928 -3.978 604 HD21 ASN 78 HD21 ASN 78 7.315 28.301 -5.351 605 HD22 ASN 78 HD22 ASN 78 7.668 29.609 -4.279 606 H GLU 79 HN GLU 79 9.575 24.827 -6.935 607 HA GLU 79 HA GLU 79 9.843 22.619 -7.411 608 HB2 GLU 79 HB2 GLU 79 12.560 22.644 -6.145 609 HB3 GLU 79 HB1 GLU 79 12.007 21.774 -7.568 610 HG2 GLU 79 HG2 GLU 79 12.668 23.398 -8.917 611 HG3 GLU 79 HG1 GLU 79 11.826 24.623 -7.972 612 H VAL 80 HN VAL 80 10.112 20.440 -6.404 613 HA VAL 80 HA VAL 80 10.564 20.010 -3.688 614 HB VAL 80 HB VAL 80 8.620 21.412 -3.263 615 HG11 VAL 80 HG11 VAL 80 7.104 21.426 -4.928 616 HG12 VAL 80 HG12 VAL 80 6.391 20.077 -4.043 617 HG13 VAL 80 HG13 VAL 80 7.466 19.766 -5.407 618 HG21 VAL 80 HG21 VAL 80 7.543 20.004 -1.736 619 HG22 VAL 80 HG22 VAL 80 9.135 19.273 -1.941 620 HG23 VAL 80 HG23 VAL 80 7.737 18.587 -2.769 621 H VAL 81 HN VAL 81 10.093 17.875 -3.001 622 HA VAL 81 HA VAL 81 10.397 15.884 -4.887 623 HB VAL 81 HB VAL 81 10.818 15.555 -2.487 624 HG11 VAL 81 HG11 VAL 81 7.832 15.318 -2.172 625 HG12 VAL 81 HG12 VAL 81 8.765 16.743 -1.713 626 HG13 VAL 81 HG13 VAL 81 9.057 15.201 -0.909 627 HG21 VAL 81 HG21 VAL 81 10.394 13.652 -4.112 628 HG22 VAL 81 HG22 VAL 81 8.787 13.533 -3.395 629 HG23 VAL 81 HG23 VAL 81 10.219 13.277 -2.397 630 HA PRO 82 HA PRO 82 6.369 15.785 -6.838 631 HB2 PRO 82 HB2 PRO 82 6.683 13.317 -8.021 632 HB3 PRO 82 HB1 PRO 82 7.298 14.832 -8.692 633 HG2 PRO 82 HG2 PRO 82 8.731 12.756 -7.082 634 HG3 PRO 82 HG1 PRO 82 9.281 13.633 -8.523 635 HD2 PRO 82 HD2 PRO 82 10.108 14.340 -6.084 636 HD3 PRO 82 HD1 PRO 82 9.746 15.566 -7.318 637 H LYS 83 HN LYS 83 4.675 15.448 -5.548 638 HA LYS 83 HA LYS 83 4.400 13.703 -3.461 639 HB2 LYS 83 HB2 LYS 83 1.921 13.906 -3.830 640 HB3 LYS 83 HB1 LYS 83 2.789 15.432 -3.756 641 HG2 LYS 83 HG2 LYS 83 2.524 14.348 -6.458 642 HG3 LYS 83 HG1 LYS 83 0.989 14.732 -5.676 643 HD2 LYS 83 HD2 LYS 83 2.243 16.958 -5.048 644 HD3 LYS 83 HD1 LYS 83 3.241 16.531 -6.439 645 HE2 LYS 83 HE2 LYS 83 1.343 16.523 -7.888 646 HE3 LYS 83 HE1 LYS 83 0.234 16.681 -6.526 647 HZ1 LYS 83 HZ1 LYS 83 1.066 18.734 -7.999 648 HZ2 LYS 83 HZ2 LYS 83 2.231 18.773 -6.774 649 HZ3 LYS 83 HZ3 LYS 83 0.589 18.883 -6.383 650 HA PRO 84 HA PRO 84 4.681 9.775 -5.734 651 HB2 PRO 84 HB2 PRO 84 4.037 8.842 -2.977 652 HB3 PRO 84 HB1 PRO 84 5.286 8.279 -4.093 653 HG2 PRO 84 HG2 PRO 84 5.916 9.822 -2.017 654 HG3 PRO 84 HG1 PRO 84 6.717 10.033 -3.585 655 HD2 PRO 84 HD2 PRO 84 4.597 11.691 -2.298 656 HD3 PRO 84 HD1 PRO 84 5.953 12.190 -3.329 657 H GLN 85 HN GLN 85 3.153 8.372 -6.511 658 HA GLN 85 HA GLN 85 0.402 9.105 -6.130 659 HB2 GLN 85 HB2 GLN 85 1.652 8.212 -8.273 660 HB3 GLN 85 HB1 GLN 85 1.219 6.640 -7.614 661 HG2 GLN 85 HG2 GLN 85 -1.131 7.261 -7.632 662 HG3 GLN 85 HG1 GLN 85 -0.714 8.859 -8.248 663 HE21 GLN 85 HE21 GLN 85 -1.213 5.549 -9.002 664 HE22 GLN 85 HE22 GLN 85 -1.009 5.677 -10.713 665 H ARG 86 HN ARG 86 -0.746 8.430 -4.451 666 HA ARG 86 HA ARG 86 -0.074 5.885 -3.173 667 HB2 ARG 86 HB2 ARG 86 -1.983 8.024 -2.220 668 HB3 ARG 86 HB1 ARG 86 -1.386 6.656 -1.291 669 HG2 ARG 86 HG2 ARG 86 0.920 7.605 -1.555 670 HG3 ARG 86 HG1 ARG 86 0.169 9.045 -2.244 671 HD2 ARG 86 HD2 ARG 86 -1.004 9.495 -0.218 672 HD3 ARG 86 HD1 ARG 86 -0.544 7.935 0.462 673 HE ARG 86 HE ARG 86 1.799 9.320 -0.119 674 HH11 ARG 86 HH11 ARG 86 -0.951 9.625 2.008 675 HH12 ARG 86 HH12 ARG 86 -0.067 10.466 3.236 676 HH21 ARG 86 HH21 ARG 86 2.964 10.427 1.495 677 HH22 ARG 86 HH22 ARG 86 2.156 10.922 2.945 678 H HIS 87 HN HIS 87 -1.673 4.321 -2.692 679 HA HIS 87 HA HIS 87 -4.256 4.583 -4.021 680 HB2 HIS 87 HB2 HIS 87 -3.701 2.043 -4.759 681 HB3 HIS 87 HB1 HIS 87 -3.446 3.435 -5.803 682 HD1 HIS 87 HD1 HIS 87 -1.081 3.922 -6.518 683 HD2 HIS 87 HD2 HIS 87 -1.297 1.046 -3.527 684 HE1 HIS 87 HE1 HIS 87 1.243 2.982 -6.320 685 HE2 HIS 87 HE2 HIS 87 1.108 1.308 -4.443 686 H MET 88 HN MET 88 -5.885 3.481 -3.034 687 HA MET 88 HA MET 88 -5.163 2.067 -0.559 688 HB2 MET 88 HB2 MET 88 -6.592 3.913 -0.096 689 HB3 MET 88 HB1 MET 88 -7.683 3.495 -1.408 690 HG2 MET 88 HG2 MET 88 -8.320 1.447 -0.187 691 HG3 MET 88 HG1 MET 88 -7.283 1.945 1.145 692 HE1 MET 88 HE1 MET 88 -9.437 3.626 3.389 693 HE2 MET 88 HE2 MET 88 -8.189 2.439 3.007 694 HE3 MET 88 HE3 MET 88 -9.886 1.984 2.946 695 H PHE 89 HN PHE 89 -5.291 -0.058 -0.561 696 HA PHE 89 HA PHE 89 -6.863 -1.411 -2.617 697 HB2 PHE 89 HB2 PHE 89 -4.381 -1.945 -1.364 698 HB3 PHE 89 HB1 PHE 89 -5.481 -3.224 -0.864 699 HD1 PHE 89 HD1 PHE 89 -7.109 -3.821 -3.075 700 HD2 PHE 89 HD2 PHE 89 -3.026 -2.627 -3.064 701 HE1 PHE 89 HE1 PHE 89 -6.782 -4.937 -5.241 702 HE2 PHE 89 HE2 PHE 89 -2.690 -3.742 -5.230 703 HZ PHE 89 HZ PHE 89 -4.571 -4.894 -6.317 704 H SER 90 HN SER 90 -8.827 -2.201 -2.172 705 HA SER 90 HA SER 90 -9.488 -2.726 0.652 706 HB2 SER 90 HB2 SER 90 -11.254 -1.479 -1.461 707 HB3 SER 90 HB1 SER 90 -11.780 -1.923 0.163 708 HG SER 90 HG SER 90 -10.858 0.357 -0.477 709 H PHE 91 HN PHE 91 -10.189 -4.695 1.072 710 HA PHE 91 HA PHE 91 -11.445 -6.226 -1.095 711 HB2 PHE 91 HB2 PHE 91 -10.332 -8.150 0.596 712 HB3 PHE 91 HB1 PHE 91 -9.794 -7.725 -1.022 713 HD1 PHE 91 HD1 PHE 91 -8.374 -5.232 -0.718 714 HD2 PHE 91 HD2 PHE 91 -8.558 -8.557 1.928 715 HE1 PHE 91 HE1 PHE 91 -6.170 -4.630 0.193 716 HE2 PHE 91 HE2 PHE 91 -6.361 -7.970 2.825 717 HZ PHE 91 HZ PHE 91 -5.160 -6.003 1.963 718 H ASN 92 HN ASN 92 -12.678 -8.175 -0.134 719 HA ASN 92 HA ASN 92 -14.295 -7.110 2.061 720 HB2 ASN 92 HB2 ASN 92 -14.814 -8.969 -0.212 721 HB3 ASN 92 HB1 ASN 92 -15.758 -9.185 1.259 722 HD21 ASN 92 HD21 ASN 92 -14.751 -6.717 -1.065 723 HD22 ASN 92 HD22 ASN 92 -16.213 -5.799 -0.989 724 H ASN 93 HN ASN 93 -11.703 -8.368 2.507 725 HA ASN 93 HA ASN 93 -12.612 -10.557 4.242 726 HB2 ASN 93 HB2 ASN 93 -10.401 -10.544 2.254 727 HB3 ASN 93 HB1 ASN 93 -10.117 -11.385 3.775 728 HD21 ASN 93 HD21 ASN 93 -11.919 -12.892 4.428 729 HD22 ASN 93 HD22 ASN 93 -12.605 -13.865 3.176 730 H ARG 94 HN ARG 94 -12.462 -9.794 6.234 731 HA ARG 94 HA ARG 94 -10.465 -7.856 6.984 732 HB2 ARG 94 HB2 ARG 94 -12.909 -8.102 7.860 733 HB3 ARG 94 HB1 ARG 94 -12.219 -9.307 8.939 734 HG2 ARG 94 HG2 ARG 94 -10.869 -7.727 10.022 735 HG3 ARG 94 HG1 ARG 94 -11.101 -6.531 8.745 736 HD2 ARG 94 HD2 ARG 94 -12.645 -5.669 10.125 737 HD3 ARG 94 HD1 ARG 94 -13.664 -6.981 9.533 738 HE ARG 94 HE ARG 94 -13.508 -7.989 11.586 739 HH11 ARG 94 HH11 ARG 94 -11.093 -5.479 11.363 740 HH12 ARG 94 HH12 ARG 94 -10.657 -5.578 13.036 741 HH21 ARG 94 HH21 ARG 94 -12.935 -8.120 13.787 742 HH22 ARG 94 HH22 ARG 94 -11.701 -7.077 14.412 743 H THR 95 HN THR 95 -10.926 -11.296 7.224 744 HA THR 95 HA THR 95 -8.942 -11.735 9.234 745 HB THR 95 HB THR 95 -10.957 -13.239 8.303 746 HG1 THR 95 HG1 THR 95 -8.540 -14.051 9.507 747 HG21 THR 95 HG21 THR 95 -9.969 -13.754 6.148 748 HG22 THR 95 HG22 THR 95 -10.112 -15.202 7.144 749 HG23 THR 95 HG23 THR 95 -8.545 -14.418 6.948 750 H VAL 96 HN VAL 96 -9.020 -12.083 5.707 751 HA VAL 96 HA VAL 96 -6.385 -12.995 5.373 752 HB VAL 96 HB VAL 96 -7.880 -11.256 3.410 753 HG11 VAL 96 HG11 VAL 96 -5.565 -13.141 3.226 754 HG12 VAL 96 HG12 VAL 96 -5.727 -11.503 2.592 755 HG13 VAL 96 HG13 VAL 96 -6.585 -12.837 1.820 756 HG21 VAL 96 HG21 VAL 96 -8.886 -13.566 4.454 757 HG22 VAL 96 HG22 VAL 96 -8.018 -14.154 3.037 758 HG23 VAL 96 HG23 VAL 96 -9.266 -12.922 2.857 759 H MET 97 HN MET 97 -7.673 -9.718 4.831 760 HA MET 97 HA MET 97 -5.386 -8.343 4.331 761 HB2 MET 97 HB2 MET 97 -6.488 -6.381 5.404 762 HB3 MET 97 HB1 MET 97 -7.487 -7.226 4.245 763 HG2 MET 97 HG2 MET 97 -9.050 -7.096 5.820 764 HG3 MET 97 HG1 MET 97 -8.214 -8.474 6.523 765 HE1 MET 97 HE1 MET 97 -7.450 -4.733 6.174 766 HE2 MET 97 HE2 MET 97 -5.939 -5.292 6.893 767 HE3 MET 97 HE3 MET 97 -7.009 -4.235 7.810 768 H ASP 98 HN ASP 98 -6.696 -8.826 7.598 769 HA ASP 98 HA ASP 98 -4.753 -7.535 9.046 770 HB2 ASP 98 HB2 ASP 98 -6.937 -8.657 9.836 771 HB3 ASP 98 HB1 ASP 98 -5.958 -10.109 10.026 772 H ASN 99 HN ASN 99 -4.518 -10.586 7.418 773 HA ASN 99 HA ASN 99 -2.129 -11.375 8.861 774 HB2 ASN 99 HB2 ASN 99 -3.800 -12.615 6.702 775 HB3 ASN 99 HB1 ASN 99 -2.179 -13.226 7.019 776 HD21 ASN 99 HD21 ASN 99 -4.930 -14.347 7.414 777 HD22 ASN 99 HD22 ASN 99 -4.951 -14.875 9.058 778 H ILE 100 HN ILE 100 -2.978 -10.045 5.709 779 HA ILE 100 HA ILE 100 -0.231 -10.222 4.804 780 HB ILE 100 HB ILE 100 -2.255 -10.564 3.306 781 HG12 ILE 100 HG12 ILE 100 0.015 -8.709 2.603 782 HG13 ILE 100 HG11 ILE 100 -0.106 -10.441 2.310 783 HG21 ILE 100 HG21 ILE 100 -2.408 -7.777 2.559 784 HG22 ILE 100 HG22 ILE 100 -2.950 -8.039 4.217 785 HG23 ILE 100 HG23 ILE 100 -3.700 -8.929 2.892 786 HD11 ILE 100 HD11 ILE 100 -1.793 -8.334 0.976 787 HD12 ILE 100 HD12 ILE 100 -1.813 -10.067 0.639 788 HD13 ILE 100 HD13 ILE 100 -0.376 -9.113 0.269 789 H LYS 101 HN LYS 101 -2.312 -7.835 6.261 790 HA LYS 101 HA LYS 101 -0.999 -5.503 5.413 791 HB2 LYS 101 HB2 LYS 101 -2.075 -4.435 7.316 792 HB3 LYS 101 HB1 LYS 101 -3.194 -5.529 6.519 793 HG2 LYS 101 HG2 LYS 101 -3.598 -6.465 8.453 794 HG3 LYS 101 HG1 LYS 101 -1.938 -7.046 8.499 795 HD2 LYS 101 HD2 LYS 101 -2.267 -5.857 10.517 796 HD3 LYS 101 HD1 LYS 101 -1.329 -4.783 9.474 797 HE2 LYS 101 HE2 LYS 101 -2.887 -3.235 9.856 798 HE3 LYS 101 HE1 LYS 101 -3.953 -4.209 8.838 799 HZ1 LYS 101 HZ1 LYS 101 -4.855 -5.273 10.731 800 HZ2 LYS 101 HZ2 LYS 101 -4.856 -3.617 11.078 801 HZ3 LYS 101 HZ3 LYS 101 -3.681 -4.624 11.762 802 H MET 102 HN MET 102 -0.356 -7.756 8.009 803 HA MET 102 HA MET 102 1.649 -6.168 9.278 804 HB2 MET 102 HB2 MET 102 2.099 -8.109 10.633 805 HB3 MET 102 HB1 MET 102 0.359 -7.942 10.447 806 HG2 MET 102 HG2 MET 102 0.548 -10.165 10.079 807 HG3 MET 102 HG1 MET 102 0.781 -9.591 8.429 808 HE1 MET 102 HE1 MET 102 1.876 -12.544 9.887 809 HE2 MET 102 HE2 MET 102 3.192 -12.671 8.719 810 HE3 MET 102 HE3 MET 102 1.604 -12.103 8.201 811 H THR 103 HN THR 103 1.667 -8.756 6.881 812 HA THR 103 HA THR 103 4.378 -9.326 6.782 813 HB THR 103 HB THR 103 2.551 -9.153 4.380 814 HG1 THR 103 HG1 THR 103 1.484 -10.424 5.802 815 HG21 THR 103 HG21 THR 103 4.888 -9.602 3.826 816 HG22 THR 103 HG22 THR 103 3.850 -10.989 3.497 817 HG23 THR 103 HG23 THR 103 4.878 -10.978 4.930 818 H LEU 104 HN LEU 104 2.587 -6.667 5.337 819 HA LEU 104 HA LEU 104 4.901 -5.626 3.959 820 HB2 LEU 104 HB2 LEU 104 2.139 -4.495 4.397 821 HB3 LEU 104 HB1 LEU 104 3.381 -3.713 3.440 822 HG LEU 104 HG LEU 104 1.558 -5.881 2.729 823 HD11 LEU 104 HD11 LEU 104 1.514 -4.806 0.742 824 HD12 LEU 104 HD12 LEU 104 3.250 -4.491 0.749 825 HD13 LEU 104 HD13 LEU 104 2.169 -3.489 1.716 826 HD21 LEU 104 HD21 LEU 104 3.240 -6.940 1.176 827 HD22 LEU 104 HD22 LEU 104 3.409 -7.352 2.882 828 HD23 LEU 104 HD23 LEU 104 4.496 -6.175 2.146 829 H GLN 105 HN GLN 105 2.917 -4.686 6.749 830 HA GLN 105 HA GLN 105 4.067 -2.312 7.464 831 HB2 GLN 105 HB2 GLN 105 2.917 -4.558 9.073 832 HB3 GLN 105 HB1 GLN 105 3.654 -3.193 9.900 833 HG2 GLN 105 HG2 GLN 105 2.123 -1.688 8.649 834 HG3 GLN 105 HG1 GLN 105 1.324 -3.119 7.999 835 HE21 GLN 105 HE21 GLN 105 -0.276 -1.498 9.270 836 HE22 GLN 105 HE22 GLN 105 -0.681 -2.071 10.849 837 H GLN 106 HN GLN 106 5.215 -5.553 8.352 838 HA GLN 106 HA GLN 106 7.426 -4.723 9.868 839 HB2 GLN 106 HB2 GLN 106 6.844 -7.257 8.345 840 HB3 GLN 106 HB1 GLN 106 8.326 -7.042 9.266 841 HG2 GLN 106 HG2 GLN 106 6.758 -6.470 11.229 842 HG3 GLN 106 HG1 GLN 106 5.509 -7.234 10.247 843 HE21 GLN 106 HE21 GLN 106 6.467 -9.379 9.211 844 HE22 GLN 106 HE22 GLN 106 7.152 -10.459 10.372 845 H ILE 107 HN ILE 107 7.182 -5.635 6.434 846 HA ILE 107 HA ILE 107 9.839 -5.381 5.746 847 HB ILE 107 HB ILE 107 7.318 -5.574 4.357 848 HG12 ILE 107 HG12 ILE 107 10.114 -6.207 3.434 849 HG13 ILE 107 HG11 ILE 107 9.195 -7.217 4.549 850 HG21 ILE 107 HG21 ILE 107 9.379 -3.757 3.131 851 HG22 ILE 107 HG22 ILE 107 7.668 -3.432 3.410 852 HG23 ILE 107 HG23 ILE 107 8.154 -4.608 2.191 853 HD11 ILE 107 HD11 ILE 107 8.426 -6.555 1.715 854 HD12 ILE 107 HD12 ILE 107 7.475 -7.534 2.832 855 HD13 ILE 107 HD13 ILE 107 9.060 -8.094 2.297 856 H ILE 108 HN ILE 108 7.321 -2.853 5.360 857 HA ILE 108 HA ILE 108 8.893 -0.812 4.439 858 HB ILE 108 HB ILE 108 6.770 -0.405 6.537 859 HG12 ILE 108 HG12 ILE 108 5.750 -1.759 4.864 860 HG13 ILE 108 HG11 ILE 108 5.244 -0.104 4.543 861 HG21 ILE 108 HG21 ILE 108 8.344 1.484 5.733 862 HG22 ILE 108 HG22 ILE 108 6.607 1.786 5.804 863 HG23 ILE 108 HG23 ILE 108 7.379 1.433 4.258 864 HD11 ILE 108 HD11 ILE 108 7.509 -1.467 3.113 865 HD12 ILE 108 HD12 ILE 108 6.759 0.079 2.715 866 HD13 ILE 108 HD13 ILE 108 5.848 -1.419 2.522 867 H SER 109 HN SER 109 8.128 -1.344 7.830 868 HA SER 109 HA SER 109 9.843 0.509 8.947 869 HB2 SER 109 HB2 SER 109 8.059 -0.946 10.077 870 HB3 SER 109 HB1 SER 109 9.312 -2.181 10.194 871 HG SER 109 HG SER 109 10.203 -1.108 11.768 872 H ARG 110 HN ARG 110 10.563 -2.549 7.501 873 HA ARG 110 HA ARG 110 13.208 -2.693 8.674 874 HB2 ARG 110 HB2 ARG 110 13.054 -4.870 8.195 875 HB3 ARG 110 HB1 ARG 110 11.416 -4.563 7.642 876 HG2 ARG 110 HG2 ARG 110 12.248 -4.223 5.366 877 HG3 ARG 110 HG1 ARG 110 13.892 -4.535 5.925 878 HD2 ARG 110 HD2 ARG 110 11.902 -6.592 6.617 879 HD3 ARG 110 HD1 ARG 110 12.248 -6.421 4.896 880 HE ARG 110 HE ARG 110 14.603 -6.576 6.536 881 HH11 ARG 110 HH11 ARG 110 12.179 -8.422 4.834 882 HH12 ARG 110 HH12 ARG 110 13.186 -9.820 4.661 883 HH21 ARG 110 HH21 ARG 110 15.929 -8.413 6.308 884 HH22 ARG 110 HH22 ARG 110 15.315 -9.815 5.497 885 H TYR 111 HN TYR 111 11.792 -2.220 5.440 886 HA TYR 111 HA TYR 111 14.376 -1.678 4.288 887 HB2 TYR 111 HB2 TYR 111 11.588 -1.454 3.149 888 HB3 TYR 111 HB1 TYR 111 13.054 -1.157 2.223 889 HD1 TYR 111 HD2 TYR 111 14.366 -3.582 4.016 890 HD2 TYR 111 HD1 TYR 111 11.088 -3.134 1.339 891 HE1 TYR 111 HE2 TYR 111 14.497 -5.973 3.463 892 HE2 TYR 111 HE1 TYR 111 11.211 -5.524 0.780 893 HH TYR 111 HH TYR 111 12.566 -7.748 2.499 894 H LYS 112 HN LYS 112 11.551 0.303 5.146 895 HA LYS 112 HA LYS 112 12.295 2.725 4.068 896 HB2 LYS 112 HB2 LYS 112 10.548 3.507 5.275 897 HB3 LYS 112 HB1 LYS 112 10.327 1.830 5.725 898 HG2 LYS 112 HG2 LYS 112 11.363 2.121 7.790 899 HG3 LYS 112 HG1 LYS 112 11.976 3.717 7.355 900 HD2 LYS 112 HD2 LYS 112 9.054 3.381 7.185 901 HD3 LYS 112 HD1 LYS 112 9.736 3.299 8.811 902 HE2 LYS 112 HE2 LYS 112 11.041 5.452 7.879 903 HE3 LYS 112 HE1 LYS 112 9.559 5.574 6.932 904 HZ1 LYS 112 HZ1 LYS 112 9.896 5.686 9.859 905 HZ2 LYS 112 HZ2 LYS 112 8.407 5.249 9.187 906 HZ3 LYS 112 HZ3 LYS 112 9.078 6.761 8.840 907 H ASP 113 HN ASP 113 13.067 1.429 7.224 908 HA ASP 113 HA ASP 113 14.606 3.364 8.353 909 HB2 ASP 113 HB2 ASP 113 14.102 0.739 8.928 910 HB3 ASP 113 HB1 ASP 113 15.837 0.717 8.628 911 H ALA 114 HN ALA 114 15.474 1.454 5.608 912 HA ALA 114 HA ALA 114 18.163 2.650 5.658 913 HB1 ALA 114 HB1 ALA 114 17.683 0.343 3.905 914 HB2 ALA 114 HB2 ALA 114 17.558 0.030 5.637 915 HB3 ALA 114 HB3 ALA 114 19.045 0.705 4.967 916 H ASP 115 HN ASP 115 15.731 1.453 3.331 917 HA ASP 115 HA ASP 115 16.704 2.728 1.070 918 HB2 ASP 115 HB2 ASP 115 13.873 2.002 1.836 919 HB3 ASP 115 HB1 ASP 115 14.323 2.588 0.237 920 H2 PRO 59 HT1 PRO 59 -23.434 -6.585 -4.243 921 H3 PRO 59 HT2 PRO 59 -24.264 -6.548 -5.664 922 HA PRO 59 HA PRO 59 -25.628 -5.099 -5.049 923 HB2 PRO 59 HB2 PRO 59 -26.014 -5.381 -2.251 924 HB3 PRO 59 HB1 PRO 59 -27.138 -5.814 -3.546 925 HG2 PRO 59 HG2 PRO 59 -25.199 -7.516 -2.076 926 HG3 PRO 59 HG1 PRO 59 -26.770 -7.944 -2.779 927 HD2 PRO 59 HD2 PRO 59 -24.503 -8.724 -3.945 928 HD3 PRO 59 HD1 PRO 59 -25.882 -8.187 -4.924 929 H GLY 60 HN GLY 60 -22.832 -4.814 -5.058 930 HA2 GLY 60 HA2 GLY 60 -22.521 -2.695 -3.028 931 HA3 GLY 60 HA1 GLY 60 -21.218 -3.828 -3.355 932 H GLU 61 HN GLU 61 -19.836 -3.423 -4.992 933 HA GLU 61 HA GLU 61 -18.765 -2.288 -6.646 934 HB2 GLU 61 HB2 GLU 61 -21.469 -1.354 -7.591 935 HB3 GLU 61 HB1 GLU 61 -20.016 -1.613 -8.546 936 HG2 GLU 61 HG2 GLU 61 -20.398 -4.090 -7.542 937 HG3 GLU 61 HG1 GLU 61 -22.062 -3.520 -7.654 938 H GLU 62 HN GLU 62 -19.415 -0.960 -4.105 939 HA GLU 62 HA GLU 62 -18.425 1.602 -4.677 940 HB2 GLU 62 HB2 GLU 62 -20.697 1.972 -5.567 941 HB3 GLU 62 HB1 GLU 62 -21.373 1.541 -4.003 942 HG2 GLU 62 HG2 GLU 62 -20.839 3.526 -3.066 943 HG3 GLU 62 HG1 GLU 62 -19.371 3.710 -4.025 944 H GLU 63 HN GLU 63 -17.943 -0.550 -2.866 945 HA GLU 63 HA GLU 63 -17.543 -1.005 -0.666 946 HB2 GLU 63 HB2 GLU 63 -17.008 1.853 -1.086 947 HB3 GLU 63 HB1 GLU 63 -17.269 1.414 0.596 948 HG2 GLU 63 HG2 GLU 63 -15.079 0.979 0.577 949 HG3 GLU 63 HG1 GLU 63 -15.570 -0.540 -0.172 950 H ASP 64 HN ASP 64 -18.174 0.046 1.716 951 HA ASP 64 HA ASP 64 -20.908 -0.600 2.009 952 HB2 ASP 64 HB2 ASP 64 -18.812 0.520 3.845 953 HB3 ASP 64 HB1 ASP 64 -20.491 0.431 4.370 954 H ASP 65 HN ASP 65 -19.518 2.434 3.205 955 HA ASP 65 HA ASP 65 -20.832 4.256 1.603 956 HB2 ASP 65 HB2 ASP 65 -22.947 3.306 2.334 957 HB3 ASP 65 HB1 ASP 65 -22.481 3.482 4.022 958 H GLU 66 HN GLU 66 -19.040 5.492 1.963 959 HA GLU 66 HA GLU 66 -17.510 6.800 3.047 960 HB2 GLU 66 HB2 GLU 66 -18.483 8.574 4.370 961 HB3 GLU 66 HB1 GLU 66 -19.536 8.222 3.007 962 HG2 GLU 66 HG2 GLU 66 -21.154 7.241 4.345 963 HG3 GLU 66 HG1 GLU 66 -20.027 6.959 5.672 964 H ARG 67 HN ARG 67 -17.520 4.207 4.077 965 HA ARG 67 HA ARG 67 -16.548 4.725 6.747 966 HB2 ARG 67 HB2 ARG 67 -18.652 2.669 6.113 967 HB3 ARG 67 HB1 ARG 67 -17.688 2.629 7.582 968 HG2 ARG 67 HG2 ARG 67 -18.722 4.469 8.480 969 HG3 ARG 67 HG1 ARG 67 -19.185 5.111 6.903 970 HD2 ARG 67 HD2 ARG 67 -20.946 3.563 6.675 971 HD3 ARG 67 HD1 ARG 67 -20.344 2.565 7.998 972 HE ARG 67 HE ARG 67 -20.874 4.922 9.206 973 HH11 ARG 67 HH11 ARG 67 -22.755 2.843 7.127 974 HH12 ARG 67 HH12 ARG 67 -24.268 3.292 7.837 975 HH21 ARG 67 HH21 ARG 67 -22.864 5.514 10.141 976 HH22 ARG 67 HH22 ARG 67 -24.331 4.809 9.548 977 H GLY 68 HN GLY 68 -16.970 2.388 4.172 978 HA2 GLY 68 HA2 GLY 68 -14.801 0.728 5.015 979 HA3 GLY 68 HA1 GLY 68 -15.672 0.604 3.497 980 H ALA 69 HN ALA 69 -14.759 3.758 3.720 981 HA ALA 69 HA ALA 69 -12.096 3.306 2.572 982 HB1 ALA 69 HB1 ALA 69 -13.322 3.521 0.607 983 HB2 ALA 69 HB2 ALA 69 -12.729 5.157 0.894 984 HB3 ALA 69 HB3 ALA 69 -14.395 4.741 1.295 985 H ASP 70 HN ASP 70 -12.355 4.097 5.126 986 HA ASP 70 HA ASP 70 -11.248 6.764 5.061 987 HB2 ASP 70 HB2 ASP 70 -13.912 6.652 5.515 988 HB3 ASP 70 HB1 ASP 70 -13.305 6.472 7.158 989 H ALA 71 HN ALA 71 -12.617 4.637 7.509 990 HA ALA 71 HA ALA 71 -10.633 5.014 9.430 991 HB1 ALA 71 HB1 ALA 71 -12.196 2.482 9.132 992 HB2 ALA 71 HB2 ALA 71 -12.921 3.975 9.729 993 HB3 ALA 71 HB3 ALA 71 -11.593 3.223 10.621 994 H THR 72 HN THR 72 -8.598 4.885 8.378 995 HA THR 72 HA THR 72 -7.350 2.378 8.531 996 HB THR 72 HB THR 72 -8.552 1.812 6.550 997 HG1 THR 72 HG1 THR 72 -6.854 1.239 5.300 998 HG21 THR 72 HG21 THR 72 -7.663 3.368 4.510 999 HG22 THR 72 HG22 THR 72 -7.923 4.546 5.788 1000 HG23 THR 72 HG23 THR 72 -9.242 3.496 5.275 1001 H TRP 73 HN TRP 73 -7.320 5.672 7.435 1002 HA TRP 73 HA TRP 73 -4.414 5.643 7.162 1003 HB2 TRP 73 HB2 TRP 73 -6.232 8.018 6.827 1004 HB3 TRP 73 HB1 TRP 73 -4.602 7.802 6.198 1005 HD1 TRP 73 HD1 TRP 73 -7.245 8.456 4.448 1006 HE1 TRP 73 HE1 TRP 73 -7.790 6.918 2.475 1007 HE3 TRP 73 HE3 TRP 73 -4.645 4.327 5.882 1008 HZ2 TRP 73 HZ2 TRP 73 -7.166 4.310 1.614 1009 HZ3 TRP 73 HZ3 TRP 73 -4.653 2.347 4.432 1010 HH2 TRP 73 HH2 TRP 73 -5.905 2.331 2.348 1011 H ASP 74 HN ASP 74 -5.567 5.229 9.800 1012 HA ASP 74 HA ASP 74 -4.175 7.401 11.138 1013 HB2 ASP 74 HB2 ASP 74 -6.765 7.800 10.949 1014 HB3 ASP 74 HB1 ASP 74 -6.841 6.631 12.264 1015 H LEU 75 HN LEU 75 -3.564 4.631 10.731 1016 HA LEU 75 HA LEU 75 -3.268 3.887 13.530 1017 HB2 LEU 75 HB2 LEU 75 -3.635 1.482 12.960 1018 HB3 LEU 75 HB1 LEU 75 -5.064 2.491 12.940 1019 HG LEU 75 HG LEU 75 -5.035 0.856 11.109 1020 HD11 LEU 75 HD11 LEU 75 -6.025 3.244 10.953 1021 HD12 LEU 75 HD12 LEU 75 -5.878 2.275 9.487 1022 HD13 LEU 75 HD13 LEU 75 -4.698 3.532 9.836 1023 HD21 LEU 75 HD21 LEU 75 -3.006 2.269 9.549 1024 HD22 LEU 75 HD22 LEU 75 -3.316 0.536 9.714 1025 HD23 LEU 75 HD23 LEU 75 -2.374 1.382 10.936 1026 H ASP 76 HN ASP 76 -2.049 3.880 10.307 1027 HA ASP 76 HA ASP 76 0.416 2.568 11.179 1028 HB2 ASP 76 HB2 ASP 76 -1.081 2.188 8.906 1029 HB3 ASP 76 HB1 ASP 76 0.182 3.276 8.339 1030 H LEU 77 HN LEU 77 1.952 3.809 8.989 1031 HA LEU 77 HA LEU 77 3.289 5.606 8.616 1032 HB2 LEU 77 HB2 LEU 77 0.724 6.858 9.465 1033 HB3 LEU 77 HB1 LEU 77 2.149 7.879 9.419 1034 HG LEU 77 HG LEU 77 2.213 6.550 6.980 1035 HD11 LEU 77 HD11 LEU 77 -0.173 5.868 7.593 1036 HD12 LEU 77 HD12 LEU 77 0.087 6.615 6.016 1037 HD13 LEU 77 HD13 LEU 77 -0.585 7.565 7.342 1038 HD21 LEU 77 HD21 LEU 77 2.843 8.737 6.883 1039 HD22 LEU 77 HD22 LEU 77 1.537 9.277 7.938 1040 HD23 LEU 77 HD23 LEU 77 1.203 8.886 6.251 1041 H LEU 78 HN LEU 78 4.170 4.274 10.662 1042 HA LEU 78 HA LEU 78 5.549 6.122 12.242 1043 HB2 LEU 78 HB2 LEU 78 4.492 5.264 14.468 1044 HB3 LEU 78 HB1 LEU 78 3.771 6.606 13.601 1045 HG LEU 78 HG LEU 78 2.263 4.783 12.519 1046 HD11 LEU 78 HD11 LEU 78 3.316 2.804 13.253 1047 HD12 LEU 78 HD12 LEU 78 1.826 2.939 14.187 1048 HD13 LEU 78 HD13 LEU 78 3.371 3.364 14.925 1049 HD21 LEU 78 HD21 LEU 78 1.886 6.578 14.478 1050 HD22 LEU 78 HD22 LEU 78 1.567 5.090 15.369 1051 HD23 LEU 78 HD23 LEU 78 0.633 5.468 13.922 1052 H LEU 79 HN LEU 79 6.932 4.468 11.093 1053 HA LEU 79 HA LEU 79 7.350 2.148 12.860 1054 HB2 LEU 79 HB2 LEU 79 8.233 2.085 10.011 1055 HB3 LEU 79 HB1 LEU 79 7.811 0.759 11.076 1056 HG LEU 79 HG LEU 79 5.397 1.855 10.896 1057 HD11 LEU 79 HD11 LEU 79 5.190 2.486 8.393 1058 HD12 LEU 79 HD12 LEU 79 6.907 2.867 8.523 1059 HD13 LEU 79 HD13 LEU 79 5.739 3.701 9.547 1060 HD21 LEU 79 HD21 LEU 79 4.961 0.308 8.997 1061 HD22 LEU 79 HD22 LEU 79 5.857 -0.427 10.326 1062 HD23 LEU 79 HD23 LEU 79 6.701 0.061 8.856 1063 H THR 80 HN THR 80 9.717 1.229 12.156 1064 HA THR 80 HA THR 80 11.934 1.512 12.596 1065 HB THR 80 HB THR 80 12.967 3.492 11.310 1066 HG1 THR 80 HG1 THR 80 10.895 4.625 11.236 1067 HG21 THR 80 HG21 THR 80 12.751 2.436 9.173 1068 HG22 THR 80 HG22 THR 80 11.305 1.575 9.699 1069 HG23 THR 80 HG23 THR 80 12.870 1.191 10.415 1070 H ASN 81 HN ASN 81 13.644 3.401 13.177 1071 HA ASN 81 HA ASN 81 12.400 4.950 15.355 1072 HB2 ASN 81 HB2 ASN 81 15.206 3.824 15.340 1073 HB3 ASN 81 HB1 ASN 81 14.385 4.611 16.684 1074 HD21 ASN 81 HD21 ASN 81 15.414 2.279 17.260 1075 HD22 ASN 81 HD22 ASN 81 14.216 1.038 17.354 1076 H PHE 82 HN PHE 82 15.553 4.883 13.685 1077 HA PHE 82 HA PHE 82 15.247 7.381 12.425 1078 HB2 PHE 82 HB2 PHE 82 16.733 8.763 13.800 1079 HB3 PHE 82 HB1 PHE 82 15.318 8.257 14.716 1080 HD1 PHE 82 HD2 PHE 82 15.630 6.077 16.134 1081 HD2 PHE 82 HD1 PHE 82 18.816 8.532 14.744 1082 HE1 PHE 82 HE2 PHE 82 17.092 5.169 17.893 1083 HE2 PHE 82 HE1 PHE 82 20.284 7.628 16.500 1084 HZ PHE 82 HZ PHE 82 19.422 5.945 18.078 1085 H SER 83 HN SER 83 17.551 5.174 13.960 1086 HA SER 83 HA SER 83 19.149 5.262 11.497 1087 HB2 SER 83 HB2 SER 83 21.199 5.427 12.663 1088 HB3 SER 83 HB1 SER 83 20.152 6.622 13.429 1089 HG SER 83 HG SER 83 19.832 5.221 15.133 1090 H GLY 84 HN GLY 84 18.894 3.536 14.614 1091 HA2 GLY 84 HA2 GLY 84 19.240 1.017 13.107 1092 HA3 GLY 84 HA1 GLY 84 19.793 1.254 14.757 1093 HA PRO 85 HA PRO 85 15.486 -0.681 14.664 1094 HB2 PRO 85 HB2 PRO 85 16.131 -3.016 15.886 1095 HB3 PRO 85 HB1 PRO 85 16.201 -2.801 14.134 1096 HG2 PRO 85 HG2 PRO 85 18.416 -2.694 16.145 1097 HG3 PRO 85 HG1 PRO 85 18.389 -3.470 14.550 1098 HD2 PRO 85 HD2 PRO 85 19.555 -1.065 14.981 1099 HD3 PRO 85 HD1 PRO 85 18.782 -1.488 13.440 Start of MODEL 20 1 H2 PRO 1 HT1 PRO 1 2.524 -14.320 9.298 2 H3 PRO 1 HT2 PRO 1 3.939 -14.885 9.916 3 HA PRO 1 HA PRO 1 4.195 -15.475 7.923 4 HB2 PRO 1 HB2 PRO 1 3.023 -17.973 7.961 5 HB3 PRO 1 HB1 PRO 1 4.554 -17.561 8.745 6 HG2 PRO 1 HG2 PRO 1 2.093 -18.256 10.007 7 HG3 PRO 1 HG1 PRO 1 3.600 -17.747 10.784 8 HD2 PRO 1 HD2 PRO 1 1.181 -16.135 10.102 9 HD3 PRO 1 HD1 PRO 1 2.320 -15.946 11.451 10 H SER 2 HN SER 2 1.801 -13.884 7.932 11 HA SER 2 HA SER 2 0.055 -15.270 6.031 12 HB2 SER 2 HB2 SER 2 -0.310 -13.053 7.957 13 HB3 SER 2 HB1 SER 2 -1.180 -12.892 6.431 14 HG SER 2 HG SER 2 -2.469 -14.452 7.011 15 H HIS 3 HN HIS 3 0.711 -15.084 3.995 16 HA HIS 3 HA HIS 3 1.565 -12.435 3.038 17 HB2 HIS 3 HB2 HIS 3 2.516 -15.122 2.033 18 HB3 HIS 3 HB1 HIS 3 3.033 -13.552 1.430 19 HD1 HIS 3 HD1 HIS 3 2.897 -15.081 4.924 20 HD2 HIS 3 HD2 HIS 3 5.501 -13.057 2.396 21 HE1 HIS 3 HE1 HIS 3 5.023 -14.796 6.236 22 HE2 HIS 3 HE2 HIS 3 6.611 -13.644 4.656 23 H SER 4 HN SER 4 0.014 -15.464 2.180 24 HA SER 4 HA SER 4 -1.091 -14.294 -0.229 25 HB2 SER 4 HB2 SER 4 -1.800 -16.999 0.895 26 HB3 SER 4 HB1 SER 4 -1.934 -16.437 -0.774 27 HG SER 4 HG SER 4 0.351 -17.196 0.680 28 H GLY 5 HN GLY 5 -3.030 -13.491 -0.465 29 HA2 GLY 5 HA2 GLY 5 -5.225 -14.115 1.292 30 HA3 GLY 5 HA1 GLY 5 -4.593 -12.483 1.496 31 H ALA 6 HN ALA 6 -7.059 -12.354 0.744 32 HA ALA 6 HA ALA 6 -7.099 -12.305 -2.186 33 HB1 ALA 6 HB1 ALA 6 -9.579 -11.960 -1.876 34 HB2 ALA 6 HB2 ALA 6 -9.320 -12.289 -0.162 35 HB3 ALA 6 HB3 ALA 6 -8.940 -13.523 -1.366 36 H ALA 7 HN ALA 7 -7.459 -10.497 -3.340 37 HA ALA 7 HA ALA 7 -7.953 -7.986 -1.956 38 HB1 ALA 7 HB1 ALA 7 -5.406 -8.589 -2.295 39 HB2 ALA 7 HB2 ALA 7 -5.999 -6.942 -2.497 40 HB3 ALA 7 HB3 ALA 7 -5.724 -7.959 -3.911 41 H ILE 8 HN ILE 8 -8.672 -6.267 -3.343 42 HA ILE 8 HA ILE 8 -9.319 -7.138 -6.070 43 HB ILE 8 HB ILE 8 -11.249 -5.798 -4.176 44 HG12 ILE 8 HG12 ILE 8 -11.790 -8.365 -5.582 45 HG13 ILE 8 HG11 ILE 8 -10.697 -8.397 -4.200 46 HG21 ILE 8 HG21 ILE 8 -11.871 -4.864 -6.178 47 HG22 ILE 8 HG22 ILE 8 -12.756 -6.387 -6.282 48 HG23 ILE 8 HG23 ILE 8 -11.214 -6.203 -7.120 49 HD11 ILE 8 HD11 ILE 8 -13.603 -7.910 -4.313 50 HD12 ILE 8 HD12 ILE 8 -12.678 -6.994 -3.121 51 HD13 ILE 8 HD13 ILE 8 -12.636 -8.758 -3.106 52 H PHE 9 HN PHE 9 -9.276 -5.602 -7.623 53 HA PHE 9 HA PHE 9 -8.839 -2.816 -6.861 54 HB2 PHE 9 HB2 PHE 9 -6.595 -3.767 -7.012 55 HB3 PHE 9 HB1 PHE 9 -6.950 -4.397 -8.617 56 HD1 PHE 9 HD2 PHE 9 -7.317 -2.820 -10.496 57 HD2 PHE 9 HD1 PHE 9 -5.903 -1.536 -6.695 58 HE1 PHE 9 HE2 PHE 9 -6.515 -0.721 -11.507 59 HE2 PHE 9 HE1 PHE 9 -5.102 0.566 -7.693 60 HZ PHE 9 HZ PHE 9 -5.406 0.975 -10.105 61 H GLU 10 HN GLU 10 -9.657 -1.365 -8.295 62 HA GLU 10 HA GLU 10 -11.078 -0.617 -9.909 63 HB2 GLU 10 HB2 GLU 10 -8.912 -2.084 -11.246 64 HB3 GLU 10 HB1 GLU 10 -10.342 -1.843 -12.238 65 HG2 GLU 10 HG2 GLU 10 -10.232 0.549 -11.853 66 HG3 GLU 10 HG1 GLU 10 -8.825 0.327 -10.813 67 H LYS 11 HN LYS 11 -12.154 -2.721 -8.433 68 HA LYS 11 HA LYS 11 -13.985 -4.065 -8.426 69 HB2 LYS 11 HB2 LYS 11 -14.516 -3.657 -11.331 70 HB3 LYS 11 HB1 LYS 11 -15.641 -3.705 -9.982 71 HG2 LYS 11 HG2 LYS 11 -14.537 -1.463 -9.299 72 HG3 LYS 11 HG1 LYS 11 -13.975 -1.430 -10.973 73 HD2 LYS 11 HD2 LYS 11 -16.832 -2.062 -10.573 74 HD3 LYS 11 HD1 LYS 11 -16.339 -0.417 -10.167 75 HE2 LYS 11 HE2 LYS 11 -15.803 -1.800 -12.794 76 HE3 LYS 11 HE1 LYS 11 -17.094 -0.635 -12.504 77 HZ1 LYS 11 HZ1 LYS 11 -15.418 0.643 -13.416 78 HZ2 LYS 11 HZ2 LYS 11 -14.184 -0.180 -12.604 79 HZ3 LYS 11 HZ3 LYS 11 -15.184 0.890 -11.759 80 H VAL 12 HN VAL 12 -11.236 -4.909 -9.516 81 HA VAL 12 HA VAL 12 -12.141 -7.400 -10.811 82 HB VAL 12 HB VAL 12 -9.361 -6.224 -10.955 83 HG11 VAL 12 HG11 VAL 12 -8.769 -8.003 -12.204 84 HG12 VAL 12 HG12 VAL 12 -10.342 -8.104 -12.996 85 HG13 VAL 12 HG13 VAL 12 -10.123 -8.779 -11.382 86 HG21 VAL 12 HG21 VAL 12 -11.549 -5.117 -12.156 87 HG22 VAL 12 HG22 VAL 12 -10.969 -6.222 -13.402 88 HG23 VAL 12 HG23 VAL 12 -9.893 -4.986 -12.748 89 H SER 13 HN SER 13 -12.108 -9.077 -9.447 90 HA SER 13 HA SER 13 -10.518 -8.904 -7.040 91 HB2 SER 13 HB2 SER 13 -11.665 -11.073 -6.459 92 HB3 SER 13 HB1 SER 13 -12.743 -9.701 -6.714 93 HG SER 13 HG SER 13 -13.679 -11.125 -7.987 94 H GLY 14 HN GLY 14 -9.100 -10.441 -6.297 95 HA2 GLY 14 HA2 GLY 14 -8.111 -12.596 -7.878 96 HA3 GLY 14 HA1 GLY 14 -7.059 -11.188 -7.980 97 H ILE 15 HN ILE 15 -5.720 -13.116 -6.948 98 HA ILE 15 HA ILE 15 -6.043 -12.974 -4.026 99 HB ILE 15 HB ILE 15 -4.188 -14.924 -5.342 100 HG12 ILE 15 HG12 ILE 15 -6.370 -16.467 -4.970 101 HG13 ILE 15 HG11 ILE 15 -7.154 -14.956 -5.421 102 HG21 ILE 15 HG21 ILE 15 -5.621 -14.670 -2.732 103 HG22 ILE 15 HG22 ILE 15 -3.913 -14.997 -3.048 104 HG23 ILE 15 HG23 ILE 15 -5.117 -16.261 -3.303 105 HD11 ILE 15 HD11 ILE 15 -6.523 -15.129 -7.560 106 HD12 ILE 15 HD12 ILE 15 -6.305 -16.835 -7.167 107 HD13 ILE 15 HD13 ILE 15 -4.921 -15.742 -7.147 108 H ILE 16 HN ILE 16 -4.538 -12.073 -2.820 109 HA ILE 16 HA ILE 16 -2.227 -10.876 -4.165 110 HB ILE 16 HB ILE 16 -3.763 -9.314 -3.123 111 HG12 ILE 16 HG12 ILE 16 -1.476 -9.289 -1.213 112 HG13 ILE 16 HG11 ILE 16 -1.129 -9.156 -2.935 113 HG21 ILE 16 HG21 ILE 16 -3.258 -10.865 -0.593 114 HG22 ILE 16 HG22 ILE 16 -4.786 -10.704 -1.463 115 HG23 ILE 16 HG23 ILE 16 -4.070 -9.302 -0.665 116 HD11 ILE 16 HD11 ILE 16 -1.382 -6.965 -2.543 117 HD12 ILE 16 HD12 ILE 16 -2.356 -7.228 -1.095 118 HD13 ILE 16 HD13 ILE 16 -3.101 -7.338 -2.693 119 H ALA 17 HN ALA 17 -0.221 -11.618 -3.699 120 HA ALA 17 HA ALA 17 0.214 -12.995 -1.132 121 HB1 ALA 17 HB1 ALA 17 1.244 -14.860 -2.149 122 HB2 ALA 17 HB2 ALA 17 1.253 -14.077 -3.732 123 HB3 ALA 17 HB3 ALA 17 -0.273 -14.601 -3.013 124 H ILE 18 HN ILE 18 2.287 -12.933 -0.294 125 HA ILE 18 HA ILE 18 4.089 -10.977 -1.544 126 HB ILE 18 HB ILE 18 4.227 -12.082 1.262 127 HG12 ILE 18 HG12 ILE 18 3.349 -9.294 0.657 128 HG13 ILE 18 HG11 ILE 18 2.178 -10.599 0.478 129 HG21 ILE 18 HG21 ILE 18 5.533 -9.808 1.451 130 HG22 ILE 18 HG22 ILE 18 5.780 -10.065 -0.276 131 HG23 ILE 18 HG23 ILE 18 6.333 -11.274 0.883 132 HD11 ILE 18 HD11 ILE 18 1.775 -10.105 2.634 133 HD12 ILE 18 HD12 ILE 18 3.391 -9.453 2.903 134 HD13 ILE 18 HD13 ILE 18 3.134 -11.198 2.898 135 H ASN 19 HN ASN 19 6.221 -11.443 -1.956 136 HA ASN 19 HA ASN 19 7.025 -14.272 -1.738 137 HB2 ASN 19 HB2 ASN 19 7.098 -12.407 -4.056 138 HB3 ASN 19 HB1 ASN 19 8.432 -13.542 -3.875 139 HD21 ASN 19 HD21 ASN 19 8.057 -15.734 -4.100 140 HD22 ASN 19 HD22 ASN 19 6.602 -16.359 -4.790 141 H GLU 20 HN GLU 20 8.562 -14.425 -0.287 142 HA GLU 20 HA GLU 20 10.593 -12.308 -0.154 143 HB2 GLU 20 HB2 GLU 20 9.103 -13.152 1.901 144 HB3 GLU 20 HB1 GLU 20 10.379 -14.357 1.996 145 HG2 GLU 20 HG2 GLU 20 11.878 -12.150 1.798 146 HG3 GLU 20 HG1 GLU 20 10.449 -11.466 2.572 147 H ASP 21 HN ASP 21 10.453 -14.461 -2.068 148 HA ASP 21 HA ASP 21 12.756 -16.122 -1.325 149 HB2 ASP 21 HB2 ASP 21 10.663 -16.376 -3.482 150 HB3 ASP 21 HB1 ASP 21 12.131 -17.350 -3.483 151 H VAL 22 HN VAL 22 11.750 -13.545 -3.406 152 HA VAL 22 HA VAL 22 14.225 -13.724 -4.971 153 HB VAL 22 HB VAL 22 12.909 -11.476 -5.888 154 HG11 VAL 22 HG11 VAL 22 12.209 -14.041 -7.175 155 HG12 VAL 22 HG12 VAL 22 13.925 -13.702 -6.957 156 HG13 VAL 22 HG13 VAL 22 12.912 -12.578 -7.863 157 HG21 VAL 22 HG21 VAL 22 10.827 -13.584 -5.322 158 HG22 VAL 22 HG22 VAL 22 10.591 -12.111 -6.264 159 HG23 VAL 22 HG23 VAL 22 10.934 -12.008 -4.537 160 H SER 23 HN SER 23 15.354 -11.574 -5.401 161 HA SER 23 HA SER 23 16.426 -10.561 -3.077 162 HB2 SER 23 HB2 SER 23 16.631 -8.430 -4.862 163 HB3 SER 23 HB1 SER 23 17.791 -9.741 -4.654 164 HG SER 23 HG SER 23 17.077 -9.493 -6.836 165 HA PRO 24 HA PRO 24 13.509 -6.838 -2.917 166 HB2 PRO 24 HB2 PRO 24 11.853 -6.216 -4.919 167 HB3 PRO 24 HB1 PRO 24 13.569 -5.774 -4.982 168 HG2 PRO 24 HG2 PRO 24 12.151 -8.050 -6.314 169 HG3 PRO 24 HG1 PRO 24 13.410 -6.984 -6.963 170 HD2 PRO 24 HD2 PRO 24 13.882 -9.513 -5.985 171 HD3 PRO 24 HD1 PRO 24 15.096 -8.221 -6.043 172 H ALA 25 HN ALA 25 12.568 -8.427 -1.465 173 HA ALA 25 HA ALA 25 10.584 -10.232 -1.908 174 HB1 ALA 25 HB1 ALA 25 9.634 -9.404 0.372 175 HB2 ALA 25 HB2 ALA 25 11.085 -8.402 0.394 176 HB3 ALA 25 HB3 ALA 25 11.226 -10.158 0.301 177 H GLU 26 HN GLU 26 9.124 -9.814 -3.433 178 HA GLU 26 HA GLU 26 7.440 -7.432 -3.109 179 HB2 GLU 26 HB2 GLU 26 6.967 -7.796 -5.587 180 HB3 GLU 26 HB1 GLU 26 8.566 -7.199 -5.133 181 HG2 GLU 26 HG2 GLU 26 9.609 -9.104 -5.783 182 HG3 GLU 26 HG1 GLU 26 8.233 -10.132 -5.386 183 H LEU 27 HN LEU 27 5.225 -7.692 -4.179 184 HA LEU 27 HA LEU 27 4.111 -10.318 -3.595 185 HB2 LEU 27 HB2 LEU 27 3.408 -9.249 -1.687 186 HB3 LEU 27 HB1 LEU 27 3.427 -7.672 -2.443 187 HG LEU 27 HG LEU 27 1.328 -9.569 -3.345 188 HD11 LEU 27 HD11 LEU 27 1.723 -8.932 -0.577 189 HD12 LEU 27 HD12 LEU 27 0.476 -9.927 -1.328 190 HD13 LEU 27 HD13 LEU 27 0.235 -8.188 -1.160 191 HD21 LEU 27 HD21 LEU 27 1.864 -7.037 -3.971 192 HD22 LEU 27 HD22 LEU 27 0.833 -6.754 -2.568 193 HD23 LEU 27 HD23 LEU 27 0.221 -7.678 -3.940 194 H THR 28 HN THR 28 2.596 -11.019 -5.068 195 HA THR 28 HA THR 28 1.829 -9.034 -7.095 196 HB THR 28 HB THR 28 2.601 -11.899 -7.521 197 HG1 THR 28 HG1 THR 28 4.362 -11.102 -8.311 198 HG21 THR 28 HG21 THR 28 2.130 -11.655 -9.856 199 HG22 THR 28 HG22 THR 28 1.564 -10.004 -9.598 200 HG23 THR 28 HG23 THR 28 0.658 -11.362 -8.929 201 H TRP 29 HN TRP 29 -0.117 -9.175 -8.036 202 HA TRP 29 HA TRP 29 -2.155 -10.618 -6.489 203 HB2 TRP 29 HB2 TRP 29 -2.183 -8.133 -6.460 204 HB3 TRP 29 HB1 TRP 29 -2.400 -8.140 -8.204 205 HD1 TRP 29 HD1 TRP 29 -4.263 -9.245 -5.006 206 HE1 TRP 29 HE1 TRP 29 -6.785 -9.125 -5.495 207 HE3 TRP 29 HE3 TRP 29 -4.068 -8.059 -9.976 208 HZ2 TRP 29 HZ2 TRP 29 -8.466 -8.606 -7.676 209 HZ3 TRP 29 HZ3 TRP 29 -6.209 -7.772 -11.185 210 HH2 TRP 29 HH2 TRP 29 -8.348 -8.043 -10.061 211 H ARG 30 HN ARG 30 -3.469 -12.060 -7.502 212 HA ARG 30 HA ARG 30 -3.391 -12.144 -10.450 213 HB2 ARG 30 HB2 ARG 30 -2.110 -13.979 -9.058 214 HB3 ARG 30 HB1 ARG 30 -3.720 -14.661 -8.873 215 HG2 ARG 30 HG2 ARG 30 -2.672 -13.940 -11.580 216 HG3 ARG 30 HG1 ARG 30 -2.233 -15.467 -10.813 217 HD2 ARG 30 HD2 ARG 30 -4.647 -15.968 -10.545 218 HD3 ARG 30 HD1 ARG 30 -5.018 -14.493 -11.437 219 HE ARG 30 HE ARG 30 -4.138 -16.997 -12.523 220 HH11 ARG 30 HH11 ARG 30 -4.220 -13.546 -13.038 221 HH12 ARG 30 HH12 ARG 30 -4.075 -13.673 -14.759 222 HH21 ARG 30 HH21 ARG 30 -3.947 -17.166 -14.787 223 HH22 ARG 30 HH22 ARG 30 -3.921 -15.728 -15.752 224 H SER 31 HN SER 31 -5.342 -11.851 -11.319 225 HA SER 31 HA SER 31 -7.704 -11.672 -9.859 226 HB2 SER 31 HB2 SER 31 -7.585 -12.341 -12.799 227 HB3 SER 31 HB1 SER 31 -8.830 -11.432 -11.942 228 HG SER 31 HG SER 31 -7.358 -10.093 -13.116 229 H THR 32 HN THR 32 -9.319 -13.054 -9.351 230 HA THR 32 HA THR 32 -8.770 -15.888 -9.635 231 HB THR 32 HB THR 32 -11.194 -15.685 -8.337 232 HG1 THR 32 HG1 THR 32 -11.332 -13.623 -7.897 233 HG21 THR 32 HG21 THR 32 -8.445 -16.175 -7.571 234 HG22 THR 32 HG22 THR 32 -9.934 -16.939 -7.013 235 HG23 THR 32 HG23 THR 32 -9.388 -15.432 -6.278 236 H ASP 33 HN ASP 33 -10.876 -13.476 -10.915 237 HA ASP 33 HA ASP 33 -11.823 -15.298 -12.925 238 HB2 ASP 33 HB2 ASP 33 -13.406 -15.201 -10.774 239 HB3 ASP 33 HB1 ASP 33 -14.005 -13.768 -11.605 240 H GLY 34 HN GLY 34 -10.202 -12.827 -12.668 241 HA2 GLY 34 HA2 GLY 34 -11.818 -11.059 -14.398 242 HA3 GLY 34 HA1 GLY 34 -10.574 -10.478 -13.301 243 H ASP 35 HN ASP 35 -9.157 -13.133 -14.347 244 HA ASP 35 HA ASP 35 -7.506 -13.603 -15.821 245 HB2 ASP 35 HB2 ASP 35 -9.640 -13.330 -17.294 246 HB3 ASP 35 HB1 ASP 35 -8.840 -11.868 -17.862 247 H LYS 36 HN LYS 36 -6.309 -12.117 -14.311 248 HA LYS 36 HA LYS 36 -4.586 -10.470 -15.800 249 HB2 LYS 36 HB2 LYS 36 -5.573 -8.476 -15.719 250 HB3 LYS 36 HB1 LYS 36 -6.931 -9.159 -14.839 251 HG2 LYS 36 HG2 LYS 36 -5.643 -8.803 -12.731 252 HG3 LYS 36 HG1 LYS 36 -4.425 -7.956 -13.686 253 HD2 LYS 36 HD2 LYS 36 -6.681 -6.697 -14.504 254 HD3 LYS 36 HD1 LYS 36 -7.108 -7.092 -12.837 255 HE2 LYS 36 HE2 LYS 36 -5.451 -5.768 -11.955 256 HE3 LYS 36 HE1 LYS 36 -4.436 -5.897 -13.391 257 HZ1 LYS 36 HZ1 LYS 36 -7.004 -4.423 -13.400 258 HZ2 LYS 36 HZ2 LYS 36 -5.746 -4.339 -14.528 259 HZ3 LYS 36 HZ3 LYS 36 -5.540 -3.683 -12.983 260 H VAL 37 HN VAL 37 -2.873 -9.563 -14.485 261 HA VAL 37 HA VAL 37 -2.762 -10.480 -11.721 262 HB VAL 37 HB VAL 37 -1.846 -12.388 -12.797 263 HG11 VAL 37 HG11 VAL 37 -1.476 -11.521 -14.997 264 HG12 VAL 37 HG12 VAL 37 0.033 -12.220 -14.410 265 HG13 VAL 37 HG13 VAL 37 -0.183 -10.470 -14.417 266 HG21 VAL 37 HG21 VAL 37 0.810 -11.408 -12.308 267 HG22 VAL 37 HG22 VAL 37 -0.161 -12.530 -11.355 268 HG23 VAL 37 HG23 VAL 37 -0.298 -10.794 -11.082 269 H HIS 38 HN HIS 38 -1.867 -8.957 -10.464 270 HA HIS 38 HA HIS 38 -0.115 -6.974 -11.763 271 HB2 HIS 38 HB2 HIS 38 -2.513 -6.405 -10.674 272 HB3 HIS 38 HB1 HIS 38 -1.497 -6.236 -9.246 273 HD1 HIS 38 HD1 HIS 38 -2.006 -3.669 -9.263 274 HD2 HIS 38 HD2 HIS 38 0.055 -5.060 -12.592 275 HE1 HIS 38 HE1 HIS 38 -1.109 -1.616 -10.404 276 HE2 HIS 38 HE2 HIS 38 0.209 -2.488 -12.367 277 H THR 39 HN THR 39 1.880 -7.396 -11.232 278 HA THR 39 HA THR 39 2.617 -8.479 -8.591 279 HB THR 39 HB THR 39 4.180 -7.997 -11.152 280 HG1 THR 39 HG1 THR 39 3.889 -10.056 -11.509 281 HG21 THR 39 HG21 THR 39 5.182 -8.427 -8.479 282 HG22 THR 39 HG22 THR 39 6.047 -8.039 -9.967 283 HG23 THR 39 HG23 THR 39 5.663 -9.717 -9.582 284 H VAL 40 HN VAL 40 2.775 -6.902 -7.078 285 HA VAL 40 HA VAL 40 3.931 -4.312 -7.825 286 HB VAL 40 HB VAL 40 2.695 -5.063 -5.175 287 HG11 VAL 40 HG11 VAL 40 2.596 -2.290 -6.083 288 HG12 VAL 40 HG12 VAL 40 4.235 -2.902 -5.858 289 HG13 VAL 40 HG13 VAL 40 3.081 -2.957 -4.524 290 HG21 VAL 40 HG21 VAL 40 0.615 -4.255 -5.892 291 HG22 VAL 40 HG22 VAL 40 1.169 -5.275 -7.220 292 HG23 VAL 40 HG23 VAL 40 1.300 -3.521 -7.342 293 H VAL 41 HN VAL 41 6.101 -4.240 -7.666 294 HA VAL 41 HA VAL 41 7.506 -6.010 -5.936 295 HB VAL 41 HB VAL 41 8.769 -3.632 -7.253 296 HG11 VAL 41 HG11 VAL 41 10.740 -4.598 -6.737 297 HG12 VAL 41 HG12 VAL 41 10.155 -6.220 -7.101 298 HG13 VAL 41 HG13 VAL 41 9.801 -5.488 -5.536 299 HG21 VAL 41 HG21 VAL 41 9.225 -5.120 -9.183 300 HG22 VAL 41 HG22 VAL 41 7.512 -4.751 -8.984 301 HG23 VAL 41 HG23 VAL 41 8.142 -6.318 -8.475 302 H LEU 42 HN LEU 42 7.168 -5.721 -3.851 303 HA LEU 42 HA LEU 42 6.708 -3.444 -2.407 304 HB2 LEU 42 HB2 LEU 42 8.367 -5.809 -1.567 305 HB3 LEU 42 HB1 LEU 42 7.624 -4.655 -0.476 306 HG LEU 42 HG LEU 42 5.995 -6.335 -2.371 307 HD11 LEU 42 HD11 LEU 42 7.381 -7.160 0.045 308 HD12 LEU 42 HD12 LEU 42 6.556 -8.129 -1.176 309 HD13 LEU 42 HD13 LEU 42 5.638 -7.406 0.144 310 HD21 LEU 42 HD21 LEU 42 5.050 -4.247 -1.314 311 HD22 LEU 42 HD22 LEU 42 5.205 -5.070 0.239 312 HD23 LEU 42 HD23 LEU 42 4.157 -5.738 -1.013 313 H SER 43 HN SER 43 9.681 -4.516 -3.825 314 HA SER 43 HA SER 43 11.510 -3.077 -2.257 315 HB2 SER 43 HB2 SER 43 12.628 -4.550 -3.626 316 HB3 SER 43 HB1 SER 43 11.550 -4.259 -4.990 317 HG SER 43 HG SER 43 12.705 -2.536 -5.562 318 H THR 44 HN THR 44 9.870 -2.256 -5.249 319 HA THR 44 HA THR 44 10.837 0.424 -5.326 320 HB THR 44 HB THR 44 8.748 0.565 -6.945 321 HG1 THR 44 HG1 THR 44 7.798 -1.368 -6.452 322 HG21 THR 44 HG21 THR 44 11.224 -1.022 -7.541 323 HG22 THR 44 HG22 THR 44 10.949 0.695 -7.839 324 HG23 THR 44 HG23 THR 44 10.055 -0.515 -8.760 325 H ILE 45 HN ILE 45 8.326 -1.255 -3.690 326 HA ILE 45 HA ILE 45 6.775 1.162 -3.169 327 HB ILE 45 HB ILE 45 6.349 -1.600 -2.030 328 HG12 ILE 45 HG12 ILE 45 6.268 -1.621 -4.500 329 HG13 ILE 45 HG11 ILE 45 4.689 -1.932 -3.787 330 HG21 ILE 45 HG21 ILE 45 5.300 0.601 -1.050 331 HG22 ILE 45 HG22 ILE 45 4.343 -0.872 -1.206 332 HG23 ILE 45 HG23 ILE 45 4.190 0.411 -2.407 333 HD11 ILE 45 HD11 ILE 45 5.632 0.354 -5.395 334 HD12 ILE 45 HD12 ILE 45 4.495 0.707 -4.094 335 HD13 ILE 45 HD13 ILE 45 4.059 -0.443 -5.358 336 H ASP 46 HN ASP 46 8.015 2.467 -1.884 337 HA ASP 46 HA ASP 46 9.362 1.409 0.444 338 HB2 ASP 46 HB2 ASP 46 9.066 4.239 -0.576 339 HB3 ASP 46 HB1 ASP 46 10.061 3.766 0.798 340 H LYS 47 HN LYS 47 6.202 2.147 -0.113 341 HA LYS 47 HA LYS 47 5.734 2.547 2.732 342 HB2 LYS 47 HB2 LYS 47 5.397 4.632 0.750 343 HB3 LYS 47 HB1 LYS 47 3.876 4.269 1.556 344 HG2 LYS 47 HG2 LYS 47 4.595 5.731 3.084 345 HG3 LYS 47 HG1 LYS 47 5.567 4.379 3.670 346 HD2 LYS 47 HD2 LYS 47 7.030 6.241 3.460 347 HD3 LYS 47 HD1 LYS 47 7.388 5.156 2.114 348 HE2 LYS 47 HE2 LYS 47 5.706 6.606 0.798 349 HE3 LYS 47 HE1 LYS 47 5.941 7.781 2.092 350 HZ1 LYS 47 HZ1 LYS 47 7.768 6.946 -0.012 351 HZ2 LYS 47 HZ2 LYS 47 8.461 7.218 1.507 352 HZ3 LYS 47 HZ3 LYS 47 7.596 8.452 0.740 353 H LEU 48 HN LEU 48 3.778 1.807 3.464 354 HA LEU 48 HA LEU 48 1.736 0.926 1.632 355 HB2 LEU 48 HB2 LEU 48 1.795 -1.389 2.118 356 HB3 LEU 48 HB1 LEU 48 3.422 -0.934 1.659 357 HG LEU 48 HG LEU 48 3.693 -2.412 3.451 358 HD11 LEU 48 HD11 LEU 48 3.770 0.098 5.045 359 HD12 LEU 48 HD12 LEU 48 4.795 -0.044 3.619 360 HD13 LEU 48 HD13 LEU 48 4.945 -1.209 4.932 361 HD21 LEU 48 HD21 LEU 48 2.210 -1.244 5.590 362 HD22 LEU 48 HD22 LEU 48 2.073 -2.858 4.892 363 HD23 LEU 48 HD23 LEU 48 1.131 -1.526 4.225 364 H GLN 49 HN GLN 49 -0.234 1.077 2.571 365 HA GLN 49 HA GLN 49 -0.312 1.202 5.513 366 HB2 GLN 49 HB2 GLN 49 -2.069 2.882 3.739 367 HB3 GLN 49 HB1 GLN 49 -1.812 3.033 5.472 368 HG2 GLN 49 HG2 GLN 49 -0.483 4.725 4.797 369 HG3 GLN 49 HG1 GLN 49 0.692 3.418 4.665 370 HE21 GLN 49 HE21 GLN 49 -1.540 5.445 2.880 371 HE22 GLN 49 HE22 GLN 49 -0.782 5.254 1.340 372 H ALA 50 HN ALA 50 -1.812 0.034 6.496 373 HA ALA 50 HA ALA 50 -3.932 -1.193 4.854 374 HB1 ALA 50 HB1 ALA 50 -3.390 -2.728 7.214 375 HB2 ALA 50 HB2 ALA 50 -1.898 -2.475 6.309 376 HB3 ALA 50 HB3 ALA 50 -3.292 -3.213 5.522 377 H THR 51 HN THR 51 -5.886 -1.836 6.167 378 HA THR 51 HA THR 51 -6.518 0.391 7.923 379 HB THR 51 HB THR 51 -8.807 -0.170 7.617 380 HG1 THR 51 HG1 THR 51 -9.242 -2.211 7.564 381 HG21 THR 51 HG21 THR 51 -7.180 -0.442 5.126 382 HG22 THR 51 HG22 THR 51 -8.120 0.929 5.694 383 HG23 THR 51 HG23 THR 51 -8.938 -0.513 5.095 384 HA PRO 52 HA PRO 52 -6.182 -2.289 11.494 385 HB2 PRO 52 HB2 PRO 52 -5.871 -0.375 13.292 386 HB3 PRO 52 HB1 PRO 52 -4.622 -0.638 12.067 387 HG2 PRO 52 HG2 PRO 52 -6.720 1.479 12.213 388 HG3 PRO 52 HG1 PRO 52 -5.043 1.598 11.656 389 HD2 PRO 52 HD2 PRO 52 -7.324 1.272 10.035 390 HD3 PRO 52 HD1 PRO 52 -5.639 1.076 9.527 391 H ALA 53 HN ALA 53 -7.370 -2.511 13.561 392 HA ALA 53 HA ALA 53 -10.122 -2.540 13.261 393 HB1 ALA 53 HB1 ALA 53 -8.480 -3.628 15.032 394 HB2 ALA 53 HB2 ALA 53 -10.204 -3.435 15.346 395 HB3 ALA 53 HB3 ALA 53 -9.052 -2.278 16.012 396 H SER 54 HN SER 54 -8.365 0.248 13.438 397 HA SER 54 HA SER 54 -9.713 1.878 15.259 398 HB2 SER 54 HB2 SER 54 -7.597 2.415 14.002 399 HB3 SER 54 HB1 SER 54 -8.616 2.700 12.587 400 HG SER 54 HG SER 54 -8.454 4.162 14.991 401 H SER 55 HN SER 55 -10.462 0.843 12.062 402 HA SER 55 HA SER 55 -13.114 2.056 12.286 403 HB2 SER 55 HB2 SER 55 -11.174 3.121 10.713 404 HB3 SER 55 HB1 SER 55 -11.972 2.035 9.583 405 HG SER 55 HG SER 55 -13.985 3.070 10.403 406 H GLU 56 HN GLU 56 -14.530 1.174 10.379 407 HA GLU 56 HA GLU 56 -14.315 -1.725 10.516 408 HB2 GLU 56 HB2 GLU 56 -16.566 -0.090 9.350 409 HB3 GLU 56 HB1 GLU 56 -16.610 -1.783 9.825 410 HG2 GLU 56 HG2 GLU 56 -16.414 -1.198 12.141 411 HG3 GLU 56 HG1 GLU 56 -16.167 0.499 11.734 412 H LYS 57 HN LYS 57 -12.622 -0.034 8.680 413 HA LYS 57 HA LYS 57 -13.539 -1.015 6.100 414 HB2 LYS 57 HB2 LYS 57 -11.164 0.389 5.660 415 HB3 LYS 57 HB1 LYS 57 -12.795 0.940 5.333 416 HG2 LYS 57 HG2 LYS 57 -11.556 1.301 8.030 417 HG3 LYS 57 HG1 LYS 57 -11.243 2.430 6.716 418 HD2 LYS 57 HD2 LYS 57 -14.050 1.935 6.855 419 HD3 LYS 57 HD1 LYS 57 -13.470 2.359 8.463 420 HE2 LYS 57 HE2 LYS 57 -12.479 4.005 6.216 421 HE3 LYS 57 HE1 LYS 57 -14.181 4.179 6.627 422 HZ1 LYS 57 HZ1 LYS 57 -13.189 5.741 7.962 423 HZ2 LYS 57 HZ2 LYS 57 -11.813 4.803 8.253 424 HZ3 LYS 57 HZ3 LYS 57 -13.272 4.421 9.016 425 H MET 58 HN MET 58 -12.112 -2.131 4.678 426 HA MET 58 HA MET 58 -9.786 -3.398 5.922 427 HB2 MET 58 HB2 MET 58 -10.593 -5.569 4.754 428 HB3 MET 58 HB1 MET 58 -11.298 -5.122 6.302 429 HG2 MET 58 HG2 MET 58 -12.662 -4.156 3.861 430 HG3 MET 58 HG1 MET 58 -12.757 -5.879 4.221 431 HE1 MET 58 HE1 MET 58 -14.810 -6.667 5.161 432 HE2 MET 58 HE2 MET 58 -15.517 -5.320 4.263 433 HE3 MET 58 HE3 MET 58 -16.030 -5.641 5.920 434 H MET 59 HN MET 59 -8.335 -2.363 4.611 435 HA MET 59 HA MET 59 -8.149 -3.308 1.904 436 HB2 MET 59 HB2 MET 59 -8.243 -1.153 0.808 437 HB3 MET 59 HB1 MET 59 -9.733 -1.409 1.700 438 HG2 MET 59 HG2 MET 59 -7.724 -0.038 3.273 439 HG3 MET 59 HG1 MET 59 -8.111 0.809 1.782 440 HE1 MET 59 HE1 MET 59 -8.261 2.168 4.086 441 HE2 MET 59 HE2 MET 59 -9.605 2.033 5.223 442 HE3 MET 59 HE3 MET 59 -9.759 3.048 3.793 443 H LEU 60 HN LEU 60 -6.106 -3.097 1.017 444 HA LEU 60 HA LEU 60 -4.061 -2.005 2.834 445 HB2 LEU 60 HB2 LEU 60 -4.279 -4.548 1.465 446 HB3 LEU 60 HB1 LEU 60 -2.785 -3.736 1.049 447 HG LEU 60 HG LEU 60 -3.680 -4.267 3.881 448 HD11 LEU 60 HD11 LEU 60 -1.728 -5.803 2.165 449 HD12 LEU 60 HD12 LEU 60 -3.292 -6.377 2.740 450 HD13 LEU 60 HD13 LEU 60 -1.996 -6.052 3.892 451 HD21 LEU 60 HD21 LEU 60 -1.537 -3.556 4.537 452 HD22 LEU 60 HD22 LEU 60 -2.092 -2.351 3.377 453 HD23 LEU 60 HD23 LEU 60 -0.930 -3.582 2.883 454 H ARG 61 HN ARG 61 -2.637 -0.532 2.056 455 HA ARG 61 HA ARG 61 -2.841 0.141 -0.808 456 HB2 ARG 61 HB2 ARG 61 -3.842 1.867 0.610 457 HB3 ARG 61 HB1 ARG 61 -2.351 1.993 1.532 458 HG2 ARG 61 HG2 ARG 61 -1.652 3.557 0.135 459 HG3 ARG 61 HG1 ARG 61 -1.655 2.369 -1.169 460 HD2 ARG 61 HD2 ARG 61 -3.201 3.649 -2.143 461 HD3 ARG 61 HD1 ARG 61 -4.316 3.046 -0.919 462 HE ARG 61 HE ARG 61 -3.098 5.163 0.281 463 HH11 ARG 61 HH11 ARG 61 -4.844 4.733 -2.709 464 HH12 ARG 61 HH12 ARG 61 -5.446 6.356 -2.737 465 HH21 ARG 61 HH21 ARG 61 -3.888 7.299 0.247 466 HH22 ARG 61 HH22 ARG 61 -4.903 7.814 -1.059 467 H LEU 62 HN LEU 62 -0.981 0.589 -1.932 468 HA LEU 62 HA LEU 62 1.566 0.299 -0.490 469 HB2 LEU 62 HB2 LEU 62 0.996 -0.905 -3.196 470 HB3 LEU 62 HB1 LEU 62 2.457 -1.089 -2.246 471 HG LEU 62 HG LEU 62 1.267 -3.125 -2.053 472 HD11 LEU 62 HD11 LEU 62 0.276 -2.130 0.498 473 HD12 LEU 62 HD12 LEU 62 1.927 -1.619 0.143 474 HD13 LEU 62 HD13 LEU 62 1.517 -3.334 0.152 475 HD21 LEU 62 HD21 LEU 62 -0.961 -3.355 -2.053 476 HD22 LEU 62 HD22 LEU 62 -0.977 -1.667 -2.565 477 HD23 LEU 62 HD23 LEU 62 -1.193 -2.075 -0.862 478 H ILE 63 HN ILE 63 2.730 2.087 -0.754 479 HA ILE 63 HA ILE 63 2.213 3.822 -3.035 480 HB ILE 63 HB ILE 63 4.055 4.291 -0.692 481 HG12 ILE 63 HG12 ILE 63 1.658 3.991 -0.085 482 HG13 ILE 63 HG11 ILE 63 2.281 5.596 0.277 483 HG21 ILE 63 HG21 ILE 63 2.918 6.242 -2.691 484 HG22 ILE 63 HG22 ILE 63 4.564 5.608 -2.721 485 HG23 ILE 63 HG23 ILE 63 4.029 6.609 -1.371 486 HD11 ILE 63 HD11 ILE 63 0.964 6.601 -1.274 487 HD12 ILE 63 HD12 ILE 63 -0.060 5.220 -0.877 488 HD13 ILE 63 HD13 ILE 63 0.939 5.189 -2.331 489 H GLY 64 HN GLY 64 3.569 4.199 -4.652 490 HA2 GLY 64 HA2 GLY 64 5.891 2.441 -4.888 491 HA3 GLY 64 HA1 GLY 64 5.141 3.348 -6.192 492 H LYS 65 HN LYS 65 7.139 3.694 -3.289 493 HA LYS 65 HA LYS 65 8.726 5.222 -2.700 494 HB2 LYS 65 HB2 LYS 65 9.102 4.958 -5.670 495 HB3 LYS 65 HB1 LYS 65 10.131 6.022 -4.720 496 HG2 LYS 65 HG2 LYS 65 9.982 3.467 -3.447 497 HG3 LYS 65 HG1 LYS 65 10.410 3.257 -5.146 498 HD2 LYS 65 HD2 LYS 65 12.173 5.017 -4.815 499 HD3 LYS 65 HD1 LYS 65 11.822 4.945 -3.087 500 HE2 LYS 65 HE2 LYS 65 13.526 3.439 -3.167 501 HE3 LYS 65 HE1 LYS 65 12.181 2.352 -3.507 502 HZ1 LYS 65 HZ1 LYS 65 14.355 2.510 -5.022 503 HZ2 LYS 65 HZ2 LYS 65 13.384 3.646 -5.813 504 HZ3 LYS 65 HZ3 LYS 65 12.840 2.056 -5.624 505 H VAL 66 HN VAL 66 9.689 7.517 -3.487 506 HA VAL 66 HA VAL 66 7.570 9.260 -4.458 507 HB VAL 66 HB VAL 66 7.987 10.831 -2.490 508 HG11 VAL 66 HG11 VAL 66 6.066 8.978 -2.950 509 HG12 VAL 66 HG12 VAL 66 6.040 10.128 -1.614 510 HG13 VAL 66 HG13 VAL 66 6.630 8.487 -1.353 511 HG21 VAL 66 HG21 VAL 66 8.838 8.305 -1.092 512 HG22 VAL 66 HG22 VAL 66 8.811 9.949 -0.453 513 HG23 VAL 66 HG23 VAL 66 9.983 9.504 -1.693 514 H ASP 67 HN ASP 67 8.329 11.021 -5.509 515 HA ASP 67 HA ASP 67 11.193 11.645 -5.270 516 HB2 ASP 67 HB2 ASP 67 9.656 10.859 -7.680 517 HB3 ASP 67 HB1 ASP 67 10.794 12.187 -7.878 518 H GLU 68 HN GLU 68 10.717 13.470 -4.025 519 HA GLU 68 HA GLU 68 9.063 15.526 -5.242 520 HB2 GLU 68 HB2 GLU 68 9.135 16.634 -3.062 521 HB3 GLU 68 HB1 GLU 68 8.574 14.975 -2.916 522 HG2 GLU 68 HG2 GLU 68 10.808 14.293 -2.180 523 HG3 GLU 68 HG1 GLU 68 11.348 15.967 -2.301 524 H SER 69 HN SER 69 12.333 14.689 -4.816 525 HA SER 69 HA SER 69 13.625 17.112 -4.530 526 HB2 SER 69 HB2 SER 69 14.713 14.858 -4.549 527 HB3 SER 69 HB1 SER 69 14.556 14.851 -6.306 528 HG SER 69 HG SER 69 16.611 15.647 -5.320 529 H LYS 70 HN LYS 70 11.885 15.914 -7.251 530 HA LYS 70 HA LYS 70 13.059 17.779 -9.104 531 HB2 LYS 70 HB2 LYS 70 11.540 16.820 -10.744 532 HB3 LYS 70 HB1 LYS 70 12.380 15.548 -9.866 533 HG2 LYS 70 HG2 LYS 70 9.996 16.083 -8.458 534 HG3 LYS 70 HG1 LYS 70 9.579 15.975 -10.170 535 HD2 LYS 70 HD2 LYS 70 11.217 13.924 -8.686 536 HD3 LYS 70 HD1 LYS 70 9.478 13.798 -8.960 537 HE2 LYS 70 HE2 LYS 70 10.151 14.169 -11.461 538 HE3 LYS 70 HE1 LYS 70 11.730 13.609 -10.911 539 HZ1 LYS 70 HZ1 LYS 70 10.962 11.522 -10.535 540 HZ2 LYS 70 HZ2 LYS 70 9.887 11.954 -11.766 541 HZ3 LYS 70 HZ3 LYS 70 9.394 12.027 -10.150 542 H LYS 71 HN LYS 71 11.100 18.327 -6.635 543 HA LYS 71 HA LYS 71 8.810 19.563 -7.613 544 HB2 LYS 71 HB2 LYS 71 8.621 20.628 -5.498 545 HB3 LYS 71 HB1 LYS 71 9.371 19.066 -5.201 546 HG2 LYS 71 HG2 LYS 71 11.410 21.011 -5.661 547 HG3 LYS 71 HG1 LYS 71 10.289 21.616 -4.442 548 HD2 LYS 71 HD2 LYS 71 10.541 19.222 -3.431 549 HD3 LYS 71 HD1 LYS 71 12.023 19.181 -4.389 550 HE2 LYS 71 HE2 LYS 71 13.042 20.797 -3.135 551 HE3 LYS 71 HE1 LYS 71 11.519 21.573 -2.701 552 HZ1 LYS 71 HZ1 LYS 71 12.808 19.218 -1.491 553 HZ2 LYS 71 HZ2 LYS 71 11.133 19.418 -1.367 554 HZ3 LYS 71 HZ3 LYS 71 12.173 20.594 -0.737 555 H ARG 72 HN ARG 72 8.775 22.173 -6.760 556 HA ARG 72 HA ARG 72 10.888 23.592 -8.172 557 HB2 ARG 72 HB2 ARG 72 8.796 24.944 -9.212 558 HB3 ARG 72 HB1 ARG 72 9.626 23.642 -10.050 559 HG2 ARG 72 HG2 ARG 72 7.214 23.155 -8.329 560 HG3 ARG 72 HG1 ARG 72 7.094 23.576 -10.038 561 HD2 ARG 72 HD2 ARG 72 8.926 21.574 -10.112 562 HD3 ARG 72 HD1 ARG 72 7.922 21.065 -8.755 563 HE ARG 72 HE ARG 72 6.134 21.704 -10.710 564 HH11 ARG 72 HH11 ARG 72 8.877 19.555 -10.515 565 HH12 ARG 72 HH12 ARG 72 8.230 18.423 -11.655 566 HH21 ARG 72 HH21 ARG 72 5.282 20.217 -12.210 567 HH22 ARG 72 HH22 ARG 72 6.189 18.799 -12.618 568 H LYS 73 HN LYS 73 7.642 24.722 -7.318 569 HA LYS 73 HA LYS 73 8.259 25.771 -4.795 570 HB2 LYS 73 HB2 LYS 73 8.669 28.070 -5.199 571 HB3 LYS 73 HB1 LYS 73 9.767 27.194 -6.254 572 HG2 LYS 73 HG2 LYS 73 7.224 28.606 -7.015 573 HG3 LYS 73 HG1 LYS 73 8.874 29.007 -7.496 574 HD2 LYS 73 HD2 LYS 73 9.008 26.858 -8.706 575 HD3 LYS 73 HD1 LYS 73 7.327 26.535 -8.275 576 HE2 LYS 73 HE2 LYS 73 6.886 27.496 -10.260 577 HE3 LYS 73 HE1 LYS 73 7.101 29.000 -9.366 578 HZ1 LYS 73 HZ1 LYS 73 8.400 29.110 -11.340 579 HZ2 LYS 73 HZ2 LYS 73 9.121 27.610 -11.037 580 HZ3 LYS 73 HZ3 LYS 73 9.473 28.933 -10.043 581 H ASP 74 HN ASP 74 6.703 28.106 -4.814 582 HA ASP 74 HA ASP 74 4.219 27.659 -6.132 583 HB2 ASP 74 HB2 ASP 74 4.590 26.239 -3.745 584 HB3 ASP 74 HB1 ASP 74 3.572 27.608 -3.311 585 H ASN 75 HN ASN 75 4.894 29.006 -2.911 586 HA ASN 75 HA ASN 75 4.500 31.674 -3.997 587 HB2 ASN 75 HB2 ASN 75 2.883 30.292 -1.958 588 HB3 ASN 75 HB1 ASN 75 3.302 31.965 -1.601 589 HD21 ASN 75 HD21 ASN 75 3.202 33.205 -3.957 590 HD22 ASN 75 HD22 ASN 75 1.620 33.111 -4.645 591 H GLU 76 HN GLU 76 4.678 30.923 -0.603 592 HA GLU 76 HA GLU 76 6.955 32.614 -0.281 593 HB2 GLU 76 HB2 GLU 76 5.615 30.835 1.760 594 HB3 GLU 76 HB1 GLU 76 6.724 32.157 2.098 595 HG2 GLU 76 HG2 GLU 76 4.812 33.416 0.633 596 HG3 GLU 76 HG1 GLU 76 3.864 32.202 1.489 597 H GLY 77 HN GLY 77 8.053 30.988 -1.900 598 HA2 GLY 77 HA2 GLY 77 9.828 29.566 -2.212 599 HA3 GLY 77 HA1 GLY 77 10.148 29.731 -0.492 600 H ASN 78 HN ASN 78 7.029 28.592 -1.382 601 HA ASN 78 HA ASN 78 7.363 26.150 0.001 602 HB2 ASN 78 HB2 ASN 78 5.192 26.896 -1.969 603 HB3 ASN 78 HB1 ASN 78 5.097 25.654 -0.725 604 HD21 ASN 78 HD21 ASN 78 4.651 26.218 1.349 605 HD22 ASN 78 HD22 ASN 78 4.243 27.824 1.838 606 H GLU 79 HN GLU 79 5.953 24.370 -1.806 607 HA GLU 79 HA GLU 79 7.325 24.066 -4.252 608 HB2 GLU 79 HB2 GLU 79 8.560 21.928 -3.528 609 HB3 GLU 79 HB1 GLU 79 9.287 23.476 -3.119 610 HG2 GLU 79 HG2 GLU 79 8.707 23.285 -0.865 611 HG3 GLU 79 HG1 GLU 79 7.529 22.013 -1.185 612 H VAL 80 HN VAL 80 6.914 21.878 -5.230 613 HA VAL 80 HA VAL 80 4.366 20.799 -4.213 614 HB VAL 80 HB VAL 80 4.090 21.954 -6.351 615 HG11 VAL 80 HG11 VAL 80 5.162 21.130 -8.381 616 HG12 VAL 80 HG12 VAL 80 6.066 19.950 -7.433 617 HG13 VAL 80 HG13 VAL 80 6.362 21.674 -7.208 618 HG21 VAL 80 HG21 VAL 80 2.914 20.230 -7.525 619 HG22 VAL 80 HG22 VAL 80 2.753 19.921 -5.797 620 HG23 VAL 80 HG23 VAL 80 3.887 18.974 -6.760 621 H VAL 81 HN VAL 81 3.959 18.527 -4.668 622 HA VAL 81 HA VAL 81 6.407 16.945 -4.879 623 HB VAL 81 HB VAL 81 4.041 16.226 -3.157 624 HG11 VAL 81 HG11 VAL 81 6.097 14.806 -2.184 625 HG12 VAL 81 HG12 VAL 81 6.587 14.912 -3.875 626 HG13 VAL 81 HG13 VAL 81 5.025 14.210 -3.451 627 HG21 VAL 81 HG21 VAL 81 4.825 17.888 -1.843 628 HG22 VAL 81 HG22 VAL 81 6.414 17.889 -2.608 629 HG23 VAL 81 HG23 VAL 81 6.022 16.675 -1.390 630 HA PRO 82 HA PRO 82 4.139 15.439 -8.501 631 HB2 PRO 82 HB2 PRO 82 6.366 13.458 -8.254 632 HB3 PRO 82 HB1 PRO 82 5.762 14.294 -9.691 633 HG2 PRO 82 HG2 PRO 82 8.010 15.094 -8.551 634 HG3 PRO 82 HG1 PRO 82 6.833 16.289 -9.131 635 HD2 PRO 82 HD2 PRO 82 7.411 15.393 -6.341 636 HD3 PRO 82 HD1 PRO 82 6.999 17.013 -6.943 637 H LYS 83 HN LYS 83 2.296 14.669 -7.450 638 HA LYS 83 HA LYS 83 2.004 12.669 -5.623 639 HB2 LYS 83 HB2 LYS 83 0.185 13.066 -8.002 640 HB3 LYS 83 HB1 LYS 83 -0.247 12.343 -6.458 641 HG2 LYS 83 HG2 LYS 83 -1.020 14.384 -5.975 642 HG3 LYS 83 HG1 LYS 83 0.674 14.762 -5.655 643 HD2 LYS 83 HD2 LYS 83 0.320 16.429 -7.131 644 HD3 LYS 83 HD1 LYS 83 0.569 15.157 -8.330 645 HE2 LYS 83 HE2 LYS 83 -2.007 14.780 -7.998 646 HE3 LYS 83 HE1 LYS 83 -1.962 16.444 -7.417 647 HZ1 LYS 83 HZ1 LYS 83 -1.586 15.407 -10.106 648 HZ2 LYS 83 HZ2 LYS 83 -0.570 16.684 -9.661 649 HZ3 LYS 83 HZ3 LYS 83 -2.249 16.878 -9.594 650 HA PRO 84 HA PRO 84 3.967 9.289 -7.958 651 HB2 PRO 84 HB2 PRO 84 3.275 7.885 -5.434 652 HB3 PRO 84 HB1 PRO 84 4.814 7.955 -6.297 653 HG2 PRO 84 HG2 PRO 84 4.449 9.330 -4.043 654 HG3 PRO 84 HG1 PRO 84 5.381 10.012 -5.390 655 HD2 PRO 84 HD2 PRO 84 2.583 10.609 -4.523 656 HD3 PRO 84 HD1 PRO 84 3.832 11.710 -5.139 657 H GLN 85 HN GLN 85 3.190 6.728 -7.662 658 HA GLN 85 HA GLN 85 0.394 6.797 -8.558 659 HB2 GLN 85 HB2 GLN 85 2.740 5.067 -9.204 660 HB3 GLN 85 HB1 GLN 85 1.129 4.372 -9.330 661 HG2 GLN 85 HG2 GLN 85 1.363 5.135 -11.448 662 HG3 GLN 85 HG1 GLN 85 0.677 6.580 -10.708 663 HE21 GLN 85 HE21 GLN 85 3.174 5.364 -12.549 664 HE22 GLN 85 HE22 GLN 85 4.261 6.703 -12.445 665 H ARG 86 HN ARG 86 -0.288 6.883 -6.294 666 HA ARG 86 HA ARG 86 0.188 4.568 -4.637 667 HB2 ARG 86 HB2 ARG 86 -1.871 6.703 -4.123 668 HB3 ARG 86 HB1 ARG 86 -1.032 5.692 -2.955 669 HG2 ARG 86 HG2 ARG 86 1.050 6.863 -3.409 670 HG3 ARG 86 HG1 ARG 86 0.238 7.855 -4.622 671 HD2 ARG 86 HD2 ARG 86 -0.608 7.747 -1.735 672 HD3 ARG 86 HD1 ARG 86 0.547 8.923 -2.359 673 HE ARG 86 HE ARG 86 -1.928 8.866 -3.813 674 HH11 ARG 86 HH11 ARG 86 -0.280 10.191 -1.036 675 HH12 ARG 86 HH12 ARG 86 -1.302 11.585 -0.939 676 HH21 ARG 86 HH21 ARG 86 -3.272 10.700 -3.687 677 HH22 ARG 86 HH22 ARG 86 -3.001 11.875 -2.443 678 H HIS 87 HN HIS 87 -1.198 2.912 -4.202 679 HA HIS 87 HA HIS 87 -3.789 2.912 -5.595 680 HB2 HIS 87 HB2 HIS 87 -3.162 0.281 -5.693 681 HB3 HIS 87 HB1 HIS 87 -2.844 1.409 -7.006 682 HD1 HIS 87 HD1 HIS 87 -0.416 1.912 -7.560 683 HD2 HIS 87 HD2 HIS 87 -0.867 -0.473 -4.188 684 HE1 HIS 87 HE1 HIS 87 1.893 1.078 -7.013 685 HE2 HIS 87 HE2 HIS 87 1.577 -0.448 -5.034 686 H MET 88 HN MET 88 -5.472 1.890 -4.564 687 HA MET 88 HA MET 88 -4.928 0.999 -1.804 688 HB2 MET 88 HB2 MET 88 -6.232 3.167 -2.142 689 HB3 MET 88 HB1 MET 88 -7.532 2.169 -2.776 690 HG2 MET 88 HG2 MET 88 -7.793 1.052 -0.683 691 HG3 MET 88 HG1 MET 88 -6.342 1.817 -0.036 692 HE1 MET 88 HE1 MET 88 -7.175 2.525 1.933 693 HE2 MET 88 HE2 MET 88 -8.925 2.638 2.069 694 HE3 MET 88 HE3 MET 88 -7.948 4.092 2.170 695 H PHE 89 HN PHE 89 -5.206 -1.102 -1.550 696 HA PHE 89 HA PHE 89 -6.911 -2.599 -3.388 697 HB2 PHE 89 HB2 PHE 89 -4.475 -3.122 -1.995 698 HB3 PHE 89 HB1 PHE 89 -5.671 -4.290 -1.455 699 HD1 PHE 89 HD1 PHE 89 -7.213 -5.024 -3.660 700 HD2 PHE 89 HD2 PHE 89 -3.097 -3.959 -3.606 701 HE1 PHE 89 HE1 PHE 89 -6.857 -6.321 -5.719 702 HE2 PHE 89 HE2 PHE 89 -2.730 -5.254 -5.664 703 HZ PHE 89 HZ PHE 89 -4.613 -6.434 -6.722 704 H SER 90 HN SER 90 -8.940 -3.146 -2.840 705 HA SER 90 HA SER 90 -9.653 -3.073 0.021 706 HB2 SER 90 HB2 SER 90 -10.618 -1.347 -1.658 707 HB3 SER 90 HB1 SER 90 -11.631 -2.686 -2.196 708 HG SER 90 HG SER 90 -11.806 -1.170 0.064 709 H PHE 91 HN PHE 91 -10.822 -4.672 0.915 710 HA PHE 91 HA PHE 91 -11.956 -6.761 -0.760 711 HB2 PHE 91 HB2 PHE 91 -10.677 -8.110 1.407 712 HB3 PHE 91 HB1 PHE 91 -10.442 -8.324 -0.324 713 HD1 PHE 91 HD2 PHE 91 -8.929 -6.452 -1.421 714 HD2 PHE 91 HD1 PHE 91 -8.809 -7.596 2.672 715 HE1 PHE 91 HE2 PHE 91 -6.634 -5.616 -1.262 716 HE2 PHE 91 HE1 PHE 91 -6.498 -6.760 2.831 717 HZ PHE 91 HZ PHE 91 -5.412 -5.771 0.863 718 H ASN 92 HN ASN 92 -13.166 -8.394 0.695 719 HA ASN 92 HA ASN 92 -14.692 -6.793 2.608 720 HB2 ASN 92 HB2 ASN 92 -15.311 -9.338 1.119 721 HB3 ASN 92 HB1 ASN 92 -16.338 -8.727 2.413 722 HD21 ASN 92 HD21 ASN 92 -15.465 -8.478 -0.865 723 HD22 ASN 92 HD22 ASN 92 -16.514 -7.173 -1.289 724 H ASN 93 HN ASN 93 -12.048 -8.274 3.165 725 HA ASN 93 HA ASN 93 -13.052 -9.717 5.522 726 HB2 ASN 93 HB2 ASN 93 -11.088 -10.552 3.480 727 HB3 ASN 93 HB1 ASN 93 -10.646 -10.889 5.151 728 HD21 ASN 93 HD21 ASN 93 -11.556 -12.565 6.164 729 HD22 ASN 93 HD22 ASN 93 -12.799 -13.564 5.501 730 H ARG 94 HN ARG 94 -12.643 -8.539 7.250 731 HA ARG 94 HA ARG 94 -10.536 -6.607 7.355 732 HB2 ARG 94 HB2 ARG 94 -12.170 -7.654 9.668 733 HB3 ARG 94 HB1 ARG 94 -11.318 -6.119 9.571 734 HG2 ARG 94 HG2 ARG 94 -12.953 -5.128 8.369 735 HG3 ARG 94 HG1 ARG 94 -13.370 -6.610 7.507 736 HD2 ARG 94 HD2 ARG 94 -14.371 -7.444 9.665 737 HD3 ARG 94 HD1 ARG 94 -14.154 -5.815 10.304 738 HE ARG 94 HE ARG 94 -15.530 -5.398 8.014 739 HH11 ARG 94 HH11 ARG 94 -16.049 -7.490 10.759 740 HH12 ARG 94 HH12 ARG 94 -17.774 -7.456 10.617 741 HH21 ARG 94 HH21 ARG 94 -17.799 -5.352 7.826 742 HH22 ARG 94 HH22 ARG 94 -18.768 -6.243 8.951 743 H THR 95 HN THR 95 -10.886 -9.932 8.245 744 HA THR 95 HA THR 95 -8.585 -9.949 9.991 745 HB THR 95 HB THR 95 -10.813 -11.613 9.587 746 HG1 THR 95 HG1 THR 95 -9.938 -12.676 11.400 747 HG21 THR 95 HG21 THR 95 -9.651 -12.946 7.945 748 HG22 THR 95 HG22 THR 95 -9.826 -13.849 9.450 749 HG23 THR 95 HG23 THR 95 -8.273 -13.126 9.030 750 H VAL 96 HN VAL 96 -9.383 -10.879 6.695 751 HA VAL 96 HA VAL 96 -6.934 -12.170 6.108 752 HB VAL 96 HB VAL 96 -9.240 -12.144 4.810 753 HG11 VAL 96 HG11 VAL 96 -7.677 -10.083 3.265 754 HG12 VAL 96 HG12 VAL 96 -9.102 -9.744 4.246 755 HG13 VAL 96 HG13 VAL 96 -9.236 -10.782 2.828 756 HG21 VAL 96 HG21 VAL 96 -6.807 -12.253 3.082 757 HG22 VAL 96 HG22 VAL 96 -8.208 -13.324 3.117 758 HG23 VAL 96 HG23 VAL 96 -7.003 -13.406 4.403 759 H MET 97 HN MET 97 -8.070 -8.851 5.722 760 HA MET 97 HA MET 97 -5.871 -7.902 4.248 761 HB2 MET 97 HB2 MET 97 -6.623 -5.636 5.128 762 HB3 MET 97 HB1 MET 97 -7.806 -6.566 4.229 763 HG2 MET 97 HG2 MET 97 -9.216 -6.441 5.903 764 HG3 MET 97 HG1 MET 97 -8.070 -7.245 6.964 765 HE1 MET 97 HE1 MET 97 -5.990 -3.671 7.322 766 HE2 MET 97 HE2 MET 97 -5.780 -5.260 6.601 767 HE3 MET 97 HE3 MET 97 -5.941 -5.103 8.347 768 H ASP 98 HN ASP 98 -6.536 -7.511 7.733 769 HA ASP 98 HA ASP 98 -4.117 -6.263 8.355 770 HB2 ASP 98 HB2 ASP 98 -6.282 -6.486 9.749 771 HB3 ASP 98 HB1 ASP 98 -5.583 -7.998 10.320 772 H ASN 99 HN ASN 99 -4.789 -9.597 7.774 773 HA ASN 99 HA ASN 99 -2.573 -10.626 9.264 774 HB2 ASN 99 HB2 ASN 99 -4.586 -11.737 7.377 775 HB3 ASN 99 HB1 ASN 99 -3.090 -12.641 7.589 776 HD21 ASN 99 HD21 ASN 99 -5.996 -13.000 8.423 777 HD22 ASN 99 HD22 ASN 99 -5.892 -13.415 10.097 778 H ILE 100 HN ILE 100 -3.081 -9.654 5.915 779 HA ILE 100 HA ILE 100 -0.459 -10.619 5.149 780 HB ILE 100 HB ILE 100 -2.391 -10.778 3.603 781 HG12 ILE 100 HG12 ILE 100 0.024 -9.190 2.727 782 HG13 ILE 100 HG11 ILE 100 -0.184 -10.938 2.676 783 HG21 ILE 100 HG21 ILE 100 -2.656 -8.025 4.226 784 HG22 ILE 100 HG22 ILE 100 -3.696 -9.035 3.223 785 HG23 ILE 100 HG23 ILE 100 -2.342 -8.170 2.497 786 HD11 ILE 100 HD11 ILE 100 -1.952 -10.651 0.992 787 HD12 ILE 100 HD12 ILE 100 -0.394 -10.008 0.467 788 HD13 ILE 100 HD13 ILE 100 -1.661 -8.908 1.018 789 H LYS 101 HN LYS 101 -1.902 -7.577 6.110 790 HA LYS 101 HA LYS 101 0.135 -5.917 5.012 791 HB2 LYS 101 HB2 LYS 101 -0.870 -4.156 6.300 792 HB3 LYS 101 HB1 LYS 101 -2.146 -5.130 5.602 793 HG2 LYS 101 HG2 LYS 101 -2.969 -4.897 7.691 794 HG3 LYS 101 HG1 LYS 101 -2.020 -6.364 7.921 795 HD2 LYS 101 HD2 LYS 101 -1.736 -4.671 9.729 796 HD3 LYS 101 HD1 LYS 101 -0.230 -5.115 8.930 797 HE2 LYS 101 HE2 LYS 101 -0.451 -3.096 7.515 798 HE3 LYS 101 HE1 LYS 101 -1.868 -2.631 8.454 799 HZ1 LYS 101 HZ1 LYS 101 0.738 -3.144 9.750 800 HZ2 LYS 101 HZ2 LYS 101 -0.582 -2.272 10.346 801 HZ3 LYS 101 HZ3 LYS 101 0.363 -1.627 9.102 802 H MET 102 HN MET 102 -0.402 -7.523 8.069 803 HA MET 102 HA MET 102 1.629 -6.287 9.561 804 HB2 MET 102 HB2 MET 102 0.104 -8.837 9.769 805 HB3 MET 102 HB1 MET 102 1.564 -8.677 10.736 806 HG2 MET 102 HG2 MET 102 0.650 -6.588 11.692 807 HG3 MET 102 HG1 MET 102 -0.841 -6.870 10.794 808 HE1 MET 102 HE1 MET 102 -2.556 -7.928 13.908 809 HE2 MET 102 HE2 MET 102 -2.906 -7.939 12.180 810 HE3 MET 102 HE3 MET 102 -2.099 -6.550 12.908 811 H THR 103 HN THR 103 1.693 -8.898 7.239 812 HA THR 103 HA THR 103 4.462 -9.550 7.841 813 HB THR 103 HB THR 103 2.636 -10.631 5.689 814 HG1 THR 103 HG1 THR 103 1.770 -11.337 7.531 815 HG21 THR 103 HG21 THR 103 5.366 -10.931 5.865 816 HG22 THR 103 HG22 THR 103 4.247 -11.986 5.000 817 HG23 THR 103 HG23 THR 103 4.733 -12.378 6.650 818 H LEU 104 HN LEU 104 2.609 -7.908 5.332 819 HA LEU 104 HA LEU 104 4.921 -7.576 3.640 820 HB2 LEU 104 HB2 LEU 104 3.495 -6.820 2.036 821 HB3 LEU 104 HB1 LEU 104 2.371 -7.745 3.010 822 HG LEU 104 HG LEU 104 2.031 -5.377 4.189 823 HD11 LEU 104 HD11 LEU 104 2.219 -3.542 2.719 824 HD12 LEU 104 HD12 LEU 104 2.592 -4.582 1.344 825 HD13 LEU 104 HD13 LEU 104 3.769 -4.379 2.641 826 HD21 LEU 104 HD21 LEU 104 0.475 -6.967 2.792 827 HD22 LEU 104 HD22 LEU 104 0.677 -5.723 1.559 828 HD23 LEU 104 HD23 LEU 104 -0.001 -5.304 3.132 829 H GLN 105 HN GLN 105 3.233 -5.704 6.054 830 HA GLN 105 HA GLN 105 4.395 -3.190 5.404 831 HB2 GLN 105 HB2 GLN 105 2.314 -3.475 6.749 832 HB3 GLN 105 HB1 GLN 105 3.294 -4.104 8.066 833 HG2 GLN 105 HG2 GLN 105 4.370 -1.603 7.212 834 HG3 GLN 105 HG1 GLN 105 2.640 -1.427 7.501 835 HE21 GLN 105 HE21 GLN 105 2.284 -0.666 9.446 836 HE22 GLN 105 HE22 GLN 105 3.120 -1.113 10.890 837 H GLN 106 HN GLN 106 5.138 -5.615 7.900 838 HA GLN 106 HA GLN 106 7.236 -4.356 9.163 839 HB2 GLN 106 HB2 GLN 106 8.097 -6.697 9.615 840 HB3 GLN 106 HB1 GLN 106 6.433 -6.381 10.089 841 HG2 GLN 106 HG2 GLN 106 5.966 -8.275 9.019 842 HG3 GLN 106 HG1 GLN 106 6.120 -7.313 7.549 843 HE21 GLN 106 HE21 GLN 106 8.486 -8.646 9.831 844 HE22 GLN 106 HE22 GLN 106 9.398 -9.512 8.646 845 H ILE 107 HN ILE 107 7.289 -6.205 6.149 846 HA ILE 107 HA ILE 107 10.029 -6.379 5.787 847 HB ILE 107 HB ILE 107 7.652 -6.728 4.165 848 HG12 ILE 107 HG12 ILE 107 10.384 -7.923 3.784 849 HG13 ILE 107 HG11 ILE 107 9.326 -8.397 5.112 850 HG21 ILE 107 HG21 ILE 107 8.863 -6.535 1.970 851 HG22 ILE 107 HG22 ILE 107 10.087 -5.588 2.814 852 HG23 ILE 107 HG23 ILE 107 8.423 -5.009 2.733 853 HD11 ILE 107 HD11 ILE 107 9.305 -9.835 3.009 854 HD12 ILE 107 HD12 ILE 107 8.407 -8.513 2.263 855 HD13 ILE 107 HD13 ILE 107 7.748 -9.340 3.675 856 H ILE 108 HN ILE 108 7.824 -3.891 4.463 857 HA ILE 108 HA ILE 108 9.649 -2.302 3.190 858 HB ILE 108 HB ILE 108 7.463 -1.104 4.869 859 HG12 ILE 108 HG12 ILE 108 6.403 -2.904 3.682 860 HG13 ILE 108 HG11 ILE 108 6.008 -1.410 2.843 861 HG21 ILE 108 HG21 ILE 108 7.786 0.771 3.696 862 HG22 ILE 108 HG22 ILE 108 7.962 -0.099 2.172 863 HG23 ILE 108 HG23 ILE 108 9.341 0.058 3.262 864 HD11 ILE 108 HD11 ILE 108 6.773 -2.267 0.963 865 HD12 ILE 108 HD12 ILE 108 7.191 -3.758 1.807 866 HD13 ILE 108 HD13 ILE 108 8.371 -2.453 1.685 867 H SER 109 HN SER 109 8.703 -2.074 6.567 868 HA SER 109 HA SER 109 10.416 0.000 7.313 869 HB2 SER 109 HB2 SER 109 8.501 -1.007 8.659 870 HB3 SER 109 HB1 SER 109 9.621 -2.289 9.118 871 HG SER 109 HG SER 109 10.767 -0.896 10.295 872 H ARG 110 HN ARG 110 10.996 -3.396 6.815 873 HA ARG 110 HA ARG 110 13.594 -3.337 8.081 874 HB2 ARG 110 HB2 ARG 110 13.414 -5.573 8.098 875 HB3 ARG 110 HB1 ARG 110 11.772 -5.343 7.523 876 HG2 ARG 110 HG2 ARG 110 12.523 -5.606 5.223 877 HG3 ARG 110 HG1 ARG 110 14.188 -5.786 5.778 878 HD2 ARG 110 HD2 ARG 110 12.220 -7.592 7.021 879 HD3 ARG 110 HD1 ARG 110 12.515 -7.853 5.303 880 HE ARG 110 HE ARG 110 14.940 -7.611 6.787 881 HH11 ARG 110 HH11 ARG 110 12.380 -9.826 5.939 882 HH12 ARG 110 HH12 ARG 110 13.361 -11.237 6.150 883 HH21 ARG 110 HH21 ARG 110 16.232 -9.466 7.065 884 HH22 ARG 110 HH22 ARG 110 15.548 -11.034 6.790 885 H TYR 111 HN TYR 111 12.331 -3.678 4.767 886 HA TYR 111 HA TYR 111 14.798 -3.758 3.454 887 HB2 TYR 111 HB2 TYR 111 12.000 -3.144 2.683 888 HB3 TYR 111 HB1 TYR 111 13.255 -2.575 1.589 889 HD1 TYR 111 HD2 TYR 111 13.715 -5.642 3.546 890 HD2 TYR 111 HD1 TYR 111 12.513 -4.032 -0.205 891 HE1 TYR 111 HE2 TYR 111 13.855 -7.883 2.546 892 HE2 TYR 111 HE1 TYR 111 12.648 -6.269 -1.214 893 HH TYR 111 HH TYR 111 14.231 -8.622 -0.269 894 H LYS 112 HN LYS 112 12.739 -0.988 4.286 895 HA LYS 112 HA LYS 112 14.166 1.037 3.045 896 HB2 LYS 112 HB2 LYS 112 12.578 1.004 5.605 897 HB3 LYS 112 HB1 LYS 112 13.294 2.480 4.975 898 HG2 LYS 112 HG2 LYS 112 11.131 0.795 3.756 899 HG3 LYS 112 HG1 LYS 112 11.056 2.482 4.261 900 HD2 LYS 112 HD2 LYS 112 11.306 2.800 2.020 901 HD3 LYS 112 HD1 LYS 112 13.010 2.696 2.470 902 HE2 LYS 112 HE2 LYS 112 12.599 0.121 2.075 903 HE3 LYS 112 HE1 LYS 112 11.289 0.719 1.057 904 HZ1 LYS 112 HZ1 LYS 112 12.811 1.900 -0.285 905 HZ2 LYS 112 HZ2 LYS 112 13.467 0.354 -0.089 906 HZ3 LYS 112 HZ3 LYS 112 14.089 1.654 0.796 907 H ASP 113 HN ASP 113 14.882 -0.726 5.951 908 HA ASP 113 HA ASP 113 16.842 1.041 6.980 909 HB2 ASP 113 HB2 ASP 113 15.557 -0.892 8.156 910 HB3 ASP 113 HB1 ASP 113 16.857 -1.903 7.534 911 H ALA 114 HN ALA 114 16.894 -0.888 4.250 912 HA ALA 114 HA ALA 114 19.834 -0.848 4.237 913 HB1 ALA 114 HB1 ALA 114 18.550 -3.023 2.727 914 HB2 ALA 114 HB2 ALA 114 18.448 -3.142 4.484 915 HB3 ALA 114 HB3 ALA 114 20.023 -3.025 3.698 916 H ASP 115 HN ASP 115 16.926 -1.160 2.208 917 HA ASP 115 HA ASP 115 18.117 -0.608 -0.252 918 HB2 ASP 115 HB2 ASP 115 15.820 -1.481 0.008 919 HB3 ASP 115 HB1 ASP 115 15.307 0.082 0.639 920 H2 PRO 59 HT1 PRO 59 -12.781 4.515 -6.719 921 H3 PRO 59 HT2 PRO 59 -11.812 5.568 -5.906 922 HA PRO 59 HA PRO 59 -11.013 6.451 -7.615 923 HB2 PRO 59 HB2 PRO 59 -10.951 4.493 -9.670 924 HB3 PRO 59 HB1 PRO 59 -9.584 5.151 -8.762 925 HG2 PRO 59 HG2 PRO 59 -11.134 2.660 -8.307 926 HG3 PRO 59 HG1 PRO 59 -9.427 3.002 -7.974 927 HD2 PRO 59 HD2 PRO 59 -11.195 2.856 -5.983 928 HD3 PRO 59 HD1 PRO 59 -9.908 4.077 -5.959 929 H GLY 60 HN GLY 60 -13.749 6.284 -6.975 930 HA2 GLY 60 HA2 GLY 60 -14.965 7.411 -9.186 931 HA3 GLY 60 HA1 GLY 60 -15.342 5.696 -9.263 932 H GLU 61 HN GLU 61 -16.963 4.909 -8.040 933 HA GLU 61 HA GLU 61 -17.900 6.337 -5.706 934 HB2 GLU 61 HB2 GLU 61 -19.346 6.369 -8.303 935 HB3 GLU 61 HB1 GLU 61 -20.311 6.137 -6.851 936 HG2 GLU 61 HG2 GLU 61 -20.354 8.346 -6.682 937 HG3 GLU 61 HG1 GLU 61 -18.664 8.243 -6.190 938 H GLU 62 HN GLU 62 -17.131 4.262 -4.879 939 HA GLU 62 HA GLU 62 -18.633 1.889 -5.562 940 HB2 GLU 62 HB2 GLU 62 -16.695 2.221 -3.275 941 HB3 GLU 62 HB1 GLU 62 -17.187 0.726 -4.058 942 HG2 GLU 62 HG2 GLU 62 -15.957 2.694 -5.846 943 HG3 GLU 62 HG1 GLU 62 -14.897 2.074 -4.581 944 H GLU 63 HN GLU 63 -17.996 3.471 -2.430 945 HA GLU 63 HA GLU 63 -20.795 2.933 -1.689 946 HB2 GLU 63 HB2 GLU 63 -18.795 1.523 -0.621 947 HB3 GLU 63 HB1 GLU 63 -18.712 2.925 0.436 948 HG2 GLU 63 HG2 GLU 63 -20.585 2.374 1.521 949 HG3 GLU 63 HG1 GLU 63 -21.414 1.880 0.046 950 H ASP 64 HN ASP 64 -17.901 4.867 -1.014 951 HA ASP 64 HA ASP 64 -19.273 7.317 -1.028 952 HB2 ASP 64 HB2 ASP 64 -19.958 6.108 1.231 953 HB3 ASP 64 HB1 ASP 64 -18.400 6.732 1.767 954 H ASP 65 HN ASP 65 -16.643 5.797 0.837 955 HA ASP 65 HA ASP 65 -14.354 6.013 0.342 956 HB2 ASP 65 HB2 ASP 65 -14.927 7.444 -1.709 957 HB3 ASP 65 HB1 ASP 65 -14.835 8.829 -0.625 958 H GLU 66 HN GLU 66 -16.201 6.741 2.475 959 HA GLU 66 HA GLU 66 -14.266 8.009 4.209 960 HB2 GLU 66 HB2 GLU 66 -15.808 9.684 5.065 961 HB3 GLU 66 HB1 GLU 66 -15.573 9.908 3.337 962 HG2 GLU 66 HG2 GLU 66 -17.700 8.879 2.870 963 HG3 GLU 66 HG1 GLU 66 -17.927 8.500 4.576 964 H ARG 67 HN ARG 67 -16.111 5.478 3.686 965 HA ARG 67 HA ARG 67 -16.716 5.116 6.513 966 HB2 ARG 67 HB2 ARG 67 -18.479 4.559 4.160 967 HB3 ARG 67 HB1 ARG 67 -18.651 3.610 5.630 968 HG2 ARG 67 HG2 ARG 67 -18.952 6.594 5.370 969 HG3 ARG 67 HG1 ARG 67 -20.238 5.415 5.639 970 HD2 ARG 67 HD2 ARG 67 -18.560 4.845 7.696 971 HD3 ARG 67 HD1 ARG 67 -18.311 6.582 7.526 972 HE ARG 67 HE ARG 67 -21.001 6.352 7.521 973 HH11 ARG 67 HH11 ARG 67 -18.520 5.162 9.667 974 HH12 ARG 67 HH12 ARG 67 -19.538 5.202 11.068 975 HH21 ARG 67 HH21 ARG 67 -22.341 6.406 9.362 976 HH22 ARG 67 HH22 ARG 67 -21.707 5.907 10.895 977 H GLY 68 HN GLY 68 -15.601 3.775 3.538 978 HA2 GLY 68 HA2 GLY 68 -14.579 1.478 5.007 979 HA3 GLY 68 HA1 GLY 68 -15.435 1.206 3.499 980 H ALA 69 HN ALA 69 -13.640 4.098 3.637 981 HA ALA 69 HA ALA 69 -11.190 2.953 2.592 982 HB1 ALA 69 HB1 ALA 69 -12.380 3.025 0.552 983 HB2 ALA 69 HB2 ALA 69 -11.326 4.439 0.548 984 HB3 ALA 69 HB3 ALA 69 -13.043 4.619 0.910 985 H ASP 70 HN ASP 70 -11.114 4.119 4.886 986 HA ASP 70 HA ASP 70 -9.891 6.712 4.375 987 HB2 ASP 70 HB2 ASP 70 -12.307 7.039 5.071 988 HB3 ASP 70 HB1 ASP 70 -11.854 6.369 6.635 989 H ALA 71 HN ALA 71 -10.588 4.255 6.790 990 HA ALA 71 HA ALA 71 -8.519 4.986 8.580 991 HB1 ALA 71 HB1 ALA 71 -10.656 3.253 8.657 992 HB2 ALA 71 HB2 ALA 71 -9.427 3.434 9.916 993 HB3 ALA 71 HB3 ALA 71 -9.265 2.172 8.691 994 H THR 72 HN THR 72 -6.744 5.232 7.015 995 HA THR 72 HA THR 72 -5.049 2.952 7.073 996 HB THR 72 HB THR 72 -4.702 3.289 4.446 997 HG1 THR 72 HG1 THR 72 -7.460 3.695 4.928 998 HG21 THR 72 HG21 THR 72 -6.589 1.359 4.349 999 HG22 THR 72 HG22 THR 72 -6.119 1.320 6.047 1000 HG23 THR 72 HG23 THR 72 -4.902 1.114 4.790 1001 H TRP 73 HN TRP 73 -5.615 6.127 5.675 1002 HA TRP 73 HA TRP 73 -2.804 6.687 5.432 1003 HB2 TRP 73 HB2 TRP 73 -4.835 8.881 5.460 1004 HB3 TRP 73 HB1 TRP 73 -3.371 8.733 4.503 1005 HD1 TRP 73 HD1 TRP 73 -6.201 9.508 3.289 1006 HE1 TRP 73 HE1 TRP 73 -7.202 8.088 1.397 1007 HE3 TRP 73 HE3 TRP 73 -3.618 5.193 4.067 1008 HZ2 TRP 73 HZ2 TRP 73 -6.922 5.484 0.374 1009 HZ3 TRP 73 HZ3 TRP 73 -4.035 3.275 2.591 1010 HH2 TRP 73 HH2 TRP 73 -5.669 3.404 0.803 1011 H ASP 74 HN ASP 74 -2.743 5.931 7.862 1012 HA ASP 74 HA ASP 74 -2.027 8.187 9.391 1013 HB2 ASP 74 HB2 ASP 74 -4.655 8.045 9.472 1014 HB3 ASP 74 HB1 ASP 74 -4.337 6.789 10.664 1015 H LEU 75 HN LEU 75 -3.470 5.071 10.166 1016 HA LEU 75 HA LEU 75 -1.838 4.380 12.248 1017 HB2 LEU 75 HB2 LEU 75 -2.371 2.004 11.766 1018 HB3 LEU 75 HB1 LEU 75 -3.758 3.063 11.879 1019 HG LEU 75 HG LEU 75 -3.906 1.337 10.090 1020 HD11 LEU 75 HD11 LEU 75 -5.186 2.681 8.800 1021 HD12 LEU 75 HD12 LEU 75 -3.924 3.902 8.635 1022 HD13 LEU 75 HD13 LEU 75 -4.880 3.818 10.114 1023 HD21 LEU 75 HD21 LEU 75 -2.109 2.914 8.350 1024 HD22 LEU 75 HD22 LEU 75 -2.491 1.192 8.328 1025 HD23 LEU 75 HD23 LEU 75 -1.362 1.826 9.518 1026 H ASP 76 HN ASP 76 -1.018 4.450 8.923 1027 HA ASP 76 HA ASP 76 1.438 2.945 9.462 1028 HB2 ASP 76 HB2 ASP 76 -0.369 2.943 7.270 1029 HB3 ASP 76 HB1 ASP 76 1.171 3.567 6.687 1030 H LEU 77 HN LEU 77 2.974 3.931 7.337 1031 HA LEU 77 HA LEU 77 4.452 5.565 6.801 1032 HB2 LEU 77 HB2 LEU 77 2.057 7.170 7.585 1033 HB3 LEU 77 HB1 LEU 77 3.582 7.991 7.310 1034 HG LEU 77 HG LEU 77 3.395 6.439 5.070 1035 HD11 LEU 77 HD11 LEU 77 1.293 5.619 5.065 1036 HD12 LEU 77 HD12 LEU 77 0.915 7.216 4.419 1037 HD13 LEU 77 HD13 LEU 77 0.678 6.880 6.134 1038 HD21 LEU 77 HD21 LEU 77 3.369 8.426 3.984 1039 HD22 LEU 77 HD22 LEU 77 3.678 9.044 5.607 1040 HD23 LEU 77 HD23 LEU 77 2.040 9.064 4.953 1041 H LEU 78 HN LEU 78 5.527 4.486 8.710 1042 HA LEU 78 HA LEU 78 6.824 6.408 10.276 1043 HB2 LEU 78 HB2 LEU 78 5.967 5.477 12.526 1044 HB3 LEU 78 HB1 LEU 78 5.012 6.684 11.687 1045 HG LEU 78 HG LEU 78 3.729 4.650 10.707 1046 HD11 LEU 78 HD11 LEU 78 3.664 2.761 12.355 1047 HD12 LEU 78 HD12 LEU 78 5.131 3.428 13.073 1048 HD13 LEU 78 HD13 LEU 78 5.143 2.871 11.400 1049 HD21 LEU 78 HD21 LEU 78 3.206 6.387 12.688 1050 HD22 LEU 78 HD22 LEU 78 3.158 4.874 13.593 1051 HD23 LEU 78 HD23 LEU 78 2.098 5.104 12.202 1052 H LEU 79 HN LEU 79 7.962 4.615 8.772 1053 HA LEU 79 HA LEU 79 8.683 2.308 10.430 1054 HB2 LEU 79 HB2 LEU 79 9.616 2.708 7.614 1055 HB3 LEU 79 HB1 LEU 79 9.365 1.212 8.492 1056 HG LEU 79 HG LEU 79 6.832 2.049 8.430 1057 HD11 LEU 79 HD11 LEU 79 8.243 3.581 6.324 1058 HD12 LEU 79 HD12 LEU 79 6.808 3.994 7.261 1059 HD13 LEU 79 HD13 LEU 79 6.684 2.871 5.907 1060 HD21 LEU 79 HD21 LEU 79 7.125 -0.043 7.581 1061 HD22 LEU 79 HD22 LEU 79 8.478 0.440 6.557 1062 HD23 LEU 79 HD23 LEU 79 6.826 0.826 6.076 1063 H THR 80 HN THR 80 11.187 1.769 9.308 1064 HA THR 80 HA THR 80 12.944 3.061 10.960 1065 HB THR 80 HB THR 80 13.625 1.072 9.823 1066 HG1 THR 80 HG1 THR 80 15.645 1.669 9.277 1067 HG21 THR 80 HG21 THR 80 13.834 0.755 7.540 1068 HG22 THR 80 HG22 THR 80 13.810 2.486 7.198 1069 HG23 THR 80 HG23 THR 80 12.328 1.663 7.686 1070 H ASN 81 HN ASN 81 13.561 5.105 11.130 1071 HA ASN 81 HA ASN 81 13.662 6.754 8.689 1072 HB2 ASN 81 HB2 ASN 81 13.368 8.667 10.491 1073 HB3 ASN 81 HB1 ASN 81 11.973 7.815 9.837 1074 HD21 ASN 81 HD21 ASN 81 10.794 6.478 11.143 1075 HD22 ASN 81 HD22 ASN 81 11.030 6.372 12.851 1076 H PHE 82 HN PHE 82 14.895 6.894 12.038 1077 HA PHE 82 HA PHE 82 17.622 6.976 11.079 1078 HB2 PHE 82 HB2 PHE 82 18.119 9.120 12.259 1079 HB3 PHE 82 HB1 PHE 82 17.069 9.313 10.858 1080 HD1 PHE 82 HD1 PHE 82 17.272 9.432 14.507 1081 HD2 PHE 82 HD2 PHE 82 14.762 9.959 11.112 1082 HE1 PHE 82 HE1 PHE 82 15.619 10.590 15.915 1083 HE2 PHE 82 HE2 PHE 82 13.104 11.119 12.513 1084 HZ PHE 82 HZ PHE 82 13.532 11.436 14.917 1085 H SER 83 HN SER 83 15.483 7.455 13.874 1086 HA SER 83 HA SER 83 16.929 5.452 15.362 1087 HB2 SER 83 HB2 SER 83 17.523 6.875 17.243 1088 HB3 SER 83 HB1 SER 83 18.262 7.512 15.774 1089 HG SER 83 HG SER 83 16.767 8.824 17.436 1090 H GLY 84 HN GLY 84 14.803 8.212 16.147 1091 HA2 GLY 84 HA2 GLY 84 12.395 6.902 16.313 1092 HA3 GLY 84 HA1 GLY 84 13.168 6.610 17.864 1093 HA PRO 85 HA PRO 85 11.744 10.382 19.609 1094 HB2 PRO 85 HB2 PRO 85 14.585 11.147 20.093 1095 HB3 PRO 85 HB1 PRO 85 13.228 11.081 21.224 1096 HG2 PRO 85 HG2 PRO 85 15.099 9.189 21.241 1097 HG3 PRO 85 HG1 PRO 85 13.390 8.782 21.491 1098 HD2 PRO 85 HD2 PRO 85 15.099 8.398 19.075 1099 HD3 PRO 85 HD1 PRO 85 13.795 7.375 19.712
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